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 Set 1.1: A 1 DG O5' : rot -160:sc= 0 USER MOD Set 1.2: D 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 67:sc= 1.21 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -20:sc= 0.555 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -9.752 -4.197 -0.432 1.00 1.00 O ATOM 2 C5' DG A 1 -8.411 -4.157 -0.932 1.00 1.00 C ATOM 3 C4' DG A 1 -8.371 -4.275 -2.437 1.00 1.00 C ATOM 4 O4' DG A 1 -7.316 -3.425 -2.946 1.00 1.00 O ATOM 5 C3' DG A 1 -8.071 -5.680 -2.964 1.00 1.00 C ATOM 6 O3' DG A 1 -8.781 -5.930 -4.183 1.00 1.00 O ATOM 7 C2' DG A 1 -6.577 -5.646 -3.217 1.00 1.00 C ATOM 8 C1' DG A 1 -6.342 -4.203 -3.627 1.00 1.00 C ATOM 9 N9 DG A 1 -5.020 -3.687 -3.288 1.00 1.00 N ATOM 10 C8 DG A 1 -4.104 -3.150 -4.159 1.00 1.00 C ATOM 11 N7 DG A 1 -2.985 -2.799 -3.585 1.00 1.00 N ATOM 12 C5 DG A 1 -3.174 -3.125 -2.249 1.00 1.00 C ATOM 13 C6 DG A 1 -2.301 -2.974 -1.144 1.00 1.00 C ATOM 14 O6 DG A 1 -1.156 -2.499 -1.132 1.00 1.00 O ATOM 15 N1 DG A 1 -2.873 -3.432 0.041 1.00 1.00 N ATOM 16 C2 DG A 1 -4.141 -3.963 0.134 1.00 1.00 C ATOM 17 N2 DG A 1 -4.545 -4.346 1.352 1.00 1.00 N ATOM 18 N3 DG A 1 -4.964 -4.107 -0.890 1.00 1.00 N ATOM 19 C4 DG A 1 -4.421 -3.670 -2.046 1.00 1.00 C ATOM 0 H5' DG A 1 -7.833 -4.968 -0.488 1.00 1.00 H new ATOM 0 H5'' DG A 1 -7.937 -3.224 -0.628 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.370 -3.994 -2.771 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.373 -6.467 -2.273 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.009 -5.911 -2.325 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.283 -6.343 -4.002 1.00 1.00 H new ATOM 0 HO5' DG A 1 -9.777 -3.811 0.468 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.415 -4.149 -4.713 1.00 1.00 H new ATOM 0 H8 DG A 1 -4.291 -3.030 -5.216 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.318 -3.370 0.894 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.475 -4.746 1.479 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.923 -4.238 2.153 1.00 1.00 H new ATOM 32 P DG A 2 -8.841 -7.421 -4.781 1.00 1.00 P ATOM 33 OP1 DG A 2 -10.073 -7.526 -5.600 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.633 -8.380 -3.669 1.00 1.00 O ATOM 35 O5' DG A 2 -7.584 -7.512 -5.753 1.00 1.00 O ATOM 36 C5' DG A 2 -7.467 -6.652 -6.887 1.00 1.00 C ATOM 37 C4' DG A 2 -6.070 -6.714 -7.459 1.00 1.00 C ATOM 38 O4' DG A 2 -5.137 -6.150 -6.501 1.00 1.00 O ATOM 39 C3' DG A 2 -5.556 -8.125 -7.764 1.00 1.00 C ATOM 40 O3' DG A 2 -4.857 -8.130 -9.018 1.00 1.00 O ATOM 41 C2' DG A 2 -4.607 -8.394 -6.610 1.00 1.00 C ATOM 42 C1' DG A 2 -4.021 -7.016 -6.402 1.00 1.00 C ATOM 43 N9 DG A 2 -3.356 -6.806 -5.118 1.00 1.00 N ATOM 44 C8 DG A 2 -3.772 -7.235 -3.881 1.00 1.00 C ATOM 45 N7 DG A 2 -2.937 -6.940 -2.921 1.00 1.00 N ATOM 46 C5 DG A 2 -1.904 -6.273 -3.564 1.00 1.00 C ATOM 47 C6 DG A 2 -0.710 -5.714 -3.039 1.00 1.00 C ATOM 48 O6 DG A 2 -0.334 -5.683 -1.860 1.00 1.00 O ATOM 49 N1 DG A 2 0.074 -5.129 -4.031 1.00 1.00 N ATOM 50 C2 DG A 2 -0.265 -5.090 -5.365 1.00 1.00 C ATOM 51 N2 DG A 2 0.612 -4.495 -6.188 1.00 1.00 N ATOM 52 N3 DG A 2 -1.377 -5.605 -5.867 1.00 1.00 N ATOM 53 C4 DG A 2 -2.146 -6.180 -4.917 1.00 1.00 C ATOM 0 H5' DG A 2 -7.703 -5.627 -6.599 1.00 1.00 H new ATOM 0 H5'' DG A 2 -8.191 -6.944 -7.648 1.00 1.00 H new ATOM 0 H4' DG A 2 -6.130 -6.164 -8.398 1.00 1.00 H new ATOM 0 H3' DG A 2 -6.343 -8.875 -7.851 1.00 1.00 H new ATOM 0 H2' DG A 2 -5.126 -8.761 -5.724 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.847 -9.133 -6.863 1.00 1.00 H new ATOM 0 H1' DG A 2 -3.233 -6.845 -7.136 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.699 -7.765 -3.718 1.00 1.00 H new ATOM 0 H1 DG A 2 0.957 -4.702 -3.751 1.00 1.00 H new ATOM 0 H21 DG A 2 0.415 -4.436 -7.187 1.00 1.00 H new ATOM 0 H22 DG A 2 1.476 -4.102 -5.815 1.00 1.00 H new HETATM 65 P AZW A 3 -4.213 -9.482 -9.602 1.00 1.00 P HETATM 66 OP1 AZW A 3 -4.239 -9.411 -11.081 1.00 1.00 O HETATM 67 OP2 AZW A 3 -4.864 -10.626 -8.919 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.693 -9.421 -9.132 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.790 -8.481 -9.713 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.500 -8.454 -8.927 1.00 1.00 C HETATM 71 C2A AZW A 3 0.730 -8.517 -9.596 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.531 -8.348 -7.529 1.00 1.00 C HETATM 73 C3A AZW A 3 1.925 -8.473 -8.867 1.00 1.00 C HETATM 74 C5A AZW A 3 0.665 -8.302 -6.802 1.00 1.00 C HETATM 75 C4A AZW A 3 1.894 -8.363 -7.472 1.00 1.00 C HETATM 76 N5A AZW A 3 3.099 -8.286 -6.746 1.00 1.00 N HETATM 77 C1B AZW A 3 7.199 -6.760 -4.197 1.00 1.00 C HETATM 78 C2B AZW A 3 7.218 -6.795 -5.601 1.00 1.00 C HETATM 79 C6B AZW A 3 5.980 -6.876 -3.515 1.00 1.00 C HETATM 80 C3B AZW A 3 6.024 -6.939 -6.313 1.00 1.00 C HETATM 81 C5B AZW A 3 4.785 -7.019 -4.230 1.00 1.00 C HETATM 82 C4B AZW A 3 4.807 -7.049 -5.630 1.00 1.00 C HETATM 83 N5B AZW A 3 3.602 -7.155 -6.353 1.00 1.00 N HETATM 84 C3' AZW A 3 8.484 -6.579 -3.412 1.00 1.00 C HETATM 85 O3' AZW A 3 9.631 -6.820 -4.223 1.00 1.00 O ATOM 98 P DG A 4 10.524 -5.588 -4.736 1.00 1.00 P ATOM 99 OP1 DG A 4 11.535 -6.115 -5.681 1.00 1.00 O ATOM 100 OP2 DG A 4 10.968 -4.835 -3.538 1.00 1.00 O ATOM 101 O5' DG A 4 9.498 -4.685 -5.550 1.00 1.00 O ATOM 102 C5' DG A 4 9.578 -3.260 -5.523 1.00 1.00 C ATOM 103 C4' DG A 4 8.817 -2.684 -6.695 1.00 1.00 C ATOM 104 O4' DG A 4 7.501 -3.293 -6.745 1.00 1.00 O ATOM 105 C3' DG A 4 8.571 -1.175 -6.641 1.00 1.00 C ATOM 106 O3' DG A 4 8.554 -0.625 -7.966 1.00 1.00 O ATOM 107 C2' DG A 4 7.195 -1.094 -6.009 1.00 1.00 C ATOM 108 C1' DG A 4 6.505 -2.288 -6.639 1.00 1.00 C ATOM 109 N9 DG A 4 5.375 -2.823 -5.886 1.00 1.00 N ATOM 110 C8 DG A 4 4.115 -3.071 -6.377 1.00 1.00 C ATOM 111 N7 DG A 4 3.288 -3.528 -5.479 1.00 1.00 N ATOM 112 C5 DG A 4 4.048 -3.588 -4.318 1.00 1.00 C ATOM 113 C6 DG A 4 3.686 -4.007 -3.015 1.00 1.00 C ATOM 114 O6 DG A 4 2.583 -4.414 -2.625 1.00 1.00 O ATOM 115 N1 DG A 4 4.748 -3.918 -2.120 1.00 1.00 N ATOM 116 C2 DG A 4 6.006 -3.472 -2.454 1.00 1.00 C ATOM 117 N2 DG A 4 6.922 -3.466 -1.473 1.00 1.00 N ATOM 118 N3 DG A 4 6.356 -3.076 -3.667 1.00 1.00 N ATOM 119 C4 DG A 4 5.336 -3.157 -4.548 1.00 1.00 C ATOM 0 H5' DG A 4 10.620 -2.944 -5.563 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.166 -2.881 -4.588 1.00 1.00 H new ATOM 0 H4' DG A 4 9.446 -2.891 -7.561 1.00 1.00 H new ATOM 0 H3' DG A 4 9.335 -0.621 -6.095 1.00 1.00 H new ATOM 0 H2' DG A 4 7.237 -1.170 -4.922 1.00 1.00 H new ATOM 0 H2'' DG A 4 6.690 -0.157 -6.244 1.00 1.00 H new ATOM 0 H1' DG A 4 6.080 -1.969 -7.591 1.00 1.00 H new ATOM 0 H8 DG A 4 3.837 -2.903 -7.407 1.00 1.00 H new ATOM 0 H1 DG A 4 4.583 -4.202 -1.154 1.00 1.00 H new ATOM 0 H21 DG A 4 7.871 -3.145 -1.664 1.00 1.00 H new ATOM 0 H22 DG A 4 6.669 -3.782 -0.537 1.00 1.00 H new ATOM 131 P DG A 5 8.471 0.964 -8.195 1.00 1.00 P ATOM 132 OP1 DG A 5 8.988 1.254 -9.554 1.00 1.00 O ATOM 133 OP2 DG A 5 9.108 1.623 -7.030 1.00 1.00 O ATOM 134 O5' DG A 5 6.912 1.285 -8.166 1.00 1.00 O ATOM 135 C5' DG A 5 6.107 1.082 -9.325 1.00 1.00 C ATOM 136 C4' DG A 5 4.639 1.126 -8.970 1.00 1.00 C ATOM 137 O4' DG A 5 4.374 0.252 -7.853 1.00 1.00 O ATOM 138 C3' DG A 5 4.126 2.487 -8.503 1.00 1.00 C ATOM 139 O3' DG A 5 3.605 3.251 -9.595 1.00 1.00 O ATOM 140 C2' DG A 5 3.015 2.148 -7.520 1.00 1.00 C ATOM 141 C1' DG A 5 3.125 0.643 -7.309 1.00 1.00 C ATOM 142 N9 DG A 5 3.066 0.242 -5.907 1.00 1.00 N ATOM 143 C8 DG A 5 4.024 0.427 -4.939 1.00 1.00 C ATOM 144 N7 DG A 5 3.653 0.000 -3.761 1.00 1.00 N ATOM 145 C5 DG A 5 2.371 -0.495 -3.964 1.00 1.00 C ATOM 146 C6 DG A 5 1.454 -1.089 -3.052 1.00 1.00 C ATOM 147 O6 DG A 5 1.598 -1.295 -1.837 1.00 1.00 O ATOM 148 N1 DG A 5 0.261 -1.450 -3.674 1.00 1.00 N ATOM 149 C2 DG A 5 -0.006 -1.260 -5.010 1.00 1.00 C ATOM 150 N2 DG A 5 -1.206 -1.665 -5.443 1.00 1.00 N ATOM 151 N3 DG A 5 0.836 -0.710 -5.866 1.00 1.00 N ATOM 152 C4 DG A 5 1.998 -0.354 -5.282 1.00 1.00 C ATOM 0 H5' DG A 5 6.348 0.120 -9.777 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.330 1.848 -10.067 1.00 1.00 H new ATOM 0 H4' DG A 5 4.142 0.845 -9.898 1.00 1.00 H new ATOM 0 H3' DG A 5 4.918 3.092 -8.062 1.00 1.00 H new ATOM 0 H2' DG A 5 3.139 2.689 -6.582 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.038 2.421 -7.918 1.00 1.00 H new ATOM 0 HO3' DG A 5 3.283 4.116 -9.265 1.00 1.00 H new ATOM 0 H1' DG A 5 2.276 0.160 -7.793 1.00 1.00 H new ATOM 0 H8 DG A 5 4.986 0.879 -5.132 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.463 -1.884 -3.101 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.460 -1.550 -6.424 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.867 -2.089 -4.792 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.890 3.319 2.221 1.00 1.00 O ATOM 167 C5' DG B 1 8.641 2.108 2.053 1.00 1.00 C ATOM 168 C4' DG B 1 8.660 1.291 3.324 1.00 1.00 C ATOM 169 O4' DG B 1 7.311 0.864 3.635 1.00 1.00 O ATOM 170 C3' DG B 1 9.493 0.009 3.268 1.00 1.00 C ATOM 171 O3' DG B 1 10.097 -0.227 4.547 1.00 1.00 O ATOM 172 C2' DG B 1 8.455 -1.052 2.950 1.00 1.00 C ATOM 173 C1' DG B 1 7.275 -0.549 3.751 1.00 1.00 C ATOM 174 N9 DG B 1 5.958 -1.010 3.317 1.00 1.00 N ATOM 175 C8 DG B 1 4.999 -1.575 4.120 1.00 1.00 C ATOM 176 N7 DG B 1 3.886 -1.836 3.495 1.00 1.00 N ATOM 177 C5 DG B 1 4.123 -1.425 2.193 1.00 1.00 C ATOM 178 C6 DG B 1 3.274 -1.464 1.060 1.00 1.00 C ATOM 179 O6 DG B 1 2.099 -1.857 0.999 1.00 1.00 O ATOM 180 N1 DG B 1 3.892 -0.958 -0.078 1.00 1.00 N ATOM 181 C2 DG B 1 5.177 -0.467 -0.107 1.00 1.00 C ATOM 182 N2 DG B 1 5.614 -0.005 -1.287 1.00 1.00 N ATOM 183 N3 DG B 1 5.981 -0.420 0.945 1.00 1.00 N ATOM 184 C4 DG B 1 5.396 -0.913 2.059 1.00 1.00 C ATOM 0 H5' DG B 1 9.662 2.349 1.758 1.00 1.00 H new ATOM 0 H5'' DG B 1 8.207 1.518 1.246 1.00 1.00 H new ATOM 0 H4' DG B 1 9.107 1.953 4.066 1.00 1.00 H new ATOM 0 H3' DG B 1 10.307 0.035 2.543 1.00 1.00 H new ATOM 0 H2' DG B 1 8.236 -1.108 1.884 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.772 -2.047 3.263 1.00 1.00 H new ATOM 0 HO5' DG B 1 8.356 3.908 2.850 1.00 1.00 H new ATOM 0 H1' DG B 1 7.382 -0.937 4.764 1.00 1.00 H new ATOM 0 H8 DG B 1 5.152 -1.783 5.169 1.00 1.00 H new ATOM 0 H1 DG B 1 3.358 -0.950 -0.947 1.00 1.00 H new ATOM 0 H21 DG B 1 6.558 0.371 -1.369 1.00 1.00 H new ATOM 0 H22 DG B 1 5.002 -0.030 -2.103 1.00 1.00 H new ATOM 197 P DG B 2 11.233 -1.348 4.722 1.00 1.00 P ATOM 198 OP1 DG B 2 12.024 -0.986 5.922 1.00 1.00 O ATOM 199 OP2 DG B 2 11.925 -1.530 3.426 1.00 1.00 O ATOM 200 O5' DG B 2 10.419 -2.672 5.057 1.00 1.00 O ATOM 201 C5' DG B 2 9.795 -2.827 6.329 1.00 1.00 C ATOM 202 C4' DG B 2 8.968 -4.091 6.361 1.00 1.00 C ATOM 203 O4' DG B 2 7.823 -3.934 5.486 1.00 1.00 O ATOM 204 C3' DG B 2 9.693 -5.352 5.880 1.00 1.00 C ATOM 205 O3' DG B 2 9.379 -6.461 6.732 1.00 1.00 O ATOM 206 C2' DG B 2 9.115 -5.571 4.496 1.00 1.00 C ATOM 207 C1' DG B 2 7.690 -5.114 4.718 1.00 1.00 C ATOM 208 N9 DG B 2 6.926 -4.826 3.509 1.00 1.00 N ATOM 209 C8 DG B 2 7.395 -4.361 2.303 1.00 1.00 C ATOM 210 N7 DG B 2 6.473 -4.293 1.383 1.00 1.00 N ATOM 211 C5 DG B 2 5.320 -4.734 2.019 1.00 1.00 C ATOM 212 C6 DG B 2 3.996 -4.879 1.527 1.00 1.00 C ATOM 213 O6 DG B 2 3.570 -4.642 0.387 1.00 1.00 O ATOM 214 N1 DG B 2 3.128 -5.358 2.505 1.00 1.00 N ATOM 215 C2 DG B 2 3.503 -5.652 3.798 1.00 1.00 C ATOM 216 N2 DG B 2 2.541 -6.084 4.625 1.00 1.00 N ATOM 217 N3 DG B 2 4.731 -5.522 4.267 1.00 1.00 N ATOM 218 C4 DG B 2 5.583 -5.060 3.331 1.00 1.00 C ATOM 0 H5' DG B 2 9.161 -1.965 6.537 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.553 -2.861 7.111 1.00 1.00 H new ATOM 0 H4' DG B 2 8.710 -4.227 7.411 1.00 1.00 H new ATOM 0 H3' DG B 2 10.779 -5.256 5.885 1.00 1.00 H new ATOM 0 H2' DG B 2 9.626 -4.981 3.735 1.00 1.00 H new ATOM 0 H2'' DG B 2 9.172 -6.613 4.183 1.00 1.00 H new ATOM 0 H1' DG B 2 7.126 -5.917 5.194 1.00 1.00 H new ATOM 0 H8 DG B 2 8.424 -4.080 2.134 1.00 1.00 H new ATOM 0 H1 DG B 2 2.151 -5.500 2.248 1.00 1.00 H new ATOM 0 H21 DG B 2 2.766 -6.315 5.593 1.00 1.00 H new ATOM 0 H22 DG B 2 1.584 -6.181 4.287 1.00 1.00 H new HETATM 230 P AZW B 3 10.398 -7.696 6.859 1.00 1.00 P HETATM 231 OP1 AZW B 3 11.247 -7.485 8.055 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.037 -7.896 5.536 1.00 1.00 O HETATM 233 O5' AZW B 3 9.467 -8.958 7.133 1.00 1.00 O HETATM 234 C5' AZW B 3 8.194 -8.825 7.761 1.00 1.00 C HETATM 235 C1A AZW B 3 7.094 -8.926 6.728 1.00 1.00 C HETATM 236 C2A AZW B 3 5.795 -8.507 7.053 1.00 1.00 C HETATM 237 C6A AZW B 3 7.357 -9.460 5.456 1.00 1.00 C HETATM 238 C3A AZW B 3 4.763 -8.627 6.116 1.00 1.00 C HETATM 239 C5A AZW B 3 6.323 -9.580 4.521 1.00 1.00 C HETATM 240 C4A AZW B 3 5.025 -9.167 4.851 1.00 1.00 C HETATM 241 N5A AZW B 3 3.974 -9.341 3.926 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.227 -10.815 1.504 1.00 1.00 C HETATM 243 C2B AZW B 3 0.013 -11.703 2.563 1.00 1.00 C HETATM 244 C6B AZW B 3 0.613 -9.710 1.316 1.00 1.00 C HETATM 245 C3B AZW B 3 1.086 -11.485 3.429 1.00 1.00 C HETATM 246 C5B AZW B 3 1.690 -9.492 2.185 1.00 1.00 C HETATM 247 C4B AZW B 3 1.925 -10.382 3.246 1.00 1.00 C HETATM 248 N5B AZW B 3 2.996 -10.170 4.140 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.399 -11.039 0.572 1.00 1.00 C HETATM 250 O3' AZW B 3 -1.974 -12.327 0.776 1.00 1.00 O ATOM 263 P DG B 4 -3.303 -12.511 1.660 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.120 -13.709 2.515 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.458 -12.445 0.735 1.00 1.00 O ATOM 266 O5' DG B 4 -3.350 -11.237 2.613 1.00 1.00 O ATOM 267 C5' DG B 4 -4.552 -10.879 3.296 1.00 1.00 C ATOM 268 C4' DG B 4 -4.232 -10.482 4.718 1.00 1.00 C ATOM 269 O4' DG B 4 -2.891 -9.935 4.764 1.00 1.00 O ATOM 270 C3' DG B 4 -5.123 -9.397 5.322 1.00 1.00 C ATOM 271 O3' DG B 4 -5.150 -9.537 6.750 1.00 1.00 O ATOM 272 C2' DG B 4 -4.388 -8.135 4.914 1.00 1.00 C ATOM 273 C1' DG B 4 -2.951 -8.565 5.144 1.00 1.00 C ATOM 274 N9 DG B 4 -1.941 -7.833 4.385 1.00 1.00 N ATOM 275 C8 DG B 4 -0.778 -7.312 4.893 1.00 1.00 C ATOM 276 N7 DG B 4 -0.031 -6.736 3.992 1.00 1.00 N ATOM 277 C5 DG B 4 -0.746 -6.882 2.813 1.00 1.00 C ATOM 278 C6 DG B 4 -0.431 -6.453 1.503 1.00 1.00 C ATOM 279 O6 DG B 4 0.580 -5.847 1.126 1.00 1.00 O ATOM 280 N1 DG B 4 -1.419 -6.795 0.585 1.00 1.00 N ATOM 281 C2 DG B 4 -2.572 -7.472 0.908 1.00 1.00 C ATOM 282 N2 DG B 4 -3.416 -7.731 -0.104 1.00 1.00 N ATOM 283 N3 DG B 4 -2.879 -7.877 2.130 1.00 1.00 N ATOM 284 C4 DG B 4 -1.929 -7.554 3.032 1.00 1.00 C ATOM 0 H5' DG B 4 -5.248 -11.718 3.291 1.00 1.00 H new ATOM 0 H5'' DG B 4 -5.043 -10.054 2.780 1.00 1.00 H new ATOM 0 H4' DG B 4 -4.377 -11.399 5.290 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.162 -9.422 4.994 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.578 -7.862 3.876 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.667 -7.277 5.525 1.00 1.00 H new ATOM 0 H1' DG B 4 -2.714 -8.367 6.189 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.507 -7.373 5.937 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.279 -6.527 -0.389 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.288 -8.230 0.074 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.185 -7.428 -1.050 1.00 1.00 H new ATOM 296 P DG B 5 -6.125 -8.630 7.646 1.00 1.00 P ATOM 297 OP1 DG B 5 -6.212 -9.281 8.976 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.363 -8.377 6.873 1.00 1.00 O ATOM 299 O5' DG B 5 -5.337 -7.259 7.825 1.00 1.00 O ATOM 300 C5' DG B 5 -4.337 -7.143 8.835 1.00 1.00 C ATOM 301 C4' DG B 5 -3.581 -5.840 8.709 1.00 1.00 C ATOM 302 O4' DG B 5 -2.962 -5.749 7.412 1.00 1.00 O ATOM 303 C3' DG B 5 -4.430 -4.573 8.803 1.00 1.00 C ATOM 304 O3' DG B 5 -4.457 -4.076 10.146 1.00 1.00 O ATOM 305 C2' DG B 5 -3.725 -3.582 7.884 1.00 1.00 C ATOM 306 C1' DG B 5 -2.601 -4.393 7.243 1.00 1.00 C ATOM 307 N9 DG B 5 -2.388 -4.137 5.821 1.00 1.00 N ATOM 308 C8 DG B 5 -3.298 -4.284 4.802 1.00 1.00 C ATOM 309 N7 DG B 5 -2.826 -3.938 3.635 1.00 1.00 N ATOM 310 C5 DG B 5 -1.522 -3.538 3.895 1.00 1.00 C ATOM 311 C6 DG B 5 -0.514 -3.056 3.016 1.00 1.00 C ATOM 312 O6 DG B 5 -0.585 -2.865 1.789 1.00 1.00 O ATOM 313 N1 DG B 5 0.668 -2.767 3.691 1.00 1.00 N ATOM 314 C2 DG B 5 0.847 -2.923 5.046 1.00 1.00 C ATOM 315 N2 DG B 5 2.053 -2.592 5.526 1.00 1.00 N ATOM 316 N3 DG B 5 -0.082 -3.370 5.876 1.00 1.00 N ATOM 317 C4 DG B 5 -1.236 -3.657 5.239 1.00 1.00 C ATOM 0 H5' DG B 5 -3.641 -7.979 8.759 1.00 1.00 H new ATOM 0 H5'' DG B 5 -4.802 -7.203 9.819 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.886 -5.874 9.548 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.468 -4.747 8.519 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.406 -3.183 7.132 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.333 -2.732 8.442 1.00 1.00 H new ATOM 0 HO3' DG B 5 -5.004 -3.264 10.183 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.664 -4.113 7.724 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.303 -4.649 4.952 1.00 1.00 H new ATOM 0 H1 DG B 5 1.454 -2.416 3.144 1.00 1.00 H new ATOM 0 H21 DG B 5 2.248 -2.685 6.523 1.00 1.00 H new ATOM 0 H22 DG B 5 2.776 -2.247 4.895 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.776 2.665 -3.180 1.00 1.00 O ATOM 332 C5' DG C 1 7.299 3.908 -3.646 1.00 1.00 C ATOM 333 C4' DG C 1 6.543 4.381 -4.865 1.00 1.00 C ATOM 334 O4' DG C 1 5.266 3.699 -4.897 1.00 1.00 O ATOM 335 C3' DG C 1 6.222 5.877 -4.900 1.00 1.00 C ATOM 336 O3' DG C 1 6.273 6.356 -6.251 1.00 1.00 O ATOM 337 C2' DG C 1 4.805 5.932 -4.359 1.00 1.00 C ATOM 338 C1' DG C 1 4.215 4.651 -4.915 1.00 1.00 C ATOM 339 N9 DG C 1 3.088 4.101 -4.166 1.00 1.00 N ATOM 340 C8 DG C 1 1.841 3.818 -4.668 1.00 1.00 C ATOM 341 N7 DG C 1 1.036 3.287 -3.790 1.00 1.00 N ATOM 342 C5 DG C 1 1.794 3.217 -2.630 1.00 1.00 C ATOM 343 C6 DG C 1 1.442 2.731 -1.347 1.00 1.00 C ATOM 344 O6 DG C 1 0.369 2.216 -0.993 1.00 1.00 O ATOM 345 N1 DG C 1 2.490 2.843 -0.440 1.00 1.00 N ATOM 346 C2 DG C 1 3.731 3.356 -0.748 1.00 1.00 C ATOM 347 N2 DG C 1 4.636 3.371 0.244 1.00 1.00 N ATOM 348 N3 DG C 1 4.073 3.811 -1.947 1.00 1.00 N ATOM 349 C4 DG C 1 3.062 3.715 -2.837 1.00 1.00 C ATOM 0 H5' DG C 1 8.356 3.796 -3.888 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.231 4.656 -2.856 1.00 1.00 H new ATOM 0 H4' DG C 1 7.198 4.167 -5.710 1.00 1.00 H new ATOM 0 H3' DG C 1 6.919 6.492 -4.330 1.00 1.00 H new ATOM 0 H2' DG C 1 4.783 5.954 -3.269 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.268 6.815 -4.706 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.871 2.537 -3.535 1.00 1.00 H new ATOM 0 H1' DG C 1 3.817 4.876 -5.905 1.00 1.00 H new ATOM 0 H8 DG C 1 1.555 4.016 -5.690 1.00 1.00 H new ATOM 0 H1 DG C 1 2.330 2.525 0.516 1.00 1.00 H new ATOM 0 H21 DG C 1 5.572 3.739 0.075 1.00 1.00 H new ATOM 0 H22 DG C 1 4.387 3.014 1.167 1.00 1.00 H new ATOM 362 P DG C 2 6.202 7.929 -6.577 1.00 1.00 P ATOM 363 OP1 DG C 2 6.922 8.179 -7.847 1.00 1.00 O ATOM 364 OP2 DG C 2 6.596 8.674 -5.357 1.00 1.00 O ATOM 365 O5' DG C 2 4.658 8.200 -6.846 1.00 1.00 O ATOM 366 C5' DG C 2 4.024 7.645 -7.996 1.00 1.00 C ATOM 367 C4' DG C 2 2.534 7.882 -7.941 1.00 1.00 C ATOM 368 O4' DG C 2 1.976 7.133 -6.832 1.00 1.00 O ATOM 369 C3' DG C 2 2.115 9.335 -7.707 1.00 1.00 C ATOM 370 O3' DG C 2 0.913 9.610 -8.434 1.00 1.00 O ATOM 371 C2' DG C 2 1.848 9.359 -6.215 1.00 1.00 C ATOM 372 C1' DG C 2 1.182 8.013 -6.056 1.00 1.00 C ATOM 373 N9 DG C 2 1.087 7.503 -4.692 1.00 1.00 N ATOM 374 C8 DG C 2 1.969 7.681 -3.654 1.00 1.00 C ATOM 375 N7 DG C 2 1.569 7.131 -2.539 1.00 1.00 N ATOM 376 C5 DG C 2 0.347 6.554 -2.863 1.00 1.00 C ATOM 377 C6 DG C 2 -0.568 5.818 -2.065 1.00 1.00 C ATOM 378 O6 DG C 2 -0.465 5.507 -0.869 1.00 1.00 O ATOM 379 N1 DG C 2 -1.688 5.416 -2.789 1.00 1.00 N ATOM 380 C2 DG C 2 -1.890 5.698 -4.122 1.00 1.00 C ATOM 381 N2 DG C 2 -3.012 5.226 -4.675 1.00 1.00 N ATOM 382 N3 DG C 2 -1.048 6.380 -4.875 1.00 1.00 N ATOM 383 C4 DG C 2 0.040 6.776 -4.186 1.00 1.00 C ATOM 0 H5' DG C 2 4.227 6.575 -8.050 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.437 8.094 -8.899 1.00 1.00 H new ATOM 0 H4' DG C 2 2.169 7.575 -8.921 1.00 1.00 H new ATOM 0 H3' DG C 2 2.852 10.071 -8.028 1.00 1.00 H new ATOM 0 H2' DG C 2 2.762 9.445 -5.628 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.200 10.184 -5.919 1.00 1.00 H new ATOM 0 H1' DG C 2 0.142 8.101 -6.369 1.00 1.00 H new ATOM 0 H8 DG C 2 2.899 8.221 -3.750 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.404 4.878 -2.301 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.210 5.406 -5.659 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.669 4.686 -4.113 1.00 1.00 H new HETATM 395 P AZW C 3 0.545 11.109 -8.879 1.00 1.00 P HETATM 396 OP1 AZW C 3 0.954 11.290 -10.290 1.00 1.00 O HETATM 397 OP2 AZW C 3 1.073 12.031 -7.844 1.00 1.00 O HETATM 398 O5' AZW C 3 -1.045 11.152 -8.810 1.00 1.00 O HETATM 399 C5' AZW C 3 -1.834 10.037 -9.222 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.582 9.459 -8.036 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.679 8.613 -8.257 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.195 9.769 -6.720 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.386 8.083 -7.175 1.00 1.00 C HETATM 404 C5A AZW C 3 -2.907 9.237 -5.635 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.004 8.393 -5.865 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.727 7.854 -4.778 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.357 6.927 -0.578 1.00 1.00 C HETATM 408 C2B AZW C 3 -7.893 6.925 -1.872 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.086 7.475 -0.351 1.00 1.00 C HETATM 410 C3B AZW C 3 -7.165 7.469 -2.935 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.355 8.017 -1.416 1.00 1.00 C HETATM 412 C4B AZW C 3 -5.896 8.015 -2.709 1.00 1.00 C HETATM 413 N5B AZW C 3 -5.169 8.568 -3.786 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.136 6.319 0.570 1.00 1.00 C HETATM 415 O3' AZW C 3 -9.516 6.663 0.497 1.00 1.00 O ATOM 428 P DG C 4 -10.605 5.497 0.327 1.00 1.00 P ATOM 429 OP1 DG C 4 -11.908 6.142 0.029 1.00 1.00 O ATOM 430 OP2 DG C 4 -10.497 4.582 1.490 1.00 1.00 O ATOM 431 O5' DG C 4 -10.133 4.722 -0.979 1.00 1.00 O ATOM 432 C5' DG C 4 -10.791 3.539 -1.426 1.00 1.00 C ATOM 433 C4' DG C 4 -10.732 3.471 -2.934 1.00 1.00 C ATOM 434 O4' DG C 4 -9.516 4.118 -3.385 1.00 1.00 O ATOM 435 C3' DG C 4 -10.666 2.068 -3.536 1.00 1.00 C ATOM 436 O3' DG C 4 -11.138 2.110 -4.893 1.00 1.00 O ATOM 437 C2' DG C 4 -9.176 1.787 -3.482 1.00 1.00 C ATOM 438 C1' DG C 4 -8.616 3.137 -3.893 1.00 1.00 C ATOM 439 N9 DG C 4 -7.278 3.443 -3.399 1.00 1.00 N ATOM 440 C8 DG C 4 -6.229 3.909 -4.153 1.00 1.00 C ATOM 441 N7 DG C 4 -5.153 4.142 -3.455 1.00 1.00 N ATOM 442 C5 DG C 4 -5.508 3.806 -2.158 1.00 1.00 C ATOM 443 C6 DG C 4 -4.741 3.855 -0.971 1.00 1.00 C ATOM 444 O6 DG C 4 -3.559 4.203 -0.841 1.00 1.00 O ATOM 445 N1 DG C 4 -5.466 3.432 0.139 1.00 1.00 N ATOM 446 C2 DG C 4 -6.775 3.010 0.092 1.00 1.00 C ATOM 447 N2 DG C 4 -7.324 2.635 1.259 1.00 1.00 N ATOM 448 N3 DG C 4 -7.502 2.959 -1.013 1.00 1.00 N ATOM 449 C4 DG C 4 -6.814 3.370 -2.099 1.00 1.00 C ATOM 0 H5' DG C 4 -11.828 3.538 -1.091 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.315 2.659 -0.992 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.661 3.941 -3.257 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.269 1.315 -3.028 1.00 1.00 H new ATOM 0 H2' DG C 4 -8.848 1.489 -2.486 1.00 1.00 H new ATOM 0 H2'' DG C 4 -8.881 0.992 -4.166 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.522 3.127 -4.979 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.290 4.067 -5.220 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.997 3.435 1.045 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.291 2.313 1.287 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.774 2.673 2.117 1.00 1.00 H new ATOM 461 P DG C 5 -11.316 0.769 -5.760 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.095 1.110 -6.975 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.821 -0.291 -4.855 1.00 1.00 O ATOM 464 O5' DG C 5 -9.843 0.382 -6.217 1.00 1.00 O ATOM 465 C5' DG C 5 -9.202 1.092 -7.275 1.00 1.00 C ATOM 466 C4' DG C 5 -7.746 0.702 -7.371 1.00 1.00 C ATOM 467 O4' DG C 5 -7.047 1.115 -6.179 1.00 1.00 O ATOM 468 C3' DG C 5 -7.478 -0.801 -7.479 1.00 1.00 C ATOM 469 O3' DG C 5 -7.174 -1.158 -8.831 1.00 1.00 O ATOM 470 C2' DG C 5 -6.277 -1.047 -6.575 1.00 1.00 C ATOM 471 C1' DG C 5 -5.863 0.348 -6.124 1.00 1.00 C ATOM 472 N9 DG C 5 -5.312 0.423 -4.774 1.00 1.00 N ATOM 473 C8 DG C 5 -5.886 -0.024 -3.607 1.00 1.00 C ATOM 474 N7 DG C 5 -5.124 0.141 -2.559 1.00 1.00 N ATOM 475 C5 DG C 5 -3.975 0.735 -3.064 1.00 1.00 C ATOM 476 C6 DG C 5 -2.785 1.152 -2.402 1.00 1.00 C ATOM 477 O6 DG C 5 -2.497 1.060 -1.197 1.00 1.00 O ATOM 478 N1 DG C 5 -1.866 1.709 -3.288 1.00 1.00 N ATOM 479 C2 DG C 5 -2.076 1.844 -4.642 1.00 1.00 C ATOM 480 N2 DG C 5 -1.091 2.415 -5.344 1.00 1.00 N ATOM 481 N3 DG C 5 -3.175 1.460 -5.269 1.00 1.00 N ATOM 482 C4 DG C 5 -4.077 0.918 -4.426 1.00 1.00 C ATOM 0 H5' DG C 5 -9.286 2.165 -7.103 1.00 1.00 H new ATOM 0 H5'' DG C 5 -9.704 0.880 -8.219 1.00 1.00 H new ATOM 0 H4' DG C 5 -7.407 1.190 -8.285 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.341 -1.398 -7.185 1.00 1.00 H new ATOM 0 H2' DG C 5 -6.539 -1.679 -5.727 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.471 -1.549 -7.110 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.003 -2.122 -8.884 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.059 0.700 -6.771 1.00 1.00 H new ATOM 0 H8 DG C 5 -6.870 -0.468 -3.562 1.00 1.00 H new ATOM 0 H1 DG C 5 -0.978 2.039 -2.909 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.190 2.542 -6.351 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.241 2.724 -4.872 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -8.825 -4.226 3.248 1.00 1.00 O ATOM 497 C5' DG D 1 -8.115 -3.003 3.475 1.00 1.00 C ATOM 498 C4' DG D 1 -7.751 -2.829 4.932 1.00 1.00 C ATOM 499 O4' DG D 1 -6.323 -2.617 5.038 1.00 1.00 O ATOM 500 C3' DG D 1 -8.393 -1.626 5.620 1.00 1.00 C ATOM 501 O3' DG D 1 -8.561 -1.891 7.018 1.00 1.00 O ATOM 502 C2' DG D 1 -7.356 -0.541 5.398 1.00 1.00 C ATOM 503 C1' DG D 1 -6.066 -1.323 5.568 1.00 1.00 C ATOM 504 N9 DG D 1 -4.902 -0.767 4.884 1.00 1.00 N ATOM 505 C8 DG D 1 -3.716 -0.397 5.470 1.00 1.00 C ATOM 506 N7 DG D 1 -2.843 0.074 4.622 1.00 1.00 N ATOM 507 C5 DG D 1 -3.493 0.014 3.397 1.00 1.00 C ATOM 508 C6 DG D 1 -3.041 0.392 2.107 1.00 1.00 C ATOM 509 O6 DG D 1 -1.941 0.866 1.789 1.00 1.00 O ATOM 510 N1 DG D 1 -4.005 0.172 1.130 1.00 1.00 N ATOM 511 C2 DG D 1 -5.252 -0.356 1.375 1.00 1.00 C ATOM 512 N2 DG D 1 -6.052 -0.514 0.310 1.00 1.00 N ATOM 513 N3 DG D 1 -5.687 -0.713 2.575 1.00 1.00 N ATOM 514 C4 DG D 1 -4.763 -0.504 3.536 1.00 1.00 C ATOM 0 H5' DG D 1 -8.727 -2.162 3.150 1.00 1.00 H new ATOM 0 H5'' DG D 1 -7.209 -2.991 2.870 1.00 1.00 H new ATOM 0 H4' DG D 1 -8.111 -3.735 5.419 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.382 -1.368 5.240 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.437 -0.092 4.408 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.445 0.268 6.124 1.00 1.00 H new ATOM 0 HO5' DG D 1 -9.046 -4.304 2.296 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.807 -1.307 6.627 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.525 -0.487 6.529 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.773 0.418 0.168 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.988 -0.901 0.428 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.724 -0.247 -0.618 1.00 1.00 H new ATOM 527 P DG D 2 -9.489 -0.952 7.932 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.766 -1.704 9.177 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.623 -0.460 7.119 1.00 1.00 O ATOM 530 O5' DG D 2 -8.559 0.286 8.299 1.00 1.00 O ATOM 531 C5' DG D 2 -7.519 0.153 9.267 1.00 1.00 C ATOM 532 C4' DG D 2 -6.642 1.384 9.276 1.00 1.00 C ATOM 533 O4' DG D 2 -5.892 1.447 8.038 1.00 1.00 O ATOM 534 C3' DG D 2 -7.395 2.715 9.389 1.00 1.00 C ATOM 535 O3' DG D 2 -6.864 3.489 10.474 1.00 1.00 O ATOM 536 C2' DG D 2 -7.144 3.391 8.049 1.00 1.00 C ATOM 537 C1' DG D 2 -5.809 2.801 7.642 1.00 1.00 C ATOM 538 N9 DG D 2 -5.514 2.870 6.214 1.00 1.00 N ATOM 539 C8 DG D 2 -6.390 2.673 5.172 1.00 1.00 C ATOM 540 N7 DG D 2 -5.858 2.887 4.000 1.00 1.00 N ATOM 541 C5 DG D 2 -4.548 3.246 4.281 1.00 1.00 C ATOM 542 C6 DG D 2 -3.488 3.596 3.406 1.00 1.00 C ATOM 543 O6 DG D 2 -3.503 3.645 2.169 1.00 1.00 O ATOM 544 N1 DG D 2 -2.314 3.893 4.096 1.00 1.00 N ATOM 545 C2 DG D 2 -2.191 3.851 5.466 1.00 1.00 C ATOM 546 N2 DG D 2 -0.988 4.161 5.975 1.00 1.00 N ATOM 547 N3 DG D 2 -3.171 3.524 6.294 1.00 1.00 N ATOM 548 C4 DG D 2 -4.317 3.236 5.639 1.00 1.00 C ATOM 0 H5' DG D 2 -6.917 -0.728 9.044 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.952 0.001 10.256 1.00 1.00 H new ATOM 0 H4' DG D 2 -6.018 1.275 10.163 1.00 1.00 H new ATOM 0 H3' DG D 2 -8.459 2.595 9.594 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.927 3.165 7.325 1.00 1.00 H new ATOM 0 H2'' DG D 2 -7.099 4.476 8.142 1.00 1.00 H new ATOM 0 H1' DG D 2 -5.005 3.369 8.110 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.418 2.371 5.310 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.494 4.158 3.551 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.842 4.146 6.984 1.00 1.00 H new ATOM 0 H22 DG D 2 -0.220 4.412 5.352 1.00 1.00 H new HETATM 560 P AZW D 3 -7.413 4.966 10.787 1.00 1.00 P HETATM 561 OP1 AZW D 3 -7.373 5.153 12.257 1.00 1.00 O HETATM 562 OP2 AZW D 3 -8.692 5.171 10.068 1.00 1.00 O HETATM 563 O5' AZW D 3 -6.318 5.924 10.143 1.00 1.00 O HETATM 564 C5' AZW D 3 -4.930 5.714 10.389 1.00 1.00 C HETATM 565 C1A AZW D 3 -4.108 6.419 9.331 1.00 1.00 C HETATM 566 C2A AZW D 3 -2.783 6.777 9.613 1.00 1.00 C HETATM 567 C6A AZW D 3 -4.663 6.718 8.075 1.00 1.00 C HETATM 568 C3A AZW D 3 -2.015 7.434 8.646 1.00 1.00 C HETATM 569 C5A AZW D 3 -3.891 7.378 7.110 1.00 1.00 C HETATM 570 C4A AZW D 3 -2.569 7.737 7.396 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.795 8.421 6.435 1.00 1.00 N HETATM 572 C1B AZW D 3 1.695 10.051 3.183 1.00 1.00 C HETATM 573 C2B AZW D 3 1.892 10.278 4.554 1.00 1.00 C HETATM 574 C6B AZW D 3 0.717 9.135 2.762 1.00 1.00 C HETATM 575 C3B AZW D 3 1.116 9.593 5.496 1.00 1.00 C HETATM 576 C5B AZW D 3 -0.060 8.453 3.706 1.00 1.00 C HETATM 577 C4B AZW D 3 0.140 8.682 5.073 1.00 1.00 C HETATM 578 N5B AZW D 3 -0.638 7.995 6.025 1.00 1.00 N HETATM 579 C3' AZW D 3 2.530 10.783 2.152 1.00 1.00 C HETATM 580 O3' AZW D 3 3.464 11.661 2.771 1.00 1.00 O ATOM 593 P DG D 4 5.019 11.269 2.822 1.00 1.00 P ATOM 594 OP1 DG D 4 5.725 12.268 3.657 1.00 1.00 O ATOM 595 OP2 DG D 4 5.465 11.049 1.426 1.00 1.00 O ATOM 596 O5' DG D 4 5.046 9.872 3.582 1.00 1.00 O ATOM 597 C5' DG D 4 6.035 8.891 3.274 1.00 1.00 C ATOM 598 C4' DG D 4 6.295 8.028 4.485 1.00 1.00 C ATOM 599 O4' DG D 4 5.022 7.578 5.012 1.00 1.00 O ATOM 600 C3' DG D 4 7.112 6.762 4.221 1.00 1.00 C ATOM 601 O3' DG D 4 7.910 6.436 5.366 1.00 1.00 O ATOM 602 C2' DG D 4 6.036 5.717 3.988 1.00 1.00 C ATOM 603 C1' DG D 4 4.951 6.159 4.957 1.00 1.00 C ATOM 604 N9 DG D 4 3.594 5.776 4.581 1.00 1.00 N ATOM 605 C8 DG D 4 2.678 5.143 5.386 1.00 1.00 C ATOM 606 N7 DG D 4 1.551 4.881 4.783 1.00 1.00 N ATOM 607 C5 DG D 4 1.731 5.373 3.499 1.00 1.00 C ATOM 608 C6 DG D 4 0.845 5.370 2.394 1.00 1.00 C ATOM 609 O6 DG D 4 -0.303 4.910 2.339 1.00 1.00 O ATOM 610 N1 DG D 4 1.408 5.966 1.270 1.00 1.00 N ATOM 611 C2 DG D 4 2.677 6.499 1.228 1.00 1.00 C ATOM 612 N2 DG D 4 3.054 7.059 0.067 1.00 1.00 N ATOM 613 N3 DG D 4 3.513 6.507 2.253 1.00 1.00 N ATOM 614 C4 DG D 4 2.982 5.930 3.353 1.00 1.00 C ATOM 0 H5' DG D 4 6.958 9.378 2.959 1.00 1.00 H new ATOM 0 H5'' DG D 4 5.700 8.273 2.441 1.00 1.00 H new ATOM 0 H4' DG D 4 6.869 8.658 5.165 1.00 1.00 H new ATOM 0 H3' DG D 4 7.810 6.852 3.389 1.00 1.00 H new ATOM 0 H2' DG D 4 5.685 5.716 2.956 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.392 4.710 4.205 1.00 1.00 H new ATOM 0 H1' DG D 4 5.136 5.664 5.910 1.00 1.00 H new ATOM 0 H8 DG D 4 2.872 4.887 6.417 1.00 1.00 H new ATOM 0 H1 DG D 4 0.844 6.011 0.421 1.00 1.00 H new ATOM 0 H21 DG D 4 3.983 7.470 -0.023 1.00 1.00 H new ATOM 0 H22 DG D 4 2.411 7.073 -0.725 1.00 1.00 H new ATOM 626 P DG D 5 8.868 5.146 5.357 1.00 1.00 P ATOM 627 OP1 DG D 5 9.964 5.416 6.319 1.00 1.00 O ATOM 628 OP2 DG D 5 9.199 4.811 3.952 1.00 1.00 O ATOM 629 O5' DG D 5 7.962 3.981 5.952 1.00 1.00 O ATOM 630 C5' DG D 5 7.505 4.025 7.305 1.00 1.00 C ATOM 631 C4' DG D 5 6.478 2.943 7.553 1.00 1.00 C ATOM 632 O4' DG D 5 5.297 3.205 6.769 1.00 1.00 O ATOM 633 C3' DG D 5 6.896 1.539 7.128 1.00 1.00 C ATOM 634 O3' DG D 5 7.574 0.857 8.191 1.00 1.00 O ATOM 635 C2' DG D 5 5.579 0.854 6.801 1.00 1.00 C ATOM 636 C1' DG D 5 4.578 1.990 6.629 1.00 1.00 C ATOM 637 N9 DG D 5 3.916 2.001 5.329 1.00 1.00 N ATOM 638 C8 DG D 5 4.480 2.328 4.120 1.00 1.00 C ATOM 639 N7 DG D 5 3.643 2.251 3.120 1.00 1.00 N ATOM 640 C5 DG D 5 2.453 1.841 3.707 1.00 1.00 C ATOM 641 C6 DG D 5 1.186 1.581 3.120 1.00 1.00 C ATOM 642 O6 DG D 5 0.863 1.655 1.923 1.00 1.00 O ATOM 643 N1 DG D 5 0.245 1.186 4.068 1.00 1.00 N ATOM 644 C2 DG D 5 0.504 1.059 5.414 1.00 1.00 C ATOM 645 N2 DG D 5 -0.523 0.671 6.182 1.00 1.00 N ATOM 646 N3 DG D 5 1.681 1.297 5.974 1.00 1.00 N ATOM 647 C4 DG D 5 2.604 1.682 5.067 1.00 1.00 C ATOM 0 H5' DG D 5 7.071 5.002 7.517 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.348 3.897 7.984 1.00 1.00 H new ATOM 0 H4' DG D 5 6.331 2.968 8.633 1.00 1.00 H new ATOM 0 H3' DG D 5 7.592 1.545 6.289 1.00 1.00 H new ATOM 0 H2' DG D 5 5.659 0.257 5.892 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.276 0.178 7.601 1.00 1.00 H new ATOM 0 HO3' DG D 5 7.830 -0.041 7.893 1.00 1.00 H new ATOM 0 H1' DG D 5 3.796 1.860 7.377 1.00 1.00 H new ATOM 0 H8 DG D 5 5.514 2.620 4.007 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.699 0.977 3.743 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.394 0.559 7.188 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.434 0.488 5.761 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.134 -3.909 -0.499 1.00 1.00 K HETATM 662 K K A 102 -0.130 -0.329 0.196 1.00 1.00 K HETATM 663 K K C 101 -1.473 3.414 0.540 1.00 1.00 K