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= 0.0599 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.6 (180deg=-1.6) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.435 USER MOD Single : B 9 DG O5' : rot 51:sc= 1 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.64 (180deg=-1.64) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.856 -10.846 8.834 1.00 0.00 O ATOM 2 C5' DG A 1 -0.779 -11.184 9.679 1.00 0.00 C ATOM 3 C4' DG A 1 0.550 -10.877 8.982 1.00 0.00 C ATOM 4 O4' DG A 1 0.562 -11.494 7.701 1.00 0.00 O ATOM 5 C3' DG A 1 0.777 -9.373 8.773 1.00 0.00 C ATOM 6 O3' DG A 1 2.136 -9.105 9.070 1.00 0.00 O ATOM 7 C2' DG A 1 0.434 -9.206 7.296 1.00 0.00 C ATOM 8 C1' DG A 1 0.913 -10.534 6.719 1.00 0.00 C ATOM 9 N9 DG A 1 0.265 -10.873 5.431 1.00 0.00 N ATOM 10 C8 DG A 1 -1.075 -10.961 5.150 1.00 0.00 C ATOM 11 N7 DG A 1 -1.346 -11.332 3.932 1.00 0.00 N ATOM 12 C5 DG A 1 -0.093 -11.519 3.356 1.00 0.00 C ATOM 13 C6 DG A 1 0.265 -11.906 2.030 1.00 0.00 C ATOM 14 O6 DG A 1 -0.479 -12.210 1.101 1.00 0.00 O ATOM 15 N1 DG A 1 1.636 -11.922 1.824 1.00 0.00 N ATOM 16 C2 DG A 1 2.562 -11.637 2.798 1.00 0.00 C ATOM 17 N2 DG A 1 3.851 -11.674 2.481 1.00 0.00 N ATOM 18 N3 DG A 1 2.241 -11.278 4.046 1.00 0.00 N ATOM 19 C4 DG A 1 0.899 -11.235 4.263 1.00 0.00 C ATOM 0 H5' DG A 1 -0.827 -12.242 9.938 1.00 0.00 H new ATOM 0 H5'' DG A 1 -0.848 -10.624 10.612 1.00 0.00 H new ATOM 0 H4' DG A 1 1.340 -11.260 9.628 1.00 0.00 H new ATOM 0 H3' DG A 1 0.192 -8.694 9.394 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.633 -9.052 7.138 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.949 -8.355 6.849 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.570 -10.908 7.899 1.00 0.00 H new ATOM 0 H1' DG A 1 1.981 -10.496 6.504 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.841 -10.741 5.879 1.00 0.00 H new ATOM 0 H1 DG A 1 1.978 -12.160 0.893 1.00 0.00 H new ATOM 0 H21 DG A 1 4.556 -11.466 3.188 1.00 0.00 H new ATOM 0 H22 DG A 1 4.136 -11.910 1.531 1.00 0.00 H new ATOM 32 P DC A 2 2.797 -7.640 8.948 1.00 0.00 P ATOM 33 OP1 DC A 2 3.687 -7.441 10.111 1.00 0.00 O ATOM 34 OP2 DC A 2 1.729 -6.659 8.662 1.00 0.00 O ATOM 35 O5' DC A 2 3.703 -7.803 7.627 1.00 0.00 O ATOM 36 C5' DC A 2 4.767 -8.734 7.603 1.00 0.00 C ATOM 37 C4' DC A 2 5.557 -8.642 6.295 1.00 0.00 C ATOM 38 O4' DC A 2 4.765 -9.050 5.197 1.00 0.00 O ATOM 39 C3' DC A 2 6.045 -7.220 6.008 1.00 0.00 C ATOM 40 O3' DC A 2 7.415 -7.354 5.684 1.00 0.00 O ATOM 41 C2' DC A 2 5.134 -6.753 4.863 1.00 0.00 C ATOM 42 C1' DC A 2 4.796 -8.070 4.175 1.00 0.00 C ATOM 43 N1 DC A 2 3.452 -8.076 3.539 1.00 0.00 N ATOM 44 C2 DC A 2 3.328 -8.466 2.211 1.00 0.00 C ATOM 45 O2 DC A 2 4.323 -8.634 1.513 1.00 0.00 O ATOM 46 N3 DC A 2 2.088 -8.667 1.675 1.00 0.00 N ATOM 47 C4 DC A 2 0.999 -8.439 2.422 1.00 0.00 C ATOM 48 N4 DC A 2 -0.183 -8.787 1.929 1.00 0.00 N ATOM 49 C5 DC A 2 1.092 -8.018 3.784 1.00 0.00 C ATOM 50 C6 DC A 2 2.332 -7.865 4.297 1.00 0.00 C ATOM 0 H5' DC A 2 4.373 -9.743 7.722 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.433 -8.550 8.446 1.00 0.00 H new ATOM 0 H4' DC A 2 6.416 -9.301 6.419 1.00 0.00 H new ATOM 0 H3' DC A 2 5.987 -6.485 6.811 1.00 0.00 H new ATOM 0 H2' DC A 2 4.243 -6.244 5.231 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.643 -6.060 4.192 1.00 0.00 H new ATOM 0 H1' DC A 2 5.535 -8.247 3.393 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.030 -8.626 2.474 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.244 -9.215 1.005 1.00 0.00 H new ATOM 0 H5 DC A 2 0.209 -7.830 4.377 1.00 0.00 H new ATOM 0 H6 DC A 2 2.442 -7.569 5.330 1.00 0.00 H new ATOM 62 P DG A 3 8.393 -6.096 5.518 1.00 0.00 P ATOM 63 OP1 DG A 3 9.786 -6.588 5.506 1.00 0.00 O ATOM 64 OP2 DG A 3 7.982 -5.052 6.482 1.00 0.00 O ATOM 65 O5' DG A 3 7.994 -5.617 4.047 1.00 0.00 O ATOM 66 C5' DG A 3 8.279 -6.410 2.914 1.00 0.00 C ATOM 67 C4' DG A 3 7.711 -5.733 1.667 1.00 0.00 C ATOM 68 O4' DG A 3 6.361 -6.018 1.401 1.00 0.00 O ATOM 69 C3' DG A 3 7.807 -4.212 1.735 1.00 0.00 C ATOM 70 O3' DG A 3 8.196 -3.751 0.477 1.00 0.00 O ATOM 71 C2' DG A 3 6.369 -3.851 2.029 1.00 0.00 C ATOM 72 C1' DG A 3 5.736 -4.805 1.029 1.00 0.00 C ATOM 73 N9 DG A 3 4.313 -5.039 1.117 1.00 0.00 N ATOM 74 C8 DG A 3 3.581 -4.945 2.229 1.00 0.00 C ATOM 75 N7 DG A 3 2.352 -5.354 2.121 1.00 0.00 N ATOM 76 C5 DG A 3 2.268 -5.692 0.768 1.00 0.00 C ATOM 77 C6 DG A 3 1.161 -6.108 -0.021 1.00 0.00 C ATOM 78 O6 DG A 3 0.044 -6.434 0.363 1.00 0.00 O ATOM 79 N1 DG A 3 1.449 -6.122 -1.376 1.00 0.00 N ATOM 80 C2 DG A 3 2.691 -5.886 -1.912 1.00 0.00 C ATOM 81 N2 DG A 3 2.844 -5.958 -3.228 1.00 0.00 N ATOM 82 N3 DG A 3 3.768 -5.613 -1.174 1.00 0.00 N ATOM 83 C4 DG A 3 3.474 -5.496 0.144 1.00 0.00 C ATOM 0 H5' DG A 3 7.845 -7.403 3.032 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.356 -6.543 2.811 1.00 0.00 H new ATOM 0 H4' DG A 3 8.333 -6.148 0.874 1.00 0.00 H new ATOM 0 H3' DG A 3 8.513 -3.801 2.457 1.00 0.00 H new ATOM 0 H2' DG A 3 6.077 -4.052 3.060 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.139 -2.804 1.831 1.00 0.00 H new ATOM 0 H1' DG A 3 5.866 -4.404 0.024 1.00 0.00 H new ATOM 0 H8 DG A 3 3.982 -4.556 3.154 1.00 0.00 H new ATOM 0 H1 DG A 3 0.685 -6.322 -2.021 1.00 0.00 H new ATOM 0 H21 DG A 3 3.759 -5.786 -3.645 1.00 0.00 H new ATOM 0 H22 DG A 3 2.047 -6.185 -3.822 1.00 0.00 H new ATOM 95 P DT A 4 9.698 -3.825 -0.055 1.00 0.00 P ATOM 96 OP1 DT A 4 9.815 -4.985 -0.963 1.00 0.00 O ATOM 97 OP2 DT A 4 10.606 -3.678 1.102 1.00 0.00 O ATOM 98 O5' DT A 4 9.670 -2.464 -0.887 1.00 0.00 O ATOM 99 C5' DT A 4 8.536 -2.109 -1.656 1.00 0.00 C ATOM 100 C4' DT A 4 7.398 -1.420 -0.860 1.00 0.00 C ATOM 101 O4' DT A 4 6.244 -2.253 -0.715 1.00 0.00 O ATOM 102 C3' DT A 4 7.664 -0.929 0.593 1.00 0.00 C ATOM 103 O3' DT A 4 8.953 -0.315 0.774 1.00 0.00 O ATOM 104 C2' DT A 4 6.173 -0.537 0.665 1.00 0.00 C ATOM 105 C1' DT A 4 5.258 -1.414 -0.150 1.00 0.00 C ATOM 106 N1 DT A 4 4.060 -1.919 0.650 1.00 0.00 N ATOM 107 C2 DT A 4 2.981 -2.439 -0.058 1.00 0.00 C ATOM 108 O2 DT A 4 3.046 -2.680 -1.258 1.00 0.00 O ATOM 109 N3 DT A 4 1.809 -2.688 0.628 1.00 0.00 N ATOM 110 C4 DT A 4 1.494 -2.382 1.930 1.00 0.00 C ATOM 111 O4 DT A 4 0.460 -2.814 2.435 1.00 0.00 O ATOM 112 C5 DT A 4 2.450 -1.500 2.727 1.00 0.00 C ATOM 113 C7 DT A 4 2.722 -2.007 4.146 1.00 0.00 C ATOM 114 C6 DT A 4 3.750 -1.232 1.969 1.00 0.00 C ATOM 0 H5' DT A 4 8.138 -3.008 -2.126 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.853 -1.443 -2.459 1.00 0.00 H new ATOM 0 H4' DT A 4 7.277 -0.546 -1.500 1.00 0.00 H new ATOM 0 H3' DT A 4 7.964 -1.382 1.538 1.00 0.00 H new ATOM 0 H2' DT A 4 5.852 -0.567 1.706 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.064 0.494 0.327 1.00 0.00 H new ATOM 0 H1' DT A 4 4.636 -1.004 -0.945 1.00 0.00 H new ATOM 0 H3 DT A 4 1.079 -3.163 0.097 1.00 0.00 H new ATOM 0 H71 DT A 4 3.725 -1.709 4.453 1.00 0.00 H new ATOM 0 H72 DT A 4 1.990 -1.579 4.832 1.00 0.00 H new ATOM 0 H73 DT A 4 2.645 -3.094 4.165 1.00 0.00 H new ATOM 0 H6 DT A 4 4.466 -0.537 2.382 1.00 0.00 H new ATOM 127 P DA A 5 9.767 0.741 -0.182 1.00 0.00 P ATOM 128 OP1 DA A 5 10.972 0.046 -0.681 1.00 0.00 O ATOM 129 OP2 DA A 5 9.922 1.993 0.589 1.00 0.00 O ATOM 130 O5' DA A 5 8.843 1.077 -1.450 1.00 0.00 O ATOM 131 C5' DA A 5 7.728 1.910 -1.280 1.00 0.00 C ATOM 132 C4' DA A 5 6.681 1.671 -2.382 1.00 0.00 C ATOM 133 O4' DA A 5 5.380 1.435 -1.858 1.00 0.00 O ATOM 134 C3' DA A 5 6.634 2.836 -3.336 1.00 0.00 C ATOM 135 O3' DA A 5 6.423 2.472 -4.690 1.00 0.00 O ATOM 136 C2' DA A 5 5.470 3.534 -2.734 1.00 0.00 C ATOM 137 C1' DA A 5 4.534 2.525 -2.158 1.00 0.00 C ATOM 138 N9 DA A 5 3.960 3.078 -0.908 1.00 0.00 N ATOM 139 C8 DA A 5 4.628 3.659 0.136 1.00 0.00 C ATOM 140 N7 DA A 5 3.885 4.085 1.112 1.00 0.00 N ATOM 141 C5 DA A 5 2.609 3.785 0.658 1.00 0.00 C ATOM 142 C6 DA A 5 1.332 4.004 1.192 1.00 0.00 C ATOM 143 N6 DA A 5 1.147 4.428 2.435 1.00 0.00 N ATOM 144 N1 DA A 5 0.273 3.838 0.393 1.00 0.00 N ATOM 145 C2 DA A 5 0.485 3.382 -0.831 1.00 0.00 C ATOM 146 N3 DA A 5 1.608 3.055 -1.436 1.00 0.00 N ATOM 147 C4 DA A 5 2.647 3.280 -0.615 1.00 0.00 C ATOM 0 H5' DA A 5 8.044 2.953 -1.295 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.280 1.727 -0.303 1.00 0.00 H new ATOM 0 H4' DA A 5 6.994 0.772 -2.914 1.00 0.00 H new ATOM 0 H3' DA A 5 7.557 3.409 -3.422 1.00 0.00 H new ATOM 0 H2' DA A 5 5.805 4.221 -1.957 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.959 4.131 -3.489 1.00 0.00 H new ATOM 0 H1' DA A 5 3.709 2.252 -2.816 1.00 0.00 H new ATOM 0 H8 DA A 5 5.704 3.757 0.147 1.00 0.00 H new ATOM 0 H61 DA A 5 0.202 4.576 2.788 1.00 0.00 H new ATOM 0 H62 DA A 5 1.950 4.606 3.038 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.405 3.258 -1.430 1.00 0.00 H new ATOM 159 P DC A 6 6.441 3.570 -5.882 1.00 0.00 P ATOM 160 OP1 DC A 6 6.346 2.844 -7.166 1.00 0.00 O ATOM 161 OP2 DC A 6 7.588 4.470 -5.634 1.00 0.00 O ATOM 162 O5' DC A 6 5.082 4.425 -5.679 1.00 0.00 O ATOM 163 C5' DC A 6 3.818 3.885 -6.011 1.00 0.00 C ATOM 164 C4' DC A 6 2.660 4.756 -5.499 1.00 0.00 C ATOM 165 O4' DC A 6 2.529 4.715 -4.082 1.00 0.00 O ATOM 166 C3' DC A 6 2.741 6.251 -5.876 1.00 0.00 C ATOM 167 O3' DC A 6 1.669 6.545 -6.760 1.00 0.00 O ATOM 168 C2' DC A 6 2.595 6.916 -4.504 1.00 0.00 C ATOM 169 C1' DC A 6 1.793 5.878 -3.746 1.00 0.00 C ATOM 170 N1 DC A 6 1.756 6.220 -2.301 1.00 0.00 N ATOM 171 C2 DC A 6 0.539 6.589 -1.716 1.00 0.00 C ATOM 172 O2 DC A 6 -0.517 6.575 -2.345 1.00 0.00 O ATOM 173 N3 DC A 6 0.513 6.977 -0.412 1.00 0.00 N ATOM 174 C4 DC A 6 1.650 7.060 0.281 1.00 0.00 C ATOM 175 N4 DC A 6 1.595 7.364 1.568 1.00 0.00 N ATOM 176 C5 DC A 6 2.896 6.661 -0.283 1.00 0.00 C ATOM 177 C6 DC A 6 2.909 6.244 -1.562 1.00 0.00 C ATOM 0 H5' DC A 6 3.731 2.884 -5.589 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.742 3.783 -7.094 1.00 0.00 H new ATOM 0 H4' DC A 6 1.802 4.308 -6.001 1.00 0.00 H new ATOM 0 H3' DC A 6 3.643 6.578 -6.393 1.00 0.00 H new ATOM 0 H2' DC A 6 3.561 7.109 -4.037 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.074 7.872 -4.565 1.00 0.00 H new ATOM 0 H1' DC A 6 0.735 5.780 -3.989 1.00 0.00 H new ATOM 0 H41 DC A 6 2.454 7.432 2.113 1.00 0.00 H new ATOM 0 H42 DC A 6 0.693 7.531 2.015 1.00 0.00 H new ATOM 0 H5 DC A 6 3.805 6.692 0.300 1.00 0.00 H new ATOM 0 H6 DC A 6 3.838 5.925 -2.011 1.00 0.00 H new ATOM 189 P DG A 7 1.298 8.043 -7.250 1.00 0.00 P ATOM 190 OP1 DG A 7 0.942 7.971 -8.684 1.00 0.00 O ATOM 191 OP2 DG A 7 2.370 8.961 -6.810 1.00 0.00 O ATOM 192 O5' DG A 7 -0.042 8.378 -6.404 1.00 0.00 O ATOM 193 C5' DG A 7 -1.235 7.662 -6.663 1.00 0.00 C ATOM 194 C4' DG A 7 -2.465 8.162 -5.894 1.00 0.00 C ATOM 195 O4' DG A 7 -2.197 8.143 -4.503 1.00 0.00 O ATOM 196 C3' DG A 7 -2.886 9.591 -6.258 1.00 0.00 C ATOM 197 O3' DG A 7 -4.302 9.670 -6.196 1.00 0.00 O ATOM 198 C2' DG A 7 -2.180 10.375 -5.169 1.00 0.00 C ATOM 199 C1' DG A 7 -2.381 9.444 -3.975 1.00 0.00 C ATOM 200 N9 DG A 7 -1.403 9.678 -2.898 1.00 0.00 N ATOM 201 C8 DG A 7 -0.045 9.795 -3.009 1.00 0.00 C ATOM 202 N7 DG A 7 0.573 9.944 -1.871 1.00 0.00 N ATOM 203 C5 DG A 7 -0.454 9.882 -0.927 1.00 0.00 C ATOM 204 C6 DG A 7 -0.416 9.932 0.500 1.00 0.00 C ATOM 205 O6 DG A 7 0.546 10.155 1.228 1.00 0.00 O ATOM 206 N1 DG A 7 -1.651 9.690 1.082 1.00 0.00 N ATOM 207 C2 DG A 7 -2.817 9.546 0.378 1.00 0.00 C ATOM 208 N2 DG A 7 -3.944 9.366 1.057 1.00 0.00 N ATOM 209 N3 DG A 7 -2.881 9.570 -0.956 1.00 0.00 N ATOM 210 C4 DG A 7 -1.664 9.699 -1.548 1.00 0.00 C ATOM 0 H5' DG A 7 -1.073 6.612 -6.418 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.447 7.711 -7.731 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.277 7.490 -6.170 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.629 9.949 -7.255 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.126 10.538 -5.394 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.627 11.356 -5.009 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.361 9.603 -3.526 1.00 0.00 H new ATOM 0 H8 DG A 7 0.471 9.766 -3.957 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.694 9.614 2.098 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.827 9.256 0.559 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.926 9.338 2.076 1.00 0.00 H new ATOM 222 P DC A 8 -5.123 11.001 -6.605 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.275 10.588 -7.435 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.160 11.994 -7.129 1.00 0.00 O ATOM 225 O5' DC A 8 -5.671 11.535 -5.188 1.00 0.00 O ATOM 226 C5' DC A 8 -6.826 10.971 -4.597 1.00 0.00 C ATOM 227 C4' DC A 8 -6.991 11.482 -3.163 1.00 0.00 C ATOM 228 O4' DC A 8 -5.860 11.139 -2.391 1.00 0.00 O ATOM 229 C3' DC A 8 -7.086 13.000 -3.044 1.00 0.00 C ATOM 230 O3' DC A 8 -8.383 13.476 -3.330 1.00 0.00 O ATOM 231 C2' DC A 8 -6.713 13.201 -1.580 1.00 0.00 C ATOM 232 C1' DC A 8 -5.815 11.996 -1.260 1.00 0.00 C ATOM 233 N1 DC A 8 -4.412 12.412 -0.993 1.00 0.00 N ATOM 234 C2 DC A 8 -4.007 12.585 0.327 1.00 0.00 C ATOM 235 O2 DC A 8 -4.811 12.513 1.252 1.00 0.00 O ATOM 236 N3 DC A 8 -2.695 12.837 0.597 1.00 0.00 N ATOM 237 C4 DC A 8 -1.818 12.968 -0.404 1.00 0.00 C ATOM 238 N4 DC A 8 -0.537 13.130 -0.098 1.00 0.00 N ATOM 239 C5 DC A 8 -2.213 12.854 -1.775 1.00 0.00 C ATOM 240 C6 DC A 8 -3.514 12.571 -2.016 1.00 0.00 C ATOM 0 H5' DC A 8 -6.749 9.884 -4.596 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.707 11.228 -5.186 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.919 11.023 -2.821 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.454 13.543 -3.746 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.187 14.143 -1.427 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.596 13.222 -0.942 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.400 14.452 -3.241 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.171 11.494 -0.360 1.00 0.00 H new ATOM 0 H41 DC A 8 0.156 13.233 -0.840 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.245 13.152 0.879 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.505 12.988 -2.580 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.852 12.468 -3.037 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 1.264 11.994 9.549 1.00 0.00 O ATOM 255 C5' DG B 9 0.215 12.420 10.389 1.00 0.00 C ATOM 256 C4' DG B 9 -1.066 11.596 10.198 1.00 0.00 C ATOM 257 O4' DG B 9 -1.591 11.750 8.889 1.00 0.00 O ATOM 258 C3' DG B 9 -0.883 10.091 10.403 1.00 0.00 C ATOM 259 O3' DG B 9 -2.122 9.634 10.914 1.00 0.00 O ATOM 260 C2' DG B 9 -0.545 9.617 8.985 1.00 0.00 C ATOM 261 C1' DG B 9 -1.331 10.593 8.105 1.00 0.00 C ATOM 262 N9 DG B 9 -0.661 11.026 6.853 1.00 0.00 N ATOM 263 C8 DG B 9 0.675 11.206 6.581 1.00 0.00 C ATOM 264 N7 DG B 9 0.924 11.705 5.404 1.00 0.00 N ATOM 265 C5 DG B 9 -0.337 11.877 4.842 1.00 0.00 C ATOM 266 C6 DG B 9 -0.719 12.364 3.556 1.00 0.00 C ATOM 267 O6 DG B 9 0.000 12.816 2.669 1.00 0.00 O ATOM 268 N1 DG B 9 -2.084 12.291 3.336 1.00 0.00 N ATOM 269 C2 DG B 9 -2.992 11.869 4.277 1.00 0.00 C ATOM 270 N2 DG B 9 -4.279 11.854 3.949 1.00 0.00 N ATOM 271 N3 DG B 9 -2.652 11.442 5.498 1.00 0.00 N ATOM 272 C4 DG B 9 -1.310 11.461 5.718 1.00 0.00 C ATOM 0 H5' DG B 9 -0.000 13.470 10.191 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.536 12.350 11.428 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.738 11.985 10.963 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.116 9.742 11.095 1.00 0.00 H new ATOM 0 H2' DG B 9 0.526 9.666 8.787 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.853 8.585 8.819 1.00 0.00 H new ATOM 0 HO5' DG B 9 0.942 11.940 8.625 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.224 10.058 7.782 1.00 0.00 H new ATOM 0 H8 DG B 9 1.454 10.954 7.286 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.437 12.567 2.420 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.975 11.545 4.628 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.571 12.151 3.018 1.00 0.00 H new ATOM 285 P DC B 10 -2.467 8.087 11.168 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.285 7.990 12.396 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.223 7.296 11.043 1.00 0.00 O ATOM 288 O5' DC B 10 -3.399 7.784 9.895 1.00 0.00 O ATOM 289 C5' DC B 10 -4.681 8.372 9.777 1.00 0.00 C ATOM 290 C4' DC B 10 -5.328 7.996 8.439 1.00 0.00 C ATOM 291 O4' DC B 10 -4.622 8.619 7.369 1.00 0.00 O ATOM 292 C3' DC B 10 -5.304 6.478 8.203 1.00 0.00 C ATOM 293 O3' DC B 10 -6.532 6.119 7.623 1.00 0.00 O ATOM 294 C2' DC B 10 -4.103 6.388 7.266 1.00 0.00 C ATOM 295 C1' DC B 10 -4.262 7.640 6.411 1.00 0.00 C ATOM 296 N1 DC B 10 -3.016 7.996 5.683 1.00 0.00 N ATOM 297 C2 DC B 10 -3.056 8.557 4.408 1.00 0.00 C ATOM 298 O2 DC B 10 -4.124 8.760 3.833 1.00 0.00 O ATOM 299 N3 DC B 10 -1.880 8.889 3.784 1.00 0.00 N ATOM 300 C4 DC B 10 -0.709 8.612 4.379 1.00 0.00 C ATOM 301 N4 DC B 10 0.420 9.011 3.806 1.00 0.00 N ATOM 302 C5 DC B 10 -0.649 7.983 5.658 1.00 0.00 C ATOM 303 C6 DC B 10 -1.816 7.704 6.247 1.00 0.00 C ATOM 0 H5' DC B 10 -4.598 9.456 9.855 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.315 8.041 10.599 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.363 8.335 8.474 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.203 5.815 9.062 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.160 6.386 7.813 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.124 5.479 6.664 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.996 7.523 5.614 1.00 0.00 H new ATOM 0 H41 DC B 10 1.316 8.807 4.248 1.00 0.00 H new ATOM 0 H42 DC B 10 0.391 9.522 2.924 1.00 0.00 H new ATOM 0 H5 DC B 10 0.294 7.744 6.128 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.804 7.225 7.215 1.00 0.00 H new ATOM 315 P DG B 11 -6.970 4.593 7.412 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.193 4.346 8.205 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.784 3.726 7.581 1.00 0.00 O ATOM 318 O5' DG B 11 -7.343 4.643 5.859 1.00 0.00 O ATOM 319 C5' DG B 11 -8.307 5.555 5.378 1.00 0.00 C ATOM 320 C4' DG B 11 -8.427 5.418 3.863 1.00 0.00 C ATOM 321 O4' DG B 11 -7.260 5.940 3.257 1.00 0.00 O ATOM 322 C3' DG B 11 -8.567 3.955 3.441 1.00 0.00 C ATOM 323 O3' DG B 11 -9.555 3.910 2.430 1.00 0.00 O ATOM 324 C2' DG B 11 -7.148 3.590 2.998 1.00 0.00 C ATOM 325 C1' DG B 11 -6.578 4.933 2.534 1.00 0.00 C ATOM 326 N9 DG B 11 -5.136 5.083 2.817 1.00 0.00 N ATOM 327 C8 DG B 11 -4.494 4.892 4.013 1.00 0.00 C ATOM 328 N7 DG B 11 -3.253 5.279 4.025 1.00 0.00 N ATOM 329 C5 DG B 11 -3.040 5.718 2.723 1.00 0.00 C ATOM 330 C6 DG B 11 -1.848 6.182 2.105 1.00 0.00 C ATOM 331 O6 DG B 11 -0.754 6.360 2.626 1.00 0.00 O ATOM 332 N1 DG B 11 -2.001 6.445 0.758 1.00 0.00 N ATOM 333 C2 DG B 11 -3.186 6.325 0.078 1.00 0.00 C ATOM 334 N2 DG B 11 -3.162 6.553 -1.230 1.00 0.00 N ATOM 335 N3 DG B 11 -4.322 5.893 0.646 1.00 0.00 N ATOM 336 C4 DG B 11 -4.180 5.598 1.969 1.00 0.00 C ATOM 0 H5' DG B 11 -8.022 6.574 5.640 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.271 5.363 5.849 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.316 5.963 3.547 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.899 3.243 4.196 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.566 3.165 3.816 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.153 2.854 2.194 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.709 5.002 1.454 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.979 4.456 4.874 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.179 6.748 0.235 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.019 6.476 -1.777 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.286 6.806 -1.688 1.00 0.00 H new ATOM 348 P DT B 12 -10.158 2.528 1.878 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.473 2.811 1.264 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.043 1.508 2.943 1.00 0.00 O ATOM 351 O5' DT B 12 -9.109 2.184 0.721 1.00 0.00 O ATOM 352 C5' DT B 12 -9.078 2.935 -0.474 1.00 0.00 C ATOM 353 C4' DT B 12 -7.860 2.525 -1.298 1.00 0.00 C ATOM 354 O4' DT B 12 -6.654 2.880 -0.660 1.00 0.00 O ATOM 355 C3' DT B 12 -7.767 1.013 -1.508 1.00 0.00 C ATOM 356 O3' DT B 12 -8.505 0.684 -2.668 1.00 0.00 O ATOM 357 C2' DT B 12 -6.251 0.784 -1.586 1.00 0.00 C ATOM 358 C1' DT B 12 -5.639 2.169 -1.339 1.00 0.00 C ATOM 359 N1 DT B 12 -4.397 2.195 -0.531 1.00 0.00 N ATOM 360 C2 DT B 12 -3.395 3.133 -0.736 1.00 0.00 C ATOM 361 O2 DT B 12 -3.322 3.803 -1.760 1.00 0.00 O ATOM 362 N3 DT B 12 -2.467 3.284 0.278 1.00 0.00 N ATOM 363 C4 DT B 12 -2.436 2.602 1.468 1.00 0.00 C ATOM 364 O4 DT B 12 -1.730 2.993 2.392 1.00 0.00 O ATOM 365 C5 DT B 12 -3.290 1.349 1.626 1.00 0.00 C ATOM 366 C7 DT B 12 -4.197 1.387 2.861 1.00 0.00 C ATOM 367 C6 DT B 12 -4.216 1.115 0.451 1.00 0.00 C ATOM 0 H5' DT B 12 -9.035 4.000 -0.246 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.991 2.768 -1.046 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.991 3.045 -2.247 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.193 0.374 -0.735 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.919 0.065 -0.837 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.959 0.389 -2.559 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.330 2.591 -2.295 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.730 3.973 0.126 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.100 0.809 2.667 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.669 0.960 3.714 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.468 2.419 3.082 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.733 0.174 0.336 1.00 0.00 H new ATOM 380 P DA B 13 -8.880 -0.835 -3.050 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.935 -0.795 -4.084 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.107 -1.586 -1.796 1.00 0.00 O ATOM 383 O5' DA B 13 -7.528 -1.369 -3.721 1.00 0.00 O ATOM 384 C5' DA B 13 -7.004 -0.753 -4.878 1.00 0.00 C ATOM 385 C4' DA B 13 -5.718 -1.471 -5.277 1.00 0.00 C ATOM 386 O4' DA B 13 -4.797 -1.468 -4.206 1.00 0.00 O ATOM 387 C3' DA B 13 -5.989 -2.926 -5.666 1.00 0.00 C ATOM 388 O3' DA B 13 -5.246 -3.240 -6.825 1.00 0.00 O ATOM 389 C2' DA B 13 -5.467 -3.648 -4.434 1.00 0.00 C ATOM 390 C1' DA B 13 -4.277 -2.770 -4.046 1.00 0.00 C ATOM 391 N9 DA B 13 -3.888 -2.979 -2.639 1.00 0.00 N ATOM 392 C8 DA B 13 -4.708 -2.888 -1.550 1.00 0.00 C ATOM 393 N7 DA B 13 -4.173 -3.320 -0.442 1.00 0.00 N ATOM 394 C5 DA B 13 -2.846 -3.538 -0.803 1.00 0.00 C ATOM 395 C6 DA B 13 -1.696 -3.828 -0.050 1.00 0.00 C ATOM 396 N6 DA B 13 -1.734 -4.134 1.244 1.00 0.00 N ATOM 397 N1 DA B 13 -0.498 -3.652 -0.615 1.00 0.00 N ATOM 398 C2 DA B 13 -0.428 -3.341 -1.899 1.00 0.00 C ATOM 399 N3 DA B 13 -1.430 -3.142 -2.754 1.00 0.00 N ATOM 400 C4 DA B 13 -2.635 -3.232 -2.124 1.00 0.00 C ATOM 0 H5' DA B 13 -6.804 0.301 -4.687 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.729 -0.798 -5.691 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.307 -0.936 -6.133 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.022 -3.176 -5.907 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.214 -3.700 -3.642 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.166 -4.672 -4.656 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.386 -2.979 -4.638 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.712 -2.493 -1.602 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.869 -4.337 1.746 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.628 -4.166 1.734 1.00 0.00 H new ATOM 0 H2 DA B 13 0.567 -3.235 -2.305 1.00 0.00 H new ATOM 412 P DC B 14 -5.588 -4.528 -7.728 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.977 -4.371 -8.209 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.219 -5.746 -6.975 1.00 0.00 O ATOM 415 O5' DC B 14 -4.599 -4.387 -8.993 1.00 0.00 O ATOM 416 C5' DC B 14 -3.269 -3.911 -8.881 1.00 0.00 C ATOM 417 C4' DC B 14 -2.316 -4.804 -8.074 1.00 0.00 C ATOM 418 O4' DC B 14 -2.505 -4.738 -6.669 1.00 0.00 O ATOM 419 C3' DC B 14 -2.373 -6.298 -8.430 1.00 0.00 C ATOM 420 O3' DC B 14 -1.368 -6.593 -9.378 1.00 0.00 O ATOM 421 C2' DC B 14 -2.173 -6.959 -7.061 1.00 0.00 C ATOM 422 C1' DC B 14 -1.731 -5.813 -6.164 1.00 0.00 C ATOM 423 N1 DC B 14 -1.963 -6.131 -4.726 1.00 0.00 N ATOM 424 C2 DC B 14 -0.865 -6.254 -3.882 1.00 0.00 C ATOM 425 O2 DC B 14 0.284 -6.131 -4.295 1.00 0.00 O ATOM 426 N3 DC B 14 -1.062 -6.517 -2.563 1.00 0.00 N ATOM 427 C4 DC B 14 -2.291 -6.739 -2.092 1.00 0.00 C ATOM 428 N4 DC B 14 -2.442 -6.938 -0.790 1.00 0.00 N ATOM 429 C5 DC B 14 -3.435 -6.696 -2.944 1.00 0.00 C ATOM 430 C6 DC B 14 -3.216 -6.401 -4.244 1.00 0.00 C ATOM 0 H5' DC B 14 -3.292 -2.924 -8.420 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.860 -3.785 -9.884 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.351 -4.384 -8.358 1.00 0.00 H new ATOM 0 H3' DC B 14 -3.291 -6.645 -8.904 1.00 0.00 H new ATOM 0 H2' DC B 14 -3.094 -7.417 -6.700 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.421 -7.747 -7.103 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.664 -5.589 -6.184 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.371 -7.110 -0.405 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.629 -6.919 -0.174 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.428 -6.890 -2.567 1.00 0.00 H new ATOM 0 H6 DC B 14 -4.055 -6.377 -4.924 1.00 0.00 H new ATOM 442 P DG B 15 -1.029 -8.104 -9.822 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.527 -8.071 -11.212 1.00 0.00 O ATOM 444 OP2 DG B 15 -2.182 -8.963 -9.477 1.00 0.00 O ATOM 445 O5' DG B 15 0.193 -8.462 -8.828 1.00 0.00 O ATOM 446 C5' DG B 15 1.442 -7.822 -8.982 1.00 0.00 C ATOM 447 C4' DG B 15 2.623 -8.381 -8.175 1.00 0.00 C ATOM 448 O4' DG B 15 2.366 -8.131 -6.808 1.00 0.00 O ATOM 449 C3' DG B 15 2.865 -9.896 -8.349 1.00 0.00 C ATOM 450 O3' DG B 15 4.233 -10.201 -8.136 1.00 0.00 O ATOM 451 C2' DG B 15 1.944 -10.371 -7.247 1.00 0.00 C ATOM 452 C1' DG B 15 2.330 -9.378 -6.160 1.00 0.00 C ATOM 453 N9 DG B 15 1.379 -9.390 -5.050 1.00 0.00 N ATOM 454 C8 DG B 15 0.058 -9.673 -5.120 1.00 0.00 C ATOM 455 N7 DG B 15 -0.555 -9.661 -3.966 1.00 0.00 N ATOM 456 C5 DG B 15 0.471 -9.382 -3.055 1.00 0.00 C ATOM 457 C6 DG B 15 0.481 -9.315 -1.625 1.00 0.00 C ATOM 458 O6 DG B 15 -0.469 -9.377 -0.849 1.00 0.00 O ATOM 459 N1 DG B 15 1.760 -9.162 -1.102 1.00 0.00 N ATOM 460 C2 DG B 15 2.898 -9.066 -1.864 1.00 0.00 C ATOM 461 N2 DG B 15 4.075 -8.976 -1.263 1.00 0.00 N ATOM 462 N3 DG B 15 2.904 -9.111 -3.193 1.00 0.00 N ATOM 463 C4 DG B 15 1.665 -9.260 -3.721 1.00 0.00 C ATOM 0 H5' DG B 15 1.318 -6.772 -8.716 1.00 0.00 H new ATOM 0 H5'' DG B 15 1.710 -7.854 -10.038 1.00 0.00 H new ATOM 0 H4' DG B 15 3.519 -7.884 -8.546 1.00 0.00 H new ATOM 0 H3' DG B 15 2.669 -10.341 -9.325 1.00 0.00 H new ATOM 0 H2' DG B 15 0.891 -10.305 -7.522 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.133 -11.405 -6.958 1.00 0.00 H new ATOM 0 H1' DG B 15 3.290 -9.625 -5.706 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.447 -9.890 -6.050 1.00 0.00 H new ATOM 0 H1 DG B 15 1.859 -9.118 -0.088 1.00 0.00 H new ATOM 0 H21 DG B 15 4.927 -8.904 -1.819 1.00 0.00 H new ATOM 0 H22 DG B 15 4.129 -8.978 -0.244 1.00 0.00 H new ATOM 475 P DC B 16 4.809 -11.707 -8.242 1.00 0.00 P ATOM 476 OP1 DC B 16 6.002 -11.678 -9.114 1.00 0.00 O ATOM 477 OP2 DC B 16 3.683 -12.609 -8.571 1.00 0.00 O ATOM 478 O5' DC B 16 5.278 -12.026 -6.734 1.00 0.00 O ATOM 479 C5' DC B 16 6.455 -11.447 -6.205 1.00 0.00 C ATOM 480 C4' DC B 16 6.616 -11.789 -4.724 1.00 0.00 C ATOM 481 O4' DC B 16 5.552 -11.220 -3.996 1.00 0.00 O ATOM 482 C3' DC B 16 6.568 -13.279 -4.400 1.00 0.00 C ATOM 483 O3' DC B 16 7.808 -13.913 -4.624 1.00 0.00 O ATOM 484 C2' DC B 16 6.205 -13.234 -2.921 1.00 0.00 C ATOM 485 C1' DC B 16 5.406 -11.931 -2.778 1.00 0.00 C ATOM 486 N1 DC B 16 3.964 -12.193 -2.521 1.00 0.00 N ATOM 487 C2 DC B 16 3.528 -12.254 -1.200 1.00 0.00 C ATOM 488 O2 DC B 16 4.321 -12.180 -0.264 1.00 0.00 O ATOM 489 N3 DC B 16 2.199 -12.398 -0.941 1.00 0.00 N ATOM 490 C4 DC B 16 1.328 -12.514 -1.950 1.00 0.00 C ATOM 491 N4 DC B 16 0.035 -12.564 -1.663 1.00 0.00 N ATOM 492 C5 DC B 16 1.748 -12.493 -3.318 1.00 0.00 C ATOM 493 C6 DC B 16 3.070 -12.326 -3.553 1.00 0.00 C ATOM 0 H5' DC B 16 6.420 -10.365 -6.330 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.322 -11.804 -6.761 1.00 0.00 H new ATOM 0 H4' DC B 16 7.601 -11.404 -4.459 1.00 0.00 H new ATOM 0 H3' DC B 16 5.876 -13.852 -5.017 1.00 0.00 H new ATOM 0 H2' DC B 16 5.612 -14.101 -2.628 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.094 -13.229 -2.291 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.733 -14.865 -4.403 1.00 0.00 H new ATOM 0 H1' DC B 16 5.783 -11.361 -1.929 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.651 -12.652 -2.413 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.274 -12.514 -0.692 1.00 0.00 H new ATOM 0 H5 DC B 16 1.041 -12.605 -4.127 1.00 0.00 H new ATOM 0 H6 DC B 16 3.428 -12.297 -4.572 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.438 0.142 -1.419 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.689 0.051 -1.336 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.442 -0.096 -0.025 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.611 0.023 1.215 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.372 0.268 2.036 1.00 0.00 C HETATM 512 C6 PSO B 1 1.014 0.403 1.820 1.00 0.00 C HETATM 513 C7 PSO B 1 1.507 0.427 0.565 1.00 0.00 C HETATM 514 C8 PSO B 1 0.649 0.188 -0.513 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.750 0.199 -0.348 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.249 0.177 0.947 1.00 0.00 C HETATM 517 C4' PSO B 1 2.120 0.012 2.747 1.00 0.00 C HETATM 518 C5' PSO B 1 3.292 0.229 1.802 1.00 0.00 C HETATM 519 O6' PSO B 1 2.765 0.434 0.484 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.334 0.081 -2.378 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.909 -1.044 2.280 1.00 0.00 C HETATM 522 C13 PSO B 1 2.150 0.760 4.089 1.00 0.00 C HETATM 523 O14 PSO B 1 1.812 2.128 4.026 1.00 0.00 O HETATM 524 C15 PSO B 1 4.135 1.366 2.358 1.00 0.00 C HETATM 525 C16 PSO B 1 1.222 -0.096 -1.871 1.00 0.00 C HETATM 0 H163 PSO B 1 1.827 0.751 -2.195 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.845 -0.989 -1.824 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.411 -0.256 -2.582 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.530 2.270 2.422 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.496 1.099 3.351 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.985 1.545 1.699 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.465 0.265 4.777 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.150 0.669 4.514 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.952 -0.970 2.587 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.722 -2.034 1.865 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.264 -0.885 3.144 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.763 0.234 3.053 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.857 2.518 4.924 1.00 0.00 H new