USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=2 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= -1.04 (180deg=-1.04) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= -2.25 (180deg=-2.25) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.554 -6.483 -9.700 1.00 0.00 C HETATM 2 C4' XTY A 1 -12.779 -7.847 -9.046 1.00 0.00 C HETATM 3 O4' XTY A 1 -12.083 -8.848 -9.801 1.00 0.00 O HETATM 4 C3' XTY A 1 -12.239 -7.976 -7.625 1.00 0.00 C HETATM 5 C2' XTY A 1 -10.859 -8.583 -7.818 1.00 0.00 C HETATM 6 C1' XTY A 1 -11.081 -9.507 -9.010 1.00 0.00 C HETATM 7 O5' XTY A 1 -11.865 -5.580 -8.831 1.00 0.00 O HETATM 8 C2 XTY A 1 -8.792 -13.012 -9.005 1.00 0.00 C HETATM 9 O2 XTY A 1 -9.121 -13.982 -8.322 1.00 0.00 O HETATM 10 N3 XTY A 1 -7.659 -13.053 -9.796 1.00 0.00 N HETATM 11 C4 XTY A 1 -7.219 -12.020 -10.590 1.00 0.00 C HETATM 12 O4 XTY A 1 -6.204 -12.150 -11.271 1.00 0.00 O HETATM 13 C5 XTY A 1 -7.967 -10.840 -10.598 1.00 0.00 C HETATM 14 C6 XTY A 1 -9.136 -10.761 -9.799 1.00 0.00 C HETATM 15 N XTY A 1 -9.546 -11.840 -9.006 1.00 0.00 N HETATM 16 CP XTY A 1 -7.559 -9.746 -11.392 1.00 0.00 C HETATM 17 CD XTY A 1 -9.481 -8.490 -10.598 1.00 0.00 C HETATM 18 C8 XTY A 1 -9.910 -9.574 -9.792 1.00 0.00 C HETATM 19 C7 XTY A 1 -8.319 -8.578 -11.386 1.00 0.00 C HETATM 20 C7A XTY A 1 -7.882 -7.386 -12.231 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.044 -8.957 -6.960 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -6.891 -7.060 -11.915 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -7.850 -7.677 -13.281 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -8.592 -6.569 -12.102 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -11.981 -6.611 -10.618 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -13.515 -6.053 -9.982 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -10.105 -7.824 -8.026 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -10.527 -9.129 -6.935 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.659 -9.814 -12.003 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -7.109 -13.912 -9.790 1.00 0.00 H new HETATM 0 HN XTY A 1 -10.388 -11.769 -8.435 1.00 0.00 H new HETATM 0 HD XTY A 1 -10.064 -7.569 -10.607 1.00 0.00 H new HETATM 0 H4' XTY A 1 -13.862 -7.967 -9.021 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.232 -7.039 -7.068 1.00 0.00 H new HETATM 0 H1' XTY A 1 -11.356 -10.512 -8.691 1.00 0.00 H new ATOM 37 P DG A 2 -13.687 -8.652 -5.513 1.00 0.00 P ATOM 38 OP1 DG A 2 -13.608 -7.194 -5.267 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.993 -9.343 -5.431 1.00 0.00 O ATOM 40 O5' DG A 2 -12.664 -9.386 -4.509 1.00 0.00 O ATOM 41 C5' DG A 2 -12.077 -10.647 -4.851 1.00 0.00 C ATOM 42 C4' DG A 2 -10.887 -10.980 -3.951 1.00 0.00 C ATOM 43 O4' DG A 2 -9.699 -11.047 -4.758 1.00 0.00 O ATOM 44 C3' DG A 2 -10.583 -9.936 -2.878 1.00 0.00 C ATOM 45 O3' DG A 2 -9.968 -10.626 -1.784 1.00 0.00 O ATOM 46 C2' DG A 2 -9.516 -9.061 -3.515 1.00 0.00 C ATOM 47 C1' DG A 2 -8.730 -10.080 -4.331 1.00 0.00 C ATOM 48 N9 DG A 2 -8.091 -9.493 -5.526 1.00 0.00 N ATOM 49 C8 DG A 2 -8.299 -8.260 -6.094 1.00 0.00 C ATOM 50 N7 DG A 2 -7.580 -8.043 -7.156 1.00 0.00 N ATOM 51 C5 DG A 2 -6.842 -9.209 -7.307 1.00 0.00 C ATOM 52 C6 DG A 2 -5.884 -9.554 -8.295 1.00 0.00 C ATOM 53 O6 DG A 2 -5.494 -8.879 -9.242 1.00 0.00 O ATOM 54 N1 DG A 2 -5.371 -10.824 -8.089 1.00 0.00 N ATOM 55 C2 DG A 2 -5.730 -11.664 -7.062 1.00 0.00 C ATOM 56 N2 DG A 2 -5.124 -12.854 -7.012 1.00 0.00 N ATOM 57 N3 DG A 2 -6.633 -11.351 -6.126 1.00 0.00 N ATOM 58 C4 DG A 2 -7.145 -10.109 -6.314 1.00 0.00 C ATOM 0 H5' DG A 2 -11.752 -10.627 -5.891 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.828 -11.433 -4.767 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.157 -11.915 -3.461 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.459 -9.382 -2.542 1.00 0.00 H new ATOM 0 H2' DG A 2 -9.947 -8.280 -4.141 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.894 -8.565 -2.770 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.925 -10.496 -3.725 1.00 0.00 H new ATOM 0 H8 DG A 2 -8.995 -7.537 -5.696 1.00 0.00 H new ATOM 0 H1 DG A 2 -4.672 -11.162 -8.751 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.356 -13.513 -6.269 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.430 -13.103 -7.717 1.00 0.00 H new HETATM 70 P XTY A 3 -10.236 -10.162 -0.264 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.000 -11.229 0.421 1.00 0.00 O HETATM 72 OP2 XTY A 3 -10.760 -8.777 -0.288 1.00 0.00 O HETATM 73 C5' XTY A 3 -7.596 -10.177 -0.472 1.00 0.00 C HETATM 74 C4' XTY A 3 -6.440 -9.374 0.118 1.00 0.00 C HETATM 75 O4' XTY A 3 -5.689 -8.791 -0.956 1.00 0.00 O HETATM 76 C3' XTY A 3 -6.864 -8.200 0.992 1.00 0.00 C HETATM 77 C2' XTY A 3 -6.875 -7.020 0.036 1.00 0.00 C HETATM 78 C1' XTY A 3 -5.713 -7.353 -0.905 1.00 0.00 C HETATM 79 O5' XTY A 3 -8.754 -10.121 0.367 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.248 -8.654 -3.957 1.00 0.00 C HETATM 81 O2 XTY A 3 -2.320 -9.419 -3.707 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.488 -8.220 -5.247 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.508 -7.360 -5.608 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.657 -7.025 -6.780 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.357 -6.897 -4.598 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.138 -7.330 -3.267 1.00 0.00 C HETATM 87 N XTY A 3 -4.096 -8.199 -2.949 1.00 0.00 N HETATM 88 CP XTY A 3 -6.414 -6.012 -4.901 1.00 0.00 C HETATM 89 CD XTY A 3 -7.034 -5.997 -2.547 1.00 0.00 C HETATM 90 C8 XTY A 3 -5.975 -6.887 -2.220 1.00 0.00 C HETATM 91 C7 XTY A 3 -7.248 -5.568 -3.871 1.00 0.00 C HETATM 92 C7A XTY A 3 -8.407 -4.626 -4.186 1.00 0.00 C HETATM 93 O3' XTY A 3 -5.816 -7.971 1.937 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -8.020 -3.708 -4.628 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -9.087 -5.108 -4.888 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -8.943 -4.389 -3.267 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -7.842 -9.790 -1.461 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -7.290 -11.215 -0.603 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.821 -6.939 -0.499 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.720 -6.074 0.555 1.00 0.00 H new HETATM 0 HP XTY A 3 -6.578 -5.679 -5.926 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -2.869 -8.558 -5.984 1.00 0.00 H new HETATM 0 HN XTY A 3 -3.955 -8.500 -1.985 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.694 -5.639 -1.757 1.00 0.00 H new HETATM 0 H4' XTY A 3 -5.882 -10.083 0.730 1.00 0.00 H new HETATM 0 H3' XTY A 3 -7.813 -8.358 1.504 1.00 0.00 H new HETATM 0 H1' XTY A 3 -4.785 -6.899 -0.557 1.00 0.00 H new ATOM 108 P DA A 4 -6.110 -8.081 3.518 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.341 -6.716 4.039 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.128 -9.135 3.730 1.00 0.00 O ATOM 111 O5' DA A 4 -4.708 -8.610 4.104 1.00 0.00 O ATOM 112 C5' DA A 4 -4.033 -9.725 3.513 1.00 0.00 C ATOM 113 C4' DA A 4 -2.521 -9.592 3.658 1.00 0.00 C ATOM 114 O4' DA A 4 -2.014 -8.846 2.539 1.00 0.00 O ATOM 115 C3' DA A 4 -2.072 -8.813 4.892 1.00 0.00 C ATOM 116 O3' DA A 4 -0.755 -9.264 5.225 1.00 0.00 O ATOM 117 C2' DA A 4 -1.945 -7.389 4.381 1.00 0.00 C ATOM 118 C1' DA A 4 -1.411 -7.621 2.972 1.00 0.00 C ATOM 119 N9 DA A 4 -1.782 -6.541 2.037 1.00 0.00 N ATOM 120 C8 DA A 4 -2.808 -5.634 2.133 1.00 0.00 C ATOM 121 N7 DA A 4 -2.842 -4.780 1.151 1.00 0.00 N ATOM 122 C5 DA A 4 -1.770 -5.150 0.349 1.00 0.00 C ATOM 123 C6 DA A 4 -1.265 -4.636 -0.852 1.00 0.00 C ATOM 124 N6 DA A 4 -1.773 -3.569 -1.462 1.00 0.00 N ATOM 125 N1 DA A 4 -0.191 -5.236 -1.390 1.00 0.00 N ATOM 126 C2 DA A 4 0.344 -6.274 -0.760 1.00 0.00 C ATOM 127 N3 DA A 4 -0.034 -6.849 0.371 1.00 0.00 N ATOM 128 C4 DA A 4 -1.116 -6.222 0.877 1.00 0.00 C ATOM 0 H5' DA A 4 -4.295 -9.795 2.457 1.00 0.00 H new ATOM 0 H5'' DA A 4 -4.367 -10.648 3.986 1.00 0.00 H new ATOM 0 H4' DA A 4 -2.147 -10.613 3.729 1.00 0.00 H new ATOM 0 H3' DA A 4 -2.738 -8.919 5.748 1.00 0.00 H new ATOM 0 H2' DA A 4 -2.902 -6.867 4.377 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.261 -6.795 4.987 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.321 -7.652 2.984 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.519 -5.629 2.946 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.364 -3.238 -2.336 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.571 -3.081 -1.056 1.00 0.00 H new ATOM 0 H2 DA A 4 1.209 -6.711 -1.237 1.00 0.00 H new HETATM 140 P XCS A 5 -0.186 -9.103 6.725 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.315 -8.758 7.620 1.00 0.00 O HETATM 142 C6 XCS A 5 -0.185 -3.002 3.115 1.00 0.00 C HETATM 143 C2 XCS A 5 1.065 -2.721 1.083 1.00 0.00 C HETATM 144 O2 XCS A 5 2.122 -2.847 0.471 1.00 0.00 O HETATM 145 N3 XCS A 5 -0.044 -2.185 0.479 1.00 0.00 N HETATM 146 C4 XCS A 5 -1.205 -2.044 1.139 1.00 0.00 C HETATM 147 N4 XCS A 5 -2.237 -1.508 0.484 1.00 0.00 N HETATM 148 C5 XCS A 5 -1.321 -2.458 2.502 1.00 0.00 C HETATM 149 OP1 XCS A 5 0.664 -10.276 7.027 1.00 0.00 O HETATM 150 O5' XCS A 5 0.767 -7.809 6.599 1.00 0.00 O HETATM 151 C5' XCS A 5 1.337 -7.438 5.336 1.00 0.00 C HETATM 152 C4' XCS A 5 1.958 -6.046 5.378 1.00 0.00 C HETATM 153 O4' XCS A 5 1.296 -5.183 4.431 1.00 0.00 O HETATM 154 C1' XCS A 5 0.968 -3.930 5.041 1.00 0.00 C HETATM 155 ND XCS A 5 0.997 -3.135 2.416 1.00 0.00 N HETATM 156 CP XCS A 5 -2.535 -2.319 3.207 1.00 0.00 C HETATM 157 CD XCS A 5 -1.459 -3.283 5.162 1.00 0.00 C HETATM 158 C8 XCS A 5 -0.227 -3.427 4.460 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.596 -2.732 4.537 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.899 -2.584 5.318 1.00 0.00 C HETATM 161 C2' XCS A 5 0.773 -4.286 6.514 1.00 0.00 C HETATM 162 C3' XCS A 5 1.849 -5.335 6.729 1.00 0.00 C HETATM 163 O3' XCS A 5 3.082 -4.650 6.948 1.00 0.00 O HETATM 0 HN42 XCS A 5 -3.133 -1.387 0.956 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -2.130 -1.220 -0.488 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -4.185 -1.533 5.354 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.685 -3.157 4.826 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.759 -2.957 6.333 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 2.097 -8.166 5.053 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.565 -7.468 4.567 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 0.910 -3.422 7.164 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 -0.225 -4.678 6.711 1.00 0.00 H new HETATM 0 HP XCS A 5 -3.412 -1.895 2.719 1.00 0.00 H new HETATM 0 HND XCS A 5 1.818 -3.534 2.871 1.00 0.00 H new HETATM 0 HD XCS A 5 -1.523 -3.605 6.201 1.00 0.00 H new HETATM 0 H4' XCS A 5 3.012 -6.215 5.155 1.00 0.00 H new HETATM 0 H3' XCS A 5 1.633 -6.008 7.559 1.00 0.00 H new HETATM 0 H1' XCS A 5 1.726 -3.158 4.909 1.00 0.00 H new HETATM 179 P XGA A 6 4.140 -5.214 8.023 1.00 0.00 P HETATM 180 OP1 XGA A 6 4.171 -6.692 7.914 1.00 0.00 O HETATM 181 OP2 XGA A 6 3.859 -4.577 9.329 1.00 0.00 O HETATM 182 C5' XGA A 6 6.019 -5.019 6.179 1.00 0.00 C HETATM 183 O5' XGA A 6 5.535 -4.639 7.471 1.00 0.00 O HETATM 184 C4' XGA A 6 6.824 -3.895 5.540 1.00 0.00 C HETATM 185 O4' XGA A 6 5.923 -3.034 4.830 1.00 0.00 O HETATM 186 C3' XGA A 6 7.553 -2.994 6.529 1.00 0.00 C HETATM 187 C2' XGA A 6 6.608 -1.821 6.732 1.00 0.00 C HETATM 188 C1' XGA A 6 5.932 -1.708 5.369 1.00 0.00 C HETATM 189 N9 XGA A 6 4.575 -1.195 5.442 1.00 0.00 N HETATM 190 C8 XGA A 6 3.633 -1.513 6.390 1.00 0.00 C HETATM 191 N7 XGA A 6 2.504 -0.875 6.196 1.00 0.00 N HETATM 192 C4 XGA A 6 3.599 1.267 2.772 1.00 0.00 C HETATM 193 C5 XGA A 6 2.292 1.465 3.264 1.00 0.00 C HETATM 194 N3 XGA A 6 4.058 1.898 1.684 1.00 0.00 N HETATM 195 C2 XGA A 6 3.208 2.746 1.060 1.00 0.00 C HETATM 196 N2 XGA A 6 3.650 3.388 -0.048 1.00 0.00 N HETATM 197 N1 XGA A 6 1.946 2.991 1.465 1.00 0.00 N HETATM 198 C6 XGA A 6 1.454 2.352 2.586 1.00 0.00 C HETATM 199 O6 XGA A 6 0.301 2.563 2.963 1.00 0.00 O HETATM 200 C10 XGA A 6 4.001 -0.287 4.578 1.00 0.00 C HETATM 201 C11 XGA A 6 2.712 -0.111 5.080 1.00 0.00 C HETATM 202 CP XGA A 6 1.842 0.773 4.422 1.00 0.00 C HETATM 203 CD XGA A 6 4.460 0.390 3.432 1.00 0.00 C HETATM 204 O3' XGA A 6 8.713 -2.491 5.863 1.00 0.00 O HETATM 0 HN22 XGA A 6 3.035 4.034 -0.543 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.598 3.225 -0.388 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 6.641 -5.910 6.268 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.179 -5.280 5.535 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 5.888 -2.012 7.528 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.143 -0.909 6.997 1.00 0.00 H new HETATM 0 HP XGA A 6 0.830 0.928 4.796 1.00 0.00 H new HETATM 0 HN1 XGA A 6 1.358 3.644 0.947 1.00 0.00 H new HETATM 0 HD XGA A 6 5.474 0.231 3.066 1.00 0.00 H new HETATM 0 H8 XGA A 6 3.804 -2.213 7.207 1.00 0.00 H new HETATM 0 H4' XGA A 6 7.565 -4.391 4.913 1.00 0.00 H new HETATM 0 H3' XGA A 6 7.826 -3.497 7.457 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.477 -0.998 4.747 1.00 0.00 H new ATOM 218 P DC A 7 10.003 -2.013 6.703 1.00 0.00 P ATOM 219 OP1 DC A 7 11.116 -2.944 6.408 1.00 0.00 O ATOM 220 OP2 DC A 7 9.588 -1.780 8.104 1.00 0.00 O ATOM 221 O5' DC A 7 10.351 -0.588 6.039 1.00 0.00 O ATOM 222 C5' DC A 7 9.824 -0.228 4.756 1.00 0.00 C ATOM 223 C4' DC A 7 10.069 1.243 4.436 1.00 0.00 C ATOM 224 O4' DC A 7 8.805 1.889 4.212 1.00 0.00 O ATOM 225 C3' DC A 7 10.739 2.040 5.555 1.00 0.00 C ATOM 226 O3' DC A 7 11.541 3.044 4.926 1.00 0.00 O ATOM 227 C2' DC A 7 9.585 2.758 6.240 1.00 0.00 C ATOM 228 C1' DC A 7 8.660 3.030 5.064 1.00 0.00 C ATOM 229 N1 DC A 7 7.241 3.156 5.464 1.00 0.00 N ATOM 230 C2 DC A 7 6.568 4.311 5.090 1.00 0.00 C ATOM 231 O2 DC A 7 7.145 5.190 4.451 1.00 0.00 O ATOM 232 N3 DC A 7 5.262 4.447 5.442 1.00 0.00 N ATOM 233 C4 DC A 7 4.633 3.488 6.132 1.00 0.00 C ATOM 234 N4 DC A 7 3.350 3.683 6.438 1.00 0.00 N ATOM 235 C5 DC A 7 5.318 2.296 6.523 1.00 0.00 C ATOM 236 C6 DC A 7 6.612 2.170 6.171 1.00 0.00 C ATOM 0 H5' DC A 7 8.753 -0.432 4.733 1.00 0.00 H new ATOM 0 H5'' DC A 7 10.284 -0.849 3.987 1.00 0.00 H new ATOM 0 H4' DC A 7 10.732 1.236 3.571 1.00 0.00 H new ATOM 0 H3' DC A 7 11.336 1.428 6.232 1.00 0.00 H new ATOM 0 H2' DC A 7 9.110 2.139 7.001 1.00 0.00 H new ATOM 0 H2'' DC A 7 9.906 3.677 6.731 1.00 0.00 H new ATOM 0 H1' DC A 7 8.924 3.975 4.589 1.00 0.00 H new ATOM 0 H41 DC A 7 2.837 2.974 6.963 1.00 0.00 H new ATOM 0 H42 DC A 7 2.881 4.541 6.147 1.00 0.00 H new ATOM 0 H5 DC A 7 4.814 1.522 7.082 1.00 0.00 H new ATOM 0 H6 DC A 7 7.158 1.281 6.450 1.00 0.00 H new HETATM 248 P XAE A 8 12.828 3.661 5.673 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.031 2.953 5.183 1.00 0.00 O HETATM 250 OP2 XAE A 8 12.543 3.714 7.124 1.00 0.00 O HETATM 251 C5' XAE A 8 12.317 5.493 3.831 1.00 0.00 C HETATM 252 C4' XAE A 8 11.850 6.945 3.766 1.00 0.00 C HETATM 253 O4' XAE A 8 10.454 7.004 4.108 1.00 0.00 O HETATM 254 C3' XAE A 8 12.544 7.883 4.755 1.00 0.00 C HETATM 255 C2' XAE A 8 11.573 7.965 5.919 1.00 0.00 C HETATM 256 C1' XAE A 8 10.237 7.913 5.192 1.00 0.00 C HETATM 257 O5' XAE A 8 12.868 5.171 5.112 1.00 0.00 O HETATM 258 N9 XAE A 8 9.131 7.457 6.019 1.00 0.00 N HETATM 259 C8 XAE A 8 9.197 6.543 7.041 1.00 0.00 C HETATM 260 N7 XAE A 8 8.025 6.338 7.595 1.00 0.00 N HETATM 261 C5 XAE A 8 5.085 8.240 6.236 1.00 0.00 C HETATM 262 C4 XAE A 8 5.768 8.960 5.232 1.00 0.00 C HETATM 263 C6 XAE A 8 3.682 8.465 6.365 1.00 0.00 C HETATM 264 N6 XAE A 8 2.944 7.833 7.278 1.00 0.00 N HETATM 265 N1 XAE A 8 3.080 9.332 5.545 1.00 0.00 N HETATM 266 C2 XAE A 8 3.830 9.953 4.634 1.00 0.00 C HETATM 267 N3 XAE A 8 5.145 9.846 4.396 1.00 0.00 N HETATM 268 C10 XAE A 8 7.816 7.866 5.913 1.00 0.00 C HETATM 269 C11 XAE A 8 7.158 7.148 6.912 1.00 0.00 C HETATM 270 CP XAE A 8 5.776 7.331 7.082 1.00 0.00 C HETATM 271 CD XAE A 8 7.142 8.771 5.070 1.00 0.00 C HETATM 272 O3' XAE A 8 12.580 9.178 4.145 1.00 0.00 O HETATM 0 HN62 XAE A 8 1.943 8.018 7.342 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.380 7.164 7.912 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 11.477 4.831 3.619 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.065 5.316 3.058 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.695 7.136 6.616 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.694 8.884 6.492 1.00 0.00 H new HETATM 0 HP XAE A 8 5.239 6.781 7.855 1.00 0.00 H new HETATM 0 HD XAE A 8 7.687 9.317 4.300 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.115 6.046 7.355 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.081 7.270 2.751 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.545 7.560 5.041 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.296 10.650 3.988 1.00 0.00 H new HETATM 0 H1' XAE A 8 9.943 8.914 4.876 1.00 0.00 H new HETATM 286 P XGA A 9 13.692 10.262 4.572 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.742 10.283 3.529 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.061 10.022 5.985 1.00 0.00 O HETATM 289 C5' XGA A 9 11.911 11.871 3.461 1.00 0.00 C HETATM 290 O5' XGA A 9 12.877 11.649 4.495 1.00 0.00 O HETATM 291 C4' XGA A 9 10.915 12.964 3.841 1.00 0.00 C HETATM 292 O4' XGA A 9 9.767 12.357 4.458 1.00 0.00 O HETATM 293 C3' XGA A 9 11.430 13.982 4.861 1.00 0.00 C HETATM 294 C2' XGA A 9 10.848 13.508 6.185 1.00 0.00 C HETATM 295 C1' XGA A 9 9.509 12.940 5.739 1.00 0.00 C HETATM 296 N9 XGA A 9 8.973 11.941 6.645 1.00 0.00 N HETATM 297 C8 XGA A 9 9.665 10.900 7.208 1.00 0.00 C HETATM 298 N7 XGA A 9 8.909 10.173 7.994 1.00 0.00 N HETATM 299 C4 XGA A 9 5.339 12.308 7.534 1.00 0.00 C HETATM 300 C5 XGA A 9 5.314 11.188 8.389 1.00 0.00 C HETATM 301 N3 XGA A 9 4.257 13.065 7.311 1.00 0.00 N HETATM 302 C2 XGA A 9 3.118 12.710 7.948 1.00 0.00 C HETATM 303 N2 XGA A 9 2.013 13.464 7.734 1.00 0.00 N HETATM 304 N1 XGA A 9 3.009 11.656 8.781 1.00 0.00 N HETATM 305 C6 XGA A 9 4.115 10.863 9.023 1.00 0.00 C HETATM 306 O6 XGA A 9 4.036 9.904 9.789 1.00 0.00 O HETATM 307 C10 XGA A 9 7.677 11.877 7.108 1.00 0.00 C HETATM 308 C11 XGA A 9 7.674 10.762 7.946 1.00 0.00 C HETATM 309 CP XGA A 9 6.484 10.408 8.597 1.00 0.00 C HETATM 310 CD XGA A 9 6.527 12.658 6.891 1.00 0.00 C HETATM 311 O3' XGA A 9 10.805 15.232 4.554 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.136 13.226 8.197 1.00 0.00 H new HETATM 0 HN21 XGA A 9 2.058 14.269 7.109 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.422 12.150 2.540 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.374 10.944 3.260 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.475 12.755 6.663 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.731 14.324 6.898 1.00 0.00 H new HETATM 0 HP XGA A 9 6.456 9.541 9.258 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.117 11.445 9.229 1.00 0.00 H new HETATM 0 HD XGA A 9 6.564 13.524 6.230 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.721 10.700 7.024 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.705 13.485 2.907 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.516 14.079 4.871 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.756 13.727 5.715 1.00 0.00 H new ATOM 325 P DT A 10 11.473 16.628 5.007 1.00 0.00 P ATOM 326 OP1 DT A 10 11.897 17.354 3.789 1.00 0.00 O ATOM 327 OP2 DT A 10 12.455 16.349 6.080 1.00 0.00 O ATOM 328 O5' DT A 10 10.227 17.419 5.658 1.00 0.00 O ATOM 329 C5' DT A 10 8.963 16.771 5.832 1.00 0.00 C ATOM 330 C4' DT A 10 7.999 17.611 6.668 1.00 0.00 C ATOM 331 O4' DT A 10 7.160 16.729 7.427 1.00 0.00 O ATOM 332 C3' DT A 10 8.664 18.527 7.698 1.00 0.00 C ATOM 333 O3' DT A 10 7.867 19.693 7.919 1.00 0.00 O ATOM 334 C2' DT A 10 8.691 17.654 8.946 1.00 0.00 C ATOM 335 C1' DT A 10 7.369 16.904 8.830 1.00 0.00 C ATOM 336 N1 DT A 10 7.395 15.570 9.480 1.00 0.00 N ATOM 337 C2 DT A 10 6.264 15.177 10.180 1.00 0.00 C ATOM 338 O2 DT A 10 5.262 15.885 10.271 1.00 0.00 O ATOM 339 N3 DT A 10 6.320 13.931 10.778 1.00 0.00 N ATOM 340 C4 DT A 10 7.391 13.057 10.742 1.00 0.00 C ATOM 341 O4 DT A 10 7.324 11.972 11.314 1.00 0.00 O ATOM 342 C5 DT A 10 8.526 13.546 9.993 1.00 0.00 C ATOM 343 C7 DT A 10 9.782 12.687 9.887 1.00 0.00 C ATOM 344 C6 DT A 10 8.498 14.754 9.398 1.00 0.00 C ATOM 0 H5' DT A 10 9.114 15.805 6.314 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.519 16.574 4.856 1.00 0.00 H new ATOM 0 H4' DT A 10 7.470 18.234 5.947 1.00 0.00 H new ATOM 0 H3' DT A 10 9.647 18.886 7.394 1.00 0.00 H new ATOM 0 H2' DT A 10 9.546 16.978 8.953 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.746 18.247 9.859 1.00 0.00 H new ATOM 0 HO3' DT A 10 8.305 20.268 8.581 1.00 0.00 H new ATOM 0 H1' DT A 10 6.581 17.469 9.329 1.00 0.00 H new ATOM 0 H3 DT A 10 5.494 13.628 11.294 1.00 0.00 H new ATOM 0 H71 DT A 10 10.284 12.892 8.941 1.00 0.00 H new ATOM 0 H72 DT A 10 10.454 12.921 10.713 1.00 0.00 H new ATOM 0 H73 DT A 10 9.507 11.633 9.931 1.00 0.00 H new ATOM 0 H6 DT A 10 9.362 15.089 8.844 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -3.609 7.028 16.373 1.00 0.00 C HETATM 360 C4' XAE B 11 -3.834 8.318 15.586 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.632 9.100 15.621 1.00 0.00 O HETATM 362 C3' XAE B 11 -4.146 8.118 14.107 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.806 8.290 13.410 1.00 0.00 C HETATM 364 C1' XAE B 11 -2.080 9.282 14.310 1.00 0.00 C HETATM 365 O5' XAE B 11 -3.605 5.879 15.520 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.645 9.060 14.357 1.00 0.00 N HETATM 367 C8 XAE B 11 -0.010 8.021 14.990 1.00 0.00 C HETATM 368 N7 XAE B 11 1.293 8.089 14.867 1.00 0.00 N HETATM 369 C5 XAE B 11 2.723 10.968 12.927 1.00 0.00 C HETATM 370 C4 XAE B 11 1.508 11.599 12.588 1.00 0.00 C HETATM 371 C6 XAE B 11 3.930 11.574 12.467 1.00 0.00 C HETATM 372 N6 XAE B 11 5.129 11.059 12.738 1.00 0.00 N HETATM 373 N1 XAE B 11 3.864 12.697 11.746 1.00 0.00 N HETATM 374 C2 XAE B 11 2.658 13.203 11.487 1.00 0.00 C HETATM 375 N3 XAE B 11 1.447 12.750 11.848 1.00 0.00 N HETATM 376 C10 XAE B 11 0.330 9.855 13.784 1.00 0.00 C HETATM 377 C11 XAE B 11 1.524 9.217 14.125 1.00 0.00 C HETATM 378 CP XAE B 11 2.738 9.774 13.695 1.00 0.00 C HETATM 379 CD XAE B 11 0.302 11.040 13.022 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.978 9.207 13.698 1.00 0.00 O HETATM 0 HN62 XAE B 11 5.971 11.519 12.393 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.204 10.205 13.291 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -2.660 7.088 16.906 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -4.391 6.920 17.125 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -2.267 7.346 13.332 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.924 8.675 12.397 1.00 0.00 H new HETATM 0 HP XAE B 11 3.684 9.295 13.948 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.647 11.515 12.774 1.00 0.00 H new HETATM 0 H8 XAE B 11 -0.529 7.231 15.532 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.694 8.792 16.060 1.00 0.00 H new HETATM 0 H3' XAE B 11 -4.625 7.163 13.893 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.655 14.119 10.896 1.00 0.00 H new HETATM 0 H1' XAE B 11 -2.217 10.292 13.924 1.00 0.00 H new ATOM 395 P DC B 12 -6.217 8.960 12.696 1.00 0.00 P ATOM 396 OP1 DC B 12 -6.087 7.603 12.116 1.00 0.00 O ATOM 397 OP2 DC B 12 -7.462 9.348 13.397 1.00 0.00 O ATOM 398 O5' DC B 12 -5.942 10.032 11.526 1.00 0.00 O ATOM 399 C5' DC B 12 -5.532 11.366 11.843 1.00 0.00 C ATOM 400 C4' DC B 12 -4.994 12.099 10.616 1.00 0.00 C ATOM 401 O4' DC B 12 -3.559 12.044 10.631 1.00 0.00 O ATOM 402 C3' DC B 12 -5.414 11.502 9.270 1.00 0.00 C ATOM 403 O3' DC B 12 -5.575 12.594 8.357 1.00 0.00 O ATOM 404 C2' DC B 12 -4.200 10.712 8.814 1.00 0.00 C ATOM 405 C1' DC B 12 -3.057 11.536 9.393 1.00 0.00 C ATOM 406 N1 DC B 12 -1.831 10.741 9.655 1.00 0.00 N ATOM 407 C2 DC B 12 -0.608 11.354 9.414 1.00 0.00 C ATOM 408 O2 DC B 12 -0.563 12.517 9.015 1.00 0.00 O ATOM 409 N3 DC B 12 0.532 10.645 9.631 1.00 0.00 N ATOM 410 C4 DC B 12 0.482 9.380 10.065 1.00 0.00 C ATOM 411 N4 DC B 12 1.635 8.742 10.260 1.00 0.00 N ATOM 412 C5 DC B 12 -0.767 8.739 10.315 1.00 0.00 C ATOM 413 C6 DC B 12 -1.893 9.448 10.102 1.00 0.00 C ATOM 0 H5' DC B 12 -4.763 11.336 12.615 1.00 0.00 H new ATOM 0 H5'' DC B 12 -6.377 11.918 12.255 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.407 13.105 10.688 1.00 0.00 H new ATOM 0 H3' DC B 12 -6.324 10.904 9.325 1.00 0.00 H new ATOM 0 H2' DC B 12 -4.206 9.693 9.201 1.00 0.00 H new ATOM 0 H2'' DC B 12 -4.143 10.640 7.728 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.762 12.309 8.683 1.00 0.00 H new ATOM 0 H41 DC B 12 1.634 7.777 10.590 1.00 0.00 H new ATOM 0 H42 DC B 12 2.518 9.219 10.079 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.809 7.718 10.664 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.854 8.992 10.286 1.00 0.00 H new ATOM 425 P DT B 13 -6.623 12.498 7.135 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.399 13.757 7.091 1.00 0.00 O ATOM 427 OP2 DT B 13 -7.330 11.200 7.226 1.00 0.00 O ATOM 428 O5' DT B 13 -5.657 12.454 5.847 1.00 0.00 O ATOM 429 C5' DT B 13 -4.833 13.576 5.516 1.00 0.00 C ATOM 430 C4' DT B 13 -3.995 13.313 4.267 1.00 0.00 C ATOM 431 O4' DT B 13 -2.770 12.673 4.658 1.00 0.00 O ATOM 432 C3' DT B 13 -4.639 12.372 3.246 1.00 0.00 C ATOM 433 O3' DT B 13 -4.227 12.812 1.948 1.00 0.00 O ATOM 434 C2' DT B 13 -3.966 11.032 3.495 1.00 0.00 C ATOM 435 C1' DT B 13 -2.568 11.467 3.919 1.00 0.00 C ATOM 436 N1 DT B 13 -1.874 10.481 4.787 1.00 0.00 N ATOM 437 C2 DT B 13 -0.492 10.410 4.690 1.00 0.00 C ATOM 438 O2 DT B 13 0.154 11.123 3.924 1.00 0.00 O ATOM 439 N3 DT B 13 0.130 9.485 5.509 1.00 0.00 N ATOM 440 C4 DT B 13 -0.497 8.635 6.401 1.00 0.00 C ATOM 441 O4 DT B 13 0.166 7.853 7.080 1.00 0.00 O ATOM 442 C5 DT B 13 -1.934 8.773 6.437 1.00 0.00 C ATOM 443 C7 DT B 13 -2.756 7.879 7.362 1.00 0.00 C ATOM 444 C6 DT B 13 -2.566 9.668 5.653 1.00 0.00 C ATOM 0 H5' DT B 13 -4.175 13.804 6.354 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.460 14.453 5.355 1.00 0.00 H new ATOM 0 H4' DT B 13 -3.867 14.290 3.801 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.726 12.334 3.318 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.470 10.458 4.272 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.948 10.410 2.600 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.935 11.579 3.038 1.00 0.00 H new ATOM 0 H3 DT B 13 1.146 9.424 5.449 1.00 0.00 H new ATOM 0 H71 DT B 13 -3.655 8.409 7.676 1.00 0.00 H new ATOM 0 H72 DT B 13 -3.038 6.969 6.833 1.00 0.00 H new ATOM 0 H73 DT B 13 -2.163 7.620 8.239 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.642 9.749 5.706 1.00 0.00 H new HETATM 457 P XGA B 14 -5.117 12.480 0.646 1.00 0.00 P HETATM 458 OP1 XGA B 14 -5.671 13.752 0.129 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.025 11.358 0.973 1.00 0.00 O HETATM 460 C5' XGA B 14 -2.703 12.510 -0.440 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.019 11.945 -0.405 1.00 0.00 O HETATM 462 C4' XGA B 14 -1.727 11.628 -1.217 1.00 0.00 C HETATM 463 O4' XGA B 14 -0.983 10.829 -0.285 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.380 10.632 -2.173 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.435 9.337 -1.374 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.162 9.431 -0.542 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.228 8.706 0.717 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.348 8.504 1.486 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.080 7.828 2.578 1.00 0.00 N HETATM 470 C4 XGA B 14 2.029 7.309 1.979 1.00 0.00 C HETATM 471 C5 XGA B 14 1.476 6.761 3.155 1.00 0.00 C HETATM 472 N3 XGA B 14 3.331 7.203 1.683 1.00 0.00 N HETATM 473 C2 XGA B 14 4.111 6.541 2.568 1.00 0.00 C HETATM 474 N2 XGA B 14 5.430 6.420 2.284 1.00 0.00 N HETATM 475 N1 XGA B 14 3.662 5.989 3.712 1.00 0.00 N HETATM 476 C6 XGA B 14 2.323 6.086 4.037 1.00 0.00 C HETATM 477 O6 XGA B 14 1.902 5.590 5.082 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.166 8.114 1.369 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.735 7.578 2.524 1.00 0.00 C HETATM 480 CP XGA B 14 0.087 6.893 3.431 1.00 0.00 C HETATM 481 CD XGA B 14 1.206 7.990 1.082 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.461 10.424 -3.251 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.047 5.927 2.929 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.806 6.822 1.425 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -2.744 13.498 -0.898 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.339 12.646 0.578 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.327 9.278 -0.751 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.438 8.458 -2.019 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.335 6.465 4.340 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.307 5.502 4.334 1.00 0.00 H new HETATM 0 HD XGA B 14 1.620 8.421 0.170 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.342 8.863 1.220 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.124 12.323 -1.802 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.352 10.955 -2.547 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.335 8.976 -1.088 1.00 0.00 H new ATOM 496 P DC B 15 -1.975 9.932 -4.699 1.00 0.00 P ATOM 497 OP1 DC B 15 -1.822 11.056 -5.649 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.295 9.285 -4.529 1.00 0.00 O ATOM 499 O5' DC B 15 -0.900 8.792 -5.087 1.00 0.00 O ATOM 500 C5' DC B 15 0.111 8.397 -4.155 1.00 0.00 C ATOM 501 C4' DC B 15 0.918 7.202 -4.654 1.00 0.00 C ATOM 502 O4' DC B 15 1.254 6.377 -3.530 1.00 0.00 O ATOM 503 C3' DC B 15 0.178 6.280 -5.621 1.00 0.00 C ATOM 504 O3' DC B 15 1.169 5.650 -6.439 1.00 0.00 O ATOM 505 C2' DC B 15 -0.415 5.201 -4.727 1.00 0.00 C ATOM 506 C1' DC B 15 0.629 5.089 -3.618 1.00 0.00 C ATOM 507 N1 DC B 15 0.021 4.769 -2.305 1.00 0.00 N ATOM 508 C2 DC B 15 0.615 3.773 -1.543 1.00 0.00 C ATOM 509 O2 DC B 15 1.622 3.193 -1.947 1.00 0.00 O ATOM 510 N3 DC B 15 0.074 3.472 -0.332 1.00 0.00 N ATOM 511 C4 DC B 15 -1.004 4.122 0.121 1.00 0.00 C ATOM 512 N4 DC B 15 -1.487 3.770 1.314 1.00 0.00 N ATOM 513 C5 DC B 15 -1.621 5.150 -0.654 1.00 0.00 C ATOM 514 C6 DC B 15 -1.082 5.442 -1.851 1.00 0.00 C ATOM 0 H5' DC B 15 -0.354 8.147 -3.201 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.782 9.236 -3.972 1.00 0.00 H new ATOM 0 H4' DC B 15 1.771 7.635 -5.177 1.00 0.00 H new ATOM 0 H3' DC B 15 -0.564 6.794 -6.232 1.00 0.00 H new ATOM 0 H2' DC B 15 -1.392 5.487 -4.338 1.00 0.00 H new ATOM 0 H2'' DC B 15 -0.546 4.259 -5.259 1.00 0.00 H new ATOM 0 H1' DC B 15 1.328 4.287 -3.853 1.00 0.00 H new ATOM 0 H41 DC B 15 -2.308 4.243 1.692 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.036 3.027 1.848 1.00 0.00 H new ATOM 0 H5 DC B 15 -2.492 5.676 -0.291 1.00 0.00 H new ATOM 0 H6 DC B 15 -1.524 6.216 -2.461 1.00 0.00 H new ATOM 526 P DG B 16 0.817 5.163 -7.935 1.00 0.00 P ATOM 527 OP1 DG B 16 1.220 6.233 -8.876 1.00 0.00 O ATOM 528 OP2 DG B 16 -0.575 4.661 -7.942 1.00 0.00 O ATOM 529 O5' DG B 16 1.804 3.908 -8.144 1.00 0.00 O ATOM 530 C5' DG B 16 2.938 3.718 -7.289 1.00 0.00 C ATOM 531 C4' DG B 16 3.287 2.240 -7.130 1.00 0.00 C ATOM 532 O4' DG B 16 2.739 1.767 -5.893 1.00 0.00 O ATOM 533 C3' DG B 16 2.714 1.318 -8.209 1.00 0.00 C ATOM 534 O3' DG B 16 3.668 0.266 -8.402 1.00 0.00 O ATOM 535 C2' DG B 16 1.487 0.689 -7.562 1.00 0.00 C ATOM 536 C1' DG B 16 1.912 0.621 -6.100 1.00 0.00 C ATOM 537 N9 DG B 16 0.780 0.684 -5.154 1.00 0.00 N ATOM 538 C8 DG B 16 -0.520 1.071 -5.374 1.00 0.00 C ATOM 539 N7 DG B 16 -1.276 0.992 -4.314 1.00 0.00 N ATOM 540 C5 DG B 16 -0.420 0.523 -3.324 1.00 0.00 C ATOM 541 C6 DG B 16 -0.676 0.237 -1.954 1.00 0.00 C ATOM 542 O6 DG B 16 -1.734 0.340 -1.338 1.00 0.00 O ATOM 543 N1 DG B 16 0.463 -0.216 -1.305 1.00 0.00 N ATOM 544 C2 DG B 16 1.697 -0.375 -1.896 1.00 0.00 C ATOM 545 N2 DG B 16 2.694 -0.808 -1.123 1.00 0.00 N ATOM 546 N3 DG B 16 1.944 -0.112 -3.179 1.00 0.00 N ATOM 547 C4 DG B 16 0.842 0.332 -3.829 1.00 0.00 C ATOM 0 H5' DG B 16 2.731 4.150 -6.310 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.795 4.252 -7.699 1.00 0.00 H new ATOM 0 H4' DG B 16 4.375 2.201 -7.190 1.00 0.00 H new ATOM 0 H3' DG B 16 2.493 1.830 -9.145 1.00 0.00 H new ATOM 0 H2' DG B 16 0.593 1.297 -7.701 1.00 0.00 H new ATOM 0 H2'' DG B 16 1.268 -0.297 -7.971 1.00 0.00 H new ATOM 0 H1' DG B 16 2.411 -0.330 -5.914 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.882 1.409 -6.334 1.00 0.00 H new ATOM 0 H1 DG B 16 0.381 -0.449 -0.315 1.00 0.00 H new ATOM 0 H21 DG B 16 3.625 -0.940 -1.518 1.00 0.00 H new ATOM 0 H22 DG B 16 2.525 -1.007 -0.137 1.00 0.00 H new HETATM 559 P XTY B 17 4.201 -0.107 -9.875 1.00 0.00 P HETATM 560 OP1 XTY B 17 3.331 0.560 -10.870 1.00 0.00 O HETATM 561 OP2 XTY B 17 5.663 0.118 -9.908 1.00 0.00 O HETATM 562 C5' XTY B 17 4.138 -2.535 -8.817 1.00 0.00 C HETATM 563 C4' XTY B 17 3.515 -3.915 -9.018 1.00 0.00 C HETATM 564 O4' XTY B 17 2.494 -4.113 -8.024 1.00 0.00 O HETATM 565 C3' XTY B 17 2.812 -4.104 -10.362 1.00 0.00 C HETATM 566 C2' XTY B 17 1.349 -3.857 -10.039 1.00 0.00 C HETATM 567 C1' XTY B 17 1.242 -4.451 -8.634 1.00 0.00 C HETATM 568 O5' XTY B 17 3.934 -1.692 -9.958 1.00 0.00 O HETATM 569 C2 XTY B 17 0.431 -6.008 -4.890 1.00 0.00 C HETATM 570 O2 XTY B 17 1.089 -6.954 -4.461 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.590 -5.452 -4.139 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.371 -4.388 -4.547 1.00 0.00 C HETATM 573 O4 XTY B 17 -2.264 -3.953 -3.828 1.00 0.00 O HETATM 574 C5 XTY B 17 -1.114 -3.834 -5.805 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.078 -4.381 -6.599 1.00 0.00 C HETATM 576 N XTY B 17 0.690 -5.459 -6.148 1.00 0.00 N HETATM 577 CP XTY B 17 -1.881 -2.745 -6.269 1.00 0.00 C HETATM 578 CD XTY B 17 -0.583 -2.745 -8.324 1.00 0.00 C HETATM 579 C8 XTY B 17 0.206 -3.846 -7.875 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.610 -2.208 -7.526 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.428 -1.023 -8.035 1.00 0.00 C HETATM 582 O3' XTY B 17 2.942 -5.483 -10.731 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.480 -1.303 -8.086 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.309 -0.180 -7.354 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.079 -0.740 -9.028 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.704 -2.065 -7.934 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 5.206 -2.641 -8.629 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 1.099 -2.796 -10.056 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 0.684 -4.353 -10.746 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.677 -2.328 -5.651 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.779 -5.855 -3.221 1.00 0.00 H new HETATM 0 HN XTY B 17 1.433 -5.841 -6.733 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.386 -2.311 -9.305 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.347 -4.616 -8.956 1.00 0.00 H new HETATM 0 H3' XTY B 17 3.203 -3.464 -11.153 1.00 0.00 H new HETATM 0 H1' XTY B 17 1.025 -5.518 -8.676 1.00 0.00 H new ATOM 597 P DA B 18 3.136 -5.888 -12.280 1.00 0.00 P ATOM 598 OP1 DA B 18 4.418 -5.316 -12.750 1.00 0.00 O ATOM 599 OP2 DA B 18 1.882 -5.571 -13.000 1.00 0.00 O ATOM 600 O5' DA B 18 3.290 -7.491 -12.227 1.00 0.00 O ATOM 601 C5' DA B 18 4.117 -8.124 -11.245 1.00 0.00 C ATOM 602 C4' DA B 18 3.730 -9.590 -11.052 1.00 0.00 C ATOM 603 O4' DA B 18 2.653 -9.649 -10.110 1.00 0.00 O ATOM 604 C3' DA B 18 3.199 -10.280 -12.304 1.00 0.00 C ATOM 605 O3' DA B 18 3.419 -11.683 -12.143 1.00 0.00 O ATOM 606 C2' DA B 18 1.698 -10.048 -12.240 1.00 0.00 C ATOM 607 C1' DA B 18 1.427 -10.058 -10.737 1.00 0.00 C ATOM 608 N9 DA B 18 0.380 -9.089 -10.349 1.00 0.00 N ATOM 609 C8 DA B 18 -0.306 -8.197 -11.140 1.00 0.00 C ATOM 610 N7 DA B 18 -1.132 -7.438 -10.479 1.00 0.00 N ATOM 611 C5 DA B 18 -0.988 -7.857 -9.163 1.00 0.00 C ATOM 612 C6 DA B 18 -1.592 -7.445 -7.969 1.00 0.00 C ATOM 613 N6 DA B 18 -2.491 -6.465 -7.900 1.00 0.00 N ATOM 614 N1 DA B 18 -1.227 -8.066 -6.837 1.00 0.00 N ATOM 615 C2 DA B 18 -0.320 -9.032 -6.896 1.00 0.00 C ATOM 616 N3 DA B 18 0.322 -9.511 -7.951 1.00 0.00 N ATOM 617 C4 DA B 18 -0.071 -8.864 -9.069 1.00 0.00 C ATOM 0 H5' DA B 18 4.028 -7.595 -10.296 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.161 -8.059 -11.550 1.00 0.00 H new ATOM 0 H4' DA B 18 4.645 -10.093 -10.739 1.00 0.00 H new ATOM 0 H3' DA B 18 3.658 -9.924 -13.226 1.00 0.00 H new ATOM 0 H2' DA B 18 1.414 -9.100 -12.697 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.144 -10.831 -12.758 1.00 0.00 H new ATOM 0 H1' DA B 18 1.089 -11.050 -10.438 1.00 0.00 H new ATOM 0 H8 DA B 18 -0.172 -8.132 -12.210 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.898 -6.208 -7.000 1.00 0.00 H new ATOM 0 H62 DA B 18 -2.773 -5.971 -8.747 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.070 -9.492 -5.952 1.00 0.00 H new HETATM 629 P XCS B 19 3.792 -12.602 -13.415 1.00 0.00 P HETATM 630 OP2 XCS B 19 5.238 -12.908 -13.356 1.00 0.00 O HETATM 631 C6 XCS B 19 -1.904 -12.615 -11.715 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.431 -12.501 -9.371 1.00 0.00 C HETATM 633 O2 XCS B 19 -2.396 -13.013 -8.255 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.001 -11.269 -9.566 1.00 0.00 N HETATM 635 C4 XCS B 19 -3.039 -10.696 -10.781 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.607 -9.494 -10.879 1.00 0.00 N HETATM 637 C5 XCS B 19 -2.486 -11.361 -11.919 1.00 0.00 C HETATM 638 OP1 XCS B 19 3.219 -11.973 -14.628 1.00 0.00 O HETATM 639 O5' XCS B 19 2.977 -13.959 -13.124 1.00 0.00 O HETATM 640 C5' XCS B 19 2.639 -14.338 -11.787 1.00 0.00 C HETATM 641 C4' XCS B 19 1.394 -15.220 -11.749 1.00 0.00 C HETATM 642 O4' XCS B 19 0.245 -14.395 -11.512 1.00 0.00 O HETATM 643 C1' XCS B 19 -0.755 -14.591 -12.525 1.00 0.00 C HETATM 644 ND XCS B 19 -1.872 -13.184 -10.455 1.00 0.00 N HETATM 645 CP XCS B 19 -2.535 -10.780 -13.205 1.00 0.00 C HETATM 646 CD XCS B 19 -1.393 -12.740 -14.084 1.00 0.00 C HETATM 647 C8 XCS B 19 -1.341 -13.331 -12.792 1.00 0.00 C HETATM 648 C7 XCS B 19 -1.986 -11.477 -14.285 1.00 0.00 C HETATM 649 C7A XCS B 19 -2.030 -10.873 -15.685 1.00 0.00 C HETATM 650 C2' XCS B 19 0.040 -15.101 -13.725 1.00 0.00 C HETATM 651 C3' XCS B 19 1.096 -15.962 -13.049 1.00 0.00 C HETATM 652 O3' XCS B 19 0.470 -17.199 -12.695 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.656 -9.025 -11.784 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -3.993 -9.043 -10.049 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -3.067 -10.709 -15.978 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 -1.497 -9.922 -15.688 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 -1.557 -11.556 -16.391 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 3.477 -14.871 -11.337 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 2.470 -13.444 -11.187 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 -0.580 -15.677 -14.412 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 0.482 -14.287 -14.300 1.00 0.00 H new HETATM 0 HP XCS B 19 -2.994 -9.803 -13.353 1.00 0.00 H new HETATM 0 HND XCS B 19 -1.442 -14.099 -10.317 1.00 0.00 H new HETATM 0 HD XCS B 19 -0.967 -13.273 -14.934 1.00 0.00 H new HETATM 0 H4' XCS B 19 1.593 -15.953 -10.967 1.00 0.00 H new HETATM 0 H3' XCS B 19 1.978 -16.139 -13.665 1.00 0.00 H new HETATM 0 H1' XCS B 19 -1.555 -15.281 -12.256 1.00 0.00 H new ATOM 668 P DA B 20 1.320 -18.569 -12.656 1.00 0.00 P ATOM 669 OP1 DA B 20 1.017 -19.334 -13.887 1.00 0.00 O ATOM 670 OP2 DA B 20 2.723 -18.238 -12.319 1.00 0.00 O ATOM 671 O5' DA B 20 0.671 -19.351 -11.406 1.00 0.00 O ATOM 672 C5' DA B 20 0.551 -18.715 -10.127 1.00 0.00 C ATOM 673 C4' DA B 20 -0.588 -19.311 -9.302 1.00 0.00 C ATOM 674 O4' DA B 20 -1.678 -18.378 -9.266 1.00 0.00 O ATOM 675 C3' DA B 20 -1.185 -20.602 -9.862 1.00 0.00 C ATOM 676 O3' DA B 20 -1.733 -21.398 -8.809 1.00 0.00 O ATOM 677 C2' DA B 20 -2.290 -20.075 -10.767 1.00 0.00 C ATOM 678 C1' DA B 20 -2.820 -18.902 -9.955 1.00 0.00 C ATOM 679 N9 DA B 20 -3.393 -17.833 -10.798 1.00 0.00 N ATOM 680 C8 DA B 20 -2.893 -17.290 -11.955 1.00 0.00 C ATOM 681 N7 DA B 20 -3.618 -16.317 -12.433 1.00 0.00 N ATOM 682 C5 DA B 20 -4.669 -16.212 -11.531 1.00 0.00 C ATOM 683 C6 DA B 20 -5.784 -15.366 -11.468 1.00 0.00 C ATOM 684 N6 DA B 20 -6.030 -14.405 -12.359 1.00 0.00 N ATOM 685 N1 DA B 20 -6.635 -15.529 -10.443 1.00 0.00 N ATOM 686 C2 DA B 20 -6.389 -16.469 -9.540 1.00 0.00 C ATOM 687 N3 DA B 20 -5.379 -17.324 -9.483 1.00 0.00 N ATOM 688 C4 DA B 20 -4.546 -17.133 -10.530 1.00 0.00 C ATOM 0 H5' DA B 20 0.379 -17.648 -10.266 1.00 0.00 H new ATOM 0 H5'' DA B 20 1.488 -18.818 -9.580 1.00 0.00 H new ATOM 0 H4' DA B 20 -0.142 -19.527 -8.331 1.00 0.00 H new ATOM 0 H3' DA B 20 -0.463 -21.239 -10.373 1.00 0.00 H new ATOM 0 H2' DA B 20 -1.909 -19.761 -11.739 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.059 -20.825 -10.953 1.00 0.00 H new ATOM 0 HO3' DA B 20 -2.113 -22.220 -9.184 1.00 0.00 H new ATOM 0 H1' DA B 20 -3.620 -19.239 -9.296 1.00 0.00 H new ATOM 0 H8 DA B 20 -1.984 -17.636 -12.425 1.00 0.00 H new ATOM 0 H61 DA B 20 -6.859 -13.819 -12.261 1.00 0.00 H new ATOM 0 H62 DA B 20 -5.389 -14.256 -13.138 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.112 -16.548 -8.741 1.00 0.00 H new TER 701 DA B 20