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 27:sc= 0.0586 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.5 (180deg=-1.5) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.431 USER MOD Single : B 9 DG O5' : rot 51:sc= 0.993 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.61 (180deg=-1.61) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.822 -10.869 8.870 1.00 0.00 O ATOM 2 C5' DG A 1 -0.741 -11.200 9.712 1.00 0.00 C ATOM 3 C4' DG A 1 0.585 -10.892 9.010 1.00 0.00 C ATOM 4 O4' DG A 1 0.596 -11.516 7.732 1.00 0.00 O ATOM 5 C3' DG A 1 0.806 -9.389 8.794 1.00 0.00 C ATOM 6 O3' DG A 1 2.165 -9.115 9.087 1.00 0.00 O ATOM 7 C2' DG A 1 0.460 -9.230 7.316 1.00 0.00 C ATOM 8 C1' DG A 1 0.943 -10.559 6.744 1.00 0.00 C ATOM 9 N9 DG A 1 0.294 -10.906 5.459 1.00 0.00 N ATOM 10 C8 DG A 1 -1.046 -11.001 5.182 1.00 0.00 C ATOM 11 N7 DG A 1 -1.319 -11.375 3.965 1.00 0.00 N ATOM 12 C5 DG A 1 -0.066 -11.558 3.387 1.00 0.00 C ATOM 13 C6 DG A 1 0.290 -11.945 2.060 1.00 0.00 C ATOM 14 O6 DG A 1 -0.455 -12.255 1.134 1.00 0.00 O ATOM 15 N1 DG A 1 1.660 -11.952 1.850 1.00 0.00 N ATOM 16 C2 DG A 1 2.588 -11.661 2.821 1.00 0.00 C ATOM 17 N2 DG A 1 3.876 -11.690 2.500 1.00 0.00 N ATOM 18 N3 DG A 1 2.268 -11.303 4.070 1.00 0.00 N ATOM 19 C4 DG A 1 0.927 -11.267 4.290 1.00 0.00 C ATOM 0 H5' DG A 1 -0.785 -12.257 9.976 1.00 0.00 H new ATOM 0 H5'' DG A 1 -0.809 -10.636 10.642 1.00 0.00 H new ATOM 0 H4' DG A 1 1.378 -11.269 9.655 1.00 0.00 H new ATOM 0 H3' DG A 1 0.220 -8.709 9.413 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.608 -9.080 7.159 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.971 -8.380 6.865 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.540 -10.935 7.934 1.00 0.00 H new ATOM 0 H1' DG A 1 2.010 -10.519 6.526 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.811 -10.784 5.913 1.00 0.00 H new ATOM 0 H1 DG A 1 2.000 -12.188 0.918 1.00 0.00 H new ATOM 0 H21 DG A 1 4.582 -11.477 3.205 1.00 0.00 H new ATOM 0 H22 DG A 1 4.159 -11.925 1.549 1.00 0.00 H new ATOM 32 P DC A 2 2.822 -7.650 8.956 1.00 0.00 P ATOM 33 OP1 DC A 2 3.716 -7.442 10.115 1.00 0.00 O ATOM 34 OP2 DC A 2 1.750 -6.672 8.668 1.00 0.00 O ATOM 35 O5' DC A 2 3.723 -7.817 7.632 1.00 0.00 O ATOM 36 C5' DC A 2 4.788 -8.748 7.608 1.00 0.00 C ATOM 37 C4' DC A 2 5.577 -8.657 6.300 1.00 0.00 C ATOM 38 O4' DC A 2 4.787 -9.069 5.203 1.00 0.00 O ATOM 39 C3' DC A 2 6.062 -7.234 6.012 1.00 0.00 C ATOM 40 O3' DC A 2 7.431 -7.366 5.684 1.00 0.00 O ATOM 41 C2' DC A 2 5.147 -6.769 4.868 1.00 0.00 C ATOM 42 C1' DC A 2 4.813 -8.088 4.181 1.00 0.00 C ATOM 43 N1 DC A 2 3.468 -8.099 3.546 1.00 0.00 N ATOM 44 C2 DC A 2 3.345 -8.489 2.218 1.00 0.00 C ATOM 45 O2 DC A 2 4.340 -8.649 1.517 1.00 0.00 O ATOM 46 N3 DC A 2 2.105 -8.696 1.684 1.00 0.00 N ATOM 47 C4 DC A 2 1.016 -8.477 2.433 1.00 0.00 C ATOM 48 N4 DC A 2 -0.165 -8.834 1.943 1.00 0.00 N ATOM 49 C5 DC A 2 1.109 -8.054 3.795 1.00 0.00 C ATOM 50 C6 DC A 2 2.349 -7.894 4.306 1.00 0.00 C ATOM 0 H5' DC A 2 4.394 -9.757 7.728 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.454 -8.563 8.451 1.00 0.00 H new ATOM 0 H4' DC A 2 6.438 -9.314 6.424 1.00 0.00 H new ATOM 0 H3' DC A 2 6.005 -6.500 6.815 1.00 0.00 H new ATOM 0 H2' DC A 2 4.255 -6.263 5.238 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.652 -6.075 4.197 1.00 0.00 H new ATOM 0 H1' DC A 2 5.552 -8.262 3.399 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.012 -8.680 2.490 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.225 -9.262 1.019 1.00 0.00 H new ATOM 0 H5 DC A 2 0.226 -7.870 4.390 1.00 0.00 H new ATOM 0 H6 DC A 2 2.460 -7.597 5.339 1.00 0.00 H new ATOM 62 P DG A 3 8.406 -6.106 5.519 1.00 0.00 P ATOM 63 OP1 DG A 3 9.800 -6.596 5.497 1.00 0.00 O ATOM 64 OP2 DG A 3 7.999 -5.066 6.488 1.00 0.00 O ATOM 65 O5' DG A 3 7.998 -5.622 4.051 1.00 0.00 O ATOM 66 C5' DG A 3 8.279 -6.411 2.914 1.00 0.00 C ATOM 67 C4' DG A 3 7.703 -5.730 1.672 1.00 0.00 C ATOM 68 O4' DG A 3 6.352 -6.014 1.412 1.00 0.00 O ATOM 69 C3' DG A 3 7.799 -4.209 1.747 1.00 0.00 C ATOM 70 O3' DG A 3 8.190 -3.745 0.490 1.00 0.00 O ATOM 71 C2' DG A 3 6.361 -3.848 2.042 1.00 0.00 C ATOM 72 C1' DG A 3 5.727 -4.801 1.041 1.00 0.00 C ATOM 73 N9 DG A 3 4.303 -5.040 1.128 1.00 0.00 N ATOM 74 C8 DG A 3 3.572 -4.955 2.243 1.00 0.00 C ATOM 75 N7 DG A 3 2.347 -5.376 2.137 1.00 0.00 N ATOM 76 C5 DG A 3 2.263 -5.713 0.783 1.00 0.00 C ATOM 77 C6 DG A 3 1.158 -6.138 -0.003 1.00 0.00 C ATOM 78 O6 DG A 3 0.046 -6.482 0.382 1.00 0.00 O ATOM 79 N1 DG A 3 1.439 -6.139 -1.359 1.00 0.00 N ATOM 80 C2 DG A 3 2.677 -5.888 -1.899 1.00 0.00 C ATOM 81 N2 DG A 3 2.822 -5.945 -3.217 1.00 0.00 N ATOM 82 N3 DG A 3 3.755 -5.610 -1.164 1.00 0.00 N ATOM 83 C4 DG A 3 3.465 -5.502 0.156 1.00 0.00 C ATOM 0 H5' DG A 3 7.847 -7.405 3.031 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.356 -6.542 2.805 1.00 0.00 H new ATOM 0 H4' DG A 3 8.320 -6.142 0.873 1.00 0.00 H new ATOM 0 H3' DG A 3 8.504 -3.800 2.471 1.00 0.00 H new ATOM 0 H2' DG A 3 6.069 -4.050 3.073 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.131 -2.801 1.845 1.00 0.00 H new ATOM 0 H1' DG A 3 5.855 -4.396 0.037 1.00 0.00 H new ATOM 0 H8 DG A 3 3.971 -4.564 3.167 1.00 0.00 H new ATOM 0 H1 DG A 3 0.673 -6.340 -2.002 1.00 0.00 H new ATOM 0 H21 DG A 3 3.733 -5.762 -3.638 1.00 0.00 H new ATOM 0 H22 DG A 3 2.023 -6.172 -3.809 1.00 0.00 H new ATOM 95 P DT A 4 9.693 -3.821 -0.040 1.00 0.00 P ATOM 96 OP1 DT A 4 9.809 -4.982 -0.947 1.00 0.00 O ATOM 97 OP2 DT A 4 10.601 -3.675 1.117 1.00 0.00 O ATOM 98 O5' DT A 4 9.669 -2.461 -0.874 1.00 0.00 O ATOM 99 C5' DT A 4 8.537 -2.107 -1.646 1.00 0.00 C ATOM 100 C4' DT A 4 7.400 -1.413 -0.854 1.00 0.00 C ATOM 101 O4' DT A 4 6.247 -2.247 -0.698 1.00 0.00 O ATOM 102 C3' DT A 4 7.672 -0.913 0.594 1.00 0.00 C ATOM 103 O3' DT A 4 8.960 -0.292 0.766 1.00 0.00 O ATOM 104 C2' DT A 4 6.182 -0.523 0.670 1.00 0.00 C ATOM 105 C1' DT A 4 5.262 -1.406 -0.133 1.00 0.00 C ATOM 106 N1 DT A 4 4.073 -1.908 0.680 1.00 0.00 N ATOM 107 C2 DT A 4 2.990 -2.439 -0.014 1.00 0.00 C ATOM 108 O2 DT A 4 3.043 -2.683 -1.213 1.00 0.00 O ATOM 109 N3 DT A 4 1.829 -2.694 0.687 1.00 0.00 N ATOM 110 C4 DT A 4 1.523 -2.379 1.990 1.00 0.00 C ATOM 111 O4 DT A 4 0.500 -2.815 2.510 1.00 0.00 O ATOM 112 C5 DT A 4 2.477 -1.480 2.768 1.00 0.00 C ATOM 113 C7 DT A 4 2.768 -1.973 4.189 1.00 0.00 C ATOM 114 C6 DT A 4 3.768 -1.212 1.996 1.00 0.00 C ATOM 0 H5' DT A 4 8.138 -3.007 -2.113 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.856 -1.445 -2.451 1.00 0.00 H new ATOM 0 H4' DT A 4 7.274 -0.545 -1.501 1.00 0.00 H new ATOM 0 H3' DT A 4 7.978 -1.363 1.539 1.00 0.00 H new ATOM 0 H2' DT A 4 5.867 -0.545 1.713 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.071 0.505 0.325 1.00 0.00 H new ATOM 0 H1' DT A 4 4.633 -1.003 -0.927 1.00 0.00 H new ATOM 0 H3 DT A 4 1.099 -3.182 0.168 1.00 0.00 H new ATOM 0 H71 DT A 4 3.770 -1.662 4.484 1.00 0.00 H new ATOM 0 H72 DT A 4 2.039 -1.547 4.878 1.00 0.00 H new ATOM 0 H73 DT A 4 2.702 -3.061 4.217 1.00 0.00 H new ATOM 0 H6 DT A 4 4.483 -0.509 2.396 1.00 0.00 H new ATOM 127 P DA A 5 9.771 0.754 -0.203 1.00 0.00 P ATOM 128 OP1 DA A 5 10.972 0.053 -0.703 1.00 0.00 O ATOM 129 OP2 DA A 5 9.931 2.012 0.556 1.00 0.00 O ATOM 130 O5' DA A 5 8.841 1.081 -1.469 1.00 0.00 O ATOM 131 C5' DA A 5 7.725 1.912 -1.302 1.00 0.00 C ATOM 132 C4' DA A 5 6.676 1.662 -2.400 1.00 0.00 C ATOM 133 O4' DA A 5 5.378 1.422 -1.870 1.00 0.00 O ATOM 134 C3' DA A 5 6.620 2.823 -3.360 1.00 0.00 C ATOM 135 O3' DA A 5 6.409 2.451 -4.712 1.00 0.00 O ATOM 136 C2' DA A 5 5.452 3.516 -2.760 1.00 0.00 C ATOM 137 C1' DA A 5 4.525 2.504 -2.174 1.00 0.00 C ATOM 138 N9 DA A 5 3.952 3.064 -0.928 1.00 0.00 N ATOM 139 C8 DA A 5 4.620 3.657 0.111 1.00 0.00 C ATOM 140 N7 DA A 5 3.877 4.086 1.085 1.00 0.00 N ATOM 141 C5 DA A 5 2.600 3.777 0.636 1.00 0.00 C ATOM 142 C6 DA A 5 1.323 3.994 1.170 1.00 0.00 C ATOM 143 N6 DA A 5 1.136 4.425 2.411 1.00 0.00 N ATOM 144 N1 DA A 5 0.264 3.818 0.374 1.00 0.00 N ATOM 145 C2 DA A 5 0.476 3.355 -0.848 1.00 0.00 C ATOM 146 N3 DA A 5 1.600 3.029 -1.452 1.00 0.00 N ATOM 147 C4 DA A 5 2.639 3.263 -0.634 1.00 0.00 C ATOM 0 H5' DA A 5 8.039 2.956 -1.326 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.280 1.735 -0.323 1.00 0.00 H new ATOM 0 H4' DA A 5 6.992 0.763 -2.929 1.00 0.00 H new ATOM 0 H3' DA A 5 7.539 3.402 -3.450 1.00 0.00 H new ATOM 0 H2' DA A 5 5.784 4.211 -1.989 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.935 4.104 -3.518 1.00 0.00 H new ATOM 0 H1' DA A 5 3.700 2.219 -2.827 1.00 0.00 H new ATOM 0 H8 DA A 5 5.695 3.761 0.119 1.00 0.00 H new ATOM 0 H61 DA A 5 0.190 4.571 2.763 1.00 0.00 H new ATOM 0 H62 DA A 5 1.938 4.610 3.013 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.415 3.224 -1.445 1.00 0.00 H new ATOM 159 P DC A 6 6.425 3.543 -5.909 1.00 0.00 P ATOM 160 OP1 DC A 6 6.328 2.811 -7.190 1.00 0.00 O ATOM 161 OP2 DC A 6 7.572 4.445 -5.667 1.00 0.00 O ATOM 162 O5' DC A 6 5.066 4.401 -5.710 1.00 0.00 O ATOM 163 C5' DC A 6 3.802 3.864 -6.046 1.00 0.00 C ATOM 164 C4' DC A 6 2.644 4.738 -5.538 1.00 0.00 C ATOM 165 O4' DC A 6 2.509 4.697 -4.121 1.00 0.00 O ATOM 166 C3' DC A 6 2.731 6.233 -5.915 1.00 0.00 C ATOM 167 O3' DC A 6 1.657 6.534 -6.795 1.00 0.00 O ATOM 168 C2' DC A 6 2.592 6.897 -4.543 1.00 0.00 C ATOM 169 C1' DC A 6 1.781 5.864 -3.786 1.00 0.00 C ATOM 170 N1 DC A 6 1.742 6.203 -2.341 1.00 0.00 N ATOM 171 C2 DC A 6 0.523 6.567 -1.756 1.00 0.00 C ATOM 172 O2 DC A 6 -0.533 6.550 -2.385 1.00 0.00 O ATOM 173 N3 DC A 6 0.494 6.954 -0.451 1.00 0.00 N ATOM 174 C4 DC A 6 1.631 7.042 0.242 1.00 0.00 C ATOM 175 N4 DC A 6 1.575 7.346 1.529 1.00 0.00 N ATOM 176 C5 DC A 6 2.879 6.648 -0.321 1.00 0.00 C ATOM 177 C6 DC A 6 2.894 6.231 -1.600 1.00 0.00 C ATOM 0 H5' DC A 6 3.711 2.863 -5.624 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.729 3.762 -7.129 1.00 0.00 H new ATOM 0 H4' DC A 6 1.786 4.293 -6.043 1.00 0.00 H new ATOM 0 H3' DC A 6 3.633 6.555 -6.435 1.00 0.00 H new ATOM 0 H2' DC A 6 3.560 7.080 -4.076 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.080 7.857 -4.602 1.00 0.00 H new ATOM 0 H1' DC A 6 0.723 5.776 -4.031 1.00 0.00 H new ATOM 0 H41 DC A 6 2.434 7.417 2.074 1.00 0.00 H new ATOM 0 H42 DC A 6 0.673 7.509 1.976 1.00 0.00 H new ATOM 0 H5 DC A 6 3.787 6.683 0.262 1.00 0.00 H new ATOM 0 H6 DC A 6 3.825 5.915 -2.048 1.00 0.00 H new ATOM 189 P DG A 7 1.295 8.035 -7.283 1.00 0.00 P ATOM 190 OP1 DG A 7 0.934 7.966 -8.715 1.00 0.00 O ATOM 191 OP2 DG A 7 2.376 8.945 -6.847 1.00 0.00 O ATOM 192 O5' DG A 7 -0.039 8.382 -6.432 1.00 0.00 O ATOM 193 C5' DG A 7 -1.241 7.680 -6.692 1.00 0.00 C ATOM 194 C4' DG A 7 -2.467 8.193 -5.923 1.00 0.00 C ATOM 195 O4' DG A 7 -2.205 8.161 -4.532 1.00 0.00 O ATOM 196 C3' DG A 7 -2.867 9.631 -6.280 1.00 0.00 C ATOM 197 O3' DG A 7 -4.282 9.731 -6.222 1.00 0.00 O ATOM 198 C2' DG A 7 -2.154 10.397 -5.184 1.00 0.00 C ATOM 199 C1' DG A 7 -2.372 9.462 -3.997 1.00 0.00 C ATOM 200 N9 DG A 7 -1.395 9.674 -2.915 1.00 0.00 N ATOM 201 C8 DG A 7 -0.035 9.780 -3.023 1.00 0.00 C ATOM 202 N7 DG A 7 0.581 9.921 -1.883 1.00 0.00 N ATOM 203 C5 DG A 7 -0.449 9.863 -0.942 1.00 0.00 C ATOM 204 C6 DG A 7 -0.415 9.910 0.485 1.00 0.00 C ATOM 205 O6 DG A 7 0.545 10.129 1.217 1.00 0.00 O ATOM 206 N1 DG A 7 -1.653 9.671 1.064 1.00 0.00 N ATOM 207 C2 DG A 7 -2.817 9.532 0.356 1.00 0.00 C ATOM 208 N2 DG A 7 -3.947 9.356 1.031 1.00 0.00 N ATOM 209 N3 DG A 7 -2.878 9.561 -0.978 1.00 0.00 N ATOM 210 C4 DG A 7 -1.658 9.688 -1.566 1.00 0.00 C ATOM 0 H5' DG A 7 -1.091 6.628 -6.448 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.452 7.732 -7.760 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.288 7.534 -6.206 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.602 9.991 -7.274 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.097 10.547 -5.404 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.588 11.383 -5.019 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.352 9.634 -3.551 1.00 0.00 H new ATOM 0 H8 DG A 7 0.483 9.749 -3.970 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.699 9.594 2.080 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.829 9.250 0.530 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.933 9.327 2.050 1.00 0.00 H new ATOM 222 P DC A 8 -5.080 11.076 -6.627 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.240 10.687 -7.457 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.103 12.056 -7.146 1.00 0.00 O ATOM 225 O5' DC A 8 -5.624 11.617 -5.210 1.00 0.00 O ATOM 226 C5' DC A 8 -6.787 11.066 -4.620 1.00 0.00 C ATOM 227 C4' DC A 8 -6.949 11.581 -3.187 1.00 0.00 C ATOM 228 O4' DC A 8 -5.828 11.211 -2.413 1.00 0.00 O ATOM 229 C3' DC A 8 -7.011 13.102 -3.061 1.00 0.00 C ATOM 230 O3' DC A 8 -8.295 13.622 -3.334 1.00 0.00 O ATOM 231 C2' DC A 8 -6.633 13.287 -1.596 1.00 0.00 C ATOM 232 C1' DC A 8 -5.769 12.059 -1.276 1.00 0.00 C ATOM 233 N1 DC A 8 -4.357 12.440 -0.998 1.00 0.00 N ATOM 234 C2 DC A 8 -3.955 12.593 0.326 1.00 0.00 C ATOM 235 O2 DC A 8 -4.763 12.520 1.248 1.00 0.00 O ATOM 236 N3 DC A 8 -2.642 12.828 0.603 1.00 0.00 N ATOM 237 C4 DC A 8 -1.760 12.959 -0.393 1.00 0.00 C ATOM 238 N4 DC A 8 -0.479 13.105 -0.081 1.00 0.00 N ATOM 239 C5 DC A 8 -2.150 12.860 -1.767 1.00 0.00 C ATOM 240 C6 DC A 8 -3.453 12.595 -2.016 1.00 0.00 C ATOM 0 H5' DC A 8 -6.722 9.978 -4.618 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.664 11.331 -5.211 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.891 11.146 -2.853 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.369 13.625 -3.770 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.082 14.214 -1.440 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.516 13.330 -0.959 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.280 14.597 -3.238 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.143 11.561 -0.382 1.00 0.00 H new ATOM 0 H41 DC A 8 0.217 13.207 -0.819 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.190 13.115 0.897 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.437 12.991 -2.568 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.788 12.504 -3.039 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 1.285 11.923 9.574 1.00 0.00 O ATOM 255 C5' DG B 9 0.241 12.365 10.410 1.00 0.00 C ATOM 256 C4' DG B 9 -1.055 11.565 10.212 1.00 0.00 C ATOM 257 O4' DG B 9 -1.570 11.731 8.900 1.00 0.00 O ATOM 258 C3' DG B 9 -0.900 10.058 10.415 1.00 0.00 C ATOM 259 O3' DG B 9 -2.151 9.621 10.917 1.00 0.00 O ATOM 260 C2' DG B 9 -0.562 9.580 8.999 1.00 0.00 C ATOM 261 C1' DG B 9 -1.328 10.570 8.116 1.00 0.00 C ATOM 262 N9 DG B 9 -0.647 10.991 6.865 1.00 0.00 N ATOM 263 C8 DG B 9 0.692 11.151 6.599 1.00 0.00 C ATOM 264 N7 DG B 9 0.951 11.646 5.422 1.00 0.00 N ATOM 265 C5 DG B 9 -0.305 11.837 4.856 1.00 0.00 C ATOM 266 C6 DG B 9 -0.675 12.331 3.569 1.00 0.00 C ATOM 267 O6 DG B 9 0.053 12.775 2.686 1.00 0.00 O ATOM 268 N1 DG B 9 -2.041 12.276 3.344 1.00 0.00 N ATOM 269 C2 DG B 9 -2.958 11.867 4.281 1.00 0.00 C ATOM 270 N2 DG B 9 -4.243 11.869 3.949 1.00 0.00 N ATOM 271 N3 DG B 9 -2.628 11.433 5.503 1.00 0.00 N ATOM 272 C4 DG B 9 -1.287 11.434 5.728 1.00 0.00 C ATOM 0 H5' DG B 9 0.046 13.419 10.214 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.556 12.287 11.451 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.724 11.965 10.974 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.143 9.696 11.111 1.00 0.00 H new ATOM 0 H2' DG B 9 0.510 9.612 8.806 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.886 8.553 8.830 1.00 0.00 H new ATOM 0 HO5' DG B 9 0.966 11.876 8.649 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.229 10.051 7.789 1.00 0.00 H new ATOM 0 H8 DG B 9 1.465 10.888 7.306 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.387 12.556 2.426 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.945 11.570 4.626 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.528 12.170 3.017 1.00 0.00 H new ATOM 285 P DC B 10 -2.523 8.081 11.168 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.355 7.998 12.388 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.291 7.270 11.057 1.00 0.00 O ATOM 288 O5' DC B 10 -3.447 7.791 9.887 1.00 0.00 O ATOM 289 C5' DC B 10 -4.721 8.394 9.757 1.00 0.00 C ATOM 290 C4' DC B 10 -5.359 8.026 8.413 1.00 0.00 C ATOM 291 O4' DC B 10 -4.637 8.642 7.349 1.00 0.00 O ATOM 292 C3' DC B 10 -5.347 6.507 8.176 1.00 0.00 C ATOM 293 O3' DC B 10 -6.572 6.156 7.585 1.00 0.00 O ATOM 294 C2' DC B 10 -4.139 6.408 7.249 1.00 0.00 C ATOM 295 C1' DC B 10 -4.284 7.660 6.393 1.00 0.00 C ATOM 296 N1 DC B 10 -3.032 8.002 5.668 1.00 0.00 N ATOM 297 C2 DC B 10 -3.064 8.559 4.391 1.00 0.00 C ATOM 298 O2 DC B 10 -4.129 8.771 3.813 1.00 0.00 O ATOM 299 N3 DC B 10 -1.884 8.877 3.768 1.00 0.00 N ATOM 300 C4 DC B 10 -0.717 8.589 4.364 1.00 0.00 C ATOM 301 N4 DC B 10 0.416 8.977 3.792 1.00 0.00 N ATOM 302 C5 DC B 10 -0.666 7.962 5.645 1.00 0.00 C ATOM 303 C6 DC B 10 -1.837 7.698 6.234 1.00 0.00 C ATOM 0 H5' DC B 10 -4.626 9.477 9.836 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.367 8.070 10.573 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.391 8.376 8.439 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.260 5.844 9.037 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.200 6.401 7.803 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.161 5.499 6.648 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.017 7.551 5.594 1.00 0.00 H new ATOM 0 H41 DC B 10 1.310 8.764 4.235 1.00 0.00 H new ATOM 0 H42 DC B 10 0.393 9.488 2.909 1.00 0.00 H new ATOM 0 H5 DC B 10 0.273 7.713 6.116 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.831 7.222 7.203 1.00 0.00 H new ATOM 315 P DG B 11 -7.020 4.632 7.379 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.252 4.400 8.162 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.843 3.757 7.564 1.00 0.00 O ATOM 318 O5' DG B 11 -7.379 4.673 5.822 1.00 0.00 O ATOM 319 C5' DG B 11 -8.336 5.584 5.326 1.00 0.00 C ATOM 320 C4' DG B 11 -8.455 5.427 3.812 1.00 0.00 C ATOM 321 O4' DG B 11 -7.289 5.945 3.201 1.00 0.00 O ATOM 322 C3' DG B 11 -8.590 3.958 3.407 1.00 0.00 C ATOM 323 O3' DG B 11 -9.572 3.897 2.391 1.00 0.00 O ATOM 324 C2' DG B 11 -7.168 3.591 2.975 1.00 0.00 C ATOM 325 C1' DG B 11 -6.600 4.929 2.496 1.00 0.00 C ATOM 326 N9 DG B 11 -5.160 5.087 2.785 1.00 0.00 N ATOM 327 C8 DG B 11 -4.523 4.910 3.987 1.00 0.00 C ATOM 328 N7 DG B 11 -3.282 5.294 3.998 1.00 0.00 N ATOM 329 C5 DG B 11 -3.063 5.718 2.693 1.00 0.00 C ATOM 330 C6 DG B 11 -1.868 6.173 2.072 1.00 0.00 C ATOM 331 O6 DG B 11 -0.774 6.349 2.594 1.00 0.00 O ATOM 332 N1 DG B 11 -2.018 6.427 0.723 1.00 0.00 N ATOM 333 C2 DG B 11 -3.202 6.305 0.042 1.00 0.00 C ATOM 334 N2 DG B 11 -3.176 6.526 -1.267 1.00 0.00 N ATOM 335 N3 DG B 11 -4.340 5.878 0.610 1.00 0.00 N ATOM 336 C4 DG B 11 -4.201 5.593 1.936 1.00 0.00 C ATOM 0 H5' DG B 11 -8.044 6.605 5.574 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.302 5.405 5.798 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.346 5.965 3.489 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.925 3.255 4.170 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.589 3.179 3.801 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.167 2.844 2.181 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.726 4.982 1.415 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.012 4.487 4.852 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.195 6.725 0.199 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.033 6.447 -1.815 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.299 6.775 -1.725 1.00 0.00 H new ATOM 348 P DT B 12 -10.169 2.504 1.855 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.481 2.775 1.231 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.057 1.501 2.936 1.00 0.00 O ATOM 351 O5' DT B 12 -9.114 2.144 0.709 1.00 0.00 O ATOM 352 C5' DT B 12 -9.080 2.875 -0.499 1.00 0.00 C ATOM 353 C4' DT B 12 -7.861 2.452 -1.314 1.00 0.00 C ATOM 354 O4' DT B 12 -6.657 2.818 -0.681 1.00 0.00 O ATOM 355 C3' DT B 12 -7.768 0.937 -1.504 1.00 0.00 C ATOM 356 O3' DT B 12 -8.494 0.606 -2.672 1.00 0.00 O ATOM 357 C2' DT B 12 -6.253 0.701 -1.560 1.00 0.00 C ATOM 358 C1' DT B 12 -5.641 2.092 -1.343 1.00 0.00 C ATOM 359 N1 DT B 12 -4.402 2.146 -0.530 1.00 0.00 N ATOM 360 C2 DT B 12 -3.411 3.094 -0.744 1.00 0.00 C ATOM 361 O2 DT B 12 -3.350 3.759 -1.772 1.00 0.00 O ATOM 362 N3 DT B 12 -2.481 3.261 0.265 1.00 0.00 N ATOM 363 C4 DT B 12 -2.441 2.594 1.463 1.00 0.00 C ATOM 364 O4 DT B 12 -1.730 2.998 2.379 1.00 0.00 O ATOM 365 C5 DT B 12 -3.292 1.342 1.642 1.00 0.00 C ATOM 366 C7 DT B 12 -4.196 1.399 2.878 1.00 0.00 C ATOM 367 C6 DT B 12 -4.218 1.087 0.473 1.00 0.00 C ATOM 0 H5' DT B 12 -9.038 3.944 -0.289 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.992 2.698 -1.070 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.991 2.957 -2.271 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.202 0.305 -0.729 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.931 0.001 -0.789 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.952 0.280 -2.519 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.329 2.486 -2.310 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.749 3.952 0.102 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.099 0.816 2.696 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.665 0.987 3.736 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.468 2.435 3.083 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.735 0.144 0.377 1.00 0.00 H new ATOM 380 P DA B 13 -8.920 -0.904 -3.030 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.968 -0.845 -4.071 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.181 -1.625 -1.765 1.00 0.00 O ATOM 383 O5' DA B 13 -7.586 -1.500 -3.684 1.00 0.00 O ATOM 384 C5' DA B 13 -7.051 -0.950 -4.870 1.00 0.00 C ATOM 385 C4' DA B 13 -5.761 -1.695 -5.202 1.00 0.00 C ATOM 386 O4' DA B 13 -4.867 -1.604 -4.111 1.00 0.00 O ATOM 387 C3' DA B 13 -6.025 -3.182 -5.473 1.00 0.00 C ATOM 388 O3' DA B 13 -5.260 -3.692 -6.541 1.00 0.00 O ATOM 389 C2' DA B 13 -5.495 -3.798 -4.197 1.00 0.00 C ATOM 390 C1' DA B 13 -4.312 -2.879 -3.892 1.00 0.00 C ATOM 391 N9 DA B 13 -3.894 -3.030 -2.492 1.00 0.00 N ATOM 392 C8 DA B 13 -4.709 -2.953 -1.402 1.00 0.00 C ATOM 393 N7 DA B 13 -4.158 -3.370 -0.295 1.00 0.00 N ATOM 394 C5 DA B 13 -2.831 -3.572 -0.667 1.00 0.00 C ATOM 395 C6 DA B 13 -1.671 -3.856 0.071 1.00 0.00 C ATOM 396 N6 DA B 13 -1.690 -4.160 1.365 1.00 0.00 N ATOM 397 N1 DA B 13 -0.481 -3.680 -0.513 1.00 0.00 N ATOM 398 C2 DA B 13 -0.427 -3.376 -1.800 1.00 0.00 C ATOM 399 N3 DA B 13 -1.441 -3.182 -2.641 1.00 0.00 N ATOM 400 C4 DA B 13 -2.635 -3.272 -1.992 1.00 0.00 C ATOM 0 H5' DA B 13 -6.853 0.114 -4.740 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.765 -1.043 -5.688 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.338 -1.237 -6.096 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.066 -3.378 -5.729 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.237 -3.792 -3.398 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.186 -4.834 -4.338 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.425 -3.082 -4.492 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.721 -2.580 -1.450 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.818 -4.358 1.855 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.577 -4.195 1.868 1.00 0.00 H new ATOM 0 H2 DA B 13 0.562 -3.272 -2.220 1.00 0.00 H new ATOM 412 P DC B 14 -5.727 -3.525 -8.065 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.655 -2.089 -8.411 1.00 0.00 O ATOM 414 OP2 DC B 14 -7.006 -4.250 -8.220 1.00 0.00 O ATOM 415 O5' DC B 14 -4.588 -4.325 -8.874 1.00 0.00 O ATOM 416 C5' DC B 14 -3.241 -3.894 -8.879 1.00 0.00 C ATOM 417 C4' DC B 14 -2.326 -4.793 -8.035 1.00 0.00 C ATOM 418 O4' DC B 14 -2.565 -4.744 -6.635 1.00 0.00 O ATOM 419 C3' DC B 14 -2.400 -6.284 -8.396 1.00 0.00 C ATOM 420 O3' DC B 14 -1.409 -6.584 -9.358 1.00 0.00 O ATOM 421 C2' DC B 14 -2.194 -6.957 -7.032 1.00 0.00 C ATOM 422 C1' DC B 14 -1.779 -5.809 -6.124 1.00 0.00 C ATOM 423 N1 DC B 14 -1.999 -6.143 -4.688 1.00 0.00 N ATOM 424 C2 DC B 14 -0.894 -6.256 -3.849 1.00 0.00 C ATOM 425 O2 DC B 14 0.252 -6.110 -4.264 1.00 0.00 O ATOM 426 N3 DC B 14 -1.081 -6.537 -2.533 1.00 0.00 N ATOM 427 C4 DC B 14 -2.303 -6.788 -2.060 1.00 0.00 C ATOM 428 N4 DC B 14 -2.447 -6.995 -0.759 1.00 0.00 N ATOM 429 C5 DC B 14 -3.451 -6.766 -2.909 1.00 0.00 C ATOM 430 C6 DC B 14 -3.242 -6.452 -4.208 1.00 0.00 C ATOM 0 H5' DC B 14 -3.189 -2.873 -8.500 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.875 -3.872 -9.905 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.350 -4.371 -8.276 1.00 0.00 H new ATOM 0 H3' DC B 14 -3.327 -6.620 -8.861 1.00 0.00 H new ATOM 0 H2' DC B 14 -3.107 -7.436 -6.680 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.426 -7.729 -7.078 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.718 -5.561 -6.131 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.371 -7.189 -0.373 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.634 -6.960 -0.144 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.438 -6.989 -2.532 1.00 0.00 H new ATOM 0 H6 DC B 14 -4.082 -6.445 -4.887 1.00 0.00 H new ATOM 442 P DG B 15 -1.070 -8.096 -9.797 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.581 -8.070 -11.192 1.00 0.00 O ATOM 444 OP2 DG B 15 -2.218 -8.955 -9.436 1.00 0.00 O ATOM 445 O5' DG B 15 0.163 -8.445 -8.813 1.00 0.00 O ATOM 446 C5' DG B 15 1.399 -7.779 -8.961 1.00 0.00 C ATOM 447 C4' DG B 15 2.594 -8.329 -8.166 1.00 0.00 C ATOM 448 O4' DG B 15 2.343 -8.091 -6.796 1.00 0.00 O ATOM 449 C3' DG B 15 2.856 -9.840 -8.349 1.00 0.00 C ATOM 450 O3' DG B 15 4.229 -10.128 -8.145 1.00 0.00 O ATOM 451 C2' DG B 15 1.947 -10.334 -7.246 1.00 0.00 C ATOM 452 C1' DG B 15 2.323 -9.342 -6.155 1.00 0.00 C ATOM 453 N9 DG B 15 1.376 -9.373 -5.043 1.00 0.00 N ATOM 454 C8 DG B 15 0.058 -9.670 -5.111 1.00 0.00 C ATOM 455 N7 DG B 15 -0.552 -9.673 -3.956 1.00 0.00 N ATOM 456 C5 DG B 15 0.474 -9.390 -3.045 1.00 0.00 C ATOM 457 C6 DG B 15 0.487 -9.337 -1.614 1.00 0.00 C ATOM 458 O6 DG B 15 -0.460 -9.415 -0.836 1.00 0.00 O ATOM 459 N1 DG B 15 1.767 -9.177 -1.094 1.00 0.00 N ATOM 460 C2 DG B 15 2.901 -9.064 -1.858 1.00 0.00 C ATOM 461 N2 DG B 15 4.079 -8.970 -1.259 1.00 0.00 N ATOM 462 N3 DG B 15 2.903 -9.096 -3.188 1.00 0.00 N ATOM 463 C4 DG B 15 1.665 -9.251 -3.713 1.00 0.00 C ATOM 0 H5' DG B 15 1.257 -6.736 -8.678 1.00 0.00 H new ATOM 0 H5'' DG B 15 1.664 -7.789 -10.018 1.00 0.00 H new ATOM 0 H4' DG B 15 3.480 -7.819 -8.543 1.00 0.00 H new ATOM 0 H3' DG B 15 2.661 -10.282 -9.326 1.00 0.00 H new ATOM 0 H2' DG B 15 0.892 -10.281 -7.516 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.152 -11.367 -6.964 1.00 0.00 H new ATOM 0 H1' DG B 15 3.287 -9.579 -5.705 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.447 -9.886 -6.041 1.00 0.00 H new ATOM 0 H1 DG B 15 1.869 -9.141 -0.080 1.00 0.00 H new ATOM 0 H21 DG B 15 4.929 -8.886 -1.816 1.00 0.00 H new ATOM 0 H22 DG B 15 4.136 -8.982 -0.241 1.00 0.00 H new ATOM 475 P DC B 16 4.822 -11.628 -8.248 1.00 0.00 P ATOM 476 OP1 DC B 16 6.026 -11.585 -9.104 1.00 0.00 O ATOM 477 OP2 DC B 16 3.710 -12.541 -8.591 1.00 0.00 O ATOM 478 O5' DC B 16 5.281 -11.951 -6.736 1.00 0.00 O ATOM 479 C5' DC B 16 6.444 -11.356 -6.192 1.00 0.00 C ATOM 480 C4' DC B 16 6.611 -11.722 -4.717 1.00 0.00 C ATOM 481 O4' DC B 16 5.542 -11.174 -3.980 1.00 0.00 O ATOM 482 C3' DC B 16 6.575 -13.219 -4.412 1.00 0.00 C ATOM 483 O3' DC B 16 7.819 -13.850 -4.630 1.00 0.00 O ATOM 484 C2' DC B 16 6.210 -13.197 -2.934 1.00 0.00 C ATOM 485 C1' DC B 16 5.406 -11.900 -2.769 1.00 0.00 C ATOM 486 N1 DC B 16 3.968 -12.175 -2.507 1.00 0.00 N ATOM 487 C2 DC B 16 3.538 -12.250 -1.184 1.00 0.00 C ATOM 488 O2 DC B 16 4.333 -12.173 -0.251 1.00 0.00 O ATOM 489 N3 DC B 16 2.211 -12.410 -0.921 1.00 0.00 N ATOM 490 C4 DC B 16 1.338 -12.528 -1.927 1.00 0.00 C ATOM 491 N4 DC B 16 0.046 -12.595 -1.635 1.00 0.00 N ATOM 492 C5 DC B 16 1.751 -12.490 -3.297 1.00 0.00 C ATOM 493 C6 DC B 16 3.070 -12.308 -3.536 1.00 0.00 C ATOM 0 H5' DC B 16 6.385 -10.273 -6.297 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.320 -11.683 -6.752 1.00 0.00 H new ATOM 0 H4' DC B 16 7.594 -11.334 -4.450 1.00 0.00 H new ATOM 0 H3' DC B 16 5.891 -13.782 -5.047 1.00 0.00 H new ATOM 0 H2' DC B 16 5.620 -14.070 -2.656 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.099 -13.198 -2.303 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.743 -14.804 -4.419 1.00 0.00 H new ATOM 0 H1' DC B 16 5.783 -11.337 -1.916 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.642 -12.685 -2.383 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.260 -12.556 -0.663 1.00 0.00 H new ATOM 0 H5 DC B 16 1.042 -12.602 -4.104 1.00 0.00 H new ATOM 0 H6 DC B 16 3.423 -12.267 -4.556 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.442 0.101 -1.386 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.692 0.001 -1.301 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.442 -0.127 0.014 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.611 0.009 1.252 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.369 0.262 2.066 1.00 0.00 C HETATM 512 C6 PSO B 1 1.017 0.401 1.845 1.00 0.00 C HETATM 513 C7 PSO B 1 1.506 0.419 0.588 1.00 0.00 C HETATM 514 C8 PSO B 1 0.645 0.169 -0.486 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.753 0.173 -0.316 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.249 0.161 0.980 1.00 0.00 C HETATM 517 C4' PSO B 1 2.132 0.028 2.772 1.00 0.00 C HETATM 518 C5' PSO B 1 3.297 0.244 1.818 1.00 0.00 C HETATM 519 O6' PSO B 1 2.763 0.434 0.502 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.337 0.006 -2.342 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.915 -1.041 2.331 1.00 0.00 C HETATM 522 C13 PSO B 1 2.165 0.790 4.105 1.00 0.00 C HETATM 523 O14 PSO B 1 1.816 2.154 4.029 1.00 0.00 O HETATM 524 C15 PSO B 1 4.141 1.387 2.358 1.00 0.00 C HETATM 525 C16 PSO B 1 1.214 -0.121 -1.844 1.00 0.00 C HETATM 0 H163 PSO B 1 1.814 0.727 -2.176 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.841 -1.011 -1.793 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.401 -0.289 -2.551 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.534 2.290 2.420 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.511 1.129 3.350 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.985 1.563 1.691 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.488 0.297 4.803 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.168 0.712 4.525 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.958 -0.959 2.635 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.732 -2.038 1.930 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.271 -0.873 3.194 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.757 0.233 3.084 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.864 2.554 4.922 1.00 0.00 H new