USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 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 8 DT C7 :methyl -30:sc= -0.0342 (180deg=-0.259) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot -29:sc= 0.00525 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot -19:sc= 1.05 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 2:sc= 0.201 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT C7 :methyl -30:sc= 0 (180deg=-0.196) USER MOD Single : B 16 DT O3' : rot -61:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 11.815 0.109 -10.198 1.00 0.00 O ATOM 2 C5' DT A 1 11.057 -0.193 -9.042 1.00 0.00 C ATOM 3 C4' DT A 1 9.801 0.687 -9.002 1.00 0.00 C ATOM 4 O4' DT A 1 8.996 0.374 -10.133 1.00 0.00 O ATOM 5 C3' DT A 1 8.933 0.422 -7.761 1.00 0.00 C ATOM 6 O3' DT A 1 8.488 1.629 -7.135 1.00 0.00 O ATOM 7 C2' DT A 1 7.741 -0.311 -8.351 1.00 0.00 C ATOM 8 C1' DT A 1 7.637 0.330 -9.734 1.00 0.00 C ATOM 9 N1 DT A 1 6.761 -0.403 -10.701 1.00 0.00 N ATOM 10 C2 DT A 1 6.940 -0.223 -12.085 1.00 0.00 C ATOM 11 O2 DT A 1 7.706 0.585 -12.598 1.00 0.00 O ATOM 12 N3 DT A 1 6.161 -0.996 -12.921 1.00 0.00 N ATOM 13 C4 DT A 1 5.168 -1.865 -12.529 1.00 0.00 C ATOM 14 O4 DT A 1 4.571 -2.500 -13.392 1.00 0.00 O ATOM 15 C5 DT A 1 4.936 -1.910 -11.088 1.00 0.00 C ATOM 16 C7 DT A 1 3.823 -2.785 -10.529 1.00 0.00 C ATOM 17 C6 DT A 1 5.714 -1.179 -10.241 1.00 0.00 C ATOM 0 H5' DT A 1 11.658 -0.027 -8.148 1.00 0.00 H new ATOM 0 H5'' DT A 1 10.775 -1.246 -9.045 1.00 0.00 H new ATOM 0 H4' DT A 1 10.136 1.724 -8.987 1.00 0.00 H new ATOM 0 H3' DT A 1 9.475 -0.122 -6.988 1.00 0.00 H new ATOM 0 H2' DT A 1 7.910 -1.386 -8.410 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.836 -0.162 -7.762 1.00 0.00 H new ATOM 0 HO5' DT A 1 11.217 0.419 -10.910 1.00 0.00 H new ATOM 0 H1' DT A 1 7.147 1.303 -9.709 1.00 0.00 H new ATOM 0 H3 DT A 1 6.337 -0.916 -13.922 1.00 0.00 H new ATOM 0 H71 DT A 1 4.095 -3.126 -9.530 1.00 0.00 H new ATOM 0 H72 DT A 1 2.899 -2.209 -10.477 1.00 0.00 H new ATOM 0 H73 DT A 1 3.677 -3.647 -11.179 1.00 0.00 H new ATOM 0 H6 DT A 1 5.507 -1.207 -9.181 1.00 0.00 H new ATOM 31 P DG A 2 9.409 2.411 -6.046 1.00 0.00 P ATOM 32 OP1 DG A 2 8.949 3.829 -5.918 1.00 0.00 O ATOM 33 OP2 DG A 2 10.826 2.115 -6.329 1.00 0.00 O ATOM 34 O5' DG A 2 9.008 1.712 -4.656 1.00 0.00 O ATOM 35 C5' DG A 2 9.189 0.330 -4.407 1.00 0.00 C ATOM 36 C4' DG A 2 8.772 0.003 -2.966 1.00 0.00 C ATOM 37 O4' DG A 2 7.465 0.474 -2.674 1.00 0.00 O ATOM 38 C3' DG A 2 8.837 -1.485 -2.613 1.00 0.00 C ATOM 39 O3' DG A 2 9.214 -1.618 -1.251 1.00 0.00 O ATOM 40 C2' DG A 2 7.397 -1.863 -2.902 1.00 0.00 C ATOM 41 C1' DG A 2 6.561 -0.602 -2.626 1.00 0.00 C ATOM 42 N9 DG A 2 5.535 -0.345 -3.653 1.00 0.00 N ATOM 43 C8 DG A 2 5.683 -0.487 -4.998 1.00 0.00 C ATOM 44 N7 DG A 2 4.612 -0.235 -5.699 1.00 0.00 N ATOM 45 C5 DG A 2 3.697 0.201 -4.729 1.00 0.00 C ATOM 46 C6 DG A 2 2.348 0.703 -4.842 1.00 0.00 C ATOM 47 O6 DG A 2 1.630 0.839 -5.826 1.00 0.00 O ATOM 48 N1 DG A 2 1.815 1.098 -3.631 1.00 0.00 N ATOM 49 C2 DG A 2 2.453 0.972 -2.441 1.00 0.00 C ATOM 50 N2 DG A 2 1.797 1.389 -1.388 1.00 0.00 N ATOM 51 N3 DG A 2 3.680 0.471 -2.283 1.00 0.00 N ATOM 52 C4 DG A 2 4.260 0.130 -3.472 1.00 0.00 C ATOM 0 H5' DG A 2 10.232 0.056 -4.565 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.596 -0.256 -5.109 1.00 0.00 H new ATOM 0 H4' DG A 2 9.510 0.523 -2.355 1.00 0.00 H new ATOM 0 H3' DG A 2 9.556 -2.108 -3.146 1.00 0.00 H new ATOM 0 H2' DG A 2 7.280 -2.190 -3.935 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.076 -2.690 -2.268 1.00 0.00 H new ATOM 0 H1' DG A 2 6.047 -0.727 -1.673 1.00 0.00 H new ATOM 0 H8 DG A 2 6.617 -0.786 -5.451 1.00 0.00 H new ATOM 0 H1 DG A 2 0.882 1.511 -3.632 1.00 0.00 H new ATOM 0 H21 DG A 2 2.222 1.322 -0.463 1.00 0.00 H new ATOM 0 H22 DG A 2 0.861 1.781 -1.492 1.00 0.00 H new ATOM 64 P DC A 3 9.334 -3.017 -0.455 1.00 0.00 P ATOM 65 OP1 DC A 3 10.208 -2.865 0.723 1.00 0.00 O ATOM 66 OP2 DC A 3 9.573 -4.171 -1.337 1.00 0.00 O ATOM 67 O5' DC A 3 7.867 -3.328 0.110 1.00 0.00 O ATOM 68 C5' DC A 3 7.268 -2.538 1.127 1.00 0.00 C ATOM 69 C4' DC A 3 5.843 -3.040 1.409 1.00 0.00 C ATOM 70 O4' DC A 3 5.027 -2.592 0.354 1.00 0.00 O ATOM 71 C3' DC A 3 5.683 -4.569 1.474 1.00 0.00 C ATOM 72 O3' DC A 3 5.486 -5.102 2.774 1.00 0.00 O ATOM 73 C2' DC A 3 4.388 -4.812 0.704 1.00 0.00 C ATOM 74 C1' DC A 3 3.905 -3.439 0.274 1.00 0.00 C ATOM 75 N1 DC A 3 3.435 -3.432 -1.138 1.00 0.00 N ATOM 76 C2 DC A 3 2.097 -3.206 -1.465 1.00 0.00 C ATOM 77 O2 DC A 3 1.228 -3.216 -0.609 1.00 0.00 O ATOM 78 N3 DC A 3 1.713 -2.920 -2.734 1.00 0.00 N ATOM 79 C4 DC A 3 2.643 -2.922 -3.666 1.00 0.00 C ATOM 80 N4 DC A 3 2.291 -2.554 -4.870 1.00 0.00 N ATOM 81 C5 DC A 3 4.002 -3.244 -3.400 1.00 0.00 C ATOM 82 C6 DC A 3 4.358 -3.520 -2.132 1.00 0.00 C ATOM 0 H5' DC A 3 7.240 -1.493 0.819 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.866 -2.586 2.037 1.00 0.00 H new ATOM 0 H4' DC A 3 5.574 -2.655 2.393 1.00 0.00 H new ATOM 0 H3' DC A 3 6.590 -5.040 1.095 1.00 0.00 H new ATOM 0 H2' DC A 3 4.560 -5.455 -0.159 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.647 -5.310 1.330 1.00 0.00 H new ATOM 0 H1' DC A 3 3.074 -3.129 0.907 1.00 0.00 H new ATOM 0 H41 DC A 3 2.981 -2.541 -5.621 1.00 0.00 H new ATOM 0 H42 DC A 3 1.327 -2.280 -5.058 1.00 0.00 H new ATOM 0 H5 DC A 3 4.731 -3.267 -4.196 1.00 0.00 H new ATOM 0 H6 DC A 3 5.373 -3.810 -1.905 1.00 0.00 H new ATOM 94 P DT A 4 6.670 -5.255 3.870 1.00 0.00 P ATOM 95 OP1 DT A 4 7.751 -4.291 3.587 1.00 0.00 O ATOM 96 OP2 DT A 4 7.020 -6.685 4.001 1.00 0.00 O ATOM 97 O5' DT A 4 5.866 -4.787 5.184 1.00 0.00 O ATOM 98 C5' DT A 4 5.441 -3.449 5.397 1.00 0.00 C ATOM 99 C4' DT A 4 4.142 -3.417 6.222 1.00 0.00 C ATOM 100 O4' DT A 4 3.017 -3.512 5.402 1.00 0.00 O ATOM 101 C3' DT A 4 3.990 -4.523 7.266 1.00 0.00 C ATOM 102 O3' DT A 4 4.641 -4.202 8.489 1.00 0.00 O ATOM 103 C2' DT A 4 2.472 -4.530 7.417 1.00 0.00 C ATOM 104 C1' DT A 4 1.898 -3.754 6.237 1.00 0.00 C ATOM 105 N1 DT A 4 0.831 -4.494 5.512 1.00 0.00 N ATOM 106 C2 DT A 4 -0.416 -4.697 6.119 1.00 0.00 C ATOM 107 O2 DT A 4 -0.654 -4.433 7.292 1.00 0.00 O ATOM 108 N3 DT A 4 -1.406 -5.251 5.331 1.00 0.00 N ATOM 109 C4 DT A 4 -1.267 -5.639 4.010 1.00 0.00 C ATOM 110 O4 DT A 4 -2.227 -6.142 3.435 1.00 0.00 O ATOM 111 C5 DT A 4 0.063 -5.411 3.445 1.00 0.00 C ATOM 112 C7 DT A 4 0.334 -5.746 1.990 1.00 0.00 C ATOM 113 C6 DT A 4 1.049 -4.877 4.213 1.00 0.00 C ATOM 0 H5' DT A 4 5.281 -2.956 4.438 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.221 -2.892 5.916 1.00 0.00 H new ATOM 0 H4' DT A 4 4.215 -2.461 6.740 1.00 0.00 H new ATOM 0 H3' DT A 4 4.433 -5.479 6.987 1.00 0.00 H new ATOM 0 H2' DT A 4 2.091 -5.551 7.428 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.177 -4.070 8.360 1.00 0.00 H new ATOM 0 H1' DT A 4 1.407 -2.839 6.568 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.321 -5.386 5.761 1.00 0.00 H new ATOM 0 H71 DT A 4 1.102 -5.078 1.600 1.00 0.00 H new ATOM 0 H72 DT A 4 0.677 -6.778 1.912 1.00 0.00 H new ATOM 0 H73 DT A 4 -0.582 -5.623 1.412 1.00 0.00 H new ATOM 0 H6 DT A 4 2.034 -4.750 3.788 1.00 0.00 H new ATOM 126 P DT A 5 5.266 -5.321 9.460 1.00 0.00 P ATOM 127 OP1 DT A 5 4.838 -6.711 9.176 1.00 0.00 O ATOM 128 OP2 DT A 5 5.150 -4.781 10.819 1.00 0.00 O ATOM 129 O5' DT A 5 6.853 -5.226 9.222 1.00 0.00 O ATOM 130 C5' DT A 5 7.411 -4.897 7.960 1.00 0.00 C ATOM 131 C4' DT A 5 8.938 -4.923 8.013 1.00 0.00 C ATOM 132 O4' DT A 5 9.361 -6.272 8.078 1.00 0.00 O ATOM 133 C3' DT A 5 9.566 -4.283 6.764 1.00 0.00 C ATOM 134 O3' DT A 5 10.479 -3.259 7.110 1.00 0.00 O ATOM 135 C2' DT A 5 10.350 -5.397 6.106 1.00 0.00 C ATOM 136 C1' DT A 5 10.500 -6.406 7.245 1.00 0.00 C ATOM 137 N1 DT A 5 10.563 -7.793 6.745 1.00 0.00 N ATOM 138 C2 DT A 5 11.645 -8.599 7.106 1.00 0.00 C ATOM 139 O2 DT A 5 12.566 -8.219 7.819 1.00 0.00 O ATOM 140 N3 DT A 5 11.638 -9.890 6.625 1.00 0.00 N ATOM 141 C4 DT A 5 10.661 -10.445 5.824 1.00 0.00 C ATOM 142 O4 DT A 5 10.788 -11.615 5.483 1.00 0.00 O ATOM 143 C5 DT A 5 9.564 -9.539 5.474 1.00 0.00 C ATOM 144 C7 DT A 5 8.420 -10.014 4.596 1.00 0.00 C ATOM 145 C6 DT A 5 9.552 -8.262 5.943 1.00 0.00 C ATOM 0 H5' DT A 5 7.071 -3.907 7.655 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.058 -5.602 7.207 1.00 0.00 H new ATOM 0 H4' DT A 5 9.257 -4.356 8.887 1.00 0.00 H new ATOM 0 H3' DT A 5 8.795 -3.845 6.129 1.00 0.00 H new ATOM 0 H2' DT A 5 9.818 -5.821 5.254 1.00 0.00 H new ATOM 0 H2'' DT A 5 11.316 -5.052 5.738 1.00 0.00 H new ATOM 0 H1' DT A 5 11.428 -6.206 7.781 1.00 0.00 H new ATOM 0 H3 DT A 5 12.423 -10.487 6.883 1.00 0.00 H new ATOM 0 H71 DT A 5 7.510 -9.475 4.861 1.00 0.00 H new ATOM 0 H72 DT A 5 8.662 -9.826 3.550 1.00 0.00 H new ATOM 0 H73 DT A 5 8.265 -11.082 4.746 1.00 0.00 H new ATOM 0 H6 DT A 5 8.734 -7.607 5.680 1.00 0.00 H new ATOM 158 P DC A 6 9.966 -1.791 7.522 1.00 0.00 P ATOM 159 OP1 DC A 6 11.146 -0.946 7.791 1.00 0.00 O ATOM 160 OP2 DC A 6 8.877 -1.925 8.529 1.00 0.00 O ATOM 161 O5' DC A 6 9.322 -1.299 6.135 1.00 0.00 O ATOM 162 C5' DC A 6 9.046 0.065 5.910 1.00 0.00 C ATOM 163 C4' DC A 6 8.106 0.233 4.711 1.00 0.00 C ATOM 164 O4' DC A 6 6.849 -0.333 5.016 1.00 0.00 O ATOM 165 C3' DC A 6 7.853 1.725 4.429 1.00 0.00 C ATOM 166 O3' DC A 6 8.702 2.392 3.483 1.00 0.00 O ATOM 167 C2' DC A 6 6.350 1.785 4.169 1.00 0.00 C ATOM 168 C1' DC A 6 5.878 0.329 4.237 1.00 0.00 C ATOM 169 N1 DC A 6 4.598 0.190 4.972 1.00 0.00 N ATOM 170 C2 DC A 6 3.458 -0.326 4.348 1.00 0.00 C ATOM 171 O2 DC A 6 3.452 -0.673 3.166 1.00 0.00 O ATOM 172 N3 DC A 6 2.317 -0.463 5.074 1.00 0.00 N ATOM 173 C4 DC A 6 2.290 -0.077 6.339 1.00 0.00 C ATOM 174 N4 DC A 6 1.176 -0.275 6.995 1.00 0.00 N ATOM 175 C5 DC A 6 3.433 0.409 7.028 1.00 0.00 C ATOM 176 C6 DC A 6 4.571 0.521 6.300 1.00 0.00 C ATOM 0 H5' DC A 6 9.975 0.605 5.729 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.592 0.502 6.799 1.00 0.00 H new ATOM 0 H4' DC A 6 8.571 -0.250 3.852 1.00 0.00 H new ATOM 0 H3' DC A 6 8.154 2.337 5.279 1.00 0.00 H new ATOM 0 H2' DC A 6 5.845 2.399 4.914 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.135 2.225 3.195 1.00 0.00 H new ATOM 0 H1' DC A 6 5.744 -0.060 3.228 1.00 0.00 H new ATOM 0 H41 DC A 6 1.104 0.005 7.973 1.00 0.00 H new ATOM 0 H42 DC A 6 0.380 -0.709 6.528 1.00 0.00 H new ATOM 0 H5 DC A 6 3.397 0.675 8.074 1.00 0.00 H new ATOM 0 H6 DC A 6 5.472 0.878 6.776 1.00 0.00 H new ATOM 188 P DG A 7 8.799 2.098 1.905 1.00 0.00 P ATOM 189 OP1 DG A 7 8.944 0.643 1.717 1.00 0.00 O ATOM 190 OP2 DG A 7 9.834 3.005 1.371 1.00 0.00 O ATOM 191 O5' DG A 7 7.420 2.644 1.311 1.00 0.00 O ATOM 192 C5' DG A 7 6.877 2.280 0.046 1.00 0.00 C ATOM 193 C4' DG A 7 5.511 2.975 -0.154 1.00 0.00 C ATOM 194 O4' DG A 7 4.561 2.325 0.673 1.00 0.00 O ATOM 195 C3' DG A 7 5.457 4.458 0.289 1.00 0.00 C ATOM 196 O3' DG A 7 5.622 5.499 -0.671 1.00 0.00 O ATOM 197 C2' DG A 7 4.037 4.613 0.822 1.00 0.00 C ATOM 198 C1' DG A 7 3.467 3.198 0.858 1.00 0.00 C ATOM 199 N9 DG A 7 2.780 2.883 2.131 1.00 0.00 N ATOM 200 C8 DG A 7 3.226 3.104 3.405 1.00 0.00 C ATOM 201 N7 DG A 7 2.367 2.812 4.342 1.00 0.00 N ATOM 202 C5 DG A 7 1.244 2.376 3.629 1.00 0.00 C ATOM 203 C6 DG A 7 -0.066 1.972 4.063 1.00 0.00 C ATOM 204 O6 DG A 7 -0.503 1.862 5.206 1.00 0.00 O ATOM 205 N1 DG A 7 -0.940 1.724 3.014 1.00 0.00 N ATOM 206 C2 DG A 7 -0.564 1.697 1.701 1.00 0.00 C ATOM 207 N2 DG A 7 -1.477 1.332 0.823 1.00 0.00 N ATOM 208 N3 DG A 7 0.645 2.058 1.270 1.00 0.00 N ATOM 209 C4 DG A 7 1.498 2.405 2.276 1.00 0.00 C ATOM 0 H5' DG A 7 6.757 1.198 -0.011 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.562 2.568 -0.751 1.00 0.00 H new ATOM 0 H4' DG A 7 5.319 2.922 -1.226 1.00 0.00 H new ATOM 0 H3' DG A 7 6.309 4.595 0.955 1.00 0.00 H new ATOM 0 H2' DG A 7 4.036 5.063 1.815 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.443 5.261 0.177 1.00 0.00 H new ATOM 0 H1' DG A 7 2.712 3.092 0.079 1.00 0.00 H new ATOM 0 H8 DG A 7 4.212 3.490 3.618 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.920 1.552 3.236 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.245 1.296 -0.170 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.416 1.085 1.136 1.00 0.00 H new ATOM 221 P DT A 8 6.707 5.519 -1.866 1.00 0.00 P ATOM 222 OP1 DT A 8 7.963 4.871 -1.405 1.00 0.00 O ATOM 223 OP2 DT A 8 6.816 6.881 -2.409 1.00 0.00 O ATOM 224 O5' DT A 8 5.954 4.625 -2.970 1.00 0.00 O ATOM 225 C5' DT A 8 6.557 3.562 -3.687 1.00 0.00 C ATOM 226 C4' DT A 8 5.900 3.421 -5.073 1.00 0.00 C ATOM 227 O4' DT A 8 4.552 3.014 -4.933 1.00 0.00 O ATOM 228 C3' DT A 8 5.890 4.740 -5.854 1.00 0.00 C ATOM 229 O3' DT A 8 6.938 4.834 -6.805 1.00 0.00 O ATOM 230 C2' DT A 8 4.546 4.730 -6.571 1.00 0.00 C ATOM 231 C1' DT A 8 3.741 3.594 -5.943 1.00 0.00 C ATOM 232 N1 DT A 8 2.480 4.107 -5.348 1.00 0.00 N ATOM 233 C2 DT A 8 1.336 4.194 -6.148 1.00 0.00 C ATOM 234 O2 DT A 8 1.308 3.888 -7.334 1.00 0.00 O ATOM 235 N3 DT A 8 0.195 4.679 -5.545 1.00 0.00 N ATOM 236 C4 DT A 8 0.079 5.074 -4.227 1.00 0.00 C ATOM 237 O4 DT A 8 -1.021 5.447 -3.827 1.00 0.00 O ATOM 238 C5 DT A 8 1.321 4.989 -3.459 1.00 0.00 C ATOM 239 C7 DT A 8 1.372 5.402 -2.001 1.00 0.00 C ATOM 240 C6 DT A 8 2.460 4.528 -4.039 1.00 0.00 C ATOM 0 H5' DT A 8 6.452 2.631 -3.130 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.625 3.748 -3.799 1.00 0.00 H new ATOM 0 H4' DT A 8 6.491 2.684 -5.616 1.00 0.00 H new ATOM 0 H3' DT A 8 6.035 5.588 -5.185 1.00 0.00 H new ATOM 0 H2' DT A 8 4.033 5.684 -6.451 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.676 4.570 -7.641 1.00 0.00 H new ATOM 0 HO3' DT A 8 7.638 4.184 -6.586 1.00 0.00 H new ATOM 0 H1' DT A 8 3.471 2.858 -6.701 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.640 4.753 -6.126 1.00 0.00 H new ATOM 0 H71 DT A 8 0.639 6.188 -1.820 1.00 0.00 H new ATOM 0 H72 DT A 8 1.146 4.542 -1.371 1.00 0.00 H new ATOM 0 H73 DT A 8 2.369 5.774 -1.763 1.00 0.00 H new ATOM 0 H6 DT A 8 3.370 4.491 -3.459 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -9.916 -1.707 -9.919 1.00 0.00 O ATOM 256 C5' DT B 9 -8.715 -1.668 -10.668 1.00 0.00 C ATOM 257 C4' DT B 9 -7.664 -2.641 -10.129 1.00 0.00 C ATOM 258 O4' DT B 9 -6.506 -2.542 -10.951 1.00 0.00 O ATOM 259 C3' DT B 9 -7.207 -2.288 -8.709 1.00 0.00 C ATOM 260 O3' DT B 9 -7.044 -3.418 -7.882 1.00 0.00 O ATOM 261 C2' DT B 9 -5.813 -1.759 -8.923 1.00 0.00 C ATOM 262 C1' DT B 9 -5.347 -2.565 -10.133 1.00 0.00 C ATOM 263 N1 DT B 9 -4.118 -1.987 -10.756 1.00 0.00 N ATOM 264 C2 DT B 9 -3.873 -2.141 -12.133 1.00 0.00 C ATOM 265 O2 DT B 9 -4.534 -2.830 -12.901 1.00 0.00 O ATOM 266 N3 DT B 9 -2.779 -1.480 -12.649 1.00 0.00 N ATOM 267 C4 DT B 9 -1.848 -0.762 -11.928 1.00 0.00 C ATOM 268 O4 DT B 9 -0.923 -0.231 -12.533 1.00 0.00 O ATOM 269 C5 DT B 9 -2.089 -0.740 -10.485 1.00 0.00 C ATOM 270 C7 DT B 9 -1.124 -0.029 -9.545 1.00 0.00 C ATOM 271 C6 DT B 9 -3.182 -1.353 -9.959 1.00 0.00 C ATOM 0 H5' DT B 9 -8.312 -0.655 -10.652 1.00 0.00 H new ATOM 0 H5'' DT B 9 -8.930 -1.909 -11.709 1.00 0.00 H new ATOM 0 H4' DT B 9 -8.115 -3.633 -10.125 1.00 0.00 H new ATOM 0 H3' DT B 9 -7.932 -1.624 -8.239 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.810 -0.687 -9.121 1.00 0.00 H new ATOM 0 H2'' DT B 9 -5.177 -1.924 -8.054 1.00 0.00 H new ATOM 0 HO5' DT B 9 -9.820 -2.342 -9.179 1.00 0.00 H new ATOM 0 H1' DT B 9 -5.020 -3.581 -9.914 1.00 0.00 H new ATOM 0 H3 DT B 9 -2.645 -1.526 -13.659 1.00 0.00 H new ATOM 0 H71 DT B 9 -1.669 0.344 -8.678 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.354 -0.728 -9.217 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.657 0.807 -10.067 1.00 0.00 H new ATOM 0 H6 DT B 9 -3.324 -1.345 -8.888 1.00 0.00 H new ATOM 285 P DG B 10 -8.168 -3.929 -6.883 1.00 0.00 P ATOM 286 OP1 DG B 10 -7.837 -5.347 -6.572 1.00 0.00 O ATOM 287 OP2 DG B 10 -9.496 -3.535 -7.426 1.00 0.00 O ATOM 288 O5' DG B 10 -7.938 -3.117 -5.493 1.00 0.00 O ATOM 289 C5' DG B 10 -8.045 -1.701 -5.423 1.00 0.00 C ATOM 290 C4' DG B 10 -7.784 -1.201 -3.997 1.00 0.00 C ATOM 291 O4' DG B 10 -6.486 -1.548 -3.545 1.00 0.00 O ATOM 292 C3' DG B 10 -7.990 0.306 -3.814 1.00 0.00 C ATOM 293 O3' DG B 10 -8.535 0.570 -2.521 1.00 0.00 O ATOM 294 C2' DG B 10 -6.552 0.768 -3.981 1.00 0.00 C ATOM 295 C1' DG B 10 -5.678 -0.394 -3.478 1.00 0.00 C ATOM 296 N9 DG B 10 -4.504 -0.664 -4.325 1.00 0.00 N ATOM 297 C8 DG B 10 -4.473 -0.690 -5.683 1.00 0.00 C ATOM 298 N7 DG B 10 -3.314 -0.987 -6.206 1.00 0.00 N ATOM 299 C5 DG B 10 -2.526 -1.264 -5.077 1.00 0.00 C ATOM 300 C6 DG B 10 -1.170 -1.736 -4.942 1.00 0.00 C ATOM 301 O6 DG B 10 -0.318 -1.987 -5.790 1.00 0.00 O ATOM 302 N1 DG B 10 -0.803 -1.953 -3.632 1.00 0.00 N ATOM 303 C2 DG B 10 -1.594 -1.679 -2.567 1.00 0.00 C ATOM 304 N2 DG B 10 -1.072 -1.976 -1.409 1.00 0.00 N ATOM 305 N3 DG B 10 -2.833 -1.198 -2.634 1.00 0.00 N ATOM 306 C4 DG B 10 -3.251 -1.043 -3.922 1.00 0.00 C ATOM 0 H5' DG B 10 -9.039 -1.391 -5.745 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.331 -1.244 -6.109 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.535 -1.709 -3.392 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.688 0.800 -4.489 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.334 0.999 -5.024 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.364 1.676 -3.408 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.318 -0.136 -2.482 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.344 -0.480 -6.286 1.00 0.00 H new ATOM 0 H1 DG B 10 0.122 -2.344 -3.453 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.599 -1.803 -0.553 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.137 -2.381 -1.360 1.00 0.00 H new ATOM 318 P DC B 11 -8.933 2.035 -1.959 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.901 1.887 -0.854 1.00 0.00 O ATOM 320 OP2 DC B 11 -9.332 2.933 -3.062 1.00 0.00 O ATOM 321 O5' DC B 11 -7.574 2.698 -1.398 1.00 0.00 O ATOM 322 C5' DC B 11 -6.929 2.246 -0.213 1.00 0.00 C ATOM 323 C4' DC B 11 -5.534 2.875 -0.011 1.00 0.00 C ATOM 324 O4' DC B 11 -4.612 2.229 -0.871 1.00 0.00 O ATOM 325 C3' DC B 11 -5.429 4.381 -0.319 1.00 0.00 C ATOM 326 O3' DC B 11 -5.378 5.257 0.797 1.00 0.00 O ATOM 327 C2' DC B 11 -4.054 4.485 -0.980 1.00 0.00 C ATOM 328 C1' DC B 11 -3.488 3.074 -1.010 1.00 0.00 C ATOM 329 N1 DC B 11 -2.803 2.767 -2.293 1.00 0.00 N ATOM 330 C2 DC B 11 -1.422 2.524 -2.369 1.00 0.00 C ATOM 331 O2 DC B 11 -0.688 2.640 -1.398 1.00 0.00 O ATOM 332 N3 DC B 11 -0.850 2.088 -3.517 1.00 0.00 N ATOM 333 C4 DC B 11 -1.623 1.929 -4.569 1.00 0.00 C ATOM 334 N4 DC B 11 -1.087 1.392 -5.626 1.00 0.00 N ATOM 335 C5 DC B 11 -3.017 2.203 -4.559 1.00 0.00 C ATOM 336 C6 DC B 11 -3.570 2.629 -3.409 1.00 0.00 C ATOM 0 H5' DC B 11 -6.831 1.161 -0.250 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.556 2.480 0.648 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.325 2.746 1.051 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.313 4.679 -0.883 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.137 4.892 -1.988 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.402 5.154 -0.418 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.743 2.944 -0.225 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.648 1.249 -6.466 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.106 1.114 -5.615 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.615 2.073 -5.449 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.624 2.862 -3.371 1.00 0.00 H new ATOM 348 P DT B 12 -6.644 5.590 1.739 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.759 4.652 1.544 1.00 0.00 O ATOM 350 OP2 DT B 12 -6.976 7.024 1.727 1.00 0.00 O ATOM 351 O5' DT B 12 -6.051 5.343 3.204 1.00 0.00 O ATOM 352 C5' DT B 12 -5.937 4.054 3.778 1.00 0.00 C ATOM 353 C4' DT B 12 -4.871 4.025 4.884 1.00 0.00 C ATOM 354 O4' DT B 12 -3.585 3.796 4.379 1.00 0.00 O ATOM 355 C3' DT B 12 -4.787 5.296 5.728 1.00 0.00 C ATOM 356 O3' DT B 12 -5.706 5.328 6.806 1.00 0.00 O ATOM 357 C2' DT B 12 -3.377 5.164 6.282 1.00 0.00 C ATOM 358 C1' DT B 12 -2.630 4.223 5.343 1.00 0.00 C ATOM 359 N1 DT B 12 -1.483 4.894 4.678 1.00 0.00 N ATOM 360 C2 DT B 12 -0.313 5.141 5.402 1.00 0.00 C ATOM 361 O2 DT B 12 -0.207 4.964 6.610 1.00 0.00 O ATOM 362 N3 DT B 12 0.762 5.627 4.689 1.00 0.00 N ATOM 363 C4 DT B 12 0.797 5.841 3.326 1.00 0.00 C ATOM 364 O4 DT B 12 1.851 6.203 2.812 1.00 0.00 O ATOM 365 C5 DT B 12 -0.470 5.596 2.642 1.00 0.00 C ATOM 366 C7 DT B 12 -0.570 5.785 1.139 1.00 0.00 C ATOM 367 C6 DT B 12 -1.556 5.164 3.335 1.00 0.00 C ATOM 0 H5' DT B 12 -5.680 3.331 3.004 1.00 0.00 H new ATOM 0 H5'' DT B 12 -6.900 3.751 4.190 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.205 3.202 5.516 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.011 6.195 5.153 1.00 0.00 H new ATOM 0 H2' DT B 12 -2.886 6.136 6.329 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.394 4.766 7.297 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.206 3.386 5.898 1.00 0.00 H new ATOM 0 H3 DT B 12 1.607 5.848 5.216 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.318 5.103 0.736 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.860 6.813 0.920 1.00 0.00 H new ATOM 0 H73 DT B 12 0.397 5.575 0.681 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.495 5.031 2.818 1.00 0.00 H new ATOM 380 P DT B 13 -7.005 6.288 6.821 1.00 0.00 P ATOM 381 OP1 DT B 13 -6.766 7.454 5.942 1.00 0.00 O ATOM 382 OP2 DT B 13 -7.434 6.485 8.223 1.00 0.00 O ATOM 383 O5' DT B 13 -8.155 5.459 6.039 1.00 0.00 O ATOM 384 C5' DT B 13 -8.940 4.460 6.680 1.00 0.00 C ATOM 385 C4' DT B 13 -8.162 3.153 6.873 1.00 0.00 C ATOM 386 O4' DT B 13 -7.403 3.131 8.067 1.00 0.00 O ATOM 387 C3' DT B 13 -9.070 1.926 6.994 1.00 0.00 C ATOM 388 O3' DT B 13 -9.384 1.393 5.725 1.00 0.00 O ATOM 389 C2' DT B 13 -8.189 0.952 7.781 1.00 0.00 C ATOM 390 C1' DT B 13 -6.987 1.799 8.236 1.00 0.00 C ATOM 391 N1 DT B 13 -6.573 1.570 9.638 1.00 0.00 N ATOM 392 C2 DT B 13 -5.230 1.302 9.932 1.00 0.00 C ATOM 393 O2 DT B 13 -4.355 1.167 9.077 1.00 0.00 O ATOM 394 N3 DT B 13 -4.916 1.157 11.272 1.00 0.00 N ATOM 395 C4 DT B 13 -5.815 1.193 12.324 1.00 0.00 C ATOM 396 O4 DT B 13 -5.393 1.021 13.464 1.00 0.00 O ATOM 397 C5 DT B 13 -7.204 1.432 11.934 1.00 0.00 C ATOM 398 C7 DT B 13 -8.308 1.479 12.978 1.00 0.00 C ATOM 399 C6 DT B 13 -7.522 1.622 10.627 1.00 0.00 C ATOM 0 H5' DT B 13 -9.834 4.266 6.087 1.00 0.00 H new ATOM 0 H5'' DT B 13 -9.275 4.829 7.649 1.00 0.00 H new ATOM 0 H4' DT B 13 -7.533 3.113 5.984 1.00 0.00 H new ATOM 0 H3' DT B 13 -10.029 2.141 7.464 1.00 0.00 H new ATOM 0 H2' DT B 13 -8.724 0.533 8.633 1.00 0.00 H new ATOM 0 H2'' DT B 13 -7.872 0.114 7.160 1.00 0.00 H new ATOM 0 H1' DT B 13 -6.108 1.531 7.650 1.00 0.00 H new ATOM 0 H3 DT B 13 -3.934 1.010 11.505 1.00 0.00 H new ATOM 0 H71 DT B 13 -9.099 2.149 12.641 1.00 0.00 H new ATOM 0 H72 DT B 13 -8.716 0.479 13.121 1.00 0.00 H new ATOM 0 H73 DT B 13 -7.901 1.843 13.921 1.00 0.00 H new ATOM 0 H6 DT B 13 -8.550 1.819 10.359 1.00 0.00 H new ATOM 412 P DC B 14 -10.661 0.470 5.440 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.857 1.310 5.246 1.00 0.00 O ATOM 414 OP2 DC B 14 -10.681 -0.718 6.331 1.00 0.00 O ATOM 415 O5' DC B 14 -10.260 -0.169 4.032 1.00 0.00 O ATOM 416 C5' DC B 14 -10.032 0.630 2.879 1.00 0.00 C ATOM 417 C4' DC B 14 -8.712 0.240 2.203 1.00 0.00 C ATOM 418 O4' DC B 14 -7.590 0.770 2.869 1.00 0.00 O ATOM 419 C3' DC B 14 -8.488 -1.270 2.118 1.00 0.00 C ATOM 420 O3' DC B 14 -8.915 -1.742 0.850 1.00 0.00 O ATOM 421 C2' DC B 14 -7.003 -1.442 2.398 1.00 0.00 C ATOM 422 C1' DC B 14 -6.471 -0.017 2.514 1.00 0.00 C ATOM 423 N1 DC B 14 -5.462 0.139 3.581 1.00 0.00 N ATOM 424 C2 DC B 14 -4.170 0.556 3.268 1.00 0.00 C ATOM 425 O2 DC B 14 -3.827 0.793 2.110 1.00 0.00 O ATOM 426 N3 DC B 14 -3.266 0.725 4.261 1.00 0.00 N ATOM 427 C4 DC B 14 -3.609 0.462 5.511 1.00 0.00 C ATOM 428 N4 DC B 14 -2.725 0.743 6.434 1.00 0.00 N ATOM 429 C5 DC B 14 -4.920 0.037 5.876 1.00 0.00 C ATOM 430 C6 DC B 14 -5.829 -0.093 4.876 1.00 0.00 C ATOM 0 H5' DC B 14 -10.006 1.683 3.159 1.00 0.00 H new ATOM 0 H5'' DC B 14 -10.856 0.508 2.177 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.808 0.657 1.201 1.00 0.00 H new ATOM 0 H3' DC B 14 -9.064 -1.860 2.830 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.834 -2.005 3.316 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.508 -1.987 1.594 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.993 0.267 1.576 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.936 0.561 7.415 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.824 1.144 6.172 1.00 0.00 H new ATOM 0 H5 DC B 14 -5.179 -0.172 6.903 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.845 -0.380 5.105 1.00 0.00 H new ATOM 442 P DG B 15 -9.095 -3.298 0.541 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.920 -3.398 -0.680 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.692 -3.850 1.775 1.00 0.00 O ATOM 445 O5' DG B 15 -7.597 -3.831 0.308 1.00 0.00 O ATOM 446 C5' DG B 15 -6.842 -3.449 -0.837 1.00 0.00 C ATOM 447 C4' DG B 15 -5.339 -3.785 -0.720 1.00 0.00 C ATOM 448 O4' DG B 15 -4.697 -2.825 0.096 1.00 0.00 O ATOM 449 C3' DG B 15 -5.022 -5.148 -0.085 1.00 0.00 C ATOM 450 O3' DG B 15 -4.597 -6.180 -0.949 1.00 0.00 O ATOM 451 C2' DG B 15 -3.782 -4.875 0.744 1.00 0.00 C ATOM 452 C1' DG B 15 -3.485 -3.394 0.537 1.00 0.00 C ATOM 453 N9 DG B 15 -3.100 -2.806 1.825 1.00 0.00 N ATOM 454 C8 DG B 15 -3.843 -2.885 2.964 1.00 0.00 C ATOM 455 N7 DG B 15 -3.206 -2.550 4.048 1.00 0.00 N ATOM 456 C5 DG B 15 -1.938 -2.189 3.573 1.00 0.00 C ATOM 457 C6 DG B 15 -0.754 -1.780 4.262 1.00 0.00 C ATOM 458 O6 DG B 15 -0.588 -1.639 5.468 1.00 0.00 O ATOM 459 N1 DG B 15 0.339 -1.578 3.433 1.00 0.00 N ATOM 460 C2 DG B 15 0.303 -1.699 2.075 1.00 0.00 C ATOM 461 N2 DG B 15 1.438 -1.477 1.432 1.00 0.00 N ATOM 462 N3 DG B 15 -0.786 -2.100 1.407 1.00 0.00 N ATOM 463 C4 DG B 15 -1.870 -2.329 2.205 1.00 0.00 C ATOM 0 H5' DG B 15 -6.956 -2.377 -0.997 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.251 -3.948 -1.716 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.986 -3.796 -1.751 1.00 0.00 H new ATOM 0 H3' DG B 15 -5.940 -5.486 0.396 1.00 0.00 H new ATOM 0 H2' DG B 15 -3.954 -5.099 1.797 1.00 0.00 H new ATOM 0 H2'' DG B 15 -2.946 -5.494 0.419 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.679 -3.224 -0.176 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.876 -3.200 2.967 1.00 0.00 H new ATOM 0 H1 DG B 15 1.226 -1.323 3.866 1.00 0.00 H new ATOM 0 H21 DG B 15 1.471 -1.553 0.415 1.00 0.00 H new ATOM 0 H22 DG B 15 2.279 -1.230 1.953 1.00 0.00 H new ATOM 475 P DT B 16 -5.450 -6.761 -2.174 1.00 0.00 P ATOM 476 OP1 DT B 16 -6.871 -6.398 -2.008 1.00 0.00 O ATOM 477 OP2 DT B 16 -5.012 -8.175 -2.153 1.00 0.00 O ATOM 478 O5' DT B 16 -4.819 -5.971 -3.426 1.00 0.00 O ATOM 479 C5' DT B 16 -5.511 -4.953 -4.156 1.00 0.00 C ATOM 480 C4' DT B 16 -4.790 -4.644 -5.479 1.00 0.00 C ATOM 481 O4' DT B 16 -3.526 -4.041 -5.263 1.00 0.00 O ATOM 482 C3' DT B 16 -4.587 -5.933 -6.270 1.00 0.00 C ATOM 483 O3' DT B 16 -5.560 -6.091 -7.294 1.00 0.00 O ATOM 484 C2' DT B 16 -3.185 -5.781 -6.835 1.00 0.00 C ATOM 485 C1' DT B 16 -2.525 -4.630 -6.083 1.00 0.00 C ATOM 486 N1 DT B 16 -1.380 -5.098 -5.257 1.00 0.00 N ATOM 487 C2 DT B 16 -0.124 -5.261 -5.851 1.00 0.00 C ATOM 488 O2 DT B 16 0.094 -5.079 -7.043 1.00 0.00 O ATOM 489 N3 DT B 16 0.907 -5.668 -5.026 1.00 0.00 N ATOM 490 C4 DT B 16 0.809 -5.915 -3.670 1.00 0.00 C ATOM 491 O4 DT B 16 1.818 -6.257 -3.058 1.00 0.00 O ATOM 492 C5 DT B 16 -0.532 -5.741 -3.117 1.00 0.00 C ATOM 493 C7 DT B 16 -0.803 -5.981 -1.643 1.00 0.00 C ATOM 494 C6 DT B 16 -1.558 -5.356 -3.921 1.00 0.00 C ATOM 0 H5' DT B 16 -5.577 -4.048 -3.553 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.532 -5.276 -4.360 1.00 0.00 H new ATOM 0 H4' DT B 16 -5.416 -3.946 -6.035 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.700 -6.826 -5.655 1.00 0.00 H new ATOM 0 H2' DT B 16 -2.616 -6.702 -6.708 1.00 0.00 H new ATOM 0 H2'' DT B 16 -3.220 -5.573 -7.904 1.00 0.00 H new ATOM 0 HO3' DT B 16 -6.453 -6.133 -6.893 1.00 0.00 H new ATOM 0 H1' DT B 16 -2.119 -3.906 -6.789 1.00 0.00 H new ATOM 0 H3 DT B 16 1.823 -5.798 -5.457 1.00 0.00 H new ATOM 0 H71 DT B 16 -0.117 -6.739 -1.266 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.658 -5.053 -1.091 1.00 0.00 H new ATOM 0 H73 DT B 16 -1.829 -6.324 -1.513 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.545 -5.250 -3.495 1.00 0.00 H new TER 508 DT B 16