USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 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 10 DT C7 :methyl 150:sc= -1.8 (180deg=-1.8) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -2.84 (180deg=-4.55!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -11.231 -12.452 -9.748 1.00 0.00 C HETATM 2 C4' XTY A 1 -10.704 -11.376 -8.800 1.00 0.00 C HETATM 3 O4' XTY A 1 -9.272 -11.350 -8.877 1.00 0.00 O HETATM 4 C3' XTY A 1 -11.147 -9.956 -9.134 1.00 0.00 C HETATM 5 C2' XTY A 1 -9.979 -9.387 -9.923 1.00 0.00 C HETATM 6 C1' XTY A 1 -8.785 -10.052 -9.248 1.00 0.00 C HETATM 7 O5' XTY A 1 -11.656 -11.897 -10.996 1.00 0.00 O HETATM 8 C2 XTY A 1 -7.326 -13.842 -10.426 1.00 0.00 C HETATM 9 O2 XTY A 1 -7.816 -14.864 -9.956 1.00 0.00 O HETATM 10 N3 XTY A 1 -6.287 -13.897 -11.337 1.00 0.00 N HETATM 11 C4 XTY A 1 -5.681 -12.793 -11.896 1.00 0.00 C HETATM 12 O4 XTY A 1 -4.752 -12.926 -12.691 1.00 0.00 O HETATM 13 C5 XTY A 1 -6.150 -11.530 -11.516 1.00 0.00 C HETATM 14 C6 XTY A 1 -7.215 -11.442 -10.582 1.00 0.00 C HETATM 15 N XTY A 1 -7.792 -12.591 -10.046 1.00 0.00 N HETATM 16 CP XTY A 1 -5.564 -10.367 -12.058 1.00 0.00 C HETATM 17 CD XTY A 1 -7.102 -9.016 -10.746 1.00 0.00 C HETATM 18 C8 XTY A 1 -7.712 -10.167 -10.181 1.00 0.00 C HETATM 19 C7 XTY A 1 -6.043 -9.117 -11.668 1.00 0.00 C HETATM 20 C7A XTY A 1 -5.420 -7.850 -12.249 1.00 0.00 C HETATM 21 O3' XTY A 1 -11.214 -9.238 -7.898 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -4.360 -7.818 -11.998 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -5.536 -7.852 -13.333 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -5.919 -6.975 -11.832 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -10.452 -13.193 -9.926 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -12.065 -12.973 -9.279 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -10.041 -9.638 -10.982 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -9.932 -8.300 -9.856 1.00 0.00 H new HETATM 0 HP XTY A 1 -4.746 -10.445 -12.774 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -5.946 -14.818 -11.614 1.00 0.00 H new HETATM 0 HN XTY A 1 -8.556 -12.513 -9.375 1.00 0.00 H new HETATM 0 HD XTY A 1 -7.463 -8.029 -10.458 1.00 0.00 H new HETATM 0 H4' XTY A 1 -11.102 -11.645 -7.821 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.098 -9.904 -9.664 1.00 0.00 H new HETATM 0 H1' XTY A 1 -8.407 -9.492 -8.393 1.00 0.00 H new ATOM 37 P DG A 2 -12.576 -9.214 -7.036 1.00 0.00 P ATOM 38 OP1 DG A 2 -13.343 -8.008 -7.418 1.00 0.00 O ATOM 39 OP2 DG A 2 -13.208 -10.551 -7.126 1.00 0.00 O ATOM 40 O5' DG A 2 -12.035 -9.011 -5.532 1.00 0.00 O ATOM 41 C5' DG A 2 -11.627 -10.132 -4.739 1.00 0.00 C ATOM 42 C4' DG A 2 -10.713 -9.710 -3.591 1.00 0.00 C ATOM 43 O4' DG A 2 -9.348 -9.854 -4.008 1.00 0.00 O ATOM 44 C3' DG A 2 -10.849 -8.251 -3.170 1.00 0.00 C ATOM 45 O3' DG A 2 -10.449 -8.166 -1.800 1.00 0.00 O ATOM 46 C2' DG A 2 -9.793 -7.533 -3.995 1.00 0.00 C ATOM 47 C1' DG A 2 -8.687 -8.584 -4.089 1.00 0.00 C ATOM 48 N9 DG A 2 -7.950 -8.526 -5.371 1.00 0.00 N ATOM 49 C8 DG A 2 -8.245 -7.802 -6.502 1.00 0.00 C ATOM 50 N7 DG A 2 -7.411 -7.997 -7.481 1.00 0.00 N ATOM 51 C5 DG A 2 -6.498 -8.912 -6.972 1.00 0.00 C ATOM 52 C6 DG A 2 -5.360 -9.496 -7.589 1.00 0.00 C ATOM 53 O6 DG A 2 -4.936 -9.312 -8.725 1.00 0.00 O ATOM 54 N1 DG A 2 -4.705 -10.368 -6.736 1.00 0.00 N ATOM 55 C2 DG A 2 -5.090 -10.646 -5.444 1.00 0.00 C ATOM 56 N2 DG A 2 -4.331 -11.503 -4.758 1.00 0.00 N ATOM 57 N3 DG A 2 -6.159 -10.101 -4.852 1.00 0.00 N ATOM 58 C4 DG A 2 -6.814 -9.244 -5.678 1.00 0.00 C ATOM 0 H5' DG A 2 -11.109 -10.854 -5.370 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.508 -10.633 -4.337 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.001 -10.344 -2.753 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.854 -7.849 -3.302 1.00 0.00 H new ATOM 0 H2' DG A 2 -10.168 -7.248 -4.978 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.447 -6.621 -3.509 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.959 -8.416 -3.295 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.090 -7.134 -6.571 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.874 -10.840 -7.092 1.00 0.00 H new ATOM 0 H21 DG A 2 -4.573 -11.742 -3.797 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.509 -11.919 -5.195 1.00 0.00 H new HETATM 70 P XTY A 3 -11.120 -7.084 -0.813 1.00 0.00 P HETATM 71 OP1 XTY A 3 -12.123 -7.782 0.024 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.521 -5.906 -1.616 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.560 -7.112 -0.134 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.503 -6.150 0.401 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.599 -5.820 -0.659 1.00 0.00 O HETATM 76 C3' XTY A 3 -8.036 -4.812 0.884 1.00 0.00 C HETATM 77 C2' XTY A 3 -8.015 -3.957 -0.373 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.750 -4.451 -1.086 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.890 -6.651 0.135 1.00 0.00 O HETATM 80 C2 XTY A 3 -4.268 -6.843 -3.398 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.404 -7.528 -2.858 1.00 0.00 O HETATM 82 N3 XTY A 3 -4.443 -6.859 -4.770 1.00 0.00 N HETATM 83 C4 XTY A 3 -5.403 -6.122 -5.443 1.00 0.00 C HETATM 84 O4 XTY A 3 -5.515 -6.199 -6.662 1.00 0.00 O HETATM 85 C5 XTY A 3 -6.248 -5.307 -4.687 1.00 0.00 C HETATM 86 C6 XTY A 3 -6.092 -5.271 -3.283 1.00 0.00 C HETATM 87 N XTY A 3 -5.112 -6.031 -2.642 1.00 0.00 N HETATM 88 CP XTY A 3 -7.242 -4.532 -5.324 1.00 0.00 C HETATM 89 CD XTY A 3 -7.928 -3.683 -3.152 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.933 -4.456 -2.490 1.00 0.00 C HETATM 91 C7 XTY A 3 -8.075 -3.724 -4.552 1.00 0.00 C HETATM 92 C7A XTY A 3 -9.148 -2.872 -5.228 1.00 0.00 C HETATM 93 O3' XTY A 3 -7.067 -4.273 1.791 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -8.677 -2.178 -5.923 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -9.837 -3.518 -5.772 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -9.697 -2.311 -4.472 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.429 -7.233 -1.209 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.418 -8.094 0.317 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -8.908 -4.105 -0.980 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -7.961 -2.894 -0.140 1.00 0.00 H new HETATM 0 HP XTY A 3 -7.357 -4.565 -6.407 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.824 -7.453 -5.322 1.00 0.00 H new HETATM 0 HN XTY A 3 -5.014 -5.992 -1.627 1.00 0.00 H new HETATM 0 HD XTY A 3 -8.589 -3.047 -2.564 1.00 0.00 H new HETATM 0 H4' XTY A 3 -7.054 -6.675 1.244 1.00 0.00 H new HETATM 0 H3' XTY A 3 -9.013 -4.866 1.364 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.895 -3.816 -0.854 1.00 0.00 H new ATOM 108 P DA A 4 -7.422 -4.065 3.352 1.00 0.00 P ATOM 109 OP1 DA A 4 -7.371 -2.615 3.645 1.00 0.00 O ATOM 110 OP2 DA A 4 -8.649 -4.835 3.660 1.00 0.00 O ATOM 111 O5' DA A 4 -6.180 -4.772 4.102 1.00 0.00 O ATOM 112 C5' DA A 4 -6.016 -6.196 4.072 1.00 0.00 C ATOM 113 C4' DA A 4 -4.548 -6.601 4.201 1.00 0.00 C ATOM 114 O4' DA A 4 -3.951 -6.557 2.900 1.00 0.00 O ATOM 115 C3' DA A 4 -3.699 -5.669 5.057 1.00 0.00 C ATOM 116 O3' DA A 4 -2.585 -6.427 5.542 1.00 0.00 O ATOM 117 C2' DA A 4 -3.155 -4.659 4.064 1.00 0.00 C ATOM 118 C1' DA A 4 -2.997 -5.490 2.795 1.00 0.00 C ATOM 119 N9 DA A 4 -3.329 -4.713 1.585 1.00 0.00 N ATOM 120 C8 DA A 4 -4.326 -3.784 1.424 1.00 0.00 C ATOM 121 N7 DA A 4 -4.416 -3.317 0.215 1.00 0.00 N ATOM 122 C5 DA A 4 -3.410 -3.979 -0.473 1.00 0.00 C ATOM 123 C6 DA A 4 -2.990 -3.924 -1.806 1.00 0.00 C ATOM 124 N6 DA A 4 -3.588 -3.173 -2.727 1.00 0.00 N ATOM 125 N1 DA A 4 -1.960 -4.703 -2.172 1.00 0.00 N ATOM 126 C2 DA A 4 -1.393 -5.487 -1.263 1.00 0.00 C ATOM 127 N3 DA A 4 -1.698 -5.635 0.021 1.00 0.00 N ATOM 128 C4 DA A 4 -2.736 -4.834 0.349 1.00 0.00 C ATOM 0 H5' DA A 4 -6.421 -6.589 3.139 1.00 0.00 H new ATOM 0 H5'' DA A 4 -6.590 -6.645 4.883 1.00 0.00 H new ATOM 0 H4' DA A 4 -4.563 -7.585 4.669 1.00 0.00 H new ATOM 0 H3' DA A 4 -4.246 -5.220 5.886 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.840 -3.824 3.919 1.00 0.00 H new ATOM 0 H2'' DA A 4 -2.205 -4.238 4.394 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.965 -5.831 2.706 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.976 -3.470 2.228 1.00 0.00 H new ATOM 0 H61 DA A 4 -3.241 -3.169 -3.686 1.00 0.00 H new ATOM 0 H62 DA A 4 -4.394 -2.601 -2.474 1.00 0.00 H new ATOM 0 H2 DA A 4 -0.569 -6.088 -1.617 1.00 0.00 H new HETATM 140 P XCS A 5 -1.936 -6.102 6.983 1.00 0.00 P HETATM 141 OP2 XCS A 5 -2.542 -4.854 7.497 1.00 0.00 O HETATM 142 C6 XCS A 5 0.235 -2.555 2.568 1.00 0.00 C HETATM 143 C2 XCS A 5 1.173 -2.603 0.353 1.00 0.00 C HETATM 144 O2 XCS A 5 2.084 -2.940 -0.399 1.00 0.00 O HETATM 145 N3 XCS A 5 0.090 -1.905 -0.116 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.909 -1.528 0.699 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.931 -0.858 0.167 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.871 -1.842 2.090 1.00 0.00 C HETATM 149 OP1 XCS A 5 -1.983 -7.336 7.800 1.00 0.00 O HETATM 150 O5' XCS A 5 -0.396 -5.798 6.619 1.00 0.00 O HETATM 151 C5' XCS A 5 0.300 -6.586 5.648 1.00 0.00 C HETATM 152 C4' XCS A 5 1.562 -5.883 5.152 1.00 0.00 C HETATM 153 O4' XCS A 5 1.209 -5.022 4.060 1.00 0.00 O HETATM 154 C1' XCS A 5 1.475 -3.642 4.356 1.00 0.00 C HETATM 155 ND XCS A 5 1.251 -2.934 1.710 1.00 0.00 N HETATM 156 CP XCS A 5 -1.915 -1.449 2.952 1.00 0.00 C HETATM 157 CD XCS A 5 -0.732 -2.493 4.797 1.00 0.00 C HETATM 158 C8 XCS A 5 0.335 -2.900 3.937 1.00 0.00 C HETATM 159 C7 XCS A 5 -1.838 -1.777 4.302 1.00 0.00 C HETATM 160 C7A XCS A 5 -2.963 -1.368 5.248 1.00 0.00 C HETATM 161 C2' XCS A 5 1.684 -3.595 5.878 1.00 0.00 C HETATM 162 C3' XCS A 5 2.235 -4.980 6.178 1.00 0.00 C HETATM 163 O3' XCS A 5 3.634 -4.957 5.876 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.706 -0.557 0.758 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.938 -0.646 -0.831 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.065 -0.283 5.245 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -3.898 -1.821 4.919 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -2.731 -1.708 6.257 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 0.567 -7.549 6.084 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 -0.359 -6.790 4.804 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.382 -2.809 6.168 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.752 -3.405 6.410 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.771 -0.896 2.566 1.00 0.00 H new HETATM 0 HND XCS A 5 2.054 -3.453 2.065 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.688 -2.742 5.857 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.253 -6.685 4.892 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.070 -5.298 7.207 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.347 -3.223 3.854 1.00 0.00 H new HETATM 179 P XGA A 6 4.722 -5.218 7.038 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.099 -6.649 7.006 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.214 -4.616 8.292 1.00 0.00 O HETATM 182 C5' XGA A 6 6.508 -4.508 5.220 1.00 0.00 C HETATM 183 O5' XGA A 6 5.986 -4.352 6.544 1.00 0.00 O HETATM 184 C4' XGA A 6 7.245 -3.254 4.757 1.00 0.00 C HETATM 185 O4' XGA A 6 6.298 -2.353 4.164 1.00 0.00 O HETATM 186 C3' XGA A 6 7.916 -2.459 5.873 1.00 0.00 C HETATM 187 C2' XGA A 6 6.905 -1.377 6.213 1.00 0.00 C HETATM 188 C1' XGA A 6 6.274 -1.099 4.854 1.00 0.00 C HETATM 189 N9 XGA A 6 4.907 -0.606 4.925 1.00 0.00 N HETATM 190 C8 XGA A 6 4.018 -0.797 5.955 1.00 0.00 C HETATM 191 N7 XGA A 6 2.854 -0.243 5.709 1.00 0.00 N HETATM 192 C4 XGA A 6 3.725 1.339 1.935 1.00 0.00 C HETATM 193 C5 XGA A 6 2.426 1.559 2.440 1.00 0.00 C HETATM 194 N3 XGA A 6 4.116 1.799 0.739 1.00 0.00 N HETATM 195 C2 XGA A 6 3.206 2.496 0.021 1.00 0.00 C HETATM 196 N2 XGA A 6 3.585 2.967 -1.192 1.00 0.00 N HETATM 197 N1 XGA A 6 1.947 2.751 0.430 1.00 0.00 N HETATM 198 C6 XGA A 6 1.523 2.285 1.661 1.00 0.00 C HETATM 199 O6 XGA A 6 0.376 2.509 2.045 1.00 0.00 O HETATM 200 C10 XGA A 6 4.261 0.124 3.951 1.00 0.00 C HETATM 201 C11 XGA A 6 2.985 0.330 4.473 1.00 0.00 C HETATM 202 CP XGA A 6 2.052 1.056 3.716 1.00 0.00 C HETATM 203 CD XGA A 6 4.646 0.617 2.690 1.00 0.00 C HETATM 204 O3' XGA A 6 9.049 -1.805 5.293 1.00 0.00 O HETATM 0 HN22 XGA A 6 2.926 3.497 -1.762 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.529 2.791 -1.535 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.187 -5.361 5.194 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.693 -4.728 4.530 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.170 -1.719 6.942 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.381 -0.490 6.632 1.00 0.00 H new HETATM 0 HP XGA A 6 1.049 1.233 4.104 1.00 0.00 H new HETATM 0 HN1 XGA A 6 1.312 3.284 -0.164 1.00 0.00 H new HETATM 0 HD XGA A 6 5.651 0.436 2.310 1.00 0.00 H new HETATM 0 H8 XGA A 6 4.252 -1.344 6.868 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.016 -3.613 4.075 1.00 0.00 H new HETATM 0 H3' XGA A 6 8.210 -3.067 6.729 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.832 -0.309 4.351 1.00 0.00 H new ATOM 218 P DC A 7 10.434 -1.680 6.106 1.00 0.00 P ATOM 219 OP1 DC A 7 11.308 -2.805 5.707 1.00 0.00 O ATOM 220 OP2 DC A 7 10.117 -1.462 7.537 1.00 0.00 O ATOM 221 O5' DC A 7 11.062 -0.318 5.519 1.00 0.00 O ATOM 222 C5' DC A 7 11.128 -0.094 4.107 1.00 0.00 C ATOM 223 C4' DC A 7 11.200 1.394 3.773 1.00 0.00 C ATOM 224 O4' DC A 7 9.876 1.875 3.491 1.00 0.00 O ATOM 225 C3' DC A 7 11.727 2.280 4.903 1.00 0.00 C ATOM 226 O3' DC A 7 12.461 3.349 4.296 1.00 0.00 O ATOM 227 C2' DC A 7 10.475 2.891 5.517 1.00 0.00 C ATOM 228 C1' DC A 7 9.560 3.009 4.303 1.00 0.00 C ATOM 229 N1 DC A 7 8.118 2.969 4.648 1.00 0.00 N ATOM 230 C2 DC A 7 7.258 3.784 3.918 1.00 0.00 C ATOM 231 O2 DC A 7 7.692 4.505 3.018 1.00 0.00 O ATOM 232 N3 DC A 7 5.930 3.763 4.214 1.00 0.00 N ATOM 233 C4 DC A 7 5.457 2.977 5.189 1.00 0.00 C ATOM 234 N4 DC A 7 4.146 3.006 5.431 1.00 0.00 N ATOM 235 C5 DC A 7 6.331 2.138 5.947 1.00 0.00 C ATOM 236 C6 DC A 7 7.643 2.162 5.647 1.00 0.00 C ATOM 0 H5' DC A 7 10.253 -0.532 3.628 1.00 0.00 H new ATOM 0 H5'' DC A 7 12.002 -0.601 3.699 1.00 0.00 H new ATOM 0 H4' DC A 7 11.890 1.461 2.932 1.00 0.00 H new ATOM 0 H3' DC A 7 12.346 1.742 5.621 1.00 0.00 H new ATOM 0 H2' DC A 7 10.047 2.255 6.292 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.675 3.860 5.975 1.00 0.00 H new ATOM 0 H1' DC A 7 9.722 3.968 3.810 1.00 0.00 H new ATOM 0 H41 DC A 7 3.750 2.420 6.166 1.00 0.00 H new ATOM 0 H42 DC A 7 3.539 3.614 4.881 1.00 0.00 H new ATOM 0 H5 DC A 7 5.951 1.505 6.735 1.00 0.00 H new ATOM 0 H6 DC A 7 8.329 1.538 6.201 1.00 0.00 H new HETATM 248 P XAE A 8 13.706 4.029 5.061 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.950 3.620 4.373 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.551 3.783 6.514 1.00 0.00 O HETATM 251 C5' XAE A 8 13.044 6.066 3.508 1.00 0.00 C HETATM 252 C4' XAE A 8 12.372 7.434 3.601 1.00 0.00 C HETATM 253 O4' XAE A 8 10.976 7.247 3.891 1.00 0.00 O HETATM 254 C3' XAE A 8 12.892 8.328 4.725 1.00 0.00 C HETATM 255 C2' XAE A 8 11.937 8.049 5.871 1.00 0.00 C HETATM 256 C1' XAE A 8 10.621 7.892 5.122 1.00 0.00 C HETATM 257 O5' XAE A 8 13.473 5.599 4.791 1.00 0.00 O HETATM 258 N9 XAE A 8 9.624 7.103 5.827 1.00 0.00 N HETATM 259 C8 XAE A 8 9.855 6.198 6.834 1.00 0.00 C HETATM 260 N7 XAE A 8 8.745 5.641 7.259 1.00 0.00 N HETATM 261 C5 XAE A 8 5.529 6.696 5.637 1.00 0.00 C HETATM 262 C4 XAE A 8 6.068 7.626 4.724 1.00 0.00 C HETATM 263 C6 XAE A 8 4.118 6.507 5.623 1.00 0.00 C HETATM 264 N6 XAE A 8 3.510 5.648 6.441 1.00 0.00 N HETATM 265 N1 XAE A 8 3.372 7.206 4.762 1.00 0.00 N HETATM 266 C2 XAE A 8 3.994 8.057 3.946 1.00 0.00 C HETATM 267 N3 XAE A 8 5.300 8.339 3.844 1.00 0.00 N HETATM 268 C10 XAE A 8 8.266 7.126 5.595 1.00 0.00 C HETATM 269 C11 XAE A 8 7.751 6.202 6.505 1.00 0.00 C HETATM 270 CP XAE A 8 6.367 5.980 6.532 1.00 0.00 C HETATM 271 CD XAE A 8 7.445 7.842 4.703 1.00 0.00 C HETATM 272 O3' XAE A 8 12.670 9.681 4.314 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.497 5.538 6.403 1.00 0.00 H new HETATM 0 HN61 XAE A 8 4.058 5.101 7.104 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.349 5.348 3.073 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.901 6.126 2.837 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 12.207 7.149 6.423 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.907 8.867 6.591 1.00 0.00 H new HETATM 0 HP XAE A 8 5.938 5.264 7.234 1.00 0.00 H new HETATM 0 HD XAE A 8 7.881 8.556 4.005 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.843 5.969 7.233 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.579 7.915 2.645 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.940 8.164 4.975 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.345 8.603 3.261 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.153 8.868 4.992 1.00 0.00 H new HETATM 286 P XGA A 9 13.552 10.888 4.917 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.519 11.316 3.881 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.036 10.489 6.257 1.00 0.00 O HETATM 289 C5' XGA A 9 11.283 12.099 4.290 1.00 0.00 C HETATM 290 O5' XGA A 9 12.462 12.060 5.103 1.00 0.00 O HETATM 291 C4' XGA A 9 10.173 12.928 4.934 1.00 0.00 C HETATM 292 O4' XGA A 9 9.159 12.041 5.435 1.00 0.00 O HETATM 293 C3' XGA A 9 10.611 13.764 6.139 1.00 0.00 C HETATM 294 C2' XGA A 9 10.175 12.943 7.342 1.00 0.00 C HETATM 295 C1' XGA A 9 8.906 12.283 6.822 1.00 0.00 C HETATM 296 N9 XGA A 9 8.583 11.035 7.494 1.00 0.00 N HETATM 297 C8 XGA A 9 9.473 10.059 7.862 1.00 0.00 C HETATM 298 N7 XGA A 9 8.884 9.055 8.463 1.00 0.00 N HETATM 299 C4 XGA A 9 4.954 10.484 8.317 1.00 0.00 C HETATM 300 C5 XGA A 9 5.160 9.230 8.928 1.00 0.00 C HETATM 301 N3 XGA A 9 3.740 11.039 8.215 1.00 0.00 N HETATM 302 C2 XGA A 9 2.698 10.344 8.728 1.00 0.00 C HETATM 303 N2 XGA A 9 1.464 10.889 8.629 1.00 0.00 N HETATM 304 N1 XGA A 9 2.809 9.141 9.328 1.00 0.00 N HETATM 305 C6 XGA A 9 4.053 8.549 9.444 1.00 0.00 C HETATM 306 O6 XGA A 9 4.166 7.445 9.975 1.00 0.00 O HETATM 307 C10 XGA A 9 7.328 10.623 7.891 1.00 0.00 C HETATM 308 C11 XGA A 9 7.555 9.385 8.491 1.00 0.00 C HETATM 309 CP XGA A 9 6.465 8.676 9.017 1.00 0.00 C HETATM 310 CD XGA A 9 6.041 11.186 7.796 1.00 0.00 C HETATM 311 O3' XGA A 9 9.814 14.951 6.134 1.00 0.00 O HETATM 0 HN22 XGA A 9 0.656 10.393 9.005 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.342 11.796 8.179 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 11.529 12.518 3.314 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 10.925 11.083 4.120 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 10.928 12.210 7.632 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 9.984 13.566 8.215 1.00 0.00 H new HETATM 0 HP XGA A 9 6.618 7.706 9.491 1.00 0.00 H new HETATM 0 HN1 XGA A 9 1.981 8.671 9.694 1.00 0.00 H new HETATM 0 HD XGA A 9 5.896 12.157 7.322 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.546 10.112 7.676 1.00 0.00 H new HETATM 0 H4' XGA A 9 9.835 13.603 4.148 1.00 0.00 H new HETATM 0 H3' XGA A 9 11.674 14.005 6.139 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.047 12.930 7.002 1.00 0.00 H new ATOM 325 P DT A 10 10.338 16.297 6.850 1.00 0.00 P ATOM 326 OP1 DT A 10 11.109 17.078 5.858 1.00 0.00 O ATOM 327 OP2 DT A 10 10.959 15.926 8.142 1.00 0.00 O ATOM 328 O5' DT A 10 8.968 17.087 7.160 1.00 0.00 O ATOM 329 C5' DT A 10 7.768 16.782 6.440 1.00 0.00 C ATOM 330 C4' DT A 10 6.517 17.167 7.227 1.00 0.00 C ATOM 331 O4' DT A 10 5.889 15.973 7.719 1.00 0.00 O ATOM 332 C3' DT A 10 6.772 18.042 8.464 1.00 0.00 C ATOM 333 O3' DT A 10 5.708 18.980 8.640 1.00 0.00 O ATOM 334 C2' DT A 10 6.780 17.024 9.598 1.00 0.00 C ATOM 335 C1' DT A 10 5.716 16.043 9.133 1.00 0.00 C ATOM 336 N1 DT A 10 5.868 14.684 9.711 1.00 0.00 N ATOM 337 C2 DT A 10 4.712 14.031 10.116 1.00 0.00 C ATOM 338 O2 DT A 10 3.592 14.531 10.006 1.00 0.00 O ATOM 339 N3 DT A 10 4.884 12.772 10.654 1.00 0.00 N ATOM 340 C4 DT A 10 6.084 12.112 10.827 1.00 0.00 C ATOM 341 O4 DT A 10 6.107 10.989 11.322 1.00 0.00 O ATOM 342 C5 DT A 10 7.236 12.859 10.382 1.00 0.00 C ATOM 343 C7 DT A 10 8.625 12.241 10.523 1.00 0.00 C ATOM 344 C6 DT A 10 7.102 14.092 9.847 1.00 0.00 C ATOM 0 H5' DT A 10 7.741 15.716 6.215 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.773 17.309 5.486 1.00 0.00 H new ATOM 0 H4' DT A 10 5.909 17.738 6.525 1.00 0.00 H new ATOM 0 H3' DT A 10 7.688 18.630 8.401 1.00 0.00 H new ATOM 0 H2' DT A 10 7.754 16.548 9.715 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.529 17.477 10.557 1.00 0.00 H new ATOM 0 HO3' DT A 10 5.884 19.529 9.433 1.00 0.00 H new ATOM 0 H1' DT A 10 4.730 16.384 9.449 1.00 0.00 H new ATOM 0 H3 DT A 10 4.042 12.281 10.953 1.00 0.00 H new ATOM 0 H71 DT A 10 9.272 12.614 9.729 1.00 0.00 H new ATOM 0 H72 DT A 10 9.047 12.511 11.491 1.00 0.00 H new ATOM 0 H73 DT A 10 8.550 11.156 10.450 1.00 0.00 H new ATOM 0 H6 DT A 10 7.983 14.624 9.519 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -3.245 4.511 16.853 1.00 0.00 C HETATM 360 C4' XAE B 11 -3.722 5.600 15.894 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.764 6.665 15.888 1.00 0.00 O HETATM 362 C3' XAE B 11 -3.851 5.162 14.438 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.538 5.591 13.800 1.00 0.00 C HETATM 364 C1' XAE B 11 -2.181 6.840 14.590 1.00 0.00 C HETATM 365 O5' XAE B 11 -3.120 3.245 16.200 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.749 7.037 14.722 1.00 0.00 N HETATM 367 C8 XAE B 11 0.109 6.270 15.469 1.00 0.00 C HETATM 368 N7 XAE B 11 1.345 6.704 15.399 1.00 0.00 N HETATM 369 C5 XAE B 11 2.013 9.729 13.282 1.00 0.00 C HETATM 370 C4 XAE B 11 0.692 9.954 12.837 1.00 0.00 C HETATM 371 C6 XAE B 11 3.020 10.627 12.823 1.00 0.00 C HETATM 372 N6 XAE B 11 4.297 10.505 13.188 1.00 0.00 N HETATM 373 N1 XAE B 11 2.681 11.628 12.008 1.00 0.00 N HETATM 374 C2 XAE B 11 1.403 11.742 11.654 1.00 0.00 C HETATM 375 N3 XAE B 11 0.352 10.982 11.999 1.00 0.00 N HETATM 376 C10 XAE B 11 -0.006 8.034 14.129 1.00 0.00 C HETATM 377 C11 XAE B 11 1.294 7.796 14.574 1.00 0.00 C HETATM 378 CP XAE B 11 2.321 8.649 14.150 1.00 0.00 C HETATM 379 CD XAE B 11 -0.325 9.100 13.267 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.884 5.959 13.851 1.00 0.00 O HETATM 0 HN62 XAE B 11 4.992 11.166 12.840 1.00 0.00 H new HETATM 0 HN61 XAE B 11 4.579 9.751 13.815 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -2.283 4.797 17.278 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -3.947 4.424 17.682 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -1.772 4.821 13.891 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.653 5.802 12.737 1.00 0.00 H new HETATM 0 HP XAE B 11 3.346 8.485 14.483 1.00 0.00 H new HETATM 0 HD XAE B 11 -1.353 9.257 12.940 1.00 0.00 H new HETATM 0 H8 XAE B 11 -0.200 5.402 16.052 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.710 5.883 16.258 1.00 0.00 H new HETATM 0 H3' XAE B 11 -4.064 4.099 14.320 1.00 0.00 H new HETATM 0 H2 XAE B 11 1.177 12.574 10.987 1.00 0.00 H new HETATM 0 H1' XAE B 11 -2.557 7.721 14.070 1.00 0.00 H new ATOM 395 P DC B 12 -5.823 5.363 12.684 1.00 0.00 P ATOM 396 OP1 DC B 12 -5.218 4.103 12.196 1.00 0.00 O ATOM 397 OP2 DC B 12 -7.221 5.370 13.168 1.00 0.00 O ATOM 398 O5' DC B 12 -5.689 6.467 11.517 1.00 0.00 O ATOM 399 C5' DC B 12 -5.182 7.777 11.800 1.00 0.00 C ATOM 400 C4' DC B 12 -4.788 8.519 10.524 1.00 0.00 C ATOM 401 O4' DC B 12 -3.357 8.617 10.463 1.00 0.00 O ATOM 402 C3' DC B 12 -5.205 7.831 9.223 1.00 0.00 C ATOM 403 O3' DC B 12 -5.484 8.867 8.276 1.00 0.00 O ATOM 404 C2' DC B 12 -3.942 7.126 8.754 1.00 0.00 C ATOM 405 C1' DC B 12 -2.862 8.085 9.230 1.00 0.00 C ATOM 406 N1 DC B 12 -1.566 7.415 9.485 1.00 0.00 N ATOM 407 C2 DC B 12 -0.436 7.946 8.876 1.00 0.00 C ATOM 408 O2 DC B 12 -0.529 8.924 8.136 1.00 0.00 O ATOM 409 N3 DC B 12 0.769 7.358 9.112 1.00 0.00 N ATOM 410 C4 DC B 12 0.866 6.292 9.916 1.00 0.00 C ATOM 411 N4 DC B 12 2.078 5.771 10.115 1.00 0.00 N ATOM 412 C5 DC B 12 -0.292 5.737 10.545 1.00 0.00 C ATOM 413 C6 DC B 12 -1.480 6.326 10.304 1.00 0.00 C ATOM 0 H5' DC B 12 -4.316 7.698 12.457 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.937 8.351 12.336 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.303 9.477 10.588 1.00 0.00 H new ATOM 0 H3' DC B 12 -6.059 7.163 9.336 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.836 6.136 9.198 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.924 6.993 7.672 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.670 8.839 8.466 1.00 0.00 H new ATOM 0 H41 DC B 12 2.191 4.959 10.721 1.00 0.00 H new ATOM 0 H42 DC B 12 2.892 6.185 9.661 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.217 4.875 11.191 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.374 5.932 10.764 1.00 0.00 H new ATOM 425 P DT B 13 -6.589 8.655 7.123 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.741 9.534 7.419 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.799 7.200 6.937 1.00 0.00 O ATOM 428 O5' DT B 13 -5.843 9.225 5.815 1.00 0.00 O ATOM 429 C5' DT B 13 -5.212 10.510 5.836 1.00 0.00 C ATOM 430 C4' DT B 13 -4.260 10.690 4.657 1.00 0.00 C ATOM 431 O4' DT B 13 -2.960 10.199 5.026 1.00 0.00 O ATOM 432 C3' DT B 13 -4.649 9.911 3.398 1.00 0.00 C ATOM 433 O3' DT B 13 -4.262 10.707 2.271 1.00 0.00 O ATOM 434 C2' DT B 13 -3.739 8.694 3.419 1.00 0.00 C ATOM 435 C1' DT B 13 -2.480 9.267 4.055 1.00 0.00 C ATOM 436 N1 DT B 13 -1.647 8.244 4.732 1.00 0.00 N ATOM 437 C2 DT B 13 -0.271 8.341 4.587 1.00 0.00 C ATOM 438 O2 DT B 13 0.265 9.233 3.930 1.00 0.00 O ATOM 439 N3 DT B 13 0.478 7.369 5.225 1.00 0.00 N ATOM 440 C4 DT B 13 -0.017 6.324 5.982 1.00 0.00 C ATOM 441 O4 DT B 13 0.750 5.520 6.505 1.00 0.00 O ATOM 442 C5 DT B 13 -1.457 6.299 6.081 1.00 0.00 C ATOM 443 C7 DT B 13 -2.134 5.186 6.880 1.00 0.00 C ATOM 444 C6 DT B 13 -2.213 7.234 5.472 1.00 0.00 C ATOM 0 H5' DT B 13 -4.662 10.630 6.769 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.973 11.290 5.812 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.289 11.756 4.429 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.709 9.662 3.351 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.160 7.877 4.006 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.552 8.304 2.418 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.840 9.708 3.290 1.00 0.00 H new ATOM 0 H3 DT B 13 1.492 7.429 5.128 1.00 0.00 H new ATOM 0 H71 DT B 13 -1.523 4.285 6.838 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.247 5.500 7.918 1.00 0.00 H new ATOM 0 H73 DT B 13 -3.116 4.978 6.455 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.288 7.188 5.568 1.00 0.00 H new HETATM 457 P XGA B 14 -5.148 10.711 0.924 1.00 0.00 P HETATM 458 OP1 XGA B 14 -5.592 12.100 0.668 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.149 9.624 1.019 1.00 0.00 O HETATM 460 C5' XGA B 14 -2.961 11.156 -0.499 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.076 10.306 -0.209 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.048 10.548 -1.562 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.104 9.680 -0.918 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.755 9.671 -2.588 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.669 8.275 -1.995 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.313 8.309 -1.288 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.251 7.470 -0.101 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.312 7.098 0.688 1.00 0.00 C HETATM 469 N7 XGA B 14 -1.936 6.364 1.708 1.00 0.00 N HETATM 470 C4 XGA B 14 2.173 6.281 0.924 1.00 0.00 C HETATM 471 C5 XGA B 14 1.720 5.592 2.068 1.00 0.00 C HETATM 472 N3 XGA B 14 3.468 6.319 0.580 1.00 0.00 N HETATM 473 C2 XGA B 14 4.339 5.662 1.381 1.00 0.00 C HETATM 474 N2 XGA B 14 5.654 5.692 1.052 1.00 0.00 N HETATM 475 N1 XGA B 14 3.987 4.980 2.490 1.00 0.00 N HETATM 476 C6 XGA B 14 2.656 4.929 2.863 1.00 0.00 C HETATM 477 O6 XGA B 14 2.321 4.323 3.879 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.110 6.928 0.459 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.579 6.247 1.583 1.00 0.00 C HETATM 480 CP XGA B 14 0.339 5.571 2.399 1.00 0.00 C HETATM 481 CD XGA B 14 1.256 6.957 0.116 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.951 9.676 -3.771 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.337 5.207 1.635 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.961 6.199 0.222 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.322 12.126 -0.841 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.391 11.332 0.413 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.486 8.076 -1.301 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.709 7.503 -2.763 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.005 5.033 3.282 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.696 4.506 3.049 1.00 0.00 H new HETATM 0 HD XGA B 14 1.593 7.499 -0.768 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.346 7.380 0.490 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.607 11.402 -2.076 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.773 9.991 -2.811 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.547 7.918 -1.958 1.00 0.00 H new ATOM 496 P DC B 15 -2.605 9.376 -5.214 1.00 0.00 P ATOM 497 OP1 DC B 15 -2.357 10.546 -6.086 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.988 8.887 -5.010 1.00 0.00 O ATOM 499 O5' DC B 15 -1.712 8.149 -5.752 1.00 0.00 O ATOM 500 C5' DC B 15 -0.284 8.195 -5.669 1.00 0.00 C ATOM 501 C4' DC B 15 0.348 6.841 -5.978 1.00 0.00 C ATOM 502 O4' DC B 15 0.600 6.152 -4.745 1.00 0.00 O ATOM 503 C3' DC B 15 -0.525 5.895 -6.805 1.00 0.00 C ATOM 504 O3' DC B 15 0.358 5.127 -7.629 1.00 0.00 O ATOM 505 C2' DC B 15 -1.120 4.940 -5.780 1.00 0.00 C ATOM 506 C1' DC B 15 0.007 4.850 -4.758 1.00 0.00 C ATOM 507 N1 DC B 15 -0.463 4.527 -3.388 1.00 0.00 N ATOM 508 C2 DC B 15 0.329 3.681 -2.624 1.00 0.00 C ATOM 509 O2 DC B 15 1.375 3.224 -3.083 1.00 0.00 O ATOM 510 N3 DC B 15 -0.072 3.375 -1.360 1.00 0.00 N ATOM 511 C4 DC B 15 -1.208 3.876 -0.861 1.00 0.00 C ATOM 512 N4 DC B 15 -1.541 3.540 0.386 1.00 0.00 N ATOM 513 C5 DC B 15 -2.031 4.747 -1.640 1.00 0.00 C ATOM 514 C6 DC B 15 -1.627 5.044 -2.888 1.00 0.00 C ATOM 0 H5' DC B 15 0.011 8.514 -4.669 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.096 8.941 -6.367 1.00 0.00 H new ATOM 0 H4' DC B 15 1.243 7.075 -6.555 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.275 6.409 -7.406 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.040 5.328 -5.343 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.359 3.969 -6.214 1.00 0.00 H new ATOM 0 H1' DC B 15 0.691 4.049 -5.037 1.00 0.00 H new ATOM 0 H41 DC B 15 -2.400 3.903 0.800 1.00 0.00 H new ATOM 0 H42 DC B 15 -0.937 2.920 0.926 1.00 0.00 H new ATOM 0 H5 DC B 15 -2.948 5.154 -1.239 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.228 5.698 -3.502 1.00 0.00 H new ATOM 526 P DG B 16 -0.143 4.534 -9.041 1.00 0.00 P ATOM 527 OP1 DG B 16 0.155 5.531 -10.094 1.00 0.00 O ATOM 528 OP2 DG B 16 -1.524 4.031 -8.871 1.00 0.00 O ATOM 529 O5' DG B 16 0.830 3.269 -9.257 1.00 0.00 O ATOM 530 C5' DG B 16 2.200 3.320 -8.843 1.00 0.00 C ATOM 531 C4' DG B 16 2.715 1.942 -8.438 1.00 0.00 C ATOM 532 O4' DG B 16 2.406 1.722 -7.053 1.00 0.00 O ATOM 533 C3' DG B 16 2.072 0.772 -9.184 1.00 0.00 C ATOM 534 O3' DG B 16 3.054 -0.267 -9.256 1.00 0.00 O ATOM 535 C2' DG B 16 0.984 0.289 -8.237 1.00 0.00 C ATOM 536 C1' DG B 16 1.638 0.527 -6.885 1.00 0.00 C ATOM 537 N9 DG B 16 0.659 0.739 -5.800 1.00 0.00 N ATOM 538 C8 DG B 16 -0.603 1.276 -5.868 1.00 0.00 C ATOM 539 N7 DG B 16 -1.218 1.315 -4.719 1.00 0.00 N ATOM 540 C5 DG B 16 -0.301 0.769 -3.828 1.00 0.00 C ATOM 541 C6 DG B 16 -0.410 0.553 -2.428 1.00 0.00 C ATOM 542 O6 DG B 16 -1.358 0.814 -1.690 1.00 0.00 O ATOM 543 N1 DG B 16 0.739 -0.022 -1.907 1.00 0.00 N ATOM 544 C2 DG B 16 1.859 -0.346 -2.640 1.00 0.00 C ATOM 545 N2 DG B 16 2.886 -0.883 -1.977 1.00 0.00 N ATOM 546 N3 DG B 16 1.971 -0.146 -3.955 1.00 0.00 N ATOM 547 C4 DG B 16 0.854 0.413 -4.480 1.00 0.00 C ATOM 0 H5' DG B 16 2.302 4.008 -8.004 1.00 0.00 H new ATOM 0 H5'' DG B 16 2.812 3.714 -9.655 1.00 0.00 H new ATOM 0 H4' DG B 16 3.780 1.959 -8.669 1.00 0.00 H new ATOM 0 H3' DG B 16 1.706 1.033 -10.177 1.00 0.00 H new ATOM 0 H2' DG B 16 0.059 0.854 -8.351 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.738 -0.761 -8.395 1.00 0.00 H new ATOM 0 H1' DG B 16 2.227 -0.344 -6.597 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.045 1.633 -6.787 1.00 0.00 H new ATOM 0 H1 DG B 16 0.756 -0.220 -0.906 1.00 0.00 H new ATOM 0 H21 DG B 16 3.737 -1.140 -2.477 1.00 0.00 H new ATOM 0 H22 DG B 16 2.819 -1.037 -0.971 1.00 0.00 H new HETATM 559 P XTY B 17 3.616 -0.779 -10.678 1.00 0.00 P HETATM 560 OP1 XTY B 17 2.847 -0.109 -11.752 1.00 0.00 O HETATM 561 OP2 XTY B 17 5.092 -0.679 -10.653 1.00 0.00 O HETATM 562 C5' XTY B 17 2.906 -3.021 -9.453 1.00 0.00 C HETATM 563 C4' XTY B 17 1.933 -4.175 -9.680 1.00 0.00 C HETATM 564 O4' XTY B 17 0.946 -4.157 -8.646 1.00 0.00 O HETATM 565 C3' XTY B 17 1.159 -4.103 -10.992 1.00 0.00 C HETATM 566 C2' XTY B 17 -0.195 -3.523 -10.594 1.00 0.00 C HETATM 567 C1' XTY B 17 -0.384 -4.051 -9.171 1.00 0.00 C HETATM 568 O5' XTY B 17 3.220 -2.342 -10.675 1.00 0.00 O HETATM 569 C2 XTY B 17 -0.089 -4.445 -5.059 1.00 0.00 C HETATM 570 O2 XTY B 17 0.575 -5.358 -4.573 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.742 -3.529 -4.253 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.502 -2.478 -4.720 1.00 0.00 C HETATM 573 O4 XTY B 17 -2.038 -1.700 -3.937 1.00 0.00 O HETATM 574 C5 XTY B 17 -1.627 -2.327 -6.104 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.973 -3.247 -6.956 1.00 0.00 C HETATM 576 N XTY B 17 -0.209 -4.299 -6.441 1.00 0.00 N HETATM 577 CP XTY B 17 -2.395 -1.271 -6.638 1.00 0.00 C HETATM 578 CD XTY B 17 -1.856 -2.051 -8.878 1.00 0.00 C HETATM 579 C8 XTY B 17 -1.076 -3.120 -8.360 1.00 0.00 C HETATM 580 C7 XTY B 17 -2.505 -1.138 -8.023 1.00 0.00 C HETATM 581 C7A XTY B 17 -3.332 0.001 -8.612 1.00 0.00 C HETATM 582 O3' XTY B 17 0.951 -5.455 -11.430 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -4.364 -0.084 -8.271 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.920 0.956 -8.286 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -3.304 -0.054 -9.700 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 2.473 -2.314 -8.745 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 3.823 -3.402 -9.003 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 -0.193 -2.433 -10.624 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 -0.990 -3.859 -11.259 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.897 -0.566 -5.976 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.655 -3.639 -3.243 1.00 0.00 H new HETATM 0 HN XTY B 17 0.256 -4.953 -7.070 1.00 0.00 H new HETATM 0 HD XTY B 17 -1.954 -1.935 -9.957 1.00 0.00 H new HETATM 0 H4' XTY B 17 2.550 -5.073 -9.693 1.00 0.00 H new HETATM 0 H3' XTY B 17 1.658 -3.524 -11.769 1.00 0.00 H new HETATM 0 H1' XTY B 17 -0.948 -4.983 -9.180 1.00 0.00 H new ATOM 597 P DA B 18 1.832 -6.086 -12.633 1.00 0.00 P ATOM 598 OP1 DA B 18 2.763 -5.044 -13.124 1.00 0.00 O ATOM 599 OP2 DA B 18 0.906 -6.749 -13.579 1.00 0.00 O ATOM 600 O5' DA B 18 2.702 -7.233 -11.894 1.00 0.00 O ATOM 601 C5' DA B 18 3.825 -6.881 -11.074 1.00 0.00 C ATOM 602 C4' DA B 18 4.039 -7.873 -9.926 1.00 0.00 C ATOM 603 O4' DA B 18 3.070 -7.592 -8.905 1.00 0.00 O ATOM 604 C3' DA B 18 3.817 -9.340 -10.275 1.00 0.00 C ATOM 605 O3' DA B 18 4.568 -10.107 -9.327 1.00 0.00 O ATOM 606 C2' DA B 18 2.350 -9.579 -9.973 1.00 0.00 C ATOM 607 C1' DA B 18 2.101 -8.651 -8.789 1.00 0.00 C ATOM 608 N9 DA B 18 0.757 -8.045 -8.861 1.00 0.00 N ATOM 609 C8 DA B 18 0.126 -7.537 -9.965 1.00 0.00 C ATOM 610 N7 DA B 18 -1.030 -7.006 -9.712 1.00 0.00 N ATOM 611 C5 DA B 18 -1.179 -7.173 -8.345 1.00 0.00 C ATOM 612 C6 DA B 18 -2.201 -6.814 -7.466 1.00 0.00 C ATOM 613 N6 DA B 18 -3.284 -6.149 -7.850 1.00 0.00 N ATOM 614 N1 DA B 18 -2.056 -7.126 -6.171 1.00 0.00 N ATOM 615 C2 DA B 18 -0.953 -7.751 -5.782 1.00 0.00 C ATOM 616 N3 DA B 18 0.091 -8.139 -6.510 1.00 0.00 N ATOM 617 C4 DA B 18 -0.099 -7.811 -7.807 1.00 0.00 C ATOM 0 H5' DA B 18 3.675 -5.882 -10.665 1.00 0.00 H new ATOM 0 H5'' DA B 18 4.724 -6.841 -11.690 1.00 0.00 H new ATOM 0 H4' DA B 18 5.082 -7.743 -9.636 1.00 0.00 H new ATOM 0 H3' DA B 18 4.096 -9.593 -11.298 1.00 0.00 H new ATOM 0 H2' DA B 18 1.715 -9.331 -10.824 1.00 0.00 H new ATOM 0 H2'' DA B 18 2.152 -10.621 -9.721 1.00 0.00 H new ATOM 0 H1' DA B 18 2.178 -9.206 -7.854 1.00 0.00 H new ATOM 0 H8 DA B 18 0.552 -7.575 -10.957 1.00 0.00 H new ATOM 0 H61 DA B 18 -4.004 -5.910 -7.168 1.00 0.00 H new ATOM 0 H62 DA B 18 -3.396 -5.877 -8.827 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.894 -7.976 -4.727 1.00 0.00 H new HETATM 629 P XCS B 19 5.632 -11.213 -9.814 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.981 -10.778 -9.387 1.00 0.00 O HETATM 631 C6 XCS B 19 0.008 -12.120 -8.605 1.00 0.00 C HETATM 632 C2 XCS B 19 -1.239 -11.485 -6.649 1.00 0.00 C HETATM 633 O2 XCS B 19 -1.450 -11.609 -5.444 1.00 0.00 O HETATM 634 N3 XCS B 19 -1.982 -10.619 -7.410 1.00 0.00 N HETATM 635 C4 XCS B 19 -1.767 -10.483 -8.729 1.00 0.00 C HETATM 636 N4 XCS B 19 -2.530 -9.616 -9.394 1.00 0.00 N HETATM 637 C5 XCS B 19 -0.749 -11.241 -9.386 1.00 0.00 C HETATM 638 OP1 XCS B 19 5.370 -11.517 -11.239 1.00 0.00 O HETATM 639 O5' XCS B 19 5.218 -12.501 -8.942 1.00 0.00 O HETATM 640 C5' XCS B 19 4.820 -12.364 -7.573 1.00 0.00 C HETATM 641 C4' XCS B 19 3.812 -13.437 -7.171 1.00 0.00 C HETATM 642 O4' XCS B 19 2.481 -12.939 -7.399 1.00 0.00 O HETATM 643 C1' XCS B 19 1.772 -13.762 -8.339 1.00 0.00 C HETATM 644 ND XCS B 19 -0.231 -12.245 -7.249 1.00 0.00 N HETATM 645 CP XCS B 19 -0.514 -11.111 -10.772 1.00 0.00 C HETATM 646 CD XCS B 19 1.261 -12.765 -10.584 1.00 0.00 C HETATM 647 C8 XCS B 19 1.031 -12.902 -9.185 1.00 0.00 C HETATM 648 C7 XCS B 19 0.493 -11.876 -11.364 1.00 0.00 C HETATM 649 C7A XCS B 19 0.766 -11.749 -12.860 1.00 0.00 C HETATM 650 C2' XCS B 19 2.884 -14.487 -9.099 1.00 0.00 C HETATM 651 C3' XCS B 19 3.893 -14.721 -7.987 1.00 0.00 C HETATM 652 O3' XCS B 19 3.382 -15.773 -7.164 1.00 0.00 O HETATM 0 HN42 XCS B 19 -2.397 -9.484 -10.397 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -3.247 -9.084 -8.900 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.131 -12.017 -13.418 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 1.044 -10.721 -13.093 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 1.580 -12.418 -13.139 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 5.698 -12.429 -6.930 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 4.384 -11.377 -7.417 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 2.538 -15.420 -9.545 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 3.294 -13.881 -9.907 1.00 0.00 H new HETATM 0 HP XCS B 19 -1.110 -10.423 -11.372 1.00 0.00 H new HETATM 0 HND XCS B 19 0.326 -12.890 -6.688 1.00 0.00 H new HETATM 0 HD XCS B 19 2.043 -13.357 -11.059 1.00 0.00 H new HETATM 0 H4' XCS B 19 4.042 -13.661 -6.129 1.00 0.00 H new HETATM 0 H3' XCS B 19 4.895 -14.965 -8.341 1.00 0.00 H new HETATM 0 H1' XCS B 19 1.072 -14.471 -7.897 1.00 0.00 H new ATOM 668 P DA B 20 3.843 -17.300 -7.396 1.00 0.00 P ATOM 669 OP1 DA B 20 4.163 -17.479 -8.830 1.00 0.00 O ATOM 670 OP2 DA B 20 4.851 -17.641 -6.367 1.00 0.00 O ATOM 671 O5' DA B 20 2.497 -18.123 -7.074 1.00 0.00 O ATOM 672 C5' DA B 20 1.561 -17.642 -6.103 1.00 0.00 C ATOM 673 C4' DA B 20 0.229 -18.383 -6.186 1.00 0.00 C ATOM 674 O4' DA B 20 -0.679 -17.614 -6.989 1.00 0.00 O ATOM 675 C3' DA B 20 0.301 -19.762 -6.853 1.00 0.00 C ATOM 676 O3' DA B 20 -0.643 -20.654 -6.257 1.00 0.00 O ATOM 677 C2' DA B 20 -0.089 -19.454 -8.293 1.00 0.00 C ATOM 678 C1' DA B 20 -1.149 -18.385 -8.095 1.00 0.00 C ATOM 679 N9 DA B 20 -1.302 -17.500 -9.267 1.00 0.00 N ATOM 680 C8 DA B 20 -0.331 -16.909 -10.038 1.00 0.00 C ATOM 681 N7 DA B 20 -0.809 -16.177 -11.008 1.00 0.00 N ATOM 682 C5 DA B 20 -2.188 -16.296 -10.865 1.00 0.00 C ATOM 683 C6 DA B 20 -3.270 -15.760 -11.583 1.00 0.00 C ATOM 684 N6 DA B 20 -3.129 -14.964 -12.643 1.00 0.00 N ATOM 685 N1 DA B 20 -4.509 -16.078 -11.174 1.00 0.00 N ATOM 686 C2 DA B 20 -4.654 -16.876 -10.123 1.00 0.00 C ATOM 687 N3 DA B 20 -3.725 -17.441 -9.370 1.00 0.00 N ATOM 688 C4 DA B 20 -2.497 -17.100 -9.807 1.00 0.00 C ATOM 0 H5' DA B 20 1.394 -16.576 -6.256 1.00 0.00 H new ATOM 0 H5'' DA B 20 1.981 -17.759 -5.104 1.00 0.00 H new ATOM 0 H4' DA B 20 -0.087 -18.517 -5.151 1.00 0.00 H new ATOM 0 H3' DA B 20 1.274 -20.244 -6.759 1.00 0.00 H new ATOM 0 H2' DA B 20 0.756 -19.091 -8.879 1.00 0.00 H new ATOM 0 H2'' DA B 20 -0.481 -20.331 -8.809 1.00 0.00 H new ATOM 0 HO3' DA B 20 -0.587 -21.529 -6.694 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.125 -18.845 -7.937 1.00 0.00 H new ATOM 0 H8 DA B 20 0.726 -17.037 -9.859 1.00 0.00 H new ATOM 0 H61 DA B 20 -3.953 -14.605 -13.124 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.197 -14.714 -12.973 1.00 0.00 H new ATOM 0 H2 DA B 20 -5.674 -17.095 -9.844 1.00 0.00 H new TER 701 DA B 20