USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 178 hydrogens (38 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 66:sc= -0.443! USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.212 (180deg=-0.212) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.193 (180deg=-0.193) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 11 DA O5' : rot 66:sc= -0.278! USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.199 (180deg=-0.199) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.2 (180deg=-0.2) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 4.219 -11.554 -5.960 1.00 0.82 O ATOM 2 C5' DA A 1 4.644 -11.879 -7.286 1.00 0.73 C ATOM 3 C4' DA A 1 4.242 -10.798 -8.285 1.00 0.54 C ATOM 4 O4' DA A 1 2.805 -10.667 -8.346 1.00 0.55 O ATOM 5 C3' DA A 1 4.823 -9.450 -7.882 1.00 0.42 C ATOM 6 O3' DA A 1 5.578 -8.884 -8.961 1.00 0.37 O ATOM 7 C2' DA A 1 3.643 -8.584 -7.529 1.00 0.39 C ATOM 8 C1' DA A 1 2.394 -9.411 -7.770 1.00 0.45 C ATOM 9 N9 DA A 1 1.648 -9.641 -6.518 1.00 0.44 N ATOM 10 C8 DA A 1 2.097 -10.036 -5.303 1.00 0.47 C ATOM 11 N7 DA A 1 1.224 -10.195 -4.366 1.00 0.48 N ATOM 12 C5 DA A 1 0.039 -9.867 -5.030 1.00 0.45 C ATOM 13 C6 DA A 1 -1.296 -9.826 -4.619 1.00 0.48 C ATOM 14 N6 DA A 1 -1.688 -10.135 -3.383 1.00 0.51 N ATOM 15 N1 DA A 1 -2.212 -9.459 -5.530 1.00 0.53 N ATOM 16 C2 DA A 1 -1.842 -9.152 -6.776 1.00 0.54 C ATOM 17 N3 DA A 1 -0.611 -9.159 -7.272 1.00 0.50 N ATOM 18 C4 DA A 1 0.289 -9.529 -6.340 1.00 0.45 C ATOM 0 H5' DA A 1 4.208 -12.832 -7.585 1.00 0.73 H new ATOM 0 H5'' DA A 1 5.727 -12.005 -7.301 1.00 0.73 H new ATOM 0 H4' DA A 1 4.630 -11.095 -9.259 1.00 0.54 H new ATOM 0 H3' DA A 1 5.510 -9.541 -7.040 1.00 0.42 H new ATOM 0 H2' DA A 1 3.698 -8.264 -6.489 1.00 0.39 H new ATOM 0 H2'' DA A 1 3.631 -7.682 -8.140 1.00 0.39 H new ATOM 0 HO5' DA A 1 3.240 -11.554 -5.921 1.00 0.82 H new ATOM 0 H1' DA A 1 1.725 -8.876 -8.444 1.00 0.45 H new ATOM 0 H8 DA A 1 3.148 -10.212 -5.125 1.00 0.47 H new ATOM 0 H61 DA A 1 -2.676 -10.088 -3.135 1.00 0.51 H new ATOM 0 H62 DA A 1 -1.000 -10.418 -2.685 1.00 0.51 H new ATOM 0 H2 DA A 1 -2.632 -8.866 -7.455 1.00 0.54 H new ATOM 31 P DT A 2 6.376 -7.499 -8.777 1.00 0.34 P ATOM 32 OP1 DT A 2 7.267 -7.320 -9.945 1.00 0.42 O ATOM 33 OP2 DT A 2 6.940 -7.460 -7.409 1.00 0.44 O ATOM 34 O5' DT A 2 5.197 -6.417 -8.874 1.00 0.33 O ATOM 35 C5' DT A 2 4.518 -6.208 -10.113 1.00 0.30 C ATOM 36 C4' DT A 2 3.295 -5.327 -9.927 1.00 0.29 C ATOM 37 O4' DT A 2 2.290 -5.993 -9.130 1.00 0.30 O ATOM 38 C3' DT A 2 3.675 -4.039 -9.212 1.00 0.29 C ATOM 39 O3' DT A 2 3.623 -2.918 -10.099 1.00 0.35 O ATOM 40 C2' DT A 2 2.682 -3.895 -8.092 1.00 0.28 C ATOM 41 C1' DT A 2 1.698 -5.037 -8.231 1.00 0.27 C ATOM 42 N1 DT A 2 1.394 -5.629 -6.913 1.00 0.28 N ATOM 43 C2 DT A 2 0.067 -5.702 -6.541 1.00 0.29 C ATOM 44 O2 DT A 2 -0.842 -5.345 -7.285 1.00 0.31 O ATOM 45 N3 DT A 2 -0.182 -6.202 -5.280 1.00 0.31 N ATOM 46 C4 DT A 2 0.763 -6.633 -4.371 1.00 0.33 C ATOM 47 O4 DT A 2 0.419 -7.053 -3.267 1.00 0.39 O ATOM 48 C5 DT A 2 2.125 -6.528 -4.848 1.00 0.32 C ATOM 49 C7 DT A 2 3.275 -6.972 -3.947 1.00 0.37 C ATOM 50 C6 DT A 2 2.392 -6.040 -6.079 1.00 0.30 C ATOM 0 H5' DT A 2 4.217 -7.168 -10.533 1.00 0.30 H new ATOM 0 H5'' DT A 2 5.197 -5.746 -10.829 1.00 0.30 H new ATOM 0 H4' DT A 2 2.898 -5.113 -10.919 1.00 0.29 H new ATOM 0 H3' DT A 2 4.698 -4.075 -8.839 1.00 0.29 H new ATOM 0 H2' DT A 2 3.183 -3.932 -7.124 1.00 0.28 H new ATOM 0 H2'' DT A 2 2.170 -2.934 -8.150 1.00 0.28 H new ATOM 0 H1' DT A 2 0.745 -4.691 -8.632 1.00 0.27 H new ATOM 0 H3 DT A 2 -1.159 -6.259 -4.991 1.00 0.31 H new ATOM 0 H71 DT A 2 4.101 -7.332 -4.561 1.00 0.37 H new ATOM 0 H72 DT A 2 3.612 -6.128 -3.344 1.00 0.37 H new ATOM 0 H73 DT A 2 2.935 -7.774 -3.291 1.00 0.37 H new ATOM 0 H6 DT A 2 3.418 -5.974 -6.410 1.00 0.30 H new ATOM 63 P DG A 3 3.892 -1.431 -9.546 1.00 0.39 P ATOM 64 OP1 DG A 3 4.251 -0.567 -10.693 1.00 0.49 O ATOM 65 OP2 DG A 3 4.795 -1.523 -8.376 1.00 0.44 O ATOM 66 O5' DG A 3 2.437 -0.997 -9.020 1.00 0.35 O ATOM 67 C5' DG A 3 1.340 -0.866 -9.936 1.00 0.34 C ATOM 68 C4' DG A 3 0.325 0.166 -9.475 1.00 0.32 C ATOM 69 O4' DG A 3 -0.253 -0.216 -8.205 1.00 0.32 O ATOM 70 C3' DG A 3 0.981 1.529 -9.304 1.00 0.34 C ATOM 71 O3' DG A 3 0.515 2.445 -10.304 1.00 0.40 O ATOM 72 C2' DG A 3 0.614 1.985 -7.915 1.00 0.37 C ATOM 73 C1' DG A 3 -0.287 0.920 -7.320 1.00 0.33 C ATOM 74 N9 DG A 3 0.151 0.554 -5.962 1.00 0.29 N ATOM 75 C8 DG A 3 1.399 0.436 -5.465 1.00 0.28 C ATOM 76 N7 DG A 3 1.526 0.096 -4.219 1.00 0.27 N ATOM 77 C5 DG A 3 0.182 -0.025 -3.830 1.00 0.25 C ATOM 78 C6 DG A 3 -0.384 -0.371 -2.570 1.00 0.25 C ATOM 79 O6 DG A 3 0.195 -0.639 -1.515 1.00 0.28 O ATOM 80 N1 DG A 3 -1.773 -0.373 -2.619 1.00 0.28 N ATOM 81 C2 DG A 3 -2.530 -0.076 -3.736 1.00 0.32 C ATOM 82 N2 DG A 3 -3.853 -0.097 -3.581 1.00 0.40 N ATOM 83 N3 DG A 3 -2.006 0.247 -4.917 1.00 0.32 N ATOM 84 C4 DG A 3 -0.658 0.255 -4.897 1.00 0.27 C ATOM 0 H5' DG A 3 0.847 -1.832 -10.050 1.00 0.34 H new ATOM 0 H5'' DG A 3 1.721 -0.585 -10.918 1.00 0.34 H new ATOM 0 H4' DG A 3 -0.452 0.219 -10.238 1.00 0.32 H new ATOM 0 H3' DG A 3 2.063 1.479 -9.425 1.00 0.34 H new ATOM 0 H2' DG A 3 1.507 2.119 -7.305 1.00 0.37 H new ATOM 0 H2'' DG A 3 0.103 2.947 -7.948 1.00 0.37 H new ATOM 0 H1' DG A 3 -1.307 1.293 -7.225 1.00 0.33 H new ATOM 0 H8 DG A 3 2.265 0.619 -6.084 1.00 0.28 H new ATOM 0 H1 DG A 3 -2.273 -0.613 -1.763 1.00 0.28 H new ATOM 0 H21 DG A 3 -4.462 0.114 -4.371 1.00 0.40 H new ATOM 0 H22 DG A 3 -4.256 -0.324 -2.672 1.00 0.40 H new ATOM 96 P DC A 4 0.687 4.037 -10.126 1.00 0.37 P ATOM 97 OP1 DC A 4 0.572 4.669 -11.457 1.00 0.46 O ATOM 98 OP2 DC A 4 1.881 4.291 -9.288 1.00 0.40 O ATOM 99 O5' DC A 4 -0.619 4.418 -9.271 1.00 0.31 O ATOM 100 C5' DC A 4 -1.924 4.132 -9.785 1.00 0.35 C ATOM 101 C4' DC A 4 -3.006 4.484 -8.774 1.00 0.41 C ATOM 102 O4' DC A 4 -2.894 3.657 -7.595 1.00 0.48 O ATOM 103 C3' DC A 4 -2.879 5.937 -8.351 1.00 0.38 C ATOM 104 O3' DC A 4 -3.961 6.724 -8.859 1.00 0.50 O ATOM 105 C2' DC A 4 -2.870 5.925 -6.848 1.00 0.43 C ATOM 106 C1' DC A 4 -2.915 4.475 -6.407 1.00 0.46 C ATOM 107 N1 DC A 4 -1.767 4.168 -5.527 1.00 0.40 N ATOM 108 C2 DC A 4 -2.035 3.735 -4.236 1.00 0.45 C ATOM 109 O2 DC A 4 -3.191 3.609 -3.846 1.00 0.55 O ATOM 110 N3 DC A 4 -0.985 3.469 -3.416 1.00 0.40 N ATOM 111 C4 DC A 4 0.275 3.618 -3.837 1.00 0.34 C ATOM 112 N4 DC A 4 1.276 3.364 -2.993 1.00 0.35 N ATOM 113 C5 DC A 4 0.559 4.061 -5.166 1.00 0.32 C ATOM 114 C6 DC A 4 -0.489 4.324 -5.972 1.00 0.34 C ATOM 0 H5' DC A 4 -1.993 3.075 -10.041 1.00 0.35 H new ATOM 0 H5'' DC A 4 -2.086 4.694 -10.705 1.00 0.35 H new ATOM 0 H4' DC A 4 -3.971 4.315 -9.251 1.00 0.41 H new ATOM 0 H3' DC A 4 -1.971 6.389 -8.750 1.00 0.38 H new ATOM 0 H2' DC A 4 -1.975 6.415 -6.465 1.00 0.43 H new ATOM 0 H2'' DC A 4 -3.726 6.473 -6.454 1.00 0.43 H new ATOM 0 H1' DC A 4 -3.820 4.275 -5.834 1.00 0.46 H new ATOM 0 H41 DC A 4 2.242 3.473 -3.300 1.00 0.35 H new ATOM 0 H42 DC A 4 1.075 3.060 -2.040 1.00 0.35 H new ATOM 0 H5 DC A 4 1.575 4.181 -5.511 1.00 0.32 H new ATOM 0 H6 DC A 4 -0.313 4.662 -6.982 1.00 0.34 H new ATOM 126 P DA A 5 -3.979 8.319 -8.647 1.00 0.52 P ATOM 127 OP1 DA A 5 -4.839 8.917 -9.692 1.00 0.68 O ATOM 128 OP2 DA A 5 -2.582 8.785 -8.486 1.00 0.51 O ATOM 129 O5' DA A 5 -4.728 8.470 -7.230 1.00 0.49 O ATOM 130 C5' DA A 5 -6.071 8.003 -7.075 1.00 0.50 C ATOM 131 C4' DA A 5 -6.784 8.682 -5.911 1.00 0.47 C ATOM 132 O4' DA A 5 -6.113 8.418 -4.661 1.00 0.42 O ATOM 133 C3' DA A 5 -6.833 10.187 -6.112 1.00 0.48 C ATOM 134 O3' DA A 5 -8.150 10.618 -6.476 1.00 0.60 O ATOM 135 C2' DA A 5 -6.410 10.782 -4.798 1.00 0.42 C ATOM 136 C1' DA A 5 -6.003 9.635 -3.895 1.00 0.38 C ATOM 137 N9 DA A 5 -4.628 9.822 -3.407 1.00 0.34 N ATOM 138 C8 DA A 5 -3.549 10.299 -4.062 1.00 0.36 C ATOM 139 N7 DA A 5 -2.438 10.382 -3.405 1.00 0.35 N ATOM 140 C5 DA A 5 -2.822 9.898 -2.148 1.00 0.31 C ATOM 141 C6 DA A 5 -2.125 9.709 -0.949 1.00 0.32 C ATOM 142 N6 DA A 5 -0.828 9.978 -0.810 1.00 0.36 N ATOM 143 N1 DA A 5 -2.813 9.215 0.097 1.00 0.32 N ATOM 144 C2 DA A 5 -4.109 8.920 -0.027 1.00 0.33 C ATOM 145 N3 DA A 5 -4.864 9.057 -1.112 1.00 0.33 N ATOM 146 C4 DA A 5 -4.154 9.555 -2.143 1.00 0.31 C ATOM 0 H5' DA A 5 -6.063 6.925 -6.915 1.00 0.50 H new ATOM 0 H5'' DA A 5 -6.626 8.185 -7.995 1.00 0.50 H new ATOM 0 H4' DA A 5 -7.795 8.275 -5.878 1.00 0.47 H new ATOM 0 H3' DA A 5 -6.179 10.504 -6.924 1.00 0.48 H new ATOM 0 H2' DA A 5 -5.579 11.474 -4.939 1.00 0.42 H new ATOM 0 H2'' DA A 5 -7.226 11.351 -4.353 1.00 0.42 H new ATOM 0 H1' DA A 5 -6.652 9.591 -3.020 1.00 0.38 H new ATOM 0 H8 DA A 5 -3.611 10.601 -5.097 1.00 0.36 H new ATOM 0 H61 DA A 5 -0.368 9.822 0.087 1.00 0.36 H new ATOM 0 H62 DA A 5 -0.295 10.340 -1.601 1.00 0.36 H new ATOM 0 H2 DA A 5 -4.598 8.526 0.852 1.00 0.33 H new ATOM 158 P DT A 6 -8.544 12.181 -6.440 1.00 0.66 P ATOM 159 OP1 DT A 6 -9.873 12.338 -7.071 1.00 0.83 O ATOM 160 OP2 DT A 6 -7.393 12.965 -6.943 1.00 0.70 O ATOM 161 O5' DT A 6 -8.699 12.465 -4.862 1.00 0.58 O ATOM 162 C5' DT A 6 -9.730 11.818 -4.108 1.00 0.59 C ATOM 163 C4' DT A 6 -9.674 12.200 -2.632 1.00 0.54 C ATOM 164 O4' DT A 6 -8.439 11.756 -2.036 1.00 0.50 O ATOM 165 C3' DT A 6 -9.769 13.711 -2.454 1.00 0.56 C ATOM 166 O3' DT A 6 -10.983 14.074 -1.789 1.00 0.66 O ATOM 167 C2' DT A 6 -8.569 14.101 -1.635 1.00 0.53 C ATOM 168 C1' DT A 6 -7.874 12.813 -1.238 1.00 0.48 C ATOM 169 N1 DT A 6 -6.413 12.906 -1.438 1.00 0.46 N ATOM 170 C2 DT A 6 -5.601 12.602 -0.361 1.00 0.48 C ATOM 171 O2 DT A 6 -6.053 12.263 0.731 1.00 0.54 O ATOM 172 N3 DT A 6 -4.244 12.700 -0.581 1.00 0.48 N ATOM 173 C4 DT A 6 -3.632 13.068 -1.763 1.00 0.46 C ATOM 174 O4 DT A 6 -2.408 13.114 -1.841 1.00 0.48 O ATOM 175 C5 DT A 6 -4.555 13.367 -2.835 1.00 0.45 C ATOM 176 C7 DT A 6 -4.014 13.799 -4.196 1.00 0.50 C ATOM 177 C6 DT A 6 -5.887 13.278 -2.645 1.00 0.45 C ATOM 0 H5' DT A 6 -9.630 10.737 -4.208 1.00 0.59 H new ATOM 0 H5'' DT A 6 -10.704 12.088 -4.517 1.00 0.59 H new ATOM 0 H4' DT A 6 -10.520 11.717 -2.144 1.00 0.54 H new ATOM 0 H3' DT A 6 -9.782 14.226 -3.415 1.00 0.56 H new ATOM 0 H2' DT A 6 -7.899 14.740 -2.210 1.00 0.53 H new ATOM 0 H2'' DT A 6 -8.870 14.666 -0.753 1.00 0.53 H new ATOM 0 HO3' DT A 6 -11.020 15.048 -1.685 1.00 0.66 H new ATOM 0 H1' DT A 6 -8.028 12.614 -0.177 1.00 0.48 H new ATOM 0 H3 DT A 6 -3.633 12.479 0.205 1.00 0.48 H new ATOM 0 H71 DT A 6 -4.702 13.480 -4.979 1.00 0.50 H new ATOM 0 H72 DT A 6 -3.915 14.884 -4.220 1.00 0.50 H new ATOM 0 H73 DT A 6 -3.038 13.342 -4.361 1.00 0.50 H new ATOM 0 H6 DT A 6 -6.553 13.505 -3.464 1.00 0.45 H new TER 191 DT A 6 ATOM 192 O5' DA B 11 2.019 12.841 6.551 1.00 0.82 O ATOM 193 C5' DA B 11 1.487 13.172 7.837 1.00 0.73 C ATOM 194 C4' DA B 11 0.319 12.265 8.212 1.00 0.54 C ATOM 195 O4' DA B 11 -0.770 12.422 7.276 1.00 0.54 O ATOM 196 C3' DA B 11 0.746 10.805 8.201 1.00 0.42 C ATOM 197 O3' DA B 11 0.446 10.182 9.456 1.00 0.36 O ATOM 198 C2' DA B 11 -0.021 10.162 7.075 1.00 0.38 C ATOM 199 C1' DA B 11 -0.916 11.232 6.476 1.00 0.44 C ATOM 200 N9 DA B 11 -0.555 11.511 5.072 1.00 0.43 N ATOM 201 C8 DA B 11 0.663 11.721 4.515 1.00 0.46 C ATOM 202 N7 DA B 11 0.705 11.979 3.251 1.00 0.47 N ATOM 203 C5 DA B 11 -0.650 11.937 2.912 1.00 0.44 C ATOM 204 C6 DA B 11 -1.329 12.126 1.705 1.00 0.47 C ATOM 205 N6 DA B 11 -0.714 12.415 0.560 1.00 0.50 N ATOM 206 N1 DA B 11 -2.668 12.012 1.725 1.00 0.52 N ATOM 207 C2 DA B 11 -3.306 11.730 2.864 1.00 0.53 C ATOM 208 N3 DA B 11 -2.764 11.533 4.060 1.00 0.49 N ATOM 209 C4 DA B 11 -1.422 11.652 4.014 1.00 0.44 C ATOM 0 H5' DA B 11 1.157 14.211 7.838 1.00 0.73 H new ATOM 0 H5'' DA B 11 2.271 13.086 8.589 1.00 0.73 H new ATOM 0 H4' DA B 11 -0.006 12.550 9.213 1.00 0.54 H new ATOM 0 H3' DA B 11 1.821 10.699 8.055 1.00 0.42 H new ATOM 0 H2' DA B 11 0.660 9.764 6.323 1.00 0.38 H new ATOM 0 H2'' DA B 11 -0.614 9.325 7.442 1.00 0.38 H new ATOM 0 HO5' DA B 11 1.348 13.029 5.861 1.00 0.82 H new ATOM 0 H1' DA B 11 -1.951 10.889 6.478 1.00 0.44 H new ATOM 0 H8 DA B 11 1.565 11.674 5.107 1.00 0.46 H new ATOM 0 H61 DA B 11 -1.258 12.543 -0.293 1.00 0.50 H new ATOM 0 H62 DA B 11 0.301 12.508 0.536 1.00 0.50 H new ATOM 0 H2 DA B 11 -4.382 11.654 2.806 1.00 0.53 H new ATOM 222 P DT B 12 0.873 8.658 9.748 1.00 0.34 P ATOM 223 OP1 DT B 12 0.683 8.394 11.192 1.00 0.42 O ATOM 224 OP2 DT B 12 2.192 8.412 9.123 1.00 0.43 O ATOM 225 O5' DT B 12 -0.238 7.836 8.937 1.00 0.32 O ATOM 226 C5' DT B 12 -1.600 7.853 9.370 1.00 0.30 C ATOM 227 C4' DT B 12 -2.513 7.215 8.337 1.00 0.29 C ATOM 228 O4' DT B 12 -2.561 8.004 7.128 1.00 0.31 O ATOM 229 C3' DT B 12 -2.006 5.829 7.966 1.00 0.30 C ATOM 230 O3' DT B 12 -2.856 4.807 8.493 1.00 0.36 O ATOM 231 C2' DT B 12 -1.986 5.797 6.461 1.00 0.28 C ATOM 232 C1' DT B 12 -2.559 7.119 5.992 1.00 0.28 C ATOM 233 N1 DT B 12 -1.769 7.663 4.868 1.00 0.28 N ATOM 234 C2 DT B 12 -2.448 7.965 3.705 1.00 0.28 C ATOM 235 O2 DT B 12 -3.666 7.847 3.609 1.00 0.30 O ATOM 236 N3 DT B 12 -1.677 8.413 2.652 1.00 0.30 N ATOM 237 C4 DT B 12 -0.308 8.585 2.658 1.00 0.33 C ATOM 238 O4 DT B 12 0.273 8.983 1.649 1.00 0.38 O ATOM 239 C5 DT B 12 0.320 8.251 3.918 1.00 0.32 C ATOM 240 C7 DT B 12 1.832 8.397 4.070 1.00 0.37 C ATOM 241 C6 DT B 12 -0.412 7.811 4.962 1.00 0.30 C ATOM 0 H5' DT B 12 -1.914 8.881 9.551 1.00 0.30 H new ATOM 0 H5'' DT B 12 -1.690 7.321 10.317 1.00 0.30 H new ATOM 0 H4' DT B 12 -3.507 7.154 8.779 1.00 0.29 H new ATOM 0 H3' DT B 12 -1.018 5.640 8.385 1.00 0.30 H new ATOM 0 H2' DT B 12 -0.970 5.662 6.090 1.00 0.28 H new ATOM 0 H2'' DT B 12 -2.577 4.963 6.083 1.00 0.28 H new ATOM 0 H1' DT B 12 -3.575 6.996 5.616 1.00 0.28 H new ATOM 0 H3 DT B 12 -2.166 8.639 1.786 1.00 0.30 H new ATOM 0 H71 DT B 12 2.072 8.631 5.107 1.00 0.37 H new ATOM 0 H72 DT B 12 2.318 7.463 3.787 1.00 0.37 H new ATOM 0 H73 DT B 12 2.187 9.201 3.425 1.00 0.37 H new ATOM 0 H6 DT B 12 0.083 7.571 5.891 1.00 0.30 H new ATOM 254 P DG B 13 -2.576 3.261 8.150 1.00 0.40 P ATOM 255 OP1 DG B 13 -3.261 2.428 9.164 1.00 0.51 O ATOM 256 OP2 DG B 13 -1.124 3.091 7.909 1.00 0.44 O ATOM 257 O5' DG B 13 -3.338 3.082 6.747 1.00 0.36 O ATOM 258 C5' DG B 13 -4.762 3.233 6.667 1.00 0.35 C ATOM 259 C4' DG B 13 -5.369 2.388 5.560 1.00 0.33 C ATOM 260 O4' DG B 13 -4.849 2.782 4.271 1.00 0.32 O ATOM 261 C3' DG B 13 -5.049 0.914 5.769 1.00 0.35 C ATOM 262 O3' DG B 13 -6.233 0.181 6.115 1.00 0.41 O ATOM 263 C2' DG B 13 -4.462 0.437 4.465 1.00 0.38 C ATOM 264 C1' DG B 13 -4.496 1.612 3.507 1.00 0.33 C ATOM 265 N9 DG B 13 -3.192 1.787 2.838 1.00 0.29 N ATOM 266 C8 DG B 13 -1.942 1.625 3.327 1.00 0.29 C ATOM 267 N7 DG B 13 -0.947 1.844 2.522 1.00 0.27 N ATOM 268 C5 DG B 13 -1.619 2.194 1.340 1.00 0.25 C ATOM 269 C6 DG B 13 -1.104 2.553 0.061 1.00 0.25 C ATOM 270 O6 DG B 13 0.072 2.625 -0.301 1.00 0.28 O ATOM 271 N1 DG B 13 -2.126 2.828 -0.840 1.00 0.28 N ATOM 272 C2 DG B 13 -3.476 2.765 -0.555 1.00 0.32 C ATOM 273 N2 DG B 13 -4.309 3.032 -1.561 1.00 0.40 N ATOM 274 N3 DG B 13 -3.964 2.432 0.639 1.00 0.32 N ATOM 275 C4 DG B 13 -2.992 2.161 1.533 1.00 0.27 C ATOM 0 H5' DG B 13 -5.005 4.282 6.496 1.00 0.35 H new ATOM 0 H5'' DG B 13 -5.209 2.954 7.621 1.00 0.35 H new ATOM 0 H4' DG B 13 -6.448 2.543 5.589 1.00 0.33 H new ATOM 0 H3' DG B 13 -4.351 0.762 6.592 1.00 0.35 H new ATOM 0 H2' DG B 13 -3.440 0.085 4.608 1.00 0.38 H new ATOM 0 H2'' DG B 13 -5.035 -0.401 4.068 1.00 0.38 H new ATOM 0 H1' DG B 13 -5.230 1.439 2.720 1.00 0.33 H new ATOM 0 H8 DG B 13 -1.777 1.324 4.351 1.00 0.29 H new ATOM 0 H1 DG B 13 -1.858 3.098 -1.786 1.00 0.28 H new ATOM 0 H21 DG B 13 -5.317 3.001 -1.410 1.00 0.40 H new ATOM 0 H22 DG B 13 -3.938 3.267 -2.482 1.00 0.40 H new ATOM 287 P DC B 14 -6.295 -1.423 5.974 1.00 0.37 P ATOM 288 OP1 DC B 14 -7.398 -1.923 6.821 1.00 0.46 O ATOM 289 OP2 DC B 14 -4.928 -1.964 6.145 1.00 0.41 O ATOM 290 O5' DC B 14 -6.719 -1.603 4.434 1.00 0.32 O ATOM 291 C5' DC B 14 -7.940 -1.033 3.952 1.00 0.36 C ATOM 292 C4' DC B 14 -8.094 -1.240 2.452 1.00 0.41 C ATOM 293 O4' DC B 14 -7.059 -0.539 1.729 1.00 0.48 O ATOM 294 C3' DC B 14 -7.995 -2.718 2.111 1.00 0.39 C ATOM 295 O3' DC B 14 -9.260 -3.240 1.691 1.00 0.50 O ATOM 296 C2' DC B 14 -6.972 -2.819 1.012 1.00 0.43 C ATOM 297 C1' DC B 14 -6.427 -1.422 0.778 1.00 0.46 C ATOM 298 N1 DC B 14 -4.957 -1.407 0.934 1.00 0.40 N ATOM 299 C2 DC B 14 -4.192 -1.025 -0.158 1.00 0.44 C ATOM 300 O2 DC B 14 -4.727 -0.704 -1.215 1.00 0.56 O ATOM 301 N3 DC B 14 -2.839 -1.027 -0.029 1.00 0.40 N ATOM 302 C4 DC B 14 -2.256 -1.388 1.118 1.00 0.34 C ATOM 303 N4 DC B 14 -0.925 -1.395 1.194 1.00 0.35 N ATOM 304 C5 DC B 14 -3.037 -1.780 2.248 1.00 0.32 C ATOM 305 C6 DC B 14 -4.377 -1.776 2.113 1.00 0.34 C ATOM 0 H5' DC B 14 -7.960 0.033 4.178 1.00 0.36 H new ATOM 0 H5'' DC B 14 -8.785 -1.485 4.472 1.00 0.36 H new ATOM 0 H4' DC B 14 -9.071 -0.852 2.164 1.00 0.41 H new ATOM 0 H3' DC B 14 -7.702 -3.306 2.981 1.00 0.39 H new ATOM 0 H2' DC B 14 -6.171 -3.503 1.293 1.00 0.43 H new ATOM 0 H2'' DC B 14 -7.423 -3.214 0.102 1.00 0.43 H new ATOM 0 H1' DC B 14 -6.645 -1.092 -0.238 1.00 0.46 H new ATOM 0 H41 DC B 14 -0.465 -1.668 2.063 1.00 0.35 H new ATOM 0 H42 DC B 14 -0.367 -1.127 0.384 1.00 0.35 H new ATOM 0 H5 DC B 14 -2.570 -2.069 3.178 1.00 0.32 H new ATOM 0 H6 DC B 14 -4.999 -2.068 2.946 1.00 0.34 H new ATOM 317 P DA B 15 -9.435 -4.812 1.395 1.00 0.52 P ATOM 318 OP1 DA B 15 -10.868 -5.153 1.534 1.00 0.67 O ATOM 319 OP2 DA B 15 -8.421 -5.550 2.182 1.00 0.51 O ATOM 320 O5' DA B 15 -9.042 -4.915 -0.161 1.00 0.48 O ATOM 321 C5' DA B 15 -9.804 -4.207 -1.145 1.00 0.50 C ATOM 322 C4' DA B 15 -9.653 -4.818 -2.535 1.00 0.47 C ATOM 323 O4' DA B 15 -8.278 -4.781 -2.975 1.00 0.43 O ATOM 324 C3' DA B 15 -10.109 -6.268 -2.542 1.00 0.48 C ATOM 325 O3' DA B 15 -11.375 -6.407 -3.197 1.00 0.60 O ATOM 326 C2' DA B 15 -9.032 -7.027 -3.269 1.00 0.42 C ATOM 327 C1' DA B 15 -7.913 -6.047 -3.560 1.00 0.38 C ATOM 328 N9 DA B 15 -6.640 -6.534 -3.003 1.00 0.35 N ATOM 329 C8 DA B 15 -6.402 -7.165 -1.830 1.00 0.36 C ATOM 330 N7 DA B 15 -5.184 -7.508 -1.574 1.00 0.35 N ATOM 331 C5 DA B 15 -4.518 -7.050 -2.716 1.00 0.32 C ATOM 332 C6 DA B 15 -3.177 -7.088 -3.110 1.00 0.33 C ATOM 333 N6 DA B 15 -2.212 -7.613 -2.356 1.00 0.37 N ATOM 334 N1 DA B 15 -2.866 -6.547 -4.301 1.00 0.33 N ATOM 335 C2 DA B 15 -3.815 -5.997 -5.061 1.00 0.34 C ATOM 336 N3 DA B 15 -5.112 -5.905 -4.786 1.00 0.34 N ATOM 337 C4 DA B 15 -5.398 -6.456 -3.590 1.00 0.32 C ATOM 0 H5' DA B 15 -9.484 -3.165 -1.170 1.00 0.50 H new ATOM 0 H5'' DA B 15 -10.856 -4.210 -0.860 1.00 0.50 H new ATOM 0 H4' DA B 15 -10.273 -4.227 -3.209 1.00 0.47 H new ATOM 0 H3' DA B 15 -10.251 -6.649 -1.531 1.00 0.48 H new ATOM 0 H2' DA B 15 -8.669 -7.856 -2.662 1.00 0.42 H new ATOM 0 H2'' DA B 15 -9.420 -7.454 -4.194 1.00 0.42 H new ATOM 0 H1' DA B 15 -7.773 -5.938 -4.635 1.00 0.38 H new ATOM 0 H8 DA B 15 -7.201 -7.374 -1.134 1.00 0.36 H new ATOM 0 H61 DA B 15 -1.248 -7.616 -2.690 1.00 0.37 H new ATOM 0 H62 DA B 15 -2.437 -8.012 -1.445 1.00 0.37 H new ATOM 0 H2 DA B 15 -3.493 -5.580 -6.004 1.00 0.34 H new ATOM 349 P DT B 16 -11.930 -7.861 -3.614 1.00 0.66 P ATOM 350 OP1 DT B 16 -13.333 -7.710 -4.061 1.00 0.83 O ATOM 351 OP2 DT B 16 -11.601 -8.816 -2.531 1.00 0.69 O ATOM 352 O5' DT B 16 -11.029 -8.222 -4.900 1.00 0.58 O ATOM 353 C5' DT B 16 -11.131 -7.445 -6.098 1.00 0.59 C ATOM 354 C4' DT B 16 -10.165 -7.935 -7.172 1.00 0.54 C ATOM 355 O4' DT B 16 -8.797 -7.783 -6.740 1.00 0.51 O ATOM 356 C3' DT B 16 -10.401 -9.408 -7.487 1.00 0.56 C ATOM 357 O3' DT B 16 -10.884 -9.575 -8.824 1.00 0.65 O ATOM 358 C2' DT B 16 -9.067 -10.082 -7.311 1.00 0.53 C ATOM 359 C1' DT B 16 -8.057 -8.985 -7.029 1.00 0.49 C ATOM 360 N1 DT B 16 -7.172 -9.346 -5.902 1.00 0.47 N ATOM 361 C2 DT B 16 -5.808 -9.285 -6.118 1.00 0.49 C ATOM 362 O2 DT B 16 -5.326 -8.944 -7.197 1.00 0.55 O ATOM 363 N3 DT B 16 -5.010 -9.628 -5.048 1.00 0.49 N ATOM 364 C4 DT B 16 -5.444 -10.021 -3.798 1.00 0.46 C ATOM 365 O4 DT B 16 -4.634 -10.299 -2.918 1.00 0.49 O ATOM 366 C5 DT B 16 -6.882 -10.057 -3.659 1.00 0.46 C ATOM 367 C7 DT B 16 -7.500 -10.486 -2.331 1.00 0.50 C ATOM 368 C6 DT B 16 -7.687 -9.725 -4.690 1.00 0.46 C ATOM 0 H5' DT B 16 -10.924 -6.399 -5.872 1.00 0.59 H new ATOM 0 H5'' DT B 16 -12.152 -7.493 -6.477 1.00 0.59 H new ATOM 0 H4' DT B 16 -10.344 -7.332 -8.062 1.00 0.54 H new ATOM 0 H3' DT B 16 -11.157 -9.839 -6.831 1.00 0.56 H new ATOM 0 H2' DT B 16 -9.101 -10.797 -6.489 1.00 0.53 H new ATOM 0 H2'' DT B 16 -8.794 -10.639 -8.207 1.00 0.53 H new ATOM 0 HO3' DT B 16 -11.026 -10.528 -9.004 1.00 0.65 H new ATOM 0 H1' DT B 16 -7.411 -8.837 -7.894 1.00 0.49 H new ATOM 0 H3 DT B 16 -4.001 -9.588 -5.194 1.00 0.49 H new ATOM 0 H71 DT B 16 -8.458 -9.983 -2.196 1.00 0.50 H new ATOM 0 H72 DT B 16 -7.654 -11.565 -2.333 1.00 0.50 H new ATOM 0 H73 DT B 16 -6.831 -10.216 -1.514 1.00 0.50 H new ATOM 0 H6 DT B 16 -8.758 -9.759 -4.557 1.00 0.46 H new TER 382 DT B 16 HETATM 383 C1 XR2 A 21 1.349 -3.261 -3.525 1.00 0.22 C HETATM 384 C2 XR2 A 21 1.402 -2.879 -4.859 1.00 0.24 C HETATM 385 C3 XR2 A 21 0.241 -2.769 -5.608 1.00 0.25 C HETATM 386 C4 XR2 A 21 -0.983 -3.058 -5.011 1.00 0.25 C HETATM 387 C12 XR2 A 21 -1.040 -3.455 -3.671 1.00 0.22 C HETATM 388 C11 XR2 A 21 0.135 -3.557 -2.928 1.00 0.20 C HETATM 389 N5 XR2 A 21 -2.258 -3.721 -3.170 1.00 0.25 N HETATM 390 N10 XR2 A 21 0.050 -3.952 -1.616 1.00 0.22 N HETATM 391 C13 XR2 A 21 -2.307 -4.104 -1.881 1.00 0.24 C HETATM 392 C14 XR2 A 21 -1.183 -4.232 -1.074 1.00 0.23 C HETATM 393 C6 XR2 A 21 -3.570 -4.382 -1.355 1.00 0.29 C HETATM 394 C7 XR2 A 21 -3.711 -4.789 -0.027 1.00 0.32 C HETATM 395 C8 XR2 A 21 -2.580 -4.913 0.778 1.00 0.30 C HETATM 396 C9 XR2 A 21 -1.340 -4.647 0.283 1.00 0.27 C HETATM 397 C9A XR2 A 21 -0.121 -4.803 1.193 1.00 0.32 C HETATM 398 C XR2 A 21 2.644 -3.248 -2.744 1.00 0.25 C HETATM 399 O XR2 A 21 2.663 -3.756 -1.621 1.00 0.31 O HETATM 400 N XR2 A 21 3.417 -2.220 -3.005 1.00 0.27 N HETATM 401 CA XR2 A 21 4.572 -1.849 -2.136 1.00 0.33 C HETATM 402 CB XR2 A 21 3.960 -1.089 -0.946 1.00 0.45 C HETATM 403 NG XR2 A 21 2.856 -0.246 -1.517 1.00 0.38 N HETATM 404 CD XR2 A 21 2.750 0.975 -0.661 1.00 0.44 C HETATM 405 N' XR2 A 21 1.660 3.653 3.095 1.00 0.27 N HETATM 406 C' XR2 A 21 1.483 4.790 2.464 1.00 0.25 C HETATM 407 O' XR2 A 21 2.352 5.202 1.694 1.00 0.32 O HETATM 408 C1' XR2 A 21 0.035 5.110 2.164 1.00 0.22 C HETATM 409 C2' XR2 A 21 -0.901 4.822 3.149 1.00 0.24 C HETATM 410 C3' XR2 A 21 -2.257 4.994 2.909 1.00 0.25 C HETATM 411 C4' XR2 A 21 -2.669 5.473 1.665 1.00 0.25 C HETATM 412 CCX XR2 A 21 -1.726 5.776 0.675 1.00 0.22 C HETATM 413 N5' XR2 A 21 -2.203 6.236 -0.494 1.00 0.24 N HETATM 414 CDX XR2 A 21 -1.293 6.527 -1.441 1.00 0.23 C HETATM 415 CEX XR2 A 21 0.077 6.375 -1.265 1.00 0.22 C HETATM 416 NAX XR2 A 21 0.534 5.901 -0.057 1.00 0.22 N HETATM 417 CBX XR2 A 21 -0.369 5.593 0.931 1.00 0.20 C HETATM 418 C9' XR2 A 21 0.962 6.714 -2.332 1.00 0.26 C HETATM 419 C8' XR2 A 21 0.465 7.181 -3.510 1.00 0.29 C HETATM 420 C7' XR2 A 21 -0.907 7.338 -3.692 1.00 0.30 C HETATM 421 C6' XR2 A 21 -1.783 7.008 -2.657 1.00 0.28 C HETATM 422 C9X XR2 A 21 2.475 6.564 -2.164 1.00 0.32 C HETATM 423 CA' XR2 A 21 2.998 3.002 3.209 1.00 0.32 C HETATM 424 CB' XR2 A 21 3.221 2.292 1.862 1.00 0.45 C HETATM 425 NG' XR2 A 21 1.890 1.723 1.466 1.00 0.38 N HETATM 426 CD' XR2 A 21 2.162 0.487 0.672 1.00 0.45 C HETATM 0 HG2' XR2 A 21 1.330 1.506 2.291 1.00 0.38 H new HETATM 0 HG1' XR2 A 21 1.359 2.397 0.914 1.00 0.38 H new HETATM 0 HD2' XR2 A 21 1.248 -0.085 0.512 1.00 0.45 H new HETATM 0 HD1' XR2 A 21 2.861 -0.168 1.193 1.00 0.45 H new HETATM 0 HB2' XR2 A 21 3.586 2.991 1.109 1.00 0.45 H new HETATM 0 HB1' XR2 A 21 3.969 1.505 1.956 1.00 0.45 H new HETATM 0 HA2' XR2 A 21 3.779 3.739 3.399 1.00 0.32 H new HETATM 0 HA1' XR2 A 21 3.021 2.292 4.036 1.00 0.32 H new HETATM 0 H93' XR2 A 21 2.813 7.191 -1.339 1.00 0.32 H new HETATM 0 H92' XR2 A 21 2.716 5.523 -1.950 1.00 0.32 H new HETATM 0 H91' XR2 A 21 2.975 6.871 -3.082 1.00 0.32 H new HETATM 0 H10' XR2 A 21 1.534 5.779 0.103 1.00 0.22 H new HETATM 0 HN' XR2 A 21 0.854 3.198 3.523 1.00 0.27 H new HETATM 0 HN XR2 A 21 3.221 -1.655 -3.831 1.00 0.27 H new HETATM 0 HG2 XR2 A 21 3.059 0.008 -2.484 1.00 0.38 H new HETATM 0 HG1 XR2 A 21 1.975 -0.760 -1.522 1.00 0.38 H new HETATM 0 HD2 XR2 A 21 3.726 1.438 -0.514 1.00 0.44 H new HETATM 0 HD1 XR2 A 21 2.108 1.725 -1.123 1.00 0.44 H new HETATM 0 HB2 XR2 A 21 3.575 -1.781 -0.197 1.00 0.45 H new HETATM 0 HB1 XR2 A 21 4.709 -0.469 -0.452 1.00 0.45 H new HETATM 0 HA2 XR2 A 21 5.112 -2.735 -1.801 1.00 0.33 H new HETATM 0 HA1 XR2 A 21 5.285 -1.226 -2.675 1.00 0.33 H new HETATM 0 H93 XR2 A 21 0.554 -5.548 0.772 1.00 0.32 H new HETATM 0 H92 XR2 A 21 0.397 -3.848 1.274 1.00 0.32 H new HETATM 0 H91 XR2 A 21 -0.445 -5.125 2.183 1.00 0.32 H new HETATM 0 H8' XR2 A 21 1.148 7.435 -4.320 1.00 0.29 H new HETATM 0 H8 XR2 A 21 -2.690 -5.227 1.816 1.00 0.30 H new HETATM 0 H7' XR2 A 21 -1.294 7.717 -4.638 1.00 0.30 H new HETATM 0 H7 XR2 A 21 -4.699 -5.008 0.378 1.00 0.32 H new HETATM 0 H6' XR2 A 21 -2.857 7.127 -2.799 1.00 0.28 H new HETATM 0 H6 XR2 A 21 -4.453 -4.280 -1.986 1.00 0.29 H new HETATM 0 H4' XR2 A 21 -3.731 5.612 1.463 1.00 0.25 H new HETATM 0 H4 XR2 A 21 -1.902 -2.974 -5.591 1.00 0.25 H new HETATM 0 H3' XR2 A 21 -2.989 4.758 3.681 1.00 0.25 H new HETATM 0 H3 XR2 A 21 0.286 -2.460 -6.652 1.00 0.25 H new HETATM 0 H2' XR2 A 21 -0.567 4.457 4.120 1.00 0.24 H new HETATM 0 H2 XR2 A 21 2.365 -2.664 -5.321 1.00 0.24 H new HETATM 0 H10 XR2 A 21 0.893 -4.037 -1.048 1.00 0.22 H new