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 -12:sc= 0.533 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 54:sc= 0.0808 USER MOD Single : B 5 DG O3' : rot -150:sc= 0 USER MOD Single : C 1 DG O5' : rot -11:sc= 0.591 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -76:sc= 0.831 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.212 -2.731 -1.303 1.00 1.00 O ATOM 2 C5' DG A 1 -8.769 -3.922 -1.863 1.00 1.00 C ATOM 3 C4' DG A 1 -8.335 -4.087 -3.299 1.00 1.00 C ATOM 4 O4' DG A 1 -7.121 -3.322 -3.497 1.00 1.00 O ATOM 5 C3' DG A 1 -8.016 -5.522 -3.725 1.00 1.00 C ATOM 6 O3' DG A 1 -8.585 -5.784 -5.015 1.00 1.00 O ATOM 7 C2' DG A 1 -6.499 -5.553 -3.784 1.00 1.00 C ATOM 8 C1' DG A 1 -6.168 -4.126 -4.169 1.00 1.00 C ATOM 9 N9 DG A 1 -4.830 -3.680 -3.790 1.00 1.00 N ATOM 10 C8 DG A 1 -3.855 -3.214 -4.640 1.00 1.00 C ATOM 11 N7 DG A 1 -2.749 -2.888 -4.029 1.00 1.00 N ATOM 12 C5 DG A 1 -3.006 -3.155 -2.692 1.00 1.00 C ATOM 13 C6 DG A 1 -2.172 -3.000 -1.557 1.00 1.00 C ATOM 14 O6 DG A 1 -1.011 -2.565 -1.511 1.00 1.00 O ATOM 15 N1 DG A 1 -2.810 -3.390 -0.384 1.00 1.00 N ATOM 16 C2 DG A 1 -4.100 -3.867 -0.324 1.00 1.00 C ATOM 17 N2 DG A 1 -4.567 -4.176 0.898 1.00 1.00 N ATOM 18 N3 DG A 1 -4.890 -4.016 -1.377 1.00 1.00 N ATOM 19 C4 DG A 1 -4.284 -3.645 -2.525 1.00 1.00 C ATOM 0 H5' DG A 1 -9.857 -3.882 -1.809 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.453 -4.787 -1.280 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.182 -3.752 -3.898 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.420 -6.275 -3.048 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.059 -5.829 -2.826 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.134 -6.269 -4.520 1.00 1.00 H new ATOM 0 HO5' DG A 1 -7.522 -2.379 -1.903 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.195 -4.050 -5.256 1.00 1.00 H new ATOM 0 H8 DG A 1 -3.991 -3.126 -5.708 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.288 -3.318 0.489 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.516 -4.534 1.006 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.972 -4.052 1.717 1.00 1.00 H new ATOM 32 P DG A 2 -8.666 -7.283 -5.583 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.835 -7.347 -6.492 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.582 -8.224 -4.441 1.00 1.00 O ATOM 35 O5' DG A 2 -7.348 -7.426 -6.463 1.00 1.00 O ATOM 36 C5' DG A 2 -7.054 -6.482 -7.495 1.00 1.00 C ATOM 37 C4' DG A 2 -5.631 -6.653 -7.970 1.00 1.00 C ATOM 38 O4' DG A 2 -4.727 -6.105 -6.977 1.00 1.00 O ATOM 39 C3' DG A 2 -5.187 -8.102 -8.189 1.00 1.00 C ATOM 40 O3' DG A 2 -4.420 -8.192 -9.397 1.00 1.00 O ATOM 41 C2' DG A 2 -4.328 -8.377 -6.969 1.00 1.00 C ATOM 42 C1' DG A 2 -3.673 -7.027 -6.782 1.00 1.00 C ATOM 43 N9 DG A 2 -3.070 -6.807 -5.472 1.00 1.00 N ATOM 44 C8 DG A 2 -3.542 -7.225 -4.250 1.00 1.00 C ATOM 45 N7 DG A 2 -2.738 -6.940 -3.263 1.00 1.00 N ATOM 46 C5 DG A 2 -1.671 -6.292 -3.869 1.00 1.00 C ATOM 47 C6 DG A 2 -0.489 -5.751 -3.304 1.00 1.00 C ATOM 48 O6 DG A 2 -0.148 -5.739 -2.113 1.00 1.00 O ATOM 49 N1 DG A 2 0.337 -5.180 -4.268 1.00 1.00 N ATOM 50 C2 DG A 2 0.046 -5.140 -5.613 1.00 1.00 C ATOM 51 N2 DG A 2 0.944 -4.537 -6.406 1.00 1.00 N ATOM 52 N3 DG A 2 -1.053 -5.643 -6.153 1.00 1.00 N ATOM 53 C4 DG A 2 -1.862 -6.200 -5.228 1.00 1.00 C ATOM 0 H5' DG A 2 -7.201 -5.468 -7.123 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.742 -6.618 -8.329 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.598 -6.142 -8.932 1.00 1.00 H new ATOM 0 H3' DG A 2 -6.007 -8.812 -8.295 1.00 1.00 H new ATOM 0 H2' DG A 2 -4.920 -8.674 -6.103 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.601 -9.170 -7.144 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.838 -6.929 -7.476 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.484 -7.738 -4.120 1.00 1.00 H new ATOM 0 H1 DG A 2 1.215 -4.764 -3.958 1.00 1.00 H new ATOM 0 H21 DG A 2 0.779 -4.479 -7.411 1.00 1.00 H new ATOM 0 H22 DG A 2 1.792 -4.137 -6.004 1.00 1.00 H new HETATM 65 P AZW A 3 -3.784 -9.588 -9.869 1.00 1.00 P HETATM 66 OP1 AZW A 3 -3.854 -9.650 -11.348 1.00 1.00 O HETATM 67 OP2 AZW A 3 -4.415 -10.666 -9.074 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.254 -9.473 -9.444 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.403 -8.521 -10.072 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.238 -8.179 -9.168 1.00 1.00 C HETATM 71 C2A AZW A 3 0.860 -7.489 -9.693 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.245 -8.551 -7.813 1.00 1.00 C HETATM 73 C3A AZW A 3 1.949 -7.174 -8.874 1.00 1.00 C HETATM 74 C5A AZW A 3 0.847 -8.233 -6.994 1.00 1.00 C HETATM 75 C4A AZW A 3 1.943 -7.544 -7.526 1.00 1.00 C HETATM 76 N5A AZW A 3 3.049 -7.229 -6.710 1.00 1.00 N HETATM 77 C1B AZW A 3 7.577 -6.838 -4.504 1.00 1.00 C HETATM 78 C2B AZW A 3 7.735 -7.137 -5.869 1.00 1.00 C HETATM 79 C6B AZW A 3 6.297 -6.851 -3.934 1.00 1.00 C HETATM 80 C3B AZW A 3 6.618 -7.446 -6.650 1.00 1.00 C HETATM 81 C5B AZW A 3 5.181 -7.164 -4.720 1.00 1.00 C HETATM 82 C4B AZW A 3 5.341 -7.458 -6.079 1.00 1.00 C HETATM 83 N5B AZW A 3 4.220 -7.766 -6.878 1.00 1.00 N HETATM 84 C3' AZW A 3 8.777 -6.494 -3.646 1.00 1.00 C HETATM 85 O3' AZW A 3 9.993 -6.878 -4.283 1.00 1.00 O ATOM 98 P DG A 4 10.912 -5.767 -4.986 1.00 1.00 P ATOM 99 OP1 DG A 4 11.810 -6.454 -5.948 1.00 1.00 O ATOM 100 OP2 DG A 4 11.492 -4.923 -3.915 1.00 1.00 O ATOM 101 O5' DG A 4 9.884 -4.884 -5.816 1.00 1.00 O ATOM 102 C5' DG A 4 9.940 -3.458 -5.791 1.00 1.00 C ATOM 103 C4' DG A 4 9.128 -2.897 -6.934 1.00 1.00 C ATOM 104 O4' DG A 4 7.812 -3.504 -6.919 1.00 1.00 O ATOM 105 C3' DG A 4 8.896 -1.385 -6.889 1.00 1.00 C ATOM 106 O3' DG A 4 8.933 -0.845 -8.218 1.00 1.00 O ATOM 107 C2' DG A 4 7.504 -1.273 -6.290 1.00 1.00 C ATOM 108 C1' DG A 4 6.820 -2.490 -6.881 1.00 1.00 C ATOM 109 N9 DG A 4 5.670 -2.993 -6.133 1.00 1.00 N ATOM 110 C8 DG A 4 4.424 -3.256 -6.645 1.00 1.00 C ATOM 111 N7 DG A 4 3.572 -3.674 -5.750 1.00 1.00 N ATOM 112 C5 DG A 4 4.300 -3.690 -4.570 1.00 1.00 C ATOM 113 C6 DG A 4 3.898 -4.055 -3.260 1.00 1.00 C ATOM 114 O6 DG A 4 2.784 -4.443 -2.880 1.00 1.00 O ATOM 115 N1 DG A 4 4.936 -3.930 -2.342 1.00 1.00 N ATOM 116 C2 DG A 4 6.206 -3.503 -2.662 1.00 1.00 C ATOM 117 N2 DG A 4 7.087 -3.442 -1.652 1.00 1.00 N ATOM 118 N3 DG A 4 6.593 -3.159 -3.881 1.00 1.00 N ATOM 119 C4 DG A 4 5.597 -3.274 -4.784 1.00 1.00 C ATOM 0 H5' DG A 4 10.975 -3.124 -5.869 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.555 -3.086 -4.842 1.00 1.00 H new ATOM 0 H4' DG A 4 9.713 -3.119 -7.827 1.00 1.00 H new ATOM 0 H3' DG A 4 9.647 -0.838 -6.318 1.00 1.00 H new ATOM 0 H2' DG A 4 7.523 -1.302 -5.201 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.008 -0.345 -6.575 1.00 1.00 H new ATOM 0 H1' DG A 4 6.417 -2.206 -7.853 1.00 1.00 H new ATOM 0 H8 DG A 4 4.173 -3.129 -7.688 1.00 1.00 H new ATOM 0 H1 DG A 4 4.744 -4.170 -1.369 1.00 1.00 H new ATOM 0 H21 DG A 4 8.043 -3.133 -1.827 1.00 1.00 H new ATOM 0 H22 DG A 4 6.801 -3.705 -0.709 1.00 1.00 H new ATOM 131 P DG A 5 8.779 0.736 -8.466 1.00 1.00 P ATOM 132 OP1 DG A 5 9.426 1.064 -9.757 1.00 1.00 O ATOM 133 OP2 DG A 5 9.222 1.434 -7.236 1.00 1.00 O ATOM 134 O5' DG A 5 7.212 0.960 -8.628 1.00 1.00 O ATOM 135 C5' DG A 5 6.497 0.326 -9.688 1.00 1.00 C ATOM 136 C4' DG A 5 5.007 0.409 -9.453 1.00 1.00 C ATOM 137 O4' DG A 5 4.674 -0.231 -8.200 1.00 1.00 O ATOM 138 C3' DG A 5 4.441 1.832 -9.357 1.00 1.00 C ATOM 139 O3' DG A 5 3.445 2.049 -10.364 1.00 1.00 O ATOM 140 C2' DG A 5 3.818 1.897 -7.970 1.00 1.00 C ATOM 141 C1' DG A 5 3.546 0.437 -7.678 1.00 1.00 C ATOM 142 N9 DG A 5 3.391 0.101 -6.266 1.00 1.00 N ATOM 143 C8 DG A 5 4.296 0.297 -5.251 1.00 1.00 C ATOM 144 N7 DG A 5 3.854 -0.093 -4.085 1.00 1.00 N ATOM 145 C5 DG A 5 2.578 -0.576 -4.346 1.00 1.00 C ATOM 146 C6 DG A 5 1.606 -1.134 -3.470 1.00 1.00 C ATOM 147 O6 DG A 5 1.683 -1.314 -2.243 1.00 1.00 O ATOM 148 N1 DG A 5 0.445 -1.498 -4.147 1.00 1.00 N ATOM 149 C2 DG A 5 0.252 -1.340 -5.501 1.00 1.00 C ATOM 150 N2 DG A 5 -0.925 -1.755 -5.986 1.00 1.00 N ATOM 151 N3 DG A 5 1.146 -0.820 -6.325 1.00 1.00 N ATOM 152 C4 DG A 5 2.280 -0.464 -5.686 1.00 1.00 C ATOM 0 H5' DG A 5 6.800 -0.718 -9.764 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.747 0.801 -10.637 1.00 1.00 H new ATOM 0 H4' DG A 5 4.570 -0.076 -10.326 1.00 1.00 H new ATOM 0 H3' DG A 5 5.205 2.594 -9.509 1.00 1.00 H new ATOM 0 H2' DG A 5 4.495 2.340 -7.239 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.905 2.492 -7.960 1.00 1.00 H new ATOM 0 HO3' DG A 5 3.094 2.961 -10.286 1.00 1.00 H new ATOM 0 H1' DG A 5 2.592 0.152 -8.120 1.00 1.00 H new ATOM 0 H8 DG A 5 5.274 0.730 -5.402 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.314 -1.909 -3.603 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.127 -1.664 -6.982 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.620 -2.162 -5.360 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.999 3.525 1.838 1.00 1.00 O ATOM 167 C5' DG B 1 8.721 2.309 1.611 1.00 1.00 C ATOM 168 C4' DG B 1 8.746 1.450 2.853 1.00 1.00 C ATOM 169 O4' DG B 1 7.386 1.090 3.196 1.00 1.00 O ATOM 170 C3' DG B 1 9.517 0.133 2.723 1.00 1.00 C ATOM 171 O3' DG B 1 10.284 -0.098 3.912 1.00 1.00 O ATOM 172 C2' DG B 1 8.423 -0.909 2.569 1.00 1.00 C ATOM 173 C1' DG B 1 7.298 -0.313 3.390 1.00 1.00 C ATOM 174 N9 DG B 1 5.954 -0.751 3.022 1.00 1.00 N ATOM 175 C8 DG B 1 5.016 -1.297 3.863 1.00 1.00 C ATOM 176 N7 DG B 1 3.899 -1.607 3.266 1.00 1.00 N ATOM 177 C5 DG B 1 4.110 -1.245 1.944 1.00 1.00 C ATOM 178 C6 DG B 1 3.249 -1.348 0.821 1.00 1.00 C ATOM 179 O6 DG B 1 2.092 -1.790 0.781 1.00 1.00 O ATOM 180 N1 DG B 1 3.844 -0.871 -0.342 1.00 1.00 N ATOM 181 C2 DG B 1 5.117 -0.356 -0.404 1.00 1.00 C ATOM 182 N2 DG B 1 5.526 0.074 -1.606 1.00 1.00 N ATOM 183 N3 DG B 1 5.931 -0.253 0.634 1.00 1.00 N ATOM 184 C4 DG B 1 5.370 -0.716 1.773 1.00 1.00 C ATOM 0 H5' DG B 1 9.741 2.540 1.305 1.00 1.00 H new ATOM 0 H5'' DG B 1 8.260 1.756 0.792 1.00 1.00 H new ATOM 0 H4' DG B 1 9.253 2.055 3.605 1.00 1.00 H new ATOM 0 H3' DG B 1 10.222 0.120 1.891 1.00 1.00 H new ATOM 0 H2' DG B 1 8.137 -1.048 1.526 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.732 -1.883 2.948 1.00 1.00 H new ATOM 0 HO5' DG B 1 8.370 3.985 2.620 1.00 1.00 H new ATOM 0 H1' DG B 1 7.426 -0.640 4.422 1.00 1.00 H new ATOM 0 H8 DG B 1 5.187 -1.455 4.918 1.00 1.00 H new ATOM 0 H1 DG B 1 3.301 -0.906 -1.205 1.00 1.00 H new ATOM 0 H21 DG B 1 6.461 0.467 -1.716 1.00 1.00 H new ATOM 0 H22 DG B 1 4.902 0.008 -2.410 1.00 1.00 H new ATOM 197 P DG B 2 11.342 -1.305 3.977 1.00 1.00 P ATOM 198 OP1 DG B 2 12.374 -0.939 4.976 1.00 1.00 O ATOM 199 OP2 DG B 2 11.752 -1.659 2.598 1.00 1.00 O ATOM 200 O5' DG B 2 10.503 -2.515 4.579 1.00 1.00 O ATOM 201 C5' DG B 2 9.873 -2.390 5.853 1.00 1.00 C ATOM 202 C4' DG B 2 8.918 -3.539 6.074 1.00 1.00 C ATOM 203 O4' DG B 2 7.804 -3.432 5.152 1.00 1.00 O ATOM 204 C3' DG B 2 9.514 -4.928 5.840 1.00 1.00 C ATOM 205 O3' DG B 2 8.972 -5.834 6.807 1.00 1.00 O ATOM 206 C2' DG B 2 9.006 -5.263 4.450 1.00 1.00 C ATOM 207 C1' DG B 2 7.608 -4.703 4.560 1.00 1.00 C ATOM 208 N9 DG B 2 6.881 -4.551 3.303 1.00 1.00 N ATOM 209 C8 DG B 2 7.373 -4.144 2.086 1.00 1.00 C ATOM 210 N7 DG B 2 6.478 -4.166 1.136 1.00 1.00 N ATOM 211 C5 DG B 2 5.323 -4.612 1.766 1.00 1.00 C ATOM 212 C6 DG B 2 4.024 -4.837 1.249 1.00 1.00 C ATOM 213 O6 DG B 2 3.626 -4.679 0.089 1.00 1.00 O ATOM 214 N1 DG B 2 3.141 -5.291 2.227 1.00 1.00 N ATOM 215 C2 DG B 2 3.485 -5.498 3.546 1.00 1.00 C ATOM 216 N2 DG B 2 2.520 -5.939 4.363 1.00 1.00 N ATOM 217 N3 DG B 2 4.693 -5.289 4.040 1.00 1.00 N ATOM 218 C4 DG B 2 5.557 -4.850 3.102 1.00 1.00 C ATOM 0 H5' DG B 2 9.335 -1.444 5.910 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.627 -2.377 6.640 1.00 1.00 H new ATOM 0 H4' DG B 2 8.633 -3.456 7.123 1.00 1.00 H new ATOM 0 H3' DG B 2 10.599 -4.982 5.926 1.00 1.00 H new ATOM 0 H2' DG B 2 9.589 -4.784 3.663 1.00 1.00 H new ATOM 0 H2'' DG B 2 9.015 -6.334 4.247 1.00 1.00 H new ATOM 0 H1' DG B 2 6.986 -5.396 5.126 1.00 1.00 H new ATOM 0 H8 DG B 2 8.397 -3.837 1.931 1.00 1.00 H new ATOM 0 H1 DG B 2 2.178 -5.482 1.949 1.00 1.00 H new ATOM 0 H21 DG B 2 2.723 -6.108 5.348 1.00 1.00 H new ATOM 0 H22 DG B 2 1.581 -6.106 4.000 1.00 1.00 H new HETATM 230 P AZW B 3 9.902 -6.831 7.655 1.00 1.00 P HETATM 231 OP1 AZW B 3 9.739 -6.514 9.092 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.260 -6.832 7.055 1.00 1.00 O HETATM 233 O5' AZW B 3 9.236 -8.248 7.372 1.00 1.00 O HETATM 234 C5' AZW B 3 9.196 -8.751 6.042 1.00 1.00 C HETATM 235 C1A AZW B 3 7.772 -8.805 5.527 1.00 1.00 C HETATM 236 C2A AZW B 3 6.692 -8.987 6.407 1.00 1.00 C HETATM 237 C6A AZW B 3 7.536 -8.701 4.145 1.00 1.00 C HETATM 238 C3A AZW B 3 5.383 -9.071 5.903 1.00 1.00 C HETATM 239 C5A AZW B 3 6.233 -8.785 3.647 1.00 1.00 C HETATM 240 C4A AZW B 3 5.156 -8.973 4.520 1.00 1.00 C HETATM 241 N5A AZW B 3 3.853 -9.105 3.992 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.226 -10.540 1.320 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.104 -10.447 2.714 1.00 1.00 C HETATM 244 C6B AZW B 3 0.909 -10.427 0.511 1.00 1.00 C HETATM 245 C3B AZW B 3 1.157 -10.244 3.297 1.00 1.00 C HETATM 246 C5B AZW B 3 2.167 -10.228 1.090 1.00 1.00 C HETATM 247 C4B AZW B 3 2.294 -10.137 2.482 1.00 1.00 C HETATM 248 N5B AZW B 3 3.576 -9.965 3.055 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.582 -10.770 0.686 1.00 1.00 C HETATM 250 O3' AZW B 3 -2.015 -12.110 0.896 1.00 1.00 O ATOM 263 P DG B 4 -3.468 -12.385 1.524 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.512 -13.790 1.996 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.473 -11.916 0.542 1.00 1.00 O ATOM 266 O5' DG B 4 -3.532 -11.433 2.796 1.00 1.00 O ATOM 267 C5' DG B 4 -4.678 -10.629 3.066 1.00 1.00 C ATOM 268 C4' DG B 4 -4.570 -10.053 4.457 1.00 1.00 C ATOM 269 O4' DG B 4 -3.225 -9.555 4.646 1.00 1.00 O ATOM 270 C3' DG B 4 -5.502 -8.880 4.758 1.00 1.00 C ATOM 271 O3' DG B 4 -5.907 -8.923 6.134 1.00 1.00 O ATOM 272 C2' DG B 4 -4.633 -7.666 4.476 1.00 1.00 C ATOM 273 C1' DG B 4 -3.248 -8.154 4.873 1.00 1.00 C ATOM 274 N9 DG B 4 -2.132 -7.558 4.138 1.00 1.00 N ATOM 275 C8 DG B 4 -0.957 -7.100 4.684 1.00 1.00 C ATOM 276 N7 DG B 4 -0.131 -6.612 3.800 1.00 1.00 N ATOM 277 C5 DG B 4 -0.795 -6.756 2.592 1.00 1.00 C ATOM 278 C6 DG B 4 -0.387 -6.401 1.280 1.00 1.00 C ATOM 279 O6 DG B 4 0.675 -5.871 0.927 1.00 1.00 O ATOM 280 N1 DG B 4 -1.351 -6.712 0.328 1.00 1.00 N ATOM 281 C2 DG B 4 -2.563 -7.296 0.618 1.00 1.00 C ATOM 282 N2 DG B 4 -3.378 -7.530 -0.420 1.00 1.00 N ATOM 283 N3 DG B 4 -2.955 -7.632 1.837 1.00 1.00 N ATOM 284 C4 DG B 4 -2.032 -7.337 2.776 1.00 1.00 C ATOM 0 H5' DG B 4 -5.585 -11.227 2.978 1.00 1.00 H new ATOM 0 H5'' DG B 4 -4.753 -9.826 2.333 1.00 1.00 H new ATOM 0 H4' DG B 4 -4.848 -10.871 5.122 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.420 -8.881 4.170 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.675 -7.372 3.427 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.942 -6.801 5.062 1.00 1.00 H new ATOM 0 H1' DG B 4 -3.100 -7.862 5.913 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.739 -7.140 5.741 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.147 -6.494 -0.647 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.289 -7.961 -0.266 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.087 -7.277 -1.364 1.00 1.00 H new ATOM 296 P DG B 5 -6.969 -7.862 6.708 1.00 1.00 P ATOM 297 OP1 DG B 5 -7.623 -8.477 7.888 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.804 -7.383 5.583 1.00 1.00 O ATOM 299 O5' DG B 5 -6.078 -6.648 7.224 1.00 1.00 O ATOM 300 C5' DG B 5 -5.022 -6.867 8.158 1.00 1.00 C ATOM 301 C4' DG B 5 -4.118 -5.657 8.240 1.00 1.00 C ATOM 302 O4' DG B 5 -3.192 -5.644 7.135 1.00 1.00 O ATOM 303 C3' DG B 5 -4.805 -4.301 8.121 1.00 1.00 C ATOM 304 O3' DG B 5 -5.388 -3.905 9.364 1.00 1.00 O ATOM 305 C2' DG B 5 -3.651 -3.392 7.731 1.00 1.00 C ATOM 306 C1' DG B 5 -2.673 -4.325 7.017 1.00 1.00 C ATOM 307 N9 DG B 5 -2.494 -4.022 5.600 1.00 1.00 N ATOM 308 C8 DG B 5 -3.434 -4.116 4.601 1.00 1.00 C ATOM 309 N7 DG B 5 -2.974 -3.777 3.426 1.00 1.00 N ATOM 310 C5 DG B 5 -1.649 -3.435 3.662 1.00 1.00 C ATOM 311 C6 DG B 5 -0.640 -2.983 2.767 1.00 1.00 C ATOM 312 O6 DG B 5 -0.727 -2.776 1.545 1.00 1.00 O ATOM 313 N1 DG B 5 0.568 -2.749 3.422 1.00 1.00 N ATOM 314 C2 DG B 5 0.767 -2.928 4.773 1.00 1.00 C ATOM 315 N2 DG B 5 1.993 -2.643 5.238 1.00 1.00 N ATOM 316 N3 DG B 5 -0.164 -3.346 5.614 1.00 1.00 N ATOM 317 C4 DG B 5 -1.339 -3.580 4.998 1.00 1.00 C ATOM 0 H5' DG B 5 -4.442 -7.740 7.860 1.00 1.00 H new ATOM 0 H5'' DG B 5 -5.439 -7.082 9.142 1.00 1.00 H new ATOM 0 H4' DG B 5 -3.672 -5.765 9.228 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.630 -4.286 7.409 1.00 1.00 H new ATOM 0 H2' DG B 5 -3.982 -2.584 7.078 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.195 -2.928 8.605 1.00 1.00 H new ATOM 0 HO3' DG B 5 -6.174 -3.346 9.193 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.695 -4.204 7.483 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.451 -4.438 4.771 1.00 1.00 H new ATOM 0 H1 DG B 5 1.357 -2.424 2.864 1.00 1.00 H new ATOM 0 H21 DG B 5 2.201 -2.756 6.230 1.00 1.00 H new ATOM 0 H22 DG B 5 2.717 -2.313 4.599 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.873 2.297 -2.979 1.00 1.00 O ATOM 332 C5' DG C 1 7.435 3.472 -3.562 1.00 1.00 C ATOM 333 C4' DG C 1 6.673 3.870 -4.804 1.00 1.00 C ATOM 334 O4' DG C 1 5.391 3.192 -4.795 1.00 1.00 O ATOM 335 C3' DG C 1 6.353 5.361 -4.916 1.00 1.00 C ATOM 336 O3' DG C 1 6.374 5.768 -6.291 1.00 1.00 O ATOM 337 C2' DG C 1 4.944 5.442 -4.357 1.00 1.00 C ATOM 338 C1' DG C 1 4.350 4.153 -4.887 1.00 1.00 C ATOM 339 N9 DG C 1 3.191 3.645 -4.160 1.00 1.00 N ATOM 340 C8 DG C 1 1.964 3.344 -4.697 1.00 1.00 C ATOM 341 N7 DG C 1 1.114 2.882 -3.822 1.00 1.00 N ATOM 342 C5 DG C 1 1.822 2.881 -2.628 1.00 1.00 C ATOM 343 C6 DG C 1 1.414 2.486 -1.330 1.00 1.00 C ATOM 344 O6 DG C 1 0.313 2.037 -0.981 1.00 1.00 O ATOM 345 N1 DG C 1 2.431 2.642 -0.393 1.00 1.00 N ATOM 346 C2 DG C 1 3.688 3.118 -0.686 1.00 1.00 C ATOM 347 N2 DG C 1 4.557 3.186 0.337 1.00 1.00 N ATOM 348 N3 DG C 1 4.080 3.491 -1.895 1.00 1.00 N ATOM 349 C4 DG C 1 3.104 3.349 -2.816 1.00 1.00 C ATOM 0 H5' DG C 1 8.481 3.295 -3.812 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.414 4.288 -2.840 1.00 1.00 H new ATOM 0 H4' DG C 1 7.322 3.601 -5.637 1.00 1.00 H new ATOM 0 H3' DG C 1 7.063 6.004 -4.395 1.00 1.00 H new ATOM 0 H2' DG C 1 4.934 5.484 -3.268 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.408 6.321 -4.715 1.00 1.00 H new ATOM 0 HO5' DG C 1 6.013 2.100 -3.405 1.00 1.00 H new ATOM 0 H1' DG C 1 3.984 4.345 -5.896 1.00 1.00 H new ATOM 0 H8 DG C 1 1.726 3.477 -5.742 1.00 1.00 H new ATOM 0 H1 DG C 1 2.231 2.387 0.574 1.00 1.00 H new ATOM 0 H21 DG C 1 5.504 3.531 0.180 1.00 1.00 H new ATOM 0 H22 DG C 1 4.270 2.893 1.271 1.00 1.00 H new ATOM 362 P DG C 2 6.269 7.322 -6.682 1.00 1.00 P ATOM 363 OP1 DG C 2 6.892 7.498 -8.013 1.00 1.00 O ATOM 364 OP2 DG C 2 6.774 8.111 -5.532 1.00 1.00 O ATOM 365 O5' DG C 2 4.706 7.594 -6.815 1.00 1.00 O ATOM 366 C5' DG C 2 3.960 7.050 -7.903 1.00 1.00 C ATOM 367 C4' DG C 2 2.481 7.308 -7.723 1.00 1.00 C ATOM 368 O4' DG C 2 2.001 6.556 -6.569 1.00 1.00 O ATOM 369 C3' DG C 2 2.115 8.775 -7.443 1.00 1.00 C ATOM 370 O3' DG C 2 0.893 9.234 -8.062 1.00 1.00 O ATOM 371 C2' DG C 2 1.914 8.774 -5.940 1.00 1.00 C ATOM 372 C1' DG C 2 1.231 7.438 -5.777 1.00 1.00 C ATOM 373 N9 DG C 2 1.149 6.936 -4.407 1.00 1.00 N ATOM 374 C8 DG C 2 2.059 7.108 -3.392 1.00 1.00 C ATOM 375 N7 DG C 2 1.654 6.626 -2.248 1.00 1.00 N ATOM 376 C5 DG C 2 0.400 6.097 -2.525 1.00 1.00 C ATOM 377 C6 DG C 2 -0.527 5.440 -1.676 1.00 1.00 C ATOM 378 O6 DG C 2 -0.420 5.196 -0.466 1.00 1.00 O ATOM 379 N1 DG C 2 -1.681 5.060 -2.358 1.00 1.00 N ATOM 380 C2 DG C 2 -1.901 5.290 -3.698 1.00 1.00 C ATOM 381 N2 DG C 2 -3.061 4.848 -4.203 1.00 1.00 N ATOM 382 N3 DG C 2 -1.046 5.903 -4.498 1.00 1.00 N ATOM 383 C4 DG C 2 0.077 6.277 -3.851 1.00 1.00 C ATOM 0 H5' DG C 2 4.141 5.977 -7.973 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.299 7.492 -8.840 1.00 1.00 H new ATOM 0 H4' DG C 2 2.026 7.012 -8.668 1.00 1.00 H new ATOM 0 H3' DG C 2 2.885 9.437 -7.839 1.00 1.00 H new ATOM 0 H2' DG C 2 2.855 8.832 -5.392 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.295 9.604 -5.600 1.00 1.00 H new ATOM 0 H1' DG C 2 0.187 7.529 -6.076 1.00 1.00 H new ATOM 0 H8 DG C 2 3.014 7.594 -3.527 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.410 4.580 -1.831 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.275 4.992 -5.190 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.729 4.368 -3.601 1.00 1.00 H new HETATM 395 P AZW C 3 -0.004 8.375 -9.088 1.00 1.00 P HETATM 396 OP1 AZW C 3 -0.351 7.070 -8.481 1.00 1.00 O HETATM 397 OP2 AZW C 3 0.684 8.408 -10.399 1.00 1.00 O HETATM 398 O5' AZW C 3 -1.356 9.205 -9.234 1.00 1.00 O HETATM 399 C5' AZW C 3 -1.771 10.166 -8.262 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.532 9.481 -7.145 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.706 8.765 -7.427 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.090 9.601 -5.820 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.439 8.178 -6.384 1.00 1.00 C HETATM 404 C5A AZW C 3 -2.821 9.016 -4.780 1.00 1.00 C HETATM 405 C4A AZW C 3 -3.996 8.304 -5.060 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.738 7.735 -3.999 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.953 6.803 -0.181 1.00 1.00 C HETATM 408 C2B AZW C 3 -8.609 7.252 -1.339 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.555 6.856 -0.110 1.00 1.00 C HETATM 410 C3B AZW C 3 -7.868 7.752 -2.418 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.813 7.357 -1.189 1.00 1.00 C HETATM 412 C4B AZW C 3 -6.467 7.808 -2.342 1.00 1.00 C HETATM 413 N5B AZW C 3 -5.720 8.356 -3.412 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.741 6.255 0.995 1.00 1.00 C HETATM 415 O3' AZW C 3 -10.085 6.725 0.981 1.00 1.00 O ATOM 428 P DG C 4 -11.287 5.683 0.771 1.00 1.00 P ATOM 429 OP1 DG C 4 -12.521 6.474 0.538 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.254 4.695 1.876 1.00 1.00 O ATOM 431 O5' DG C 4 -10.910 4.940 -0.584 1.00 1.00 O ATOM 432 C5' DG C 4 -11.216 3.561 -0.790 1.00 1.00 C ATOM 433 C4' DG C 4 -10.995 3.216 -2.244 1.00 1.00 C ATOM 434 O4' DG C 4 -9.728 3.776 -2.665 1.00 1.00 O ATOM 435 C3' DG C 4 -10.909 1.724 -2.564 1.00 1.00 C ATOM 436 O3' DG C 4 -11.396 1.500 -3.894 1.00 1.00 O ATOM 437 C2' DG C 4 -9.417 1.462 -2.468 1.00 1.00 C ATOM 438 C1' DG C 4 -8.858 2.733 -3.078 1.00 1.00 C ATOM 439 N9 DG C 4 -7.496 3.088 -2.687 1.00 1.00 N ATOM 440 C8 DG C 4 -6.494 3.477 -3.540 1.00 1.00 C ATOM 441 N7 DG C 4 -5.374 3.756 -2.933 1.00 1.00 N ATOM 442 C5 DG C 4 -5.649 3.538 -1.591 1.00 1.00 C ATOM 443 C6 DG C 4 -4.810 3.676 -0.459 1.00 1.00 C ATOM 444 O6 DG C 4 -3.622 4.026 -0.427 1.00 1.00 O ATOM 445 N1 DG C 4 -5.469 3.357 0.725 1.00 1.00 N ATOM 446 C2 DG C 4 -6.781 2.950 0.795 1.00 1.00 C ATOM 447 N2 DG C 4 -7.259 2.679 2.021 1.00 1.00 N ATOM 448 N3 DG C 4 -7.577 2.817 -0.256 1.00 1.00 N ATOM 449 C4 DG C 4 -6.953 3.124 -1.415 1.00 1.00 C ATOM 0 H5' DG C 4 -12.250 3.359 -0.509 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.586 2.937 -0.156 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.868 3.618 -2.758 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.495 1.078 -1.910 1.00 1.00 H new ATOM 0 H2' DG C 4 -9.089 1.320 -1.438 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.118 0.573 -3.023 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.803 2.576 -4.155 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.621 3.545 -4.610 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.945 3.430 1.597 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.225 2.373 2.135 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.656 2.779 2.837 1.00 1.00 H new ATOM 461 P DG C 5 -11.463 0.022 -4.519 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.497 0.029 -5.579 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.579 -0.945 -3.402 1.00 1.00 O ATOM 464 O5' DG C 5 -10.041 -0.168 -5.207 1.00 1.00 O ATOM 465 C5' DG C 5 -9.677 0.609 -6.347 1.00 1.00 C ATOM 466 C4' DG C 5 -8.243 0.340 -6.737 1.00 1.00 C ATOM 467 O4' DG C 5 -7.350 0.954 -5.787 1.00 1.00 O ATOM 468 C3' DG C 5 -7.823 -1.128 -6.731 1.00 1.00 C ATOM 469 O3' DG C 5 -8.129 -1.751 -7.984 1.00 1.00 O ATOM 470 C2' DG C 5 -6.320 -1.059 -6.504 1.00 1.00 C ATOM 471 C1' DG C 5 -6.082 0.330 -5.914 1.00 1.00 C ATOM 472 N9 DG C 5 -5.443 0.322 -4.599 1.00 1.00 N ATOM 473 C8 DG C 5 -5.971 -0.148 -3.421 1.00 1.00 C ATOM 474 N7 DG C 5 -5.162 -0.015 -2.403 1.00 1.00 N ATOM 475 C5 DG C 5 -4.029 0.576 -2.944 1.00 1.00 C ATOM 476 C6 DG C 5 -2.808 0.964 -2.327 1.00 1.00 C ATOM 477 O6 DG C 5 -2.473 0.844 -1.138 1.00 1.00 O ATOM 478 N1 DG C 5 -1.918 1.529 -3.236 1.00 1.00 N ATOM 479 C2 DG C 5 -2.182 1.696 -4.578 1.00 1.00 C ATOM 480 N2 DG C 5 -1.216 2.265 -5.311 1.00 1.00 N ATOM 481 N3 DG C 5 -3.312 1.338 -5.166 1.00 1.00 N ATOM 482 C4 DG C 5 -4.186 0.789 -4.297 1.00 1.00 C ATOM 0 H5' DG C 5 -9.807 1.669 -6.128 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.337 0.372 -7.181 1.00 1.00 H new ATOM 0 H4' DG C 5 -8.183 0.733 -7.752 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.340 -1.720 -5.976 1.00 1.00 H new ATOM 0 H2' DG C 5 -5.986 -1.842 -5.823 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.772 -1.193 -7.437 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.850 -2.690 -7.959 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.402 0.857 -6.583 1.00 1.00 H new ATOM 0 H8 DG C 5 -6.956 -0.584 -3.344 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.012 1.840 -2.886 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.355 2.414 -6.310 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.341 2.549 -4.870 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -7.073 -3.444 2.867 1.00 1.00 O ATOM 497 C5' DG D 1 -8.183 -2.952 3.617 1.00 1.00 C ATOM 498 C4' DG D 1 -7.793 -2.736 5.060 1.00 1.00 C ATOM 499 O4' DG D 1 -6.355 -2.577 5.125 1.00 1.00 O ATOM 500 C3' DG D 1 -8.379 -1.487 5.721 1.00 1.00 C ATOM 501 O3' DG D 1 -8.586 -1.735 7.117 1.00 1.00 O ATOM 502 C2' DG D 1 -7.289 -0.455 5.500 1.00 1.00 C ATOM 503 C1' DG D 1 -6.035 -1.293 5.640 1.00 1.00 C ATOM 504 N9 DG D 1 -4.869 -0.783 4.924 1.00 1.00 N ATOM 505 C8 DG D 1 -3.667 -0.417 5.478 1.00 1.00 C ATOM 506 N7 DG D 1 -2.797 0.005 4.602 1.00 1.00 N ATOM 507 C5 DG D 1 -3.466 -0.085 3.390 1.00 1.00 C ATOM 508 C6 DG D 1 -3.026 0.238 2.083 1.00 1.00 C ATOM 509 O6 DG D 1 -1.916 0.666 1.735 1.00 1.00 O ATOM 510 N1 DG D 1 -4.010 0.005 1.128 1.00 1.00 N ATOM 511 C2 DG D 1 -5.264 -0.487 1.414 1.00 1.00 C ATOM 512 N2 DG D 1 -6.085 -0.668 0.371 1.00 1.00 N ATOM 513 N3 DG D 1 -5.687 -0.792 2.630 1.00 1.00 N ATOM 514 C4 DG D 1 -4.744 -0.569 3.568 1.00 1.00 C ATOM 0 H5' DG D 1 -9.010 -3.660 3.560 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.535 -2.015 3.185 1.00 1.00 H new ATOM 0 H4' DG D 1 -8.183 -3.605 5.591 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.344 -1.175 5.321 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.361 0.012 4.518 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.329 0.347 6.238 1.00 1.00 H new ATOM 0 HO5' DG D 1 -6.452 -2.709 2.681 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.751 -1.291 6.692 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.462 -0.473 6.537 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.789 0.212 0.154 1.00 1.00 H new ATOM 0 H21 DG D 1 -7.027 -1.030 0.520 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.768 -0.444 -0.572 1.00 1.00 H new ATOM 527 P DG D 2 -9.285 -0.631 8.050 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.887 -1.338 9.205 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.140 0.245 7.210 1.00 1.00 O ATOM 530 O5' DG D 2 -8.070 0.240 8.592 1.00 1.00 O ATOM 531 C5' DG D 2 -7.051 -0.349 9.398 1.00 1.00 C ATOM 532 C4' DG D 2 -5.949 0.650 9.661 1.00 1.00 C ATOM 533 O4' DG D 2 -5.250 0.954 8.425 1.00 1.00 O ATOM 534 C3' DG D 2 -6.414 2.005 10.201 1.00 1.00 C ATOM 535 O3' DG D 2 -5.428 2.501 11.117 1.00 1.00 O ATOM 536 C2' DG D 2 -6.460 2.852 8.942 1.00 1.00 C ATOM 537 C1' DG D 2 -5.197 2.365 8.273 1.00 1.00 C ATOM 538 N9 DG D 2 -5.048 2.684 6.856 1.00 1.00 N ATOM 539 C8 DG D 2 -6.003 2.636 5.870 1.00 1.00 C ATOM 540 N7 DG D 2 -5.542 2.950 4.689 1.00 1.00 N ATOM 541 C5 DG D 2 -4.199 3.229 4.911 1.00 1.00 C ATOM 542 C6 DG D 2 -3.179 3.631 4.009 1.00 1.00 C ATOM 543 O6 DG D 2 -3.266 3.803 2.783 1.00 1.00 O ATOM 544 N1 DG D 2 -1.955 3.815 4.651 1.00 1.00 N ATOM 545 C2 DG D 2 -1.752 3.627 6.002 1.00 1.00 C ATOM 546 N2 DG D 2 -0.519 3.867 6.473 1.00 1.00 N ATOM 547 N3 DG D 2 -2.695 3.250 6.849 1.00 1.00 N ATOM 548 C4 DG D 2 -3.884 3.072 6.241 1.00 1.00 C ATOM 0 H5' DG D 2 -6.643 -1.227 8.897 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.476 -0.689 10.342 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.330 0.164 10.415 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.363 1.987 10.738 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.351 2.665 8.343 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.437 3.921 9.154 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.346 2.864 8.737 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.032 2.366 6.053 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.158 4.107 4.085 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.319 3.742 7.465 1.00 1.00 H new ATOM 0 H22 DG D 2 0.218 4.174 5.839 1.00 1.00 H new HETATM 560 P AZW D 3 -5.700 3.800 12.016 1.00 1.00 P HETATM 561 OP1 AZW D 3 -5.049 3.545 13.326 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.144 4.125 11.966 1.00 1.00 O HETATM 563 O5' AZW D 3 -4.892 4.954 11.276 1.00 1.00 O HETATM 564 C5' AZW D 3 -3.542 5.232 11.641 1.00 1.00 C HETATM 565 C1A AZW D 3 -2.862 6.020 10.545 1.00 1.00 C HETATM 566 C2A AZW D 3 -1.917 6.998 10.874 1.00 1.00 C HETATM 567 C6A AZW D 3 -3.139 5.745 9.199 1.00 1.00 C HETATM 568 C3A AZW D 3 -1.246 7.695 9.863 1.00 1.00 C HETATM 569 C5A AZW D 3 -2.466 6.442 8.187 1.00 1.00 C HETATM 570 C4A AZW D 3 -1.518 7.415 8.520 1.00 1.00 C HETATM 571 N5A AZW D 3 -0.809 8.097 7.510 1.00 1.00 N HETATM 572 C1B AZW D 3 1.754 9.632 3.465 1.00 1.00 C HETATM 573 C2B AZW D 3 2.197 9.606 4.799 1.00 1.00 C HETATM 574 C6B AZW D 3 0.575 8.959 3.111 1.00 1.00 C HETATM 575 C3B AZW D 3 1.465 8.914 5.764 1.00 1.00 C HETATM 576 C5B AZW D 3 -0.158 8.265 4.085 1.00 1.00 C HETATM 577 C4B AZW D 3 0.291 8.242 5.411 1.00 1.00 C HETATM 578 N5B AZW D 3 -0.431 7.541 6.397 1.00 1.00 N HETATM 579 C3' AZW D 3 2.550 10.369 2.403 1.00 1.00 C HETATM 580 O3' AZW D 3 3.278 11.456 2.967 1.00 1.00 O ATOM 593 P DG D 4 4.846 11.303 3.287 1.00 1.00 P ATOM 594 OP1 DG D 4 5.135 12.067 4.524 1.00 1.00 O ATOM 595 OP2 DG D 4 5.587 11.624 2.046 1.00 1.00 O ATOM 596 O5' DG D 4 5.037 9.755 3.603 1.00 1.00 O ATOM 597 C5' DG D 4 6.336 9.169 3.690 1.00 1.00 C ATOM 598 C4' DG D 4 6.398 8.207 4.853 1.00 1.00 C ATOM 599 O4' DG D 4 5.054 7.761 5.175 1.00 1.00 O ATOM 600 C3' DG D 4 7.214 6.935 4.603 1.00 1.00 C ATOM 601 O3' DG D 4 7.931 6.571 5.792 1.00 1.00 O ATOM 602 C2' DG D 4 6.146 5.909 4.271 1.00 1.00 C ATOM 603 C1' DG D 4 5.023 6.344 5.191 1.00 1.00 C ATOM 604 N9 DG D 4 3.686 5.894 4.809 1.00 1.00 N ATOM 605 C8 DG D 4 2.772 5.288 5.636 1.00 1.00 C ATOM 606 N7 DG D 4 1.664 4.961 5.032 1.00 1.00 N ATOM 607 C5 DG D 4 1.855 5.376 3.722 1.00 1.00 C ATOM 608 C6 DG D 4 0.991 5.282 2.604 1.00 1.00 C ATOM 609 O6 DG D 4 -0.146 4.792 2.556 1.00 1.00 O ATOM 610 N1 DG D 4 1.562 5.822 1.456 1.00 1.00 N ATOM 611 C2 DG D 4 2.818 6.382 1.404 1.00 1.00 C ATOM 612 N2 DG D 4 3.215 6.855 0.214 1.00 1.00 N ATOM 613 N3 DG D 4 3.633 6.475 2.439 1.00 1.00 N ATOM 614 C4 DG D 4 3.096 5.955 3.564 1.00 1.00 C ATOM 0 H5' DG D 4 7.087 9.949 3.814 1.00 1.00 H new ATOM 0 H5'' DG D 4 6.570 8.646 2.763 1.00 1.00 H new ATOM 0 H4' DG D 4 6.884 8.768 5.651 1.00 1.00 H new ATOM 0 H3' DG D 4 7.963 7.036 3.818 1.00 1.00 H new ATOM 0 H2' DG D 4 5.855 5.943 3.221 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.476 4.891 4.477 1.00 1.00 H new ATOM 0 H1' DG D 4 5.192 5.894 6.169 1.00 1.00 H new ATOM 0 H8 DG D 4 2.953 5.101 6.684 1.00 1.00 H new ATOM 0 H1 DG D 4 1.014 5.801 0.596 1.00 1.00 H new ATOM 0 H21 DG D 4 4.137 7.281 0.116 1.00 1.00 H new ATOM 0 H22 DG D 4 2.595 6.789 -0.594 1.00 1.00 H new ATOM 626 P DG D 5 8.886 5.278 5.809 1.00 1.00 P ATOM 627 OP1 DG D 5 9.938 5.515 6.824 1.00 1.00 O ATOM 628 OP2 DG D 5 9.284 4.967 4.414 1.00 1.00 O ATOM 629 O5' DG D 5 7.946 4.108 6.339 1.00 1.00 O ATOM 630 C5' DG D 5 7.299 4.210 7.608 1.00 1.00 C ATOM 631 C4' DG D 5 6.261 3.122 7.759 1.00 1.00 C ATOM 632 O4' DG D 5 5.222 3.306 6.777 1.00 1.00 O ATOM 633 C3' DG D 5 6.771 1.702 7.515 1.00 1.00 C ATOM 634 O3' DG D 5 7.128 1.071 8.755 1.00 1.00 O ATOM 635 C2' DG D 5 5.598 0.983 6.861 1.00 1.00 C ATOM 636 C1' DG D 5 4.550 2.069 6.636 1.00 1.00 C ATOM 637 N9 DG D 5 3.921 2.035 5.319 1.00 1.00 N ATOM 638 C8 DG D 5 4.483 2.396 4.119 1.00 1.00 C ATOM 639 N7 DG D 5 3.665 2.273 3.108 1.00 1.00 N ATOM 640 C5 DG D 5 2.490 1.799 3.675 1.00 1.00 C ATOM 641 C6 DG D 5 1.244 1.472 3.075 1.00 1.00 C ATOM 642 O6 DG D 5 0.926 1.536 1.877 1.00 1.00 O ATOM 643 N1 DG D 5 0.314 1.028 4.010 1.00 1.00 N ATOM 644 C2 DG D 5 0.566 0.914 5.359 1.00 1.00 C ATOM 645 N2 DG D 5 -0.447 0.476 6.117 1.00 1.00 N ATOM 646 N3 DG D 5 1.720 1.211 5.931 1.00 1.00 N ATOM 647 C4 DG D 5 2.633 1.647 5.038 1.00 1.00 C ATOM 0 H5' DG D 5 6.827 5.188 7.705 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.036 4.131 8.407 1.00 1.00 H new ATOM 0 H4' DG D 5 5.931 3.212 8.794 1.00 1.00 H new ATOM 0 H3' DG D 5 7.666 1.683 6.894 1.00 1.00 H new ATOM 0 H2' DG D 5 5.894 0.518 5.921 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.214 0.189 7.502 1.00 1.00 H new ATOM 0 HO3' DG D 5 7.450 0.163 8.579 1.00 1.00 H new ATOM 0 H1' DG D 5 3.746 1.916 7.356 1.00 1.00 H new ATOM 0 H8 DG D 5 5.500 2.747 4.021 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.614 0.770 3.675 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.322 0.370 7.124 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.344 0.248 5.688 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.253 -3.915 -0.776 1.00 1.00 K HETATM 662 K K A 102 -0.136 -0.428 0.005 1.00 1.00 K HETATM 663 K K C 101 -1.446 3.193 0.885 1.00 1.00 K