USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= -0.0117 USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.43! (180deg=-4.01!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 PSO O14 : rot 180:sc= 0.209 USER MOD Single : B 9 DG O5' : rot -32:sc= 0.0801 USER MOD Single : B 12 DT C7 :methyl 150:sc= -3.46! (180deg=-3.46!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.459 -12.066 8.548 1.00 0.00 O ATOM 2 C5' DG A 1 -2.713 -12.949 9.358 1.00 0.00 C ATOM 3 C4' DG A 1 -1.201 -12.672 9.314 1.00 0.00 C ATOM 4 O4' DG A 1 -0.568 -13.237 8.164 1.00 0.00 O ATOM 5 C3' DG A 1 -0.850 -11.200 9.332 1.00 0.00 C ATOM 6 O3' DG A 1 0.329 -11.013 10.094 1.00 0.00 O ATOM 7 C2' DG A 1 -0.690 -10.923 7.859 1.00 0.00 C ATOM 8 C1' DG A 1 -0.184 -12.214 7.248 1.00 0.00 C ATOM 9 N9 DG A 1 -0.796 -12.439 5.913 1.00 0.00 N ATOM 10 C8 DG A 1 -2.095 -12.793 5.657 1.00 0.00 C ATOM 11 N7 DG A 1 -2.398 -12.885 4.397 1.00 0.00 N ATOM 12 C5 DG A 1 -1.203 -12.593 3.756 1.00 0.00 C ATOM 13 C6 DG A 1 -0.910 -12.574 2.364 1.00 0.00 C ATOM 14 O6 DG A 1 -1.684 -12.759 1.429 1.00 0.00 O ATOM 15 N1 DG A 1 0.420 -12.311 2.099 1.00 0.00 N ATOM 16 C2 DG A 1 1.365 -12.061 3.063 1.00 0.00 C ATOM 17 N2 DG A 1 2.610 -11.842 2.648 1.00 0.00 N ATOM 18 N3 DG A 1 1.098 -12.043 4.381 1.00 0.00 N ATOM 19 C4 DG A 1 -0.205 -12.330 4.667 1.00 0.00 C ATOM 0 H5' DG A 1 -2.899 -13.974 9.036 1.00 0.00 H new ATOM 0 H5'' DG A 1 -3.061 -12.871 10.388 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.834 -13.145 10.225 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.573 -10.528 9.794 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.638 -10.624 7.412 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.013 -10.108 7.689 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.411 -12.288 8.613 1.00 0.00 H new ATOM 0 H1' DG A 1 0.895 -12.196 7.092 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.812 -12.981 6.443 1.00 0.00 H new ATOM 0 H1 DG A 1 0.719 -12.302 1.124 1.00 0.00 H new ATOM 0 H21 DG A 1 3.348 -11.652 3.326 1.00 0.00 H new ATOM 0 H22 DG A 1 2.827 -11.864 1.652 1.00 0.00 H new ATOM 32 P DC A 2 0.933 -9.556 10.421 1.00 0.00 P ATOM 33 OP1 DC A 2 1.566 -9.611 11.756 1.00 0.00 O ATOM 34 OP2 DC A 2 -0.104 -8.540 10.138 1.00 0.00 O ATOM 35 O5' DC A 2 2.087 -9.414 9.311 1.00 0.00 O ATOM 36 C5' DC A 2 3.123 -10.368 9.234 1.00 0.00 C ATOM 37 C4' DC A 2 4.227 -9.930 8.269 1.00 0.00 C ATOM 38 O4' DC A 2 3.830 -9.995 6.902 1.00 0.00 O ATOM 39 C3' DC A 2 4.687 -8.497 8.524 1.00 0.00 C ATOM 40 O3' DC A 2 6.087 -8.557 8.343 1.00 0.00 O ATOM 41 C2' DC A 2 3.882 -7.725 7.472 1.00 0.00 C ATOM 42 C1' DC A 2 3.782 -8.706 6.294 1.00 0.00 C ATOM 43 N1 DC A 2 2.494 -8.656 5.521 1.00 0.00 N ATOM 44 C2 DC A 2 2.513 -8.950 4.159 1.00 0.00 C ATOM 45 O2 DC A 2 3.573 -9.174 3.579 1.00 0.00 O ATOM 46 N3 DC A 2 1.342 -8.992 3.449 1.00 0.00 N ATOM 47 C4 DC A 2 0.174 -8.773 4.071 1.00 0.00 C ATOM 48 N4 DC A 2 -0.957 -8.916 3.389 1.00 0.00 N ATOM 49 C5 DC A 2 0.109 -8.496 5.468 1.00 0.00 C ATOM 50 C6 DC A 2 1.281 -8.477 6.139 1.00 0.00 C ATOM 0 H5' DC A 2 2.713 -11.324 8.908 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.548 -10.524 10.226 1.00 0.00 H new ATOM 0 H4' DC A 2 5.038 -10.634 8.457 1.00 0.00 H new ATOM 0 H3' DC A 2 4.525 -8.025 9.493 1.00 0.00 H new ATOM 0 H2' DC A 2 2.897 -7.448 7.846 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.384 -6.802 7.182 1.00 0.00 H new ATOM 0 H1' DC A 2 4.574 -8.464 5.585 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.853 -8.753 3.848 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.929 -9.189 2.407 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.831 -8.310 5.965 1.00 0.00 H new ATOM 0 H6 DC A 2 1.263 -8.314 7.207 1.00 0.00 H new ATOM 62 P DG A 3 7.021 -7.263 8.340 1.00 0.00 P ATOM 63 OP1 DG A 3 8.396 -7.671 8.697 1.00 0.00 O ATOM 64 OP2 DG A 3 6.345 -6.180 9.087 1.00 0.00 O ATOM 65 O5' DG A 3 6.950 -6.939 6.774 1.00 0.00 O ATOM 66 C5' DG A 3 7.434 -7.862 5.820 1.00 0.00 C ATOM 67 C4' DG A 3 7.582 -7.188 4.458 1.00 0.00 C ATOM 68 O4' DG A 3 6.300 -7.109 3.878 1.00 0.00 O ATOM 69 C3' DG A 3 8.145 -5.771 4.615 1.00 0.00 C ATOM 70 O3' DG A 3 9.047 -5.502 3.559 1.00 0.00 O ATOM 71 C2' DG A 3 6.851 -4.961 4.582 1.00 0.00 C ATOM 72 C1' DG A 3 5.988 -5.761 3.625 1.00 0.00 C ATOM 73 N9 DG A 3 4.538 -5.580 3.822 1.00 0.00 N ATOM 74 C8 DG A 3 3.829 -5.299 4.961 1.00 0.00 C ATOM 75 N7 DG A 3 2.543 -5.479 4.842 1.00 0.00 N ATOM 76 C5 DG A 3 2.376 -5.820 3.501 1.00 0.00 C ATOM 77 C6 DG A 3 1.195 -6.032 2.723 1.00 0.00 C ATOM 78 O6 DG A 3 0.025 -6.060 3.104 1.00 0.00 O ATOM 79 N1 DG A 3 1.474 -6.222 1.379 1.00 0.00 N ATOM 80 C2 DG A 3 2.742 -6.237 0.840 1.00 0.00 C ATOM 81 N2 DG A 3 2.906 -6.391 -0.467 1.00 0.00 N ATOM 82 N3 DG A 3 3.849 -6.063 1.560 1.00 0.00 N ATOM 83 C4 DG A 3 3.594 -5.851 2.872 1.00 0.00 C ATOM 0 H5' DG A 3 6.750 -8.707 5.743 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.396 -8.259 6.143 1.00 0.00 H new ATOM 0 H4' DG A 3 8.266 -7.764 3.835 1.00 0.00 H new ATOM 0 H3' DG A 3 8.736 -5.562 5.507 1.00 0.00 H new ATOM 0 H2' DG A 3 6.396 -4.882 5.569 1.00 0.00 H new ATOM 0 H2'' DG A 3 7.017 -3.944 4.226 1.00 0.00 H new ATOM 0 H1' DG A 3 6.195 -5.429 2.608 1.00 0.00 H new ATOM 0 H8 DG A 3 4.294 -4.959 5.875 1.00 0.00 H new ATOM 0 H1 DG A 3 0.687 -6.360 0.745 1.00 0.00 H new ATOM 0 H21 DG A 3 3.845 -6.402 -0.865 1.00 0.00 H new ATOM 0 H22 DG A 3 2.093 -6.498 -1.074 1.00 0.00 H new ATOM 95 P DT A 4 9.966 -4.175 3.536 1.00 0.00 P ATOM 96 OP1 DT A 4 11.259 -4.522 2.909 1.00 0.00 O ATOM 97 OP2 DT A 4 9.939 -3.560 4.881 1.00 0.00 O ATOM 98 O5' DT A 4 9.140 -3.239 2.532 1.00 0.00 O ATOM 99 C5' DT A 4 9.097 -3.544 1.156 1.00 0.00 C ATOM 100 C4' DT A 4 7.824 -2.963 0.551 1.00 0.00 C ATOM 101 O4' DT A 4 6.670 -3.403 1.258 1.00 0.00 O ATOM 102 C3' DT A 4 7.720 -1.446 0.640 1.00 0.00 C ATOM 103 O3' DT A 4 8.507 -0.731 -0.289 1.00 0.00 O ATOM 104 C2' DT A 4 6.230 -1.335 0.354 1.00 0.00 C ATOM 105 C1' DT A 4 5.586 -2.656 0.737 1.00 0.00 C ATOM 106 N1 DT A 4 4.435 -2.519 1.675 1.00 0.00 N ATOM 107 C2 DT A 4 3.178 -2.984 1.314 1.00 0.00 C ATOM 108 O2 DT A 4 2.905 -3.357 0.178 1.00 0.00 O ATOM 109 N3 DT A 4 2.215 -3.017 2.293 1.00 0.00 N ATOM 110 C4 DT A 4 2.303 -2.507 3.561 1.00 0.00 C ATOM 111 O4 DT A 4 1.454 -2.785 4.403 1.00 0.00 O ATOM 112 C5 DT A 4 3.471 -1.586 3.885 1.00 0.00 C ATOM 113 C7 DT A 4 4.091 -1.816 5.263 1.00 0.00 C ATOM 114 C6 DT A 4 4.577 -1.583 2.823 1.00 0.00 C ATOM 0 H5' DT A 4 9.123 -4.624 1.010 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.973 -3.133 0.653 1.00 0.00 H new ATOM 0 H4' DT A 4 7.872 -3.296 -0.486 1.00 0.00 H new ATOM 0 H3' DT A 4 8.085 -1.016 1.573 1.00 0.00 H new ATOM 0 H2' DT A 4 5.791 -0.516 0.924 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.058 -1.117 -0.700 1.00 0.00 H new ATOM 0 H1' DT A 4 5.111 -3.150 -0.110 1.00 0.00 H new ATOM 0 H3 DT A 4 1.336 -3.472 2.048 1.00 0.00 H new ATOM 0 H71 DT A 4 3.327 -2.181 5.949 1.00 0.00 H new ATOM 0 H72 DT A 4 4.890 -2.553 5.184 1.00 0.00 H new ATOM 0 H73 DT A 4 4.499 -0.878 5.640 1.00 0.00 H new ATOM 0 H6 DT A 4 5.429 -0.925 2.905 1.00 0.00 H new ATOM 127 P DA A 5 8.451 0.884 -0.334 1.00 0.00 P ATOM 128 OP1 DA A 5 9.666 1.355 -1.033 1.00 0.00 O ATOM 129 OP2 DA A 5 8.163 1.375 1.031 1.00 0.00 O ATOM 130 O5' DA A 5 7.161 1.199 -1.262 1.00 0.00 O ATOM 131 C5' DA A 5 7.323 1.263 -2.662 1.00 0.00 C ATOM 132 C4' DA A 5 6.056 1.362 -3.521 1.00 0.00 C ATOM 133 O4' DA A 5 4.892 1.268 -2.704 1.00 0.00 O ATOM 134 C3' DA A 5 6.066 2.713 -4.224 1.00 0.00 C ATOM 135 O3' DA A 5 5.287 2.728 -5.402 1.00 0.00 O ATOM 136 C2' DA A 5 5.446 3.448 -3.064 1.00 0.00 C ATOM 137 C1' DA A 5 4.292 2.546 -2.653 1.00 0.00 C ATOM 138 N9 DA A 5 3.756 2.875 -1.315 1.00 0.00 N ATOM 139 C8 DA A 5 4.450 3.011 -0.144 1.00 0.00 C ATOM 140 N7 DA A 5 3.702 3.206 0.908 1.00 0.00 N ATOM 141 C5 DA A 5 2.409 3.205 0.388 1.00 0.00 C ATOM 142 C6 DA A 5 1.132 3.319 0.972 1.00 0.00 C ATOM 143 N6 DA A 5 0.972 3.368 2.291 1.00 0.00 N ATOM 144 N1 DA A 5 0.040 3.299 0.181 1.00 0.00 N ATOM 145 C2 DA A 5 0.219 3.159 -1.128 1.00 0.00 C ATOM 146 N3 DA A 5 1.358 3.032 -1.800 1.00 0.00 N ATOM 147 C4 DA A 5 2.433 3.052 -0.971 1.00 0.00 C ATOM 0 H5' DA A 5 7.874 0.377 -2.977 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.950 2.125 -2.888 1.00 0.00 H new ATOM 0 H4' DA A 5 6.039 0.547 -4.245 1.00 0.00 H new ATOM 0 H3' DA A 5 7.012 3.092 -4.612 1.00 0.00 H new ATOM 0 H2' DA A 5 6.157 3.587 -2.250 1.00 0.00 H new ATOM 0 H2'' DA A 5 5.098 4.439 -3.356 1.00 0.00 H new ATOM 0 H1' DA A 5 3.415 2.641 -3.293 1.00 0.00 H new ATOM 0 H8 DA A 5 5.528 2.961 -0.094 1.00 0.00 H new ATOM 0 H61 DA A 5 0.036 3.451 2.689 1.00 0.00 H new ATOM 0 H62 DA A 5 1.785 3.323 2.905 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.681 3.147 -1.725 1.00 0.00 H new ATOM 159 P DC A 6 5.168 4.067 -6.307 1.00 0.00 P ATOM 160 OP1 DC A 6 5.187 3.662 -7.729 1.00 0.00 O ATOM 161 OP2 DC A 6 6.143 5.063 -5.812 1.00 0.00 O ATOM 162 O5' DC A 6 3.692 4.581 -5.930 1.00 0.00 O ATOM 163 C5' DC A 6 2.595 3.774 -6.276 1.00 0.00 C ATOM 164 C4' DC A 6 1.237 4.406 -5.988 1.00 0.00 C ATOM 165 O4' DC A 6 0.975 4.497 -4.583 1.00 0.00 O ATOM 166 C3' DC A 6 1.082 5.823 -6.564 1.00 0.00 C ATOM 167 O3' DC A 6 -0.182 5.931 -7.204 1.00 0.00 O ATOM 168 C2' DC A 6 1.154 6.698 -5.311 1.00 0.00 C ATOM 169 C1' DC A 6 0.613 5.825 -4.192 1.00 0.00 C ATOM 170 N1 DC A 6 1.115 6.170 -2.834 1.00 0.00 N ATOM 171 C2 DC A 6 0.187 6.398 -1.819 1.00 0.00 C ATOM 172 O2 DC A 6 -1.013 6.522 -2.043 1.00 0.00 O ATOM 173 N3 DC A 6 0.602 6.489 -0.532 1.00 0.00 N ATOM 174 C4 DC A 6 1.900 6.440 -0.241 1.00 0.00 C ATOM 175 N4 DC A 6 2.234 6.374 1.041 1.00 0.00 N ATOM 176 C5 DC A 6 2.890 6.293 -1.265 1.00 0.00 C ATOM 177 C6 DC A 6 2.450 6.161 -2.538 1.00 0.00 C ATOM 0 H5' DC A 6 2.667 2.831 -5.734 1.00 0.00 H new ATOM 0 H5'' DC A 6 2.654 3.536 -7.338 1.00 0.00 H new ATOM 0 H4' DC A 6 0.527 3.738 -6.477 1.00 0.00 H new ATOM 0 H3' DC A 6 1.827 6.098 -7.311 1.00 0.00 H new ATOM 0 H2' DC A 6 2.178 7.012 -5.107 1.00 0.00 H new ATOM 0 H2'' DC A 6 0.560 7.604 -5.427 1.00 0.00 H new ATOM 0 H1' DC A 6 -0.463 5.963 -4.081 1.00 0.00 H new ATOM 0 H41 DC A 6 3.217 6.335 1.311 1.00 0.00 H new ATOM 0 H42 DC A 6 1.508 6.363 1.757 1.00 0.00 H new ATOM 0 H5 DC A 6 3.944 6.288 -1.031 1.00 0.00 H new ATOM 0 H6 DC A 6 3.168 6.046 -3.337 1.00 0.00 H new ATOM 189 P DG A 7 -0.689 7.305 -7.901 1.00 0.00 P ATOM 190 OP1 DG A 7 -1.606 6.940 -9.003 1.00 0.00 O ATOM 191 OP2 DG A 7 0.501 8.135 -8.188 1.00 0.00 O ATOM 192 O5' DG A 7 -1.548 8.050 -6.742 1.00 0.00 O ATOM 193 C5' DG A 7 -2.819 7.557 -6.366 1.00 0.00 C ATOM 194 C4' DG A 7 -3.608 8.466 -5.414 1.00 0.00 C ATOM 195 O4' DG A 7 -2.989 8.535 -4.145 1.00 0.00 O ATOM 196 C3' DG A 7 -3.751 9.901 -5.929 1.00 0.00 C ATOM 197 O3' DG A 7 -5.079 10.312 -5.640 1.00 0.00 O ATOM 198 C2' DG A 7 -2.664 10.621 -5.147 1.00 0.00 C ATOM 199 C1' DG A 7 -2.705 9.884 -3.818 1.00 0.00 C ATOM 200 N9 DG A 7 -1.475 9.885 -3.005 1.00 0.00 N ATOM 201 C8 DG A 7 -0.172 9.784 -3.407 1.00 0.00 C ATOM 202 N7 DG A 7 0.676 9.613 -2.430 1.00 0.00 N ATOM 203 C5 DG A 7 -0.127 9.605 -1.288 1.00 0.00 C ATOM 204 C6 DG A 7 0.205 9.474 0.097 1.00 0.00 C ATOM 205 O6 DG A 7 1.316 9.354 0.604 1.00 0.00 O ATOM 206 N1 DG A 7 -0.908 9.491 0.925 1.00 0.00 N ATOM 207 C2 DG A 7 -2.194 9.661 0.482 1.00 0.00 C ATOM 208 N2 DG A 7 -3.171 9.681 1.379 1.00 0.00 N ATOM 209 N3 DG A 7 -2.517 9.812 -0.806 1.00 0.00 N ATOM 210 C4 DG A 7 -1.443 9.762 -1.637 1.00 0.00 C ATOM 0 H5' DG A 7 -2.690 6.584 -5.892 1.00 0.00 H new ATOM 0 H5'' DG A 7 -3.412 7.397 -7.267 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.597 8.013 -5.346 1.00 0.00 H new ATOM 0 H3' DG A 7 -3.622 10.077 -6.997 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.690 10.541 -5.630 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.877 11.684 -5.033 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.440 10.403 -3.202 1.00 0.00 H new ATOM 0 H8 DG A 7 0.129 9.841 -4.443 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.760 9.369 1.927 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.137 9.806 1.078 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.956 9.571 2.370 1.00 0.00 H new ATOM 222 P DC A 8 -5.673 11.742 -6.080 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.126 11.587 -6.309 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.812 12.286 -7.152 1.00 0.00 O ATOM 225 O5' DC A 8 -5.451 12.628 -4.757 1.00 0.00 O ATOM 226 C5' DC A 8 -6.353 12.588 -3.667 1.00 0.00 C ATOM 227 C4' DC A 8 -5.771 13.367 -2.478 1.00 0.00 C ATOM 228 O4' DC A 8 -4.657 12.647 -1.960 1.00 0.00 O ATOM 229 C3' DC A 8 -5.259 14.763 -2.890 1.00 0.00 C ATOM 230 O3' DC A 8 -5.534 15.740 -1.907 1.00 0.00 O ATOM 231 C2' DC A 8 -3.764 14.495 -2.986 1.00 0.00 C ATOM 232 C1' DC A 8 -3.619 13.583 -1.766 1.00 0.00 C ATOM 233 N1 DC A 8 -2.271 13.018 -1.542 1.00 0.00 N ATOM 234 C2 DC A 8 -1.812 12.828 -0.238 1.00 0.00 C ATOM 235 O2 DC A 8 -2.586 12.816 0.716 1.00 0.00 O ATOM 236 N3 DC A 8 -0.474 12.651 -0.020 1.00 0.00 N ATOM 237 C4 DC A 8 0.389 12.723 -1.042 1.00 0.00 C ATOM 238 N4 DC A 8 1.678 12.515 -0.812 1.00 0.00 N ATOM 239 C5 DC A 8 -0.067 12.950 -2.378 1.00 0.00 C ATOM 240 C6 DC A 8 -1.386 13.063 -2.561 1.00 0.00 C ATOM 0 H5' DC A 8 -6.542 11.554 -3.378 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.311 13.017 -3.960 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.568 13.484 -1.744 1.00 0.00 H new ATOM 0 H3' DC A 8 -5.719 15.156 -3.797 1.00 0.00 H new ATOM 0 H2' DC A 8 -3.481 14.004 -3.917 1.00 0.00 H new ATOM 0 H2'' DC A 8 -3.166 15.403 -2.909 1.00 0.00 H new ATOM 0 HO3' DC A 8 -5.193 16.609 -2.205 1.00 0.00 H new ATOM 0 H1' DC A 8 -3.717 14.123 -0.824 1.00 0.00 H new ATOM 0 H41 DC A 8 2.348 12.566 -1.580 1.00 0.00 H new ATOM 0 H42 DC A 8 2.000 12.304 0.133 1.00 0.00 H new ATOM 0 H5 DC A 8 0.625 13.027 -3.204 1.00 0.00 H new ATOM 0 H6 DC A 8 -1.760 13.196 -3.566 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 4.278 13.133 8.600 1.00 0.00 O ATOM 255 C5' DG B 9 3.809 11.998 9.295 1.00 0.00 C ATOM 256 C4' DG B 9 2.301 12.137 9.530 1.00 0.00 C ATOM 257 O4' DG B 9 1.609 12.537 8.354 1.00 0.00 O ATOM 258 C3' DG B 9 1.677 10.832 9.974 1.00 0.00 C ATOM 259 O3' DG B 9 0.625 11.121 10.880 1.00 0.00 O ATOM 260 C2' DG B 9 1.210 10.220 8.656 1.00 0.00 C ATOM 261 C1' DG B 9 1.045 11.404 7.705 1.00 0.00 C ATOM 262 N9 DG B 9 1.645 11.249 6.352 1.00 0.00 N ATOM 263 C8 DG B 9 2.945 10.978 5.994 1.00 0.00 C ATOM 264 N7 DG B 9 3.190 11.092 4.721 1.00 0.00 N ATOM 265 C5 DG B 9 1.968 11.468 4.180 1.00 0.00 C ATOM 266 C6 DG B 9 1.615 11.783 2.835 1.00 0.00 C ATOM 267 O6 DG B 9 2.350 11.831 1.852 1.00 0.00 O ATOM 268 N1 DG B 9 0.267 12.061 2.681 1.00 0.00 N ATOM 269 C2 DG B 9 -0.635 12.080 3.715 1.00 0.00 C ATOM 270 N2 DG B 9 -1.909 12.325 3.432 1.00 0.00 N ATOM 271 N3 DG B 9 -0.307 11.839 4.992 1.00 0.00 N ATOM 272 C4 DG B 9 1.010 11.539 5.161 1.00 0.00 C ATOM 0 H5' DG B 9 4.330 11.899 10.247 1.00 0.00 H new ATOM 0 H5'' DG B 9 4.018 11.094 8.722 1.00 0.00 H new ATOM 0 H4' DG B 9 2.205 12.896 10.306 1.00 0.00 H new ATOM 0 H3' DG B 9 2.333 10.145 10.509 1.00 0.00 H new ATOM 0 H2' DG B 9 1.938 9.505 8.273 1.00 0.00 H new ATOM 0 H2'' DG B 9 0.271 9.682 8.782 1.00 0.00 H new ATOM 0 HO5' DG B 9 3.575 13.464 8.002 1.00 0.00 H new ATOM 0 H1' DG B 9 -0.022 11.501 7.506 1.00 0.00 H new ATOM 0 H8 DG B 9 3.701 10.694 6.711 1.00 0.00 H new ATOM 0 H1 DG B 9 -0.076 12.264 1.742 1.00 0.00 H new ATOM 0 H21 DG B 9 -2.603 12.346 4.180 1.00 0.00 H new ATOM 0 H22 DG B 9 -2.194 12.493 2.467 1.00 0.00 H new ATOM 285 P DC B 10 -0.212 9.975 11.649 1.00 0.00 P ATOM 286 OP1 DC B 10 -0.824 10.580 12.851 1.00 0.00 O ATOM 287 OP2 DC B 10 0.652 8.782 11.781 1.00 0.00 O ATOM 288 O5' DC B 10 -1.378 9.645 10.590 1.00 0.00 O ATOM 289 C5' DC B 10 -2.340 10.623 10.256 1.00 0.00 C ATOM 290 C4' DC B 10 -3.053 10.246 8.956 1.00 0.00 C ATOM 291 O4' DC B 10 -2.145 10.241 7.865 1.00 0.00 O ATOM 292 C3' DC B 10 -3.701 8.854 8.998 1.00 0.00 C ATOM 293 O3' DC B 10 -5.076 9.039 8.719 1.00 0.00 O ATOM 294 C2' DC B 10 -2.930 8.102 7.901 1.00 0.00 C ATOM 295 C1' DC B 10 -2.557 9.233 6.964 1.00 0.00 C ATOM 296 N1 DC B 10 -1.513 8.891 5.962 1.00 0.00 N ATOM 297 C2 DC B 10 -1.743 9.107 4.603 1.00 0.00 C ATOM 298 O2 DC B 10 -2.846 9.469 4.194 1.00 0.00 O ATOM 299 N3 DC B 10 -0.727 8.916 3.707 1.00 0.00 N ATOM 300 C4 DC B 10 0.453 8.445 4.132 1.00 0.00 C ATOM 301 N4 DC B 10 1.472 8.411 3.281 1.00 0.00 N ATOM 302 C5 DC B 10 0.690 8.150 5.510 1.00 0.00 C ATOM 303 C6 DC B 10 -0.312 8.402 6.374 1.00 0.00 C ATOM 0 H5' DC B 10 -1.858 11.594 10.145 1.00 0.00 H new ATOM 0 H5'' DC B 10 -3.067 10.718 11.063 1.00 0.00 H new ATOM 0 H4' DC B 10 -3.830 11.000 8.833 1.00 0.00 H new ATOM 0 H3' DC B 10 -3.653 8.305 9.938 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.052 7.589 8.295 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.546 7.349 7.410 1.00 0.00 H new ATOM 0 H1' DC B 10 -3.386 9.525 6.319 1.00 0.00 H new ATOM 0 H41 DC B 10 2.379 8.056 3.585 1.00 0.00 H new ATOM 0 H42 DC B 10 1.348 8.740 2.323 1.00 0.00 H new ATOM 0 H5 DC B 10 1.633 7.742 5.844 1.00 0.00 H new ATOM 0 H6 DC B 10 -0.158 8.210 7.426 1.00 0.00 H new ATOM 315 P DG B 11 -6.101 7.813 8.581 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.437 8.272 9.017 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.493 6.619 9.207 1.00 0.00 O ATOM 318 O5' DG B 11 -6.122 7.592 6.985 1.00 0.00 O ATOM 319 C5' DG B 11 -6.667 8.562 6.110 1.00 0.00 C ATOM 320 C4' DG B 11 -7.305 7.902 4.878 1.00 0.00 C ATOM 321 O4' DG B 11 -6.325 7.676 3.887 1.00 0.00 O ATOM 322 C3' DG B 11 -7.947 6.547 5.192 1.00 0.00 C ATOM 323 O3' DG B 11 -9.090 6.394 4.370 1.00 0.00 O ATOM 324 C2' DG B 11 -6.804 5.587 4.885 1.00 0.00 C ATOM 325 C1' DG B 11 -6.078 6.292 3.740 1.00 0.00 C ATOM 326 N9 DG B 11 -4.617 6.106 3.749 1.00 0.00 N ATOM 327 C8 DG B 11 -3.790 5.883 4.812 1.00 0.00 C ATOM 328 N7 DG B 11 -2.520 5.925 4.526 1.00 0.00 N ATOM 329 C5 DG B 11 -2.504 6.166 3.153 1.00 0.00 C ATOM 330 C6 DG B 11 -1.417 6.220 2.229 1.00 0.00 C ATOM 331 O6 DG B 11 -0.216 6.106 2.461 1.00 0.00 O ATOM 332 N1 DG B 11 -1.836 6.426 0.924 1.00 0.00 N ATOM 333 C2 DG B 11 -3.151 6.544 0.539 1.00 0.00 C ATOM 334 N2 DG B 11 -3.439 6.719 -0.743 1.00 0.00 N ATOM 335 N3 DG B 11 -4.178 6.454 1.387 1.00 0.00 N ATOM 336 C4 DG B 11 -3.785 6.272 2.673 1.00 0.00 C ATOM 0 H5' DG B 11 -5.884 9.250 5.793 1.00 0.00 H new ATOM 0 H5'' DG B 11 -7.416 9.153 6.638 1.00 0.00 H new ATOM 0 H4' DG B 11 -8.078 8.591 4.537 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.319 6.397 6.206 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.154 5.440 5.748 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.169 4.603 4.590 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.449 5.867 2.807 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.159 5.688 5.808 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.121 6.495 0.200 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.411 6.808 -1.040 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.689 6.765 -1.433 1.00 0.00 H new ATOM 348 P DT B 12 -10.031 5.092 4.452 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.382 5.466 3.982 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.856 4.479 5.786 1.00 0.00 O ATOM 351 O5' DT B 12 -9.343 4.136 3.358 1.00 0.00 O ATOM 352 C5' DT B 12 -9.674 4.244 1.991 1.00 0.00 C ATOM 353 C4' DT B 12 -8.748 3.372 1.141 1.00 0.00 C ATOM 354 O4' DT B 12 -7.498 3.982 0.869 1.00 0.00 O ATOM 355 C3' DT B 12 -8.473 1.985 1.717 1.00 0.00 C ATOM 356 O3' DT B 12 -9.484 1.042 1.399 1.00 0.00 O ATOM 357 C2' DT B 12 -7.207 1.701 0.922 1.00 0.00 C ATOM 358 C1' DT B 12 -6.642 2.990 0.311 1.00 0.00 C ATOM 359 N1 DT B 12 -5.289 3.167 0.846 1.00 0.00 N ATOM 360 C2 DT B 12 -4.123 3.393 0.112 1.00 0.00 C ATOM 361 O2 DT B 12 -4.123 3.585 -1.100 1.00 0.00 O ATOM 362 N3 DT B 12 -2.940 3.387 0.857 1.00 0.00 N ATOM 363 C4 DT B 12 -2.854 3.182 2.228 1.00 0.00 C ATOM 364 O4 DT B 12 -1.775 3.223 2.804 1.00 0.00 O ATOM 365 C5 DT B 12 -4.131 2.926 2.864 1.00 0.00 C ATOM 366 C7 DT B 12 -4.333 2.621 4.304 1.00 0.00 C ATOM 367 C6 DT B 12 -5.255 2.931 2.160 1.00 0.00 C ATOM 0 H5' DT B 12 -9.596 5.284 1.674 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.710 3.941 1.837 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.317 3.257 0.218 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.414 1.930 2.804 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.460 1.244 1.571 1.00 0.00 H new ATOM 0 H2'' DT B 12 -7.423 0.983 0.131 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.598 3.011 -0.778 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.068 3.546 0.352 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.311 2.985 4.619 1.00 0.00 H new ATOM 0 H72 DT B 12 -4.280 1.543 4.459 1.00 0.00 H new ATOM 0 H73 DT B 12 -3.557 3.110 4.892 1.00 0.00 H new ATOM 0 H6 DT B 12 -6.185 2.735 2.673 1.00 0.00 H new ATOM 380 P DA B 13 -9.288 -0.539 1.703 1.00 0.00 P ATOM 381 OP1 DA B 13 -10.445 -1.259 1.129 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.969 -0.682 3.139 1.00 0.00 O ATOM 383 O5' DA B 13 -7.965 -0.929 0.852 1.00 0.00 O ATOM 384 C5' DA B 13 -7.948 -0.840 -0.562 1.00 0.00 C ATOM 385 C4' DA B 13 -6.534 -0.615 -1.163 1.00 0.00 C ATOM 386 O4' DA B 13 -5.433 -0.844 -0.321 1.00 0.00 O ATOM 387 C3' DA B 13 -6.460 -1.637 -2.295 1.00 0.00 C ATOM 388 O3' DA B 13 -5.733 -1.162 -3.407 1.00 0.00 O ATOM 389 C2' DA B 13 -5.749 -2.750 -1.506 1.00 0.00 C ATOM 390 C1' DA B 13 -4.677 -1.933 -0.808 1.00 0.00 C ATOM 391 N9 DA B 13 -4.136 -2.543 0.409 1.00 0.00 N ATOM 392 C8 DA B 13 -4.764 -2.584 1.623 1.00 0.00 C ATOM 393 N7 DA B 13 -3.994 -2.931 2.618 1.00 0.00 N ATOM 394 C5 DA B 13 -2.749 -3.084 2.010 1.00 0.00 C ATOM 395 C6 DA B 13 -1.461 -3.346 2.505 1.00 0.00 C ATOM 396 N6 DA B 13 -1.215 -3.532 3.799 1.00 0.00 N ATOM 397 N1 DA B 13 -0.426 -3.329 1.653 1.00 0.00 N ATOM 398 C2 DA B 13 -0.642 -3.069 0.370 1.00 0.00 C ATOM 399 N3 DA B 13 -1.797 -2.811 -0.223 1.00 0.00 N ATOM 400 C4 DA B 13 -2.822 -2.827 0.666 1.00 0.00 C ATOM 0 H5' DA B 13 -8.598 -0.022 -0.872 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.367 -1.756 -0.979 1.00 0.00 H new ATOM 0 H4' DA B 13 -6.449 0.439 -1.427 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.400 -1.923 -2.767 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.414 -3.253 -0.803 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.331 -3.519 -2.155 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.845 -1.758 -1.490 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.811 -2.349 1.748 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.264 -3.720 4.115 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.978 -3.487 4.475 1.00 0.00 H new ATOM 0 H2 DA B 13 0.230 -3.068 -0.268 1.00 0.00 H new ATOM 412 P DC B 14 -5.665 -2.022 -4.772 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.499 -1.078 -5.898 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.799 -2.972 -4.777 1.00 0.00 O ATOM 415 O5' DC B 14 -4.308 -2.868 -4.597 1.00 0.00 O ATOM 416 C5' DC B 14 -3.068 -2.241 -4.827 1.00 0.00 C ATOM 417 C4' DC B 14 -1.879 -3.185 -4.648 1.00 0.00 C ATOM 418 O4' DC B 14 -1.699 -3.524 -3.267 1.00 0.00 O ATOM 419 C3' DC B 14 -2.014 -4.517 -5.407 1.00 0.00 C ATOM 420 O3' DC B 14 -0.959 -4.605 -6.355 1.00 0.00 O ATOM 421 C2' DC B 14 -1.932 -5.578 -4.312 1.00 0.00 C ATOM 422 C1' DC B 14 -1.306 -4.890 -3.113 1.00 0.00 C ATOM 423 N1 DC B 14 -1.766 -5.520 -1.854 1.00 0.00 N ATOM 424 C2 DC B 14 -0.827 -6.042 -0.978 1.00 0.00 C ATOM 425 O2 DC B 14 0.328 -6.269 -1.319 1.00 0.00 O ATOM 426 N3 DC B 14 -1.183 -6.311 0.298 1.00 0.00 N ATOM 427 C4 DC B 14 -2.448 -6.161 0.685 1.00 0.00 C ATOM 428 N4 DC B 14 -2.670 -6.271 1.988 1.00 0.00 N ATOM 429 C5 DC B 14 -3.481 -5.765 -0.240 1.00 0.00 C ATOM 430 C6 DC B 14 -3.078 -5.478 -1.501 1.00 0.00 C ATOM 0 H5' DC B 14 -2.961 -1.398 -4.145 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.054 -1.836 -5.839 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.032 -2.630 -5.052 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.938 -4.631 -5.975 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.921 -5.965 -4.068 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.329 -6.427 -4.635 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.220 -4.973 -3.061 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.616 -6.167 2.355 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.895 -6.459 2.623 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.518 -5.701 0.056 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.816 -5.210 -2.243 1.00 0.00 H new ATOM 442 P DG B 15 -0.719 -5.902 -7.295 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.197 -5.428 -8.594 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.942 -6.733 -7.257 1.00 0.00 O ATOM 445 O5' DG B 15 0.461 -6.704 -6.530 1.00 0.00 O ATOM 446 C5' DG B 15 1.754 -6.140 -6.430 1.00 0.00 C ATOM 447 C4' DG B 15 2.774 -7.063 -5.750 1.00 0.00 C ATOM 448 O4' DG B 15 2.363 -7.376 -4.432 1.00 0.00 O ATOM 449 C3' DG B 15 2.985 -8.390 -6.486 1.00 0.00 C ATOM 450 O3' DG B 15 4.376 -8.666 -6.428 1.00 0.00 O ATOM 451 C2' DG B 15 2.101 -9.335 -5.688 1.00 0.00 C ATOM 452 C1' DG B 15 2.258 -8.782 -4.279 1.00 0.00 C ATOM 453 N9 DG B 15 1.148 -9.050 -3.342 1.00 0.00 N ATOM 454 C8 DG B 15 -0.204 -8.981 -3.552 1.00 0.00 C ATOM 455 N7 DG B 15 -0.920 -9.096 -2.466 1.00 0.00 N ATOM 456 C5 DG B 15 0.029 -9.237 -1.453 1.00 0.00 C ATOM 457 C6 DG B 15 -0.116 -9.370 -0.036 1.00 0.00 C ATOM 458 O6 DG B 15 -1.150 -9.480 0.617 1.00 0.00 O ATOM 459 N1 DG B 15 1.102 -9.367 0.634 1.00 0.00 N ATOM 460 C2 DG B 15 2.321 -9.351 0.009 1.00 0.00 C ATOM 461 N2 DG B 15 3.415 -9.409 0.759 1.00 0.00 N ATOM 462 N3 DG B 15 2.472 -9.280 -1.316 1.00 0.00 N ATOM 463 C4 DG B 15 1.293 -9.195 -1.984 1.00 0.00 C ATOM 0 H5' DG B 15 1.692 -5.206 -5.871 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.111 -5.891 -7.429 1.00 0.00 H new ATOM 0 H4' DG B 15 3.711 -6.506 -5.759 1.00 0.00 H new ATOM 0 H3' DG B 15 2.722 -8.441 -7.542 1.00 0.00 H new ATOM 0 H2' DG B 15 1.065 -9.310 -6.025 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.435 -10.370 -5.762 1.00 0.00 H new ATOM 0 H1' DG B 15 3.123 -9.277 -3.837 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.640 -8.843 -4.531 1.00 0.00 H new ATOM 0 H1 DG B 15 1.087 -9.377 1.654 1.00 0.00 H new ATOM 0 H21 DG B 15 4.336 -9.399 0.320 1.00 0.00 H new ATOM 0 H22 DG B 15 3.335 -9.464 1.774 1.00 0.00 H new ATOM 475 P DC B 16 5.048 -9.971 -7.088 1.00 0.00 P ATOM 476 OP1 DC B 16 6.428 -9.624 -7.492 1.00 0.00 O ATOM 477 OP2 DC B 16 4.103 -10.517 -8.086 1.00 0.00 O ATOM 478 O5' DC B 16 5.115 -10.989 -5.846 1.00 0.00 O ATOM 479 C5' DC B 16 6.137 -10.917 -4.869 1.00 0.00 C ATOM 480 C4' DC B 16 5.840 -11.896 -3.722 1.00 0.00 C ATOM 481 O4' DC B 16 4.699 -11.431 -3.007 1.00 0.00 O ATOM 482 C3' DC B 16 5.511 -13.314 -4.236 1.00 0.00 C ATOM 483 O3' DC B 16 6.058 -14.321 -3.410 1.00 0.00 O ATOM 484 C2' DC B 16 3.992 -13.299 -4.145 1.00 0.00 C ATOM 485 C1' DC B 16 3.854 -12.546 -2.819 1.00 0.00 C ATOM 486 N1 DC B 16 2.471 -12.251 -2.396 1.00 0.00 N ATOM 487 C2 DC B 16 2.106 -12.351 -1.052 1.00 0.00 C ATOM 488 O2 DC B 16 2.943 -12.383 -0.151 1.00 0.00 O ATOM 489 N3 DC B 16 0.780 -12.413 -0.730 1.00 0.00 N ATOM 490 C4 DC B 16 -0.151 -12.436 -1.695 1.00 0.00 C ATOM 491 N4 DC B 16 -1.431 -12.473 -1.354 1.00 0.00 N ATOM 492 C5 DC B 16 0.215 -12.358 -3.073 1.00 0.00 C ATOM 493 C6 DC B 16 1.517 -12.245 -3.348 1.00 0.00 C ATOM 0 H5' DC B 16 6.209 -9.901 -4.481 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.100 -11.155 -5.321 1.00 0.00 H new ATOM 0 H4' DC B 16 6.731 -11.945 -3.096 1.00 0.00 H new ATOM 0 H3' DC B 16 5.914 -13.532 -5.225 1.00 0.00 H new ATOM 0 H2' DC B 16 3.523 -12.777 -4.979 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.560 -14.299 -4.111 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.825 -15.202 -3.770 1.00 0.00 H new ATOM 0 H1' DC B 16 4.153 -13.146 -1.960 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.151 -12.491 -2.076 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.696 -12.484 -0.369 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.527 -12.389 -3.857 1.00 0.00 H new ATOM 0 H6 DC B 16 1.819 -12.144 -4.380 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO A 9 -0.792 0.256 -0.348 1.00 0.00 O HETATM 508 C2 PSO A 9 -2.043 0.374 -0.093 1.00 0.00 C HETATM 509 C3 PSO A 9 -2.578 0.312 1.203 1.00 0.00 C HETATM 510 C4 PSO A 9 -1.709 0.105 2.265 1.00 0.00 C HETATM 511 C5 PSO A 9 0.619 0.044 2.999 1.00 0.00 C HETATM 512 C6 PSO A 9 1.976 0.103 2.664 1.00 0.00 C HETATM 513 C7 PSO A 9 2.373 0.098 1.372 1.00 0.00 C HETATM 514 C8 PSO A 9 1.419 0.048 0.333 1.00 0.00 C HETATM 515 C9 PSO A 9 0.037 0.147 0.637 1.00 0.00 C HETATM 516 C10 PSO A 9 -0.344 0.099 1.973 1.00 0.00 C HETATM 517 C4' PSO A 9 3.135 -0.106 3.597 1.00 0.00 C HETATM 518 C5' PSO A 9 4.214 -0.125 2.530 1.00 0.00 C HETATM 519 O6' PSO A 9 3.619 0.080 1.226 1.00 0.00 O HETATM 520 O11 PSO A 9 -2.815 0.551 -1.033 1.00 0.00 O HETATM 521 C12 PSO A 9 -2.218 -0.104 3.672 1.00 0.00 C HETATM 522 C13 PSO A 9 3.176 0.908 4.763 1.00 0.00 C HETATM 523 O14 PSO A 9 2.371 2.048 4.527 1.00 0.00 O HETATM 524 C15 PSO A 9 5.320 0.784 3.001 1.00 0.00 C HETATM 525 C16 PSO A 9 1.865 -0.117 -1.109 1.00 0.00 C HETATM 0 H163 PSO A 9 2.510 0.716 -1.388 1.00 0.00 H new HETATM 0 H162 PSO A 9 2.414 -1.052 -1.215 1.00 0.00 H new HETATM 0 H161 PSO A 9 0.991 -0.133 -1.760 1.00 0.00 H new HETATM 0 H153 PSO A 9 4.930 1.793 3.134 1.00 0.00 H new HETATM 0 H152 PSO A 9 5.712 0.418 3.950 1.00 0.00 H new HETATM 0 H151 PSO A 9 6.119 0.799 2.260 1.00 0.00 H new HETATM 0 H132 PSO A 9 2.843 0.417 5.677 1.00 0.00 H new HETATM 0 H131 PSO A 9 4.206 1.224 4.928 1.00 0.00 H new HETATM 0 H123 PSO A 9 -2.789 0.770 3.986 1.00 0.00 H new HETATM 0 H122 PSO A 9 -2.858 -0.986 3.700 1.00 0.00 H new HETATM 0 H121 PSO A 9 -1.374 -0.247 4.347 1.00 0.00 H new HETATM 0 H5 PSO A 9 0.311 -0.043 4.041 1.00 0.00 H new HETATM 0 H3 PSO A 9 -3.649 0.424 1.371 1.00 0.00 H new HETATM 0 H14 PSO A 9 2.431 2.655 5.294 1.00 0.00 H new