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 -38:sc= 0.0359 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.92! (180deg=-1.92!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.419 USER MOD Single : B 9 DG O5' : rot -31:sc= 0.0338 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.51 (180deg=-1.51) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.628 -12.706 9.349 1.00 0.00 O ATOM 2 C5' DG A 1 -0.373 -11.321 9.407 1.00 0.00 C ATOM 3 C4' DG A 1 1.071 -11.070 8.964 1.00 0.00 C ATOM 4 O4' DG A 1 1.241 -11.574 7.647 1.00 0.00 O ATOM 5 C3' DG A 1 1.398 -9.576 8.919 1.00 0.00 C ATOM 6 O3' DG A 1 2.786 -9.417 9.150 1.00 0.00 O ATOM 7 C2' DG A 1 0.982 -9.236 7.492 1.00 0.00 C ATOM 8 C1' DG A 1 1.386 -10.499 6.730 1.00 0.00 C ATOM 9 N9 DG A 1 0.546 -10.748 5.534 1.00 0.00 N ATOM 10 C8 DG A 1 -0.823 -10.788 5.448 1.00 0.00 C ATOM 11 N7 DG A 1 -1.280 -11.082 4.265 1.00 0.00 N ATOM 12 C5 DG A 1 -0.131 -11.278 3.506 1.00 0.00 C ATOM 13 C6 DG A 1 0.016 -11.624 2.129 1.00 0.00 C ATOM 14 O6 DG A 1 -0.864 -11.817 1.293 1.00 0.00 O ATOM 15 N1 DG A 1 1.342 -11.743 1.745 1.00 0.00 N ATOM 16 C2 DG A 1 2.410 -11.522 2.581 1.00 0.00 C ATOM 17 N2 DG A 1 3.635 -11.657 2.086 1.00 0.00 N ATOM 18 N3 DG A 1 2.287 -11.177 3.868 1.00 0.00 N ATOM 19 C4 DG A 1 0.992 -11.079 4.273 1.00 0.00 C ATOM 0 H5' DG A 1 -0.527 -10.950 10.420 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.066 -10.782 8.761 1.00 0.00 H new ATOM 0 H4' DG A 1 1.727 -11.562 9.682 1.00 0.00 H new ATOM 0 H3' DG A 1 0.908 -8.940 9.656 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.087 -9.038 7.415 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.497 -8.352 7.117 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.177 -13.089 8.568 1.00 0.00 H new ATOM 0 H1' DG A 1 2.406 -10.391 6.361 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.468 -10.592 6.292 1.00 0.00 H new ATOM 0 H1 DG A 1 1.538 -12.012 0.781 1.00 0.00 H new ATOM 0 H21 DG A 1 4.447 -11.499 2.683 1.00 0.00 H new ATOM 0 H22 DG A 1 3.764 -11.918 1.109 1.00 0.00 H new ATOM 32 P DC A 2 3.502 -7.973 9.207 1.00 0.00 P ATOM 33 OP1 DC A 2 4.455 -7.978 10.337 1.00 0.00 O ATOM 34 OP2 DC A 2 2.459 -6.928 9.129 1.00 0.00 O ATOM 35 O5' DC A 2 4.336 -7.953 7.829 1.00 0.00 O ATOM 36 C5' DC A 2 5.424 -8.835 7.642 1.00 0.00 C ATOM 37 C4' DC A 2 6.070 -8.622 6.271 1.00 0.00 C ATOM 38 O4' DC A 2 5.155 -8.944 5.245 1.00 0.00 O ATOM 39 C3' DC A 2 6.530 -7.176 6.051 1.00 0.00 C ATOM 40 O3' DC A 2 7.886 -7.268 5.660 1.00 0.00 O ATOM 41 C2' DC A 2 5.562 -6.645 4.979 1.00 0.00 C ATOM 42 C1' DC A 2 5.142 -7.925 4.263 1.00 0.00 C ATOM 43 N1 DC A 2 3.758 -7.891 3.717 1.00 0.00 N ATOM 44 C2 DC A 2 3.536 -8.320 2.412 1.00 0.00 C ATOM 45 O2 DC A 2 4.473 -8.567 1.659 1.00 0.00 O ATOM 46 N3 DC A 2 2.259 -8.470 1.958 1.00 0.00 N ATOM 47 C4 DC A 2 1.228 -8.180 2.761 1.00 0.00 C ATOM 48 N4 DC A 2 0.001 -8.422 2.319 1.00 0.00 N ATOM 49 C5 DC A 2 1.416 -7.780 4.119 1.00 0.00 C ATOM 50 C6 DC A 2 2.692 -7.657 4.547 1.00 0.00 C ATOM 0 H5' DC A 2 5.081 -9.866 7.731 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.165 -8.677 8.426 1.00 0.00 H new ATOM 0 H4' DC A 2 6.943 -9.275 6.242 1.00 0.00 H new ATOM 0 H3' DC A 2 6.499 -6.496 6.902 1.00 0.00 H new ATOM 0 H2' DC A 2 4.710 -6.127 5.420 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.048 -5.941 4.304 1.00 0.00 H new ATOM 0 H1' DC A 2 5.822 -8.074 3.424 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.804 -8.211 2.909 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.137 -8.819 1.390 1.00 0.00 H new ATOM 0 H5 DC A 2 0.579 -7.585 4.773 1.00 0.00 H new ATOM 0 H6 DC A 2 2.877 -7.366 5.571 1.00 0.00 H new ATOM 62 P DG A 3 8.836 -5.985 5.522 1.00 0.00 P ATOM 63 OP1 DG A 3 10.238 -6.449 5.450 1.00 0.00 O ATOM 64 OP2 DG A 3 8.435 -4.990 6.540 1.00 0.00 O ATOM 65 O5' DG A 3 8.385 -5.456 4.083 1.00 0.00 O ATOM 66 C5' DG A 3 8.653 -6.201 2.915 1.00 0.00 C ATOM 67 C4' DG A 3 7.995 -5.515 1.720 1.00 0.00 C ATOM 68 O4' DG A 3 6.655 -5.865 1.505 1.00 0.00 O ATOM 69 C3' DG A 3 8.021 -3.992 1.819 1.00 0.00 C ATOM 70 O3' DG A 3 8.402 -3.500 0.572 1.00 0.00 O ATOM 71 C2' DG A 3 6.571 -3.699 2.124 1.00 0.00 C ATOM 72 C1' DG A 3 5.970 -4.686 1.135 1.00 0.00 C ATOM 73 N9 DG A 3 4.562 -4.991 1.253 1.00 0.00 N ATOM 74 C8 DG A 3 3.823 -4.802 2.348 1.00 0.00 C ATOM 75 N7 DG A 3 2.581 -5.175 2.249 1.00 0.00 N ATOM 76 C5 DG A 3 2.504 -5.616 0.924 1.00 0.00 C ATOM 77 C6 DG A 3 1.388 -6.023 0.138 1.00 0.00 C ATOM 78 O6 DG A 3 0.232 -6.216 0.499 1.00 0.00 O ATOM 79 N1 DG A 3 1.719 -6.204 -1.194 1.00 0.00 N ATOM 80 C2 DG A 3 2.996 -6.153 -1.696 1.00 0.00 C ATOM 81 N2 DG A 3 3.188 -6.427 -2.980 1.00 0.00 N ATOM 82 N3 DG A 3 4.063 -5.844 -0.960 1.00 0.00 N ATOM 83 C4 DG A 3 3.735 -5.547 0.321 1.00 0.00 C ATOM 0 H5' DG A 3 8.272 -7.217 3.022 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.729 -6.279 2.758 1.00 0.00 H new ATOM 0 H4' DG A 3 8.603 -5.873 0.889 1.00 0.00 H new ATOM 0 H3' DG A 3 8.701 -3.556 2.551 1.00 0.00 H new ATOM 0 H2' DG A 3 6.299 -3.908 3.159 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.290 -2.665 1.923 1.00 0.00 H new ATOM 0 H1' DG A 3 6.066 -4.284 0.127 1.00 0.00 H new ATOM 0 H8 DG A 3 4.227 -4.370 3.252 1.00 0.00 H new ATOM 0 H1 DG A 3 0.960 -6.389 -1.850 1.00 0.00 H new ATOM 0 H21 DG A 3 4.129 -6.395 -3.373 1.00 0.00 H new ATOM 0 H22 DG A 3 2.395 -6.670 -3.574 1.00 0.00 H new ATOM 95 P DT A 4 9.914 -3.513 0.062 1.00 0.00 P ATOM 96 OP1 DT A 4 10.089 -4.660 -0.853 1.00 0.00 O ATOM 97 OP2 DT A 4 10.800 -3.339 1.232 1.00 0.00 O ATOM 98 O5' DT A 4 9.842 -2.149 -0.760 1.00 0.00 O ATOM 99 C5' DT A 4 8.707 -1.841 -1.543 1.00 0.00 C ATOM 100 C4' DT A 4 7.529 -1.208 -0.758 1.00 0.00 C ATOM 101 O4' DT A 4 6.414 -2.095 -0.632 1.00 0.00 O ATOM 102 C3' DT A 4 7.749 -0.702 0.699 1.00 0.00 C ATOM 103 O3' DT A 4 8.999 -0.012 0.889 1.00 0.00 O ATOM 104 C2' DT A 4 6.238 -0.381 0.741 1.00 0.00 C ATOM 105 C1' DT A 4 5.382 -1.291 -0.100 1.00 0.00 C ATOM 106 N1 DT A 4 4.183 -1.843 0.667 1.00 0.00 N ATOM 107 C2 DT A 4 3.185 -2.486 -0.058 1.00 0.00 C ATOM 108 O2 DT A 4 3.373 -2.872 -1.206 1.00 0.00 O ATOM 109 N3 DT A 4 1.955 -2.690 0.539 1.00 0.00 N ATOM 110 C4 DT A 4 1.551 -2.348 1.810 1.00 0.00 C ATOM 111 O4 DT A 4 0.481 -2.760 2.250 1.00 0.00 O ATOM 112 C5 DT A 4 2.452 -1.451 2.654 1.00 0.00 C ATOM 113 C7 DT A 4 2.663 -1.954 4.084 1.00 0.00 C ATOM 114 C6 DT A 4 3.778 -1.148 1.955 1.00 0.00 C ATOM 0 H5' DT A 4 8.356 -2.754 -2.024 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.006 -1.157 -2.337 1.00 0.00 H new ATOM 0 H4' DT A 4 7.379 -0.338 -1.397 1.00 0.00 H new ATOM 0 H3' DT A 4 8.056 -1.144 1.647 1.00 0.00 H new ATOM 0 H2' DT A 4 5.897 -0.435 1.775 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.088 0.646 0.409 1.00 0.00 H new ATOM 0 H1' DT A 4 4.771 -0.902 -0.914 1.00 0.00 H new ATOM 0 H3 DT A 4 1.254 -3.155 -0.038 1.00 0.00 H new ATOM 0 H71 DT A 4 3.644 -1.639 4.439 1.00 0.00 H new ATOM 0 H72 DT A 4 1.892 -1.539 4.733 1.00 0.00 H new ATOM 0 H73 DT A 4 2.604 -3.042 4.099 1.00 0.00 H new ATOM 0 H6 DT A 4 4.446 -0.419 2.390 1.00 0.00 H new ATOM 127 P DA A 5 9.781 1.057 -0.082 1.00 0.00 P ATOM 128 OP1 DA A 5 11.015 0.400 -0.561 1.00 0.00 O ATOM 129 OP2 DA A 5 9.883 2.326 0.668 1.00 0.00 O ATOM 130 O5' DA A 5 8.854 1.338 -1.362 1.00 0.00 O ATOM 131 C5' DA A 5 7.703 2.123 -1.209 1.00 0.00 C ATOM 132 C4' DA A 5 6.667 1.835 -2.312 1.00 0.00 C ATOM 133 O4' DA A 5 5.369 1.583 -1.787 1.00 0.00 O ATOM 134 C3' DA A 5 6.597 2.983 -3.285 1.00 0.00 C ATOM 135 O3' DA A 5 6.379 2.598 -4.631 1.00 0.00 O ATOM 136 C2' DA A 5 5.431 3.674 -2.680 1.00 0.00 C ATOM 137 C1' DA A 5 4.506 2.653 -2.108 1.00 0.00 C ATOM 138 N9 DA A 5 3.899 3.203 -0.876 1.00 0.00 N ATOM 139 C8 DA A 5 4.542 3.795 0.176 1.00 0.00 C ATOM 140 N7 DA A 5 3.780 4.203 1.145 1.00 0.00 N ATOM 141 C5 DA A 5 2.515 3.886 0.669 1.00 0.00 C ATOM 142 C6 DA A 5 1.228 4.085 1.186 1.00 0.00 C ATOM 143 N6 DA A 5 1.023 4.494 2.431 1.00 0.00 N ATOM 144 N1 DA A 5 0.184 3.916 0.367 1.00 0.00 N ATOM 145 C2 DA A 5 0.418 3.469 -0.856 1.00 0.00 C ATOM 146 N3 DA A 5 1.554 3.155 -1.443 1.00 0.00 N ATOM 147 C4 DA A 5 2.579 3.385 -0.604 1.00 0.00 C ATOM 0 H5' DA A 5 7.976 3.178 -1.233 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.258 1.931 -0.233 1.00 0.00 H new ATOM 0 H4' DA A 5 7.001 0.933 -2.825 1.00 0.00 H new ATOM 0 H3' DA A 5 7.512 3.565 -3.391 1.00 0.00 H new ATOM 0 H2' DA A 5 5.763 4.360 -1.901 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.915 4.271 -3.432 1.00 0.00 H new ATOM 0 H1' DA A 5 3.696 2.359 -2.775 1.00 0.00 H new ATOM 0 H8 DA A 5 5.615 3.915 0.199 1.00 0.00 H new ATOM 0 H61 DA A 5 0.072 4.628 2.774 1.00 0.00 H new ATOM 0 H62 DA A 5 1.817 4.674 3.046 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.462 3.342 -1.470 1.00 0.00 H new ATOM 159 P DC A 6 6.391 3.679 -5.838 1.00 0.00 P ATOM 160 OP1 DC A 6 6.288 2.936 -7.112 1.00 0.00 O ATOM 161 OP2 DC A 6 7.538 4.583 -5.609 1.00 0.00 O ATOM 162 O5' DC A 6 5.033 4.537 -5.640 1.00 0.00 O ATOM 163 C5' DC A 6 3.769 4.002 -5.981 1.00 0.00 C ATOM 164 C4' DC A 6 2.610 4.875 -5.476 1.00 0.00 C ATOM 165 O4' DC A 6 2.470 4.829 -4.060 1.00 0.00 O ATOM 166 C3' DC A 6 2.698 6.372 -5.846 1.00 0.00 C ATOM 167 O3' DC A 6 1.636 6.671 -6.741 1.00 0.00 O ATOM 168 C2' DC A 6 2.537 7.031 -4.473 1.00 0.00 C ATOM 169 C1' DC A 6 1.730 5.990 -3.726 1.00 0.00 C ATOM 170 N1 DC A 6 1.679 6.325 -2.280 1.00 0.00 N ATOM 171 C2 DC A 6 0.455 6.682 -1.703 1.00 0.00 C ATOM 172 O2 DC A 6 -0.598 6.661 -2.338 1.00 0.00 O ATOM 173 N3 DC A 6 0.416 7.064 -0.398 1.00 0.00 N ATOM 174 C4 DC A 6 1.547 7.154 0.304 1.00 0.00 C ATOM 175 N4 DC A 6 1.480 7.449 1.592 1.00 0.00 N ATOM 176 C5 DC A 6 2.801 6.768 -0.252 1.00 0.00 C ATOM 177 C6 DC A 6 2.827 6.355 -1.532 1.00 0.00 C ATOM 0 H5' DC A 6 3.676 3.000 -5.561 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.700 3.901 -7.064 1.00 0.00 H new ATOM 0 H4' DC A 6 1.755 4.433 -5.987 1.00 0.00 H new ATOM 0 H3' DC A 6 3.606 6.700 -6.351 1.00 0.00 H new ATOM 0 H2' DC A 6 3.498 7.224 -3.996 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.015 7.986 -4.536 1.00 0.00 H new ATOM 0 H1' DC A 6 0.674 5.893 -3.979 1.00 0.00 H new ATOM 0 H41 DC A 6 2.335 7.522 2.144 1.00 0.00 H new ATOM 0 H42 DC A 6 0.573 7.604 2.033 1.00 0.00 H new ATOM 0 H5 DC A 6 3.705 6.806 0.338 1.00 0.00 H new ATOM 0 H6 DC A 6 3.762 6.044 -1.975 1.00 0.00 H new ATOM 189 P DG A 7 1.267 8.173 -7.222 1.00 0.00 P ATOM 190 OP1 DG A 7 0.920 8.112 -8.658 1.00 0.00 O ATOM 191 OP2 DG A 7 2.335 9.088 -6.768 1.00 0.00 O ATOM 192 O5' DG A 7 -0.079 8.499 -6.381 1.00 0.00 O ATOM 193 C5' DG A 7 -1.270 7.785 -6.657 1.00 0.00 C ATOM 194 C4' DG A 7 -2.506 8.272 -5.888 1.00 0.00 C ATOM 195 O4' DG A 7 -2.245 8.240 -4.496 1.00 0.00 O ATOM 196 C3' DG A 7 -2.932 9.703 -6.241 1.00 0.00 C ATOM 197 O3' DG A 7 -4.349 9.774 -6.189 1.00 0.00 O ATOM 198 C2' DG A 7 -2.238 10.478 -5.139 1.00 0.00 C ATOM 199 C1' DG A 7 -2.443 9.534 -3.957 1.00 0.00 C ATOM 200 N9 DG A 7 -1.477 9.764 -2.868 1.00 0.00 N ATOM 201 C8 DG A 7 -0.119 9.893 -2.967 1.00 0.00 C ATOM 202 N7 DG A 7 0.487 10.043 -1.823 1.00 0.00 N ATOM 203 C5 DG A 7 -0.548 9.967 -0.889 1.00 0.00 C ATOM 204 C6 DG A 7 -0.524 10.011 0.539 1.00 0.00 C ATOM 205 O6 DG A 7 0.426 10.246 1.279 1.00 0.00 O ATOM 206 N1 DG A 7 -1.761 9.748 1.109 1.00 0.00 N ATOM 207 C2 DG A 7 -2.919 9.594 0.393 1.00 0.00 C ATOM 208 N2 DG A 7 -4.050 9.397 1.060 1.00 0.00 N ATOM 209 N3 DG A 7 -2.971 9.626 -0.942 1.00 0.00 N ATOM 210 C4 DG A 7 -1.750 9.773 -1.521 1.00 0.00 C ATOM 0 H5' DG A 7 -1.107 6.732 -6.426 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.476 7.849 -7.725 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.314 7.599 -6.174 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.670 10.073 -7.232 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.183 10.649 -5.354 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.691 11.455 -4.972 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.429 9.682 -3.516 1.00 0.00 H new ATOM 0 H8 DG A 7 0.405 9.872 -3.911 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.812 9.664 2.124 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.927 9.279 0.553 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.042 9.364 2.079 1.00 0.00 H new ATOM 222 P DC A 8 -5.173 11.105 -6.590 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.318 10.697 -7.431 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.211 12.108 -7.097 1.00 0.00 O ATOM 225 O5' DC A 8 -5.732 11.622 -5.171 1.00 0.00 O ATOM 226 C5' DC A 8 -6.888 11.047 -4.593 1.00 0.00 C ATOM 227 C4' DC A 8 -7.065 11.542 -3.156 1.00 0.00 C ATOM 228 O4' DC A 8 -5.939 11.197 -2.378 1.00 0.00 O ATOM 229 C3' DC A 8 -7.168 13.059 -3.022 1.00 0.00 C ATOM 230 O3' DC A 8 -8.464 13.533 -3.316 1.00 0.00 O ATOM 231 C2' DC A 8 -6.811 13.246 -1.553 1.00 0.00 C ATOM 232 C1' DC A 8 -5.908 12.044 -1.238 1.00 0.00 C ATOM 233 N1 DC A 8 -4.510 12.466 -0.955 1.00 0.00 N ATOM 234 C2 DC A 8 -4.119 12.631 0.370 1.00 0.00 C ATOM 235 O2 DC A 8 -4.931 12.545 1.288 1.00 0.00 O ATOM 236 N3 DC A 8 -2.812 12.893 0.654 1.00 0.00 N ATOM 237 C4 DC A 8 -1.926 13.039 -0.337 1.00 0.00 C ATOM 238 N4 DC A 8 -0.651 13.211 -0.018 1.00 0.00 N ATOM 239 C5 DC A 8 -2.307 12.929 -1.713 1.00 0.00 C ATOM 240 C6 DC A 8 -3.603 12.638 -1.968 1.00 0.00 C ATOM 0 H5' DC A 8 -6.806 9.960 -4.603 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.766 11.306 -5.185 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.993 11.075 -2.827 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.531 13.612 -3.712 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.293 14.190 -1.385 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.701 13.254 -0.923 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.486 14.508 -3.216 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.268 11.531 -0.346 1.00 0.00 H new ATOM 0 H41 DC A 8 0.048 13.325 -0.752 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.368 13.229 0.962 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.593 13.072 -2.510 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.930 12.539 -2.992 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.014 13.541 9.873 1.00 0.00 O ATOM 255 C5' DG B 9 0.235 12.186 10.192 1.00 0.00 C ATOM 256 C4' DG B 9 -1.114 11.459 10.198 1.00 0.00 C ATOM 257 O4' DG B 9 -1.767 11.604 8.946 1.00 0.00 O ATOM 258 C3' DG B 9 -0.973 9.952 10.393 1.00 0.00 C ATOM 259 O3' DG B 9 -2.218 9.521 10.910 1.00 0.00 O ATOM 260 C2' DG B 9 -0.665 9.503 8.960 1.00 0.00 C ATOM 261 C1' DG B 9 -1.473 10.492 8.111 1.00 0.00 C ATOM 262 N9 DG B 9 -0.801 10.999 6.887 1.00 0.00 N ATOM 263 C8 DG B 9 0.531 11.236 6.643 1.00 0.00 C ATOM 264 N7 DG B 9 0.779 11.777 5.485 1.00 0.00 N ATOM 265 C5 DG B 9 -0.478 11.919 4.907 1.00 0.00 C ATOM 266 C6 DG B 9 -0.857 12.424 3.627 1.00 0.00 C ATOM 267 O6 DG B 9 -0.140 12.915 2.759 1.00 0.00 O ATOM 268 N1 DG B 9 -2.218 12.323 3.390 1.00 0.00 N ATOM 269 C2 DG B 9 -3.126 11.857 4.311 1.00 0.00 C ATOM 270 N2 DG B 9 -4.408 11.820 3.969 1.00 0.00 N ATOM 271 N3 DG B 9 -2.788 11.407 5.525 1.00 0.00 N ATOM 272 C4 DG B 9 -1.449 11.453 5.759 1.00 0.00 C ATOM 0 H5' DG B 9 0.715 12.100 11.167 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.907 11.731 9.464 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.671 11.905 11.022 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.216 9.569 11.077 1.00 0.00 H new ATOM 0 H2' DG B 9 0.401 9.558 8.740 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.974 8.473 8.784 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.759 13.614 9.275 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.348 9.950 7.752 1.00 0.00 H new ATOM 0 H8 DG B 9 1.308 10.993 7.353 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.568 12.612 2.476 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.103 11.479 4.633 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.698 12.133 3.042 1.00 0.00 H new ATOM 285 P DC B 10 -2.597 7.979 11.143 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.429 7.883 12.362 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.366 7.168 11.023 1.00 0.00 O ATOM 288 O5' DC B 10 -3.520 7.699 9.858 1.00 0.00 O ATOM 289 C5' DC B 10 -4.801 8.289 9.739 1.00 0.00 C ATOM 290 C4' DC B 10 -5.449 7.912 8.401 1.00 0.00 C ATOM 291 O4' DC B 10 -4.748 8.539 7.330 1.00 0.00 O ATOM 292 C3' DC B 10 -5.419 6.394 8.162 1.00 0.00 C ATOM 293 O3' DC B 10 -6.645 6.029 7.583 1.00 0.00 O ATOM 294 C2' DC B 10 -4.218 6.309 7.225 1.00 0.00 C ATOM 295 C1' DC B 10 -4.377 7.563 6.373 1.00 0.00 C ATOM 296 N1 DC B 10 -3.129 7.934 5.655 1.00 0.00 N ATOM 297 C2 DC B 10 -3.169 8.541 4.401 1.00 0.00 C ATOM 298 O2 DC B 10 -4.236 8.749 3.827 1.00 0.00 O ATOM 299 N3 DC B 10 -1.995 8.912 3.798 1.00 0.00 N ATOM 300 C4 DC B 10 -0.823 8.634 4.391 1.00 0.00 C ATOM 301 N4 DC B 10 0.303 9.071 3.841 1.00 0.00 N ATOM 302 C5 DC B 10 -0.762 7.958 5.646 1.00 0.00 C ATOM 303 C6 DC B 10 -1.928 7.636 6.214 1.00 0.00 C ATOM 0 H5' DC B 10 -4.716 9.373 9.815 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.436 7.961 10.562 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.485 8.247 8.439 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.315 5.731 9.021 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.275 6.307 7.772 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.238 5.402 6.621 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.105 7.439 5.571 1.00 0.00 H new ATOM 0 H41 DC B 10 1.199 8.866 4.283 1.00 0.00 H new ATOM 0 H42 DC B 10 0.272 9.612 2.977 1.00 0.00 H new ATOM 0 H5 DC B 10 0.181 7.718 6.114 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.914 7.115 7.160 1.00 0.00 H new ATOM 315 P DG B 11 -7.068 4.500 7.356 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.295 4.236 8.137 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.876 3.642 7.526 1.00 0.00 O ATOM 318 O5' DG B 11 -7.430 4.561 5.800 1.00 0.00 O ATOM 319 C5' DG B 11 -8.401 5.468 5.322 1.00 0.00 C ATOM 320 C4' DG B 11 -8.518 5.338 3.806 1.00 0.00 C ATOM 321 O4' DG B 11 -7.356 5.874 3.203 1.00 0.00 O ATOM 322 C3' DG B 11 -8.646 3.876 3.376 1.00 0.00 C ATOM 323 O3' DG B 11 -9.636 3.831 2.368 1.00 0.00 O ATOM 324 C2' DG B 11 -7.223 3.526 2.929 1.00 0.00 C ATOM 325 C1' DG B 11 -6.664 4.877 2.474 1.00 0.00 C ATOM 326 N9 DG B 11 -5.224 5.042 2.760 1.00 0.00 N ATOM 327 C8 DG B 11 -4.581 4.842 3.955 1.00 0.00 C ATOM 328 N7 DG B 11 -3.349 5.253 3.978 1.00 0.00 N ATOM 329 C5 DG B 11 -3.141 5.719 2.685 1.00 0.00 C ATOM 330 C6 DG B 11 -1.957 6.221 2.081 1.00 0.00 C ATOM 331 O6 DG B 11 -0.872 6.418 2.613 1.00 0.00 O ATOM 332 N1 DG B 11 -2.108 6.499 0.737 1.00 0.00 N ATOM 333 C2 DG B 11 -3.287 6.368 0.050 1.00 0.00 C ATOM 334 N2 DG B 11 -3.258 6.612 -1.255 1.00 0.00 N ATOM 335 N3 DG B 11 -4.418 5.906 0.606 1.00 0.00 N ATOM 336 C4 DG B 11 -4.275 5.589 1.924 1.00 0.00 C ATOM 0 H5' DG B 11 -8.124 6.488 5.590 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.364 5.266 5.790 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.412 5.878 3.492 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.970 3.155 4.126 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.637 3.100 3.744 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.222 2.795 2.120 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.794 4.948 1.394 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.059 4.381 4.806 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.289 6.823 0.222 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.110 6.528 -1.809 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.383 6.884 -1.704 1.00 0.00 H new ATOM 348 P DT B 12 -10.223 2.448 1.800 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.543 2.722 1.192 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.092 1.417 2.851 1.00 0.00 O ATOM 351 O5' DT B 12 -9.170 2.136 0.638 1.00 0.00 O ATOM 352 C5' DT B 12 -9.141 2.915 -0.539 1.00 0.00 C ATOM 353 C4' DT B 12 -7.917 2.532 -1.368 1.00 0.00 C ATOM 354 O4' DT B 12 -6.715 2.886 -0.723 1.00 0.00 O ATOM 355 C3' DT B 12 -7.808 1.026 -1.603 1.00 0.00 C ATOM 356 O3' DT B 12 -8.570 0.706 -2.750 1.00 0.00 O ATOM 357 C2' DT B 12 -6.291 0.819 -1.712 1.00 0.00 C ATOM 358 C1' DT B 12 -5.694 2.204 -1.424 1.00 0.00 C ATOM 359 N1 DT B 12 -4.450 2.225 -0.618 1.00 0.00 N ATOM 360 C2 DT B 12 -3.463 3.183 -0.801 1.00 0.00 C ATOM 361 O2 DT B 12 -3.400 3.876 -1.811 1.00 0.00 O ATOM 362 N3 DT B 12 -2.539 3.326 0.218 1.00 0.00 N ATOM 363 C4 DT B 12 -2.499 2.618 1.392 1.00 0.00 C ATOM 364 O4 DT B 12 -1.802 2.999 2.328 1.00 0.00 O ATOM 365 C5 DT B 12 -3.333 1.349 1.518 1.00 0.00 C ATOM 366 C7 DT B 12 -4.257 1.352 2.740 1.00 0.00 C ATOM 367 C6 DT B 12 -4.249 1.123 0.335 1.00 0.00 C ATOM 0 H5' DT B 12 -9.106 3.975 -0.287 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.051 2.755 -1.117 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.053 3.068 -2.307 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.208 0.366 -0.833 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.939 0.078 -0.995 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.009 0.463 -2.703 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.392 2.654 -2.370 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.813 4.030 0.083 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.148 0.762 2.524 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.733 0.920 3.593 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.548 2.376 2.973 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.744 0.174 0.194 1.00 0.00 H new ATOM 380 P DA B 13 -8.912 -0.812 -3.159 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.985 -0.778 -4.175 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.095 -1.598 -1.920 1.00 0.00 O ATOM 383 O5' DA B 13 -7.555 -1.283 -3.864 1.00 0.00 O ATOM 384 C5' DA B 13 -7.066 -0.610 -5.006 1.00 0.00 C ATOM 385 C4' DA B 13 -5.754 -1.266 -5.418 1.00 0.00 C ATOM 386 O4' DA B 13 -4.833 -1.254 -4.345 1.00 0.00 O ATOM 387 C3' DA B 13 -5.985 -2.718 -5.842 1.00 0.00 C ATOM 388 O3' DA B 13 -5.553 -2.836 -7.182 1.00 0.00 O ATOM 389 C2' DA B 13 -5.164 -3.480 -4.802 1.00 0.00 C ATOM 390 C1' DA B 13 -4.125 -2.476 -4.303 1.00 0.00 C ATOM 391 N9 DA B 13 -3.747 -2.769 -2.900 1.00 0.00 N ATOM 392 C8 DA B 13 -4.595 -2.796 -1.823 1.00 0.00 C ATOM 393 N7 DA B 13 -4.063 -3.272 -0.732 1.00 0.00 N ATOM 394 C5 DA B 13 -2.722 -3.403 -1.072 1.00 0.00 C ATOM 395 C6 DA B 13 -1.581 -3.689 -0.303 1.00 0.00 C ATOM 396 N6 DA B 13 -1.652 -4.059 0.971 1.00 0.00 N ATOM 397 N1 DA B 13 -0.372 -3.451 -0.824 1.00 0.00 N ATOM 398 C2 DA B 13 -0.289 -3.056 -2.084 1.00 0.00 C ATOM 399 N3 DA B 13 -1.277 -2.839 -2.953 1.00 0.00 N ATOM 400 C4 DA B 13 -2.495 -3.012 -2.368 1.00 0.00 C ATOM 0 H5' DA B 13 -6.911 0.447 -4.788 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.790 -0.664 -5.819 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.352 -0.698 -6.257 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.008 -3.095 -5.851 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.793 -3.835 -3.986 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.687 -4.356 -5.241 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.206 -2.486 -4.889 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.617 -2.452 -1.874 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.798 -4.257 1.493 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.560 -4.145 1.427 1.00 0.00 H new ATOM 0 H2 DA B 13 0.710 -2.887 -2.458 1.00 0.00 H new ATOM 412 P DC B 14 -5.658 -4.203 -8.026 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.037 -3.860 -9.413 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.465 -5.173 -7.254 1.00 0.00 O ATOM 415 O5' DC B 14 -4.128 -4.679 -8.006 1.00 0.00 O ATOM 416 C5' DC B 14 -3.118 -3.861 -8.562 1.00 0.00 C ATOM 417 C4' DC B 14 -1.760 -4.342 -8.061 1.00 0.00 C ATOM 418 O4' DC B 14 -1.786 -4.397 -6.640 1.00 0.00 O ATOM 419 C3' DC B 14 -1.413 -5.748 -8.576 1.00 0.00 C ATOM 420 O3' DC B 14 -0.069 -5.715 -9.030 1.00 0.00 O ATOM 421 C2' DC B 14 -1.597 -6.573 -7.304 1.00 0.00 C ATOM 422 C1' DC B 14 -1.113 -5.578 -6.257 1.00 0.00 C ATOM 423 N1 DC B 14 -1.432 -5.983 -4.860 1.00 0.00 N ATOM 424 C2 DC B 14 -0.388 -6.111 -3.952 1.00 0.00 C ATOM 425 O2 DC B 14 0.784 -6.013 -4.306 1.00 0.00 O ATOM 426 N3 DC B 14 -0.666 -6.351 -2.644 1.00 0.00 N ATOM 427 C4 DC B 14 -1.920 -6.560 -2.245 1.00 0.00 C ATOM 428 N4 DC B 14 -2.135 -6.755 -0.952 1.00 0.00 N ATOM 429 C5 DC B 14 -3.018 -6.479 -3.158 1.00 0.00 C ATOM 430 C6 DC B 14 -2.722 -6.193 -4.447 1.00 0.00 C ATOM 0 H5' DC B 14 -3.277 -2.821 -8.279 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.155 -3.904 -9.651 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.010 -3.642 -8.429 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.002 -6.138 -9.407 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.635 -6.868 -7.147 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.004 -7.487 -7.313 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.027 -5.482 -6.235 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.083 -6.918 -0.611 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.353 -6.742 -0.297 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.036 -6.639 -2.834 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.523 -6.129 -5.169 1.00 0.00 H new ATOM 442 P DG B 15 0.549 -6.774 -10.086 1.00 0.00 P ATOM 443 OP1 DG B 15 1.685 -6.109 -10.758 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.560 -7.320 -10.898 1.00 0.00 O ATOM 445 O5' DG B 15 1.144 -7.970 -9.183 1.00 0.00 O ATOM 446 C5' DG B 15 1.902 -7.704 -8.019 1.00 0.00 C ATOM 447 C4' DG B 15 2.935 -8.807 -7.727 1.00 0.00 C ATOM 448 O4' DG B 15 3.095 -8.839 -6.320 1.00 0.00 O ATOM 449 C3' DG B 15 2.554 -10.236 -8.154 1.00 0.00 C ATOM 450 O3' DG B 15 3.696 -11.073 -8.127 1.00 0.00 O ATOM 451 C2' DG B 15 1.572 -10.467 -7.030 1.00 0.00 C ATOM 452 C1' DG B 15 2.378 -9.954 -5.833 1.00 0.00 C ATOM 453 N9 DG B 15 1.516 -9.634 -4.682 1.00 0.00 N ATOM 454 C8 DG B 15 0.162 -9.493 -4.685 1.00 0.00 C ATOM 455 N7 DG B 15 -0.374 -9.311 -3.515 1.00 0.00 N ATOM 456 C5 DG B 15 0.723 -9.322 -2.656 1.00 0.00 C ATOM 457 C6 DG B 15 0.789 -9.198 -1.236 1.00 0.00 C ATOM 458 O6 DG B 15 -0.136 -9.040 -0.445 1.00 0.00 O ATOM 459 N1 DG B 15 2.086 -9.275 -0.752 1.00 0.00 N ATOM 460 C2 DG B 15 3.189 -9.516 -1.533 1.00 0.00 C ATOM 461 N2 DG B 15 4.374 -9.619 -0.946 1.00 0.00 N ATOM 462 N3 DG B 15 3.136 -9.689 -2.857 1.00 0.00 N ATOM 463 C4 DG B 15 1.882 -9.547 -3.360 1.00 0.00 C ATOM 0 H5' DG B 15 1.230 -7.604 -7.166 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.416 -6.750 -8.134 1.00 0.00 H new ATOM 0 H4' DG B 15 3.822 -8.549 -8.306 1.00 0.00 H new ATOM 0 H3' DG B 15 2.165 -10.414 -9.157 1.00 0.00 H new ATOM 0 H2' DG B 15 0.644 -9.912 -7.171 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.302 -11.518 -6.927 1.00 0.00 H new ATOM 0 H1' DG B 15 3.059 -10.711 -5.444 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.423 -9.530 -5.592 1.00 0.00 H new ATOM 0 H1 DG B 15 2.230 -9.144 0.249 1.00 0.00 H new ATOM 0 H21 DG B 15 5.207 -9.798 -1.507 1.00 0.00 H new ATOM 0 H22 DG B 15 4.452 -9.519 0.066 1.00 0.00 H new ATOM 475 P DC B 16 3.620 -12.660 -8.420 1.00 0.00 P ATOM 476 OP1 DC B 16 4.651 -12.989 -9.427 1.00 0.00 O ATOM 477 OP2 DC B 16 2.208 -13.022 -8.669 1.00 0.00 O ATOM 478 O5' DC B 16 4.060 -13.285 -7.002 1.00 0.00 O ATOM 479 C5' DC B 16 5.389 -13.132 -6.545 1.00 0.00 C ATOM 480 C4' DC B 16 5.525 -13.505 -5.072 1.00 0.00 C ATOM 481 O4' DC B 16 4.735 -12.619 -4.313 1.00 0.00 O ATOM 482 C3' DC B 16 5.034 -14.901 -4.702 1.00 0.00 C ATOM 483 O3' DC B 16 6.014 -15.888 -4.942 1.00 0.00 O ATOM 484 C2' DC B 16 4.754 -14.722 -3.214 1.00 0.00 C ATOM 485 C1' DC B 16 4.465 -13.220 -3.061 1.00 0.00 C ATOM 486 N1 DC B 16 3.048 -12.968 -2.694 1.00 0.00 N ATOM 487 C2 DC B 16 2.738 -12.774 -1.352 1.00 0.00 C ATOM 488 O2 DC B 16 3.603 -12.827 -0.482 1.00 0.00 O ATOM 489 N3 DC B 16 1.450 -12.521 -0.995 1.00 0.00 N ATOM 490 C4 DC B 16 0.488 -12.492 -1.920 1.00 0.00 C ATOM 491 N4 DC B 16 -0.738 -12.174 -1.527 1.00 0.00 N ATOM 492 C5 DC B 16 0.771 -12.688 -3.311 1.00 0.00 C ATOM 493 C6 DC B 16 2.064 -12.914 -3.649 1.00 0.00 C ATOM 0 H5' DC B 16 5.707 -12.100 -6.690 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.053 -13.757 -7.142 1.00 0.00 H new ATOM 0 H4' DC B 16 6.595 -13.459 -4.869 1.00 0.00 H new ATOM 0 H3' DC B 16 4.177 -15.244 -5.282 1.00 0.00 H new ATOM 0 H2' DC B 16 3.905 -15.325 -2.893 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.608 -15.027 -2.609 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.661 -16.767 -4.691 1.00 0.00 H new ATOM 0 H1' DC B 16 5.085 -12.807 -2.266 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.499 -12.142 -2.206 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.920 -11.962 -0.546 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.010 -12.657 -4.056 1.00 0.00 H new ATOM 0 H6 DC B 16 2.324 -13.054 -4.688 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.433 0.224 -1.537 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.685 0.145 -1.464 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.446 -0.059 -0.164 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.627 0.044 1.085 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.397 0.292 1.928 1.00 0.00 C HETATM 512 C6 PSO B 1 0.991 0.432 1.729 1.00 0.00 C HETATM 513 C7 PSO B 1 1.500 0.450 0.481 1.00 0.00 C HETATM 514 C8 PSO B 1 0.657 0.202 -0.606 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.748 0.243 -0.462 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.263 0.215 0.829 1.00 0.00 C HETATM 517 C4' PSO B 1 2.086 0.053 2.673 1.00 0.00 C HETATM 518 C5' PSO B 1 3.272 0.291 1.750 1.00 0.00 C HETATM 519 O6' PSO B 1 2.761 0.456 0.416 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.325 0.236 -2.506 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.916 -1.043 2.134 1.00 0.00 C HETATM 522 C13 PSO B 1 2.064 0.795 4.021 1.00 0.00 C HETATM 523 O14 PSO B 1 1.699 2.156 3.963 1.00 0.00 O HETATM 524 C15 PSO B 1 4.058 1.456 2.330 1.00 0.00 C HETATM 525 C16 PSO B 1 1.292 -0.122 -1.928 1.00 0.00 C HETATM 0 H163 PSO B 1 1.923 0.709 -2.242 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.900 -1.021 -1.829 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.515 -0.289 -2.674 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.420 2.339 2.374 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.396 1.202 3.335 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.922 1.663 1.698 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.372 0.280 4.687 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.054 0.722 4.471 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.961 -0.987 2.437 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.715 -2.025 1.706 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.277 -0.889 3.003 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.798 0.243 2.940 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.713 2.537 4.866 1.00 0.00 H new