USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 232 hydrogens (48 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -13:sc= 0.734 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -29:sc= 0.454 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot 180:sc= 0 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -15:sc= 0.707 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.124 -2.313 -0.818 1.00 1.00 O ATOM 2 C5' DG A 1 -8.643 -3.543 -1.319 1.00 1.00 C ATOM 3 C4' DG A 1 -8.323 -3.692 -2.788 1.00 1.00 C ATOM 4 O4' DG A 1 -7.097 -2.969 -3.059 1.00 1.00 O ATOM 5 C3' DG A 1 -8.090 -5.127 -3.269 1.00 1.00 C ATOM 6 O3' DG A 1 -8.696 -5.307 -4.553 1.00 1.00 O ATOM 7 C2' DG A 1 -6.578 -5.227 -3.359 1.00 1.00 C ATOM 8 C1' DG A 1 -6.194 -3.816 -3.751 1.00 1.00 C ATOM 9 N9 DG A 1 -4.828 -3.422 -3.410 1.00 1.00 N ATOM 10 C8 DG A 1 -3.884 -2.932 -4.277 1.00 1.00 C ATOM 11 N7 DG A 1 -2.738 -2.674 -3.707 1.00 1.00 N ATOM 12 C5 DG A 1 -2.936 -3.018 -2.378 1.00 1.00 C ATOM 13 C6 DG A 1 -2.039 -2.955 -1.280 1.00 1.00 C ATOM 14 O6 DG A 1 -0.864 -2.556 -1.271 1.00 1.00 O ATOM 15 N1 DG A 1 -2.627 -3.398 -0.099 1.00 1.00 N ATOM 16 C2 DG A 1 -3.928 -3.842 0.000 1.00 1.00 C ATOM 17 N2 DG A 1 -4.342 -4.214 1.221 1.00 1.00 N ATOM 18 N3 DG A 1 -4.775 -3.904 -1.018 1.00 1.00 N ATOM 19 C4 DG A 1 -4.219 -3.481 -2.173 1.00 1.00 C ATOM 0 H5' DG A 1 -9.722 -3.577 -1.170 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.218 -4.378 -0.762 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.200 -3.314 -3.313 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.518 -5.886 -2.615 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.131 -5.523 -2.410 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.261 -5.958 -4.103 1.00 1.00 H new ATOM 0 HO5' DG A 1 -7.497 -1.933 -1.469 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.243 -3.744 -4.837 1.00 1.00 H new ATOM 0 H8 DG A 1 -4.071 -2.775 -5.329 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.059 -3.394 0.748 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.295 -4.551 1.356 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.703 -4.159 2.015 1.00 1.00 H new ATOM 32 P DG A 2 -8.786 -6.768 -5.215 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.970 -6.778 -6.106 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.668 -7.790 -4.147 1.00 1.00 O ATOM 35 O5' DG A 2 -7.487 -6.855 -6.127 1.00 1.00 O ATOM 36 C5' DG A 2 -7.187 -5.833 -7.075 1.00 1.00 C ATOM 37 C4' DG A 2 -5.787 -6.027 -7.609 1.00 1.00 C ATOM 38 O4' DG A 2 -4.822 -5.625 -6.603 1.00 1.00 O ATOM 39 C3' DG A 2 -5.436 -7.475 -7.962 1.00 1.00 C ATOM 40 O3' DG A 2 -4.676 -7.509 -9.176 1.00 1.00 O ATOM 41 C2' DG A 2 -4.587 -7.917 -6.783 1.00 1.00 C ATOM 42 C1' DG A 2 -3.836 -6.637 -6.495 1.00 1.00 C ATOM 43 N9 DG A 2 -3.201 -6.556 -5.182 1.00 1.00 N ATOM 44 C8 DG A 2 -3.687 -7.010 -3.978 1.00 1.00 C ATOM 45 N7 DG A 2 -2.867 -6.813 -2.981 1.00 1.00 N ATOM 46 C5 DG A 2 -1.769 -6.190 -3.560 1.00 1.00 C ATOM 47 C6 DG A 2 -0.556 -5.730 -2.980 1.00 1.00 C ATOM 48 O6 DG A 2 -0.211 -5.773 -1.791 1.00 1.00 O ATOM 49 N1 DG A 2 0.293 -5.157 -3.924 1.00 1.00 N ATOM 50 C2 DG A 2 -0.005 -5.043 -5.264 1.00 1.00 C ATOM 51 N2 DG A 2 0.918 -4.461 -6.041 1.00 1.00 N ATOM 52 N3 DG A 2 -1.129 -5.465 -5.816 1.00 1.00 N ATOM 53 C4 DG A 2 -1.961 -6.025 -4.914 1.00 1.00 C ATOM 0 H5' DG A 2 -7.275 -4.853 -6.607 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.906 -5.861 -7.894 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.751 -5.426 -8.517 1.00 1.00 H new ATOM 0 H3' DG A 2 -6.305 -8.112 -8.123 1.00 1.00 H new ATOM 0 H2' DG A 2 -5.190 -8.244 -5.936 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.921 -8.741 -7.037 1.00 1.00 H new ATOM 0 H1' DG A 2 -3.001 -6.552 -7.191 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.652 -7.483 -3.868 1.00 1.00 H new ATOM 0 H1 DG A 2 1.192 -4.799 -3.603 1.00 1.00 H new ATOM 0 H21 DG A 2 0.748 -4.352 -7.041 1.00 1.00 H new ATOM 0 H22 DG A 2 1.791 -4.127 -5.633 1.00 1.00 H new HETATM 65 P AZW A 3 -4.619 -8.844 -10.070 1.00 1.00 P HETATM 66 OP1 AZW A 3 -4.833 -8.462 -11.487 1.00 1.00 O HETATM 67 OP2 AZW A 3 -5.508 -9.855 -9.447 1.00 1.00 O HETATM 68 O5' AZW A 3 -3.119 -9.348 -9.905 1.00 1.00 O HETATM 69 C5' AZW A 3 -2.054 -8.718 -10.611 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.814 -8.668 -9.743 1.00 1.00 C HETATM 71 C2A AZW A 3 0.415 -8.322 -10.316 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.887 -8.965 -8.369 1.00 1.00 C HETATM 73 C3A AZW A 3 1.569 -8.275 -9.526 1.00 1.00 C HETATM 74 C5A AZW A 3 0.268 -8.914 -7.581 1.00 1.00 C HETATM 75 C4A AZW A 3 1.497 -8.569 -8.159 1.00 1.00 C HETATM 76 N5A AZW A 3 2.663 -8.520 -7.365 1.00 1.00 N HETATM 77 C1B AZW A 3 6.750 -7.259 -4.689 1.00 1.00 C HETATM 78 C2B AZW A 3 6.845 -7.440 -6.081 1.00 1.00 C HETATM 79 C6B AZW A 3 5.489 -7.137 -4.090 1.00 1.00 C HETATM 80 C3B AZW A 3 5.683 -7.493 -6.860 1.00 1.00 C HETATM 81 C5B AZW A 3 4.330 -7.189 -4.874 1.00 1.00 C HETATM 82 C4B AZW A 3 4.427 -7.366 -6.259 1.00 1.00 C HETATM 83 N5B AZW A 3 3.259 -7.410 -7.049 1.00 1.00 N HETATM 84 C3' AZW A 3 7.999 -7.181 -3.830 1.00 1.00 C HETATM 85 O3' AZW A 3 9.131 -7.714 -4.512 1.00 1.00 O ATOM 98 P DG A 4 10.181 -6.724 -5.217 1.00 1.00 P ATOM 99 OP1 DG A 4 10.843 -7.470 -6.314 1.00 1.00 O ATOM 100 OP2 DG A 4 11.013 -6.118 -4.148 1.00 1.00 O ATOM 101 O5' DG A 4 9.271 -5.588 -5.861 1.00 1.00 O ATOM 102 C5' DG A 4 9.663 -4.216 -5.850 1.00 1.00 C ATOM 103 C4' DG A 4 8.948 -3.468 -6.953 1.00 1.00 C ATOM 104 O4' DG A 4 7.547 -3.838 -6.953 1.00 1.00 O ATOM 105 C3' DG A 4 8.966 -1.944 -6.833 1.00 1.00 C ATOM 106 O3' DG A 4 8.941 -1.359 -8.140 1.00 1.00 O ATOM 107 C2' DG A 4 7.678 -1.660 -6.082 1.00 1.00 C ATOM 108 C1' DG A 4 6.747 -2.693 -6.690 1.00 1.00 C ATOM 109 N9 DG A 4 5.618 -3.111 -5.860 1.00 1.00 N ATOM 110 C8 DG A 4 4.326 -3.283 -6.291 1.00 1.00 C ATOM 111 N7 DG A 4 3.518 -3.689 -5.352 1.00 1.00 N ATOM 112 C5 DG A 4 4.323 -3.792 -4.229 1.00 1.00 C ATOM 113 C6 DG A 4 3.992 -4.187 -2.911 1.00 1.00 C ATOM 114 O6 DG A 4 2.888 -4.546 -2.480 1.00 1.00 O ATOM 115 N1 DG A 4 5.092 -4.154 -2.061 1.00 1.00 N ATOM 116 C2 DG A 4 6.360 -3.784 -2.449 1.00 1.00 C ATOM 117 N2 DG A 4 7.310 -3.807 -1.500 1.00 1.00 N ATOM 118 N3 DG A 4 6.682 -3.413 -3.680 1.00 1.00 N ATOM 119 C4 DG A 4 5.623 -3.438 -4.518 1.00 1.00 C ATOM 0 H5' DG A 4 10.742 -4.136 -5.984 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.428 -3.769 -4.884 1.00 1.00 H new ATOM 0 H4' DG A 4 9.488 -3.745 -7.858 1.00 1.00 H new ATOM 0 H3' DG A 4 9.848 -1.541 -6.335 1.00 1.00 H new ATOM 0 H2' DG A 4 7.792 -1.792 -5.006 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.324 -0.642 -6.243 1.00 1.00 H new ATOM 0 H1' DG A 4 6.294 -2.232 -7.568 1.00 1.00 H new ATOM 0 H8 DG A 4 4.010 -3.100 -7.307 1.00 1.00 H new ATOM 0 H1 DG A 4 4.950 -4.421 -1.087 1.00 1.00 H new ATOM 0 H21 DG A 4 8.268 -3.543 -1.731 1.00 1.00 H new ATOM 0 H22 DG A 4 7.074 -4.089 -0.549 1.00 1.00 H new ATOM 131 P DG A 5 8.924 0.237 -8.334 1.00 1.00 P ATOM 132 OP1 DG A 5 9.465 0.540 -9.679 1.00 1.00 O ATOM 133 OP2 DG A 5 9.554 0.851 -7.140 1.00 1.00 O ATOM 134 O5' DG A 5 7.378 0.612 -8.322 1.00 1.00 O ATOM 135 C5' DG A 5 6.549 0.345 -9.450 1.00 1.00 C ATOM 136 C4' DG A 5 5.125 0.762 -9.158 1.00 1.00 C ATOM 137 O4' DG A 5 4.576 -0.076 -8.121 1.00 1.00 O ATOM 138 C3' DG A 5 4.961 2.177 -8.611 1.00 1.00 C ATOM 139 O3' DG A 5 4.806 3.120 -9.679 1.00 1.00 O ATOM 140 C2' DG A 5 3.695 2.098 -7.768 1.00 1.00 C ATOM 141 C1' DG A 5 3.474 0.602 -7.540 1.00 1.00 C ATOM 142 N9 DG A 5 3.381 0.211 -6.136 1.00 1.00 N ATOM 143 C8 DG A 5 4.341 0.352 -5.163 1.00 1.00 C ATOM 144 N7 DG A 5 3.955 -0.075 -3.990 1.00 1.00 N ATOM 145 C5 DG A 5 2.659 -0.529 -4.200 1.00 1.00 C ATOM 146 C6 DG A 5 1.725 -1.105 -3.295 1.00 1.00 C ATOM 147 O6 DG A 5 1.861 -1.328 -2.081 1.00 1.00 O ATOM 148 N1 DG A 5 0.523 -1.425 -3.920 1.00 1.00 N ATOM 149 C2 DG A 5 0.262 -1.211 -5.255 1.00 1.00 C ATOM 150 N2 DG A 5 -0.949 -1.579 -5.693 1.00 1.00 N ATOM 151 N3 DG A 5 1.120 -0.675 -6.106 1.00 1.00 N ATOM 152 C4 DG A 5 2.292 -0.359 -5.518 1.00 1.00 C ATOM 0 H5' DG A 5 6.583 -0.717 -9.693 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.922 0.883 -10.321 1.00 1.00 H new ATOM 0 H4' DG A 5 4.629 0.685 -10.126 1.00 1.00 H new ATOM 0 H3' DG A 5 5.826 2.511 -8.039 1.00 1.00 H new ATOM 0 H2' DG A 5 3.814 2.629 -6.824 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.847 2.550 -8.283 1.00 1.00 H new ATOM 0 HO3' DG A 5 4.701 4.021 -9.307 1.00 1.00 H new ATOM 0 H1' DG A 5 2.516 0.342 -7.990 1.00 1.00 H new ATOM 0 H8 DG A 5 5.318 0.774 -5.349 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.212 -1.845 -3.352 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.199 -1.445 -6.673 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.621 -1.993 -5.047 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.745 2.910 1.489 1.00 1.00 O ATOM 167 C5' DG B 1 8.973 2.182 1.570 1.00 1.00 C ATOM 168 C4' DG B 1 8.986 1.302 2.797 1.00 1.00 C ATOM 169 O4' DG B 1 7.615 1.002 3.148 1.00 1.00 O ATOM 170 C3' DG B 1 9.702 -0.042 2.633 1.00 1.00 C ATOM 171 O3' DG B 1 10.596 -0.260 3.730 1.00 1.00 O ATOM 172 C2' DG B 1 8.582 -1.069 2.639 1.00 1.00 C ATOM 173 C1' DG B 1 7.489 -0.381 3.431 1.00 1.00 C ATOM 174 N9 DG B 1 6.136 -0.805 3.084 1.00 1.00 N ATOM 175 C8 DG B 1 5.203 -1.340 3.937 1.00 1.00 C ATOM 176 N7 DG B 1 4.077 -1.640 3.349 1.00 1.00 N ATOM 177 C5 DG B 1 4.280 -1.283 2.024 1.00 1.00 C ATOM 178 C6 DG B 1 3.407 -1.376 0.911 1.00 1.00 C ATOM 179 O6 DG B 1 2.239 -1.789 0.887 1.00 1.00 O ATOM 180 N1 DG B 1 3.998 -0.910 -0.261 1.00 1.00 N ATOM 181 C2 DG B 1 5.279 -0.409 -0.336 1.00 1.00 C ATOM 182 N2 DG B 1 5.692 0.001 -1.546 1.00 1.00 N ATOM 183 N3 DG B 1 6.102 -0.313 0.697 1.00 1.00 N ATOM 184 C4 DG B 1 5.544 -0.766 1.841 1.00 1.00 C ATOM 0 H5' DG B 1 9.813 2.876 1.604 1.00 1.00 H new ATOM 0 H5'' DG B 1 9.100 1.572 0.676 1.00 1.00 H new ATOM 0 H4' DG B 1 9.533 1.864 3.554 1.00 1.00 H new ATOM 0 H3' DG B 1 10.303 -0.093 1.725 1.00 1.00 H new ATOM 0 H2' DG B 1 8.254 -1.314 1.629 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.893 -2.002 3.108 1.00 1.00 H new ATOM 0 HO5' DG B 1 7.031 2.396 1.920 1.00 1.00 H new ATOM 0 H1' DG B 1 7.617 -0.634 4.483 1.00 1.00 H new ATOM 0 H8 DG B 1 5.383 -1.497 4.990 1.00 1.00 H new ATOM 0 H1 DG B 1 3.447 -0.942 -1.119 1.00 1.00 H new ATOM 0 H21 DG B 1 6.631 0.381 -1.662 1.00 1.00 H new ATOM 0 H22 DG B 1 5.066 -0.068 -2.349 1.00 1.00 H new ATOM 197 P DG B 2 11.631 -1.489 3.702 1.00 1.00 P ATOM 198 OP1 DG B 2 12.808 -1.097 4.515 1.00 1.00 O ATOM 199 OP2 DG B 2 11.818 -1.918 2.295 1.00 1.00 O ATOM 200 O5' DG B 2 10.868 -2.646 4.479 1.00 1.00 O ATOM 201 C5' DG B 2 10.267 -2.399 5.749 1.00 1.00 C ATOM 202 C4' DG B 2 9.329 -3.525 6.110 1.00 1.00 C ATOM 203 O4' DG B 2 8.156 -3.467 5.258 1.00 1.00 O ATOM 204 C3' DG B 2 9.911 -4.927 5.915 1.00 1.00 C ATOM 205 O3' DG B 2 9.470 -5.795 6.964 1.00 1.00 O ATOM 206 C2' DG B 2 9.306 -5.355 4.591 1.00 1.00 C ATOM 207 C1' DG B 2 7.924 -4.761 4.731 1.00 1.00 C ATOM 208 N9 DG B 2 7.161 -4.650 3.493 1.00 1.00 N ATOM 209 C8 DG B 2 7.613 -4.247 2.260 1.00 1.00 C ATOM 210 N7 DG B 2 6.691 -4.277 1.336 1.00 1.00 N ATOM 211 C5 DG B 2 5.559 -4.729 2.000 1.00 1.00 C ATOM 212 C6 DG B 2 4.245 -4.964 1.520 1.00 1.00 C ATOM 213 O6 DG B 2 3.804 -4.789 0.375 1.00 1.00 O ATOM 214 N1 DG B 2 3.395 -5.423 2.524 1.00 1.00 N ATOM 215 C2 DG B 2 3.779 -5.622 3.832 1.00 1.00 C ATOM 216 N2 DG B 2 2.833 -6.055 4.675 1.00 1.00 N ATOM 217 N3 DG B 2 4.998 -5.404 4.293 1.00 1.00 N ATOM 218 C4 DG B 2 5.832 -4.962 3.329 1.00 1.00 C ATOM 0 H5' DG B 2 9.722 -1.456 5.724 1.00 1.00 H new ATOM 0 H5'' DG B 2 11.039 -2.301 6.512 1.00 1.00 H new ATOM 0 H4' DG B 2 9.114 -3.381 7.169 1.00 1.00 H new ATOM 0 H3' DG B 2 11.001 -4.955 5.927 1.00 1.00 H new ATOM 0 H2' DG B 2 9.848 -4.952 3.735 1.00 1.00 H new ATOM 0 H2'' DG B 2 9.284 -6.438 4.473 1.00 1.00 H new ATOM 0 H1' DG B 2 7.315 -5.415 5.355 1.00 1.00 H new ATOM 0 H8 DG B 2 8.630 -3.936 2.073 1.00 1.00 H new ATOM 0 H1 DG B 2 2.427 -5.625 2.275 1.00 1.00 H new ATOM 0 H21 DG B 2 3.060 -6.220 5.656 1.00 1.00 H new ATOM 0 H22 DG B 2 1.885 -6.220 4.336 1.00 1.00 H new HETATM 230 P AZW B 3 10.358 -7.052 7.415 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.866 -6.787 8.780 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.318 -7.351 6.324 1.00 1.00 O HETATM 233 O5' AZW B 3 9.316 -8.252 7.495 1.00 1.00 O HETATM 234 C5' AZW B 3 8.011 -8.073 8.046 1.00 1.00 C HETATM 235 C1A AZW B 3 6.966 -8.522 7.045 1.00 1.00 C HETATM 236 C2A AZW B 3 5.669 -8.823 7.487 1.00 1.00 C HETATM 237 C6A AZW B 3 7.288 -8.651 5.684 1.00 1.00 C HETATM 238 C3A AZW B 3 4.701 -9.253 6.574 1.00 1.00 C HETATM 239 C5A AZW B 3 6.317 -9.083 4.771 1.00 1.00 C HETATM 240 C4A AZW B 3 5.024 -9.385 5.215 1.00 1.00 C HETATM 241 N5A AZW B 3 4.051 -9.843 4.302 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.158 -10.785 1.658 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.097 -11.297 2.965 1.00 1.00 C HETATM 244 C6B AZW B 3 0.784 -9.834 1.237 1.00 1.00 C HETATM 245 C3B AZW B 3 0.897 -10.853 3.846 1.00 1.00 C HETATM 246 C5B AZW B 3 1.781 -9.393 2.120 1.00 1.00 C HETATM 247 C4B AZW B 3 1.833 -9.902 3.426 1.00 1.00 C HETATM 248 N5B AZW B 3 2.816 -9.444 4.328 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.249 -11.232 0.707 1.00 1.00 C HETATM 250 O3' AZW B 3 -1.814 -12.473 1.117 1.00 1.00 O ATOM 263 P DG B 4 -3.277 -12.496 1.778 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.490 -13.830 2.388 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.230 -12.003 0.760 1.00 1.00 O ATOM 266 O5' DG B 4 -3.187 -11.419 2.943 1.00 1.00 O ATOM 267 C5' DG B 4 -4.351 -10.985 3.640 1.00 1.00 C ATOM 268 C4' DG B 4 -3.963 -10.492 5.015 1.00 1.00 C ATOM 269 O4' DG B 4 -2.615 -9.963 4.958 1.00 1.00 O ATOM 270 C3' DG B 4 -4.825 -9.358 5.573 1.00 1.00 C ATOM 271 O3' DG B 4 -4.879 -9.444 7.004 1.00 1.00 O ATOM 272 C2' DG B 4 -4.060 -8.124 5.133 1.00 1.00 C ATOM 273 C1' DG B 4 -2.628 -8.589 5.317 1.00 1.00 C ATOM 274 N9 DG B 4 -1.625 -7.895 4.514 1.00 1.00 N ATOM 275 C8 DG B 4 -0.428 -7.407 4.974 1.00 1.00 C ATOM 276 N7 DG B 4 0.294 -6.844 4.045 1.00 1.00 N ATOM 277 C5 DG B 4 -0.473 -6.967 2.897 1.00 1.00 C ATOM 278 C6 DG B 4 -0.198 -6.540 1.576 1.00 1.00 C ATOM 279 O6 DG B 4 0.812 -5.958 1.159 1.00 1.00 O ATOM 280 N1 DG B 4 -1.231 -6.852 0.699 1.00 1.00 N ATOM 281 C2 DG B 4 -2.388 -7.499 1.065 1.00 1.00 C ATOM 282 N2 DG B 4 -3.290 -7.707 0.092 1.00 1.00 N ATOM 283 N3 DG B 4 -2.656 -7.907 2.297 1.00 1.00 N ATOM 284 C4 DG B 4 -1.662 -7.611 3.162 1.00 1.00 C ATOM 0 H5' DG B 4 -5.064 -11.805 3.724 1.00 1.00 H new ATOM 0 H5'' DG B 4 -4.845 -10.189 3.083 1.00 1.00 H new ATOM 0 H4' DG B 4 -4.085 -11.359 5.664 1.00 1.00 H new ATOM 0 H3' DG B 4 -5.859 -9.370 5.229 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.276 -7.852 4.100 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.293 -7.254 5.747 1.00 1.00 H new ATOM 0 H1' DG B 4 -2.351 -8.381 6.350 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.114 -7.482 6.005 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.124 -6.584 -0.279 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.168 -8.182 0.303 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.097 -7.390 -0.858 1.00 1.00 H new ATOM 296 P DG B 5 -5.884 -8.513 7.842 1.00 1.00 P ATOM 297 OP1 DG B 5 -6.089 -9.175 9.153 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.061 -8.199 7.000 1.00 1.00 O ATOM 299 O5' DG B 5 -5.064 -7.173 8.093 1.00 1.00 O ATOM 300 C5' DG B 5 -3.832 -7.199 8.814 1.00 1.00 C ATOM 301 C4' DG B 5 -3.104 -5.881 8.699 1.00 1.00 C ATOM 302 O4' DG B 5 -2.539 -5.752 7.376 1.00 1.00 O ATOM 303 C3' DG B 5 -3.966 -4.628 8.894 1.00 1.00 C ATOM 304 O3' DG B 5 -3.612 -3.950 10.108 1.00 1.00 O ATOM 305 C2' DG B 5 -3.656 -3.753 7.688 1.00 1.00 C ATOM 306 C1' DG B 5 -2.386 -4.371 7.133 1.00 1.00 C ATOM 307 N9 DG B 5 -2.163 -4.153 5.707 1.00 1.00 N ATOM 308 C8 DG B 5 -3.078 -4.281 4.690 1.00 1.00 C ATOM 309 N7 DG B 5 -2.600 -3.947 3.521 1.00 1.00 N ATOM 310 C5 DG B 5 -1.287 -3.579 3.780 1.00 1.00 C ATOM 311 C6 DG B 5 -0.269 -3.121 2.900 1.00 1.00 C ATOM 312 O6 DG B 5 -0.339 -2.935 1.675 1.00 1.00 O ATOM 313 N1 DG B 5 0.923 -2.858 3.570 1.00 1.00 N ATOM 314 C2 DG B 5 1.103 -3.020 4.926 1.00 1.00 C ATOM 315 N2 DG B 5 2.319 -2.725 5.405 1.00 1.00 N ATOM 316 N3 DG B 5 0.163 -3.445 5.756 1.00 1.00 N ATOM 317 C4 DG B 5 -1.000 -3.703 5.122 1.00 1.00 C ATOM 0 H5' DG B 5 -3.201 -8.001 8.431 1.00 1.00 H new ATOM 0 H5'' DG B 5 -4.026 -7.420 9.864 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.368 -5.919 9.502 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.026 -4.869 8.971 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.465 -3.771 6.958 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.507 -2.712 7.973 1.00 1.00 H new ATOM 0 HO3' DG B 5 -4.172 -3.153 10.213 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.522 -3.910 7.612 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.091 -4.623 4.842 1.00 1.00 H new ATOM 0 H1 DG B 5 1.715 -2.523 3.021 1.00 1.00 H new ATOM 0 H21 DG B 5 2.513 -2.825 6.401 1.00 1.00 H new ATOM 0 H22 DG B 5 3.051 -2.400 4.773 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 8.992 3.980 -3.472 1.00 1.00 O ATOM 332 C5' DG C 1 7.586 4.071 -3.205 1.00 1.00 C ATOM 333 C4' DG C 1 6.808 4.474 -4.436 1.00 1.00 C ATOM 334 O4' DG C 1 5.624 3.646 -4.532 1.00 1.00 O ATOM 335 C3' DG C 1 6.325 5.927 -4.450 1.00 1.00 C ATOM 336 O3' DG C 1 6.541 6.509 -5.739 1.00 1.00 O ATOM 337 C2' DG C 1 4.841 5.819 -4.150 1.00 1.00 C ATOM 338 C1' DG C 1 4.480 4.462 -4.720 1.00 1.00 C ATOM 339 N9 DG C 1 3.331 3.821 -4.083 1.00 1.00 N ATOM 340 C8 DG C 1 2.150 3.467 -4.691 1.00 1.00 C ATOM 341 N7 DG C 1 1.276 2.955 -3.869 1.00 1.00 N ATOM 342 C5 DG C 1 1.917 2.971 -2.639 1.00 1.00 C ATOM 343 C6 DG C 1 1.458 2.540 -1.370 1.00 1.00 C ATOM 344 O6 DG C 1 0.362 2.034 -1.084 1.00 1.00 O ATOM 345 N1 DG C 1 2.415 2.731 -0.376 1.00 1.00 N ATOM 346 C2 DG C 1 3.665 3.269 -0.595 1.00 1.00 C ATOM 347 N2 DG C 1 4.469 3.386 0.473 1.00 1.00 N ATOM 348 N3 DG C 1 4.104 3.673 -1.777 1.00 1.00 N ATOM 349 C4 DG C 1 3.185 3.498 -2.751 1.00 1.00 C ATOM 0 H5' DG C 1 7.413 4.797 -2.411 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.221 3.110 -2.843 1.00 1.00 H new ATOM 0 H4' DG C 1 7.503 4.350 -5.267 1.00 1.00 H new ATOM 0 H3' DG C 1 6.852 6.559 -3.735 1.00 1.00 H new ATOM 0 H2' DG C 1 4.640 5.875 -3.080 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.273 6.620 -4.623 1.00 1.00 H new ATOM 0 HO5' DG C 1 9.464 3.719 -2.654 1.00 1.00 H new ATOM 0 H1' DG C 1 4.194 4.593 -5.764 1.00 1.00 H new ATOM 0 H8 DG C 1 1.964 3.600 -5.747 1.00 1.00 H new ATOM 0 H1 DG C 1 2.175 2.455 0.576 1.00 1.00 H new ATOM 0 H21 DG C 1 5.405 3.778 0.366 1.00 1.00 H new ATOM 0 H22 DG C 1 4.144 3.083 1.391 1.00 1.00 H new ATOM 362 P DG C 2 6.399 8.096 -5.946 1.00 1.00 P ATOM 363 OP1 DG C 2 7.409 8.516 -6.944 1.00 1.00 O ATOM 364 OP2 DG C 2 6.390 8.732 -4.605 1.00 1.00 O ATOM 365 O5' DG C 2 4.953 8.281 -6.583 1.00 1.00 O ATOM 366 C5' DG C 2 4.486 7.406 -7.609 1.00 1.00 C ATOM 367 C4' DG C 2 2.978 7.457 -7.690 1.00 1.00 C ATOM 368 O4' DG C 2 2.414 6.713 -6.580 1.00 1.00 O ATOM 369 C3' DG C 2 2.370 8.860 -7.603 1.00 1.00 C ATOM 370 O3' DG C 2 1.304 8.983 -8.553 1.00 1.00 O ATOM 371 C2' DG C 2 1.833 8.906 -6.182 1.00 1.00 C ATOM 372 C1' DG C 2 1.361 7.480 -6.026 1.00 1.00 C ATOM 373 N9 DG C 2 1.116 7.052 -4.651 1.00 1.00 N ATOM 374 C8 DG C 2 1.917 7.250 -3.553 1.00 1.00 C ATOM 375 N7 DG C 2 1.413 6.762 -2.451 1.00 1.00 N ATOM 376 C5 DG C 2 0.202 6.211 -2.846 1.00 1.00 C ATOM 377 C6 DG C 2 -0.793 5.543 -2.087 1.00 1.00 C ATOM 378 O6 DG C 2 -0.789 5.289 -0.873 1.00 1.00 O ATOM 379 N1 DG C 2 -1.872 5.144 -2.872 1.00 1.00 N ATOM 380 C2 DG C 2 -1.966 5.366 -4.230 1.00 1.00 C ATOM 381 N2 DG C 2 -3.064 4.900 -4.842 1.00 1.00 N ATOM 382 N3 DG C 2 -1.045 5.988 -4.947 1.00 1.00 N ATOM 383 C4 DG C 2 0.004 6.382 -4.198 1.00 1.00 C ATOM 0 H5' DG C 2 4.812 6.386 -7.404 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.919 7.693 -8.567 1.00 1.00 H new ATOM 0 H4' DG C 2 2.741 7.044 -8.670 1.00 1.00 H new ATOM 0 H3' DG C 2 3.074 9.664 -7.819 1.00 1.00 H new ATOM 0 H2' DG C 2 2.601 9.171 -5.456 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.023 9.627 -6.067 1.00 1.00 H new ATOM 0 H1' DG C 2 0.393 7.361 -6.513 1.00 1.00 H new ATOM 0 H8 DG C 2 2.869 7.759 -3.596 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.642 4.657 -2.413 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.185 5.036 -5.846 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.778 4.409 -4.304 1.00 1.00 H new HETATM 395 P AZW C 3 0.624 10.405 -8.861 1.00 1.00 P HETATM 396 OP1 AZW C 3 0.547 10.567 -10.333 1.00 1.00 O HETATM 397 OP2 AZW C 3 1.319 11.434 -8.051 1.00 1.00 O HETATM 398 O5' AZW C 3 -0.859 10.255 -8.303 1.00 1.00 O HETATM 399 C5' AZW C 3 -1.707 9.202 -8.757 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.603 8.739 -7.628 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.803 8.072 -7.916 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.240 8.977 -6.293 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.637 7.646 -6.874 1.00 1.00 C HETATM 404 C5A AZW C 3 -3.075 8.550 -5.252 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.273 7.885 -5.542 1.00 1.00 C HETATM 406 N5A AZW C 3 -5.109 7.443 -4.496 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.876 6.860 -0.322 1.00 1.00 C HETATM 408 C2B AZW C 3 -8.402 7.073 -1.606 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.512 7.072 -0.083 1.00 1.00 C HETATM 410 C3B AZW C 3 -7.569 7.501 -2.643 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.676 7.499 -1.123 1.00 1.00 C HETATM 412 C4B AZW C 3 -6.205 7.716 -2.402 1.00 1.00 C HETATM 413 N5B AZW C 3 -5.368 8.159 -3.445 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.776 6.405 0.805 1.00 1.00 C HETATM 415 O3' AZW C 3 -10.089 6.942 0.660 1.00 1.00 O ATOM 428 P DG C 4 -11.311 5.972 0.283 1.00 1.00 P ATOM 429 OP1 DG C 4 -12.315 6.784 -0.445 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.717 5.232 1.501 1.00 1.00 O ATOM 431 O5' DG C 4 -10.671 4.947 -0.753 1.00 1.00 O ATOM 432 C5' DG C 4 -11.435 3.893 -1.334 1.00 1.00 C ATOM 433 C4' DG C 4 -11.114 3.789 -2.807 1.00 1.00 C ATOM 434 O4' DG C 4 -9.813 4.385 -3.045 1.00 1.00 O ATOM 435 C3' DG C 4 -11.020 2.367 -3.364 1.00 1.00 C ATOM 436 O3' DG C 4 -11.441 2.356 -4.735 1.00 1.00 O ATOM 437 C2' DG C 4 -9.535 2.075 -3.249 1.00 1.00 C ATOM 438 C1' DG C 4 -8.957 3.420 -3.640 1.00 1.00 C ATOM 439 N9 DG C 4 -7.587 3.667 -3.198 1.00 1.00 N ATOM 440 C8 DG C 4 -6.541 4.060 -3.995 1.00 1.00 C ATOM 441 N7 DG C 4 -5.420 4.204 -3.344 1.00 1.00 N ATOM 442 C5 DG C 4 -5.746 3.886 -2.035 1.00 1.00 C ATOM 443 C6 DG C 4 -4.931 3.865 -0.877 1.00 1.00 C ATOM 444 O6 DG C 4 -3.725 4.128 -0.788 1.00 1.00 O ATOM 445 N1 DG C 4 -5.642 3.490 0.258 1.00 1.00 N ATOM 446 C2 DG C 4 -6.981 3.172 0.264 1.00 1.00 C ATOM 447 N2 DG C 4 -7.510 2.834 1.450 1.00 1.00 N ATOM 448 N3 DG C 4 -7.753 3.186 -0.812 1.00 1.00 N ATOM 449 C4 DG C 4 -7.078 3.551 -1.922 1.00 1.00 C ATOM 0 H5' DG C 4 -12.499 4.082 -1.196 1.00 1.00 H new ATOM 0 H5'' DG C 4 -11.212 2.950 -0.835 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.945 4.290 -3.304 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.644 1.637 -2.848 1.00 1.00 H new ATOM 0 H2' DG C 4 -9.248 1.778 -2.240 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.217 1.276 -3.919 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.906 3.464 -4.728 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.637 4.233 -5.057 1.00 1.00 H new ATOM 0 H1 DG C 4 -5.138 3.448 1.144 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.498 2.588 1.516 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.924 2.823 2.285 1.00 1.00 H new ATOM 461 P DG C 5 -11.680 0.972 -5.516 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.446 1.266 -6.750 1.00 1.00 O ATOM 463 OP2 DG C 5 -12.224 -0.005 -4.546 1.00 1.00 O ATOM 464 O5' DG C 5 -10.221 0.506 -5.945 1.00 1.00 O ATOM 465 C5' DG C 5 -9.485 1.249 -6.917 1.00 1.00 C ATOM 466 C4' DG C 5 -8.085 0.701 -7.079 1.00 1.00 C ATOM 467 O4' DG C 5 -7.210 1.235 -6.066 1.00 1.00 O ATOM 468 C3' DG C 5 -7.919 -0.804 -6.894 1.00 1.00 C ATOM 469 O3' DG C 5 -8.283 -1.510 -8.083 1.00 1.00 O ATOM 470 C2' DG C 5 -6.432 -0.937 -6.609 1.00 1.00 C ATOM 471 C1' DG C 5 -6.030 0.445 -6.084 1.00 1.00 C ATOM 472 N9 DG C 5 -5.445 0.437 -4.747 1.00 1.00 N ATOM 473 C8 DG C 5 -6.019 -0.003 -3.576 1.00 1.00 C ATOM 474 N7 DG C 5 -5.229 0.104 -2.542 1.00 1.00 N ATOM 475 C5 DG C 5 -4.059 0.647 -3.058 1.00 1.00 C ATOM 476 C6 DG C 5 -2.839 0.991 -2.413 1.00 1.00 C ATOM 477 O6 DG C 5 -2.537 0.871 -1.213 1.00 1.00 O ATOM 478 N1 DG C 5 -1.908 1.517 -3.305 1.00 1.00 N ATOM 479 C2 DG C 5 -2.134 1.686 -4.652 1.00 1.00 C ATOM 480 N2 DG C 5 -1.129 2.219 -5.360 1.00 1.00 N ATOM 481 N3 DG C 5 -3.262 1.368 -5.265 1.00 1.00 N ATOM 482 C4 DG C 5 -4.178 0.859 -4.415 1.00 1.00 C ATOM 0 H5' DG C 5 -9.436 2.296 -6.618 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.005 1.215 -7.875 1.00 1.00 H new ATOM 0 H4' DG C 5 -7.853 0.981 -8.107 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.550 -1.220 -6.109 1.00 1.00 H new ATOM 0 H2' DG C 5 -6.235 -1.716 -5.873 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.875 -1.200 -7.508 1.00 1.00 H new ATOM 0 HO3' DG C 5 -8.167 -2.473 -7.940 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.254 0.839 -6.741 1.00 1.00 H new ATOM 0 H8 DG C 5 -7.023 -0.397 -3.518 1.00 1.00 H new ATOM 0 H1 DG C 5 -0.999 1.795 -2.936 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.236 2.369 -6.363 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.257 2.474 -4.896 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -6.650 -3.942 2.974 1.00 1.00 O ATOM 497 C5' DG D 1 -7.817 -3.694 3.755 1.00 1.00 C ATOM 498 C4' DG D 1 -7.442 -3.238 5.145 1.00 1.00 C ATOM 499 O4' DG D 1 -6.046 -2.854 5.136 1.00 1.00 O ATOM 500 C3' DG D 1 -8.213 -2.018 5.649 1.00 1.00 C ATOM 501 O3' DG D 1 -8.437 -2.126 7.061 1.00 1.00 O ATOM 502 C2' DG D 1 -7.271 -0.870 5.332 1.00 1.00 C ATOM 503 C1' DG D 1 -5.921 -1.512 5.580 1.00 1.00 C ATOM 504 N9 DG D 1 -4.794 -0.907 4.876 1.00 1.00 N ATOM 505 C8 DG D 1 -3.619 -0.483 5.444 1.00 1.00 C ATOM 506 N7 DG D 1 -2.765 -0.011 4.576 1.00 1.00 N ATOM 507 C5 DG D 1 -3.419 -0.126 3.358 1.00 1.00 C ATOM 508 C6 DG D 1 -2.986 0.231 2.058 1.00 1.00 C ATOM 509 O6 DG D 1 -1.894 0.711 1.718 1.00 1.00 O ATOM 510 N1 DG D 1 -3.950 -0.042 1.093 1.00 1.00 N ATOM 511 C2 DG D 1 -5.180 -0.598 1.361 1.00 1.00 C ATOM 512 N2 DG D 1 -5.984 -0.807 0.306 1.00 1.00 N ATOM 513 N3 DG D 1 -5.596 -0.939 2.572 1.00 1.00 N ATOM 514 C4 DG D 1 -4.673 -0.675 3.521 1.00 1.00 C ATOM 0 H5' DG D 1 -8.420 -4.600 3.814 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.430 -2.934 3.271 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.675 -4.076 5.802 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.197 -1.899 5.195 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.378 -0.523 4.304 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.441 -0.009 5.978 1.00 1.00 H new ATOM 0 HO5' DG D 1 -5.871 -3.543 3.414 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.692 -1.393 6.639 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.420 -0.535 6.504 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.731 0.185 0.123 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.908 -1.217 0.442 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.671 -0.556 -0.632 1.00 1.00 H new ATOM 527 P DG D 2 -9.377 -1.065 7.819 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.900 -1.726 9.037 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.333 -0.499 6.839 1.00 1.00 O ATOM 530 O5' DG D 2 -8.378 0.087 8.276 1.00 1.00 O ATOM 531 C5' DG D 2 -7.391 -0.164 9.279 1.00 1.00 C ATOM 532 C4' DG D 2 -6.413 0.987 9.364 1.00 1.00 C ATOM 533 O4' DG D 2 -5.719 1.137 8.098 1.00 1.00 O ATOM 534 C3' DG D 2 -7.037 2.359 9.636 1.00 1.00 C ATOM 535 O3' DG D 2 -6.127 3.171 10.382 1.00 1.00 O ATOM 536 C2' DG D 2 -7.154 2.925 8.234 1.00 1.00 C ATOM 537 C1' DG D 2 -5.798 2.502 7.724 1.00 1.00 C ATOM 538 N9 DG D 2 -5.568 2.635 6.289 1.00 1.00 N ATOM 539 C8 DG D 2 -6.476 2.487 5.268 1.00 1.00 C ATOM 540 N7 DG D 2 -5.971 2.736 4.089 1.00 1.00 N ATOM 541 C5 DG D 2 -4.647 3.065 4.349 1.00 1.00 C ATOM 542 C6 DG D 2 -3.596 3.431 3.468 1.00 1.00 C ATOM 543 O6 DG D 2 -3.631 3.528 2.234 1.00 1.00 O ATOM 544 N1 DG D 2 -2.405 3.685 4.145 1.00 1.00 N ATOM 545 C2 DG D 2 -2.255 3.591 5.512 1.00 1.00 C ATOM 546 N2 DG D 2 -1.039 3.860 6.010 1.00 1.00 N ATOM 547 N3 DG D 2 -3.225 3.251 6.343 1.00 1.00 N ATOM 548 C4 DG D 2 -4.384 3.004 5.699 1.00 1.00 C ATOM 0 H5' DG D 2 -6.857 -1.086 9.049 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.875 -0.309 10.245 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.770 0.721 10.203 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.971 2.315 10.197 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.977 2.490 7.667 1.00 1.00 H new ATOM 0 H2'' DG D 2 -7.295 4.006 8.222 1.00 1.00 H new ATOM 0 H1' DG D 2 -5.038 3.158 8.147 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.504 2.194 5.425 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.592 3.958 3.593 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.876 3.805 7.015 1.00 1.00 H new ATOM 0 H22 DG D 2 -0.277 4.120 5.383 1.00 1.00 H new HETATM 560 P AZW D 3 -6.084 3.186 11.984 1.00 1.00 P HETATM 561 OP1 AZW D 3 -5.230 2.061 12.428 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.465 3.313 12.509 1.00 1.00 O HETATM 563 O5' AZW D 3 -5.313 4.547 12.270 1.00 1.00 O HETATM 564 C5' AZW D 3 -5.627 5.701 11.491 1.00 1.00 C HETATM 565 C1A AZW D 3 -4.595 5.912 10.403 1.00 1.00 C HETATM 566 C2A AZW D 3 -3.225 5.882 10.700 1.00 1.00 C HETATM 567 C6A AZW D 3 -5.022 6.185 9.097 1.00 1.00 C HETATM 568 C3A AZW D 3 -2.283 6.136 9.689 1.00 1.00 C HETATM 569 C5A AZW D 3 -4.085 6.437 8.090 1.00 1.00 C HETATM 570 C4A AZW D 3 -2.715 6.419 8.383 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.778 6.732 7.369 1.00 1.00 N HETATM 572 C1B AZW D 3 0.624 8.925 3.439 1.00 1.00 C HETATM 573 C2B AZW D 3 1.053 8.983 4.771 1.00 1.00 C HETATM 574 C6B AZW D 3 -0.653 8.436 3.136 1.00 1.00 C HETATM 575 C3B AZW D 3 0.203 8.558 5.801 1.00 1.00 C HETATM 576 C5B AZW D 3 -1.502 8.011 4.165 1.00 1.00 C HETATM 577 C4B AZW D 3 -1.077 8.077 5.499 1.00 1.00 C HETATM 578 N5B AZW D 3 -1.969 7.716 6.536 1.00 1.00 N HETATM 579 C3' AZW D 3 1.523 9.420 2.327 1.00 1.00 C HETATM 580 O3' AZW D 3 2.106 10.673 2.667 1.00 1.00 O ATOM 593 P DG D 4 3.697 10.808 2.835 1.00 1.00 P ATOM 594 OP1 DG D 4 3.966 11.935 3.758 1.00 1.00 O ATOM 595 OP2 DG D 4 4.290 10.824 1.473 1.00 1.00 O ATOM 596 O5' DG D 4 4.128 9.455 3.551 1.00 1.00 O ATOM 597 C5' DG D 4 5.467 8.969 3.479 1.00 1.00 C ATOM 598 C4' DG D 4 5.783 8.179 4.727 1.00 1.00 C ATOM 599 O4' DG D 4 4.563 7.576 5.223 1.00 1.00 O ATOM 600 C3' DG D 4 6.753 7.011 4.543 1.00 1.00 C ATOM 601 O3' DG D 4 7.425 6.749 5.782 1.00 1.00 O ATOM 602 C2' DG D 4 5.816 5.876 4.171 1.00 1.00 C ATOM 603 C1' DG D 4 4.625 6.163 5.072 1.00 1.00 C ATOM 604 N9 DG D 4 3.322 5.707 4.590 1.00 1.00 N ATOM 605 C8 DG D 4 2.348 5.117 5.358 1.00 1.00 C ATOM 606 N7 DG D 4 1.261 4.836 4.695 1.00 1.00 N ATOM 607 C5 DG D 4 1.532 5.263 3.404 1.00 1.00 C ATOM 608 C6 DG D 4 0.719 5.214 2.245 1.00 1.00 C ATOM 609 O6 DG D 4 -0.433 4.768 2.140 1.00 1.00 O ATOM 610 N1 DG D 4 1.361 5.748 1.131 1.00 1.00 N ATOM 611 C2 DG D 4 2.636 6.266 1.146 1.00 1.00 C ATOM 612 N2 DG D 4 3.104 6.742 -0.020 1.00 1.00 N ATOM 613 N3 DG D 4 3.404 6.318 2.224 1.00 1.00 N ATOM 614 C4 DG D 4 2.797 5.803 3.315 1.00 1.00 C ATOM 0 H5' DG D 4 6.163 9.802 3.377 1.00 1.00 H new ATOM 0 H5'' DG D 4 5.590 8.341 2.597 1.00 1.00 H new ATOM 0 H4' DG D 4 6.245 8.906 5.395 1.00 1.00 H new ATOM 0 H3' DG D 4 7.536 7.178 3.803 1.00 1.00 H new ATOM 0 H2' DG D 4 5.546 5.895 3.115 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.255 4.899 4.370 1.00 1.00 H new ATOM 0 H1' DG D 4 4.796 5.606 5.993 1.00 1.00 H new ATOM 0 H8 DG D 4 2.471 4.906 6.410 1.00 1.00 H new ATOM 0 H1 DG D 4 0.853 5.756 0.246 1.00 1.00 H new ATOM 0 H21 DG D 4 4.043 7.138 -0.069 1.00 1.00 H new ATOM 0 H22 DG D 4 2.521 6.707 -0.856 1.00 1.00 H new ATOM 626 P DG D 5 8.432 5.508 5.945 1.00 1.00 P ATOM 627 OP1 DG D 5 9.364 5.848 7.046 1.00 1.00 O ATOM 628 OP2 DG D 5 8.980 5.152 4.615 1.00 1.00 O ATOM 629 O5' DG D 5 7.507 4.312 6.440 1.00 1.00 O ATOM 630 C5' DG D 5 6.945 4.324 7.750 1.00 1.00 C ATOM 631 C4' DG D 5 5.994 3.164 7.922 1.00 1.00 C ATOM 632 O4' DG D 5 4.965 3.239 6.906 1.00 1.00 O ATOM 633 C3' DG D 5 6.632 1.778 7.777 1.00 1.00 C ATOM 634 O3' DG D 5 6.394 0.986 8.944 1.00 1.00 O ATOM 635 C2' DG D 5 5.937 1.163 6.572 1.00 1.00 C ATOM 636 C1' DG D 5 4.626 1.921 6.529 1.00 1.00 C ATOM 637 N9 DG D 5 3.974 1.964 5.223 1.00 1.00 N ATOM 638 C8 DG D 5 4.524 2.358 4.028 1.00 1.00 C ATOM 639 N7 DG D 5 3.686 2.287 3.028 1.00 1.00 N ATOM 640 C5 DG D 5 2.511 1.817 3.599 1.00 1.00 C ATOM 641 C6 DG D 5 1.249 1.538 3.010 1.00 1.00 C ATOM 642 O6 DG D 5 0.910 1.658 1.821 1.00 1.00 O ATOM 643 N1 DG D 5 0.326 1.078 3.944 1.00 1.00 N ATOM 644 C2 DG D 5 0.597 0.909 5.284 1.00 1.00 C ATOM 645 N2 DG D 5 -0.411 0.458 6.043 1.00 1.00 N ATOM 646 N3 DG D 5 1.766 1.165 5.845 1.00 1.00 N ATOM 647 C4 DG D 5 2.673 1.613 4.952 1.00 1.00 C ATOM 0 H5' DG D 5 6.418 5.263 7.919 1.00 1.00 H new ATOM 0 H5'' DG D 5 7.739 4.266 8.494 1.00 1.00 H new ATOM 0 H4' DG D 5 5.618 3.258 8.941 1.00 1.00 H new ATOM 0 H3' DG D 5 7.714 1.834 7.654 1.00 1.00 H new ATOM 0 H2' DG D 5 6.514 1.298 5.657 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.782 0.091 6.696 1.00 1.00 H new ATOM 0 HO3' DG D 5 6.808 0.105 8.831 1.00 1.00 H new ATOM 0 H1' DG D 5 3.910 1.419 7.180 1.00 1.00 H new ATOM 0 H8 DG D 5 5.546 2.693 3.925 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.612 0.851 3.615 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.271 0.313 7.043 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.318 0.260 5.621 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.370 -3.998 -0.459 1.00 1.00 K HETATM 662 K K A 102 0.036 -0.402 0.097 1.00 1.00 K HETATM 663 K K C 101 -1.636 3.114 0.451 1.00 1.00 K