USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 182 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -1.08 (180deg=-1.04) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.806 (180deg=-0.77) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -1.39 (180deg=-1.24) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -1.19 (180deg=-1.03) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.491 5.014 -8.246 1.00 0.00 P ATOM 2 OP1 DT A 1 5.751 5.615 -9.565 1.00 0.00 O ATOM 3 OP2 DT A 1 4.246 4.244 -8.013 1.00 0.00 O ATOM 4 O5' DT A 1 6.672 3.997 -7.927 1.00 0.00 O ATOM 5 C5' DT A 1 7.976 4.425 -7.598 1.00 0.00 C ATOM 6 C4' DT A 1 8.905 3.245 -7.382 1.00 0.00 C ATOM 7 O4' DT A 1 9.494 3.084 -8.658 1.00 0.00 O ATOM 8 C3' DT A 1 8.200 1.911 -7.128 1.00 0.00 C ATOM 9 O3' DT A 1 9.098 0.893 -6.726 1.00 0.00 O ATOM 10 C2' DT A 1 7.830 1.423 -8.534 1.00 0.00 C ATOM 11 C1' DT A 1 8.549 2.386 -9.478 1.00 0.00 C ATOM 12 N1 DT A 1 9.309 1.612 -10.475 1.00 0.00 N ATOM 13 C2 DT A 1 8.827 1.498 -11.769 1.00 0.00 C ATOM 14 O2 DT A 1 7.769 1.975 -12.153 1.00 0.00 O ATOM 15 N3 DT A 1 9.603 0.784 -12.645 1.00 0.00 N ATOM 16 C4 DT A 1 10.792 0.163 -12.346 1.00 0.00 C ATOM 17 O4 DT A 1 11.381 -0.433 -13.240 1.00 0.00 O ATOM 18 C5 DT A 1 11.215 0.282 -10.957 1.00 0.00 C ATOM 19 C7 DT A 1 12.496 -0.378 -10.464 1.00 0.00 C ATOM 20 C6 DT A 1 10.459 0.994 -10.084 1.00 0.00 C ATOM 0 H5' DT A 1 7.944 5.035 -6.695 1.00 0.00 H new ATOM 0 H5'' DT A 1 8.366 5.056 -8.396 1.00 0.00 H new ATOM 0 H4' DT A 1 9.546 3.448 -6.524 1.00 0.00 H new ATOM 0 H3' DT A 1 7.412 2.064 -6.391 1.00 0.00 H new ATOM 0 H2' DT A 1 8.154 0.395 -8.695 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.752 1.446 -8.690 1.00 0.00 H new ATOM 0 H1' DT A 1 7.850 3.049 -9.987 1.00 0.00 H new ATOM 0 H3 DT A 1 9.268 0.707 -13.605 1.00 0.00 H new ATOM 0 H71 DT A 1 12.915 0.207 -9.646 1.00 0.00 H new ATOM 0 H72 DT A 1 12.274 -1.386 -10.113 1.00 0.00 H new ATOM 0 H73 DT A 1 13.217 -0.429 -11.280 1.00 0.00 H new ATOM 0 H6 DT A 1 10.776 1.073 -9.055 1.00 0.00 H new ATOM 33 P DG A 2 9.845 0.925 -5.312 1.00 0.00 P ATOM 34 OP1 DG A 2 10.957 1.889 -5.370 1.00 0.00 O ATOM 35 OP2 DG A 2 10.112 -0.484 -4.924 1.00 0.00 O ATOM 36 O5' DG A 2 8.706 1.511 -4.334 1.00 0.00 O ATOM 37 C5' DG A 2 9.007 2.130 -3.097 1.00 0.00 C ATOM 38 C4' DG A 2 8.464 1.341 -1.904 1.00 0.00 C ATOM 39 O4' DG A 2 7.077 1.595 -1.893 1.00 0.00 O ATOM 40 C3' DG A 2 8.703 -0.164 -1.985 1.00 0.00 C ATOM 41 O3' DG A 2 9.071 -0.688 -0.726 1.00 0.00 O ATOM 42 C2' DG A 2 7.373 -0.680 -2.534 1.00 0.00 C ATOM 43 C1' DG A 2 6.369 0.419 -2.182 1.00 0.00 C ATOM 44 N9 DG A 2 5.416 0.679 -3.273 1.00 0.00 N ATOM 45 C8 DG A 2 5.634 0.798 -4.622 1.00 0.00 C ATOM 46 N7 DG A 2 4.567 1.122 -5.307 1.00 0.00 N ATOM 47 C5 DG A 2 3.574 1.225 -4.326 1.00 0.00 C ATOM 48 C6 DG A 2 2.203 1.605 -4.411 1.00 0.00 C ATOM 49 O6 DG A 2 1.603 1.980 -5.416 1.00 0.00 O ATOM 50 N1 DG A 2 1.548 1.576 -3.202 1.00 0.00 N ATOM 51 C2 DG A 2 2.159 1.269 -2.027 1.00 0.00 C ATOM 52 N2 DG A 2 1.441 1.315 -0.935 1.00 0.00 N ATOM 53 N3 DG A 2 3.443 0.970 -1.904 1.00 0.00 N ATOM 54 C4 DG A 2 4.091 0.957 -3.088 1.00 0.00 C ATOM 0 H5' DG A 2 8.587 3.136 -3.085 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.088 2.234 -2.999 1.00 0.00 H new ATOM 0 H4' DG A 2 8.982 1.659 -0.999 1.00 0.00 H new ATOM 0 H3' DG A 2 9.535 -0.466 -2.621 1.00 0.00 H new ATOM 0 H2' DG A 2 7.423 -0.843 -3.611 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.097 -1.632 -2.080 1.00 0.00 H new ATOM 0 H1' DG A 2 5.791 0.085 -1.320 1.00 0.00 H new ATOM 0 H8 DG A 2 6.600 0.639 -5.078 1.00 0.00 H new ATOM 0 H1 DG A 2 0.552 1.796 -3.186 1.00 0.00 H new ATOM 0 H21 DG A 2 1.866 1.091 -0.035 1.00 0.00 H new ATOM 0 H22 DG A 2 0.456 1.575 -0.983 1.00 0.00 H new ATOM 66 P DC A 3 9.330 -2.254 -0.539 1.00 0.00 P ATOM 67 OP1 DC A 3 10.101 -2.523 0.699 1.00 0.00 O ATOM 68 OP2 DC A 3 9.781 -2.812 -1.839 1.00 0.00 O ATOM 69 O5' DC A 3 7.856 -2.754 -0.227 1.00 0.00 O ATOM 70 C5' DC A 3 7.143 -2.143 0.829 1.00 0.00 C ATOM 71 C4' DC A 3 5.688 -2.566 0.888 1.00 0.00 C ATOM 72 O4' DC A 3 5.062 -1.951 -0.207 1.00 0.00 O ATOM 73 C3' DC A 3 5.472 -4.073 0.743 1.00 0.00 C ATOM 74 O3' DC A 3 5.097 -4.675 1.960 1.00 0.00 O ATOM 75 C2' DC A 3 4.287 -4.136 -0.199 1.00 0.00 C ATOM 76 C1' DC A 3 3.902 -2.681 -0.432 1.00 0.00 C ATOM 77 N1 DC A 3 3.517 -2.452 -1.824 1.00 0.00 N ATOM 78 C2 DC A 3 2.265 -1.953 -2.084 1.00 0.00 C ATOM 79 O2 DC A 3 1.536 -1.623 -1.160 1.00 0.00 O ATOM 80 N3 DC A 3 1.841 -1.817 -3.364 1.00 0.00 N ATOM 81 C4 DC A 3 2.662 -2.166 -4.340 1.00 0.00 C ATOM 82 N4 DC A 3 2.188 -2.030 -5.555 1.00 0.00 N ATOM 83 C5 DC A 3 3.988 -2.637 -4.110 1.00 0.00 C ATOM 84 C6 DC A 3 4.372 -2.754 -2.832 1.00 0.00 C ATOM 0 H5' DC A 3 7.196 -1.060 0.716 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.625 -2.389 1.775 1.00 0.00 H new ATOM 0 H4' DC A 3 5.291 -2.280 1.862 1.00 0.00 H new ATOM 0 H3' DC A 3 6.373 -4.586 0.408 1.00 0.00 H new ATOM 0 H2' DC A 3 4.550 -4.631 -1.134 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.462 -4.699 0.239 1.00 0.00 H new ATOM 0 H1' DC A 3 3.068 -2.405 0.212 1.00 0.00 H new ATOM 0 H41 DC A 3 2.765 -2.280 -6.358 1.00 0.00 H new ATOM 0 H42 DC A 3 1.242 -1.675 -5.697 1.00 0.00 H new ATOM 0 H5 DC A 3 4.650 -2.887 -4.926 1.00 0.00 H new ATOM 0 H6 DC A 3 5.372 -3.092 -2.602 1.00 0.00 H new ATOM 96 P DT A 4 6.180 -5.302 2.961 1.00 0.00 P ATOM 97 OP1 DT A 4 7.427 -4.499 2.906 1.00 0.00 O ATOM 98 OP2 DT A 4 6.257 -6.751 2.700 1.00 0.00 O ATOM 99 O5' DT A 4 5.494 -5.076 4.393 1.00 0.00 O ATOM 100 C5' DT A 4 5.477 -3.810 5.024 1.00 0.00 C ATOM 101 C4' DT A 4 4.592 -3.828 6.290 1.00 0.00 C ATOM 102 O4' DT A 4 3.247 -3.599 5.908 1.00 0.00 O ATOM 103 C3' DT A 4 4.605 -5.148 7.088 1.00 0.00 C ATOM 104 O3' DT A 4 4.184 -5.085 8.444 1.00 0.00 O ATOM 105 C2' DT A 4 3.443 -5.890 6.438 1.00 0.00 C ATOM 106 C1' DT A 4 2.469 -4.725 6.261 1.00 0.00 C ATOM 107 N1 DT A 4 1.457 -4.990 5.216 1.00 0.00 N ATOM 108 C2 DT A 4 0.253 -5.544 5.617 1.00 0.00 C ATOM 109 O2 DT A 4 0.007 -5.878 6.769 1.00 0.00 O ATOM 110 N3 DT A 4 -0.700 -5.721 4.648 1.00 0.00 N ATOM 111 C4 DT A 4 -0.571 -5.373 3.327 1.00 0.00 C ATOM 112 O4 DT A 4 -1.526 -5.543 2.578 1.00 0.00 O ATOM 113 C5 DT A 4 0.718 -4.806 2.966 1.00 0.00 C ATOM 114 C7 DT A 4 0.991 -4.371 1.537 1.00 0.00 C ATOM 115 C6 DT A 4 1.680 -4.642 3.906 1.00 0.00 C ATOM 0 H5' DT A 4 5.105 -3.059 4.328 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.493 -3.521 5.292 1.00 0.00 H new ATOM 0 H4' DT A 4 5.008 -3.056 6.937 1.00 0.00 H new ATOM 0 H3' DT A 4 5.621 -5.542 7.078 1.00 0.00 H new ATOM 0 H2' DT A 4 3.719 -6.353 5.491 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.041 -6.679 7.074 1.00 0.00 H new ATOM 0 H1' DT A 4 1.915 -4.566 7.186 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.581 -6.148 4.933 1.00 0.00 H new ATOM 0 H71 DT A 4 1.701 -3.544 1.538 1.00 0.00 H new ATOM 0 H72 DT A 4 1.409 -5.207 0.976 1.00 0.00 H new ATOM 0 H73 DT A 4 0.060 -4.050 1.070 1.00 0.00 H new ATOM 0 H6 DT A 4 2.637 -4.231 3.621 1.00 0.00 H new ATOM 128 P DC A 5 4.760 -4.073 9.537 1.00 0.00 P ATOM 129 OP1 DC A 5 4.469 -4.669 10.863 1.00 0.00 O ATOM 130 OP2 DC A 5 4.258 -2.714 9.241 1.00 0.00 O ATOM 131 O5' DC A 5 6.340 -4.036 9.361 1.00 0.00 O ATOM 132 C5' DC A 5 7.111 -3.166 10.170 1.00 0.00 C ATOM 133 C4' DC A 5 8.540 -3.038 9.642 1.00 0.00 C ATOM 134 O4' DC A 5 9.246 -4.258 9.795 1.00 0.00 O ATOM 135 C3' DC A 5 8.582 -2.673 8.150 1.00 0.00 C ATOM 136 O3' DC A 5 9.086 -1.371 7.929 1.00 0.00 O ATOM 137 C2' DC A 5 9.530 -3.726 7.579 1.00 0.00 C ATOM 138 C1' DC A 5 10.250 -4.259 8.809 1.00 0.00 C ATOM 139 N1 DC A 5 10.753 -5.629 8.563 1.00 0.00 N ATOM 140 C2 DC A 5 12.112 -5.811 8.351 1.00 0.00 C ATOM 141 O2 DC A 5 12.885 -4.861 8.391 1.00 0.00 O ATOM 142 N3 DC A 5 12.584 -7.054 8.093 1.00 0.00 N ATOM 143 C4 DC A 5 11.747 -8.070 8.030 1.00 0.00 C ATOM 144 N4 DC A 5 12.271 -9.244 7.762 1.00 0.00 N ATOM 145 C5 DC A 5 10.346 -7.930 8.214 1.00 0.00 C ATOM 146 C6 DC A 5 9.892 -6.686 8.480 1.00 0.00 C ATOM 0 H5' DC A 5 7.131 -3.540 11.194 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.642 -2.182 10.199 1.00 0.00 H new ATOM 0 H4' DC A 5 9.002 -2.241 10.226 1.00 0.00 H new ATOM 0 H3' DC A 5 7.593 -2.667 7.691 1.00 0.00 H new ATOM 0 H2' DC A 5 8.987 -4.515 7.058 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.227 -3.292 6.862 1.00 0.00 H new ATOM 0 H1' DC A 5 11.121 -3.668 9.091 1.00 0.00 H new ATOM 0 H41 DC A 5 11.672 -10.068 7.700 1.00 0.00 H new ATOM 0 H42 DC A 5 13.277 -9.332 7.615 1.00 0.00 H new ATOM 0 H5 DC A 5 9.677 -8.775 8.145 1.00 0.00 H new ATOM 0 H6 DC A 5 8.835 -6.525 8.629 1.00 0.00 H new ATOM 158 P DG A 6 8.080 -0.198 7.499 1.00 0.00 P ATOM 159 OP1 DG A 6 8.812 1.063 7.197 1.00 0.00 O ATOM 160 OP2 DG A 6 6.917 -0.181 8.422 1.00 0.00 O ATOM 161 O5' DG A 6 7.508 -0.756 6.116 1.00 0.00 O ATOM 162 C5' DG A 6 8.341 -1.193 5.060 1.00 0.00 C ATOM 163 C4' DG A 6 7.926 -0.521 3.753 1.00 0.00 C ATOM 164 O4' DG A 6 6.587 -0.904 3.512 1.00 0.00 O ATOM 165 C3' DG A 6 8.011 0.996 3.866 1.00 0.00 C ATOM 166 O3' DG A 6 8.664 1.582 2.760 1.00 0.00 O ATOM 167 C2' DG A 6 6.558 1.415 4.071 1.00 0.00 C ATOM 168 C1' DG A 6 5.734 0.208 3.616 1.00 0.00 C ATOM 169 N9 DG A 6 4.624 -0.079 4.539 1.00 0.00 N ATOM 170 C8 DG A 6 4.582 -0.003 5.901 1.00 0.00 C ATOM 171 N7 DG A 6 3.443 -0.342 6.438 1.00 0.00 N ATOM 172 C5 DG A 6 2.657 -0.663 5.319 1.00 0.00 C ATOM 173 C6 DG A 6 1.301 -1.107 5.188 1.00 0.00 C ATOM 174 O6 DG A 6 0.478 -1.351 6.064 1.00 0.00 O ATOM 175 N1 DG A 6 0.905 -1.267 3.877 1.00 0.00 N ATOM 176 C2 DG A 6 1.707 -1.037 2.806 1.00 0.00 C ATOM 177 N2 DG A 6 1.176 -1.160 1.617 1.00 0.00 N ATOM 178 N3 DG A 6 2.970 -0.658 2.887 1.00 0.00 N ATOM 179 C4 DG A 6 3.381 -0.496 4.165 1.00 0.00 C ATOM 0 H5' DG A 6 8.275 -2.276 4.958 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.381 -0.957 5.285 1.00 0.00 H new ATOM 0 H4' DG A 6 8.588 -0.825 2.942 1.00 0.00 H new ATOM 0 H3' DG A 6 8.633 1.345 4.691 1.00 0.00 H new ATOM 0 H2' DG A 6 6.360 1.658 5.115 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.316 2.302 3.486 1.00 0.00 H new ATOM 0 H1' DG A 6 5.288 0.433 2.647 1.00 0.00 H new ATOM 0 H8 DG A 6 5.429 0.314 6.491 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.050 -1.578 3.701 1.00 0.00 H new ATOM 0 H21 DG A 6 1.744 -0.996 0.786 1.00 0.00 H new ATOM 0 H22 DG A 6 0.194 -1.420 1.521 1.00 0.00 H new ATOM 191 P DC A 7 8.835 3.168 2.682 1.00 0.00 P ATOM 192 OP1 DC A 7 9.858 3.549 1.676 1.00 0.00 O ATOM 193 OP2 DC A 7 8.912 3.671 4.080 1.00 0.00 O ATOM 194 O5' DC A 7 7.447 3.570 2.015 1.00 0.00 O ATOM 195 C5' DC A 7 7.048 2.914 0.821 1.00 0.00 C ATOM 196 C4' DC A 7 5.615 3.210 0.435 1.00 0.00 C ATOM 197 O4' DC A 7 4.833 2.548 1.392 1.00 0.00 O ATOM 198 C3' DC A 7 5.259 4.691 0.509 1.00 0.00 C ATOM 199 O3' DC A 7 5.104 5.251 -0.768 1.00 0.00 O ATOM 200 C2' DC A 7 3.904 4.674 1.182 1.00 0.00 C ATOM 201 C1' DC A 7 3.607 3.193 1.395 1.00 0.00 C ATOM 202 N1 DC A 7 3.025 2.952 2.718 1.00 0.00 N ATOM 203 C2 DC A 7 1.829 2.283 2.794 1.00 0.00 C ATOM 204 O2 DC A 7 1.326 1.816 1.784 1.00 0.00 O ATOM 205 N3 DC A 7 1.207 2.141 3.989 1.00 0.00 N ATOM 206 C4 DC A 7 1.785 2.642 5.068 1.00 0.00 C ATOM 207 N4 DC A 7 1.132 2.482 6.193 1.00 0.00 N ATOM 208 C5 DC A 7 3.045 3.306 5.034 1.00 0.00 C ATOM 209 C6 DC A 7 3.635 3.419 3.835 1.00 0.00 C ATOM 0 H5' DC A 7 7.170 1.838 0.946 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.708 3.218 0.008 1.00 0.00 H new ATOM 0 H4' DC A 7 5.452 2.893 -0.595 1.00 0.00 H new ATOM 0 H3' DC A 7 6.027 5.271 1.020 1.00 0.00 H new ATOM 0 H2' DC A 7 3.923 5.216 2.128 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.145 5.146 0.559 1.00 0.00 H new ATOM 0 H1' DC A 7 2.917 2.848 0.625 1.00 0.00 H new ATOM 0 H41 DC A 7 1.520 2.844 7.064 1.00 0.00 H new ATOM 0 H42 DC A 7 0.235 1.996 6.197 1.00 0.00 H new ATOM 0 H5 DC A 7 3.503 3.699 5.930 1.00 0.00 H new ATOM 0 H6 DC A 7 4.606 3.887 3.759 1.00 0.00 H new ATOM 221 P DT A 8 6.316 5.965 -1.510 1.00 0.00 P ATOM 222 OP1 DT A 8 7.590 5.257 -1.225 1.00 0.00 O ATOM 223 OP2 DT A 8 6.204 7.408 -1.190 1.00 0.00 O ATOM 224 O5' DT A 8 5.880 5.755 -3.032 1.00 0.00 O ATOM 225 C5' DT A 8 6.091 4.547 -3.742 1.00 0.00 C ATOM 226 C4' DT A 8 5.343 4.603 -5.088 1.00 0.00 C ATOM 227 O4' DT A 8 3.972 4.246 -4.956 1.00 0.00 O ATOM 228 C3' DT A 8 5.403 6.009 -5.726 1.00 0.00 C ATOM 229 O3' DT A 8 5.639 6.155 -7.120 1.00 0.00 O ATOM 230 C2' DT A 8 4.036 6.571 -5.370 1.00 0.00 C ATOM 231 C1' DT A 8 3.159 5.329 -5.380 1.00 0.00 C ATOM 232 N1 DT A 8 1.974 5.442 -4.507 1.00 0.00 N ATOM 233 C2 DT A 8 0.787 5.857 -5.094 1.00 0.00 C ATOM 234 O2 DT A 8 0.695 6.236 -6.253 1.00 0.00 O ATOM 235 N3 DT A 8 -0.336 5.819 -4.313 1.00 0.00 N ATOM 236 C4 DT A 8 -0.390 5.392 -3.013 1.00 0.00 C ATOM 237 O4 DT A 8 -1.475 5.369 -2.446 1.00 0.00 O ATOM 238 C5 DT A 8 0.890 4.992 -2.448 1.00 0.00 C ATOM 239 C7 DT A 8 0.957 4.492 -1.019 1.00 0.00 C ATOM 240 C6 DT A 8 2.019 5.033 -3.199 1.00 0.00 C ATOM 0 H5' DT A 8 5.738 3.700 -3.153 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.157 4.395 -3.912 1.00 0.00 H new ATOM 0 H4' DT A 8 5.851 3.882 -5.728 1.00 0.00 H new ATOM 0 H3' DT A 8 6.291 6.512 -5.342 1.00 0.00 H new ATOM 0 H2' DT A 8 4.039 7.058 -4.395 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.700 7.311 -6.096 1.00 0.00 H new ATOM 0 H1' DT A 8 2.769 5.183 -6.387 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.208 6.136 -4.736 1.00 0.00 H new ATOM 0 H71 DT A 8 1.774 3.777 -0.921 1.00 0.00 H new ATOM 0 H72 DT A 8 1.128 5.333 -0.347 1.00 0.00 H new ATOM 0 H73 DT A 8 0.017 4.005 -0.759 1.00 0.00 H new ATOM 0 H6 DT A 8 2.963 4.741 -2.762 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -4.266 -4.095 -9.403 1.00 0.00 P ATOM 255 OP1 DT B 1 -4.209 -4.581 -10.793 1.00 0.00 O ATOM 256 OP2 DT B 1 -3.152 -3.276 -8.868 1.00 0.00 O ATOM 257 O5' DT B 1 -5.580 -3.203 -9.263 1.00 0.00 O ATOM 258 C5' DT B 1 -5.658 -1.961 -9.928 1.00 0.00 C ATOM 259 C4' DT B 1 -7.056 -1.348 -9.778 1.00 0.00 C ATOM 260 O4' DT B 1 -7.940 -2.018 -10.671 1.00 0.00 O ATOM 261 C3' DT B 1 -7.675 -1.431 -8.374 1.00 0.00 C ATOM 262 O3' DT B 1 -8.418 -0.236 -8.177 1.00 0.00 O ATOM 263 C2' DT B 1 -8.575 -2.649 -8.496 1.00 0.00 C ATOM 264 C1' DT B 1 -9.029 -2.558 -9.945 1.00 0.00 C ATOM 265 N1 DT B 1 -9.366 -3.907 -10.458 1.00 0.00 N ATOM 266 C2 DT B 1 -10.705 -4.211 -10.654 1.00 0.00 C ATOM 267 O2 DT B 1 -11.622 -3.422 -10.478 1.00 0.00 O ATOM 268 N3 DT B 1 -10.993 -5.486 -11.069 1.00 0.00 N ATOM 269 C4 DT B 1 -10.081 -6.485 -11.295 1.00 0.00 C ATOM 270 O4 DT B 1 -10.491 -7.582 -11.655 1.00 0.00 O ATOM 271 C5 DT B 1 -8.693 -6.109 -11.070 1.00 0.00 C ATOM 272 C7 DT B 1 -7.569 -7.121 -11.250 1.00 0.00 C ATOM 273 C6 DT B 1 -8.387 -4.851 -10.667 1.00 0.00 C ATOM 0 H5' DT B 1 -5.426 -2.094 -10.985 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.912 -1.279 -9.522 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.927 -0.288 -9.995 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.980 -1.522 -7.539 1.00 0.00 H new ATOM 0 H2' DT B 1 -8.038 -3.576 -8.293 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.414 -2.608 -7.801 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.918 -1.935 -10.044 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.976 -5.712 -11.224 1.00 0.00 H new ATOM 0 H71 DT B 1 -6.661 -6.605 -11.563 1.00 0.00 H new ATOM 0 H72 DT B 1 -7.387 -7.634 -10.306 1.00 0.00 H new ATOM 0 H73 DT B 1 -7.853 -7.849 -12.010 1.00 0.00 H new ATOM 0 H6 DT B 1 -7.353 -4.584 -10.507 1.00 0.00 H new ATOM 286 P DG B 2 -9.124 0.088 -6.781 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.357 -0.703 -6.634 1.00 0.00 O ATOM 288 OP2 DG B 2 -9.170 1.556 -6.542 1.00 0.00 O ATOM 289 O5' DG B 2 -8.014 -0.483 -5.787 1.00 0.00 O ATOM 290 C5' DG B 2 -8.277 -1.502 -4.852 1.00 0.00 C ATOM 291 C4' DG B 2 -7.927 -0.990 -3.463 1.00 0.00 C ATOM 292 O4' DG B 2 -6.562 -1.256 -3.246 1.00 0.00 O ATOM 293 C3' DG B 2 -8.169 0.506 -3.328 1.00 0.00 C ATOM 294 O3' DG B 2 -8.699 0.738 -2.052 1.00 0.00 O ATOM 295 C2' DG B 2 -6.782 1.094 -3.581 1.00 0.00 C ATOM 296 C1' DG B 2 -5.834 -0.056 -3.242 1.00 0.00 C ATOM 297 N9 DG B 2 -4.714 -0.181 -4.187 1.00 0.00 N ATOM 298 C8 DG B 2 -4.703 -0.159 -5.562 1.00 0.00 C ATOM 299 N7 DG B 2 -3.533 -0.431 -6.083 1.00 0.00 N ATOM 300 C5 DG B 2 -2.722 -0.658 -4.965 1.00 0.00 C ATOM 301 C6 DG B 2 -1.362 -1.066 -4.856 1.00 0.00 C ATOM 302 O6 DG B 2 -0.607 -1.367 -5.779 1.00 0.00 O ATOM 303 N1 DG B 2 -0.919 -1.172 -3.557 1.00 0.00 N ATOM 304 C2 DG B 2 -1.721 -0.984 -2.476 1.00 0.00 C ATOM 305 N2 DG B 2 -1.196 -1.157 -1.291 1.00 0.00 N ATOM 306 N3 DG B 2 -3.006 -0.664 -2.542 1.00 0.00 N ATOM 307 C4 DG B 2 -3.441 -0.509 -3.813 1.00 0.00 C ATOM 0 H5' DG B 2 -7.691 -2.391 -5.086 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.327 -1.792 -4.895 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.561 -1.490 -2.731 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.887 0.957 -4.013 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.666 1.417 -4.616 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.596 1.965 -2.953 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.407 0.156 -2.262 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.577 0.062 -6.156 1.00 0.00 H new ATOM 0 H1 DG B 2 0.061 -1.404 -3.398 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.767 -1.025 -0.456 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.216 -1.424 -1.202 1.00 0.00 H new ATOM 319 P DC B 3 -9.117 2.200 -1.617 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.003 1.999 -0.441 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.575 2.939 -2.817 1.00 0.00 O ATOM 322 O5' DC B 3 -7.751 2.777 -1.068 1.00 0.00 O ATOM 323 C5' DC B 3 -7.086 2.054 -0.052 1.00 0.00 C ATOM 324 C4' DC B 3 -5.680 2.529 0.255 1.00 0.00 C ATOM 325 O4' DC B 3 -4.873 2.036 -0.781 1.00 0.00 O ATOM 326 C3' DC B 3 -5.508 4.047 0.269 1.00 0.00 C ATOM 327 O3' DC B 3 -5.349 4.546 1.575 1.00 0.00 O ATOM 328 C2' DC B 3 -4.193 4.231 -0.458 1.00 0.00 C ATOM 329 C1' DC B 3 -3.722 2.814 -0.757 1.00 0.00 C ATOM 330 N1 DC B 3 -3.119 2.723 -2.088 1.00 0.00 N ATOM 331 C2 DC B 3 -1.843 2.229 -2.197 1.00 0.00 C ATOM 332 O2 DC B 3 -1.279 1.780 -1.211 1.00 0.00 O ATOM 333 N3 DC B 3 -1.211 2.235 -3.395 1.00 0.00 N ATOM 334 C4 DC B 3 -1.861 2.704 -4.448 1.00 0.00 C ATOM 335 N4 DC B 3 -1.190 2.704 -5.574 1.00 0.00 N ATOM 336 C5 DC B 3 -3.210 3.165 -4.385 1.00 0.00 C ATOM 337 C6 DC B 3 -3.798 3.145 -3.182 1.00 0.00 C ATOM 0 H5' DC B 3 -7.044 1.004 -0.342 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.680 2.109 0.861 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.423 2.177 1.254 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.367 4.559 -0.165 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.323 4.808 -1.374 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.471 4.768 0.157 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.986 2.501 -0.017 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.627 3.051 -6.428 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.231 2.357 -5.596 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.731 3.513 -5.265 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.824 3.468 -3.083 1.00 0.00 H new ATOM 349 P DT B 4 -6.601 5.042 2.437 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.764 4.158 2.163 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.752 6.493 2.234 1.00 0.00 O ATOM 352 O5' DT B 4 -6.081 4.774 3.930 1.00 0.00 O ATOM 353 C5' DT B 4 -6.137 3.490 4.518 1.00 0.00 C ATOM 354 C4' DT B 4 -5.458 3.460 5.905 1.00 0.00 C ATOM 355 O4' DT B 4 -4.055 3.259 5.793 1.00 0.00 O ATOM 356 C3' DT B 4 -5.661 4.752 6.725 1.00 0.00 C ATOM 357 O3' DT B 4 -5.562 4.674 8.142 1.00 0.00 O ATOM 358 C2' DT B 4 -4.421 5.543 6.324 1.00 0.00 C ATOM 359 C1' DT B 4 -3.390 4.419 6.266 1.00 0.00 C ATOM 360 N1 DT B 4 -2.234 4.727 5.396 1.00 0.00 N ATOM 361 C2 DT B 4 -1.099 5.246 5.999 1.00 0.00 C ATOM 362 O2 DT B 4 -1.019 5.493 7.195 1.00 0.00 O ATOM 363 N3 DT B 4 -0.013 5.471 5.194 1.00 0.00 N ATOM 364 C4 DT B 4 0.055 5.201 3.851 1.00 0.00 C ATOM 365 O4 DT B 4 1.108 5.416 3.259 1.00 0.00 O ATOM 366 C5 DT B 4 -1.163 4.655 3.275 1.00 0.00 C ATOM 367 C7 DT B 4 -1.218 4.302 1.800 1.00 0.00 C ATOM 368 C6 DT B 4 -2.254 4.443 4.052 1.00 0.00 C ATOM 0 H5' DT B 4 -5.652 2.769 3.861 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.178 3.181 4.617 1.00 0.00 H new ATOM 0 H4' DT B 4 -5.940 2.630 6.422 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.667 5.122 6.525 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.541 6.047 5.365 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.161 6.308 7.056 1.00 0.00 H new ATOM 0 H1' DT B 4 -2.980 4.276 7.266 1.00 0.00 H new ATOM 0 H3 DT B 4 0.816 5.874 5.631 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.913 3.476 1.649 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.555 5.168 1.231 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.225 4.008 1.459 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.154 4.044 3.607 1.00 0.00 H new ATOM 381 P DC B 5 -5.907 3.377 9.005 1.00 0.00 P ATOM 382 OP1 DC B 5 -6.186 3.773 10.404 1.00 0.00 O ATOM 383 OP2 DC B 5 -4.903 2.330 8.719 1.00 0.00 O ATOM 384 O5' DC B 5 -7.327 2.878 8.487 1.00 0.00 O ATOM 385 C5' DC B 5 -7.767 1.560 8.754 1.00 0.00 C ATOM 386 C4' DC B 5 -9.291 1.525 8.629 1.00 0.00 C ATOM 387 O4' DC B 5 -9.878 2.557 9.419 1.00 0.00 O ATOM 388 C3' DC B 5 -9.740 1.748 7.177 1.00 0.00 C ATOM 389 O3' DC B 5 -10.414 0.627 6.637 1.00 0.00 O ATOM 390 C2' DC B 5 -10.712 2.916 7.290 1.00 0.00 C ATOM 391 C1' DC B 5 -11.085 2.901 8.767 1.00 0.00 C ATOM 392 N1 DC B 5 -11.557 4.235 9.216 1.00 0.00 N ATOM 393 C2 DC B 5 -12.887 4.378 9.587 1.00 0.00 C ATOM 394 O2 DC B 5 -13.658 3.427 9.541 1.00 0.00 O ATOM 395 N3 DC B 5 -13.333 5.584 10.009 1.00 0.00 N ATOM 396 C4 DC B 5 -12.509 6.610 10.049 1.00 0.00 C ATOM 397 N4 DC B 5 -13.013 7.748 10.466 1.00 0.00 N ATOM 398 C5 DC B 5 -11.145 6.519 9.664 1.00 0.00 C ATOM 399 C6 DC B 5 -10.711 5.312 9.246 1.00 0.00 C ATOM 0 H5' DC B 5 -7.461 1.254 9.754 1.00 0.00 H new ATOM 0 H5'' DC B 5 -7.313 0.859 8.053 1.00 0.00 H new ATOM 0 H4' DC B 5 -9.614 0.541 8.970 1.00 0.00 H new ATOM 0 H3' DC B 5 -8.890 1.925 6.518 1.00 0.00 H new ATOM 0 H2' DC B 5 -10.248 3.858 6.999 1.00 0.00 H new ATOM 0 H2'' DC B 5 -11.584 2.780 6.651 1.00 0.00 H new ATOM 0 H1' DC B 5 -11.898 2.208 8.982 1.00 0.00 H new ATOM 0 H41 DC B 5 -12.423 8.578 10.519 1.00 0.00 H new ATOM 0 H42 DC B 5 -13.995 7.802 10.737 1.00 0.00 H new ATOM 0 H5 DC B 5 -10.487 7.375 9.704 1.00 0.00 H new ATOM 0 H6 DC B 5 -9.685 5.193 8.931 1.00 0.00 H new ATOM 411 P DG B 6 -9.570 -0.645 6.146 1.00 0.00 P ATOM 412 OP1 DG B 6 -10.423 -1.569 5.347 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.783 -1.168 7.275 1.00 0.00 O ATOM 414 O5' DG B 6 -8.555 0.059 5.128 1.00 0.00 O ATOM 415 C5' DG B 6 -9.017 0.851 4.053 1.00 0.00 C ATOM 416 C4' DG B 6 -8.342 0.392 2.767 1.00 0.00 C ATOM 417 O4' DG B 6 -6.981 0.763 2.812 1.00 0.00 O ATOM 418 C3' DG B 6 -8.443 -1.113 2.596 1.00 0.00 C ATOM 419 O3' DG B 6 -8.861 -1.362 1.276 1.00 0.00 O ATOM 420 C2' DG B 6 -7.052 -1.611 2.968 1.00 0.00 C ATOM 421 C1' DG B 6 -6.164 -0.381 2.782 1.00 0.00 C ATOM 422 N9 DG B 6 -5.162 -0.243 3.848 1.00 0.00 N ATOM 423 C8 DG B 6 -5.317 -0.347 5.208 1.00 0.00 C ATOM 424 N7 DG B 6 -4.256 -0.002 5.888 1.00 0.00 N ATOM 425 C5 DG B 6 -3.340 0.360 4.898 1.00 0.00 C ATOM 426 C6 DG B 6 -2.027 0.904 4.992 1.00 0.00 C ATOM 427 O6 DG B 6 -1.455 1.260 6.019 1.00 0.00 O ATOM 428 N1 DG B 6 -1.421 1.090 3.774 1.00 0.00 N ATOM 429 C2 DG B 6 -2.042 0.868 2.585 1.00 0.00 C ATOM 430 N2 DG B 6 -1.343 1.083 1.499 1.00 0.00 N ATOM 431 N3 DG B 6 -3.298 0.460 2.459 1.00 0.00 N ATOM 432 C4 DG B 6 -3.885 0.210 3.653 1.00 0.00 C ATOM 0 H5' DG B 6 -8.796 1.902 4.239 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.100 0.764 3.961 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.845 0.864 1.923 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.172 -1.634 3.217 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.019 -1.977 3.994 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.736 -2.433 2.326 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.639 -0.493 1.833 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.232 -0.683 5.673 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.453 1.412 3.760 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.764 0.931 0.583 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.377 1.403 1.569 1.00 0.00 H new ATOM 444 P DC B 7 -9.184 -2.838 0.805 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.913 -2.670 -0.479 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.790 -3.558 1.951 1.00 0.00 O ATOM 447 O5' DC B 7 -7.743 -3.381 0.427 1.00 0.00 O ATOM 448 C5' DC B 7 -7.000 -2.651 -0.535 1.00 0.00 C ATOM 449 C4' DC B 7 -5.543 -3.034 -0.675 1.00 0.00 C ATOM 450 O4' DC B 7 -4.907 -2.479 0.444 1.00 0.00 O ATOM 451 C3' DC B 7 -5.261 -4.535 -0.651 1.00 0.00 C ATOM 452 O3' DC B 7 -4.911 -5.026 -1.916 1.00 0.00 O ATOM 453 C2' DC B 7 -4.024 -4.620 0.215 1.00 0.00 C ATOM 454 C1' DC B 7 -3.712 -3.173 0.573 1.00 0.00 C ATOM 455 N1 DC B 7 -3.316 -3.047 1.978 1.00 0.00 N ATOM 456 C2 DC B 7 -2.143 -2.400 2.274 1.00 0.00 C ATOM 457 O2 DC B 7 -1.502 -1.871 1.378 1.00 0.00 O ATOM 458 N3 DC B 7 -1.706 -2.338 3.557 1.00 0.00 N ATOM 459 C4 DC B 7 -2.432 -2.914 4.503 1.00 0.00 C ATOM 460 N4 DC B 7 -1.967 -2.828 5.728 1.00 0.00 N ATOM 461 C5 DC B 7 -3.677 -3.555 4.237 1.00 0.00 C ATOM 462 C6 DC B 7 -4.085 -3.578 2.961 1.00 0.00 C ATOM 0 H5' DC B 7 -7.054 -1.592 -0.281 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.482 -2.771 -1.505 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.196 -2.677 -1.645 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.128 -5.101 -0.311 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.204 -5.220 1.107 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.196 -5.084 -0.320 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.908 -2.805 -0.065 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.482 -3.252 6.500 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.091 -2.337 5.908 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.264 -4.001 5.027 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.037 -4.024 2.712 1.00 0.00 H new ATOM 474 P DT B 8 -6.007 -5.614 -2.910 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.245 -4.794 -2.811 1.00 0.00 O ATOM 476 OP2 DT B 8 -6.093 -7.067 -2.692 1.00 0.00 O ATOM 477 O5' DT B 8 -5.273 -5.325 -4.307 1.00 0.00 O ATOM 478 C5' DT B 8 -5.425 -4.092 -4.979 1.00 0.00 C ATOM 479 C4' DT B 8 -4.554 -4.013 -6.245 1.00 0.00 C ATOM 480 O4' DT B 8 -3.212 -3.651 -5.926 1.00 0.00 O ATOM 481 C3' DT B 8 -4.511 -5.352 -7.012 1.00 0.00 C ATOM 482 O3' DT B 8 -4.542 -5.353 -8.435 1.00 0.00 O ATOM 483 C2' DT B 8 -3.195 -5.942 -6.526 1.00 0.00 C ATOM 484 C1' DT B 8 -2.340 -4.702 -6.318 1.00 0.00 C ATOM 485 N1 DT B 8 -1.265 -4.878 -5.319 1.00 0.00 N ATOM 486 C2 DT B 8 -0.004 -5.212 -5.791 1.00 0.00 C ATOM 487 O2 DT B 8 0.243 -5.455 -6.965 1.00 0.00 O ATOM 488 N3 DT B 8 1.015 -5.243 -4.878 1.00 0.00 N ATOM 489 C4 DT B 8 0.898 -4.966 -3.542 1.00 0.00 C ATOM 490 O4 DT B 8 1.905 -4.996 -2.847 1.00 0.00 O ATOM 491 C5 DT B 8 -0.450 -4.642 -3.101 1.00 0.00 C ATOM 492 C7 DT B 8 -0.707 -4.317 -1.642 1.00 0.00 C ATOM 493 C6 DT B 8 -1.479 -4.613 -3.988 1.00 0.00 C ATOM 0 H5' DT B 8 -5.160 -3.277 -4.305 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.472 -3.954 -5.250 1.00 0.00 H new ATOM 0 H4' DT B 8 -5.015 -3.252 -6.874 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.434 -5.894 -6.804 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.320 -6.509 -5.604 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.757 -6.619 -7.260 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.825 -4.479 -7.253 1.00 0.00 H new ATOM 0 H3 DT B 8 1.942 -5.494 -5.222 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.544 -3.623 -1.566 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.945 -5.233 -1.102 1.00 0.00 H new ATOM 0 H73 DT B 8 0.183 -3.861 -1.208 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.475 -4.379 -3.643 1.00 0.00 H new TER 506 DT B 8