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= -1.36 (180deg=-1.36) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.11 (180deg=-3.67!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.086 -4.269 -11.692 1.00 0.00 C HETATM 2 C4' XTY A 1 -12.059 -5.083 -10.400 1.00 0.00 C HETATM 3 O4' XTY A 1 -11.340 -6.301 -10.636 1.00 0.00 O HETATM 4 C3' XTY A 1 -11.343 -4.410 -9.237 1.00 0.00 C HETATM 5 C2' XTY A 1 -9.928 -4.962 -9.303 1.00 0.00 C HETATM 6 C1' XTY A 1 -10.153 -6.384 -9.834 1.00 0.00 C HETATM 7 O5' XTY A 1 -11.204 -3.146 -11.631 1.00 0.00 O HETATM 8 C2 XTY A 1 -8.987 -10.395 -9.869 1.00 0.00 C HETATM 9 O2 XTY A 1 -9.545 -11.214 -9.146 1.00 0.00 O HETATM 10 N3 XTY A 1 -7.959 -10.776 -10.705 1.00 0.00 N HETATM 11 C4 XTY A 1 -7.273 -9.926 -11.542 1.00 0.00 C HETATM 12 O4 XTY A 1 -6.361 -10.350 -12.250 1.00 0.00 O HETATM 13 C5 XTY A 1 -7.644 -8.578 -11.548 1.00 0.00 C HETATM 14 C6 XTY A 1 -8.700 -8.150 -10.701 1.00 0.00 C HETATM 15 N XTY A 1 -9.367 -9.055 -9.867 1.00 0.00 N HETATM 16 CP XTY A 1 -6.974 -7.660 -12.390 1.00 0.00 C HETATM 17 CD XTY A 1 -8.402 -5.887 -11.547 1.00 0.00 C HETATM 18 C8 XTY A 1 -9.094 -6.787 -10.689 1.00 0.00 C HETATM 19 C7 XTY A 1 -7.358 -6.322 -12.381 1.00 0.00 C HETATM 20 C7A XTY A 1 -6.642 -5.322 -13.284 1.00 0.00 C HETATM 21 O3' XTY A 1 -11.933 -4.902 -8.029 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -5.582 -5.296 -13.029 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -6.758 -5.624 -14.325 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -7.074 -4.331 -13.144 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -11.804 -4.907 -12.530 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -13.102 -3.923 -11.882 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -9.294 -4.376 -9.968 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -9.447 -4.965 -8.325 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.166 -7.997 -13.039 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -7.687 -11.759 -10.703 1.00 0.00 H new HETATM 0 HN XTY A 1 -10.125 -8.736 -9.263 1.00 0.00 H new HETATM 0 HD XTY A 1 -8.689 -4.835 -11.558 1.00 0.00 H new HETATM 0 H4' XTY A 1 -13.106 -5.221 -10.129 1.00 0.00 H new HETATM 0 H3' XTY A 1 -11.389 -3.322 -9.272 1.00 0.00 H new HETATM 0 H1' XTY A 1 -10.219 -7.093 -9.009 1.00 0.00 H new ATOM 37 P DG A 2 -12.287 -3.892 -6.824 1.00 0.00 P ATOM 38 OP1 DG A 2 -11.191 -2.902 -6.710 1.00 0.00 O ATOM 39 OP2 DG A 2 -13.681 -3.430 -7.006 1.00 0.00 O ATOM 40 O5' DG A 2 -12.238 -4.843 -5.525 1.00 0.00 O ATOM 41 C5' DG A 2 -12.682 -6.203 -5.584 1.00 0.00 C ATOM 42 C4' DG A 2 -11.987 -7.068 -4.533 1.00 0.00 C ATOM 43 O4' DG A 2 -10.873 -7.734 -5.143 1.00 0.00 O ATOM 44 C3' DG A 2 -11.387 -6.294 -3.364 1.00 0.00 C ATOM 45 O3' DG A 2 -11.269 -7.209 -2.267 1.00 0.00 O ATOM 46 C2' DG A 2 -9.978 -5.980 -3.838 1.00 0.00 C ATOM 47 C1' DG A 2 -9.628 -7.244 -4.622 1.00 0.00 C ATOM 48 N9 DG A 2 -8.720 -6.982 -5.758 1.00 0.00 N ATOM 49 C8 DG A 2 -8.435 -5.788 -6.373 1.00 0.00 C ATOM 50 N7 DG A 2 -7.597 -5.896 -7.364 1.00 0.00 N ATOM 51 C5 DG A 2 -7.305 -7.252 -7.412 1.00 0.00 C ATOM 52 C6 DG A 2 -6.449 -7.964 -8.291 1.00 0.00 C ATOM 53 O6 DG A 2 -5.774 -7.522 -9.218 1.00 0.00 O ATOM 54 N1 DG A 2 -6.432 -9.319 -8.005 1.00 0.00 N ATOM 55 C2 DG A 2 -7.151 -9.921 -6.996 1.00 0.00 C ATOM 56 N2 DG A 2 -7.018 -11.241 -6.859 1.00 0.00 N ATOM 57 N3 DG A 2 -7.961 -9.260 -6.163 1.00 0.00 N ATOM 58 C4 DG A 2 -7.987 -7.931 -6.432 1.00 0.00 C ATOM 0 H5' DG A 2 -12.486 -6.608 -6.577 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.761 -6.241 -5.432 1.00 0.00 H new ATOM 0 H4' DG A 2 -12.766 -7.731 -4.156 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.963 -5.416 -3.071 1.00 0.00 H new ATOM 0 H2' DG A 2 -9.945 -5.088 -4.463 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.294 -5.811 -3.006 1.00 0.00 H new ATOM 0 H1' DG A 2 -9.117 -7.948 -3.965 1.00 0.00 H new ATOM 0 H8 DG A 2 -8.866 -4.847 -6.064 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.843 -9.916 -8.585 1.00 0.00 H new ATOM 0 H21 DG A 2 -7.530 -11.732 -6.126 1.00 0.00 H new ATOM 0 H22 DG A 2 -6.404 -11.760 -7.487 1.00 0.00 H new HETATM 70 P XTY A 3 -11.323 -6.683 -0.744 1.00 0.00 P HETATM 71 OP1 XTY A 3 -12.126 -7.643 0.046 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.695 -5.251 -0.761 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.903 -7.771 -0.840 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.550 -7.793 -0.129 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.508 -7.680 -1.110 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.308 -6.627 0.817 1.00 0.00 C HETATM 77 C2' XTY A 3 -6.730 -5.563 -0.096 1.00 0.00 C HETATM 78 C1' XTY A 3 -5.852 -6.399 -1.039 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.787 -6.798 -0.266 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.709 -8.470 -3.890 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.115 -9.500 -3.582 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.678 -7.992 -5.188 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.320 -6.847 -5.616 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.252 -6.492 -6.791 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.050 -6.118 -4.671 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.098 -6.581 -3.335 1.00 0.00 C HETATM 87 N XTY A 3 -4.437 -7.746 -2.944 1.00 0.00 N HETATM 88 CP XTY A 3 -5.726 -4.939 -5.049 1.00 0.00 C HETATM 89 CD XTY A 3 -6.501 -4.680 -2.764 1.00 0.00 C HETATM 90 C8 XTY A 3 -5.827 -5.870 -2.357 1.00 0.00 C HETATM 91 C7 XTY A 3 -6.445 -4.227 -4.092 1.00 0.00 C HETATM 92 C7A XTY A 3 -7.177 -2.947 -4.488 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.275 -7.021 1.727 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -6.460 -2.222 -4.873 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -7.914 -3.173 -5.258 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -7.680 -2.531 -3.615 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.755 -7.550 -1.897 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -9.361 -8.758 -0.782 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.507 -5.021 -0.635 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.149 -4.824 0.455 1.00 0.00 H new HETATM 0 HP XTY A 3 -5.686 -4.589 -6.080 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.144 -8.522 -5.876 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.485 -8.066 -1.977 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.071 -4.111 -2.029 1.00 0.00 H new HETATM 0 H4' XTY A 3 -7.550 -8.723 0.440 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.192 -6.308 1.369 1.00 0.00 H new HETATM 0 H1' XTY A 3 -4.827 -6.427 -0.670 1.00 0.00 H new ATOM 108 P DA A 4 -6.330 -6.567 3.270 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.382 -5.087 3.313 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.377 -7.364 3.949 1.00 0.00 O ATOM 111 O5' DA A 4 -4.896 -7.035 3.830 1.00 0.00 O ATOM 112 C5' DA A 4 -4.355 -8.316 3.490 1.00 0.00 C ATOM 113 C4' DA A 4 -2.835 -8.331 3.620 1.00 0.00 C ATOM 114 O4' DA A 4 -2.262 -7.918 2.372 1.00 0.00 O ATOM 115 C3' DA A 4 -2.276 -7.366 4.661 1.00 0.00 C ATOM 116 O3' DA A 4 -1.033 -7.907 5.122 1.00 0.00 O ATOM 117 C2' DA A 4 -1.948 -6.115 3.862 1.00 0.00 C ATOM 118 C1' DA A 4 -1.532 -6.693 2.514 1.00 0.00 C ATOM 119 N9 DA A 4 -1.878 -5.803 1.389 1.00 0.00 N ATOM 120 C8 DA A 4 -2.917 -4.910 1.288 1.00 0.00 C ATOM 121 N7 DA A 4 -2.928 -4.246 0.169 1.00 0.00 N ATOM 122 C5 DA A 4 -1.822 -4.732 -0.517 1.00 0.00 C ATOM 123 C6 DA A 4 -1.280 -4.430 -1.772 1.00 0.00 C ATOM 124 N6 DA A 4 -1.774 -3.490 -2.573 1.00 0.00 N ATOM 125 N1 DA A 4 -0.180 -5.097 -2.158 1.00 0.00 N ATOM 126 C2 DA A 4 0.343 -6.000 -1.338 1.00 0.00 C ATOM 127 N3 DA A 4 -0.067 -6.372 -0.135 1.00 0.00 N ATOM 128 C4 DA A 4 -1.175 -5.684 0.215 1.00 0.00 C ATOM 0 H5' DA A 4 -4.637 -8.572 2.469 1.00 0.00 H new ATOM 0 H5'' DA A 4 -4.785 -9.078 4.140 1.00 0.00 H new ATOM 0 H4' DA A 4 -2.583 -9.349 3.919 1.00 0.00 H new ATOM 0 H3' DA A 4 -2.953 -7.189 5.497 1.00 0.00 H new ATOM 0 H2' DA A 4 -2.808 -5.452 3.772 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.147 -5.537 4.322 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.451 -6.829 2.490 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.655 -4.772 2.064 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.339 -3.311 -3.478 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.588 -2.948 -2.282 1.00 0.00 H new ATOM 0 H2 DA A 4 1.227 -6.502 -1.703 1.00 0.00 H new HETATM 140 P XCS A 5 -0.464 -7.523 6.582 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.297 -6.429 7.132 1.00 0.00 O HETATM 142 C6 XCS A 5 0.228 -2.673 2.652 1.00 0.00 C HETATM 143 C2 XCS A 5 1.002 -2.810 0.382 1.00 0.00 C HETATM 144 O2 XCS A 5 1.889 -3.106 -0.413 1.00 0.00 O HETATM 145 N3 XCS A 5 -0.187 -2.278 -0.048 1.00 0.00 N HETATM 146 C4 XCS A 5 -1.161 -1.942 0.812 1.00 0.00 C HETATM 147 N4 XCS A 5 -2.286 -1.429 0.309 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.986 -2.131 2.217 1.00 0.00 C HETATM 149 OP1 XCS A 5 -0.289 -8.773 7.353 1.00 0.00 O HETATM 150 O5' XCS A 5 0.996 -6.922 6.258 1.00 0.00 O HETATM 151 C5' XCS A 5 1.499 -6.869 4.917 1.00 0.00 C HETATM 152 C4' XCS A 5 2.435 -5.680 4.713 1.00 0.00 C HETATM 153 O4' XCS A 5 1.810 -4.746 3.818 1.00 0.00 O HETATM 154 C1' XCS A 5 1.717 -3.441 4.408 1.00 0.00 C HETATM 155 ND XCS A 5 1.215 -3.010 1.748 1.00 0.00 N HETATM 156 CP XCS A 5 -2.001 -1.784 3.133 1.00 0.00 C HETATM 157 CD XCS A 5 -0.561 -2.532 4.942 1.00 0.00 C HETATM 158 C8 XCS A 5 0.469 -2.887 4.026 1.00 0.00 C HETATM 159 C7 XCS A 5 -1.781 -1.988 4.495 1.00 0.00 C HETATM 160 C7A XCS A 5 -2.866 -1.622 5.503 1.00 0.00 C HETATM 161 C2' XCS A 5 1.773 -3.712 5.911 1.00 0.00 C HETATM 162 C3' XCS A 5 2.735 -4.884 5.981 1.00 0.00 C HETATM 163 O3' XCS A 5 4.060 -4.360 5.852 1.00 0.00 O HETATM 0 HN42 XCS A 5 -3.048 -1.162 0.932 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -2.384 -1.304 -0.699 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.088 -0.558 5.428 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -3.768 -2.197 5.292 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -2.518 -1.850 6.511 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 2.030 -7.794 4.690 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.666 -6.801 4.218 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.138 -2.850 6.468 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.793 -3.963 6.318 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.943 -1.363 2.782 1.00 0.00 H new HETATM 0 HND XCS A 5 2.097 -3.404 2.076 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.403 -2.684 6.010 1.00 0.00 H new HETATM 0 H4' XCS A 5 3.365 -6.109 4.340 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.644 -5.468 6.897 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.498 -2.743 4.104 1.00 0.00 H new HETATM 179 P XGA A 6 5.228 -4.842 6.852 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.966 -5.950 6.205 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.636 -5.036 8.195 1.00 0.00 O HETATM 182 C5' XGA A 6 6.822 -3.058 5.728 1.00 0.00 C HETATM 183 O5' XGA A 6 6.194 -3.558 6.913 1.00 0.00 O HETATM 184 C4' XGA A 6 7.132 -1.568 5.846 1.00 0.00 C HETATM 185 O4' XGA A 6 6.018 -0.819 5.340 1.00 0.00 O HETATM 186 C3' XGA A 6 7.345 -1.073 7.275 1.00 0.00 C HETATM 187 C2' XGA A 6 6.016 -0.438 7.656 1.00 0.00 C HETATM 188 C1' XGA A 6 5.527 0.102 6.318 1.00 0.00 C HETATM 189 N9 XGA A 6 4.078 0.200 6.215 1.00 0.00 N HETATM 190 C8 XGA A 6 3.158 -0.205 7.152 1.00 0.00 C HETATM 191 N7 XGA A 6 1.927 0.013 6.760 1.00 0.00 N HETATM 192 C4 XGA A 6 2.767 1.710 3.029 1.00 0.00 C HETATM 193 C5 XGA A 6 1.409 1.587 3.389 1.00 0.00 C HETATM 194 N3 XGA A 6 3.154 2.237 1.860 1.00 0.00 N HETATM 195 C2 XGA A 6 2.179 2.655 1.022 1.00 0.00 C HETATM 196 N2 XGA A 6 2.548 3.188 -0.168 1.00 0.00 N HETATM 197 N1 XGA A 6 0.861 2.575 1.290 1.00 0.00 N HETATM 198 C6 XGA A 6 0.440 2.032 2.489 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.762 1.949 2.743 1.00 0.00 O HETATM 200 C10 XGA A 6 3.377 0.714 5.144 1.00 0.00 C HETATM 201 C11 XGA A 6 2.040 0.582 5.521 1.00 0.00 C HETATM 202 CP XGA A 6 1.041 1.020 4.639 1.00 0.00 C HETATM 203 CD XGA A 6 3.757 1.273 3.910 1.00 0.00 C HETATM 204 O3' XGA A 6 8.315 -0.024 7.216 1.00 0.00 O HETATM 0 HN22 XGA A 6 1.837 3.513 -0.823 1.00 0.00 H new HETATM 0 HN21 XGA A 6 3.536 3.264 -0.408 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.744 -3.609 5.543 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 6.171 -3.229 4.870 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 5.323 -1.165 8.080 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 6.139 0.354 8.395 1.00 0.00 H new HETATM 0 HP XGA A 6 -0.010 0.926 4.911 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.178 2.913 0.612 1.00 0.00 H new HETATM 0 HD XGA A 6 4.811 1.363 3.646 1.00 0.00 H new HETATM 0 H8 XGA A 6 3.422 -0.655 8.109 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.058 -1.425 5.289 1.00 0.00 H new HETATM 0 H3' XGA A 6 7.662 -1.856 7.963 1.00 0.00 H new HETATM 0 H1' XGA A 6 5.889 1.121 6.183 1.00 0.00 H new ATOM 218 P DC A 7 9.857 -0.319 7.574 1.00 0.00 P ATOM 219 OP1 DC A 7 10.314 -1.463 6.754 1.00 0.00 O ATOM 220 OP2 DC A 7 9.989 -0.368 9.047 1.00 0.00 O ATOM 221 O5' DC A 7 10.597 1.010 7.047 1.00 0.00 O ATOM 222 C5' DC A 7 10.802 1.230 5.648 1.00 0.00 C ATOM 223 C4' DC A 7 10.795 2.718 5.310 1.00 0.00 C ATOM 224 O4' DC A 7 9.454 3.112 4.978 1.00 0.00 O ATOM 225 C3' DC A 7 11.212 3.631 6.461 1.00 0.00 C ATOM 226 O3' DC A 7 11.835 4.782 5.883 1.00 0.00 O ATOM 227 C2' DC A 7 9.892 4.089 7.062 1.00 0.00 C ATOM 228 C1' DC A 7 9.003 4.176 5.826 1.00 0.00 C ATOM 229 N1 DC A 7 7.558 3.976 6.118 1.00 0.00 N ATOM 230 C2 DC A 7 6.693 3.871 5.033 1.00 0.00 C ATOM 231 O2 DC A 7 7.119 3.963 3.882 1.00 0.00 O ATOM 232 N3 DC A 7 5.368 3.682 5.272 1.00 0.00 N ATOM 233 C4 DC A 7 4.898 3.602 6.521 1.00 0.00 C ATOM 234 N4 DC A 7 3.586 3.425 6.680 1.00 0.00 N ATOM 235 C5 DC A 7 5.775 3.709 7.644 1.00 0.00 C ATOM 236 C6 DC A 7 7.086 3.894 7.402 1.00 0.00 C ATOM 0 H5' DC A 7 10.022 0.723 5.081 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.753 0.791 5.345 1.00 0.00 H new ATOM 0 H4' DC A 7 11.512 2.831 4.497 1.00 0.00 H new ATOM 0 H3' DC A 7 11.877 3.152 7.180 1.00 0.00 H new ATOM 0 H2' DC A 7 9.507 3.379 7.794 1.00 0.00 H new ATOM 0 H2'' DC A 7 9.984 5.050 7.568 1.00 0.00 H new ATOM 0 H1' DC A 7 9.081 5.169 5.384 1.00 0.00 H new ATOM 0 H41 DC A 7 3.190 3.359 7.618 1.00 0.00 H new ATOM 0 H42 DC A 7 2.978 3.355 5.864 1.00 0.00 H new ATOM 0 H5 DC A 7 5.398 3.644 8.654 1.00 0.00 H new ATOM 0 H6 DC A 7 7.774 3.979 8.230 1.00 0.00 H new HETATM 248 P XAE A 8 13.252 5.309 6.438 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.326 4.521 5.791 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.173 5.378 7.914 1.00 0.00 O HETATM 251 C5' XAE A 8 12.935 7.108 4.521 1.00 0.00 C HETATM 252 C4' XAE A 8 12.362 8.516 4.398 1.00 0.00 C HETATM 253 O4' XAE A 8 10.949 8.469 4.659 1.00 0.00 O HETATM 254 C3' XAE A 8 12.916 9.516 5.410 1.00 0.00 C HETATM 255 C2' XAE A 8 11.934 9.421 6.564 1.00 0.00 C HETATM 256 C1' XAE A 8 10.617 9.250 5.815 1.00 0.00 C HETATM 257 O5' XAE A 8 13.317 6.814 5.868 1.00 0.00 O HETATM 258 N9 XAE A 8 9.577 8.583 6.582 1.00 0.00 N HETATM 259 C8 XAE A 8 9.749 7.812 7.708 1.00 0.00 C HETATM 260 N7 XAE A 8 8.609 7.355 8.170 1.00 0.00 N HETATM 261 C5 XAE A 8 5.477 8.293 6.324 1.00 0.00 C HETATM 262 C4 XAE A 8 6.076 9.070 5.310 1.00 0.00 C HETATM 263 C6 XAE A 8 4.060 8.157 6.294 1.00 0.00 C HETATM 264 N6 XAE A 8 3.398 7.450 7.208 1.00 0.00 N HETATM 265 N1 XAE A 8 3.365 8.758 5.324 1.00 0.00 N HETATM 266 C2 XAE A 8 4.041 9.466 4.420 1.00 0.00 C HETATM 267 N3 XAE A 8 5.359 9.683 4.320 1.00 0.00 N HETATM 268 C10 XAE A 8 8.228 8.618 6.307 1.00 0.00 C HETATM 269 C11 XAE A 8 7.656 7.844 7.316 1.00 0.00 C HETATM 270 CP XAE A 8 6.263 7.675 7.332 1.00 0.00 C HETATM 271 CD XAE A 8 7.458 9.236 5.304 1.00 0.00 C HETATM 272 O3' XAE A 8 12.772 10.822 4.839 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.382 7.374 7.156 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.907 6.985 7.960 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.195 6.382 4.185 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.800 7.008 3.866 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 12.148 8.576 7.219 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.941 10.316 7.186 1.00 0.00 H new HETATM 0 HP XAE A 8 5.790 7.076 8.110 1.00 0.00 H new HETATM 0 HD XAE A 8 7.938 9.837 4.532 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.718 7.605 8.163 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.627 8.843 3.393 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.953 9.335 5.692 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.432 9.938 3.649 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.199 10.229 5.581 1.00 0.00 H new HETATM 286 P XGA A 9 13.756 12.025 5.271 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.793 12.172 4.225 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.154 11.816 6.681 1.00 0.00 O HETATM 289 C5' XGA A 9 11.859 13.479 4.133 1.00 0.00 C HETATM 290 O5' XGA A 9 12.790 13.314 5.208 1.00 0.00 O HETATM 291 C4' XGA A 9 10.659 14.328 4.548 1.00 0.00 C HETATM 292 O4' XGA A 9 9.672 13.473 5.143 1.00 0.00 O HETATM 293 C3' XGA A 9 10.958 15.395 5.603 1.00 0.00 C HETATM 294 C2' XGA A 9 10.521 14.757 6.912 1.00 0.00 C HETATM 295 C1' XGA A 9 9.333 13.919 6.461 1.00 0.00 C HETATM 296 N9 XGA A 9 9.071 12.777 7.318 1.00 0.00 N HETATM 297 C8 XGA A 9 10.009 11.991 7.937 1.00 0.00 C HETATM 298 N7 XGA A 9 9.461 11.028 8.640 1.00 0.00 N HETATM 299 C4 XGA A 9 5.451 11.919 7.851 1.00 0.00 C HETATM 300 C5 XGA A 9 5.710 10.814 8.688 1.00 0.00 C HETATM 301 N3 XGA A 9 4.209 12.299 7.531 1.00 0.00 N HETATM 302 C2 XGA A 9 3.191 11.573 8.046 1.00 0.00 C HETATM 303 N2 XGA A 9 1.928 11.946 7.736 1.00 0.00 N HETATM 304 N1 XGA A 9 3.352 10.503 8.851 1.00 0.00 N HETATM 305 C6 XGA A 9 4.626 10.094 9.195 1.00 0.00 C HETATM 306 O6 XGA A 9 4.787 9.115 9.923 1.00 0.00 O HETATM 307 C10 XGA A 9 7.829 12.280 7.652 1.00 0.00 C HETATM 308 C11 XGA A 9 8.111 11.192 8.477 1.00 0.00 C HETATM 309 CP XGA A 9 7.046 10.446 9.003 1.00 0.00 C HETATM 310 CD XGA A 9 6.512 12.657 7.330 1.00 0.00 C HETATM 311 O3' XGA A 9 10.067 16.486 5.353 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.136 11.421 8.107 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.768 12.752 7.132 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.361 13.948 3.286 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.514 12.501 3.798 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.309 14.147 7.354 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.239 15.501 7.657 1.00 0.00 H new HETATM 0 HP XGA A 9 7.242 9.590 9.649 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.538 9.999 9.204 1.00 0.00 H new HETATM 0 HD XGA A 9 6.325 13.514 6.683 1.00 0.00 H new HETATM 0 H8 XGA A 9 11.084 12.148 7.855 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.337 14.827 3.634 1.00 0.00 H new HETATM 0 H3' XGA A 9 11.996 15.728 5.606 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.421 14.516 6.498 1.00 0.00 H new ATOM 325 P DT A 10 10.422 17.977 5.848 1.00 0.00 P ATOM 326 OP1 DT A 10 10.906 18.749 4.681 1.00 0.00 O ATOM 327 OP2 DT A 10 11.260 17.878 7.065 1.00 0.00 O ATOM 328 O5' DT A 10 8.981 18.558 6.276 1.00 0.00 O ATOM 329 C5' DT A 10 7.782 17.832 5.979 1.00 0.00 C ATOM 330 C4' DT A 10 6.655 18.158 6.958 1.00 0.00 C ATOM 331 O4' DT A 10 6.243 16.946 7.609 1.00 0.00 O ATOM 332 C3' DT A 10 7.033 19.131 8.084 1.00 0.00 C ATOM 333 O3' DT A 10 5.936 19.998 8.382 1.00 0.00 O ATOM 334 C2' DT A 10 7.310 18.202 9.258 1.00 0.00 C ATOM 335 C1' DT A 10 6.291 17.095 9.026 1.00 0.00 C ATOM 336 N1 DT A 10 6.665 15.796 9.641 1.00 0.00 N ATOM 337 C2 DT A 10 5.632 14.988 10.095 1.00 0.00 C ATOM 338 O2 DT A 10 4.447 15.304 9.991 1.00 0.00 O ATOM 339 N3 DT A 10 6.006 13.791 10.676 1.00 0.00 N ATOM 340 C4 DT A 10 7.299 13.333 10.842 1.00 0.00 C ATOM 341 O4 DT A 10 7.509 12.248 11.378 1.00 0.00 O ATOM 342 C5 DT A 10 8.311 14.233 10.341 1.00 0.00 C ATOM 343 C7 DT A 10 9.784 13.852 10.474 1.00 0.00 C ATOM 344 C6 DT A 10 7.978 15.406 9.768 1.00 0.00 C ATOM 0 H5' DT A 10 7.990 16.762 6.009 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.459 18.066 4.964 1.00 0.00 H new ATOM 0 H4' DT A 10 5.881 18.628 6.352 1.00 0.00 H new ATOM 0 H3' DT A 10 7.875 19.777 7.835 1.00 0.00 H new ATOM 0 H2' DT A 10 8.333 17.825 9.249 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.162 18.699 10.217 1.00 0.00 H new ATOM 0 HO3' DT A 10 6.190 20.612 9.103 1.00 0.00 H new ATOM 0 H1' DT A 10 5.340 17.365 9.484 1.00 0.00 H new ATOM 0 H3 DT A 10 5.256 13.188 11.015 1.00 0.00 H new ATOM 0 H71 DT A 10 10.349 14.289 9.651 1.00 0.00 H new ATOM 0 H72 DT A 10 10.173 14.228 11.420 1.00 0.00 H new ATOM 0 H73 DT A 10 9.883 12.767 10.446 1.00 0.00 H new ATOM 0 H6 DT A 10 8.759 16.055 9.400 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -1.742 4.907 16.812 1.00 0.00 C HETATM 360 C4' XAE B 11 -2.327 5.976 15.890 1.00 0.00 C HETATM 361 O4' XAE B 11 -1.424 7.087 15.835 1.00 0.00 O HETATM 362 C3' XAE B 11 -2.516 5.535 14.443 1.00 0.00 C HETATM 363 C2' XAE B 11 -1.259 6.017 13.735 1.00 0.00 C HETATM 364 C1' XAE B 11 -0.896 7.276 14.515 1.00 0.00 C HETATM 365 O5' XAE B 11 -1.778 3.609 16.211 1.00 0.00 O HETATM 366 N9 XAE B 11 0.539 7.494 14.597 1.00 0.00 N HETATM 367 C8 XAE B 11 1.421 6.762 15.351 1.00 0.00 C HETATM 368 N7 XAE B 11 2.651 7.198 15.233 1.00 0.00 N HETATM 369 C5 XAE B 11 3.263 10.141 12.988 1.00 0.00 C HETATM 370 C4 XAE B 11 1.932 10.348 12.567 1.00 0.00 C HETATM 371 C6 XAE B 11 4.260 11.022 12.477 1.00 0.00 C HETATM 372 N6 XAE B 11 5.544 10.913 12.818 1.00 0.00 N HETATM 373 N1 XAE B 11 3.904 11.991 11.631 1.00 0.00 N HETATM 374 C2 XAE B 11 2.617 12.092 11.302 1.00 0.00 C HETATM 375 N3 XAE B 11 1.574 11.345 11.698 1.00 0.00 N HETATM 376 C10 XAE B 11 1.263 8.474 13.945 1.00 0.00 C HETATM 377 C11 XAE B 11 2.575 8.257 14.368 1.00 0.00 C HETATM 378 CP XAE B 11 3.590 9.096 13.890 1.00 0.00 C HETATM 379 CD XAE B 11 0.924 9.509 13.050 1.00 0.00 C HETATM 380 O3' XAE B 11 -3.612 6.286 13.915 1.00 0.00 O HETATM 0 HN62 XAE B 11 6.231 11.561 12.433 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.840 10.181 13.464 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -0.712 5.164 17.059 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -2.300 4.890 17.748 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -0.463 5.274 13.773 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -1.444 6.232 12.683 1.00 0.00 H new HETATM 0 HP XAE B 11 4.622 8.947 14.208 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.111 9.653 12.739 1.00 0.00 H new HETATM 0 H8 XAE B 11 1.132 5.916 15.975 1.00 0.00 H new HETATM 0 H4' XAE B 11 -3.304 6.211 16.312 1.00 0.00 H new HETATM 0 H3' XAE B 11 -2.690 4.464 14.335 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.375 12.899 10.610 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.308 8.150 14.011 1.00 0.00 H new ATOM 395 P DC B 12 -4.623 5.623 12.848 1.00 0.00 P ATOM 396 OP1 DC B 12 -4.036 4.348 12.377 1.00 0.00 O ATOM 397 OP2 DC B 12 -5.984 5.638 13.428 1.00 0.00 O ATOM 398 O5' DC B 12 -4.582 6.673 11.629 1.00 0.00 O ATOM 399 C5' DC B 12 -4.568 8.082 11.881 1.00 0.00 C ATOM 400 C4' DC B 12 -4.294 8.878 10.608 1.00 0.00 C ATOM 401 O4' DC B 12 -2.886 9.149 10.519 1.00 0.00 O ATOM 402 C3' DC B 12 -4.650 8.149 9.310 1.00 0.00 C ATOM 403 O3' DC B 12 -5.064 9.148 8.372 1.00 0.00 O ATOM 404 C2' DC B 12 -3.319 7.603 8.818 1.00 0.00 C ATOM 405 C1' DC B 12 -2.362 8.695 9.267 1.00 0.00 C ATOM 406 N1 DC B 12 -0.971 8.220 9.469 1.00 0.00 N ATOM 407 C2 DC B 12 0.050 9.007 8.956 1.00 0.00 C ATOM 408 O2 DC B 12 -0.210 10.036 8.337 1.00 0.00 O ATOM 409 N3 DC B 12 1.338 8.612 9.145 1.00 0.00 N ATOM 410 C4 DC B 12 1.620 7.489 9.813 1.00 0.00 C ATOM 411 N4 DC B 12 2.904 7.168 9.981 1.00 0.00 N ATOM 412 C5 DC B 12 0.576 6.667 10.342 1.00 0.00 C ATOM 413 C6 DC B 12 -0.697 7.067 10.151 1.00 0.00 C ATOM 0 H5' DC B 12 -3.806 8.311 12.625 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.526 8.386 12.302 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.918 9.768 10.691 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.418 7.385 9.433 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.080 6.638 9.266 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.306 7.465 7.737 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.300 9.468 8.501 1.00 0.00 H new ATOM 0 H41 DC B 12 3.155 6.318 10.486 1.00 0.00 H new ATOM 0 H42 DC B 12 3.634 7.773 9.605 1.00 0.00 H new ATOM 0 H5 DC B 12 0.800 5.756 10.877 1.00 0.00 H new ATOM 0 H6 DC B 12 -1.509 6.471 10.541 1.00 0.00 H new ATOM 425 P DT B 13 -6.315 8.891 7.391 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.411 9.802 7.788 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.557 7.432 7.315 1.00 0.00 O ATOM 428 O5' DT B 13 -5.747 9.378 5.965 1.00 0.00 O ATOM 429 C5' DT B 13 -5.077 10.637 5.837 1.00 0.00 C ATOM 430 C4' DT B 13 -4.267 10.715 4.545 1.00 0.00 C ATOM 431 O4' DT B 13 -2.911 10.331 4.818 1.00 0.00 O ATOM 432 C3' DT B 13 -4.743 9.775 3.434 1.00 0.00 C ATOM 433 O3' DT B 13 -4.521 10.445 2.189 1.00 0.00 O ATOM 434 C2' DT B 13 -3.769 8.609 3.493 1.00 0.00 C ATOM 435 C1' DT B 13 -2.483 9.311 3.912 1.00 0.00 C ATOM 436 N1 DT B 13 -1.519 8.421 4.607 1.00 0.00 N ATOM 437 C2 DT B 13 -0.169 8.633 4.366 1.00 0.00 C ATOM 438 O2 DT B 13 0.239 9.510 3.606 1.00 0.00 O ATOM 439 N3 DT B 13 0.706 7.795 5.032 1.00 0.00 N ATOM 440 C4 DT B 13 0.361 6.779 5.902 1.00 0.00 C ATOM 441 O4 DT B 13 1.232 6.101 6.440 1.00 0.00 O ATOM 442 C5 DT B 13 -1.061 6.625 6.093 1.00 0.00 C ATOM 443 C7 DT B 13 -1.576 5.522 7.016 1.00 0.00 C ATOM 444 C6 DT B 13 -1.940 7.429 5.460 1.00 0.00 C ATOM 0 H5' DT B 13 -4.416 10.786 6.691 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.810 11.443 5.857 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.381 11.743 4.202 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.787 9.478 3.534 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.078 7.852 4.214 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.669 8.109 2.530 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.957 9.680 3.032 1.00 0.00 H new ATOM 0 H3 DT B 13 1.702 7.941 4.865 1.00 0.00 H new ATOM 0 H71 DT B 13 -0.880 4.683 7.004 1.00 0.00 H new ATOM 0 H72 DT B 13 -1.662 5.908 8.032 1.00 0.00 H new ATOM 0 H73 DT B 13 -2.554 5.186 6.671 1.00 0.00 H new ATOM 0 H6 DT B 13 -2.998 7.290 5.627 1.00 0.00 H new HETATM 457 P XGA B 14 -5.505 10.195 0.937 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.378 11.382 0.792 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.108 8.851 1.081 1.00 0.00 O HETATM 460 C5' XGA B 14 -3.230 10.829 -0.265 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.493 10.157 -0.316 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.205 10.173 -1.188 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.353 9.321 -0.406 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.800 9.266 -2.262 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.765 7.884 -1.628 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.480 7.949 -0.805 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.489 7.095 0.374 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.597 6.618 1.031 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.277 5.891 2.075 1.00 0.00 N HETATM 470 C4 XGA B 14 1.886 6.177 1.766 1.00 0.00 C HETATM 471 C5 XGA B 14 1.369 5.424 2.841 1.00 0.00 C HETATM 472 N3 XGA B 14 3.202 6.335 1.570 1.00 0.00 N HETATM 473 C2 XGA B 14 4.032 5.735 2.454 1.00 0.00 C HETATM 474 N2 XGA B 14 5.368 5.875 2.271 1.00 0.00 N HETATM 475 N1 XGA B 14 3.620 4.999 3.504 1.00 0.00 N HETATM 476 C6 XGA B 14 2.267 4.825 3.726 1.00 0.00 C HETATM 477 O6 XGA B 14 1.880 4.154 4.682 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.378 6.638 1.054 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.908 5.893 2.107 1.00 0.00 C HETATM 480 CP XGA B 14 -0.034 5.277 3.013 1.00 0.00 C HETATM 481 CD XGA B 14 1.010 6.791 0.869 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.880 9.254 -3.359 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.021 5.435 2.920 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.721 6.420 1.484 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.361 11.873 -0.550 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.855 10.823 0.758 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.640 7.698 -1.005 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.732 7.092 -2.376 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.427 4.690 3.843 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.302 4.573 4.131 1.00 0.00 H new HETATM 0 HD XGA B 14 1.395 7.381 0.037 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.622 6.820 0.721 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.693 11.003 -1.675 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.792 9.570 -2.595 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.646 7.590 -1.408 1.00 0.00 H new ATOM 496 P DC B 15 -2.380 8.923 -4.857 1.00 0.00 P ATOM 497 OP1 DC B 15 -2.143 10.117 -5.698 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.736 8.334 -4.776 1.00 0.00 O ATOM 499 O5' DC B 15 -1.358 7.767 -5.324 1.00 0.00 O ATOM 500 C5' DC B 15 -0.449 7.180 -4.387 1.00 0.00 C ATOM 501 C4' DC B 15 0.161 5.887 -4.913 1.00 0.00 C ATOM 502 O4' DC B 15 0.317 4.979 -3.816 1.00 0.00 O ATOM 503 C3' DC B 15 -0.684 5.142 -5.945 1.00 0.00 C ATOM 504 O3' DC B 15 0.225 4.472 -6.819 1.00 0.00 O ATOM 505 C2' DC B 15 -1.409 4.067 -5.146 1.00 0.00 C ATOM 506 C1' DC B 15 -0.414 3.766 -4.025 1.00 0.00 C ATOM 507 N1 DC B 15 -1.054 3.381 -2.737 1.00 0.00 N ATOM 508 C2 DC B 15 -0.319 2.568 -1.884 1.00 0.00 C ATOM 509 O2 DC B 15 0.818 2.214 -2.189 1.00 0.00 O ATOM 510 N3 DC B 15 -0.871 2.196 -0.697 1.00 0.00 N ATOM 511 C4 DC B 15 -2.096 2.606 -0.351 1.00 0.00 C ATOM 512 N4 DC B 15 -2.570 2.218 0.833 1.00 0.00 N ATOM 513 C5 DC B 15 -2.863 3.443 -1.219 1.00 0.00 C ATOM 514 C6 DC B 15 -2.312 3.807 -2.391 1.00 0.00 C ATOM 0 H5' DC B 15 -0.972 6.979 -3.452 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.347 7.890 -4.161 1.00 0.00 H new ATOM 0 H4' DC B 15 1.092 6.188 -5.393 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.359 5.792 -6.501 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.363 4.423 -4.758 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.620 3.185 -5.750 1.00 0.00 H new ATOM 0 H1' DC B 15 0.201 2.918 -4.325 1.00 0.00 H new ATOM 0 H41 DC B 15 -3.500 2.511 1.131 1.00 0.00 H new ATOM 0 H42 DC B 15 -2.002 1.628 1.441 1.00 0.00 H new ATOM 0 H5 DC B 15 -3.854 3.773 -0.943 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.866 4.442 -3.067 1.00 0.00 H new ATOM 526 P DG B 16 -0.031 4.446 -8.408 1.00 0.00 P ATOM 527 OP1 DG B 16 0.558 5.671 -8.992 1.00 0.00 O ATOM 528 OP2 DG B 16 -1.455 4.124 -8.647 1.00 0.00 O ATOM 529 O5' DG B 16 0.854 3.187 -8.876 1.00 0.00 O ATOM 530 C5' DG B 16 2.100 2.899 -8.234 1.00 0.00 C ATOM 531 C4' DG B 16 2.399 1.405 -8.226 1.00 0.00 C ATOM 532 O4' DG B 16 1.963 0.854 -6.976 1.00 0.00 O ATOM 533 C3' DG B 16 1.677 0.599 -9.303 1.00 0.00 C ATOM 534 O3' DG B 16 2.549 -0.473 -9.667 1.00 0.00 O ATOM 535 C2' DG B 16 0.487 -0.023 -8.586 1.00 0.00 C ATOM 536 C1' DG B 16 1.022 -0.205 -7.171 1.00 0.00 C ATOM 537 N9 DG B 16 -0.021 -0.098 -6.128 1.00 0.00 N ATOM 538 C8 DG B 16 -1.351 0.232 -6.251 1.00 0.00 C ATOM 539 N7 DG B 16 -1.997 0.226 -5.117 1.00 0.00 N ATOM 540 C5 DG B 16 -1.030 -0.126 -4.180 1.00 0.00 C ATOM 541 C6 DG B 16 -1.140 -0.293 -2.771 1.00 0.00 C ATOM 542 O6 DG B 16 -2.137 -0.167 -2.063 1.00 0.00 O ATOM 543 N1 DG B 16 0.072 -0.651 -2.203 1.00 0.00 N ATOM 544 C2 DG B 16 1.248 -0.829 -2.899 1.00 0.00 C ATOM 545 N2 DG B 16 2.331 -1.167 -2.199 1.00 0.00 N ATOM 546 N3 DG B 16 1.359 -0.679 -4.220 1.00 0.00 N ATOM 547 C4 DG B 16 0.183 -0.327 -4.791 1.00 0.00 C ATOM 0 H5' DG B 16 2.076 3.271 -7.210 1.00 0.00 H new ATOM 0 H5'' DG B 16 2.904 3.428 -8.746 1.00 0.00 H new ATOM 0 H4' DG B 16 3.472 1.330 -8.404 1.00 0.00 H new ATOM 0 H3' DG B 16 1.393 1.193 -10.171 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.388 0.627 -8.610 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.192 -0.971 -9.035 1.00 0.00 H new ATOM 0 H1' DG B 16 1.449 -1.204 -7.078 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.816 0.473 -7.196 1.00 0.00 H new ATOM 0 H1 DG B 16 0.096 -0.794 -1.193 1.00 0.00 H new ATOM 0 H21 DG B 16 3.222 -1.309 -2.675 1.00 0.00 H new ATOM 0 H22 DG B 16 2.269 -1.284 -1.188 1.00 0.00 H new HETATM 559 P XTY B 17 2.953 -0.720 -11.205 1.00 0.00 P HETATM 560 OP1 XTY B 17 1.738 -0.566 -12.035 1.00 0.00 O HETATM 561 OP2 XTY B 17 4.159 0.084 -11.505 1.00 0.00 O HETATM 562 C5' XTY B 17 4.154 -2.813 -10.134 1.00 0.00 C HETATM 563 C4' XTY B 17 3.801 -4.272 -9.864 1.00 0.00 C HETATM 564 O4' XTY B 17 2.835 -4.323 -8.800 1.00 0.00 O HETATM 565 C3' XTY B 17 3.147 -4.995 -11.043 1.00 0.00 C HETATM 566 C2' XTY B 17 1.661 -4.944 -10.720 1.00 0.00 C HETATM 567 C1' XTY B 17 1.677 -5.064 -9.195 1.00 0.00 C HETATM 568 O5' XTY B 17 3.367 -2.273 -11.201 1.00 0.00 O HETATM 569 C2 XTY B 17 0.652 -6.277 -5.381 1.00 0.00 C HETATM 570 O2 XTY B 17 1.336 -7.116 -4.803 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.473 -5.737 -4.782 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.293 -4.795 -5.368 1.00 0.00 C HETATM 573 O4 XTY B 17 -2.282 -4.368 -4.778 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.965 -4.354 -6.653 1.00 0.00 C HETATM 575 C6 XTY B 17 0.179 -4.888 -7.293 1.00 0.00 C HETATM 576 N XTY B 17 0.983 -5.843 -6.664 1.00 0.00 N HETATM 577 CP XTY B 17 -1.770 -3.393 -7.298 1.00 0.00 C HETATM 578 CD XTY B 17 -0.294 -3.486 -9.222 1.00 0.00 C HETATM 579 C8 XTY B 17 0.536 -4.465 -8.593 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.429 -2.964 -8.577 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.297 -1.923 -9.285 1.00 0.00 C HETATM 582 O3' XTY B 17 3.552 -6.369 -10.987 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.310 -2.309 -9.396 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.320 -1.007 -8.695 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -1.880 -1.710 -10.269 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.995 -2.226 -9.230 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 5.212 -2.734 -10.384 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 1.200 -4.014 -11.054 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 1.111 -5.759 -11.190 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.651 -2.990 -6.799 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.712 -6.057 -3.844 1.00 0.00 H new HETATM 0 HN XTY B 17 1.804 -6.219 -7.139 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.042 -3.137 -10.223 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.748 -4.762 -9.637 1.00 0.00 H new HETATM 0 H3' XTY B 17 3.400 -4.566 -12.013 1.00 0.00 H new HETATM 0 H1' XTY B 17 1.680 -6.110 -8.889 1.00 0.00 H new ATOM 597 P DA B 18 3.906 -7.165 -12.343 1.00 0.00 P ATOM 598 OP1 DA B 18 5.256 -6.747 -12.782 1.00 0.00 O ATOM 599 OP2 DA B 18 2.755 -7.034 -13.267 1.00 0.00 O ATOM 600 O5' DA B 18 3.984 -8.701 -11.860 1.00 0.00 O ATOM 601 C5' DA B 18 4.850 -9.094 -10.789 1.00 0.00 C ATOM 602 C4' DA B 18 4.444 -10.450 -10.213 1.00 0.00 C ATOM 603 O4' DA B 18 3.411 -10.233 -9.245 1.00 0.00 O ATOM 604 C3' DA B 18 3.838 -11.418 -11.223 1.00 0.00 C ATOM 605 O3' DA B 18 4.013 -12.740 -10.704 1.00 0.00 O ATOM 606 C2' DA B 18 2.351 -11.108 -11.174 1.00 0.00 C ATOM 607 C1' DA B 18 2.145 -10.725 -9.708 1.00 0.00 C ATOM 608 N9 DA B 18 1.159 -9.637 -9.558 1.00 0.00 N ATOM 609 C8 DA B 18 0.874 -8.618 -10.433 1.00 0.00 C ATOM 610 N7 DA B 18 -0.017 -7.782 -9.990 1.00 0.00 N ATOM 611 C5 DA B 18 -0.347 -8.279 -8.738 1.00 0.00 C ATOM 612 C6 DA B 18 -1.240 -7.838 -7.756 1.00 0.00 C ATOM 613 N6 DA B 18 -1.981 -6.743 -7.886 1.00 0.00 N ATOM 614 N1 DA B 18 -1.336 -8.555 -6.627 1.00 0.00 N ATOM 615 C2 DA B 18 -0.585 -9.640 -6.489 1.00 0.00 C ATOM 616 N3 DA B 18 0.295 -10.160 -7.336 1.00 0.00 N ATOM 617 C4 DA B 18 0.361 -9.412 -8.459 1.00 0.00 C ATOM 0 H5' DA B 18 4.823 -8.340 -10.002 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.878 -9.143 -11.149 1.00 0.00 H new ATOM 0 H4' DA B 18 5.363 -10.885 -9.821 1.00 0.00 H new ATOM 0 H3' DA B 18 4.271 -11.338 -12.220 1.00 0.00 H new ATOM 0 H2' DA B 18 2.083 -10.295 -11.848 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.747 -11.970 -11.458 1.00 0.00 H new ATOM 0 H1' DA B 18 1.782 -11.589 -9.151 1.00 0.00 H new ATOM 0 H8 DA B 18 1.346 -8.520 -11.399 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.617 -6.466 -7.138 1.00 0.00 H new ATOM 0 H62 DA B 18 -1.914 -6.179 -8.733 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.706 -10.174 -5.558 1.00 0.00 H new HETATM 629 P XCS B 19 4.052 -14.012 -11.692 1.00 0.00 P HETATM 630 OP2 XCS B 19 5.136 -14.916 -11.244 1.00 0.00 O HETATM 631 C6 XCS B 19 -2.362 -12.177 -10.705 1.00 0.00 C HETATM 632 C2 XCS B 19 -3.997 -12.039 -8.945 1.00 0.00 C HETATM 633 O2 XCS B 19 -4.583 -12.571 -8.004 1.00 0.00 O HETATM 634 N3 XCS B 19 -4.268 -10.744 -9.304 1.00 0.00 N HETATM 635 C4 XCS B 19 -3.628 -10.151 -10.323 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.945 -8.889 -10.608 1.00 0.00 N HETATM 637 C5 XCS B 19 -2.637 -10.856 -11.074 1.00 0.00 C HETATM 638 OP1 XCS B 19 4.034 -13.519 -13.088 1.00 0.00 O HETATM 639 O5' XCS B 19 2.642 -14.730 -11.393 1.00 0.00 O HETATM 640 C5' XCS B 19 2.156 -14.849 -10.052 1.00 0.00 C HETATM 641 C4' XCS B 19 0.712 -15.351 -10.016 1.00 0.00 C HETATM 642 O4' XCS B 19 -0.174 -14.221 -9.944 1.00 0.00 O HETATM 643 C1' XCS B 19 -1.153 -14.270 -10.986 1.00 0.00 C HETATM 644 ND XCS B 19 -3.037 -12.770 -9.652 1.00 0.00 N HETATM 645 CP XCS B 19 -1.960 -10.240 -12.147 1.00 0.00 C HETATM 646 CD XCS B 19 -0.711 -12.296 -12.486 1.00 0.00 C HETATM 647 C8 XCS B 19 -1.392 -12.932 -11.405 1.00 0.00 C HETATM 648 C7 XCS B 19 -0.999 -10.967 -12.848 1.00 0.00 C HETATM 649 C7A XCS B 19 -0.264 -10.322 -14.019 1.00 0.00 C HETATM 650 C2' XCS B 19 -0.495 -15.111 -12.078 1.00 0.00 C HETATM 651 C3' XCS B 19 0.273 -16.133 -11.255 1.00 0.00 C HETATM 652 O3' XCS B 19 -0.669 -17.116 -10.817 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.478 -8.407 -11.376 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.654 -8.405 -10.058 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.984 -10.029 -14.783 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.274 -9.440 -13.670 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 0.444 -11.035 -14.441 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 2.794 -15.534 -9.493 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 2.217 -13.881 -9.556 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 -1.230 -15.580 -12.732 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 0.163 -14.517 -12.712 1.00 0.00 H new HETATM 0 HP XCS B 19 -2.185 -9.210 -12.424 1.00 0.00 H new HETATM 0 HND XCS B 19 -2.835 -13.736 -9.393 1.00 0.00 H new HETATM 0 HD XCS B 19 0.046 -12.850 -13.041 1.00 0.00 H new HETATM 0 H4' XCS B 19 0.667 -16.015 -9.153 1.00 0.00 H new HETATM 0 H3' XCS B 19 1.097 -16.599 -11.795 1.00 0.00 H new HETATM 0 H1' XCS B 19 -2.113 -14.700 -10.701 1.00 0.00 H new ATOM 668 P DA B 20 -0.196 -18.625 -10.515 1.00 0.00 P ATOM 669 OP1 DA B 20 -0.110 -19.346 -11.804 1.00 0.00 O ATOM 670 OP2 DA B 20 0.982 -18.573 -9.618 1.00 0.00 O ATOM 671 O5' DA B 20 -1.438 -19.224 -9.685 1.00 0.00 O ATOM 672 C5' DA B 20 -1.896 -18.581 -8.491 1.00 0.00 C ATOM 673 C4' DA B 20 -3.401 -18.753 -8.297 1.00 0.00 C ATOM 674 O4' DA B 20 -4.064 -17.549 -8.713 1.00 0.00 O ATOM 675 C3' DA B 20 -4.033 -19.880 -9.123 1.00 0.00 C ATOM 676 O3' DA B 20 -5.102 -20.493 -8.398 1.00 0.00 O ATOM 677 C2' DA B 20 -4.572 -19.139 -10.342 1.00 0.00 C ATOM 678 C1' DA B 20 -5.033 -17.830 -9.722 1.00 0.00 C ATOM 679 N9 DA B 20 -5.055 -16.711 -10.687 1.00 0.00 N ATOM 680 C8 DA B 20 -4.191 -16.444 -11.720 1.00 0.00 C ATOM 681 N7 DA B 20 -4.485 -15.359 -12.381 1.00 0.00 N ATOM 682 C5 DA B 20 -5.620 -14.876 -11.741 1.00 0.00 C ATOM 683 C6 DA B 20 -6.427 -13.749 -11.958 1.00 0.00 C ATOM 684 N6 DA B 20 -6.207 -12.861 -12.926 1.00 0.00 N ATOM 685 N1 DA B 20 -7.475 -13.565 -11.140 1.00 0.00 N ATOM 686 C2 DA B 20 -7.703 -14.445 -10.172 1.00 0.00 C ATOM 687 N3 DA B 20 -7.022 -15.538 -9.865 1.00 0.00 N ATOM 688 C4 DA B 20 -5.977 -15.692 -10.706 1.00 0.00 C ATOM 0 H5' DA B 20 -1.654 -17.519 -8.534 1.00 0.00 H new ATOM 0 H5'' DA B 20 -1.369 -18.994 -7.631 1.00 0.00 H new ATOM 0 H4' DA B 20 -3.524 -18.992 -7.241 1.00 0.00 H new ATOM 0 H3' DA B 20 -3.337 -20.681 -9.372 1.00 0.00 H new ATOM 0 H2' DA B 20 -3.805 -18.986 -11.101 1.00 0.00 H new ATOM 0 H2'' DA B 20 -5.390 -19.677 -10.820 1.00 0.00 H new ATOM 0 HO3' DA B 20 -5.496 -21.209 -8.939 1.00 0.00 H new ATOM 0 H1' DA B 20 -6.053 -17.928 -9.349 1.00 0.00 H new ATOM 0 H8 DA B 20 -3.347 -17.073 -11.962 1.00 0.00 H new ATOM 0 H61 DA B 20 -6.829 -12.060 -13.035 1.00 0.00 H new ATOM 0 H62 DA B 20 -5.416 -12.982 -13.559 1.00 0.00 H new ATOM 0 H2 DA B 20 -8.562 -14.241 -9.550 1.00 0.00 H new TER 701 DA B 20