USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.3 (180deg=-1.3) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.635 (180deg=-1.06) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 39:sc= 0.0115 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.371 (180deg=-0.371) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.514 -14.171 0.309 1.00 0.00 O ATOM 2 C5' DC A 1 7.812 -15.140 -0.674 1.00 0.00 C ATOM 3 C4' DC A 1 6.918 -14.972 -1.909 1.00 0.00 C ATOM 4 O4' DC A 1 5.577 -15.150 -1.482 1.00 0.00 O ATOM 5 C3' DC A 1 7.029 -13.567 -2.520 1.00 0.00 C ATOM 6 O3' DC A 1 7.119 -13.696 -3.929 1.00 0.00 O ATOM 7 C2' DC A 1 5.717 -12.919 -2.082 1.00 0.00 C ATOM 8 C1' DC A 1 4.791 -14.131 -2.069 1.00 0.00 C ATOM 9 N1 DC A 1 3.582 -13.930 -1.221 1.00 0.00 N ATOM 10 C2 DC A 1 2.321 -13.956 -1.823 1.00 0.00 C ATOM 11 O2 DC A 1 2.196 -14.075 -3.039 1.00 0.00 O ATOM 12 N3 DC A 1 1.216 -13.846 -1.029 1.00 0.00 N ATOM 13 C4 DC A 1 1.328 -13.674 0.296 1.00 0.00 C ATOM 14 N4 DC A 1 0.215 -13.575 1.030 1.00 0.00 N ATOM 15 C5 DC A 1 2.613 -13.621 0.934 1.00 0.00 C ATOM 16 C6 DC A 1 3.700 -13.757 0.138 1.00 0.00 C ATOM 0 H5' DC A 1 7.677 -16.138 -0.257 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.859 -15.056 -0.966 1.00 0.00 H new ATOM 0 H4' DC A 1 7.227 -15.696 -2.663 1.00 0.00 H new ATOM 0 H3' DC A 1 7.897 -12.985 -2.210 1.00 0.00 H new ATOM 0 H2' DC A 1 5.795 -12.448 -1.102 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.383 -12.151 -2.779 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.097 -14.303 1.085 1.00 0.00 H new ATOM 0 H1' DC A 1 4.429 -14.346 -3.074 1.00 0.00 H new ATOM 0 H41 DC A 1 0.280 -13.444 2.039 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.699 -13.631 0.580 1.00 0.00 H new ATOM 0 H5 DC A 1 2.708 -13.479 2.000 1.00 0.00 H new ATOM 0 H6 DC A 1 4.684 -13.729 0.582 1.00 0.00 H new ATOM 29 P DG A 2 7.355 -12.425 -4.901 1.00 0.00 P ATOM 30 OP1 DG A 2 8.125 -12.888 -6.076 1.00 0.00 O ATOM 31 OP2 DG A 2 7.868 -11.302 -4.086 1.00 0.00 O ATOM 32 O5' DG A 2 5.864 -12.044 -5.389 1.00 0.00 O ATOM 33 C5' DG A 2 5.189 -12.804 -6.375 1.00 0.00 C ATOM 34 C4' DG A 2 3.860 -12.144 -6.760 1.00 0.00 C ATOM 35 O4' DG A 2 2.976 -12.242 -5.655 1.00 0.00 O ATOM 36 C3' DG A 2 4.025 -10.653 -7.097 1.00 0.00 C ATOM 37 O3' DG A 2 3.236 -10.411 -8.251 1.00 0.00 O ATOM 38 C2' DG A 2 3.465 -10.009 -5.830 1.00 0.00 C ATOM 39 C1' DG A 2 2.374 -10.976 -5.486 1.00 0.00 C ATOM 40 N9 DG A 2 1.819 -10.881 -4.123 1.00 0.00 N ATOM 41 C8 DG A 2 2.467 -10.623 -2.947 1.00 0.00 C ATOM 42 N7 DG A 2 1.711 -10.722 -1.889 1.00 0.00 N ATOM 43 C5 DG A 2 0.457 -11.036 -2.406 1.00 0.00 C ATOM 44 C6 DG A 2 -0.791 -11.240 -1.742 1.00 0.00 C ATOM 45 O6 DG A 2 -1.004 -11.294 -0.535 1.00 0.00 O ATOM 46 N1 DG A 2 -1.852 -11.389 -2.632 1.00 0.00 N ATOM 47 C2 DG A 2 -1.720 -11.387 -4.009 1.00 0.00 C ATOM 48 N2 DG A 2 -2.832 -11.529 -4.736 1.00 0.00 N ATOM 49 N3 DG A 2 -0.540 -11.254 -4.634 1.00 0.00 N ATOM 50 C4 DG A 2 0.504 -11.078 -3.778 1.00 0.00 C ATOM 0 H5' DG A 2 5.004 -13.811 -6.001 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.820 -12.903 -7.258 1.00 0.00 H new ATOM 0 H4' DG A 2 3.478 -12.656 -7.643 1.00 0.00 H new ATOM 0 H3' DG A 2 5.026 -10.286 -7.325 1.00 0.00 H new ATOM 0 H2' DG A 2 4.213 -9.931 -5.041 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.085 -9.003 -6.010 1.00 0.00 H new ATOM 0 H1' DG A 2 1.513 -10.770 -6.122 1.00 0.00 H new ATOM 0 H8 DG A 2 3.513 -10.360 -2.899 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.787 -11.507 -2.243 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.778 -11.533 -5.755 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.734 -11.634 -4.272 1.00 0.00 H new ATOM 62 P DC A 3 3.003 -8.947 -8.894 1.00 0.00 P ATOM 63 OP1 DC A 3 3.211 -9.049 -10.356 1.00 0.00 O ATOM 64 OP2 DC A 3 3.758 -7.942 -8.113 1.00 0.00 O ATOM 65 O5' DC A 3 1.427 -8.730 -8.619 1.00 0.00 O ATOM 66 C5' DC A 3 0.462 -9.576 -9.220 1.00 0.00 C ATOM 67 C4' DC A 3 -0.970 -9.107 -8.936 1.00 0.00 C ATOM 68 O4' DC A 3 -1.204 -9.217 -7.542 1.00 0.00 O ATOM 69 C3' DC A 3 -1.180 -7.644 -9.335 1.00 0.00 C ATOM 70 O3' DC A 3 -2.465 -7.552 -9.931 1.00 0.00 O ATOM 71 C2' DC A 3 -1.097 -6.929 -7.987 1.00 0.00 C ATOM 72 C1' DC A 3 -1.692 -7.981 -7.049 1.00 0.00 C ATOM 73 N1 DC A 3 -1.225 -7.910 -5.635 1.00 0.00 N ATOM 74 C2 DC A 3 -2.139 -8.158 -4.605 1.00 0.00 C ATOM 75 O2 DC A 3 -3.327 -8.365 -4.842 1.00 0.00 O ATOM 76 N3 DC A 3 -1.690 -8.167 -3.316 1.00 0.00 N ATOM 77 C4 DC A 3 -0.396 -7.957 -3.036 1.00 0.00 C ATOM 78 N4 DC A 3 0.000 -7.971 -1.760 1.00 0.00 N ATOM 79 C5 DC A 3 0.571 -7.772 -4.078 1.00 0.00 C ATOM 80 C6 DC A 3 0.110 -7.758 -5.350 1.00 0.00 C ATOM 0 H5' DC A 3 0.591 -10.593 -8.849 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.627 -9.606 -10.297 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.653 -9.726 -9.517 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.473 -7.225 -10.051 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.071 -6.674 -7.720 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.669 -6.001 -7.979 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.773 -7.840 -7.036 1.00 0.00 H new ATOM 0 H41 DC A 3 0.981 -7.813 -1.529 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.679 -8.140 -1.017 1.00 0.00 H new ATOM 0 H5 DC A 3 1.621 -7.649 -3.857 1.00 0.00 H new ATOM 0 H6 DC A 3 0.810 -7.624 -6.162 1.00 0.00 H new ATOM 92 P DA A 4 -3.096 -6.157 -10.449 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.050 -6.458 -11.539 1.00 0.00 O ATOM 94 OP2 DA A 4 -1.995 -5.195 -10.678 1.00 0.00 O ATOM 95 O5' DA A 4 -3.936 -5.668 -9.161 1.00 0.00 O ATOM 96 C5' DA A 4 -5.147 -6.301 -8.794 1.00 0.00 C ATOM 97 C4' DA A 4 -5.705 -5.681 -7.512 1.00 0.00 C ATOM 98 O4' DA A 4 -4.943 -6.054 -6.388 1.00 0.00 O ATOM 99 C3' DA A 4 -5.881 -4.163 -7.553 1.00 0.00 C ATOM 100 O3' DA A 4 -7.251 -3.810 -7.395 1.00 0.00 O ATOM 101 C2' DA A 4 -5.047 -3.847 -6.354 1.00 0.00 C ATOM 102 C1' DA A 4 -5.172 -5.036 -5.445 1.00 0.00 C ATOM 103 N9 DA A 4 -4.069 -5.095 -4.491 1.00 0.00 N ATOM 104 C8 DA A 4 -2.760 -5.022 -4.824 1.00 0.00 C ATOM 105 N7 DA A 4 -1.935 -5.080 -3.817 1.00 0.00 N ATOM 106 C5 DA A 4 -2.791 -5.220 -2.725 1.00 0.00 C ATOM 107 C6 DA A 4 -2.568 -5.355 -1.341 1.00 0.00 C ATOM 108 N6 DA A 4 -1.345 -5.396 -0.805 1.00 0.00 N ATOM 109 N1 DA A 4 -3.637 -5.455 -0.529 1.00 0.00 N ATOM 110 C2 DA A 4 -4.860 -5.433 -1.053 1.00 0.00 C ATOM 111 N3 DA A 4 -5.203 -5.326 -2.333 1.00 0.00 N ATOM 112 C4 DA A 4 -4.105 -5.225 -3.128 1.00 0.00 C ATOM 0 H5' DA A 4 -4.977 -7.367 -8.646 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.875 -6.203 -9.600 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.711 -6.092 -7.427 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.599 -3.643 -8.469 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.008 -3.676 -6.634 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.397 -2.940 -5.862 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.098 -5.061 -4.870 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.424 -4.923 -5.846 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.233 -5.495 0.204 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.523 -5.328 -1.405 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.676 -5.512 -0.350 1.00 0.00 H new ATOM 124 P DT A 5 -7.755 -2.278 -7.197 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.138 -2.184 -7.716 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.712 -1.372 -7.727 1.00 0.00 O ATOM 127 O5' DT A 5 -7.809 -2.092 -5.587 1.00 0.00 O ATOM 128 C5' DT A 5 -8.793 -2.749 -4.810 1.00 0.00 C ATOM 129 C4' DT A 5 -8.654 -2.461 -3.308 1.00 0.00 C ATOM 130 O4' DT A 5 -7.431 -2.952 -2.828 1.00 0.00 O ATOM 131 C3' DT A 5 -8.788 -0.989 -2.895 1.00 0.00 C ATOM 132 O3' DT A 5 -9.909 -0.889 -2.026 1.00 0.00 O ATOM 133 C2' DT A 5 -7.472 -0.712 -2.178 1.00 0.00 C ATOM 134 C1' DT A 5 -7.020 -2.109 -1.772 1.00 0.00 C ATOM 135 N1 DT A 5 -5.548 -2.162 -1.809 1.00 0.00 N ATOM 136 C2 DT A 5 -4.843 -2.299 -0.625 1.00 0.00 C ATOM 137 O2 DT A 5 -5.378 -2.573 0.445 1.00 0.00 O ATOM 138 N3 DT A 5 -3.476 -2.100 -0.719 1.00 0.00 N ATOM 139 C4 DT A 5 -2.749 -1.975 -1.893 1.00 0.00 C ATOM 140 O4 DT A 5 -1.520 -1.955 -1.845 1.00 0.00 O ATOM 141 C5 DT A 5 -3.565 -1.876 -3.096 1.00 0.00 C ATOM 142 C7 DT A 5 -2.882 -1.693 -4.439 1.00 0.00 C ATOM 143 C6 DT A 5 -4.922 -1.952 -3.009 1.00 0.00 C ATOM 0 H5' DT A 5 -8.724 -3.824 -4.977 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.782 -2.437 -5.145 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.503 -2.977 -2.859 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.951 -0.281 -3.708 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.748 -0.225 -2.831 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.609 -0.062 -1.314 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.409 -2.378 -0.790 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.956 -2.040 0.156 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.489 -2.150 -5.221 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.765 -0.629 -4.646 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.901 -2.169 -4.416 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.516 -1.845 -3.904 1.00 0.00 H new ATOM 156 P DA A 6 -10.356 0.485 -1.297 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.752 0.318 -0.832 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.012 1.615 -2.188 1.00 0.00 O ATOM 159 O5' DA A 6 -9.402 0.566 0.008 1.00 0.00 O ATOM 160 C5' DA A 6 -9.469 -0.388 1.054 1.00 0.00 C ATOM 161 C4' DA A 6 -8.462 -0.065 2.172 1.00 0.00 C ATOM 162 O4' DA A 6 -7.182 -0.539 1.793 1.00 0.00 O ATOM 163 C3' DA A 6 -8.331 1.435 2.502 1.00 0.00 C ATOM 164 O3' DA A 6 -8.991 1.727 3.723 1.00 0.00 O ATOM 165 C2' DA A 6 -6.830 1.535 2.577 1.00 0.00 C ATOM 166 C1' DA A 6 -6.240 0.168 2.575 1.00 0.00 C ATOM 167 N9 DA A 6 -4.962 0.267 1.834 1.00 0.00 N ATOM 168 C8 DA A 6 -4.840 0.500 0.502 1.00 0.00 C ATOM 169 N7 DA A 6 -3.636 0.649 0.045 1.00 0.00 N ATOM 170 C5 DA A 6 -2.883 0.499 1.192 1.00 0.00 C ATOM 171 C6 DA A 6 -1.499 0.422 1.396 1.00 0.00 C ATOM 172 N6 DA A 6 -0.634 0.387 0.378 1.00 0.00 N ATOM 173 N1 DA A 6 -1.057 0.302 2.659 1.00 0.00 N ATOM 174 C2 DA A 6 -1.947 0.260 3.648 1.00 0.00 C ATOM 175 N3 DA A 6 -3.272 0.286 3.590 1.00 0.00 N ATOM 176 C4 DA A 6 -3.684 0.390 2.305 1.00 0.00 C ATOM 0 H5' DA A 6 -9.267 -1.382 0.656 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.478 -0.409 1.466 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.845 -0.556 3.066 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.780 2.140 1.802 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.450 2.108 1.731 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.535 2.068 3.481 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.055 -0.282 3.551 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.703 0.558 -0.145 1.00 0.00 H new ATOM 0 H61 DA A 6 0.368 0.331 0.562 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.976 0.416 -0.583 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.530 0.195 4.642 1.00 0.00 H new ATOM 188 P DT A 7 -8.981 3.198 4.402 1.00 0.00 P ATOM 189 OP1 DT A 7 -9.986 3.204 5.488 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.058 4.211 3.327 1.00 0.00 O ATOM 191 O5' DT A 7 -7.519 3.301 5.079 1.00 0.00 O ATOM 192 C5' DT A 7 -7.072 2.344 6.023 1.00 0.00 C ATOM 193 C4' DT A 7 -5.621 2.611 6.437 1.00 0.00 C ATOM 194 O4' DT A 7 -4.792 2.389 5.305 1.00 0.00 O ATOM 195 C3' DT A 7 -5.421 4.063 6.887 1.00 0.00 C ATOM 196 O3' DT A 7 -4.837 4.071 8.180 1.00 0.00 O ATOM 197 C2' DT A 7 -4.486 4.607 5.811 1.00 0.00 C ATOM 198 C1' DT A 7 -3.763 3.359 5.315 1.00 0.00 C ATOM 199 N1 DT A 7 -3.232 3.526 3.945 1.00 0.00 N ATOM 200 C2 DT A 7 -1.862 3.387 3.717 1.00 0.00 C ATOM 201 O2 DT A 7 -1.034 3.230 4.611 1.00 0.00 O ATOM 202 N3 DT A 7 -1.458 3.435 2.392 1.00 0.00 N ATOM 203 C4 DT A 7 -2.281 3.647 1.297 1.00 0.00 C ATOM 204 O4 DT A 7 -1.794 3.653 0.168 1.00 0.00 O ATOM 205 C5 DT A 7 -3.685 3.845 1.634 1.00 0.00 C ATOM 206 C7 DT A 7 -4.707 4.096 0.549 1.00 0.00 C ATOM 207 C6 DT A 7 -4.100 3.778 2.921 1.00 0.00 C ATOM 0 H5' DT A 7 -7.154 1.344 5.597 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.715 2.369 6.903 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.371 1.950 7.267 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.330 4.658 6.976 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.037 5.098 5.009 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.790 5.342 6.216 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.903 3.109 5.936 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.464 3.302 2.206 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.232 4.609 -0.287 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.115 3.145 0.207 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.512 4.715 0.944 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.146 3.928 3.144 1.00 0.00 H new ATOM 220 P DA A 8 -4.588 5.438 9.009 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.582 5.106 10.452 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.509 6.478 8.499 1.00 0.00 O ATOM 223 O5' DA A 8 -3.088 5.844 8.579 1.00 0.00 O ATOM 224 C5' DA A 8 -1.969 5.141 9.082 1.00 0.00 C ATOM 225 C4' DA A 8 -0.674 5.681 8.474 1.00 0.00 C ATOM 226 O4' DA A 8 -0.604 5.333 7.103 1.00 0.00 O ATOM 227 C3' DA A 8 -0.535 7.208 8.573 1.00 0.00 C ATOM 228 O3' DA A 8 0.664 7.518 9.267 1.00 0.00 O ATOM 229 C2' DA A 8 -0.511 7.581 7.117 1.00 0.00 C ATOM 230 C1' DA A 8 0.111 6.379 6.484 1.00 0.00 C ATOM 231 N9 DA A 8 -0.119 6.356 5.034 1.00 0.00 N ATOM 232 C8 DA A 8 -1.301 6.554 4.384 1.00 0.00 C ATOM 233 N7 DA A 8 -1.234 6.438 3.087 1.00 0.00 N ATOM 234 C5 DA A 8 0.113 6.164 2.864 1.00 0.00 C ATOM 235 C6 DA A 8 0.864 5.901 1.701 1.00 0.00 C ATOM 236 N6 DA A 8 0.317 5.776 0.484 1.00 0.00 N ATOM 237 N1 DA A 8 2.196 5.749 1.829 1.00 0.00 N ATOM 238 C2 DA A 8 2.751 5.815 3.038 1.00 0.00 C ATOM 239 N3 DA A 8 2.151 6.002 4.207 1.00 0.00 N ATOM 240 C4 DA A 8 0.811 6.169 4.047 1.00 0.00 C ATOM 0 H5' DA A 8 -2.068 4.079 8.855 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.933 5.233 10.168 1.00 0.00 H new ATOM 0 H4' DA A 8 0.133 5.230 9.052 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.312 7.740 9.122 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.512 7.771 6.730 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.075 8.482 6.939 1.00 0.00 H new ATOM 0 H1' DA A 8 1.193 6.332 6.609 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.219 6.788 4.902 1.00 0.00 H new ATOM 0 H61 DA A 8 0.909 5.585 -0.324 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.692 5.872 0.366 1.00 0.00 H new ATOM 0 H2 DA A 8 3.825 5.702 3.071 1.00 0.00 H new ATOM 252 P DG A 9 1.122 9.035 9.598 1.00 0.00 P ATOM 253 OP1 DG A 9 1.529 9.095 11.019 1.00 0.00 O ATOM 254 OP2 DG A 9 0.097 9.973 9.088 1.00 0.00 O ATOM 255 O5' DG A 9 2.441 9.200 8.684 1.00 0.00 O ATOM 256 C5' DG A 9 3.601 8.431 8.932 1.00 0.00 C ATOM 257 C4' DG A 9 4.809 8.924 8.126 1.00 0.00 C ATOM 258 O4' DG A 9 4.574 8.705 6.744 1.00 0.00 O ATOM 259 C3' DG A 9 5.075 10.418 8.310 1.00 0.00 C ATOM 260 O3' DG A 9 6.488 10.549 8.245 1.00 0.00 O ATOM 261 C2' DG A 9 4.312 11.028 7.136 1.00 0.00 C ATOM 262 C1' DG A 9 4.441 9.945 6.066 1.00 0.00 C ATOM 263 N9 DG A 9 3.295 9.757 5.147 1.00 0.00 N ATOM 264 C8 DG A 9 1.954 9.978 5.344 1.00 0.00 C ATOM 265 N7 DG A 9 1.219 9.747 4.290 1.00 0.00 N ATOM 266 C5 DG A 9 2.132 9.341 3.322 1.00 0.00 C ATOM 267 C6 DG A 9 1.941 9.018 1.942 1.00 0.00 C ATOM 268 O6 DG A 9 0.887 8.972 1.314 1.00 0.00 O ATOM 269 N1 DG A 9 3.138 8.731 1.287 1.00 0.00 N ATOM 270 C2 DG A 9 4.375 8.709 1.900 1.00 0.00 C ATOM 271 N2 DG A 9 5.434 8.431 1.134 1.00 0.00 N ATOM 272 N3 DG A 9 4.555 8.996 3.198 1.00 0.00 N ATOM 273 C4 DG A 9 3.400 9.311 3.849 1.00 0.00 C ATOM 0 H5' DG A 9 3.403 7.388 8.684 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.837 8.467 9.995 1.00 0.00 H new ATOM 0 H4' DG A 9 5.673 8.368 8.490 1.00 0.00 H new ATOM 0 H3' DG A 9 4.757 10.899 9.235 1.00 0.00 H new ATOM 0 H2' DG A 9 3.271 11.229 7.388 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.750 11.973 6.813 1.00 0.00 H new ATOM 0 H1' DG A 9 5.283 10.266 5.452 1.00 0.00 H new ATOM 0 H8 DG A 9 1.544 10.313 6.286 1.00 0.00 H new ATOM 0 H1 DG A 9 3.097 8.524 0.289 1.00 0.00 H new ATOM 0 H21 DG A 9 6.367 8.404 1.545 1.00 0.00 H new ATOM 0 H22 DG A 9 5.309 8.246 0.139 1.00 0.00 H new ATOM 285 P DC A 10 7.279 11.949 8.100 1.00 0.00 P ATOM 286 OP1 DC A 10 8.544 11.842 8.860 1.00 0.00 O ATOM 287 OP2 DC A 10 6.351 13.070 8.370 1.00 0.00 O ATOM 288 O5' DC A 10 7.633 11.929 6.523 1.00 0.00 O ATOM 289 C5' DC A 10 8.431 10.890 5.977 1.00 0.00 C ATOM 290 C4' DC A 10 8.757 11.092 4.490 1.00 0.00 C ATOM 291 O4' DC A 10 7.573 10.748 3.804 1.00 0.00 O ATOM 292 C3' DC A 10 9.118 12.532 4.096 1.00 0.00 C ATOM 293 O3' DC A 10 10.517 12.715 3.927 1.00 0.00 O ATOM 294 C2' DC A 10 8.392 12.695 2.768 1.00 0.00 C ATOM 295 C1' DC A 10 7.489 11.493 2.610 1.00 0.00 C ATOM 296 N1 DC A 10 6.072 11.893 2.430 1.00 0.00 N ATOM 297 C2 DC A 10 5.530 11.871 1.146 1.00 0.00 C ATOM 298 O2 DC A 10 6.252 11.708 0.165 1.00 0.00 O ATOM 299 N3 DC A 10 4.182 12.035 1.002 1.00 0.00 N ATOM 300 C4 DC A 10 3.395 12.230 2.072 1.00 0.00 C ATOM 301 N4 DC A 10 2.074 12.339 1.894 1.00 0.00 N ATOM 302 C5 DC A 10 3.947 12.296 3.396 1.00 0.00 C ATOM 303 C6 DC A 10 5.280 12.142 3.521 1.00 0.00 C ATOM 0 H5' DC A 10 7.913 9.939 6.102 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.362 10.822 6.540 1.00 0.00 H new ATOM 0 H4' DC A 10 9.632 10.489 4.248 1.00 0.00 H new ATOM 0 H3' DC A 10 8.836 13.259 4.857 1.00 0.00 H new ATOM 0 H2' DC A 10 7.812 13.618 2.756 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.103 12.755 1.944 1.00 0.00 H new ATOM 0 H1' DC A 10 7.804 10.927 1.734 1.00 0.00 H new ATOM 0 H41 DC A 10 1.462 12.487 2.696 1.00 0.00 H new ATOM 0 H42 DC A 10 1.679 12.274 0.956 1.00 0.00 H new ATOM 0 H5 DC A 10 3.318 12.463 4.258 1.00 0.00 H new ATOM 0 H6 DC A 10 5.733 12.216 4.499 1.00 0.00 H new ATOM 315 P DC A 11 11.159 14.155 3.526 1.00 0.00 P ATOM 316 OP1 DC A 11 12.628 14.051 3.669 1.00 0.00 O ATOM 317 OP2 DC A 11 10.428 15.206 4.268 1.00 0.00 O ATOM 318 O5' DC A 11 10.827 14.348 1.951 1.00 0.00 O ATOM 319 C5' DC A 11 11.510 13.613 0.951 1.00 0.00 C ATOM 320 C4' DC A 11 10.893 13.828 -0.439 1.00 0.00 C ATOM 321 O4' DC A 11 9.553 13.394 -0.457 1.00 0.00 O ATOM 322 C3' DC A 11 10.927 15.263 -0.959 1.00 0.00 C ATOM 323 O3' DC A 11 12.130 15.525 -1.651 1.00 0.00 O ATOM 324 C2' DC A 11 9.737 15.262 -1.919 1.00 0.00 C ATOM 325 C1' DC A 11 8.855 14.079 -1.485 1.00 0.00 C ATOM 326 N1 DC A 11 7.590 14.537 -0.853 1.00 0.00 N ATOM 327 C2 DC A 11 6.372 14.373 -1.516 1.00 0.00 C ATOM 328 O2 DC A 11 6.321 13.938 -2.665 1.00 0.00 O ATOM 329 N3 DC A 11 5.226 14.711 -0.855 1.00 0.00 N ATOM 330 C4 DC A 11 5.262 15.206 0.393 1.00 0.00 C ATOM 331 N4 DC A 11 4.111 15.482 1.013 1.00 0.00 N ATOM 332 C5 DC A 11 6.507 15.424 1.072 1.00 0.00 C ATOM 333 C6 DC A 11 7.632 15.073 0.407 1.00 0.00 C ATOM 0 H5' DC A 11 11.485 12.552 1.199 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.558 13.911 0.933 1.00 0.00 H new ATOM 0 H4' DC A 11 11.526 13.237 -1.101 1.00 0.00 H new ATOM 0 H3' DC A 11 10.876 16.022 -0.178 1.00 0.00 H new ATOM 0 H2' DC A 11 9.188 16.202 -1.863 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.067 15.147 -2.952 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.126 16.450 -1.975 1.00 0.00 H new ATOM 0 H1' DC A 11 8.637 13.475 -2.366 1.00 0.00 H new ATOM 0 H41 DC A 11 4.120 15.858 1.961 1.00 0.00 H new ATOM 0 H42 DC A 11 3.224 15.316 0.538 1.00 0.00 H new ATOM 0 H5 DC A 11 6.544 15.847 2.065 1.00 0.00 H new ATOM 0 H6 DC A 11 8.590 15.220 0.883 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -5.001 14.850 -5.188 1.00 0.00 O ATOM 348 C5' DG B 12 -4.495 15.470 -6.352 1.00 0.00 C ATOM 349 C4' DG B 12 -3.105 14.926 -6.700 1.00 0.00 C ATOM 350 O4' DG B 12 -2.256 15.205 -5.601 1.00 0.00 O ATOM 351 C3' DG B 12 -3.109 13.406 -6.914 1.00 0.00 C ATOM 352 O3' DG B 12 -2.573 13.128 -8.197 1.00 0.00 O ATOM 353 C2' DG B 12 -2.217 12.903 -5.779 1.00 0.00 C ATOM 354 C1' DG B 12 -1.367 14.119 -5.460 1.00 0.00 C ATOM 355 N9 DG B 12 -0.881 14.121 -4.062 1.00 0.00 N ATOM 356 C8 DG B 12 -1.622 14.172 -2.908 1.00 0.00 C ATOM 357 N7 DG B 12 -0.913 14.244 -1.818 1.00 0.00 N ATOM 358 C5 DG B 12 0.399 14.234 -2.276 1.00 0.00 C ATOM 359 C6 DG B 12 1.621 14.297 -1.543 1.00 0.00 C ATOM 360 O6 DG B 12 1.769 14.377 -0.326 1.00 0.00 O ATOM 361 N1 DG B 12 2.739 14.256 -2.369 1.00 0.00 N ATOM 362 C2 DG B 12 2.690 14.144 -3.746 1.00 0.00 C ATOM 363 N2 DG B 12 3.859 14.066 -4.390 1.00 0.00 N ATOM 364 N3 DG B 12 1.540 14.086 -4.439 1.00 0.00 N ATOM 365 C4 DG B 12 0.432 14.139 -3.648 1.00 0.00 C ATOM 0 H5' DG B 12 -4.441 16.548 -6.201 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.176 15.299 -7.186 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.773 15.396 -7.626 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.090 12.932 -6.891 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.801 12.580 -4.917 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.608 12.053 -6.088 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.274 14.720 -4.544 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.489 14.150 -6.106 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.702 14.154 -2.904 1.00 0.00 H new ATOM 0 H1 DG B 12 3.657 14.312 -1.929 1.00 0.00 H new ATOM 0 H21 DG B 12 3.877 13.982 -5.406 1.00 0.00 H new ATOM 0 H22 DG B 12 4.733 14.090 -3.865 1.00 0.00 H new ATOM 378 P DG B 13 -2.480 11.629 -8.798 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.500 11.725 -10.274 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.473 10.780 -8.103 1.00 0.00 O ATOM 381 O5' DG B 13 -1.008 11.148 -8.345 1.00 0.00 O ATOM 382 C5' DG B 13 0.154 11.764 -8.865 1.00 0.00 C ATOM 383 C4' DG B 13 1.431 11.125 -8.306 1.00 0.00 C ATOM 384 O4' DG B 13 1.480 11.366 -6.909 1.00 0.00 O ATOM 385 C3' DG B 13 1.470 9.607 -8.510 1.00 0.00 C ATOM 386 O3' DG B 13 2.834 9.300 -8.748 1.00 0.00 O ATOM 387 C2' DG B 13 0.970 9.092 -7.159 1.00 0.00 C ATOM 388 C1' DG B 13 1.566 10.127 -6.224 1.00 0.00 C ATOM 389 N9 DG B 13 0.947 10.330 -4.895 1.00 0.00 N ATOM 390 C8 DG B 13 -0.358 10.231 -4.484 1.00 0.00 C ATOM 391 N7 DG B 13 -0.538 10.504 -3.220 1.00 0.00 N ATOM 392 C5 DG B 13 0.739 10.795 -2.750 1.00 0.00 C ATOM 393 C6 DG B 13 1.198 11.121 -1.435 1.00 0.00 C ATOM 394 O6 DG B 13 0.534 11.294 -0.418 1.00 0.00 O ATOM 395 N1 DG B 13 2.586 11.246 -1.371 1.00 0.00 N ATOM 396 C2 DG B 13 3.429 11.131 -2.460 1.00 0.00 C ATOM 397 N2 DG B 13 4.734 11.310 -2.255 1.00 0.00 N ATOM 398 N3 DG B 13 2.996 10.866 -3.699 1.00 0.00 N ATOM 399 C4 DG B 13 1.649 10.698 -3.774 1.00 0.00 C ATOM 0 H5' DG B 13 0.142 12.827 -8.623 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.153 11.685 -9.952 1.00 0.00 H new ATOM 0 H4' DG B 13 2.274 11.566 -8.838 1.00 0.00 H new ATOM 0 H3' DG B 13 0.883 9.186 -9.326 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.118 9.063 -7.104 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.327 8.085 -6.943 1.00 0.00 H new ATOM 0 H1' DG B 13 2.563 9.752 -5.994 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.164 9.952 -5.146 1.00 0.00 H new ATOM 0 H1 DG B 13 3.006 11.435 -0.461 1.00 0.00 H new ATOM 0 H21 DG B 13 5.388 11.233 -3.034 1.00 0.00 H new ATOM 0 H22 DG B 13 5.079 11.524 -1.319 1.00 0.00 H new ATOM 411 P DC B 14 3.394 7.816 -9.054 1.00 0.00 P ATOM 412 OP1 DC B 14 4.089 7.842 -10.360 1.00 0.00 O ATOM 413 OP2 DC B 14 2.328 6.820 -8.805 1.00 0.00 O ATOM 414 O5' DC B 14 4.501 7.683 -7.888 1.00 0.00 O ATOM 415 C5' DC B 14 5.651 8.512 -7.882 1.00 0.00 C ATOM 416 C4' DC B 14 6.519 8.267 -6.644 1.00 0.00 C ATOM 417 O4' DC B 14 5.760 8.634 -5.503 1.00 0.00 O ATOM 418 C3' DC B 14 6.909 6.791 -6.498 1.00 0.00 C ATOM 419 O3' DC B 14 8.285 6.744 -6.157 1.00 0.00 O ATOM 420 C2' DC B 14 5.994 6.331 -5.364 1.00 0.00 C ATOM 421 C1' DC B 14 5.876 7.608 -4.534 1.00 0.00 C ATOM 422 N1 DC B 14 4.638 7.654 -3.702 1.00 0.00 N ATOM 423 C2 DC B 14 4.743 7.839 -2.317 1.00 0.00 C ATOM 424 O2 DC B 14 5.835 7.926 -1.762 1.00 0.00 O ATOM 425 N3 DC B 14 3.599 7.924 -1.575 1.00 0.00 N ATOM 426 C4 DC B 14 2.394 7.837 -2.155 1.00 0.00 C ATOM 427 N4 DC B 14 1.294 7.935 -1.403 1.00 0.00 N ATOM 428 C5 DC B 14 2.263 7.688 -3.574 1.00 0.00 C ATOM 429 C6 DC B 14 3.399 7.610 -4.300 1.00 0.00 C ATOM 0 H5' DC B 14 5.346 9.558 -7.911 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.238 8.326 -8.781 1.00 0.00 H new ATOM 0 H4' DC B 14 7.433 8.853 -6.742 1.00 0.00 H new ATOM 0 H3' DC B 14 6.792 6.165 -7.383 1.00 0.00 H new ATOM 0 H2' DC B 14 5.026 5.989 -5.731 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.428 5.509 -4.794 1.00 0.00 H new ATOM 0 H1' DC B 14 6.723 7.690 -3.853 1.00 0.00 H new ATOM 0 H41 DC B 14 0.373 7.870 -1.836 1.00 0.00 H new ATOM 0 H42 DC B 14 1.376 8.075 -0.396 1.00 0.00 H new ATOM 0 H5 DC B 14 1.292 7.640 -4.045 1.00 0.00 H new ATOM 0 H6 DC B 14 3.334 7.511 -5.373 1.00 0.00 H new ATOM 441 P DT B 15 9.090 5.357 -5.976 1.00 0.00 P ATOM 442 OP1 DT B 15 10.532 5.635 -6.157 1.00 0.00 O ATOM 443 OP2 DT B 15 8.432 4.316 -6.797 1.00 0.00 O ATOM 444 O5' DT B 15 8.832 5.014 -4.425 1.00 0.00 O ATOM 445 C5' DT B 15 9.410 5.790 -3.393 1.00 0.00 C ATOM 446 C4' DT B 15 8.970 5.275 -2.018 1.00 0.00 C ATOM 447 O4' DT B 15 7.599 5.553 -1.886 1.00 0.00 O ATOM 448 C3' DT B 15 9.120 3.759 -1.832 1.00 0.00 C ATOM 449 O3' DT B 15 10.266 3.527 -1.022 1.00 0.00 O ATOM 450 C2' DT B 15 7.803 3.338 -1.185 1.00 0.00 C ATOM 451 C1' DT B 15 7.090 4.657 -0.925 1.00 0.00 C ATOM 452 N1 DT B 15 5.646 4.565 -1.217 1.00 0.00 N ATOM 453 C2 DT B 15 4.745 5.004 -0.257 1.00 0.00 C ATOM 454 O2 DT B 15 5.082 5.382 0.861 1.00 0.00 O ATOM 455 N3 DT B 15 3.414 4.994 -0.633 1.00 0.00 N ATOM 456 C4 DT B 15 2.910 4.590 -1.858 1.00 0.00 C ATOM 457 O4 DT B 15 1.698 4.647 -2.058 1.00 0.00 O ATOM 458 C5 DT B 15 3.919 4.129 -2.799 1.00 0.00 C ATOM 459 C7 DT B 15 3.493 3.662 -4.176 1.00 0.00 C ATOM 460 C6 DT B 15 5.232 4.128 -2.451 1.00 0.00 C ATOM 0 H5' DT B 15 9.116 6.833 -3.507 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.497 5.755 -3.470 1.00 0.00 H new ATOM 0 H4' DT B 15 9.608 5.765 -1.282 1.00 0.00 H new ATOM 0 H3' DT B 15 9.282 3.185 -2.744 1.00 0.00 H new ATOM 0 H2' DT B 15 7.222 2.692 -1.843 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.970 2.784 -0.261 1.00 0.00 H new ATOM 0 H1' DT B 15 7.237 4.947 0.115 1.00 0.00 H new ATOM 0 H3 DT B 15 2.738 5.316 0.060 1.00 0.00 H new ATOM 0 H71 DT B 15 4.292 3.860 -4.891 1.00 0.00 H new ATOM 0 H72 DT B 15 3.286 2.592 -4.150 1.00 0.00 H new ATOM 0 H73 DT B 15 2.594 4.198 -4.480 1.00 0.00 H new ATOM 0 H6 DT B 15 5.966 3.776 -3.160 1.00 0.00 H new ATOM 473 P DA B 16 10.733 2.056 -0.537 1.00 0.00 P ATOM 474 OP1 DA B 16 12.131 2.153 -0.063 1.00 0.00 O ATOM 475 OP2 DA B 16 10.382 1.084 -1.597 1.00 0.00 O ATOM 476 O5' DA B 16 9.789 1.768 0.741 1.00 0.00 O ATOM 477 C5' DA B 16 9.934 2.469 1.966 1.00 0.00 C ATOM 478 C4' DA B 16 8.754 2.188 2.915 1.00 0.00 C ATOM 479 O4' DA B 16 7.564 2.657 2.327 1.00 0.00 O ATOM 480 C3' DA B 16 8.485 0.720 3.185 1.00 0.00 C ATOM 481 O3' DA B 16 9.040 0.269 4.412 1.00 0.00 O ATOM 482 C2' DA B 16 7.018 0.460 2.958 1.00 0.00 C ATOM 483 C1' DA B 16 6.541 1.873 2.900 1.00 0.00 C ATOM 484 N9 DA B 16 5.342 1.976 2.063 1.00 0.00 N ATOM 485 C8 DA B 16 5.315 1.666 0.744 1.00 0.00 C ATOM 486 N7 DA B 16 4.160 1.852 0.168 1.00 0.00 N ATOM 487 C5 DA B 16 3.341 2.254 1.224 1.00 0.00 C ATOM 488 C6 DA B 16 1.968 2.577 1.315 1.00 0.00 C ATOM 489 N6 DA B 16 1.170 2.694 0.246 1.00 0.00 N ATOM 490 N1 DA B 16 1.437 2.774 2.538 1.00 0.00 N ATOM 491 C2 DA B 16 2.229 2.703 3.607 1.00 0.00 C ATOM 492 N3 DA B 16 3.540 2.475 3.651 1.00 0.00 N ATOM 493 C4 DA B 16 4.043 2.256 2.407 1.00 0.00 C ATOM 0 H5' DA B 16 9.998 3.539 1.770 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.868 2.176 2.447 1.00 0.00 H new ATOM 0 H4' DA B 16 9.033 2.680 3.847 1.00 0.00 H new ATOM 0 H3' DA B 16 9.021 0.088 2.477 1.00 0.00 H new ATOM 0 H2' DA B 16 6.825 -0.089 2.036 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.560 -0.107 3.768 1.00 0.00 H new ATOM 0 H1' DA B 16 6.298 2.217 3.905 1.00 0.00 H new ATOM 0 H8 DA B 16 6.179 1.295 0.213 1.00 0.00 H new ATOM 0 H61 DA B 16 0.185 2.929 0.368 1.00 0.00 H new ATOM 0 H62 DA B 16 1.547 2.548 -0.690 1.00 0.00 H new ATOM 0 H2 DA B 16 1.745 2.849 4.561 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.336 -0.970 4.148 1.00 0.00 N HETATM 506 C2 T41 B 17 2.031 -0.567 3.870 1.00 0.00 C HETATM 507 N3 T41 B 17 1.668 -0.555 2.532 1.00 0.00 N HETATM 508 C4 T41 B 17 2.469 -0.905 1.457 1.00 0.00 C HETATM 509 C5 T41 B 17 3.799 -1.334 1.835 1.00 0.00 C HETATM 510 C5M T41 B 17 4.782 -1.793 0.786 1.00 0.00 C HETATM 511 C6 T41 B 17 4.175 -1.347 3.132 1.00 0.00 C HETATM 512 O2 T41 B 17 1.223 -0.236 4.734 1.00 0.00 O HETATM 513 O4 T41 B 17 2.034 -0.834 0.311 1.00 0.00 O HETATM 514 C1' T41 B 17 3.799 -0.945 5.562 1.00 0.00 C HETATM 515 C2' T41 B 17 4.270 -2.230 6.166 1.00 0.00 C HETATM 516 O2' T41 B 17 5.136 -2.942 5.335 1.00 0.00 O HETATM 517 C3' T41 B 17 5.054 -1.764 7.385 1.00 0.00 C HETATM 518 C4' T41 B 17 5.549 -0.380 6.936 1.00 0.00 C HETATM 519 O3' T41 B 17 4.245 -1.573 8.537 1.00 0.00 O HETATM 520 O4' T41 B 17 4.853 -0.023 5.749 1.00 0.00 O HETATM 521 C5' T41 B 17 7.051 -0.335 6.627 1.00 0.00 C HETATM 522 O5' T41 B 17 7.413 -1.264 5.622 1.00 0.00 O HETATM 523 C6' T41 B 17 4.733 -4.268 5.392 1.00 0.00 C HETATM 524 P T41 B 17 8.885 -1.250 4.955 1.00 0.00 P HETATM 525 O1P T41 B 17 9.876 -1.452 6.035 1.00 0.00 O HETATM 526 O2P T41 B 17 8.869 -2.164 3.791 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.374 -2.654 0.257 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.963 -0.984 0.078 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.720 -2.073 1.265 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.326 0.670 6.307 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.615 -0.546 7.536 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.433 -2.898 6.369 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.186 -1.670 3.381 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.363 0.307 7.761 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.815 -2.492 7.666 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.716 -0.259 2.318 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.798 -4.624 6.420 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.703 -4.351 5.044 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.380 -4.873 4.757 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.876 -0.670 6.072 1.00 0.00 H new ATOM 541 P DA B 18 3.580 -2.791 9.365 1.00 0.00 P ATOM 542 OP1 DA B 18 3.519 -2.394 10.789 1.00 0.00 O ATOM 543 OP2 DA B 18 4.261 -4.049 8.986 1.00 0.00 O ATOM 544 O5' DA B 18 2.072 -2.844 8.791 1.00 0.00 O ATOM 545 C5' DA B 18 1.090 -1.899 9.183 1.00 0.00 C ATOM 546 C4' DA B 18 -0.259 -2.268 8.555 1.00 0.00 C ATOM 547 O4' DA B 18 -0.122 -2.161 7.159 1.00 0.00 O ATOM 548 C3' DA B 18 -0.676 -3.708 8.882 1.00 0.00 C ATOM 549 O3' DA B 18 -1.901 -3.658 9.596 1.00 0.00 O ATOM 550 C2' DA B 18 -0.800 -4.323 7.489 1.00 0.00 C ATOM 551 C1' DA B 18 -0.989 -3.117 6.604 1.00 0.00 C ATOM 552 N9 DA B 18 -0.529 -3.316 5.215 1.00 0.00 N ATOM 553 C8 DA B 18 0.751 -3.605 4.814 1.00 0.00 C ATOM 554 N7 DA B 18 0.932 -3.589 3.525 1.00 0.00 N ATOM 555 C5 DA B 18 -0.323 -3.258 3.033 1.00 0.00 C ATOM 556 C6 DA B 18 -0.798 -3.032 1.728 1.00 0.00 C ATOM 557 N6 DA B 18 -0.030 -3.067 0.635 1.00 0.00 N ATOM 558 N1 DA B 18 -2.085 -2.697 1.579 1.00 0.00 N ATOM 559 C2 DA B 18 -2.886 -2.585 2.631 1.00 0.00 C ATOM 560 N3 DA B 18 -2.556 -2.764 3.913 1.00 0.00 N ATOM 561 C4 DA B 18 -1.237 -3.103 4.051 1.00 0.00 C ATOM 0 H5' DA B 18 1.387 -0.899 8.868 1.00 0.00 H new ATOM 0 H5'' DA B 18 1.003 -1.879 10.269 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.020 -1.597 8.954 1.00 0.00 H new ATOM 0 H3' DA B 18 0.003 -4.285 9.510 1.00 0.00 H new ATOM 0 H2' DA B 18 0.091 -4.889 7.216 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.645 -5.008 7.424 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.048 -2.862 6.562 1.00 0.00 H new ATOM 0 H8 DA B 18 1.545 -3.828 5.512 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.440 -2.893 -0.282 1.00 0.00 H new ATOM 0 H62 DA B 18 0.967 -3.267 0.718 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.914 -2.321 2.429 1.00 0.00 H new ATOM 573 P DT B 19 -2.736 -4.979 10.006 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.537 -4.666 11.210 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.820 -6.141 10.010 1.00 0.00 O ATOM 576 O5' DT B 19 -3.742 -5.131 8.755 1.00 0.00 O ATOM 577 C5' DT B 19 -4.701 -4.132 8.463 1.00 0.00 C ATOM 578 C4' DT B 19 -5.522 -4.507 7.225 1.00 0.00 C ATOM 579 O4' DT B 19 -4.650 -4.444 6.109 1.00 0.00 O ATOM 580 C3' DT B 19 -6.084 -5.937 7.307 1.00 0.00 C ATOM 581 O3' DT B 19 -7.476 -5.901 7.034 1.00 0.00 O ATOM 582 C2' DT B 19 -5.301 -6.667 6.216 1.00 0.00 C ATOM 583 C1' DT B 19 -4.954 -5.539 5.274 1.00 0.00 C ATOM 584 N1 DT B 19 -3.840 -5.803 4.343 1.00 0.00 N ATOM 585 C2 DT B 19 -4.002 -5.675 2.967 1.00 0.00 C ATOM 586 O2 DT B 19 -5.066 -5.372 2.432 1.00 0.00 O ATOM 587 N3 DT B 19 -2.865 -5.915 2.207 1.00 0.00 N ATOM 588 C4 DT B 19 -1.615 -6.278 2.690 1.00 0.00 C ATOM 589 O4 DT B 19 -0.679 -6.442 1.911 1.00 0.00 O ATOM 590 C5 DT B 19 -1.554 -6.426 4.133 1.00 0.00 C ATOM 591 C7 DT B 19 -0.266 -6.883 4.789 1.00 0.00 C ATOM 592 C6 DT B 19 -2.655 -6.172 4.883 1.00 0.00 C ATOM 0 H5' DT B 19 -4.200 -3.179 8.297 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.364 -3.998 9.317 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.365 -3.820 7.145 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.979 -6.420 8.278 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.411 -7.158 6.611 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.900 -7.436 5.729 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.799 -5.369 4.607 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.957 -5.815 1.196 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.195 -6.455 5.789 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.259 -7.971 4.859 1.00 0.00 H new ATOM 0 H73 DT B 19 0.584 -6.553 4.192 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.583 -6.268 5.956 1.00 0.00 H new ATOM 605 P DG B 20 -8.398 -7.232 7.049 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.755 -6.845 7.494 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.670 -8.304 7.765 1.00 0.00 O ATOM 608 O5' DG B 20 -8.474 -7.639 5.487 1.00 0.00 O ATOM 609 C5' DG B 20 -9.209 -6.860 4.562 1.00 0.00 C ATOM 610 C4' DG B 20 -9.258 -7.518 3.177 1.00 0.00 C ATOM 611 O4' DG B 20 -7.969 -7.456 2.587 1.00 0.00 O ATOM 612 C3' DG B 20 -9.653 -8.999 3.240 1.00 0.00 C ATOM 613 O3' DG B 20 -10.582 -9.196 2.186 1.00 0.00 O ATOM 614 C2' DG B 20 -8.308 -9.696 3.032 1.00 0.00 C ATOM 615 C1' DG B 20 -7.666 -8.730 2.051 1.00 0.00 C ATOM 616 N9 DG B 20 -6.197 -8.808 1.945 1.00 0.00 N ATOM 617 C8 DG B 20 -5.288 -8.995 2.946 1.00 0.00 C ATOM 618 N7 DG B 20 -4.044 -8.961 2.558 1.00 0.00 N ATOM 619 C5 DG B 20 -4.134 -8.753 1.184 1.00 0.00 C ATOM 620 C6 DG B 20 -3.109 -8.679 0.193 1.00 0.00 C ATOM 621 O6 DG B 20 -1.894 -8.674 0.364 1.00 0.00 O ATOM 622 N1 DG B 20 -3.619 -8.606 -1.102 1.00 0.00 N ATOM 623 C2 DG B 20 -4.968 -8.563 -1.405 1.00 0.00 C ATOM 624 N2 DG B 20 -5.311 -8.516 -2.695 1.00 0.00 N ATOM 625 N3 DG B 20 -5.931 -8.578 -0.472 1.00 0.00 N ATOM 626 C4 DG B 20 -5.452 -8.683 0.797 1.00 0.00 C ATOM 0 H5' DG B 20 -8.757 -5.871 4.479 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.224 -6.717 4.933 1.00 0.00 H new ATOM 0 H4' DG B 20 -10.007 -6.978 2.598 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.130 -9.365 4.149 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.739 -9.791 3.957 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.417 -10.699 2.620 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.043 -8.952 1.052 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.576 -9.158 3.974 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.955 -8.583 -1.876 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.295 -8.483 -2.960 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.588 -8.513 -3.415 1.00 0.00 H new ATOM 638 P DC B 21 -11.163 -10.634 1.740 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.605 -10.478 1.445 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.717 -11.667 2.701 1.00 0.00 O ATOM 641 O5' DC B 21 -10.382 -10.853 0.345 1.00 0.00 O ATOM 642 C5' DC B 21 -10.544 -9.935 -0.724 1.00 0.00 C ATOM 643 C4' DC B 21 -9.845 -10.407 -2.004 1.00 0.00 C ATOM 644 O4' DC B 21 -8.449 -10.331 -1.771 1.00 0.00 O ATOM 645 C3' DC B 21 -10.189 -11.860 -2.356 1.00 0.00 C ATOM 646 O3' DC B 21 -10.375 -11.948 -3.760 1.00 0.00 O ATOM 647 C2' DC B 21 -8.940 -12.599 -1.880 1.00 0.00 C ATOM 648 C1' DC B 21 -7.857 -11.558 -2.152 1.00 0.00 C ATOM 649 N1 DC B 21 -6.661 -11.738 -1.288 1.00 0.00 N ATOM 650 C2 DC B 21 -5.390 -11.780 -1.867 1.00 0.00 C ATOM 651 O2 DC B 21 -5.239 -11.752 -3.086 1.00 0.00 O ATOM 652 N3 DC B 21 -4.302 -11.853 -1.047 1.00 0.00 N ATOM 653 C4 DC B 21 -4.440 -11.892 0.286 1.00 0.00 C ATOM 654 N4 DC B 21 -3.342 -11.937 1.046 1.00 0.00 N ATOM 655 C5 DC B 21 -5.733 -11.816 0.902 1.00 0.00 C ATOM 656 C6 DC B 21 -6.802 -11.740 0.078 1.00 0.00 C ATOM 0 H5' DC B 21 -10.144 -8.964 -0.431 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.607 -9.795 -0.923 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.172 -9.778 -2.832 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.099 -12.261 -1.908 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.997 -12.867 -0.825 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.772 -13.522 -2.435 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.531 -11.623 -3.190 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.426 -11.967 2.062 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.420 -11.941 0.610 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.847 -11.819 1.976 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.792 -11.679 0.505 1.00 0.00 H new ATOM 668 P DG B 22 -10.745 -13.334 -4.505 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.544 -13.012 -5.709 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.276 -14.287 -3.504 1.00 0.00 O ATOM 671 O5' DG B 22 -9.300 -13.865 -4.987 1.00 0.00 O ATOM 672 C5' DG B 22 -8.609 -13.234 -6.049 1.00 0.00 C ATOM 673 C4' DG B 22 -7.254 -13.905 -6.287 1.00 0.00 C ATOM 674 O4' DG B 22 -6.469 -13.728 -5.121 1.00 0.00 O ATOM 675 C3' DG B 22 -7.371 -15.420 -6.521 1.00 0.00 C ATOM 676 O3' DG B 22 -6.763 -15.771 -7.748 1.00 0.00 O ATOM 677 C2' DG B 22 -6.587 -16.018 -5.361 1.00 0.00 C ATOM 678 C1' DG B 22 -5.659 -14.875 -4.998 1.00 0.00 C ATOM 679 N9 DG B 22 -5.123 -14.936 -3.620 1.00 0.00 N ATOM 680 C8 DG B 22 -5.796 -15.062 -2.431 1.00 0.00 C ATOM 681 N7 DG B 22 -5.031 -15.009 -1.376 1.00 0.00 N ATOM 682 C5 DG B 22 -3.752 -14.841 -1.899 1.00 0.00 C ATOM 683 C6 DG B 22 -2.497 -14.684 -1.236 1.00 0.00 C ATOM 684 O6 DG B 22 -2.276 -14.651 -0.028 1.00 0.00 O ATOM 685 N1 DG B 22 -1.435 -14.558 -2.129 1.00 0.00 N ATOM 686 C2 DG B 22 -1.566 -14.576 -3.505 1.00 0.00 C ATOM 687 N2 DG B 22 -0.454 -14.437 -4.232 1.00 0.00 N ATOM 688 N3 DG B 22 -2.748 -14.692 -4.129 1.00 0.00 N ATOM 689 C4 DG B 22 -3.798 -14.816 -3.273 1.00 0.00 C ATOM 0 H5' DG B 22 -8.462 -12.179 -5.818 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.208 -13.281 -6.958 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.816 -13.451 -7.176 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.403 -15.768 -6.568 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.235 -16.299 -4.531 1.00 0.00 H new ATOM 0 H2'' DG B 22 -6.039 -16.913 -5.655 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.841 -16.738 -7.887 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.780 -14.895 -5.642 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.866 -15.194 -2.374 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.498 -14.445 -1.742 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.506 -14.445 -5.251 1.00 0.00 H new ATOM 0 H22 DG B 22 0.447 -14.323 -3.768 1.00 0.00 H new TER 702 DG B 22