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 32:sc= 0.0142 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.23 (180deg=-1.23) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.678 (180deg=-1.11) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -1.21 (180deg=-1.21) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.924 -13.819 0.400 1.00 0.00 O ATOM 2 C5' DC A 1 8.203 -14.730 -0.643 1.00 0.00 C ATOM 3 C4' DC A 1 7.249 -14.520 -1.824 1.00 0.00 C ATOM 4 O4' DC A 1 5.929 -14.729 -1.346 1.00 0.00 O ATOM 5 C3' DC A 1 7.315 -13.091 -2.385 1.00 0.00 C ATOM 6 O3' DC A 1 7.431 -13.166 -3.796 1.00 0.00 O ATOM 7 C2' DC A 1 5.975 -12.506 -1.943 1.00 0.00 C ATOM 8 C1' DC A 1 5.100 -13.755 -1.949 1.00 0.00 C ATOM 9 N1 DC A 1 3.863 -13.616 -1.129 1.00 0.00 N ATOM 10 C2 DC A 1 2.618 -13.762 -1.749 1.00 0.00 C ATOM 11 O2 DC A 1 2.526 -13.937 -2.961 1.00 0.00 O ATOM 12 N3 DC A 1 1.492 -13.707 -0.979 1.00 0.00 N ATOM 13 C4 DC A 1 1.565 -13.479 0.341 1.00 0.00 C ATOM 14 N4 DC A 1 0.435 -13.437 1.052 1.00 0.00 N ATOM 15 C5 DC A 1 2.830 -13.309 0.998 1.00 0.00 C ATOM 16 C6 DC A 1 3.939 -13.389 0.226 1.00 0.00 C ATOM 0 H5' DC A 1 8.111 -15.751 -0.273 1.00 0.00 H new ATOM 0 H5'' DC A 1 9.233 -14.603 -0.976 1.00 0.00 H new ATOM 0 H4' DC A 1 7.532 -15.211 -2.618 1.00 0.00 H new ATOM 0 H3' DC A 1 8.157 -12.489 -2.043 1.00 0.00 H new ATOM 0 H2' DC A 1 6.031 -12.046 -0.957 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.610 -11.743 -2.631 1.00 0.00 H new ATOM 0 HO5' DC A 1 6.966 -13.614 0.407 1.00 0.00 H new ATOM 0 H1' DC A 1 4.760 -13.985 -2.959 1.00 0.00 H new ATOM 0 H41 DC A 1 0.471 -13.265 2.057 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.464 -13.577 0.590 1.00 0.00 H new ATOM 0 H5 DC A 1 2.894 -13.126 2.060 1.00 0.00 H new ATOM 0 H6 DC A 1 4.909 -13.272 0.686 1.00 0.00 H new ATOM 29 P DG A 2 7.610 -11.852 -4.722 1.00 0.00 P ATOM 30 OP1 DG A 2 8.452 -12.221 -5.881 1.00 0.00 O ATOM 31 OP2 DG A 2 8.009 -10.720 -3.857 1.00 0.00 O ATOM 32 O5' DG A 2 6.112 -11.569 -5.252 1.00 0.00 O ATOM 33 C5' DG A 2 5.525 -12.363 -6.266 1.00 0.00 C ATOM 34 C4' DG A 2 4.143 -11.823 -6.657 1.00 0.00 C ATOM 35 O4' DG A 2 3.267 -12.007 -5.556 1.00 0.00 O ATOM 36 C3' DG A 2 4.171 -10.322 -6.987 1.00 0.00 C ATOM 37 O3' DG A 2 3.359 -10.151 -8.138 1.00 0.00 O ATOM 38 C2' DG A 2 3.558 -9.737 -5.715 1.00 0.00 C ATOM 39 C1' DG A 2 2.556 -10.800 -5.387 1.00 0.00 C ATOM 40 N9 DG A 2 1.983 -10.749 -4.031 1.00 0.00 N ATOM 41 C8 DG A 2 2.598 -10.449 -2.847 1.00 0.00 C ATOM 42 N7 DG A 2 1.829 -10.568 -1.802 1.00 0.00 N ATOM 43 C5 DG A 2 0.599 -10.939 -2.338 1.00 0.00 C ATOM 44 C6 DG A 2 -0.656 -11.165 -1.697 1.00 0.00 C ATOM 45 O6 DG A 2 -0.892 -11.198 -0.493 1.00 0.00 O ATOM 46 N1 DG A 2 -1.693 -11.362 -2.606 1.00 0.00 N ATOM 47 C2 DG A 2 -1.535 -11.371 -3.980 1.00 0.00 C ATOM 48 N2 DG A 2 -2.629 -11.540 -4.728 1.00 0.00 N ATOM 49 N3 DG A 2 -0.348 -11.210 -4.583 1.00 0.00 N ATOM 50 C4 DG A 2 0.672 -10.995 -3.708 1.00 0.00 C ATOM 0 H5' DG A 2 5.432 -13.392 -5.919 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.174 -12.379 -7.142 1.00 0.00 H new ATOM 0 H4' DG A 2 3.815 -12.362 -7.546 1.00 0.00 H new ATOM 0 H3' DG A 2 5.133 -9.863 -7.216 1.00 0.00 H new ATOM 0 H2' DG A 2 4.295 -9.602 -4.923 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.093 -8.766 -5.887 1.00 0.00 H new ATOM 0 H1' DG A 2 1.686 -10.677 -6.032 1.00 0.00 H new ATOM 0 H8 DG A 2 3.631 -10.140 -2.784 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.631 -11.509 -2.234 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.554 -11.553 -5.745 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.539 -11.656 -4.282 1.00 0.00 H new ATOM 62 P DC A 3 2.961 -8.713 -8.756 1.00 0.00 P ATOM 63 OP1 DC A 3 3.117 -8.785 -10.226 1.00 0.00 O ATOM 64 OP2 DC A 3 3.653 -7.647 -7.997 1.00 0.00 O ATOM 65 O5' DC A 3 1.383 -8.638 -8.417 1.00 0.00 O ATOM 66 C5' DC A 3 0.469 -9.562 -8.983 1.00 0.00 C ATOM 67 C4' DC A 3 -0.990 -9.157 -8.734 1.00 0.00 C ATOM 68 O4' DC A 3 -1.255 -9.254 -7.343 1.00 0.00 O ATOM 69 C3' DC A 3 -1.252 -7.710 -9.160 1.00 0.00 C ATOM 70 O3' DC A 3 -2.539 -7.665 -9.759 1.00 0.00 O ATOM 71 C2' DC A 3 -1.196 -6.972 -7.824 1.00 0.00 C ATOM 72 C1' DC A 3 -1.778 -8.022 -6.874 1.00 0.00 C ATOM 73 N1 DC A 3 -1.329 -7.920 -5.457 1.00 0.00 N ATOM 74 C2 DC A 3 -2.247 -8.171 -4.430 1.00 0.00 C ATOM 75 O2 DC A 3 -3.432 -8.392 -4.669 1.00 0.00 O ATOM 76 N3 DC A 3 -1.804 -8.169 -3.138 1.00 0.00 N ATOM 77 C4 DC A 3 -0.513 -7.942 -2.852 1.00 0.00 C ATOM 78 N4 DC A 3 -0.124 -7.955 -1.574 1.00 0.00 N ATOM 79 C5 DC A 3 0.457 -7.750 -3.892 1.00 0.00 C ATOM 80 C6 DC A 3 0.002 -7.748 -5.165 1.00 0.00 C ATOM 0 H5' DC A 3 0.647 -10.551 -8.562 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.646 -9.636 -10.056 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.630 -9.819 -9.317 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.559 -7.283 -9.885 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.178 -6.691 -7.552 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.787 -6.056 -7.836 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.862 -7.904 -6.874 1.00 0.00 H new ATOM 0 H41 DC A 3 0.853 -7.785 -1.337 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.804 -8.135 -0.836 1.00 0.00 H new ATOM 0 H5 DC A 3 1.505 -7.613 -3.668 1.00 0.00 H new ATOM 0 H6 DC A 3 0.704 -7.607 -5.974 1.00 0.00 H new ATOM 92 P DA A 4 -3.194 -6.300 -10.325 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.138 -6.657 -11.408 1.00 0.00 O ATOM 94 OP2 DA A 4 -2.110 -5.327 -10.587 1.00 0.00 O ATOM 95 O5' DA A 4 -4.048 -5.777 -9.060 1.00 0.00 O ATOM 96 C5' DA A 4 -5.268 -6.394 -8.694 1.00 0.00 C ATOM 97 C4' DA A 4 -5.838 -5.742 -7.433 1.00 0.00 C ATOM 98 O4' DA A 4 -5.093 -6.098 -6.293 1.00 0.00 O ATOM 99 C3' DA A 4 -6.006 -4.223 -7.506 1.00 0.00 C ATOM 100 O3' DA A 4 -7.375 -3.859 -7.358 1.00 0.00 O ATOM 101 C2' DA A 4 -5.176 -3.890 -6.308 1.00 0.00 C ATOM 102 C1' DA A 4 -5.326 -5.057 -5.375 1.00 0.00 C ATOM 103 N9 DA A 4 -4.239 -5.110 -4.403 1.00 0.00 N ATOM 104 C8 DA A 4 -2.925 -5.050 -4.716 1.00 0.00 C ATOM 105 N7 DA A 4 -2.116 -5.106 -3.695 1.00 0.00 N ATOM 106 C5 DA A 4 -2.990 -5.240 -2.618 1.00 0.00 C ATOM 107 C6 DA A 4 -2.790 -5.384 -1.231 1.00 0.00 C ATOM 108 N6 DA A 4 -1.575 -5.441 -0.676 1.00 0.00 N ATOM 109 N1 DA A 4 -3.872 -5.484 -0.438 1.00 0.00 N ATOM 110 C2 DA A 4 -5.087 -5.456 -0.981 1.00 0.00 C ATOM 111 N3 DA A 4 -5.409 -5.343 -2.266 1.00 0.00 N ATOM 112 C4 DA A 4 -4.297 -5.241 -3.041 1.00 0.00 C ATOM 0 H5' DA A 4 -5.107 -7.458 -8.520 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.985 -6.310 -9.511 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.849 -6.142 -7.354 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.718 -3.724 -8.431 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.132 -3.740 -6.584 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.517 -2.967 -5.839 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.260 -5.058 -4.813 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.573 -4.962 -5.733 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.480 -5.546 0.334 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.743 -5.380 -1.263 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.915 -5.535 -0.292 1.00 0.00 H new ATOM 124 P DT A 5 -7.871 -2.321 -7.187 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.252 -2.228 -7.710 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.822 -1.430 -7.732 1.00 0.00 O ATOM 127 O5' DT A 5 -7.926 -2.104 -5.581 1.00 0.00 O ATOM 128 C5' DT A 5 -8.921 -2.733 -4.794 1.00 0.00 C ATOM 129 C4' DT A 5 -8.776 -2.432 -3.295 1.00 0.00 C ATOM 130 O4' DT A 5 -7.555 -2.930 -2.815 1.00 0.00 O ATOM 131 C3' DT A 5 -8.897 -0.956 -2.891 1.00 0.00 C ATOM 132 O3' DT A 5 -10.012 -0.844 -2.015 1.00 0.00 O ATOM 133 C2' DT A 5 -7.576 -0.684 -2.181 1.00 0.00 C ATOM 134 C1' DT A 5 -7.135 -2.081 -1.767 1.00 0.00 C ATOM 135 N1 DT A 5 -5.664 -2.150 -1.809 1.00 0.00 N ATOM 136 C2 DT A 5 -4.957 -2.289 -0.626 1.00 0.00 C ATOM 137 O2 DT A 5 -5.490 -2.552 0.448 1.00 0.00 O ATOM 138 N3 DT A 5 -3.589 -2.105 -0.726 1.00 0.00 N ATOM 139 C4 DT A 5 -2.863 -1.995 -1.902 1.00 0.00 C ATOM 140 O4 DT A 5 -1.633 -1.994 -1.859 1.00 0.00 O ATOM 141 C5 DT A 5 -3.682 -1.886 -3.103 1.00 0.00 C ATOM 142 C7 DT A 5 -3.003 -1.700 -4.447 1.00 0.00 C ATOM 143 C6 DT A 5 -5.040 -1.948 -3.011 1.00 0.00 C ATOM 0 H5' DT A 5 -8.872 -3.811 -4.949 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.905 -2.406 -5.132 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.630 -2.935 -2.841 1.00 0.00 H new ATOM 0 H3' DT A 5 -9.058 -0.253 -3.708 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.851 -0.208 -2.841 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.705 -0.027 -1.321 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.524 -2.336 -0.781 1.00 0.00 H new ATOM 0 H3 DT A 5 -3.066 -2.045 0.147 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.615 -2.150 -5.229 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.881 -0.636 -4.649 1.00 0.00 H new ATOM 0 H73 DT A 5 -2.025 -2.181 -4.430 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.636 -1.836 -3.904 1.00 0.00 H new ATOM 156 P DA A 6 -10.443 0.536 -1.287 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.837 0.383 -0.815 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.094 1.660 -2.184 1.00 0.00 O ATOM 159 O5' DA A 6 -9.481 0.614 0.013 1.00 0.00 O ATOM 160 C5' DA A 6 -9.552 -0.334 1.064 1.00 0.00 C ATOM 161 C4' DA A 6 -8.532 -0.019 2.172 1.00 0.00 C ATOM 162 O4' DA A 6 -7.256 -0.501 1.784 1.00 0.00 O ATOM 163 C3' DA A 6 -8.390 1.480 2.501 1.00 0.00 C ATOM 164 O3' DA A 6 -9.032 1.773 3.732 1.00 0.00 O ATOM 165 C2' DA A 6 -6.889 1.572 2.553 1.00 0.00 C ATOM 166 C1' DA A 6 -6.305 0.203 2.557 1.00 0.00 C ATOM 167 N9 DA A 6 -5.028 0.292 1.812 1.00 0.00 N ATOM 168 C8 DA A 6 -4.907 0.520 0.478 1.00 0.00 C ATOM 169 N7 DA A 6 -3.703 0.660 0.019 1.00 0.00 N ATOM 170 C5 DA A 6 -2.949 0.509 1.164 1.00 0.00 C ATOM 171 C6 DA A 6 -1.564 0.425 1.363 1.00 0.00 C ATOM 172 N6 DA A 6 -0.705 0.387 0.340 1.00 0.00 N ATOM 173 N1 DA A 6 -1.118 0.302 2.624 1.00 0.00 N ATOM 174 C2 DA A 6 -2.004 0.264 3.616 1.00 0.00 C ATOM 175 N3 DA A 6 -3.330 0.298 3.563 1.00 0.00 N ATOM 176 C4 DA A 6 -3.747 0.406 2.280 1.00 0.00 C ATOM 0 H5' DA A 6 -9.366 -1.333 0.669 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.558 -0.340 1.484 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.910 -0.511 3.068 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.845 2.188 1.809 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.519 2.134 1.695 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.578 2.113 3.447 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.117 -0.244 3.533 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.771 0.581 -0.167 1.00 0.00 H new ATOM 0 H61 DA A 6 0.298 0.326 0.518 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.052 0.419 -0.619 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.583 0.196 4.608 1.00 0.00 H new ATOM 188 P DT A 7 -9.004 3.242 4.414 1.00 0.00 P ATOM 189 OP1 DT A 7 -10.001 3.255 5.507 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.078 4.259 3.342 1.00 0.00 O ATOM 191 O5' DT A 7 -7.537 3.326 5.081 1.00 0.00 O ATOM 192 C5' DT A 7 -7.093 2.358 6.014 1.00 0.00 C ATOM 193 C4' DT A 7 -5.639 2.614 6.426 1.00 0.00 C ATOM 194 O4' DT A 7 -4.816 2.401 5.288 1.00 0.00 O ATOM 195 C3' DT A 7 -5.430 4.059 6.892 1.00 0.00 C ATOM 196 O3' DT A 7 -4.840 4.046 8.182 1.00 0.00 O ATOM 197 C2' DT A 7 -4.495 4.612 5.818 1.00 0.00 C ATOM 198 C1' DT A 7 -3.782 3.365 5.306 1.00 0.00 C ATOM 199 N1 DT A 7 -3.257 3.541 3.934 1.00 0.00 N ATOM 200 C2 DT A 7 -1.890 3.387 3.695 1.00 0.00 C ATOM 201 O2 DT A 7 -1.058 3.218 4.583 1.00 0.00 O ATOM 202 N3 DT A 7 -1.496 3.433 2.368 1.00 0.00 N ATOM 203 C4 DT A 7 -2.326 3.655 1.279 1.00 0.00 C ATOM 204 O4 DT A 7 -1.849 3.658 0.146 1.00 0.00 O ATOM 205 C5 DT A 7 -3.725 3.865 1.627 1.00 0.00 C ATOM 206 C7 DT A 7 -4.755 4.118 0.550 1.00 0.00 C ATOM 207 C6 DT A 7 -4.131 3.803 2.918 1.00 0.00 C ATOM 0 H5' DT A 7 -7.181 1.362 5.579 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.733 2.378 6.896 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.389 1.943 7.248 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.335 4.658 6.991 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.046 5.116 5.024 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.793 5.338 6.229 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.921 3.105 5.922 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.505 3.291 2.174 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.283 4.623 -0.293 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.173 3.168 0.216 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.552 4.745 0.949 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.173 3.965 3.150 1.00 0.00 H new ATOM 220 P DA A 8 -4.575 5.401 9.027 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.567 5.051 10.465 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.490 6.455 8.534 1.00 0.00 O ATOM 223 O5' DA A 8 -3.074 5.799 8.596 1.00 0.00 O ATOM 224 C5' DA A 8 -1.960 5.078 9.083 1.00 0.00 C ATOM 225 C4' DA A 8 -0.663 5.608 8.471 1.00 0.00 C ATOM 226 O4' DA A 8 -0.609 5.276 7.095 1.00 0.00 O ATOM 227 C3' DA A 8 -0.501 7.132 8.588 1.00 0.00 C ATOM 228 O3' DA A 8 0.705 7.415 9.281 1.00 0.00 O ATOM 229 C2' DA A 8 -0.480 7.522 7.137 1.00 0.00 C ATOM 230 C1' DA A 8 0.118 6.318 6.484 1.00 0.00 C ATOM 231 N9 DA A 8 -0.123 6.317 5.035 1.00 0.00 N ATOM 232 C8 DA A 8 -1.306 6.543 4.396 1.00 0.00 C ATOM 233 N7 DA A 8 -1.251 6.439 3.098 1.00 0.00 N ATOM 234 C5 DA A 8 0.089 6.144 2.861 1.00 0.00 C ATOM 235 C6 DA A 8 0.827 5.880 1.689 1.00 0.00 C ATOM 236 N6 DA A 8 0.268 5.780 0.476 1.00 0.00 N ATOM 237 N1 DA A 8 2.156 5.701 1.806 1.00 0.00 N ATOM 238 C2 DA A 8 2.721 5.743 3.011 1.00 0.00 C ATOM 239 N3 DA A 8 2.134 5.928 4.187 1.00 0.00 N ATOM 240 C4 DA A 8 0.797 6.122 4.039 1.00 0.00 C ATOM 0 H5' DA A 8 -2.074 4.020 8.846 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.915 5.159 10.169 1.00 0.00 H new ATOM 0 H4' DA A 8 0.142 5.139 9.037 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.267 7.670 9.147 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.481 7.733 6.759 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.120 8.416 6.966 1.00 0.00 H new ATOM 0 H1' DA A 8 1.200 6.252 6.600 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.216 6.789 4.923 1.00 0.00 H new ATOM 0 H61 DA A 8 0.850 5.587 -0.339 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.740 5.896 0.368 1.00 0.00 H new ATOM 0 H2 DA A 8 3.792 5.610 3.034 1.00 0.00 H new ATOM 252 P DG A 9 1.191 8.920 9.623 1.00 0.00 P ATOM 253 OP1 DG A 9 1.607 8.959 11.043 1.00 0.00 O ATOM 254 OP2 DG A 9 0.181 9.881 9.128 1.00 0.00 O ATOM 255 O5' DG A 9 2.509 9.068 8.705 1.00 0.00 O ATOM 256 C5' DG A 9 3.652 8.270 8.936 1.00 0.00 C ATOM 257 C4' DG A 9 4.862 8.734 8.116 1.00 0.00 C ATOM 258 O4' DG A 9 4.600 8.533 6.737 1.00 0.00 O ATOM 259 C3' DG A 9 5.175 10.218 8.308 1.00 0.00 C ATOM 260 O3' DG A 9 6.591 10.305 8.228 1.00 0.00 O ATOM 261 C2' DG A 9 4.415 10.860 7.149 1.00 0.00 C ATOM 262 C1' DG A 9 4.497 9.782 6.070 1.00 0.00 C ATOM 263 N9 DG A 9 3.336 9.638 5.163 1.00 0.00 N ATOM 264 C8 DG A 9 2.005 9.897 5.378 1.00 0.00 C ATOM 265 N7 DG A 9 1.252 9.701 4.329 1.00 0.00 N ATOM 266 C5 DG A 9 2.143 9.281 3.345 1.00 0.00 C ATOM 267 C6 DG A 9 1.929 8.984 1.963 1.00 0.00 C ATOM 268 O6 DG A 9 0.868 8.975 1.345 1.00 0.00 O ATOM 269 N1 DG A 9 3.112 8.674 1.291 1.00 0.00 N ATOM 270 C2 DG A 9 4.353 8.606 1.893 1.00 0.00 C ATOM 271 N2 DG A 9 5.397 8.312 1.113 1.00 0.00 N ATOM 272 N3 DG A 9 4.553 8.867 3.193 1.00 0.00 N ATOM 273 C4 DG A 9 3.414 9.206 3.859 1.00 0.00 C ATOM 0 H5' DG A 9 3.424 7.233 8.689 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.903 8.297 9.996 1.00 0.00 H new ATOM 0 H4' DG A 9 5.715 8.150 8.462 1.00 0.00 H new ATOM 0 H3' DG A 9 4.884 10.703 9.240 1.00 0.00 H new ATOM 0 H2' DG A 9 3.384 11.090 7.417 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.877 11.794 6.827 1.00 0.00 H new ATOM 0 H1' DG A 9 5.341 10.081 5.449 1.00 0.00 H new ATOM 0 H8 DG A 9 1.616 10.232 6.328 1.00 0.00 H new ATOM 0 H1 DG A 9 3.057 8.485 0.290 1.00 0.00 H new ATOM 0 H21 DG A 9 6.333 8.251 1.515 1.00 0.00 H new ATOM 0 H22 DG A 9 5.258 8.148 0.116 1.00 0.00 H new ATOM 285 P DC A 10 7.427 11.677 8.069 1.00 0.00 P ATOM 286 OP1 DC A 10 8.698 11.528 8.812 1.00 0.00 O ATOM 287 OP2 DC A 10 6.541 12.829 8.350 1.00 0.00 O ATOM 288 O5' DC A 10 7.758 11.642 6.488 1.00 0.00 O ATOM 289 C5' DC A 10 8.511 10.575 5.933 1.00 0.00 C ATOM 290 C4' DC A 10 8.824 10.766 4.442 1.00 0.00 C ATOM 291 O4' DC A 10 7.615 10.484 3.772 1.00 0.00 O ATOM 292 C3' DC A 10 9.249 12.188 4.049 1.00 0.00 C ATOM 293 O3' DC A 10 10.653 12.301 3.861 1.00 0.00 O ATOM 294 C2' DC A 10 8.510 12.396 2.735 1.00 0.00 C ATOM 295 C1' DC A 10 7.548 11.240 2.584 1.00 0.00 C ATOM 296 N1 DC A 10 6.149 11.706 2.425 1.00 0.00 N ATOM 297 C2 DC A 10 5.592 11.723 1.148 1.00 0.00 C ATOM 298 O2 DC A 10 6.296 11.547 0.156 1.00 0.00 O ATOM 299 N3 DC A 10 4.249 11.938 1.022 1.00 0.00 N ATOM 300 C4 DC A 10 3.481 12.146 2.103 1.00 0.00 C ATOM 301 N4 DC A 10 2.163 12.302 1.943 1.00 0.00 N ATOM 302 C5 DC A 10 4.051 12.175 3.422 1.00 0.00 C ATOM 303 C6 DC A 10 5.379 11.971 3.528 1.00 0.00 C ATOM 0 H5' DC A 10 7.961 9.643 6.066 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.446 10.474 6.484 1.00 0.00 H new ATOM 0 H4' DC A 10 9.664 10.121 4.185 1.00 0.00 H new ATOM 0 H3' DC A 10 9.015 12.925 4.817 1.00 0.00 H new ATOM 0 H2' DC A 10 7.975 13.346 2.739 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.209 12.428 1.900 1.00 0.00 H new ATOM 0 H1' DC A 10 7.823 10.665 1.699 1.00 0.00 H new ATOM 0 H41 DC A 10 1.566 12.461 2.755 1.00 0.00 H new ATOM 0 H42 DC A 10 1.754 12.262 1.009 1.00 0.00 H new ATOM 0 H5 DC A 10 3.439 12.353 4.294 1.00 0.00 H new ATOM 0 H6 DC A 10 5.846 12.017 4.501 1.00 0.00 H new ATOM 315 P DC A 11 11.362 13.708 3.459 1.00 0.00 P ATOM 316 OP1 DC A 11 12.826 13.527 3.576 1.00 0.00 O ATOM 317 OP2 DC A 11 10.699 14.791 4.219 1.00 0.00 O ATOM 318 O5' DC A 11 11.016 13.928 1.892 1.00 0.00 O ATOM 319 C5' DC A 11 11.638 13.159 0.878 1.00 0.00 C ATOM 320 C4' DC A 11 11.015 13.423 -0.501 1.00 0.00 C ATOM 321 O4' DC A 11 9.653 13.062 -0.506 1.00 0.00 O ATOM 322 C3' DC A 11 11.118 14.861 -1.003 1.00 0.00 C ATOM 323 O3' DC A 11 12.328 15.070 -1.699 1.00 0.00 O ATOM 324 C2' DC A 11 9.922 14.931 -1.953 1.00 0.00 C ATOM 325 C1' DC A 11 8.983 13.792 -1.522 1.00 0.00 C ATOM 326 N1 DC A 11 7.749 14.307 -0.872 1.00 0.00 N ATOM 327 C2 DC A 11 6.518 14.209 -1.524 1.00 0.00 C ATOM 328 O2 DC A 11 6.435 13.792 -2.679 1.00 0.00 O ATOM 329 N3 DC A 11 5.396 14.590 -0.846 1.00 0.00 N ATOM 330 C4 DC A 11 5.468 15.067 0.408 1.00 0.00 C ATOM 331 N4 DC A 11 4.337 15.386 1.044 1.00 0.00 N ATOM 332 C5 DC A 11 6.729 15.218 1.076 1.00 0.00 C ATOM 333 C6 DC A 11 7.830 14.824 0.393 1.00 0.00 C ATOM 0 H5' DC A 11 11.550 12.100 1.120 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.702 13.392 0.847 1.00 0.00 H new ATOM 0 H4' DC A 11 11.606 12.807 -1.179 1.00 0.00 H new ATOM 0 H3' DC A 11 11.110 15.613 -0.214 1.00 0.00 H new ATOM 0 H2' DC A 11 9.423 15.898 -1.884 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.237 14.808 -2.989 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.369 15.998 -2.012 1.00 0.00 H new ATOM 0 H1' DC A 11 8.727 13.211 -2.408 1.00 0.00 H new ATOM 0 H41 DC A 11 4.373 15.750 1.996 1.00 0.00 H new ATOM 0 H42 DC A 11 3.438 15.266 0.577 1.00 0.00 H new ATOM 0 H5 DC A 11 6.797 15.626 2.074 1.00 0.00 H new ATOM 0 H6 DC A 11 8.799 14.920 0.859 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.357 17.047 -6.245 1.00 0.00 O ATOM 348 C5' DG B 12 -4.426 15.642 -6.364 1.00 0.00 C ATOM 349 C4' DG B 12 -3.026 15.061 -6.586 1.00 0.00 C ATOM 350 O4' DG B 12 -2.250 15.329 -5.434 1.00 0.00 O ATOM 351 C3' DG B 12 -3.065 13.535 -6.747 1.00 0.00 C ATOM 352 O3' DG B 12 -2.673 13.212 -8.071 1.00 0.00 O ATOM 353 C2' DG B 12 -2.076 13.047 -5.685 1.00 0.00 C ATOM 354 C1' DG B 12 -1.291 14.298 -5.336 1.00 0.00 C ATOM 355 N9 DG B 12 -0.786 14.277 -3.944 1.00 0.00 N ATOM 356 C8 DG B 12 -1.509 14.330 -2.779 1.00 0.00 C ATOM 357 N7 DG B 12 -0.783 14.361 -1.699 1.00 0.00 N ATOM 358 C5 DG B 12 0.521 14.315 -2.176 1.00 0.00 C ATOM 359 C6 DG B 12 1.755 14.323 -1.460 1.00 0.00 C ATOM 360 O6 DG B 12 1.924 14.379 -0.245 1.00 0.00 O ATOM 361 N1 DG B 12 2.859 14.255 -2.304 1.00 0.00 N ATOM 362 C2 DG B 12 2.786 14.165 -3.682 1.00 0.00 C ATOM 363 N2 DG B 12 3.943 14.055 -4.343 1.00 0.00 N ATOM 364 N3 DG B 12 1.625 14.160 -4.358 1.00 0.00 N ATOM 365 C4 DG B 12 0.532 14.241 -3.550 1.00 0.00 C ATOM 0 H5' DG B 12 -5.076 15.372 -7.196 1.00 0.00 H new ATOM 0 H5'' DG B 12 -4.867 15.215 -5.463 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.613 15.511 -7.489 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.043 13.073 -6.608 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.590 12.639 -4.815 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.428 12.260 -6.071 1.00 0.00 H new ATOM 0 HO5' DG B 12 -5.257 17.408 -6.105 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.423 14.408 -5.986 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.589 14.345 -2.760 1.00 0.00 H new ATOM 0 H1 DG B 12 3.785 14.273 -1.877 1.00 0.00 H new ATOM 0 H21 DG B 12 3.944 13.985 -5.361 1.00 0.00 H new ATOM 0 H22 DG B 12 4.824 14.041 -3.830 1.00 0.00 H new ATOM 378 P DG B 13 -2.629 11.693 -8.625 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.727 11.741 -10.100 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.595 10.882 -7.851 1.00 0.00 O ATOM 381 O5' DG B 13 -1.141 11.209 -8.236 1.00 0.00 O ATOM 382 C5' DG B 13 0.000 11.860 -8.757 1.00 0.00 C ATOM 383 C4' DG B 13 1.299 11.215 -8.260 1.00 0.00 C ATOM 384 O4' DG B 13 1.404 11.440 -6.863 1.00 0.00 O ATOM 385 C3' DG B 13 1.333 9.700 -8.480 1.00 0.00 C ATOM 386 O3' DG B 13 2.693 9.395 -8.751 1.00 0.00 O ATOM 387 C2' DG B 13 0.863 9.172 -7.123 1.00 0.00 C ATOM 388 C1' DG B 13 1.484 10.194 -6.190 1.00 0.00 C ATOM 389 N9 DG B 13 0.888 10.396 -4.851 1.00 0.00 N ATOM 390 C8 DG B 13 -0.415 10.331 -4.425 1.00 0.00 C ATOM 391 N7 DG B 13 -0.573 10.598 -3.157 1.00 0.00 N ATOM 392 C5 DG B 13 0.717 10.850 -2.699 1.00 0.00 C ATOM 393 C6 DG B 13 1.201 11.153 -1.388 1.00 0.00 C ATOM 394 O6 DG B 13 0.554 11.335 -0.360 1.00 0.00 O ATOM 395 N1 DG B 13 2.592 11.242 -1.340 1.00 0.00 N ATOM 396 C2 DG B 13 3.418 11.117 -2.441 1.00 0.00 C ATOM 397 N2 DG B 13 4.730 11.262 -2.250 1.00 0.00 N ATOM 398 N3 DG B 13 2.964 10.874 -3.676 1.00 0.00 N ATOM 399 C4 DG B 13 1.612 10.740 -3.736 1.00 0.00 C ATOM 0 H5' DG B 13 -0.018 12.911 -8.469 1.00 0.00 H new ATOM 0 H5'' DG B 13 -0.029 11.828 -9.846 1.00 0.00 H new ATOM 0 H4' DG B 13 2.118 11.662 -8.823 1.00 0.00 H new ATOM 0 H3' DG B 13 0.729 9.287 -9.288 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.224 9.146 -7.043 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.221 8.161 -6.926 1.00 0.00 H new ATOM 0 H1' DG B 13 2.479 9.803 -5.979 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.236 10.081 -5.080 1.00 0.00 H new ATOM 0 H1 DG B 13 3.028 11.410 -0.433 1.00 0.00 H new ATOM 0 H21 DG B 13 5.373 11.177 -3.038 1.00 0.00 H new ATOM 0 H22 DG B 13 5.091 11.458 -1.316 1.00 0.00 H new ATOM 411 P DC B 14 3.250 7.912 -9.067 1.00 0.00 P ATOM 412 OP1 DC B 14 3.943 7.947 -10.375 1.00 0.00 O ATOM 413 OP2 DC B 14 2.183 6.917 -8.825 1.00 0.00 O ATOM 414 O5' DC B 14 4.360 7.765 -7.905 1.00 0.00 O ATOM 415 C5' DC B 14 5.513 8.591 -7.895 1.00 0.00 C ATOM 416 C4' DC B 14 6.397 8.320 -6.672 1.00 0.00 C ATOM 417 O4' DC B 14 5.654 8.667 -5.515 1.00 0.00 O ATOM 418 C3' DC B 14 6.785 6.841 -6.558 1.00 0.00 C ATOM 419 O3' DC B 14 8.163 6.786 -6.229 1.00 0.00 O ATOM 420 C2' DC B 14 5.879 6.361 -5.425 1.00 0.00 C ATOM 421 C1' DC B 14 5.775 7.621 -4.568 1.00 0.00 C ATOM 422 N1 DC B 14 4.547 7.657 -3.723 1.00 0.00 N ATOM 423 C2 DC B 14 4.667 7.819 -2.337 1.00 0.00 C ATOM 424 O2 DC B 14 5.765 7.882 -1.791 1.00 0.00 O ATOM 425 N3 DC B 14 3.531 7.909 -1.583 1.00 0.00 N ATOM 426 C4 DC B 14 2.319 7.848 -2.154 1.00 0.00 C ATOM 427 N4 DC B 14 1.228 7.958 -1.391 1.00 0.00 N ATOM 428 C5 DC B 14 2.174 7.719 -3.572 1.00 0.00 C ATOM 429 C6 DC B 14 3.303 7.635 -4.310 1.00 0.00 C ATOM 0 H5' DC B 14 5.210 9.638 -7.900 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.089 8.422 -8.805 1.00 0.00 H new ATOM 0 H4' DC B 14 7.311 8.906 -6.772 1.00 0.00 H new ATOM 0 H3' DC B 14 6.660 6.232 -7.453 1.00 0.00 H new ATOM 0 H2' DC B 14 4.906 6.030 -5.789 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.315 5.526 -4.876 1.00 0.00 H new ATOM 0 H1' DC B 14 6.629 7.684 -3.894 1.00 0.00 H new ATOM 0 H41 DC B 14 0.302 7.913 -1.816 1.00 0.00 H new ATOM 0 H42 DC B 14 1.321 8.087 -0.384 1.00 0.00 H new ATOM 0 H5 DC B 14 1.199 7.690 -4.035 1.00 0.00 H new ATOM 0 H6 DC B 14 3.227 7.549 -5.384 1.00 0.00 H new ATOM 441 P DT B 15 8.968 5.394 -6.080 1.00 0.00 P ATOM 442 OP1 DT B 15 10.410 5.674 -6.266 1.00 0.00 O ATOM 443 OP2 DT B 15 8.303 4.371 -6.917 1.00 0.00 O ATOM 444 O5' DT B 15 8.722 5.020 -4.534 1.00 0.00 O ATOM 445 C5' DT B 15 9.313 5.770 -3.491 1.00 0.00 C ATOM 446 C4' DT B 15 8.883 5.229 -2.123 1.00 0.00 C ATOM 447 O4' DT B 15 7.516 5.513 -1.970 1.00 0.00 O ATOM 448 C3' DT B 15 9.024 3.708 -1.969 1.00 0.00 C ATOM 449 O3' DT B 15 10.178 3.452 -1.179 1.00 0.00 O ATOM 450 C2' DT B 15 7.712 3.283 -1.315 1.00 0.00 C ATOM 451 C1' DT B 15 7.011 4.601 -1.021 1.00 0.00 C ATOM 452 N1 DT B 15 5.564 4.525 -1.297 1.00 0.00 N ATOM 453 C2 DT B 15 4.676 4.947 -0.317 1.00 0.00 C ATOM 454 O2 DT B 15 5.028 5.291 0.807 1.00 0.00 O ATOM 455 N3 DT B 15 3.342 4.961 -0.680 1.00 0.00 N ATOM 456 C4 DT B 15 2.821 4.591 -1.908 1.00 0.00 C ATOM 457 O4 DT B 15 1.608 4.665 -2.095 1.00 0.00 O ATOM 458 C5 DT B 15 3.815 4.139 -2.869 1.00 0.00 C ATOM 459 C7 DT B 15 3.370 3.700 -4.249 1.00 0.00 C ATOM 460 C6 DT B 15 5.132 4.118 -2.535 1.00 0.00 C ATOM 0 H5' DT B 15 9.024 6.817 -3.581 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.399 5.730 -3.578 1.00 0.00 H new ATOM 0 H4' DT B 15 9.532 5.700 -1.385 1.00 0.00 H new ATOM 0 H3' DT B 15 9.170 3.151 -2.894 1.00 0.00 H new ATOM 0 H2' DT B 15 7.119 2.654 -1.979 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.886 2.710 -0.404 1.00 0.00 H new ATOM 0 H1' DT B 15 7.172 4.869 0.023 1.00 0.00 H new ATOM 0 H3 DT B 15 2.676 5.275 0.026 1.00 0.00 H new ATOM 0 H71 DT B 15 4.163 3.904 -4.969 1.00 0.00 H new ATOM 0 H72 DT B 15 3.155 2.631 -4.239 1.00 0.00 H new ATOM 0 H73 DT B 15 2.472 4.248 -4.533 1.00 0.00 H new ATOM 0 H6 DT B 15 5.855 3.773 -3.260 1.00 0.00 H new ATOM 473 P DA B 16 10.637 1.969 -0.724 1.00 0.00 P ATOM 474 OP1 DA B 16 12.044 2.044 -0.270 1.00 0.00 O ATOM 475 OP2 DA B 16 10.261 1.018 -1.793 1.00 0.00 O ATOM 476 O5' DA B 16 9.711 1.671 0.564 1.00 0.00 O ATOM 477 C5' DA B 16 9.881 2.352 1.797 1.00 0.00 C ATOM 478 C4' DA B 16 8.714 2.065 2.760 1.00 0.00 C ATOM 479 O4' DA B 16 7.518 2.550 2.196 1.00 0.00 O ATOM 480 C3' DA B 16 8.438 0.595 3.014 1.00 0.00 C ATOM 481 O3' DA B 16 9.009 0.123 4.226 1.00 0.00 O ATOM 482 C2' DA B 16 6.967 0.347 2.804 1.00 0.00 C ATOM 483 C1' DA B 16 6.498 1.764 2.772 1.00 0.00 C ATOM 484 N9 DA B 16 5.288 1.887 1.954 1.00 0.00 N ATOM 485 C8 DA B 16 5.242 1.596 0.631 1.00 0.00 C ATOM 486 N7 DA B 16 4.082 1.804 0.071 1.00 0.00 N ATOM 487 C5 DA B 16 3.281 2.200 1.143 1.00 0.00 C ATOM 488 C6 DA B 16 1.914 2.539 1.254 1.00 0.00 C ATOM 489 N6 DA B 16 1.107 2.681 0.195 1.00 0.00 N ATOM 490 N1 DA B 16 1.398 2.723 2.486 1.00 0.00 N ATOM 491 C2 DA B 16 2.201 2.627 3.545 1.00 0.00 C ATOM 492 N3 DA B 16 3.510 2.383 3.570 1.00 0.00 N ATOM 493 C4 DA B 16 3.997 2.177 2.317 1.00 0.00 C ATOM 0 H5' DA B 16 9.951 3.425 1.616 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.820 2.045 2.258 1.00 0.00 H new ATOM 0 H4' DA B 16 9.011 2.542 3.694 1.00 0.00 H new ATOM 0 H3' DA B 16 8.959 -0.031 2.289 1.00 0.00 H new ATOM 0 H2' DA B 16 6.757 -0.188 1.878 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.517 -0.228 3.613 1.00 0.00 H new ATOM 0 H1' DA B 16 6.271 2.094 3.786 1.00 0.00 H new ATOM 0 H8 DA B 16 6.096 1.223 0.085 1.00 0.00 H new ATOM 0 H61 DA B 16 0.126 2.927 0.330 1.00 0.00 H new ATOM 0 H62 DA B 16 1.473 2.543 -0.747 1.00 0.00 H new ATOM 0 H2 DA B 16 1.730 2.765 4.507 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.286 -1.061 4.047 1.00 0.00 N HETATM 506 C2 T41 B 17 1.981 -0.641 3.793 1.00 0.00 C HETATM 507 N3 T41 B 17 1.599 -0.605 2.461 1.00 0.00 N HETATM 508 C4 T41 B 17 2.382 -0.946 1.370 1.00 0.00 C HETATM 509 C5 T41 B 17 3.710 -1.399 1.723 1.00 0.00 C HETATM 510 C5M T41 B 17 4.671 -1.856 0.653 1.00 0.00 C HETATM 511 C6 T41 B 17 4.105 -1.435 3.013 1.00 0.00 C HETATM 512 O2 T41 B 17 1.189 -0.313 4.674 1.00 0.00 O HETATM 513 O4 T41 B 17 1.934 -0.851 0.230 1.00 0.00 O HETATM 514 C1' T41 B 17 3.772 -1.056 5.453 1.00 0.00 C HETATM 515 C2' T41 B 17 4.240 -2.352 6.037 1.00 0.00 C HETATM 516 O2' T41 B 17 5.082 -3.066 5.182 1.00 0.00 O HETATM 517 C3' T41 B 17 5.056 -1.910 7.243 1.00 0.00 C HETATM 518 C4' T41 B 17 5.557 -0.526 6.799 1.00 0.00 C HETATM 519 O3' T41 B 17 4.281 -1.722 8.418 1.00 0.00 O HETATM 520 O4' T41 B 17 4.842 -0.150 5.628 1.00 0.00 O HETATM 521 C5' T41 B 17 7.053 -0.492 6.464 1.00 0.00 C HETATM 522 O5' T41 B 17 7.389 -1.411 5.442 1.00 0.00 O HETATM 523 C6' T41 B 17 4.659 -4.386 5.226 1.00 0.00 C HETATM 524 P T41 B 17 8.849 -1.403 4.750 1.00 0.00 P HETATM 525 O1P T41 B 17 9.857 -1.628 5.810 1.00 0.00 O HETATM 526 O2P T41 B 17 8.805 -2.300 3.574 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.243 -2.703 0.117 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.853 -1.039 -0.045 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.612 -2.157 1.113 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.332 0.515 6.152 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.630 -0.720 7.360 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.397 -3.010 6.251 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.115 -1.775 3.242 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.394 0.155 7.634 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.812 -2.653 7.497 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.647 -0.297 2.264 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.734 -4.758 6.248 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.623 -4.447 4.893 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.287 -4.991 4.572 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.861 -0.776 5.981 1.00 0.00 H new ATOM 541 P DA B 18 3.603 -2.937 9.238 1.00 0.00 P ATOM 542 OP1 DA B 18 3.582 -2.565 10.671 1.00 0.00 O ATOM 543 OP2 DA B 18 4.239 -4.206 8.822 1.00 0.00 O ATOM 544 O5' DA B 18 2.084 -2.934 8.696 1.00 0.00 O ATOM 545 C5' DA B 18 1.157 -1.933 9.085 1.00 0.00 C ATOM 546 C4' DA B 18 -0.209 -2.226 8.455 1.00 0.00 C ATOM 547 O4' DA B 18 -0.056 -2.154 7.058 1.00 0.00 O ATOM 548 C3' DA B 18 -0.725 -3.628 8.806 1.00 0.00 C ATOM 549 O3' DA B 18 -1.954 -3.481 9.501 1.00 0.00 O ATOM 550 C2' DA B 18 -0.871 -4.259 7.423 1.00 0.00 C ATOM 551 C1' DA B 18 -0.981 -3.061 6.516 1.00 0.00 C ATOM 552 N9 DA B 18 -0.539 -3.319 5.131 1.00 0.00 N ATOM 553 C8 DA B 18 0.722 -3.681 4.732 1.00 0.00 C ATOM 554 N7 DA B 18 0.900 -3.686 3.443 1.00 0.00 N ATOM 555 C5 DA B 18 -0.340 -3.304 2.949 1.00 0.00 C ATOM 556 C6 DA B 18 -0.812 -3.074 1.644 1.00 0.00 C ATOM 557 N6 DA B 18 -0.051 -3.138 0.546 1.00 0.00 N ATOM 558 N1 DA B 18 -2.091 -2.708 1.496 1.00 0.00 N ATOM 559 C2 DA B 18 -2.885 -2.568 2.548 1.00 0.00 C ATOM 560 N3 DA B 18 -2.555 -2.736 3.831 1.00 0.00 N ATOM 561 C4 DA B 18 -1.245 -3.107 3.967 1.00 0.00 C ATOM 0 H5' DA B 18 1.512 -0.952 8.769 1.00 0.00 H new ATOM 0 H5'' DA B 18 1.070 -1.906 10.171 1.00 0.00 H new ATOM 0 H4' DA B 18 -0.927 -1.500 8.837 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.095 -4.236 9.455 1.00 0.00 H new ATOM 0 H2' DA B 18 -0.012 -4.880 7.170 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.754 -4.895 7.360 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.020 -2.735 6.466 1.00 0.00 H new ATOM 0 H8 DA B 18 1.504 -3.941 5.431 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.462 -2.959 -0.370 1.00 0.00 H new ATOM 0 H62 DA B 18 0.940 -3.366 0.625 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.908 -2.288 2.346 1.00 0.00 H new ATOM 573 P DT B 19 -2.910 -4.727 9.884 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.669 -4.371 11.103 1.00 0.00 O ATOM 575 OP2 DT B 19 -2.109 -5.972 9.850 1.00 0.00 O ATOM 576 O5' DT B 19 -3.935 -4.748 8.638 1.00 0.00 O ATOM 577 C5' DT B 19 -4.772 -3.639 8.366 1.00 0.00 C ATOM 578 C4' DT B 19 -5.634 -3.886 7.125 1.00 0.00 C ATOM 579 O4' DT B 19 -4.764 -4.004 6.011 1.00 0.00 O ATOM 580 C3' DT B 19 -6.442 -5.188 7.229 1.00 0.00 C ATOM 581 O3' DT B 19 -7.772 -4.899 6.825 1.00 0.00 O ATOM 582 C2' DT B 19 -5.720 -6.112 6.247 1.00 0.00 C ATOM 583 C1' DT B 19 -5.195 -5.112 5.247 1.00 0.00 C ATOM 584 N1 DT B 19 -4.104 -5.586 4.376 1.00 0.00 N ATOM 585 C2 DT B 19 -4.215 -5.533 2.991 1.00 0.00 C ATOM 586 O2 DT B 19 -5.243 -5.204 2.404 1.00 0.00 O ATOM 587 N3 DT B 19 -3.071 -5.880 2.288 1.00 0.00 N ATOM 588 C4 DT B 19 -1.857 -6.271 2.834 1.00 0.00 C ATOM 589 O4 DT B 19 -0.896 -6.492 2.100 1.00 0.00 O ATOM 590 C5 DT B 19 -1.862 -6.374 4.283 1.00 0.00 C ATOM 591 C7 DT B 19 -0.627 -6.879 5.003 1.00 0.00 C ATOM 592 C6 DT B 19 -2.972 -6.021 4.978 1.00 0.00 C ATOM 0 H5' DT B 19 -4.162 -2.748 8.217 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.414 -3.446 9.225 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.335 -3.057 7.025 1.00 0.00 H new ATOM 0 H3' DT B 19 -6.503 -5.634 8.222 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.920 -6.677 6.725 1.00 0.00 H new ATOM 0 H2'' DT B 19 -6.394 -6.837 5.791 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.995 -4.882 4.544 1.00 0.00 H new ATOM 0 H3 DT B 19 -3.128 -5.844 1.270 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.570 -6.423 5.991 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.684 -7.963 5.106 1.00 0.00 H new ATOM 0 H73 DT B 19 0.262 -6.615 4.430 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.952 -6.090 6.056 1.00 0.00 H new ATOM 605 P DG B 20 -8.952 -6.001 6.859 1.00 0.00 P ATOM 606 OP1 DG B 20 -10.231 -5.298 7.099 1.00 0.00 O ATOM 607 OP2 DG B 20 -8.539 -7.102 7.760 1.00 0.00 O ATOM 608 O5' DG B 20 -8.972 -6.558 5.344 1.00 0.00 O ATOM 609 C5' DG B 20 -9.147 -7.935 5.080 1.00 0.00 C ATOM 610 C4' DG B 20 -9.451 -8.173 3.595 1.00 0.00 C ATOM 611 O4' DG B 20 -8.292 -7.869 2.827 1.00 0.00 O ATOM 612 C3' DG B 20 -9.738 -9.657 3.371 1.00 0.00 C ATOM 613 O3' DG B 20 -10.619 -9.747 2.262 1.00 0.00 O ATOM 614 C2' DG B 20 -8.336 -10.183 3.089 1.00 0.00 C ATOM 615 C1' DG B 20 -7.824 -9.058 2.203 1.00 0.00 C ATOM 616 N9 DG B 20 -6.356 -8.962 2.110 1.00 0.00 N ATOM 617 C8 DG B 20 -5.448 -9.052 3.125 1.00 0.00 C ATOM 618 N7 DG B 20 -4.204 -8.953 2.744 1.00 0.00 N ATOM 619 C5 DG B 20 -4.293 -8.785 1.364 1.00 0.00 C ATOM 620 C6 DG B 20 -3.264 -8.681 0.376 1.00 0.00 C ATOM 621 O6 DG B 20 -2.050 -8.651 0.549 1.00 0.00 O ATOM 622 N1 DG B 20 -3.769 -8.610 -0.921 1.00 0.00 N ATOM 623 C2 DG B 20 -5.116 -8.616 -1.232 1.00 0.00 C ATOM 624 N2 DG B 20 -5.449 -8.562 -2.525 1.00 0.00 N ATOM 625 N3 DG B 20 -6.084 -8.693 -0.306 1.00 0.00 N ATOM 626 C4 DG B 20 -5.610 -8.783 0.967 1.00 0.00 C ATOM 0 H5' DG B 20 -9.962 -8.326 5.689 1.00 0.00 H new ATOM 0 H5'' DG B 20 -8.247 -8.481 5.363 1.00 0.00 H new ATOM 0 H4' DG B 20 -10.299 -7.553 3.305 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.218 -10.211 4.178 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.744 -10.306 3.996 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.344 -11.147 2.581 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.175 -9.230 1.185 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.735 -9.193 4.157 1.00 0.00 H new ATOM 0 H1 DG B 20 -3.102 -8.550 -1.690 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.431 -8.564 -2.799 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.721 -8.519 -3.238 1.00 0.00 H new ATOM 638 P DC B 21 -11.125 -11.148 1.636 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.561 -11.012 1.306 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.673 -12.256 2.506 1.00 0.00 O ATOM 641 O5' DC B 21 -10.292 -11.214 0.255 1.00 0.00 O ATOM 642 C5' DC B 21 -10.497 -10.254 -0.768 1.00 0.00 C ATOM 643 C4' DC B 21 -9.752 -10.624 -2.058 1.00 0.00 C ATOM 644 O4' DC B 21 -8.364 -10.496 -1.799 1.00 0.00 O ATOM 645 C3' DC B 21 -10.019 -12.073 -2.487 1.00 0.00 C ATOM 646 O3' DC B 21 -10.174 -12.104 -3.898 1.00 0.00 O ATOM 647 C2' DC B 21 -8.746 -12.775 -2.023 1.00 0.00 C ATOM 648 C1' DC B 21 -7.709 -11.674 -2.229 1.00 0.00 C ATOM 649 N1 DC B 21 -6.516 -11.841 -1.357 1.00 0.00 N ATOM 650 C2 DC B 21 -5.237 -11.807 -1.918 1.00 0.00 C ATOM 651 O2 DC B 21 -5.072 -11.738 -3.133 1.00 0.00 O ATOM 652 N3 DC B 21 -4.158 -11.851 -1.084 1.00 0.00 N ATOM 653 C4 DC B 21 -4.311 -11.928 0.245 1.00 0.00 C ATOM 654 N4 DC B 21 -3.226 -11.944 1.024 1.00 0.00 N ATOM 655 C5 DC B 21 -5.614 -11.937 0.843 1.00 0.00 C ATOM 656 C6 DC B 21 -6.674 -11.897 0.005 1.00 0.00 C ATOM 0 H5' DC B 21 -10.160 -9.277 -0.422 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.563 -10.168 -0.977 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.095 -9.966 -2.856 1.00 0.00 H new ATOM 0 H3' DC B 21 -10.917 -12.535 -2.077 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.807 -13.093 -0.982 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.526 -13.663 -2.615 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.366 -11.673 -3.264 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.327 -12.002 2.037 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.297 -11.898 0.605 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.743 -11.974 1.915 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.672 -11.909 0.418 1.00 0.00 H new ATOM 668 P DG B 22 -10.476 -13.468 -4.711 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.221 -13.117 -5.941 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.036 -14.467 -3.774 1.00 0.00 O ATOM 671 O5' DG B 22 -9.000 -13.957 -5.140 1.00 0.00 O ATOM 672 C5' DG B 22 -8.274 -13.288 -6.154 1.00 0.00 C ATOM 673 C4' DG B 22 -6.893 -13.922 -6.342 1.00 0.00 C ATOM 674 O4' DG B 22 -6.161 -13.747 -5.143 1.00 0.00 O ATOM 675 C3' DG B 22 -6.956 -15.435 -6.606 1.00 0.00 C ATOM 676 O3' DG B 22 -6.328 -15.741 -7.835 1.00 0.00 O ATOM 677 C2' DG B 22 -6.159 -16.029 -5.451 1.00 0.00 C ATOM 678 C1' DG B 22 -5.295 -14.854 -5.036 1.00 0.00 C ATOM 679 N9 DG B 22 -4.783 -14.932 -3.649 1.00 0.00 N ATOM 680 C8 DG B 22 -5.477 -15.084 -2.475 1.00 0.00 C ATOM 681 N7 DG B 22 -4.735 -15.027 -1.405 1.00 0.00 N ATOM 682 C5 DG B 22 -3.449 -14.832 -1.900 1.00 0.00 C ATOM 683 C6 DG B 22 -2.210 -14.662 -1.210 1.00 0.00 C ATOM 684 O6 DG B 22 -2.015 -14.632 0.002 1.00 0.00 O ATOM 685 N1 DG B 22 -1.131 -14.517 -2.080 1.00 0.00 N ATOM 686 C2 DG B 22 -1.234 -14.534 -3.459 1.00 0.00 C ATOM 687 N2 DG B 22 -0.108 -14.377 -4.162 1.00 0.00 N ATOM 688 N3 DG B 22 -2.401 -14.661 -4.108 1.00 0.00 N ATOM 689 C4 DG B 22 -3.467 -14.801 -3.274 1.00 0.00 C ATOM 0 H5' DG B 22 -8.164 -12.235 -5.894 1.00 0.00 H new ATOM 0 H5'' DG B 22 -8.828 -13.328 -7.092 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.433 -13.439 -7.204 1.00 0.00 H new ATOM 0 H3' DG B 22 -7.975 -15.817 -6.667 1.00 0.00 H new ATOM 0 H2' DG B 22 -6.804 -16.369 -4.641 1.00 0.00 H new ATOM 0 H2'' DG B 22 -5.562 -16.886 -5.764 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.372 -16.707 -7.993 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.403 -14.809 -5.661 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.545 -15.238 -2.441 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.204 -14.390 -1.673 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.138 -14.383 -5.182 1.00 0.00 H new ATOM 0 H22 DG B 22 0.781 -14.251 -3.679 1.00 0.00 H new TER 702 DG B 22