USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 147 hydrogens (0 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 DG O5' : rot 30:sc= 0.0131 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.267 9.411 11.368 1.00 0.00 O ATOM 2 C5' DG A 1 -4.401 8.891 12.027 1.00 0.00 C ATOM 3 C4' DG A 1 -4.874 7.607 11.339 1.00 0.00 C ATOM 4 O4' DG A 1 -5.196 7.899 9.988 1.00 0.00 O ATOM 5 C3' DG A 1 -3.800 6.506 11.334 1.00 0.00 C ATOM 6 O3' DG A 1 -4.392 5.278 11.729 1.00 0.00 O ATOM 7 C2' DG A 1 -3.367 6.488 9.871 1.00 0.00 C ATOM 8 C1' DG A 1 -4.676 6.857 9.191 1.00 0.00 C ATOM 9 N9 DG A 1 -4.448 7.311 7.804 1.00 0.00 N ATOM 10 C8 DG A 1 -3.766 8.419 7.367 1.00 0.00 C ATOM 11 N7 DG A 1 -3.696 8.525 6.070 1.00 0.00 N ATOM 12 C5 DG A 1 -4.391 7.412 5.609 1.00 0.00 C ATOM 13 C6 DG A 1 -4.654 6.986 4.273 1.00 0.00 C ATOM 14 O6 DG A 1 -4.292 7.520 3.229 1.00 0.00 O ATOM 15 N1 DG A 1 -5.413 5.818 4.231 1.00 0.00 N ATOM 16 C2 DG A 1 -5.842 5.120 5.345 1.00 0.00 C ATOM 17 N2 DG A 1 -6.509 3.980 5.140 1.00 0.00 N ATOM 18 N3 DG A 1 -5.588 5.518 6.600 1.00 0.00 N ATOM 19 C4 DG A 1 -4.865 6.669 6.663 1.00 0.00 C ATOM 0 H5' DG A 1 -5.202 9.630 12.024 1.00 0.00 H new ATOM 0 H5'' DG A 1 -4.161 8.685 13.070 1.00 0.00 H new ATOM 0 H4' DG A 1 -5.736 7.244 11.898 1.00 0.00 H new ATOM 0 H3' DG A 1 -2.964 6.668 12.015 1.00 0.00 H new ATOM 0 H2' DG A 1 -2.575 7.208 9.664 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.999 5.510 9.559 1.00 0.00 H new ATOM 0 HO5' DG A 1 -3.301 9.170 10.419 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.358 6.010 9.114 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.326 9.140 8.039 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.670 5.452 3.314 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.843 3.435 5.935 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.684 3.656 4.189 1.00 0.00 H new ATOM 32 P DC A 2 -3.540 3.910 11.865 1.00 0.00 P ATOM 33 OP1 DC A 2 -4.145 3.100 12.947 1.00 0.00 O ATOM 34 OP2 DC A 2 -2.103 4.258 11.924 1.00 0.00 O ATOM 35 O5' DC A 2 -3.817 3.165 10.459 1.00 0.00 O ATOM 36 C5' DC A 2 -5.082 2.602 10.162 1.00 0.00 C ATOM 37 C4' DC A 2 -5.048 1.878 8.813 1.00 0.00 C ATOM 38 O4' DC A 2 -4.762 2.789 7.769 1.00 0.00 O ATOM 39 C3' DC A 2 -3.994 0.759 8.754 1.00 0.00 C ATOM 40 O3' DC A 2 -4.654 -0.480 8.550 1.00 0.00 O ATOM 41 C2' DC A 2 -3.123 1.174 7.566 1.00 0.00 C ATOM 42 C1' DC A 2 -4.060 2.077 6.772 1.00 0.00 C ATOM 43 N1 DC A 2 -3.314 3.010 5.882 1.00 0.00 N ATOM 44 C2 DC A 2 -3.406 2.862 4.493 1.00 0.00 C ATOM 45 O2 DC A 2 -4.031 1.932 3.986 1.00 0.00 O ATOM 46 N3 DC A 2 -2.775 3.773 3.697 1.00 0.00 N ATOM 47 C4 DC A 2 -2.071 4.786 4.227 1.00 0.00 C ATOM 48 N4 DC A 2 -1.487 5.666 3.408 1.00 0.00 N ATOM 49 C5 DC A 2 -1.953 4.950 5.648 1.00 0.00 C ATOM 50 C6 DC A 2 -2.586 4.041 6.425 1.00 0.00 C ATOM 0 H5' DC A 2 -5.839 3.386 10.141 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.369 1.904 10.948 1.00 0.00 H new ATOM 0 H4' DC A 2 -6.036 1.433 8.693 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.398 0.631 9.658 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.225 1.702 7.886 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.796 0.314 6.982 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.712 1.509 6.108 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.948 6.442 3.793 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.580 5.562 2.398 1.00 0.00 H new ATOM 0 H5 DC A 2 -1.385 5.762 6.077 1.00 0.00 H new ATOM 0 H6 DC A 2 -2.517 4.128 7.499 1.00 0.00 H new ATOM 62 P DA A 3 -3.874 -1.896 8.556 1.00 0.00 P ATOM 63 OP1 DA A 3 -4.852 -2.954 8.894 1.00 0.00 O ATOM 64 OP2 DA A 3 -2.641 -1.752 9.362 1.00 0.00 O ATOM 65 O5' DA A 3 -3.448 -2.077 7.012 1.00 0.00 O ATOM 66 C5' DA A 3 -4.416 -2.344 6.015 1.00 0.00 C ATOM 67 C4' DA A 3 -3.778 -2.319 4.624 1.00 0.00 C ATOM 68 O4' DA A 3 -3.286 -1.024 4.326 1.00 0.00 O ATOM 69 C3' DA A 3 -2.608 -3.305 4.458 1.00 0.00 C ATOM 70 O3' DA A 3 -2.961 -4.283 3.491 1.00 0.00 O ATOM 71 C2' DA A 3 -1.469 -2.392 3.996 1.00 0.00 C ATOM 72 C1' DA A 3 -2.224 -1.203 3.416 1.00 0.00 C ATOM 73 N9 DA A 3 -1.379 0.010 3.323 1.00 0.00 N ATOM 74 C8 DA A 3 -0.846 0.768 4.337 1.00 0.00 C ATOM 75 N7 DA A 3 -0.196 1.825 3.934 1.00 0.00 N ATOM 76 C5 DA A 3 -0.294 1.762 2.548 1.00 0.00 C ATOM 77 C6 DA A 3 0.161 2.602 1.507 1.00 0.00 C ATOM 78 N6 DA A 3 0.810 3.752 1.716 1.00 0.00 N ATOM 79 N1 DA A 3 -0.093 2.239 0.237 1.00 0.00 N ATOM 80 C2 DA A 3 -0.769 1.118 0.004 1.00 0.00 C ATOM 81 N3 DA A 3 -1.264 0.256 0.888 1.00 0.00 N ATOM 82 C4 DA A 3 -0.994 0.643 2.164 1.00 0.00 C ATOM 0 H5' DA A 3 -5.214 -1.604 6.068 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.872 -3.318 6.195 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.575 -2.616 3.942 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.337 -3.866 5.353 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.821 -2.099 4.822 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.837 -2.875 3.251 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.556 -1.379 2.393 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.956 0.511 5.380 1.00 0.00 H new ATOM 0 H61 DA A 3 1.115 4.317 0.923 1.00 0.00 H new ATOM 0 H62 DA A 3 1.001 4.064 2.668 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.938 0.877 -1.035 1.00 0.00 H new ATOM 94 P DT A 4 -1.975 -5.494 3.067 1.00 0.00 P ATOM 95 OP1 DT A 4 -2.809 -6.674 2.744 1.00 0.00 O ATOM 96 OP2 DT A 4 -0.901 -5.608 4.079 1.00 0.00 O ATOM 97 O5' DT A 4 -1.319 -4.949 1.697 1.00 0.00 O ATOM 98 C5' DT A 4 -2.102 -4.784 0.529 1.00 0.00 C ATOM 99 C4' DT A 4 -1.257 -4.237 -0.623 1.00 0.00 C ATOM 100 O4' DT A 4 -0.754 -2.958 -0.284 1.00 0.00 O ATOM 101 C3' DT A 4 -0.058 -5.132 -0.985 1.00 0.00 C ATOM 102 O3' DT A 4 -0.136 -5.446 -2.368 1.00 0.00 O ATOM 103 C2' DT A 4 1.134 -4.237 -0.643 1.00 0.00 C ATOM 104 C1' DT A 4 0.535 -2.849 -0.849 1.00 0.00 C ATOM 105 N1 DT A 4 1.306 -1.772 -0.169 1.00 0.00 N ATOM 106 C2 DT A 4 1.833 -0.729 -0.932 1.00 0.00 C ATOM 107 O2 DT A 4 1.711 -0.651 -2.152 1.00 0.00 O ATOM 108 N3 DT A 4 2.522 0.252 -0.236 1.00 0.00 N ATOM 109 C4 DT A 4 2.710 0.304 1.137 1.00 0.00 C ATOM 110 O4 DT A 4 3.338 1.232 1.638 1.00 0.00 O ATOM 111 C5 DT A 4 2.107 -0.798 1.863 1.00 0.00 C ATOM 112 C7 DT A 4 2.231 -0.861 3.373 1.00 0.00 C ATOM 113 C6 DT A 4 1.440 -1.777 1.201 1.00 0.00 C ATOM 0 H5' DT A 4 -2.929 -4.104 0.734 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.540 -5.740 0.242 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.921 -4.197 -1.487 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.003 -6.088 -0.464 1.00 0.00 H new ATOM 0 H2' DT A 4 1.481 -4.387 0.379 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.986 -4.419 -1.299 1.00 0.00 H new ATOM 0 H1' DT A 4 0.538 -2.569 -1.902 1.00 0.00 H new ATOM 0 H3 DT A 4 2.930 1.008 -0.786 1.00 0.00 H new ATOM 0 H71 DT A 4 1.358 -1.364 3.789 1.00 0.00 H new ATOM 0 H72 DT A 4 3.131 -1.414 3.641 1.00 0.00 H new ATOM 0 H73 DT A 4 2.293 0.150 3.775 1.00 0.00 H new ATOM 0 H6 DT A 4 1.001 -2.585 1.767 1.00 0.00 H new ATOM 126 P DC A 5 0.945 -6.379 -3.130 1.00 0.00 P ATOM 127 OP1 DC A 5 0.255 -7.063 -4.247 1.00 0.00 O ATOM 128 OP2 DC A 5 1.677 -7.175 -2.120 1.00 0.00 O ATOM 129 O5' DC A 5 1.961 -5.290 -3.753 1.00 0.00 O ATOM 130 C5' DC A 5 1.593 -4.509 -4.874 1.00 0.00 C ATOM 131 C4' DC A 5 2.614 -3.397 -5.125 1.00 0.00 C ATOM 132 O4' DC A 5 2.887 -2.698 -3.924 1.00 0.00 O ATOM 133 C3' DC A 5 3.962 -3.876 -5.694 1.00 0.00 C ATOM 134 O3' DC A 5 4.076 -3.462 -7.049 1.00 0.00 O ATOM 135 C2' DC A 5 4.978 -3.182 -4.785 1.00 0.00 C ATOM 136 C1' DC A 5 4.149 -2.103 -4.107 1.00 0.00 C ATOM 137 N1 DC A 5 4.749 -1.599 -2.840 1.00 0.00 N ATOM 138 C2 DC A 5 5.365 -0.344 -2.849 1.00 0.00 C ATOM 139 O2 DC A 5 5.528 0.285 -3.891 1.00 0.00 O ATOM 140 N3 DC A 5 5.799 0.180 -1.669 1.00 0.00 N ATOM 141 C4 DC A 5 5.653 -0.486 -0.517 1.00 0.00 C ATOM 142 N4 DC A 5 6.102 0.081 0.607 1.00 0.00 N ATOM 143 C5 DC A 5 5.046 -1.787 -0.482 1.00 0.00 C ATOM 144 C6 DC A 5 4.612 -2.297 -1.661 1.00 0.00 C ATOM 0 H5' DC A 5 0.608 -4.073 -4.710 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.518 -5.145 -5.756 1.00 0.00 H new ATOM 0 H4' DC A 5 2.145 -2.761 -5.876 1.00 0.00 H new ATOM 0 H3' DC A 5 4.096 -4.958 -5.705 1.00 0.00 H new ATOM 0 H2' DC A 5 5.410 -3.873 -4.061 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.805 -2.758 -5.354 1.00 0.00 H new ATOM 0 H1' DC A 5 4.091 -1.200 -4.715 1.00 0.00 H new ATOM 0 H41 DC A 5 6.003 -0.405 1.498 1.00 0.00 H new ATOM 0 H42 DC A 5 6.543 1.000 0.573 1.00 0.00 H new ATOM 0 H5 DC A 5 4.940 -2.335 0.443 1.00 0.00 H new ATOM 0 H6 DC A 5 4.149 -3.272 -1.676 1.00 0.00 H new ATOM 156 P DG A 6 5.275 -3.955 -8.026 1.00 0.00 P ATOM 157 OP1 DG A 6 4.889 -3.629 -9.417 1.00 0.00 O ATOM 158 OP2 DG A 6 5.618 -5.351 -7.673 1.00 0.00 O ATOM 159 O5' DG A 6 6.530 -3.020 -7.630 1.00 0.00 O ATOM 160 C5' DG A 6 6.561 -1.641 -7.946 1.00 0.00 C ATOM 161 C4' DG A 6 7.805 -0.957 -7.360 1.00 0.00 C ATOM 162 O4' DG A 6 7.802 -1.065 -5.945 1.00 0.00 O ATOM 163 C3' DG A 6 9.128 -1.558 -7.851 1.00 0.00 C ATOM 164 O3' DG A 6 10.065 -0.492 -7.902 1.00 0.00 O ATOM 165 C2' DG A 6 9.439 -2.560 -6.740 1.00 0.00 C ATOM 166 C1' DG A 6 8.965 -1.762 -5.531 1.00 0.00 C ATOM 167 N9 DG A 6 8.658 -2.562 -4.324 1.00 0.00 N ATOM 168 C8 DG A 6 8.180 -3.846 -4.217 1.00 0.00 C ATOM 169 N7 DG A 6 7.892 -4.209 -2.998 1.00 0.00 N ATOM 170 C5 DG A 6 8.207 -3.093 -2.233 1.00 0.00 C ATOM 171 C6 DG A 6 8.112 -2.886 -0.823 1.00 0.00 C ATOM 172 O6 DG A 6 7.685 -3.662 0.029 1.00 0.00 O ATOM 173 N1 DG A 6 8.579 -1.631 -0.435 1.00 0.00 N ATOM 174 C2 DG A 6 9.070 -0.676 -1.308 1.00 0.00 C ATOM 175 N2 DG A 6 9.493 0.482 -0.786 1.00 0.00 N ATOM 176 N3 DG A 6 9.137 -0.866 -2.634 1.00 0.00 N ATOM 177 C4 DG A 6 8.696 -2.089 -3.033 1.00 0.00 C ATOM 0 H5' DG A 6 5.663 -1.158 -7.560 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.551 -1.514 -9.029 1.00 0.00 H new ATOM 0 H4' DG A 6 7.748 0.079 -7.695 1.00 0.00 H new ATOM 0 H3' DG A 6 9.127 -2.031 -8.833 1.00 0.00 H new ATOM 0 H2' DG A 6 8.897 -3.498 -6.860 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.499 -2.809 -6.687 1.00 0.00 H new ATOM 0 H1' DG A 6 9.782 -1.110 -5.223 1.00 0.00 H new ATOM 0 H8 DG A 6 8.054 -4.498 -5.069 1.00 0.00 H new ATOM 0 H1 DG A 6 8.557 -1.401 0.559 1.00 0.00 H new ATOM 0 H21 DG A 6 9.862 1.212 -1.396 1.00 0.00 H new ATOM 0 H22 DG A 6 9.446 0.634 0.221 1.00 0.00 H new ATOM 189 P DA A 7 11.586 -0.661 -8.418 1.00 0.00 P ATOM 190 OP1 DA A 7 11.830 0.354 -9.468 1.00 0.00 O ATOM 191 OP2 DA A 7 11.846 -2.090 -8.701 1.00 0.00 O ATOM 192 O5' DA A 7 12.427 -0.245 -7.104 1.00 0.00 O ATOM 193 C5' DA A 7 12.489 1.101 -6.666 1.00 0.00 C ATOM 194 C4' DA A 7 13.249 1.200 -5.340 1.00 0.00 C ATOM 195 O4' DA A 7 12.541 0.441 -4.373 1.00 0.00 O ATOM 196 C3' DA A 7 14.678 0.643 -5.448 1.00 0.00 C ATOM 197 O3' DA A 7 15.685 1.547 -4.996 1.00 0.00 O ATOM 198 C2' DA A 7 14.603 -0.675 -4.681 1.00 0.00 C ATOM 199 C1' DA A 7 13.422 -0.459 -3.730 1.00 0.00 C ATOM 200 N9 DA A 7 12.699 -1.714 -3.420 1.00 0.00 N ATOM 201 C8 DA A 7 12.226 -2.667 -4.286 1.00 0.00 C ATOM 202 N7 DA A 7 11.619 -3.666 -3.708 1.00 0.00 N ATOM 203 C5 DA A 7 11.676 -3.347 -2.357 1.00 0.00 C ATOM 204 C6 DA A 7 11.203 -3.993 -1.196 1.00 0.00 C ATOM 205 N6 DA A 7 10.543 -5.156 -1.231 1.00 0.00 N ATOM 206 N1 DA A 7 11.401 -3.397 -0.004 1.00 0.00 N ATOM 207 C2 DA A 7 12.038 -2.229 0.036 1.00 0.00 C ATOM 208 N3 DA A 7 12.533 -1.524 -0.979 1.00 0.00 N ATOM 209 C4 DA A 7 12.317 -2.147 -2.170 1.00 0.00 C ATOM 0 H5' DA A 7 11.481 1.497 -6.544 1.00 0.00 H new ATOM 0 H5'' DA A 7 12.982 1.713 -7.421 1.00 0.00 H new ATOM 0 H4' DA A 7 13.321 2.251 -5.062 1.00 0.00 H new ATOM 0 H3' DA A 7 14.994 0.489 -6.480 1.00 0.00 H new ATOM 0 H2' DA A 7 14.434 -1.520 -5.348 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.526 -0.878 -4.138 1.00 0.00 H new ATOM 0 H1' DA A 7 13.795 -0.074 -2.781 1.00 0.00 H new ATOM 0 H8 DA A 7 12.346 -2.596 -5.357 1.00 0.00 H new ATOM 0 H61 DA A 7 10.220 -5.585 -0.364 1.00 0.00 H new ATOM 0 H62 DA A 7 10.363 -5.613 -2.125 1.00 0.00 H new ATOM 0 H2 DA A 7 12.170 -1.798 1.017 1.00 0.00 H new ATOM 221 P DC A 8 15.882 2.024 -3.460 1.00 0.00 P ATOM 222 OP1 DC A 8 16.785 1.062 -2.791 1.00 0.00 O ATOM 223 OP2 DC A 8 14.560 2.320 -2.869 1.00 0.00 O ATOM 224 O5' DC A 8 16.683 3.420 -3.643 1.00 0.00 O ATOM 225 C5' DC A 8 16.463 4.525 -2.782 1.00 0.00 C ATOM 226 C4' DC A 8 15.504 5.542 -3.420 1.00 0.00 C ATOM 227 O4' DC A 8 14.344 4.894 -3.926 1.00 0.00 O ATOM 228 C3' DC A 8 15.019 6.571 -2.388 1.00 0.00 C ATOM 229 O3' DC A 8 14.799 7.807 -3.060 1.00 0.00 O ATOM 230 C2' DC A 8 13.738 5.887 -1.912 1.00 0.00 C ATOM 231 C1' DC A 8 13.206 5.402 -3.261 1.00 0.00 C ATOM 232 N1 DC A 8 12.056 4.451 -3.359 1.00 0.00 N ATOM 233 C2 DC A 8 11.725 3.537 -2.344 1.00 0.00 C ATOM 234 O2 DC A 8 12.263 3.557 -1.241 1.00 0.00 O ATOM 235 N3 DC A 8 10.755 2.607 -2.594 1.00 0.00 N ATOM 236 C4 DC A 8 10.125 2.566 -3.776 1.00 0.00 C ATOM 237 N4 DC A 8 9.215 1.614 -3.993 1.00 0.00 N ATOM 238 C5 DC A 8 10.395 3.527 -4.804 1.00 0.00 C ATOM 239 C6 DC A 8 11.365 4.432 -4.548 1.00 0.00 C ATOM 0 H5' DC A 8 17.413 5.009 -2.556 1.00 0.00 H new ATOM 0 H5'' DC A 8 16.050 4.176 -1.835 1.00 0.00 H new ATOM 0 H4' DC A 8 16.059 6.032 -4.220 1.00 0.00 H new ATOM 0 H3' DC A 8 15.689 6.818 -1.564 1.00 0.00 H new ATOM 0 H2' DC A 8 13.931 5.069 -1.218 1.00 0.00 H new ATOM 0 H2'' DC A 8 13.055 6.574 -1.413 1.00 0.00 H new ATOM 0 H1' DC A 8 12.715 6.269 -3.703 1.00 0.00 H new ATOM 0 H41 DC A 8 8.727 1.569 -4.888 1.00 0.00 H new ATOM 0 H42 DC A 8 9.008 0.931 -3.264 1.00 0.00 H new ATOM 0 H5 DC A 8 9.850 3.528 -5.737 1.00 0.00 H new ATOM 0 H6 DC A 8 11.606 5.166 -5.303 1.00 0.00 H new ATOM 251 P DG A 9 14.072 9.085 -2.376 1.00 0.00 P ATOM 252 OP1 DG A 9 14.545 10.302 -3.073 1.00 0.00 O ATOM 253 OP2 DG A 9 14.215 8.979 -0.907 1.00 0.00 O ATOM 254 O5' DG A 9 12.515 8.862 -2.762 1.00 0.00 O ATOM 255 C5' DG A 9 12.088 8.949 -4.110 1.00 0.00 C ATOM 256 C4' DG A 9 10.644 8.464 -4.301 1.00 0.00 C ATOM 257 O4' DG A 9 10.278 7.407 -3.428 1.00 0.00 O ATOM 258 C3' DG A 9 9.561 9.554 -4.171 1.00 0.00 C ATOM 259 O3' DG A 9 9.065 9.779 -5.484 1.00 0.00 O ATOM 260 C2' DG A 9 8.554 8.904 -3.210 1.00 0.00 C ATOM 261 C1' DG A 9 8.865 7.428 -3.390 1.00 0.00 C ATOM 262 N9 DG A 9 8.307 6.564 -2.323 1.00 0.00 N ATOM 263 C8 DG A 9 8.215 6.778 -0.968 1.00 0.00 C ATOM 264 N7 DG A 9 7.768 5.755 -0.296 1.00 0.00 N ATOM 265 C5 DG A 9 7.501 4.804 -1.273 1.00 0.00 C ATOM 266 C6 DG A 9 6.972 3.484 -1.154 1.00 0.00 C ATOM 267 O6 DG A 9 6.726 2.857 -0.126 1.00 0.00 O ATOM 268 N1 DG A 9 6.724 2.900 -2.394 1.00 0.00 N ATOM 269 C2 DG A 9 6.938 3.523 -3.610 1.00 0.00 C ATOM 270 N2 DG A 9 6.563 2.872 -4.716 1.00 0.00 N ATOM 271 N3 DG A 9 7.498 4.736 -3.721 1.00 0.00 N ATOM 272 C4 DG A 9 7.756 5.321 -2.521 1.00 0.00 C ATOM 0 H5' DG A 9 12.753 8.356 -4.738 1.00 0.00 H new ATOM 0 H5'' DG A 9 12.169 9.982 -4.447 1.00 0.00 H new ATOM 0 H4' DG A 9 10.669 8.116 -5.334 1.00 0.00 H new ATOM 0 H3' DG A 9 9.864 10.528 -3.788 1.00 0.00 H new ATOM 0 H2' DG A 9 8.701 9.231 -2.181 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.524 9.141 -3.475 1.00 0.00 H new ATOM 0 H1' DG A 9 8.403 7.015 -4.287 1.00 0.00 H new ATOM 0 H8 DG A 9 8.489 7.713 -0.501 1.00 0.00 H new ATOM 0 H1 DG A 9 6.360 1.947 -2.406 1.00 0.00 H new ATOM 0 H21 DG A 9 6.704 3.299 -5.632 1.00 0.00 H new ATOM 0 H22 DG A 9 6.136 1.949 -4.644 1.00 0.00 H new ATOM 284 P DA A 10 7.680 10.535 -5.823 1.00 0.00 P ATOM 285 OP1 DA A 10 7.820 11.187 -7.143 1.00 0.00 O ATOM 286 OP2 DA A 10 7.259 11.332 -4.649 1.00 0.00 O ATOM 287 O5' DA A 10 6.688 9.271 -5.985 1.00 0.00 O ATOM 288 C5' DA A 10 6.932 8.284 -6.974 1.00 0.00 C ATOM 289 C4' DA A 10 5.870 7.182 -6.940 1.00 0.00 C ATOM 290 O4' DA A 10 5.879 6.509 -5.693 1.00 0.00 O ATOM 291 C3' DA A 10 4.446 7.711 -7.170 1.00 0.00 C ATOM 292 O3' DA A 10 3.905 7.066 -8.312 1.00 0.00 O ATOM 293 C2' DA A 10 3.740 7.321 -5.872 1.00 0.00 C ATOM 294 C1' DA A 10 4.551 6.108 -5.435 1.00 0.00 C ATOM 295 N9 DA A 10 4.358 5.794 -4.002 1.00 0.00 N ATOM 296 C8 DA A 10 4.651 6.575 -2.911 1.00 0.00 C ATOM 297 N7 DA A 10 4.405 6.008 -1.764 1.00 0.00 N ATOM 298 C5 DA A 10 3.920 4.754 -2.115 1.00 0.00 C ATOM 299 C6 DA A 10 3.499 3.643 -1.356 1.00 0.00 C ATOM 300 N6 DA A 10 3.483 3.649 -0.020 1.00 0.00 N ATOM 301 N1 DA A 10 3.100 2.532 -2.007 1.00 0.00 N ATOM 302 C2 DA A 10 3.107 2.529 -3.338 1.00 0.00 C ATOM 303 N3 DA A 10 3.470 3.508 -4.164 1.00 0.00 N ATOM 304 C4 DA A 10 3.880 4.612 -3.480 1.00 0.00 C ATOM 0 H5' DA A 10 7.918 7.846 -6.817 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.943 8.750 -7.959 1.00 0.00 H new ATOM 0 H4' DA A 10 6.131 6.505 -7.754 1.00 0.00 H new ATOM 0 H3' DA A 10 4.361 8.780 -7.367 1.00 0.00 H new ATOM 0 H2' DA A 10 3.770 8.122 -5.133 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.690 7.075 -6.034 1.00 0.00 H new ATOM 0 H1' DA A 10 4.259 5.197 -5.958 1.00 0.00 H new ATOM 0 H8 DA A 10 5.051 7.574 -2.997 1.00 0.00 H new ATOM 0 H61 DA A 10 3.171 2.823 0.490 1.00 0.00 H new ATOM 0 H62 DA A 10 3.783 4.480 0.490 1.00 0.00 H new ATOM 0 H2 DA A 10 2.776 1.615 -3.808 1.00 0.00 H new ATOM 316 P DT A 11 2.418 7.373 -8.869 1.00 0.00 P ATOM 317 OP1 DT A 11 2.433 7.197 -10.338 1.00 0.00 O ATOM 318 OP2 DT A 11 1.948 8.649 -8.285 1.00 0.00 O ATOM 319 O5' DT A 11 1.552 6.176 -8.224 1.00 0.00 O ATOM 320 C5' DT A 11 1.727 4.836 -8.647 1.00 0.00 C ATOM 321 C4' DT A 11 0.791 3.904 -7.872 1.00 0.00 C ATOM 322 O4' DT A 11 1.102 3.955 -6.491 1.00 0.00 O ATOM 323 C3' DT A 11 -0.693 4.271 -8.032 1.00 0.00 C ATOM 324 O3' DT A 11 -1.398 3.149 -8.542 1.00 0.00 O ATOM 325 C2' DT A 11 -1.110 4.631 -6.604 1.00 0.00 C ATOM 326 C1' DT A 11 -0.107 3.830 -5.775 1.00 0.00 C ATOM 327 N1 DT A 11 0.069 4.352 -4.390 1.00 0.00 N ATOM 328 C2 DT A 11 -0.176 3.503 -3.309 1.00 0.00 C ATOM 329 O2 DT A 11 -0.593 2.354 -3.430 1.00 0.00 O ATOM 330 N3 DT A 11 0.078 4.029 -2.050 1.00 0.00 N ATOM 331 C4 DT A 11 0.551 5.301 -1.768 1.00 0.00 C ATOM 332 O4 DT A 11 0.761 5.633 -0.603 1.00 0.00 O ATOM 333 C5 DT A 11 0.770 6.125 -2.944 1.00 0.00 C ATOM 334 C7 DT A 11 1.261 7.552 -2.792 1.00 0.00 C ATOM 335 C6 DT A 11 0.529 5.631 -4.185 1.00 0.00 C ATOM 0 H5' DT A 11 2.762 4.532 -8.493 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.527 4.756 -9.715 1.00 0.00 H new ATOM 0 H4' DT A 11 0.943 2.906 -8.284 1.00 0.00 H new ATOM 0 H3' DT A 11 -0.895 5.086 -8.728 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.035 5.702 -6.414 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.139 4.341 -6.393 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.447 2.802 -5.646 1.00 0.00 H new ATOM 0 H3 DT A 11 -0.101 3.419 -1.253 1.00 0.00 H new ATOM 0 H71 DT A 11 1.853 7.828 -3.665 1.00 0.00 H new ATOM 0 H72 DT A 11 0.407 8.223 -2.706 1.00 0.00 H new ATOM 0 H73 DT A 11 1.877 7.631 -1.896 1.00 0.00 H new ATOM 0 H6 DT A 11 0.705 6.265 -5.041 1.00 0.00 H new ATOM 348 P DG A 12 -2.967 3.214 -8.932 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.211 2.238 -10.018 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.349 4.631 -9.121 1.00 0.00 O ATOM 351 O5' DG A 12 -3.694 2.675 -7.596 1.00 0.00 O ATOM 352 C5' DG A 12 -3.708 1.298 -7.272 1.00 0.00 C ATOM 353 C4' DG A 12 -4.463 1.058 -5.962 1.00 0.00 C ATOM 354 O4' DG A 12 -3.735 1.603 -4.873 1.00 0.00 O ATOM 355 C3' DG A 12 -5.863 1.700 -5.950 1.00 0.00 C ATOM 356 O3' DG A 12 -6.813 0.725 -5.542 1.00 0.00 O ATOM 357 C2' DG A 12 -5.687 2.814 -4.920 1.00 0.00 C ATOM 358 C1' DG A 12 -4.674 2.166 -3.984 1.00 0.00 C ATOM 359 N9 DG A 12 -4.022 3.125 -3.063 1.00 0.00 N ATOM 360 C8 DG A 12 -3.447 4.339 -3.347 1.00 0.00 C ATOM 361 N7 DG A 12 -2.905 4.926 -2.319 1.00 0.00 N ATOM 362 C5 DG A 12 -3.125 4.037 -1.273 1.00 0.00 C ATOM 363 C6 DG A 12 -2.749 4.125 0.100 1.00 0.00 C ATOM 364 O6 DG A 12 -2.098 5.012 0.644 1.00 0.00 O ATOM 365 N1 DG A 12 -3.213 3.048 0.852 1.00 0.00 N ATOM 366 C2 DG A 12 -3.944 1.994 0.335 1.00 0.00 C ATOM 367 N2 DG A 12 -4.372 1.063 1.195 1.00 0.00 N ATOM 368 N3 DG A 12 -4.260 1.890 -0.965 1.00 0.00 N ATOM 369 C4 DG A 12 -3.828 2.941 -1.714 1.00 0.00 C ATOM 0 H5' DG A 12 -2.686 0.930 -7.181 1.00 0.00 H new ATOM 0 H5'' DG A 12 -4.179 0.735 -8.077 1.00 0.00 H new ATOM 0 H4' DG A 12 -4.573 -0.023 -5.871 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.221 2.076 -6.909 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.311 3.735 -5.365 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.620 3.062 -4.414 1.00 0.00 H new ATOM 0 H1' DG A 12 -5.147 1.445 -3.317 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.445 4.770 -4.337 1.00 0.00 H new ATOM 0 H1 DG A 12 -3.000 3.036 1.849 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.915 0.268 0.858 1.00 0.00 H new ATOM 0 H22 DG A 12 -4.156 1.148 2.188 1.00 0.00 H new ATOM 381 P DC A 13 -8.387 1.056 -5.365 1.00 0.00 P ATOM 382 OP1 DC A 13 -9.148 -0.193 -5.586 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.710 2.265 -6.154 1.00 0.00 O ATOM 384 O5' DC A 13 -8.487 1.436 -3.799 1.00 0.00 O ATOM 385 C5' DC A 13 -8.372 0.444 -2.798 1.00 0.00 C ATOM 386 C4' DC A 13 -8.401 1.070 -1.401 1.00 0.00 C ATOM 387 O4' DC A 13 -7.312 1.945 -1.203 1.00 0.00 O ATOM 388 C3' DC A 13 -9.641 1.919 -1.109 1.00 0.00 C ATOM 389 O3' DC A 13 -10.678 1.138 -0.552 1.00 0.00 O ATOM 390 C2' DC A 13 -9.125 2.958 -0.111 1.00 0.00 C ATOM 391 C1' DC A 13 -7.620 2.679 -0.036 1.00 0.00 C ATOM 392 N1 DC A 13 -6.822 3.930 0.049 1.00 0.00 N ATOM 393 C2 DC A 13 -6.214 4.270 1.259 1.00 0.00 C ATOM 394 O2 DC A 13 -6.345 3.574 2.264 1.00 0.00 O ATOM 395 N3 DC A 13 -5.469 5.409 1.313 1.00 0.00 N ATOM 396 C4 DC A 13 -5.306 6.190 0.234 1.00 0.00 C ATOM 397 N4 DC A 13 -4.551 7.288 0.341 1.00 0.00 N ATOM 398 C5 DC A 13 -5.928 5.864 -1.018 1.00 0.00 C ATOM 399 C6 DC A 13 -6.673 4.734 -1.055 1.00 0.00 C ATOM 0 H5' DC A 13 -7.442 -0.109 -2.934 1.00 0.00 H new ATOM 0 H5'' DC A 13 -9.187 -0.273 -2.896 1.00 0.00 H new ATOM 0 H4' DC A 13 -8.379 0.202 -0.742 1.00 0.00 H new ATOM 0 H3' DC A 13 -10.073 2.367 -2.004 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.327 3.974 -0.451 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.601 2.848 0.863 1.00 0.00 H new ATOM 0 HO3' DC A 13 -11.456 1.706 -0.374 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.369 2.122 0.867 1.00 0.00 H new ATOM 0 H41 DC A 13 -4.415 7.894 -0.468 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.111 7.519 1.232 1.00 0.00 H new ATOM 0 H5 DC A 13 -5.807 6.491 -1.889 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.163 4.457 -1.977 1.00 0.00 H new TER 412 DC A 13