USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 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 NoAdj-H: B 1 PSO H3 : B 1 PSO C3 : B 12 DT C6 :(H bumps) USER MOD Single : A 1 DG O5' : rot 34:sc= 0.0724 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.7! (180deg=-1.7!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.406 USER MOD Single : B 9 DG O5' : rot -32:sc= 0.0327 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.68 (180deg=-1.68) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.299 -10.952 9.136 1.00 0.00 O ATOM 2 C5' DG A 1 -0.160 -11.382 9.846 1.00 0.00 C ATOM 3 C4' DG A 1 1.107 -11.055 9.049 1.00 0.00 C ATOM 4 O4' DG A 1 0.978 -11.574 7.732 1.00 0.00 O ATOM 5 C3' DG A 1 1.357 -9.545 8.933 1.00 0.00 C ATOM 6 O3' DG A 1 2.741 -9.324 9.134 1.00 0.00 O ATOM 7 C2' DG A 1 0.901 -9.257 7.505 1.00 0.00 C ATOM 8 C1' DG A 1 1.267 -10.555 6.791 1.00 0.00 C ATOM 9 N9 DG A 1 0.477 -10.782 5.558 1.00 0.00 N ATOM 10 C8 DG A 1 -0.887 -10.777 5.411 1.00 0.00 C ATOM 11 N7 DG A 1 -1.301 -11.079 4.214 1.00 0.00 N ATOM 12 C5 DG A 1 -0.126 -11.317 3.508 1.00 0.00 C ATOM 13 C6 DG A 1 0.072 -11.675 2.140 1.00 0.00 C ATOM 14 O6 DG A 1 -0.780 -11.879 1.278 1.00 0.00 O ATOM 15 N1 DG A 1 1.410 -11.790 1.802 1.00 0.00 N ATOM 16 C2 DG A 1 2.447 -11.584 2.681 1.00 0.00 C ATOM 17 N2 DG A 1 3.691 -11.711 2.234 1.00 0.00 N ATOM 18 N3 DG A 1 2.277 -11.244 3.964 1.00 0.00 N ATOM 19 C4 DG A 1 0.968 -11.130 4.318 1.00 0.00 C ATOM 0 H5' DG A 1 -0.218 -12.455 10.028 1.00 0.00 H new ATOM 0 H5'' DG A 1 -0.123 -10.895 10.820 1.00 0.00 H new ATOM 0 H4' DG A 1 1.944 -11.504 9.583 1.00 0.00 H new ATOM 0 H3' DG A 1 0.842 -8.906 9.650 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.168 -9.049 7.452 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.415 -8.396 7.077 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.143 -11.056 8.174 1.00 0.00 H new ATOM 0 H1' DG A 1 2.309 -10.532 6.471 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.562 -10.542 6.221 1.00 0.00 H new ATOM 0 H1 DG A 1 1.641 -12.043 0.841 1.00 0.00 H new ATOM 0 H21 DG A 1 4.478 -11.563 2.866 1.00 0.00 H new ATOM 0 H22 DG A 1 3.860 -11.956 1.258 1.00 0.00 H new ATOM 32 P DC A 2 3.414 -7.859 9.106 1.00 0.00 P ATOM 33 OP1 DC A 2 4.363 -7.768 10.236 1.00 0.00 O ATOM 34 OP2 DC A 2 2.346 -6.847 8.957 1.00 0.00 O ATOM 35 O5' DC A 2 4.251 -7.916 7.732 1.00 0.00 O ATOM 36 C5' DC A 2 5.321 -8.829 7.588 1.00 0.00 C ATOM 37 C4' DC A 2 5.995 -8.676 6.223 1.00 0.00 C ATOM 38 O4' DC A 2 5.107 -9.037 5.186 1.00 0.00 O ATOM 39 C3' DC A 2 6.463 -7.242 5.958 1.00 0.00 C ATOM 40 O3' DC A 2 7.812 -7.360 5.552 1.00 0.00 O ATOM 41 C2' DC A 2 5.484 -6.737 4.884 1.00 0.00 C ATOM 42 C1' DC A 2 5.087 -8.033 4.187 1.00 0.00 C ATOM 43 N1 DC A 2 3.706 -8.008 3.639 1.00 0.00 N ATOM 44 C2 DC A 2 3.492 -8.377 2.316 1.00 0.00 C ATOM 45 O2 DC A 2 4.434 -8.572 1.553 1.00 0.00 O ATOM 46 N3 DC A 2 2.218 -8.526 1.855 1.00 0.00 N ATOM 47 C4 DC A 2 1.183 -8.275 2.666 1.00 0.00 C ATOM 48 N4 DC A 2 -0.039 -8.537 2.222 1.00 0.00 N ATOM 49 C5 DC A 2 1.365 -7.911 4.035 1.00 0.00 C ATOM 50 C6 DC A 2 2.638 -7.802 4.474 1.00 0.00 C ATOM 0 H5' DC A 2 4.952 -9.848 7.703 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.053 -8.664 8.379 1.00 0.00 H new ATOM 0 H4' DC A 2 6.863 -9.336 6.240 1.00 0.00 H new ATOM 0 H3' DC A 2 6.450 -6.535 6.788 1.00 0.00 H new ATOM 0 H2' DC A 2 4.625 -6.228 5.321 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.957 -6.033 4.199 1.00 0.00 H new ATOM 0 H1' DC A 2 5.773 -8.199 3.356 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.847 -8.356 2.817 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.170 -8.919 1.285 1.00 0.00 H new ATOM 0 H5 DC A 2 0.524 -7.731 4.689 1.00 0.00 H new ATOM 0 H6 DC A 2 2.819 -7.546 5.508 1.00 0.00 H new ATOM 62 P DG A 3 8.777 -6.094 5.379 1.00 0.00 P ATOM 63 OP1 DG A 3 10.168 -6.581 5.268 1.00 0.00 O ATOM 64 OP2 DG A 3 8.421 -5.088 6.402 1.00 0.00 O ATOM 65 O5' DG A 3 8.291 -5.568 3.951 1.00 0.00 O ATOM 66 C5' DG A 3 8.515 -6.319 2.778 1.00 0.00 C ATOM 67 C4' DG A 3 7.857 -5.610 1.595 1.00 0.00 C ATOM 68 O4' DG A 3 6.504 -5.921 1.396 1.00 0.00 O ATOM 69 C3' DG A 3 7.925 -4.089 1.710 1.00 0.00 C ATOM 70 O3' DG A 3 8.294 -3.594 0.460 1.00 0.00 O ATOM 71 C2' DG A 3 6.487 -3.765 2.045 1.00 0.00 C ATOM 72 C1' DG A 3 5.846 -4.718 1.049 1.00 0.00 C ATOM 73 N9 DG A 3 4.430 -4.984 1.172 1.00 0.00 N ATOM 74 C8 DG A 3 3.714 -4.849 2.290 1.00 0.00 C ATOM 75 N7 DG A 3 2.478 -5.243 2.208 1.00 0.00 N ATOM 76 C5 DG A 3 2.373 -5.628 0.867 1.00 0.00 C ATOM 77 C6 DG A 3 1.249 -6.045 0.099 1.00 0.00 C ATOM 78 O6 DG A 3 0.118 -6.314 0.489 1.00 0.00 O ATOM 79 N1 DG A 3 1.535 -6.139 -1.253 1.00 0.00 N ATOM 80 C2 DG A 3 2.789 -6.001 -1.795 1.00 0.00 C ATOM 81 N2 DG A 3 2.941 -6.189 -3.100 1.00 0.00 N ATOM 82 N3 DG A 3 3.871 -5.703 -1.076 1.00 0.00 N ATOM 83 C4 DG A 3 3.581 -5.491 0.231 1.00 0.00 C ATOM 0 H5' DG A 3 8.104 -7.322 2.890 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.585 -6.430 2.602 1.00 0.00 H new ATOM 0 H4' DG A 3 8.440 -5.980 0.752 1.00 0.00 H new ATOM 0 H3' DG A 3 8.630 -3.678 2.433 1.00 0.00 H new ATOM 0 H2' DG A 3 6.227 -3.986 3.080 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.229 -2.721 1.868 1.00 0.00 H new ATOM 0 H1' DG A 3 5.940 -4.303 0.046 1.00 0.00 H new ATOM 0 H8 DG A 3 4.132 -4.441 3.199 1.00 0.00 H new ATOM 0 H1 DG A 3 0.760 -6.324 -1.890 1.00 0.00 H new ATOM 0 H21 DG A 3 3.863 -6.092 -3.525 1.00 0.00 H new ATOM 0 H22 DG A 3 2.136 -6.431 -3.678 1.00 0.00 H new ATOM 95 P DT A 4 9.796 -3.634 -0.081 1.00 0.00 P ATOM 96 OP1 DT A 4 9.925 -4.773 -1.013 1.00 0.00 O ATOM 97 OP2 DT A 4 10.709 -3.497 1.074 1.00 0.00 O ATOM 98 O5' DT A 4 9.743 -2.257 -0.885 1.00 0.00 O ATOM 99 C5' DT A 4 8.597 -1.906 -1.634 1.00 0.00 C ATOM 100 C4' DT A 4 7.451 -1.263 -0.811 1.00 0.00 C ATOM 101 O4' DT A 4 6.312 -2.120 -0.683 1.00 0.00 O ATOM 102 C3' DT A 4 7.706 -0.807 0.656 1.00 0.00 C ATOM 103 O3' DT A 4 8.995 -0.198 0.859 1.00 0.00 O ATOM 104 C2' DT A 4 6.213 -0.429 0.730 1.00 0.00 C ATOM 105 C1' DT A 4 5.315 -1.303 -0.106 1.00 0.00 C ATOM 106 N1 DT A 4 4.121 -1.839 0.680 1.00 0.00 N ATOM 107 C2 DT A 4 3.070 -2.406 -0.032 1.00 0.00 C ATOM 108 O2 DT A 4 3.170 -2.690 -1.220 1.00 0.00 O ATOM 109 N3 DT A 4 1.885 -2.653 0.632 1.00 0.00 N ATOM 110 C4 DT A 4 1.539 -2.340 1.925 1.00 0.00 C ATOM 111 O4 DT A 4 0.495 -2.770 2.409 1.00 0.00 O ATOM 112 C5 DT A 4 2.474 -1.451 2.739 1.00 0.00 C ATOM 113 C7 DT A 4 2.733 -1.962 4.159 1.00 0.00 C ATOM 114 C6 DT A 4 3.781 -1.164 1.999 1.00 0.00 C ATOM 0 H5' DT A 4 8.214 -2.800 -2.126 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.893 -1.212 -2.421 1.00 0.00 H new ATOM 0 H4' DT A 4 7.319 -0.374 -1.428 1.00 0.00 H new ATOM 0 H3' DT A 4 8.001 -1.275 1.595 1.00 0.00 H new ATOM 0 H2' DT A 4 5.887 -0.480 1.769 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.095 0.606 0.410 1.00 0.00 H new ATOM 0 H1' DT A 4 4.693 -0.885 -0.897 1.00 0.00 H new ATOM 0 H3 DT A 4 1.168 -3.134 0.089 1.00 0.00 H new ATOM 0 H71 DT A 4 3.728 -1.654 4.481 1.00 0.00 H new ATOM 0 H72 DT A 4 1.987 -1.546 4.837 1.00 0.00 H new ATOM 0 H73 DT A 4 2.668 -3.050 4.172 1.00 0.00 H new ATOM 0 H6 DT A 4 4.482 -0.462 2.425 1.00 0.00 H new ATOM 127 P DA A 5 9.797 0.910 -0.046 1.00 0.00 P ATOM 128 OP1 DA A 5 11.038 0.268 -0.527 1.00 0.00 O ATOM 129 OP2 DA A 5 9.887 2.145 0.761 1.00 0.00 O ATOM 130 O5' DA A 5 8.897 1.248 -1.331 1.00 0.00 O ATOM 131 C5' DA A 5 7.767 2.064 -1.176 1.00 0.00 C ATOM 132 C4' DA A 5 6.742 1.827 -2.298 1.00 0.00 C ATOM 133 O4' DA A 5 5.438 1.559 -1.794 1.00 0.00 O ATOM 134 C3' DA A 5 6.685 3.006 -3.235 1.00 0.00 C ATOM 135 O3' DA A 5 6.505 2.657 -4.598 1.00 0.00 O ATOM 136 C2' DA A 5 5.494 3.669 -2.645 1.00 0.00 C ATOM 137 C1' DA A 5 4.573 2.634 -2.090 1.00 0.00 C ATOM 138 N9 DA A 5 3.973 3.166 -0.842 1.00 0.00 N ATOM 139 C8 DA A 5 4.620 3.748 0.215 1.00 0.00 C ATOM 140 N7 DA A 5 3.859 4.161 1.183 1.00 0.00 N ATOM 141 C5 DA A 5 2.593 3.851 0.709 1.00 0.00 C ATOM 142 C6 DA A 5 1.306 4.052 1.227 1.00 0.00 C ATOM 143 N6 DA A 5 1.098 4.462 2.471 1.00 0.00 N ATOM 144 N1 DA A 5 0.261 3.880 0.411 1.00 0.00 N ATOM 145 C2 DA A 5 0.494 3.438 -0.814 1.00 0.00 C ATOM 146 N3 DA A 5 1.630 3.130 -1.406 1.00 0.00 N ATOM 147 C4 DA A 5 2.655 3.357 -0.567 1.00 0.00 C ATOM 0 H5' DA A 5 8.070 3.111 -1.174 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.303 1.865 -0.210 1.00 0.00 H new ATOM 0 H4' DA A 5 7.081 0.945 -2.842 1.00 0.00 H new ATOM 0 H3' DA A 5 7.596 3.601 -3.294 1.00 0.00 H new ATOM 0 H2' DA A 5 5.801 4.358 -1.858 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.980 4.260 -3.403 1.00 0.00 H new ATOM 0 H1' DA A 5 3.761 2.348 -2.758 1.00 0.00 H new ATOM 0 H8 DA A 5 5.694 3.857 0.242 1.00 0.00 H new ATOM 0 H61 DA A 5 0.146 4.597 2.811 1.00 0.00 H new ATOM 0 H62 DA A 5 1.890 4.643 3.088 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.387 3.309 -1.426 1.00 0.00 H new ATOM 159 P DC A 6 6.526 3.771 -5.774 1.00 0.00 P ATOM 160 OP1 DC A 6 6.466 3.061 -7.069 1.00 0.00 O ATOM 161 OP2 DC A 6 7.653 4.687 -5.494 1.00 0.00 O ATOM 162 O5' DC A 6 5.150 4.602 -5.585 1.00 0.00 O ATOM 163 C5' DC A 6 3.900 4.046 -5.945 1.00 0.00 C ATOM 164 C4' DC A 6 2.720 4.895 -5.446 1.00 0.00 C ATOM 165 O4' DC A 6 2.564 4.839 -4.032 1.00 0.00 O ATOM 166 C3' DC A 6 2.789 6.394 -5.808 1.00 0.00 C ATOM 167 O3' DC A 6 1.724 6.685 -6.703 1.00 0.00 O ATOM 168 C2' DC A 6 2.617 7.044 -4.432 1.00 0.00 C ATOM 169 C1' DC A 6 1.812 5.991 -3.696 1.00 0.00 C ATOM 170 N1 DC A 6 1.750 6.317 -2.248 1.00 0.00 N ATOM 171 C2 DC A 6 0.521 6.664 -1.677 1.00 0.00 C ATOM 172 O2 DC A 6 -0.526 6.648 -2.321 1.00 0.00 O ATOM 173 N3 DC A 6 0.471 7.033 -0.367 1.00 0.00 N ATOM 174 C4 DC A 6 1.597 7.118 0.344 1.00 0.00 C ATOM 175 N4 DC A 6 1.520 7.406 1.634 1.00 0.00 N ATOM 176 C5 DC A 6 2.856 6.741 -0.206 1.00 0.00 C ATOM 177 C6 DC A 6 2.892 6.344 -1.491 1.00 0.00 C ATOM 0 H5' DC A 6 3.820 3.040 -5.534 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.845 3.953 -7.030 1.00 0.00 H new ATOM 0 H4' DC A 6 1.877 4.440 -5.966 1.00 0.00 H new ATOM 0 H3' DC A 6 3.694 6.735 -6.311 1.00 0.00 H new ATOM 0 H2' DC A 6 3.574 7.240 -3.949 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.089 7.996 -4.492 1.00 0.00 H new ATOM 0 H1' DC A 6 0.759 5.887 -3.956 1.00 0.00 H new ATOM 0 H41 DC A 6 2.371 7.475 2.193 1.00 0.00 H new ATOM 0 H42 DC A 6 0.610 7.559 2.069 1.00 0.00 H new ATOM 0 H5 DC A 6 3.755 6.773 0.391 1.00 0.00 H new ATOM 0 H6 DC A 6 3.831 6.043 -1.931 1.00 0.00 H new ATOM 189 P DG A 7 1.348 8.184 -7.187 1.00 0.00 P ATOM 190 OP1 DG A 7 1.014 8.120 -8.626 1.00 0.00 O ATOM 191 OP2 DG A 7 2.406 9.108 -6.725 1.00 0.00 O ATOM 192 O5' DG A 7 -0.007 8.502 -6.359 1.00 0.00 O ATOM 193 C5' DG A 7 -1.191 7.780 -6.641 1.00 0.00 C ATOM 194 C4' DG A 7 -2.437 8.269 -5.891 1.00 0.00 C ATOM 195 O4' DG A 7 -2.197 8.238 -4.495 1.00 0.00 O ATOM 196 C3' DG A 7 -2.856 9.701 -6.250 1.00 0.00 C ATOM 197 O3' DG A 7 -4.273 9.777 -6.212 1.00 0.00 O ATOM 198 C2' DG A 7 -2.171 10.477 -5.143 1.00 0.00 C ATOM 199 C1' DG A 7 -2.390 9.535 -3.960 1.00 0.00 C ATOM 200 N9 DG A 7 -1.431 9.758 -2.864 1.00 0.00 N ATOM 201 C8 DG A 7 -0.072 9.882 -2.952 1.00 0.00 C ATOM 202 N7 DG A 7 0.527 10.017 -1.802 1.00 0.00 N ATOM 203 C5 DG A 7 -0.514 9.938 -0.876 1.00 0.00 C ATOM 204 C6 DG A 7 -0.500 9.971 0.552 1.00 0.00 C ATOM 205 O6 DG A 7 0.447 10.191 1.300 1.00 0.00 O ATOM 206 N1 DG A 7 -1.744 9.714 1.111 1.00 0.00 N ATOM 207 C2 DG A 7 -2.897 9.572 0.386 1.00 0.00 C ATOM 208 N2 DG A 7 -4.034 9.377 1.044 1.00 0.00 N ATOM 209 N3 DG A 7 -2.940 9.614 -0.949 1.00 0.00 N ATOM 210 C4 DG A 7 -1.713 9.758 -1.519 1.00 0.00 C ATOM 0 H5' DG A 7 -1.026 6.730 -6.398 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.385 7.832 -7.712 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.241 7.596 -6.189 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.583 10.068 -7.239 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.114 10.645 -5.348 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.624 11.455 -4.982 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.378 9.692 -3.527 1.00 0.00 H new ATOM 0 H8 DG A 7 0.459 9.869 -3.892 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.803 9.625 2.125 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.908 9.268 0.530 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.033 9.336 2.063 1.00 0.00 H new ATOM 222 P DC A 8 -5.089 11.108 -6.628 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.226 10.699 -7.481 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.120 12.107 -7.128 1.00 0.00 O ATOM 225 O5' DC A 8 -5.668 11.634 -5.220 1.00 0.00 O ATOM 226 C5' DC A 8 -6.830 11.060 -4.652 1.00 0.00 C ATOM 227 C4' DC A 8 -7.023 11.565 -3.220 1.00 0.00 C ATOM 228 O4' DC A 8 -5.906 11.213 -2.432 1.00 0.00 O ATOM 229 C3' DC A 8 -7.117 13.084 -3.088 1.00 0.00 C ATOM 230 O3' DC A 8 -8.409 13.578 -3.373 1.00 0.00 O ATOM 231 C2' DC A 8 -6.759 13.271 -1.618 1.00 0.00 C ATOM 232 C1' DC A 8 -5.878 12.058 -1.291 1.00 0.00 C ATOM 233 N1 DC A 8 -4.477 12.461 -0.993 1.00 0.00 N ATOM 234 C2 DC A 8 -4.092 12.609 0.336 1.00 0.00 C ATOM 235 O2 DC A 8 -4.910 12.516 1.248 1.00 0.00 O ATOM 236 N3 DC A 8 -2.786 12.861 0.631 1.00 0.00 N ATOM 237 C4 DC A 8 -1.894 13.013 -0.354 1.00 0.00 C ATOM 238 N4 DC A 8 -0.619 13.176 -0.026 1.00 0.00 N ATOM 239 C5 DC A 8 -2.267 12.921 -1.733 1.00 0.00 C ATOM 240 C6 DC A 8 -3.563 12.639 -1.999 1.00 0.00 C ATOM 0 H5' DC A 8 -6.746 9.973 -4.654 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.702 11.313 -5.255 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.961 11.110 -2.901 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.478 13.623 -3.787 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.226 14.207 -1.453 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.650 13.297 -0.991 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.416 14.553 -3.273 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.256 11.551 -0.403 1.00 0.00 H new ATOM 0 H41 DC A 8 0.084 13.294 -0.755 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.342 13.183 0.956 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.547 13.070 -2.524 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.885 12.552 -3.026 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.003 13.585 9.865 1.00 0.00 O ATOM 255 C5' DG B 9 0.201 12.230 10.201 1.00 0.00 C ATOM 256 C4' DG B 9 -1.158 11.523 10.201 1.00 0.00 C ATOM 257 O4' DG B 9 -1.794 11.661 8.940 1.00 0.00 O ATOM 258 C3' DG B 9 -1.041 10.016 10.418 1.00 0.00 C ATOM 259 O3' DG B 9 -2.299 9.609 10.924 1.00 0.00 O ATOM 260 C2' DG B 9 -0.721 9.545 8.995 1.00 0.00 C ATOM 261 C1' DG B 9 -1.510 10.531 8.124 1.00 0.00 C ATOM 262 N9 DG B 9 -0.823 11.008 6.897 1.00 0.00 N ATOM 263 C8 DG B 9 0.513 11.229 6.660 1.00 0.00 C ATOM 264 N7 DG B 9 0.774 11.749 5.496 1.00 0.00 N ATOM 265 C5 DG B 9 -0.477 11.895 4.906 1.00 0.00 C ATOM 266 C6 DG B 9 -0.843 12.389 3.618 1.00 0.00 C ATOM 267 O6 DG B 9 -0.115 12.862 2.749 1.00 0.00 O ATOM 268 N1 DG B 9 -2.203 12.299 3.372 1.00 0.00 N ATOM 269 C2 DG B 9 -3.122 11.852 4.292 1.00 0.00 C ATOM 270 N2 DG B 9 -4.402 11.824 3.942 1.00 0.00 N ATOM 271 N3 DG B 9 -2.796 11.413 5.514 1.00 0.00 N ATOM 272 C4 DG B 9 -1.459 11.449 5.756 1.00 0.00 C ATOM 0 H5' DG B 9 0.670 12.148 11.181 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.874 11.757 9.485 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.718 11.988 11.012 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.299 9.631 11.118 1.00 0.00 H new ATOM 0 H2' DG B 9 0.348 9.587 8.786 1.00 0.00 H new ATOM 0 H2'' DG B 9 -1.038 8.515 8.829 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.752 13.661 9.245 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.390 9.996 7.767 1.00 0.00 H new ATOM 0 H8 DG B 9 1.282 10.991 7.380 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.543 12.581 2.453 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.105 11.497 4.605 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.683 12.130 3.010 1.00 0.00 H new ATOM 285 P DC B 10 -2.701 8.076 11.174 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.552 8.010 12.381 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.478 7.248 11.085 1.00 0.00 O ATOM 288 O5' DC B 10 -3.609 7.787 9.880 1.00 0.00 O ATOM 289 C5' DC B 10 -4.882 8.386 9.734 1.00 0.00 C ATOM 290 C4' DC B 10 -5.511 8.002 8.389 1.00 0.00 C ATOM 291 O4' DC B 10 -4.784 8.611 7.325 1.00 0.00 O ATOM 292 C3' DC B 10 -5.493 6.481 8.166 1.00 0.00 C ATOM 293 O3' DC B 10 -6.712 6.120 7.568 1.00 0.00 O ATOM 294 C2' DC B 10 -4.277 6.376 7.251 1.00 0.00 C ATOM 295 C1' DC B 10 -4.413 7.620 6.383 1.00 0.00 C ATOM 296 N1 DC B 10 -3.154 7.966 5.671 1.00 0.00 N ATOM 297 C2 DC B 10 -3.176 8.545 4.404 1.00 0.00 C ATOM 298 O2 DC B 10 -4.235 8.751 3.814 1.00 0.00 O ATOM 299 N3 DC B 10 -1.992 8.890 3.805 1.00 0.00 N ATOM 300 C4 DC B 10 -0.829 8.611 4.415 1.00 0.00 C ATOM 301 N4 DC B 10 0.306 9.028 3.868 1.00 0.00 N ATOM 302 C5 DC B 10 -0.787 7.958 5.682 1.00 0.00 C ATOM 303 C6 DC B 10 -1.963 7.662 6.246 1.00 0.00 C ATOM 0 H5' DC B 10 -4.789 9.470 9.801 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.533 8.071 10.549 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.545 8.348 8.405 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.412 5.827 9.034 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.344 6.374 7.814 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.293 5.462 6.657 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.134 7.497 5.575 1.00 0.00 H new ATOM 0 H41 DC B 10 1.196 8.823 4.321 1.00 0.00 H new ATOM 0 H42 DC B 10 0.288 9.554 2.994 1.00 0.00 H new ATOM 0 H5 DC B 10 0.149 7.714 6.163 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.965 7.159 7.202 1.00 0.00 H new ATOM 315 P DG B 11 -7.142 4.592 7.347 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.387 4.346 8.105 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.961 3.727 7.553 1.00 0.00 O ATOM 318 O5' DG B 11 -7.471 4.635 5.783 1.00 0.00 O ATOM 319 C5' DG B 11 -8.432 5.534 5.274 1.00 0.00 C ATOM 320 C4' DG B 11 -8.518 5.386 3.757 1.00 0.00 C ATOM 321 O4' DG B 11 -7.343 5.913 3.174 1.00 0.00 O ATOM 322 C3' DG B 11 -8.640 3.919 3.340 1.00 0.00 C ATOM 323 O3' DG B 11 -9.609 3.861 2.312 1.00 0.00 O ATOM 324 C2' DG B 11 -7.211 3.563 2.924 1.00 0.00 C ATOM 325 C1' DG B 11 -6.642 4.909 2.465 1.00 0.00 C ATOM 326 N9 DG B 11 -5.207 5.069 2.773 1.00 0.00 N ATOM 327 C8 DG B 11 -4.583 4.879 3.979 1.00 0.00 C ATOM 328 N7 DG B 11 -3.345 5.270 4.012 1.00 0.00 N ATOM 329 C5 DG B 11 -3.113 5.714 2.715 1.00 0.00 C ATOM 330 C6 DG B 11 -1.914 6.189 2.118 1.00 0.00 C ATOM 331 O6 DG B 11 -0.828 6.367 2.657 1.00 0.00 O ATOM 332 N1 DG B 11 -2.049 6.465 0.772 1.00 0.00 N ATOM 333 C2 DG B 11 -3.223 6.343 0.073 1.00 0.00 C ATOM 334 N2 DG B 11 -3.181 6.585 -1.232 1.00 0.00 N ATOM 335 N3 DG B 11 -4.364 5.898 0.620 1.00 0.00 N ATOM 336 C4 DG B 11 -4.240 5.593 1.943 1.00 0.00 C ATOM 0 H5' DG B 11 -8.162 6.557 5.535 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.405 5.336 5.725 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.404 5.923 3.418 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.980 3.208 4.093 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.641 3.145 3.754 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.196 2.824 2.123 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.755 4.974 1.383 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.080 4.440 4.831 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.222 6.780 0.264 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.029 6.507 -1.793 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.300 6.849 -1.674 1.00 0.00 H new ATOM 348 P DT B 12 -10.185 2.470 1.751 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.494 2.735 1.117 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.071 1.453 2.818 1.00 0.00 O ATOM 351 O5' DT B 12 -9.114 2.139 0.610 1.00 0.00 O ATOM 352 C5' DT B 12 -9.073 2.891 -0.584 1.00 0.00 C ATOM 353 C4' DT B 12 -7.840 2.494 -1.392 1.00 0.00 C ATOM 354 O4' DT B 12 -6.645 2.858 -0.738 1.00 0.00 O ATOM 355 C3' DT B 12 -7.730 0.984 -1.606 1.00 0.00 C ATOM 356 O3' DT B 12 -8.455 0.652 -2.774 1.00 0.00 O ATOM 357 C2' DT B 12 -6.212 0.772 -1.671 1.00 0.00 C ATOM 358 C1' DT B 12 -5.616 2.161 -1.408 1.00 0.00 C ATOM 359 N1 DT B 12 -4.382 2.196 -0.586 1.00 0.00 N ATOM 360 C2 DT B 12 -3.392 3.150 -0.772 1.00 0.00 C ATOM 361 O2 DT B 12 -3.319 3.832 -1.789 1.00 0.00 O ATOM 362 N3 DT B 12 -2.476 3.305 0.253 1.00 0.00 N ATOM 363 C4 DT B 12 -2.450 2.617 1.439 1.00 0.00 C ATOM 364 O4 DT B 12 -1.756 3.010 2.372 1.00 0.00 O ATOM 365 C5 DT B 12 -3.295 1.357 1.582 1.00 0.00 C ATOM 366 C7 DT B 12 -4.227 1.393 2.799 1.00 0.00 C ATOM 367 C6 DT B 12 -4.201 1.114 0.395 1.00 0.00 C ATOM 0 H5' DT B 12 -9.044 3.956 -0.355 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.976 2.715 -1.168 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.964 3.016 -2.341 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.156 0.337 -0.839 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.880 0.050 -0.925 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.907 0.387 -2.644 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.300 2.591 -2.358 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.745 4.002 0.112 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.122 0.807 2.590 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.713 0.974 3.664 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.510 2.424 3.010 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.704 0.167 0.270 1.00 0.00 H new ATOM 380 P DA B 13 -8.813 -0.868 -3.164 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.861 -0.834 -4.207 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.042 -1.627 -1.915 1.00 0.00 O ATOM 383 O5' DA B 13 -7.451 -1.388 -3.828 1.00 0.00 O ATOM 384 C5' DA B 13 -6.925 -0.763 -4.980 1.00 0.00 C ATOM 385 C4' DA B 13 -5.617 -1.454 -5.358 1.00 0.00 C ATOM 386 O4' DA B 13 -4.719 -1.433 -4.266 1.00 0.00 O ATOM 387 C3' DA B 13 -5.849 -2.914 -5.756 1.00 0.00 C ATOM 388 O3' DA B 13 -5.082 -3.207 -6.906 1.00 0.00 O ATOM 389 C2' DA B 13 -5.326 -3.625 -4.519 1.00 0.00 C ATOM 390 C1' DA B 13 -4.163 -2.720 -4.108 1.00 0.00 C ATOM 391 N9 DA B 13 -3.788 -2.936 -2.699 1.00 0.00 N ATOM 392 C8 DA B 13 -4.630 -2.878 -1.624 1.00 0.00 C ATOM 393 N7 DA B 13 -4.110 -3.316 -0.512 1.00 0.00 N ATOM 394 C5 DA B 13 -2.773 -3.505 -0.850 1.00 0.00 C ATOM 395 C6 DA B 13 -1.635 -3.783 -0.076 1.00 0.00 C ATOM 396 N6 DA B 13 -1.697 -4.093 1.215 1.00 0.00 N ATOM 397 N1 DA B 13 -0.428 -3.587 -0.615 1.00 0.00 N ATOM 398 C2 DA B 13 -0.336 -3.258 -1.893 1.00 0.00 C ATOM 399 N3 DA B 13 -1.324 -3.058 -2.765 1.00 0.00 N ATOM 400 C4 DA B 13 -2.541 -3.178 -2.163 1.00 0.00 C ATOM 0 H5' DA B 13 -6.751 0.296 -4.789 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.637 -0.826 -5.803 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.200 -0.911 -6.206 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.872 -3.188 -6.012 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.083 -3.698 -3.738 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.996 -4.640 -4.739 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.257 -2.895 -4.687 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.640 -2.501 -1.690 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.841 -4.287 1.735 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.601 -4.137 1.686 1.00 0.00 H new ATOM 0 H2 DA B 13 0.666 -3.136 -2.278 1.00 0.00 H new ATOM 412 P DC B 14 -5.386 -4.493 -7.829 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.757 -4.337 -8.358 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.044 -5.712 -7.065 1.00 0.00 O ATOM 415 O5' DC B 14 -4.352 -4.351 -9.059 1.00 0.00 O ATOM 416 C5' DC B 14 -3.089 -3.723 -8.930 1.00 0.00 C ATOM 417 C4' DC B 14 -2.056 -4.500 -8.102 1.00 0.00 C ATOM 418 O4' DC B 14 -2.353 -4.584 -6.717 1.00 0.00 O ATOM 419 C3' DC B 14 -1.817 -5.945 -8.582 1.00 0.00 C ATOM 420 O3' DC B 14 -0.542 -5.978 -9.202 1.00 0.00 O ATOM 421 C2' DC B 14 -1.875 -6.729 -7.265 1.00 0.00 C ATOM 422 C1' DC B 14 -1.532 -5.641 -6.254 1.00 0.00 C ATOM 423 N1 DC B 14 -1.768 -6.042 -4.837 1.00 0.00 N ATOM 424 C2 DC B 14 -0.676 -6.117 -3.974 1.00 0.00 C ATOM 425 O2 DC B 14 0.472 -5.944 -4.375 1.00 0.00 O ATOM 426 N3 DC B 14 -0.879 -6.389 -2.658 1.00 0.00 N ATOM 427 C4 DC B 14 -2.101 -6.680 -2.210 1.00 0.00 C ATOM 428 N4 DC B 14 -2.255 -6.895 -0.911 1.00 0.00 N ATOM 429 C5 DC B 14 -3.236 -6.672 -3.077 1.00 0.00 C ATOM 430 C6 DC B 14 -3.016 -6.355 -4.373 1.00 0.00 C ATOM 0 H5' DC B 14 -3.233 -2.743 -8.475 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.681 -3.555 -9.927 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.161 -3.897 -8.256 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.520 -6.346 -9.312 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.860 -7.160 -7.086 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.159 -7.550 -7.244 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.474 -5.381 -6.210 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.177 -7.120 -0.537 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.451 -6.836 -0.286 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.225 -6.908 -2.714 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.849 -6.349 -5.061 1.00 0.00 H new ATOM 442 P DG B 15 -0.064 -7.146 -10.216 1.00 0.00 P ATOM 443 OP1 DG B 15 0.876 -6.529 -11.176 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.265 -7.846 -10.718 1.00 0.00 O ATOM 445 O5' DG B 15 0.775 -8.180 -9.304 1.00 0.00 O ATOM 446 C5' DG B 15 1.626 -7.729 -8.269 1.00 0.00 C ATOM 447 C4' DG B 15 2.764 -8.718 -7.947 1.00 0.00 C ATOM 448 O4' DG B 15 2.954 -8.666 -6.543 1.00 0.00 O ATOM 449 C3' DG B 15 2.509 -10.198 -8.287 1.00 0.00 C ATOM 450 O3' DG B 15 3.726 -10.920 -8.233 1.00 0.00 O ATOM 451 C2' DG B 15 1.565 -10.452 -7.134 1.00 0.00 C ATOM 452 C1' DG B 15 2.346 -9.813 -5.984 1.00 0.00 C ATOM 453 N9 DG B 15 1.482 -9.518 -4.827 1.00 0.00 N ATOM 454 C8 DG B 15 0.122 -9.480 -4.808 1.00 0.00 C ATOM 455 N7 DG B 15 -0.408 -9.337 -3.629 1.00 0.00 N ATOM 456 C5 DG B 15 0.702 -9.270 -2.788 1.00 0.00 C ATOM 457 C6 DG B 15 0.783 -9.168 -1.367 1.00 0.00 C ATOM 458 O6 DG B 15 -0.138 -9.082 -0.559 1.00 0.00 O ATOM 459 N1 DG B 15 2.090 -9.174 -0.903 1.00 0.00 N ATOM 460 C2 DG B 15 3.195 -9.311 -1.709 1.00 0.00 C ATOM 461 N2 DG B 15 4.395 -9.351 -1.147 1.00 0.00 N ATOM 462 N3 DG B 15 3.130 -9.458 -3.034 1.00 0.00 N ATOM 463 C4 DG B 15 1.861 -9.402 -3.513 1.00 0.00 C ATOM 0 H5' DG B 15 1.035 -7.559 -7.369 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.057 -6.769 -8.553 1.00 0.00 H new ATOM 0 H4' DG B 15 3.609 -8.408 -8.562 1.00 0.00 H new ATOM 0 H3' DG B 15 2.124 -10.470 -9.270 1.00 0.00 H new ATOM 0 H2' DG B 15 0.592 -9.984 -7.284 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.385 -11.515 -6.972 1.00 0.00 H new ATOM 0 H1' DG B 15 3.100 -10.485 -5.574 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.473 -9.562 -5.705 1.00 0.00 H new ATOM 0 H1 DG B 15 2.241 -9.070 0.100 1.00 0.00 H new ATOM 0 H21 DG B 15 5.227 -9.452 -1.728 1.00 0.00 H new ATOM 0 H22 DG B 15 4.486 -9.281 -0.134 1.00 0.00 H new ATOM 475 P DC B 16 3.798 -12.523 -8.419 1.00 0.00 P ATOM 476 OP1 DC B 16 4.859 -12.822 -9.405 1.00 0.00 O ATOM 477 OP2 DC B 16 2.426 -13.030 -8.638 1.00 0.00 O ATOM 478 O5' DC B 16 4.292 -13.016 -6.966 1.00 0.00 O ATOM 479 C5' DC B 16 5.605 -12.729 -6.527 1.00 0.00 C ATOM 480 C4' DC B 16 5.782 -13.054 -5.044 1.00 0.00 C ATOM 481 O4' DC B 16 4.924 -12.225 -4.294 1.00 0.00 O ATOM 482 C3' DC B 16 5.415 -14.479 -4.639 1.00 0.00 C ATOM 483 O3' DC B 16 6.466 -15.395 -4.863 1.00 0.00 O ATOM 484 C2' DC B 16 5.148 -14.290 -3.151 1.00 0.00 C ATOM 485 C1' DC B 16 4.705 -12.824 -3.030 1.00 0.00 C ATOM 486 N1 DC B 16 3.267 -12.714 -2.669 1.00 0.00 N ATOM 487 C2 DC B 16 2.932 -12.580 -1.325 1.00 0.00 C ATOM 488 O2 DC B 16 3.793 -12.589 -0.449 1.00 0.00 O ATOM 489 N3 DC B 16 1.625 -12.436 -0.975 1.00 0.00 N ATOM 490 C4 DC B 16 0.672 -12.456 -1.911 1.00 0.00 C ATOM 491 N4 DC B 16 -0.579 -12.235 -1.531 1.00 0.00 N ATOM 492 C5 DC B 16 0.981 -12.611 -3.301 1.00 0.00 C ATOM 493 C6 DC B 16 2.288 -12.730 -3.631 1.00 0.00 C ATOM 0 H5' DC B 16 5.825 -11.675 -6.699 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.320 -13.304 -7.115 1.00 0.00 H new ATOM 0 H4' DC B 16 6.845 -12.908 -4.854 1.00 0.00 H new ATOM 0 H3' DC B 16 4.584 -14.899 -5.206 1.00 0.00 H new ATOM 0 H2' DC B 16 4.374 -14.970 -2.796 1.00 0.00 H new ATOM 0 H2'' DC B 16 6.041 -14.486 -2.558 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.183 -16.292 -4.587 1.00 0.00 H new ATOM 0 H1' DC B 16 5.272 -12.329 -2.242 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.331 -12.243 -2.221 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.790 -12.057 -0.549 1.00 0.00 H new ATOM 0 H5 DC B 16 0.205 -12.632 -4.052 1.00 0.00 H new ATOM 0 H6 DC B 16 2.566 -12.839 -4.669 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.391 0.181 -1.440 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.641 0.077 -1.373 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.408 -0.087 -0.071 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.596 0.036 1.182 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.366 0.291 2.028 1.00 0.00 C HETATM 512 C6 PSO B 1 1.022 0.439 1.828 1.00 0.00 C HETATM 513 C7 PSO B 1 1.529 0.473 0.578 1.00 0.00 C HETATM 514 C8 PSO B 1 0.685 0.233 -0.511 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.716 0.233 -0.360 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.231 0.202 0.929 1.00 0.00 C HETATM 517 C4' PSO B 1 2.124 0.056 2.764 1.00 0.00 C HETATM 518 C5' PSO B 1 3.304 0.291 1.834 1.00 0.00 C HETATM 519 O6' PSO B 1 2.788 0.494 0.511 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.273 0.110 -2.421 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.904 -1.023 2.252 1.00 0.00 C HETATM 522 C13 PSO B 1 2.128 0.797 4.111 1.00 0.00 C HETATM 523 O14 PSO B 1 1.775 2.161 4.052 1.00 0.00 O HETATM 524 C15 PSO B 1 4.127 1.434 2.408 1.00 0.00 C HETATM 525 C16 PSO B 1 1.281 -0.042 -1.861 1.00 0.00 C HETATM 0 H163 PSO B 1 1.885 0.810 -2.173 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.909 -0.931 -1.807 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.483 -0.205 -2.585 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.510 2.331 2.471 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.478 1.165 3.404 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.983 1.627 1.761 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.440 0.290 4.787 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.123 0.715 4.548 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.951 -0.949 2.546 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.710 -2.016 1.847 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.270 -0.856 3.122 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.767 0.246 3.040 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.804 2.546 4.953 1.00 0.00 H new