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= -0.916 (180deg=-0.916) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -1.75 (180deg=-3.88!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.913 -7.060 -12.328 1.00 0.00 C HETATM 2 C4' XTY A 1 -12.742 -7.803 -11.005 1.00 0.00 C HETATM 3 O4' XTY A 1 -11.792 -8.864 -11.185 1.00 0.00 O HETATM 4 C3' XTY A 1 -12.200 -6.953 -9.860 1.00 0.00 C HETATM 5 C2' XTY A 1 -10.730 -7.342 -9.755 1.00 0.00 C HETATM 6 C1' XTY A 1 -10.740 -8.802 -10.213 1.00 0.00 C HETATM 7 O5' XTY A 1 -12.056 -5.917 -12.410 1.00 0.00 O HETATM 8 C2 XTY A 1 -8.881 -12.537 -9.557 1.00 0.00 C HETATM 9 O2 XTY A 1 -9.352 -13.369 -8.781 1.00 0.00 O HETATM 10 N3 XTY A 1 -7.716 -12.802 -10.249 1.00 0.00 N HETATM 11 C4 XTY A 1 -7.114 -11.948 -11.131 1.00 0.00 C HETATM 12 O4 XTY A 1 -6.082 -12.278 -11.710 1.00 0.00 O HETATM 13 C5 XTY A 1 -7.714 -10.711 -11.353 1.00 0.00 C HETATM 14 C6 XTY A 1 -8.913 -10.385 -10.665 1.00 0.00 C HETATM 15 N XTY A 1 -9.497 -11.296 -9.768 1.00 0.00 N HETATM 16 CP XTY A 1 -7.123 -9.804 -12.252 1.00 0.00 C HETATM 17 CD XTY A 1 -8.912 -8.230 -11.803 1.00 0.00 C HETATM 18 C8 XTY A 1 -9.534 -9.123 -10.886 1.00 0.00 C HETATM 19 C7 XTY A 1 -7.723 -8.572 -12.471 1.00 0.00 C HETATM 20 C7A XTY A 1 -7.083 -7.590 -13.446 1.00 0.00 C HETATM 21 O3' XTY A 1 -12.843 -7.403 -8.666 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -6.077 -7.343 -13.106 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -7.030 -8.043 -14.436 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -7.684 -6.682 -13.494 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -12.697 -7.736 -13.155 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -13.951 -6.745 -12.436 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -10.100 -6.721 -10.392 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -10.355 -7.239 -8.737 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.202 -10.067 -12.772 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -7.270 -13.705 -10.090 1.00 0.00 H new HETATM 0 HN XTY A 1 -10.358 -11.057 -9.277 1.00 0.00 H new HETATM 0 HD XTY A 1 -9.368 -7.258 -11.992 1.00 0.00 H new HETATM 0 H4' XTY A 1 -13.744 -8.140 -10.738 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.351 -5.883 -10.006 1.00 0.00 H new HETATM 0 H1' XTY A 1 -10.862 -9.480 -9.368 1.00 0.00 H new ATOM 37 P DG A 2 -12.964 -6.439 -7.381 1.00 0.00 P ATOM 38 OP1 DG A 2 -12.249 -5.176 -7.672 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.381 -6.404 -6.958 1.00 0.00 O ATOM 40 O5' DG A 2 -12.127 -7.244 -6.269 1.00 0.00 O ATOM 41 C5' DG A 2 -12.348 -8.643 -6.064 1.00 0.00 C ATOM 42 C4' DG A 2 -11.455 -9.195 -4.960 1.00 0.00 C ATOM 43 O4' DG A 2 -10.220 -9.633 -5.540 1.00 0.00 O ATOM 44 C3' DG A 2 -11.062 -8.177 -3.896 1.00 0.00 C ATOM 45 O3' DG A 2 -10.813 -8.906 -2.692 1.00 0.00 O ATOM 46 C2' DG A 2 -9.728 -7.630 -4.384 1.00 0.00 C ATOM 47 C1' DG A 2 -9.114 -8.842 -5.084 1.00 0.00 C ATOM 48 N9 DG A 2 -8.297 -8.470 -6.258 1.00 0.00 N ATOM 49 C8 DG A 2 -8.383 -7.350 -7.048 1.00 0.00 C ATOM 50 N7 DG A 2 -7.516 -7.323 -8.019 1.00 0.00 N ATOM 51 C5 DG A 2 -6.803 -8.506 -7.868 1.00 0.00 C ATOM 52 C6 DG A 2 -5.728 -9.025 -8.638 1.00 0.00 C ATOM 53 O6 DG A 2 -5.183 -8.526 -9.620 1.00 0.00 O ATOM 54 N1 DG A 2 -5.293 -10.247 -8.150 1.00 0.00 N ATOM 55 C2 DG A 2 -5.824 -10.895 -7.057 1.00 0.00 C ATOM 56 N2 DG A 2 -5.287 -12.069 -6.731 1.00 0.00 N ATOM 57 N3 DG A 2 -6.835 -10.416 -6.327 1.00 0.00 N ATOM 58 C4 DG A 2 -7.272 -9.219 -6.791 1.00 0.00 C ATOM 0 H5' DG A 2 -12.156 -9.182 -6.992 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.393 -8.813 -5.807 1.00 0.00 H new ATOM 0 H4' DG A 2 -12.038 -9.987 -4.489 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.811 -7.403 -3.729 1.00 0.00 H new ATOM 0 H2' DG A 2 -9.858 -6.790 -5.066 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.107 -7.279 -3.560 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.456 -9.365 -4.390 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.104 -6.564 -6.879 1.00 0.00 H new ATOM 0 H1 DG A 2 -4.521 -10.701 -8.638 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.645 -12.589 -5.930 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.518 -12.449 -7.283 1.00 0.00 H new HETATM 70 P XTY A 3 -11.165 -8.265 -1.255 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.701 -9.336 -0.387 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.950 -7.029 -1.473 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.560 -8.630 -1.014 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.299 -8.056 -0.380 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.321 -7.849 -1.408 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.482 -6.695 0.276 1.00 0.00 C HETATM 77 C2' XTY A 3 -7.123 -5.715 -0.832 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.005 -6.458 -1.570 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.716 -7.847 -0.698 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.301 -8.501 -3.901 1.00 0.00 C HETATM 81 O2 XTY A 3 -2.535 -9.306 -3.378 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.271 -8.269 -5.265 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.100 -7.381 -5.926 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.015 -7.231 -7.141 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.032 -6.668 -5.163 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.083 -6.886 -3.766 1.00 0.00 C HETATM 87 N XTY A 3 -4.228 -7.793 -3.140 1.00 0.00 N HETATM 88 CP XTY A 3 -5.905 -5.744 -5.779 1.00 0.00 C HETATM 89 CD XTY A 3 -6.880 -5.260 -3.602 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.008 -6.187 -2.963 1.00 0.00 C HETATM 91 C7 XTY A 3 -6.824 -5.047 -4.994 1.00 0.00 C HETATM 92 C7A XTY A 3 -7.774 -4.045 -5.647 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.490 -6.586 1.305 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -7.196 -3.262 -6.137 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -8.391 -4.557 -6.386 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -8.414 -3.601 -4.885 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.435 -8.674 -2.096 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.708 -9.653 -0.668 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.972 -5.507 -1.483 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.783 -4.758 -0.435 1.00 0.00 H new HETATM 0 HP XTY A 3 -5.861 -5.577 -6.855 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -2.591 -8.788 -5.821 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.281 -7.937 -2.132 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.603 -4.706 -3.004 1.00 0.00 H new HETATM 0 H4' XTY A 3 -7.009 -8.777 0.385 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.475 -6.530 0.694 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.034 -6.159 -1.175 1.00 0.00 H new ATOM 108 P DA A 4 -6.928 -6.469 2.855 1.00 0.00 P ATOM 109 OP1 DA A 4 -7.021 -5.031 3.195 1.00 0.00 O ATOM 110 OP2 DA A 4 -8.093 -7.354 3.078 1.00 0.00 O ATOM 111 O5' DA A 4 -5.664 -7.088 3.646 1.00 0.00 O ATOM 112 C5' DA A 4 -5.393 -8.497 3.634 1.00 0.00 C ATOM 113 C4' DA A 4 -3.918 -8.789 3.920 1.00 0.00 C ATOM 114 O4' DA A 4 -3.192 -8.651 2.691 1.00 0.00 O ATOM 115 C3' DA A 4 -3.242 -7.803 4.863 1.00 0.00 C ATOM 116 O3' DA A 4 -2.032 -8.421 5.321 1.00 0.00 O ATOM 117 C2' DA A 4 -2.843 -6.671 3.933 1.00 0.00 C ATOM 118 C1' DA A 4 -2.416 -7.439 2.680 1.00 0.00 C ATOM 119 N9 DA A 4 -2.750 -6.705 1.448 1.00 0.00 N ATOM 120 C8 DA A 4 -3.847 -5.920 1.212 1.00 0.00 C ATOM 121 N7 DA A 4 -3.913 -5.461 0.002 1.00 0.00 N ATOM 122 C5 DA A 4 -2.780 -5.971 -0.609 1.00 0.00 C ATOM 123 C6 DA A 4 -2.283 -5.844 -1.905 1.00 0.00 C ATOM 124 N6 DA A 4 -2.912 -5.170 -2.860 1.00 0.00 N ATOM 125 N1 DA A 4 -1.135 -6.465 -2.200 1.00 0.00 N ATOM 126 C2 DA A 4 -0.526 -7.171 -1.261 1.00 0.00 C ATOM 127 N3 DA A 4 -0.893 -7.378 0.001 1.00 0.00 N ATOM 128 C4 DA A 4 -2.053 -6.732 0.258 1.00 0.00 C ATOM 0 H5' DA A 4 -5.665 -8.912 2.664 1.00 0.00 H new ATOM 0 H5'' DA A 4 -6.014 -8.994 4.379 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.904 -9.781 4.371 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.856 -7.494 5.709 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.672 -5.992 3.735 1.00 0.00 H new ATOM 0 H2'' DA A 4 -2.030 -6.071 4.343 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.338 -7.602 2.691 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.590 -5.703 1.966 1.00 0.00 H new ATOM 0 H61 DA A 4 -2.505 -5.107 -3.793 1.00 0.00 H new ATOM 0 H62 DA A 4 -3.803 -4.715 -2.661 1.00 0.00 H new ATOM 0 H2 DA A 4 0.397 -7.645 -1.561 1.00 0.00 H new HETATM 140 P XCS A 5 -1.346 -7.982 6.715 1.00 0.00 P HETATM 141 OP2 XCS A 5 -2.137 -6.876 7.299 1.00 0.00 O HETATM 142 C6 XCS A 5 0.177 -2.478 2.688 1.00 0.00 C HETATM 143 C2 XCS A 5 1.308 -1.783 0.680 1.00 0.00 C HETATM 144 O2 XCS A 5 2.298 -1.837 -0.045 1.00 0.00 O HETATM 145 N3 XCS A 5 0.219 -1.020 0.335 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.871 -0.964 1.112 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.890 -0.206 0.703 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.934 -1.701 2.334 1.00 0.00 C HETATM 149 OP1 XCS A 5 -1.093 -9.205 7.508 1.00 0.00 O HETATM 150 O5' XCS A 5 0.079 -7.387 6.243 1.00 0.00 O HETATM 151 C5' XCS A 5 0.420 -7.315 4.852 1.00 0.00 C HETATM 152 C4' XCS A 5 1.567 -6.345 4.584 1.00 0.00 C HETATM 153 O4' XCS A 5 1.109 -5.327 3.681 1.00 0.00 O HETATM 154 C1' XCS A 5 1.323 -4.012 4.209 1.00 0.00 C HETATM 155 ND XCS A 5 1.292 -2.521 1.869 1.00 0.00 N HETATM 156 CP XCS A 5 -2.080 -1.648 3.152 1.00 0.00 C HETATM 157 CD XCS A 5 -0.995 -3.169 4.703 1.00 0.00 C HETATM 158 C8 XCS A 5 0.174 -3.236 3.887 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.102 -2.384 4.333 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.334 -2.341 5.233 1.00 0.00 C HETATM 161 C2' XCS A 5 1.466 -4.218 5.722 1.00 0.00 C HETATM 162 C3' XCS A 5 2.091 -5.604 5.811 1.00 0.00 C HETATM 163 O3' XCS A 5 3.498 -5.445 5.636 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.736 -0.140 1.269 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.823 0.307 -0.176 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.512 -1.316 5.557 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.201 -2.702 4.680 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.170 -2.974 6.105 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 0.697 -8.308 4.497 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 -0.455 -7.005 4.282 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.101 -3.457 6.176 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.503 -4.174 6.230 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.937 -1.039 2.864 1.00 0.00 H new HETATM 0 HND XCS A 5 2.098 -3.088 2.131 1.00 0.00 H new HETATM 0 HD XCS A 5 -1.031 -3.738 5.632 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.374 -6.965 4.195 1.00 0.00 H new HETATM 0 H3' XCS A 5 1.870 -6.114 6.749 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.198 -3.498 3.812 1.00 0.00 H new HETATM 179 P XGA A 6 4.501 -5.623 6.884 1.00 0.00 P HETATM 180 OP1 XGA A 6 4.820 -7.061 7.023 1.00 0.00 O HETATM 181 OP2 XGA A 6 3.946 -4.873 8.034 1.00 0.00 O HETATM 182 C5' XGA A 6 6.233 -4.958 5.009 1.00 0.00 C HETATM 183 O5' XGA A 6 5.819 -4.858 6.374 1.00 0.00 O HETATM 184 C4' XGA A 6 6.926 -3.683 4.543 1.00 0.00 C HETATM 185 O4' XGA A 6 5.933 -2.770 4.055 1.00 0.00 O HETATM 186 C3' XGA A 6 7.671 -2.927 5.638 1.00 0.00 C HETATM 187 C2' XGA A 6 6.686 -1.861 6.093 1.00 0.00 C HETATM 188 C1' XGA A 6 5.928 -1.551 4.807 1.00 0.00 C HETATM 189 N9 XGA A 6 4.555 -1.115 5.021 1.00 0.00 N HETATM 190 C8 XGA A 6 3.772 -1.376 6.121 1.00 0.00 C HETATM 191 N7 XGA A 6 2.574 -0.856 6.007 1.00 0.00 N HETATM 192 C4 XGA A 6 3.028 0.899 2.236 1.00 0.00 C HETATM 193 C5 XGA A 6 1.778 1.054 2.871 1.00 0.00 C HETATM 194 N3 XGA A 6 3.289 1.417 1.029 1.00 0.00 N HETATM 195 C2 XGA A 6 2.293 2.107 0.429 1.00 0.00 C HETATM 196 N2 XGA A 6 2.534 2.632 -0.795 1.00 0.00 N HETATM 197 N1 XGA A 6 1.073 2.301 0.965 1.00 0.00 N HETATM 198 C6 XGA A 6 0.782 1.775 2.209 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.336 1.932 2.701 1.00 0.00 O HETATM 200 C10 XGA A 6 3.796 -0.371 4.141 1.00 0.00 C HETATM 201 C11 XGA A 6 2.568 -0.230 4.789 1.00 0.00 C HETATM 202 CP XGA A 6 1.544 0.489 4.153 1.00 0.00 C HETATM 203 CD XGA A 6 4.042 0.182 2.872 1.00 0.00 C HETATM 204 O3' XGA A 6 8.761 -2.251 5.009 1.00 0.00 O HETATM 0 HN22 XGA A 6 1.805 3.158 -1.277 1.00 0.00 H new HETATM 0 HN21 XGA A 6 3.444 2.501 -1.236 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 6.910 -5.805 4.894 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.366 -5.154 4.378 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.024 -2.227 6.877 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.193 -0.981 6.489 1.00 0.00 H new HETATM 0 HP XGA A 6 0.576 0.613 4.639 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.368 2.833 0.455 1.00 0.00 H new HETATM 0 HD XGA A 6 5.012 0.052 2.392 1.00 0.00 H new HETATM 0 H8 XGA A 6 4.108 -1.948 6.986 1.00 0.00 H new HETATM 0 H4' XGA A 6 7.648 -4.007 3.793 1.00 0.00 H new HETATM 0 H3' XGA A 6 8.023 -3.566 6.448 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.414 -0.721 4.295 1.00 0.00 H new ATOM 218 P DC A 7 10.136 -1.985 5.808 1.00 0.00 P ATOM 219 OP1 DC A 7 11.118 -3.010 5.391 1.00 0.00 O ATOM 220 OP2 DC A 7 9.814 -1.811 7.242 1.00 0.00 O ATOM 221 O5' DC A 7 10.611 -0.563 5.222 1.00 0.00 O ATOM 222 C5' DC A 7 10.225 -0.149 3.907 1.00 0.00 C ATOM 223 C4' DC A 7 10.361 1.360 3.724 1.00 0.00 C ATOM 224 O4' DC A 7 9.052 1.930 3.570 1.00 0.00 O ATOM 225 C3' DC A 7 10.993 2.099 4.906 1.00 0.00 C ATOM 226 O3' DC A 7 11.763 3.177 4.367 1.00 0.00 O ATOM 227 C2' DC A 7 9.813 2.715 5.644 1.00 0.00 C ATOM 228 C1' DC A 7 8.841 2.993 4.502 1.00 0.00 C ATOM 229 N1 DC A 7 7.413 2.990 4.919 1.00 0.00 N ATOM 230 C2 DC A 7 6.544 3.831 4.233 1.00 0.00 C ATOM 231 O2 DC A 7 6.955 4.538 3.312 1.00 0.00 O ATOM 232 N3 DC A 7 5.232 3.852 4.594 1.00 0.00 N ATOM 233 C4 DC A 7 4.783 3.078 5.589 1.00 0.00 C ATOM 234 N4 DC A 7 3.485 3.144 5.892 1.00 0.00 N ATOM 235 C5 DC A 7 5.665 2.208 6.300 1.00 0.00 C ATOM 236 C6 DC A 7 6.961 2.193 5.938 1.00 0.00 C ATOM 0 H5' DC A 7 9.193 -0.446 3.721 1.00 0.00 H new ATOM 0 H5'' DC A 7 10.842 -0.662 3.169 1.00 0.00 H new ATOM 0 H4' DC A 7 11.010 1.480 2.857 1.00 0.00 H new ATOM 0 H3' DC A 7 11.610 1.458 5.536 1.00 0.00 H new ATOM 0 H2' DC A 7 9.392 2.033 6.383 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.092 3.626 6.174 1.00 0.00 H new ATOM 0 H1' DC A 7 9.029 3.988 4.098 1.00 0.00 H new ATOM 0 H41 DC A 7 3.107 2.569 6.645 1.00 0.00 H new ATOM 0 H42 DC A 7 2.871 3.770 5.371 1.00 0.00 H new ATOM 0 H5 DC A 7 5.303 1.582 7.102 1.00 0.00 H new ATOM 0 H6 DC A 7 7.653 1.546 6.456 1.00 0.00 H new HETATM 248 P XAE A 8 13.131 3.644 5.081 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.266 3.177 4.256 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.058 3.275 6.512 1.00 0.00 O HETATM 251 C5' XAE A 8 12.564 5.878 3.785 1.00 0.00 C HETATM 252 C4' XAE A 8 11.954 7.244 4.081 1.00 0.00 C HETATM 253 O4' XAE A 8 10.568 7.073 4.423 1.00 0.00 O HETATM 254 C3' XAE A 8 12.574 7.981 5.272 1.00 0.00 C HETATM 255 C2' XAE A 8 11.618 7.688 6.416 1.00 0.00 C HETATM 256 C1' XAE A 8 10.283 7.681 5.685 1.00 0.00 C HETATM 257 O5' XAE A 8 13.055 5.249 4.973 1.00 0.00 O HETATM 258 N9 XAE A 8 9.226 6.958 6.373 1.00 0.00 N HETATM 259 C8 XAE A 8 9.380 5.992 7.337 1.00 0.00 C HETATM 260 N7 XAE A 8 8.226 5.556 7.785 1.00 0.00 N HETATM 261 C5 XAE A 8 5.106 7.057 6.326 1.00 0.00 C HETATM 262 C4 XAE A 8 5.725 7.944 5.421 1.00 0.00 C HETATM 263 C6 XAE A 8 3.680 7.046 6.362 1.00 0.00 C HETATM 264 N6 XAE A 8 2.996 6.249 7.184 1.00 0.00 N HETATM 265 N1 XAE A 8 2.999 7.861 5.550 1.00 0.00 N HETATM 266 C2 XAE A 8 3.696 8.656 4.737 1.00 0.00 C HETATM 267 N3 XAE A 8 5.023 8.776 4.594 1.00 0.00 N HETATM 268 C10 XAE A 8 7.873 7.151 6.192 1.00 0.00 C HETATM 269 C11 XAE A 8 7.281 6.262 7.089 1.00 0.00 C HETATM 270 CP XAE A 8 5.881 6.208 7.163 1.00 0.00 C HETATM 271 CD XAE A 8 7.116 7.995 5.357 1.00 0.00 C HETATM 272 O3' XAE A 8 12.469 9.382 5.001 1.00 0.00 O HETATM 0 HN62 XAE A 8 1.976 6.269 7.182 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.493 5.620 7.815 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 11.815 5.239 3.318 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.379 5.990 3.069 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.830 6.733 6.896 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.659 8.451 7.193 1.00 0.00 H new HETATM 0 HP XAE A 8 5.392 5.522 7.855 1.00 0.00 H new HETATM 0 HD XAE A 8 7.612 8.680 4.669 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.346 5.630 7.688 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.129 7.830 3.179 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.607 7.696 5.472 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.099 9.303 4.095 1.00 0.00 H new HETATM 0 H1' XAE A 8 9.896 8.697 5.607 1.00 0.00 H new HETATM 286 P XGA A 9 13.681 10.196 4.321 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.227 9.382 3.211 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.578 10.678 5.396 1.00 0.00 O HETATM 289 C5' XGA A 9 12.026 11.297 2.585 1.00 0.00 C HETATM 290 O5' XGA A 9 12.916 11.465 3.694 1.00 0.00 O HETATM 291 C4' XGA A 9 10.865 12.287 2.637 1.00 0.00 C HETATM 292 O4' XGA A 9 9.815 11.722 3.438 1.00 0.00 O HETATM 293 C3' XGA A 9 11.185 13.630 3.290 1.00 0.00 C HETATM 294 C2' XGA A 9 10.745 13.446 4.735 1.00 0.00 C HETATM 295 C1' XGA A 9 9.521 12.555 4.567 1.00 0.00 C HETATM 296 N9 XGA A 9 9.229 11.732 5.729 1.00 0.00 N HETATM 297 C8 XGA A 9 10.145 11.124 6.553 1.00 0.00 C HETATM 298 N7 XGA A 9 9.564 10.441 7.513 1.00 0.00 N HETATM 299 C4 XGA A 9 5.583 11.236 6.496 1.00 0.00 C HETATM 300 C5 XGA A 9 5.805 10.419 7.625 1.00 0.00 C HETATM 301 N3 XGA A 9 4.355 11.558 6.075 1.00 0.00 N HETATM 302 C2 XGA A 9 3.312 11.066 6.779 1.00 0.00 C HETATM 303 N2 XGA A 9 2.064 11.378 6.361 1.00 0.00 N HETATM 304 N1 XGA A 9 3.433 10.279 7.868 1.00 0.00 N HETATM 305 C6 XGA A 9 4.693 9.932 8.322 1.00 0.00 C HETATM 306 O6 XGA A 9 4.817 9.216 9.316 1.00 0.00 O HETATM 307 C10 XGA A 9 7.972 11.413 6.199 1.00 0.00 C HETATM 308 C11 XGA A 9 8.220 10.607 7.311 1.00 0.00 C HETATM 309 CP XGA A 9 7.129 10.100 8.036 1.00 0.00 C HETATM 310 CD XGA A 9 6.669 11.735 5.780 1.00 0.00 C HETATM 311 O3' XGA A 9 10.304 14.593 2.703 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.253 11.024 6.868 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.934 11.967 5.539 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.576 11.430 1.654 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.636 10.279 2.582 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.517 12.973 5.342 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.500 14.394 5.213 1.00 0.00 H new HETATM 0 HP XGA A 9 7.296 9.467 8.907 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.601 9.942 8.353 1.00 0.00 H new HETATM 0 HD XGA A 9 6.511 12.367 4.906 1.00 0.00 H new HETATM 0 H8 XGA A 9 11.225 11.199 6.425 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.603 12.465 1.594 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.226 13.936 3.185 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.633 13.173 4.433 1.00 0.00 H new ATOM 325 P DT A 10 10.681 16.160 2.674 1.00 0.00 P ATOM 326 OP1 DT A 10 11.068 16.516 1.290 1.00 0.00 O ATOM 327 OP2 DT A 10 11.608 16.439 3.794 1.00 0.00 O ATOM 328 O5' DT A 10 9.270 16.868 3.000 1.00 0.00 O ATOM 329 C5' DT A 10 8.049 16.118 2.951 1.00 0.00 C ATOM 330 C4' DT A 10 6.896 16.849 3.636 1.00 0.00 C ATOM 331 O4' DT A 10 6.310 15.971 4.607 1.00 0.00 O ATOM 332 C3' DT A 10 7.291 18.117 4.404 1.00 0.00 C ATOM 333 O3' DT A 10 6.254 19.097 4.319 1.00 0.00 O ATOM 334 C2' DT A 10 7.429 17.613 5.836 1.00 0.00 C ATOM 335 C1' DT A 10 6.326 16.564 5.904 1.00 0.00 C ATOM 336 N1 DT A 10 6.575 15.506 6.915 1.00 0.00 N ATOM 337 C2 DT A 10 5.471 14.975 7.567 1.00 0.00 C ATOM 338 O2 DT A 10 4.322 15.344 7.331 1.00 0.00 O ATOM 339 N3 DT A 10 5.733 13.996 8.507 1.00 0.00 N ATOM 340 C4 DT A 10 6.979 13.507 8.850 1.00 0.00 C ATOM 341 O4 DT A 10 7.088 12.632 9.706 1.00 0.00 O ATOM 342 C5 DT A 10 8.070 14.113 8.125 1.00 0.00 C ATOM 343 C7 DT A 10 9.504 13.676 8.417 1.00 0.00 C ATOM 344 C6 DT A 10 7.846 15.067 7.200 1.00 0.00 C ATOM 0 H5' DT A 10 8.199 15.150 3.430 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.786 15.922 1.911 1.00 0.00 H new ATOM 0 H4' DT A 10 6.226 17.142 2.827 1.00 0.00 H new ATOM 0 H3' DT A 10 8.193 18.594 4.021 1.00 0.00 H new ATOM 0 H2' DT A 10 8.413 17.185 6.026 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.282 18.409 6.566 1.00 0.00 H new ATOM 0 HO3' DT A 10 6.520 19.899 4.815 1.00 0.00 H new ATOM 0 H1' DT A 10 5.386 17.034 6.195 1.00 0.00 H new ATOM 0 H3 DT A 10 4.930 13.597 8.994 1.00 0.00 H new ATOM 0 H71 DT A 10 10.107 13.782 7.515 1.00 0.00 H new ATOM 0 H72 DT A 10 9.921 14.300 9.208 1.00 0.00 H new ATOM 0 H73 DT A 10 9.509 12.634 8.736 1.00 0.00 H new ATOM 0 H6 DT A 10 8.684 15.496 6.671 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -2.454 11.167 18.427 1.00 0.00 C HETATM 360 C4' XAE B 11 -2.833 11.875 17.127 1.00 0.00 C HETATM 361 O4' XAE B 11 -1.647 12.420 16.528 1.00 0.00 O HETATM 362 C3' XAE B 11 -3.446 10.971 16.063 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.270 10.601 15.169 1.00 0.00 C HETATM 364 C1' XAE B 11 -1.415 11.860 15.228 1.00 0.00 C HETATM 365 O5' XAE B 11 -2.090 9.803 18.200 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.001 11.588 15.052 1.00 0.00 N HETATM 367 C8 XAE B 11 0.829 11.003 15.973 1.00 0.00 C HETATM 368 N7 XAE B 11 2.049 10.855 15.516 1.00 0.00 N HETATM 369 C5 XAE B 11 2.765 12.033 12.025 1.00 0.00 C HETATM 370 C4 XAE B 11 1.476 12.513 11.710 1.00 0.00 C HETATM 371 C6 XAE B 11 3.772 12.149 11.023 1.00 0.00 C HETATM 372 N6 XAE B 11 5.019 11.722 11.222 1.00 0.00 N HETATM 373 N1 XAE B 11 3.465 12.699 9.847 1.00 0.00 N HETATM 374 C2 XAE B 11 2.214 13.118 9.661 1.00 0.00 C HETATM 375 N3 XAE B 11 1.166 13.076 10.500 1.00 0.00 N HETATM 376 C10 XAE B 11 0.747 11.838 13.918 1.00 0.00 C HETATM 377 C11 XAE B 11 2.018 11.365 14.245 1.00 0.00 C HETATM 378 CP XAE B 11 3.043 11.460 13.294 1.00 0.00 C HETATM 379 CD XAE B 11 0.458 12.409 12.662 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.330 11.783 15.282 1.00 0.00 O HETATM 0 HN62 XAE B 11 5.716 11.820 10.483 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.277 11.297 12.113 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -1.623 11.692 18.898 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -3.293 11.209 19.122 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -1.735 9.727 15.541 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.588 10.371 14.152 1.00 0.00 H new HETATM 0 HP XAE B 11 4.044 11.097 13.526 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.547 12.765 12.436 1.00 0.00 H new HETATM 0 H8 XAE B 11 0.512 10.696 16.970 1.00 0.00 H new HETATM 0 H4' XAE B 11 -3.573 12.620 17.418 1.00 0.00 H new HETATM 0 H3' XAE B 11 -3.970 10.108 16.472 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.011 13.559 8.685 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.688 12.537 14.418 1.00 0.00 H new ATOM 395 P DC B 12 -5.584 11.130 14.506 1.00 0.00 P ATOM 396 OP1 DC B 12 -5.576 9.670 14.749 1.00 0.00 O ATOM 397 OP2 DC B 12 -6.790 11.924 14.829 1.00 0.00 O ATOM 398 O5' DC B 12 -5.216 11.382 12.956 1.00 0.00 O ATOM 399 C5' DC B 12 -4.111 12.215 12.585 1.00 0.00 C ATOM 400 C4' DC B 12 -3.889 12.224 11.077 1.00 0.00 C ATOM 401 O4' DC B 12 -2.484 12.092 10.808 1.00 0.00 O ATOM 402 C3' DC B 12 -4.557 11.074 10.320 1.00 0.00 C ATOM 403 O3' DC B 12 -4.935 11.588 9.041 1.00 0.00 O ATOM 404 C2' DC B 12 -3.432 10.079 10.085 1.00 0.00 C ATOM 405 C1' DC B 12 -2.239 11.004 9.910 1.00 0.00 C ATOM 406 N1 DC B 12 -0.950 10.365 10.261 1.00 0.00 N ATOM 407 C2 DC B 12 0.075 10.438 9.328 1.00 0.00 C ATOM 408 O2 DC B 12 -0.105 11.005 8.252 1.00 0.00 O ATOM 409 N3 DC B 12 1.275 9.872 9.628 1.00 0.00 N ATOM 410 C4 DC B 12 1.468 9.254 10.799 1.00 0.00 C ATOM 411 N4 DC B 12 2.672 8.728 11.033 1.00 0.00 N ATOM 412 C5 DC B 12 0.418 9.169 11.767 1.00 0.00 C ATOM 413 C6 DC B 12 -0.767 9.734 11.460 1.00 0.00 C ATOM 0 H5' DC B 12 -3.208 11.863 13.083 1.00 0.00 H new ATOM 0 H5'' DC B 12 -4.291 13.233 12.932 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.327 13.163 10.737 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.413 10.645 10.841 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.303 9.399 10.927 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.607 9.464 9.202 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.148 11.303 8.866 1.00 0.00 H new ATOM 0 H41 DC B 12 2.857 8.249 11.914 1.00 0.00 H new ATOM 0 H42 DC B 12 3.407 8.805 10.330 1.00 0.00 H new ATOM 0 H5 DC B 12 0.570 8.669 12.712 1.00 0.00 H new ATOM 0 H6 DC B 12 -1.580 9.688 12.169 1.00 0.00 H new ATOM 425 P DT B 13 -6.178 10.958 8.234 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.395 11.723 8.586 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.152 9.489 8.411 1.00 0.00 O ATOM 428 O5' DT B 13 -5.803 11.286 6.702 1.00 0.00 O ATOM 429 C5' DT B 13 -4.956 12.393 6.372 1.00 0.00 C ATOM 430 C4' DT B 13 -4.149 12.124 5.107 1.00 0.00 C ATOM 431 O4' DT B 13 -2.885 11.548 5.473 1.00 0.00 O ATOM 432 C3' DT B 13 -4.789 11.120 4.145 1.00 0.00 C ATOM 433 O3' DT B 13 -4.423 11.517 2.820 1.00 0.00 O ATOM 434 C2' DT B 13 -4.060 9.819 4.438 1.00 0.00 C ATOM 435 C1' DT B 13 -2.664 10.328 4.761 1.00 0.00 C ATOM 436 N1 DT B 13 -1.884 9.402 5.618 1.00 0.00 N ATOM 437 C2 DT B 13 -0.553 9.201 5.291 1.00 0.00 C ATOM 438 O2 DT B 13 -0.017 9.754 4.332 1.00 0.00 O ATOM 439 N3 DT B 13 0.149 8.334 6.107 1.00 0.00 N ATOM 440 C4 DT B 13 -0.353 7.658 7.203 1.00 0.00 C ATOM 441 O4 DT B 13 0.372 6.910 7.855 1.00 0.00 O ATOM 442 C5 DT B 13 -1.748 7.923 7.471 1.00 0.00 C ATOM 443 C7 DT B 13 -2.433 7.227 8.646 1.00 0.00 C ATOM 444 C6 DT B 13 -2.456 8.767 6.692 1.00 0.00 C ATOM 0 H5' DT B 13 -4.278 12.593 7.201 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.563 13.288 6.234 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.075 13.090 4.607 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.872 11.047 4.243 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.504 9.278 5.273 1.00 0.00 H new ATOM 0 H2'' DT B 13 -4.064 9.144 3.583 1.00 0.00 H new ATOM 0 H1' DT B 13 -2.084 10.440 3.845 1.00 0.00 H new ATOM 0 H3 DT B 13 1.131 8.178 5.879 1.00 0.00 H new ATOM 0 H71 DT B 13 -1.968 6.256 8.815 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.330 7.839 9.542 1.00 0.00 H new ATOM 0 H73 DT B 13 -3.490 7.089 8.421 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.496 8.947 6.919 1.00 0.00 H new HETATM 457 P XGA B 14 -5.543 11.684 1.673 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.052 13.072 1.721 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.486 10.548 1.777 1.00 0.00 O HETATM 460 C5' XGA B 14 -3.404 12.117 0.175 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.691 11.504 0.318 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.510 11.338 -0.789 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.658 10.465 -0.029 1.00 0.00 O HETATM 464 C3' XGA B 14 -3.256 10.421 -1.757 1.00 0.00 C HETATM 465 C2' XGA B 14 -3.242 9.071 -1.061 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.877 9.093 -0.381 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.808 8.258 0.809 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.834 8.010 1.684 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.466 7.224 2.666 1.00 0.00 N HETATM 470 C4 XGA B 14 1.523 6.653 1.535 1.00 0.00 C HETATM 471 C5 XGA B 14 1.086 6.006 2.710 1.00 0.00 C HETATM 472 N3 XGA B 14 2.779 6.540 1.080 1.00 0.00 N HETATM 473 C2 XGA B 14 3.628 5.768 1.800 1.00 0.00 C HETATM 474 N2 XGA B 14 4.904 5.646 1.359 1.00 0.00 N HETATM 475 N1 XGA B 14 3.290 5.117 2.931 1.00 0.00 N HETATM 476 C6 XGA B 14 2.000 5.221 3.418 1.00 0.00 C HETATM 477 O6 XGA B 14 1.680 4.636 4.451 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.697 7.577 1.268 1.00 0.00 C HETATM 479 C11 XGA B 14 -1.147 6.945 2.428 1.00 0.00 C HETATM 480 CP XGA B 14 -0.253 6.150 3.160 1.00 0.00 C HETATM 481 CD XGA B 14 0.629 7.443 0.808 1.00 0.00 C HETATM 482 O3' XGA B 14 -2.442 10.298 -2.929 1.00 0.00 O HETATM 0 HN22 XGA B 14 5.570 5.073 1.877 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.198 6.128 0.509 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.526 13.138 -0.186 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.920 12.179 1.150 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -4.056 8.971 -0.343 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -3.336 8.245 -1.766 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.584 5.646 4.068 1.00 0.00 H new HETATM 0 HN1 XGA B 14 3.981 4.552 3.424 1.00 0.00 H new HETATM 0 HD XGA B 14 0.952 7.949 -0.102 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.839 8.419 1.576 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.985 12.101 -1.364 1.00 0.00 H new HETATM 0 H3' XGA B 14 -4.255 10.772 -2.013 1.00 0.00 H new HETATM 0 H1' XGA B 14 -1.120 8.691 -1.054 1.00 0.00 H new ATOM 496 P DC B 15 -3.090 9.897 -4.351 1.00 0.00 P ATOM 497 OP1 DC B 15 -2.559 10.820 -5.379 1.00 0.00 O ATOM 498 OP2 DC B 15 -4.553 9.752 -4.175 1.00 0.00 O ATOM 499 O5' DC B 15 -2.468 8.433 -4.620 1.00 0.00 O ATOM 500 C5' DC B 15 -1.446 7.906 -3.767 1.00 0.00 C ATOM 501 C4' DC B 15 -0.640 6.806 -4.450 1.00 0.00 C ATOM 502 O4' DC B 15 -0.211 5.863 -3.459 1.00 0.00 O ATOM 503 C3' DC B 15 -1.410 5.980 -5.471 1.00 0.00 C ATOM 504 O3' DC B 15 -0.442 5.433 -6.372 1.00 0.00 O ATOM 505 C2' DC B 15 -1.961 4.823 -4.651 1.00 0.00 C ATOM 506 C1' DC B 15 -0.832 4.584 -3.653 1.00 0.00 C ATOM 507 N1 DC B 15 -1.314 4.090 -2.344 1.00 0.00 N ATOM 508 C2 DC B 15 -0.688 2.972 -1.809 1.00 0.00 C ATOM 509 O2 DC B 15 0.216 2.411 -2.424 1.00 0.00 O ATOM 510 N3 DC B 15 -1.092 2.519 -0.591 1.00 0.00 N ATOM 511 C4 DC B 15 -2.069 3.137 0.083 1.00 0.00 C ATOM 512 N4 DC B 15 -2.394 2.660 1.284 1.00 0.00 N ATOM 513 C5 DC B 15 -2.722 4.287 -0.461 1.00 0.00 C ATOM 514 C6 DC B 15 -2.318 4.728 -1.668 1.00 0.00 C ATOM 0 H5' DC B 15 -1.901 7.511 -2.859 1.00 0.00 H new ATOM 0 H5'' DC B 15 -0.776 8.711 -3.464 1.00 0.00 H new ATOM 0 H4' DC B 15 0.166 7.331 -4.963 1.00 0.00 H new ATOM 0 H3' DC B 15 -2.174 6.539 -6.011 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.897 5.082 -4.156 1.00 0.00 H new ATOM 0 H2'' DC B 15 -2.158 3.944 -5.265 1.00 0.00 H new ATOM 0 H1' DC B 15 -0.157 3.822 -4.043 1.00 0.00 H new ATOM 0 H41 DC B 15 -3.134 3.106 1.827 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.903 1.849 1.661 1.00 0.00 H new ATOM 0 H5 DC B 15 -3.514 4.786 0.078 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.791 5.594 -2.107 1.00 0.00 H new ATOM 526 P DG B 16 -0.806 5.170 -7.918 1.00 0.00 P ATOM 527 OP1 DG B 16 -0.394 6.357 -8.699 1.00 0.00 O ATOM 528 OP2 DG B 16 -2.203 4.686 -7.993 1.00 0.00 O ATOM 529 O5' DG B 16 0.172 3.948 -8.304 1.00 0.00 O ATOM 530 C5' DG B 16 1.503 3.885 -7.779 1.00 0.00 C ATOM 531 C4' DG B 16 2.018 2.450 -7.716 1.00 0.00 C ATOM 532 O4' DG B 16 1.627 1.871 -6.463 1.00 0.00 O ATOM 533 C3' DG B 16 1.454 1.519 -8.786 1.00 0.00 C ATOM 534 O3' DG B 16 2.473 0.556 -9.078 1.00 0.00 O ATOM 535 C2' DG B 16 0.330 0.774 -8.082 1.00 0.00 C ATOM 536 C1' DG B 16 0.866 0.676 -6.661 1.00 0.00 C ATOM 537 N9 DG B 16 -0.197 0.629 -5.637 1.00 0.00 N ATOM 538 C8 DG B 16 -1.372 1.337 -5.574 1.00 0.00 C ATOM 539 N7 DG B 16 -2.067 1.105 -4.494 1.00 0.00 N ATOM 540 C5 DG B 16 -1.301 0.178 -3.795 1.00 0.00 C ATOM 541 C6 DG B 16 -1.543 -0.449 -2.541 1.00 0.00 C ATOM 542 O6 DG B 16 -2.499 -0.295 -1.785 1.00 0.00 O ATOM 543 N1 DG B 16 -0.518 -1.319 -2.198 1.00 0.00 N ATOM 544 C2 DG B 16 0.602 -1.562 -2.964 1.00 0.00 C ATOM 545 N2 DG B 16 1.484 -2.448 -2.499 1.00 0.00 N ATOM 546 N3 DG B 16 0.836 -0.976 -4.139 1.00 0.00 N ATOM 547 C4 DG B 16 -0.154 -0.122 -4.489 1.00 0.00 C ATOM 0 H5' DG B 16 1.521 4.322 -6.781 1.00 0.00 H new ATOM 0 H5'' DG B 16 2.168 4.483 -8.401 1.00 0.00 H new ATOM 0 H4' DG B 16 3.095 2.530 -7.860 1.00 0.00 H new ATOM 0 H3' DG B 16 1.132 2.038 -9.689 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.613 1.319 -8.127 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.152 -0.208 -8.521 1.00 0.00 H new ATOM 0 H1' DG B 16 1.439 -0.245 -6.553 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.691 2.022 -6.346 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.599 -1.817 -1.311 1.00 0.00 H new ATOM 0 H21 DG B 16 2.327 -2.658 -3.034 1.00 0.00 H new ATOM 0 H22 DG B 16 1.316 -2.916 -1.608 1.00 0.00 H new HETATM 559 P XTY B 17 2.778 0.115 -10.597 1.00 0.00 P HETATM 560 OP1 XTY B 17 1.623 0.502 -11.437 1.00 0.00 O HETATM 561 OP2 XTY B 17 4.138 0.582 -10.949 1.00 0.00 O HETATM 562 C5' XTY B 17 3.791 -2.159 -9.698 1.00 0.00 C HETATM 563 C4' XTY B 17 3.467 -3.640 -9.537 1.00 0.00 C HETATM 564 O4' XTY B 17 2.606 -3.802 -8.401 1.00 0.00 O HETATM 565 C3' XTY B 17 2.709 -4.252 -10.711 1.00 0.00 C HETATM 566 C2' XTY B 17 1.252 -4.200 -10.275 1.00 0.00 C HETATM 567 C1' XTY B 17 1.362 -4.415 -8.762 1.00 0.00 C HETATM 568 O5' XTY B 17 2.808 -1.491 -10.494 1.00 0.00 O HETATM 569 C2 XTY B 17 0.863 -5.438 -4.798 1.00 0.00 C HETATM 570 O2 XTY B 17 1.575 -6.304 -4.293 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.109 -4.797 -4.055 1.00 0.00 N HETATM 572 C4 XTY B 17 -0.952 -3.818 -4.547 1.00 0.00 C HETATM 573 O4 XTY B 17 -1.787 -3.285 -3.821 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.814 -3.451 -5.888 1.00 0.00 C HETATM 575 C6 XTY B 17 0.173 -4.090 -6.675 1.00 0.00 C HETATM 576 N XTY B 17 1.006 -5.075 -6.137 1.00 0.00 N HETATM 577 CP XTY B 17 -1.651 -2.459 -6.442 1.00 0.00 C HETATM 578 CD XTY B 17 -0.518 -2.734 -8.573 1.00 0.00 C HETATM 579 C8 XTY B 17 0.342 -3.743 -8.035 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.499 -2.109 -7.781 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.405 -1.044 -8.395 1.00 0.00 C HETATM 582 O3' XTY B 17 3.091 -5.629 -10.793 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.444 -1.364 -8.321 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.276 -0.104 -7.859 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.142 -0.903 -9.443 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.847 -1.689 -8.716 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 4.772 -2.048 -10.160 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 0.788 -3.244 -10.518 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 0.655 -4.976 -10.755 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.409 -1.972 -5.828 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.212 -5.064 -3.076 1.00 0.00 H new HETATM 0 HN XTY B 17 1.713 -5.525 -6.719 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.411 -2.443 -9.618 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.432 -4.139 -9.446 1.00 0.00 H new HETATM 0 H3' XTY B 17 2.893 -3.751 -11.661 1.00 0.00 H new HETATM 0 H1' XTY B 17 1.282 -5.478 -8.533 1.00 0.00 H new ATOM 597 P DA B 18 3.727 -6.218 -12.154 1.00 0.00 P ATOM 598 OP1 DA B 18 4.821 -5.317 -12.583 1.00 0.00 O ATOM 599 OP2 DA B 18 2.617 -6.524 -13.084 1.00 0.00 O ATOM 600 O5' DA B 18 4.379 -7.612 -11.676 1.00 0.00 O ATOM 601 C5' DA B 18 5.369 -7.646 -10.640 1.00 0.00 C ATOM 602 C4' DA B 18 5.309 -8.953 -9.852 1.00 0.00 C ATOM 603 O4' DA B 18 4.325 -8.813 -8.822 1.00 0.00 O ATOM 604 C3' DA B 18 4.864 -10.165 -10.662 1.00 0.00 C ATOM 605 O3' DA B 18 5.383 -11.329 -10.013 1.00 0.00 O ATOM 606 C2' DA B 18 3.356 -10.185 -10.487 1.00 0.00 C ATOM 607 C1' DA B 18 3.176 -9.634 -9.076 1.00 0.00 C ATOM 608 N9 DA B 18 1.981 -8.771 -8.974 1.00 0.00 N ATOM 609 C8 DA B 18 1.522 -7.850 -9.881 1.00 0.00 C ATOM 610 N7 DA B 18 0.476 -7.192 -9.478 1.00 0.00 N ATOM 611 C5 DA B 18 0.221 -7.712 -8.219 1.00 0.00 C ATOM 612 C6 DA B 18 -0.762 -7.429 -7.266 1.00 0.00 C ATOM 613 N6 DA B 18 -1.683 -6.484 -7.428 1.00 0.00 N ATOM 614 N1 DA B 18 -0.742 -8.126 -6.120 1.00 0.00 N ATOM 615 C2 DA B 18 0.201 -9.042 -5.940 1.00 0.00 C ATOM 616 N3 DA B 18 1.184 -9.400 -6.757 1.00 0.00 N ATOM 617 C4 DA B 18 1.129 -8.680 -7.897 1.00 0.00 C ATOM 0 H5' DA B 18 5.218 -6.805 -9.964 1.00 0.00 H new ATOM 0 H5'' DA B 18 6.360 -7.529 -11.078 1.00 0.00 H new ATOM 0 H4' DA B 18 6.325 -9.124 -9.498 1.00 0.00 H new ATOM 0 H3' DA B 18 5.184 -10.135 -11.703 1.00 0.00 H new ATOM 0 H2' DA B 18 2.854 -9.566 -11.231 1.00 0.00 H new ATOM 0 H2'' DA B 18 2.950 -11.192 -10.583 1.00 0.00 H new ATOM 0 H1' DA B 18 3.062 -10.458 -8.372 1.00 0.00 H new ATOM 0 H8 DA B 18 1.987 -7.687 -10.842 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.378 -6.319 -6.700 1.00 0.00 H new ATOM 0 H62 DA B 18 -1.695 -5.924 -8.280 1.00 0.00 H new ATOM 0 H2 DA B 18 0.164 -9.569 -4.998 1.00 0.00 H new HETATM 629 P XCS B 19 5.640 -12.685 -10.847 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.997 -13.178 -10.524 1.00 0.00 O HETATM 631 C6 XCS B 19 -0.584 -11.797 -9.531 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.140 -11.488 -7.722 1.00 0.00 C HETATM 633 O2 XCS B 19 -2.602 -11.876 -6.651 1.00 0.00 O HETATM 634 N3 XCS B 19 -2.610 -10.350 -8.325 1.00 0.00 N HETATM 635 C4 XCS B 19 -2.108 -9.916 -9.494 1.00 0.00 C HETATM 636 N4 XCS B 19 -2.622 -8.801 -10.017 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.060 -10.634 -10.149 1.00 0.00 C HETATM 638 OP1 XCS B 19 5.260 -12.446 -12.258 1.00 0.00 O HETATM 639 O5' XCS B 19 4.570 -13.703 -10.208 1.00 0.00 O HETATM 640 C5' XCS B 19 4.307 -13.700 -8.800 1.00 0.00 C HETATM 641 C4' XCS B 19 2.960 -14.342 -8.477 1.00 0.00 C HETATM 642 O4' XCS B 19 1.937 -13.336 -8.549 1.00 0.00 O HETATM 643 C1' XCS B 19 0.895 -13.725 -9.453 1.00 0.00 C HETATM 644 ND XCS B 19 -1.117 -12.222 -8.327 1.00 0.00 N HETATM 645 CP XCS B 19 -0.524 -10.187 -11.375 1.00 0.00 C HETATM 646 CD XCS B 19 0.982 -12.095 -11.363 1.00 0.00 C HETATM 647 C8 XCS B 19 0.451 -12.556 -10.125 1.00 0.00 C HETATM 648 C7 XCS B 19 0.497 -10.923 -11.975 1.00 0.00 C HETATM 649 C7A XCS B 19 1.100 -10.453 -13.297 1.00 0.00 C HETATM 650 C2' XCS B 19 1.577 -14.712 -10.400 1.00 0.00 C HETATM 651 C3' XCS B 19 2.521 -15.433 -9.453 1.00 0.00 C HETATM 652 O3' XCS B 19 1.736 -16.369 -8.711 1.00 0.00 O HETATM 0 HN42 XCS B 19 -2.266 -8.442 -10.903 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -3.371 -8.308 -9.531 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 0.321 -10.413 -14.058 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 1.532 -9.461 -13.168 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 1.878 -11.149 -13.610 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 5.100 -14.237 -8.280 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 4.320 -12.675 -8.429 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 0.865 -15.392 -10.867 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 2.110 -14.207 -11.205 1.00 0.00 H new HETATM 0 HP XCS B 19 -0.902 -9.280 -11.846 1.00 0.00 H new HETATM 0 HND XCS B 19 -0.764 -13.069 -7.882 1.00 0.00 H new HETATM 0 HD XCS B 19 1.779 -12.660 -11.846 1.00 0.00 H new HETATM 0 H4' XCS B 19 3.088 -14.788 -7.491 1.00 0.00 H new HETATM 0 H3' XCS B 19 3.350 -15.933 -9.954 1.00 0.00 H new HETATM 0 H1' XCS B 19 0.023 -14.180 -8.984 1.00 0.00 H new ATOM 668 P DA B 20 2.307 -17.836 -8.372 1.00 0.00 P ATOM 669 OP1 DA B 20 2.474 -18.573 -9.643 1.00 0.00 O ATOM 670 OP2 DA B 20 3.455 -17.685 -7.449 1.00 0.00 O ATOM 671 O5' DA B 20 1.090 -18.506 -7.557 1.00 0.00 O ATOM 672 C5' DA B 20 0.280 -17.719 -6.677 1.00 0.00 C ATOM 673 C4' DA B 20 -1.131 -18.289 -6.542 1.00 0.00 C ATOM 674 O4' DA B 20 -2.051 -17.437 -7.243 1.00 0.00 O ATOM 675 C3' DA B 20 -1.325 -19.687 -7.144 1.00 0.00 C ATOM 676 O3' DA B 20 -2.258 -20.439 -6.363 1.00 0.00 O ATOM 677 C2' DA B 20 -1.908 -19.379 -8.518 1.00 0.00 C ATOM 678 C1' DA B 20 -2.793 -18.186 -8.206 1.00 0.00 C ATOM 679 N9 DA B 20 -3.060 -17.329 -9.377 1.00 0.00 N ATOM 680 C8 DA B 20 -2.213 -16.959 -10.394 1.00 0.00 C ATOM 681 N7 DA B 20 -2.763 -16.160 -11.266 1.00 0.00 N ATOM 682 C5 DA B 20 -4.061 -15.994 -10.794 1.00 0.00 C ATOM 683 C6 DA B 20 -5.160 -15.259 -11.267 1.00 0.00 C ATOM 684 N6 DA B 20 -5.124 -14.517 -12.374 1.00 0.00 N ATOM 685 N1 DA B 20 -6.304 -15.314 -10.558 1.00 0.00 N ATOM 686 C2 DA B 20 -6.344 -16.053 -9.451 1.00 0.00 C ATOM 687 N3 DA B 20 -5.383 -16.783 -8.906 1.00 0.00 N ATOM 688 C4 DA B 20 -4.253 -16.704 -9.644 1.00 0.00 C ATOM 0 H5' DA B 20 0.225 -16.697 -7.051 1.00 0.00 H new ATOM 0 H5'' DA B 20 0.749 -17.674 -5.694 1.00 0.00 H new ATOM 0 H4' DA B 20 -1.305 -18.350 -5.468 1.00 0.00 H new ATOM 0 H3' DA B 20 -0.410 -20.279 -7.181 1.00 0.00 H new ATOM 0 H2' DA B 20 -1.135 -19.138 -9.248 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.476 -20.218 -8.921 1.00 0.00 H new ATOM 0 HO3' DA B 20 -2.374 -21.328 -6.759 1.00 0.00 H new ATOM 0 H1' DA B 20 -3.770 -18.525 -7.862 1.00 0.00 H new ATOM 0 H8 DA B 20 -1.190 -17.297 -10.464 1.00 0.00 H new ATOM 0 H61 DA B 20 -5.954 -14.003 -12.671 1.00 0.00 H new ATOM 0 H62 DA B 20 -4.267 -14.463 -12.924 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.288 -16.058 -8.927 1.00 0.00 H new TER 701 DA B 20