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 -72:sc= 1.1 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -59:sc= 1.24 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -18:sc= 0.594 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot 56:sc= 1.24 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.474 -3.035 -0.964 1.00 1.00 O ATOM 2 C5' DG A 1 -8.198 -4.108 -1.566 1.00 1.00 C ATOM 3 C4' DG A 1 -8.078 -4.049 -3.068 1.00 1.00 C ATOM 4 O4' DG A 1 -6.955 -3.199 -3.404 1.00 1.00 O ATOM 5 C3' DG A 1 -7.813 -5.391 -3.750 1.00 1.00 C ATOM 6 O3' DG A 1 -8.484 -5.441 -5.016 1.00 1.00 O ATOM 7 C2' DG A 1 -6.306 -5.392 -3.927 1.00 1.00 C ATOM 8 C1' DG A 1 -6.012 -3.924 -4.177 1.00 1.00 C ATOM 9 N9 DG A 1 -4.674 -3.485 -3.787 1.00 1.00 N ATOM 10 C8 DG A 1 -3.711 -2.962 -4.616 1.00 1.00 C ATOM 11 N7 DG A 1 -2.600 -2.667 -3.997 1.00 1.00 N ATOM 12 C5 DG A 1 -2.843 -3.016 -2.675 1.00 1.00 C ATOM 13 C6 DG A 1 -2.001 -2.925 -1.536 1.00 1.00 C ATOM 14 O6 DG A 1 -0.838 -2.498 -1.474 1.00 1.00 O ATOM 15 N1 DG A 1 -2.627 -3.386 -0.382 1.00 1.00 N ATOM 16 C2 DG A 1 -3.915 -3.872 -0.341 1.00 1.00 C ATOM 17 N2 DG A 1 -4.374 -4.259 0.859 1.00 1.00 N ATOM 18 N3 DG A 1 -4.709 -3.962 -1.396 1.00 1.00 N ATOM 19 C4 DG A 1 -4.116 -3.521 -2.526 1.00 1.00 C ATOM 0 H5' DG A 1 -9.248 -4.054 -1.277 1.00 1.00 H new ATOM 0 H5'' DG A 1 -7.816 -5.062 -1.202 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.042 -3.683 -3.421 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.172 -6.251 -3.185 1.00 1.00 H new ATOM 0 H2' DG A 1 -5.792 -5.765 -3.041 1.00 1.00 H new ATOM 0 H2'' DG A 1 -5.995 -6.018 -4.763 1.00 1.00 H new ATOM 0 HO5' DG A 1 -6.512 -3.202 -1.047 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.075 -3.753 -5.252 1.00 1.00 H new ATOM 0 H8 DG A 1 -3.859 -2.810 -5.675 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.098 -3.362 0.490 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.321 -4.627 0.948 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.776 -4.185 1.682 1.00 1.00 H new ATOM 32 P DG A 2 -8.690 -6.841 -5.777 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.757 -6.642 -6.786 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.840 -7.917 -4.768 1.00 1.00 O ATOM 35 O5' DG A 2 -7.317 -7.073 -6.546 1.00 1.00 O ATOM 36 C5' DG A 2 -6.925 -6.212 -7.613 1.00 1.00 C ATOM 37 C4' DG A 2 -5.469 -6.435 -7.953 1.00 1.00 C ATOM 38 O4' DG A 2 -4.656 -5.883 -6.890 1.00 1.00 O ATOM 39 C3' DG A 2 -5.064 -7.910 -8.077 1.00 1.00 C ATOM 40 O3' DG A 2 -4.603 -8.276 -9.400 1.00 1.00 O ATOM 41 C2' DG A 2 -3.993 -8.108 -7.016 1.00 1.00 C ATOM 42 C1' DG A 2 -3.511 -6.695 -6.745 1.00 1.00 C ATOM 43 N9 DG A 2 -2.938 -6.498 -5.415 1.00 1.00 N ATOM 44 C8 DG A 2 -3.435 -6.954 -4.218 1.00 1.00 C ATOM 45 N7 DG A 2 -2.645 -6.718 -3.207 1.00 1.00 N ATOM 46 C5 DG A 2 -1.558 -6.064 -3.769 1.00 1.00 C ATOM 47 C6 DG A 2 -0.379 -5.563 -3.163 1.00 1.00 C ATOM 48 O6 DG A 2 -0.062 -5.596 -1.966 1.00 1.00 O ATOM 49 N1 DG A 2 0.474 -4.970 -4.089 1.00 1.00 N ATOM 50 C2 DG A 2 0.208 -4.872 -5.436 1.00 1.00 C ATOM 51 N2 DG A 2 1.136 -4.260 -6.187 1.00 1.00 N ATOM 52 N3 DG A 2 -0.889 -5.333 -6.014 1.00 1.00 N ATOM 53 C4 DG A 2 -1.724 -5.916 -5.127 1.00 1.00 C ATOM 0 H5' DG A 2 -7.085 -5.172 -7.329 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.544 -6.402 -8.490 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.317 -5.958 -8.921 1.00 1.00 H new ATOM 0 H3' DG A 2 -5.922 -8.564 -7.924 1.00 1.00 H new ATOM 0 H2' DG A 2 -4.397 -8.575 -6.118 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.186 -8.748 -7.373 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.702 -6.453 -7.435 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.386 -7.458 -4.123 1.00 1.00 H new ATOM 0 H1 DG A 2 1.354 -4.583 -3.747 1.00 1.00 H new ATOM 0 H21 DG A 2 0.993 -4.158 -7.192 1.00 1.00 H new ATOM 0 H22 DG A 2 1.985 -3.896 -5.753 1.00 1.00 H new HETATM 65 P AZW A 3 -3.403 -7.579 -10.225 1.00 1.00 P HETATM 66 OP1 AZW A 3 -3.746 -6.168 -10.506 1.00 1.00 O HETATM 67 OP2 AZW A 3 -3.115 -8.469 -11.371 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.113 -7.604 -9.292 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.072 -6.662 -9.532 1.00 1.00 C HETATM 70 C1A AZW A 3 0.179 -7.023 -8.762 1.00 1.00 C HETATM 71 C2A AZW A 3 1.414 -6.561 -9.225 1.00 1.00 C HETATM 72 C6A AZW A 3 0.111 -7.766 -7.571 1.00 1.00 C HETATM 73 C3A AZW A 3 2.578 -6.829 -8.504 1.00 1.00 C HETATM 74 C5A AZW A 3 1.282 -8.034 -6.846 1.00 1.00 C HETATM 75 C4A AZW A 3 2.516 -7.560 -7.315 1.00 1.00 C HETATM 76 N5A AZW A 3 3.699 -7.778 -6.581 1.00 1.00 N HETATM 77 C1B AZW A 3 7.866 -7.165 -3.739 1.00 1.00 C HETATM 78 C2B AZW A 3 7.846 -7.254 -5.141 1.00 1.00 C HETATM 79 C6B AZW A 3 6.661 -7.015 -3.034 1.00 1.00 C HETATM 80 C3B AZW A 3 6.634 -7.180 -5.830 1.00 1.00 C HETATM 81 C5B AZW A 3 5.445 -6.943 -3.730 1.00 1.00 C HETATM 82 C4B AZW A 3 5.436 -7.018 -5.129 1.00 1.00 C HETATM 83 N5B AZW A 3 4.238 -6.851 -5.850 1.00 1.00 N HETATM 84 C3' AZW A 3 9.181 -7.197 -2.985 1.00 1.00 C HETATM 85 O3' AZW A 3 10.285 -7.316 -3.876 1.00 1.00 O ATOM 98 P DG A 4 11.057 -6.005 -4.391 1.00 1.00 P ATOM 99 OP1 DG A 4 11.920 -6.399 -5.530 1.00 1.00 O ATOM 100 OP2 DG A 4 11.665 -5.349 -3.210 1.00 1.00 O ATOM 101 O5' DG A 4 9.906 -5.054 -4.943 1.00 1.00 O ATOM 102 C5' DG A 4 10.139 -3.655 -5.108 1.00 1.00 C ATOM 103 C4' DG A 4 9.475 -3.161 -6.372 1.00 1.00 C ATOM 104 O4' DG A 4 8.133 -3.705 -6.447 1.00 1.00 O ATOM 105 C3' DG A 4 9.308 -1.643 -6.468 1.00 1.00 C ATOM 106 O3' DG A 4 9.404 -1.217 -7.835 1.00 1.00 O ATOM 107 C2' DG A 4 7.903 -1.433 -5.934 1.00 1.00 C ATOM 108 C1' DG A 4 7.193 -2.641 -6.510 1.00 1.00 C ATOM 109 N9 DG A 4 5.980 -3.040 -5.804 1.00 1.00 N ATOM 110 C8 DG A 4 4.732 -3.197 -6.354 1.00 1.00 C ATOM 111 N7 DG A 4 3.827 -3.562 -5.488 1.00 1.00 N ATOM 112 C5 DG A 4 4.520 -3.651 -4.290 1.00 1.00 C ATOM 113 C6 DG A 4 4.062 -4.003 -2.997 1.00 1.00 C ATOM 114 O6 DG A 4 2.912 -4.313 -2.654 1.00 1.00 O ATOM 115 N1 DG A 4 5.083 -3.974 -2.051 1.00 1.00 N ATOM 116 C2 DG A 4 6.388 -3.636 -2.333 1.00 1.00 C ATOM 117 N2 DG A 4 7.249 -3.656 -1.303 1.00 1.00 N ATOM 118 N3 DG A 4 6.828 -3.302 -3.535 1.00 1.00 N ATOM 119 C4 DG A 4 5.849 -3.330 -4.463 1.00 1.00 C ATOM 0 H5' DG A 4 11.211 -3.460 -5.151 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.750 -3.110 -4.248 1.00 1.00 H new ATOM 0 H4' DG A 4 10.137 -3.484 -7.175 1.00 1.00 H new ATOM 0 H3' DG A 4 10.066 -1.080 -5.924 1.00 1.00 H new ATOM 0 H2' DG A 4 7.874 -1.418 -4.845 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.467 -0.495 -6.278 1.00 1.00 H new ATOM 0 H1' DG A 4 6.861 -2.392 -7.518 1.00 1.00 H new ATOM 0 H8 DG A 4 4.520 -3.034 -7.400 1.00 1.00 H new ATOM 0 H1 DG A 4 4.850 -4.218 -1.089 1.00 1.00 H new ATOM 0 H21 DG A 4 8.229 -3.415 -1.452 1.00 1.00 H new ATOM 0 H22 DG A 4 6.923 -3.912 -0.371 1.00 1.00 H new ATOM 131 P DG A 5 9.418 0.348 -8.202 1.00 1.00 P ATOM 132 OP1 DG A 5 9.990 0.507 -9.559 1.00 1.00 O ATOM 133 OP2 DG A 5 10.033 1.072 -7.064 1.00 1.00 O ATOM 134 O5' DG A 5 7.881 0.752 -8.269 1.00 1.00 O ATOM 135 C5' DG A 5 7.005 0.133 -9.211 1.00 1.00 C ATOM 136 C4' DG A 5 5.582 0.609 -9.020 1.00 1.00 C ATOM 137 O4' DG A 5 4.900 -0.225 -8.061 1.00 1.00 O ATOM 138 C3' DG A 5 5.414 2.008 -8.435 1.00 1.00 C ATOM 139 O3' DG A 5 5.570 3.013 -9.446 1.00 1.00 O ATOM 140 C2' DG A 5 3.987 1.961 -7.913 1.00 1.00 C ATOM 141 C1' DG A 5 3.755 0.481 -7.604 1.00 1.00 C ATOM 142 N9 DG A 5 3.566 0.189 -6.189 1.00 1.00 N ATOM 143 C8 DG A 5 4.476 0.364 -5.174 1.00 1.00 C ATOM 144 N7 DG A 5 4.023 0.000 -4.005 1.00 1.00 N ATOM 145 C5 DG A 5 2.732 -0.439 -4.260 1.00 1.00 C ATOM 146 C6 DG A 5 1.741 -0.953 -3.376 1.00 1.00 C ATOM 147 O6 DG A 5 1.807 -1.114 -2.146 1.00 1.00 O ATOM 148 N1 DG A 5 0.568 -1.283 -4.049 1.00 1.00 N ATOM 149 C2 DG A 5 0.377 -1.128 -5.403 1.00 1.00 C ATOM 150 N2 DG A 5 -0.824 -1.486 -5.881 1.00 1.00 N ATOM 151 N3 DG A 5 1.287 -0.650 -6.235 1.00 1.00 N ATOM 152 C4 DG A 5 2.433 -0.329 -5.601 1.00 1.00 C ATOM 0 H5' DG A 5 7.049 -0.950 -9.097 1.00 1.00 H new ATOM 0 H5'' DG A 5 7.336 0.360 -10.225 1.00 1.00 H new ATOM 0 H4' DG A 5 5.188 0.582 -10.036 1.00 1.00 H new ATOM 0 H3' DG A 5 6.151 2.261 -7.672 1.00 1.00 H new ATOM 0 H2' DG A 5 3.867 2.578 -7.023 1.00 1.00 H new ATOM 0 H2'' DG A 5 3.278 2.330 -8.654 1.00 1.00 H new ATOM 0 HO3' DG A 5 5.456 3.900 -9.046 1.00 1.00 H new ATOM 0 H1' DG A 5 2.833 0.180 -8.102 1.00 1.00 H new ATOM 0 H8 DG A 5 5.468 0.763 -5.328 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.203 -1.666 -3.501 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.025 -1.394 -6.877 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.537 -1.850 -5.249 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 9.971 3.260 1.980 1.00 1.00 O ATOM 167 C5' DG B 1 9.016 2.204 1.820 1.00 1.00 C ATOM 168 C4' DG B 1 8.909 1.362 3.070 1.00 1.00 C ATOM 169 O4' DG B 1 7.522 1.002 3.274 1.00 1.00 O ATOM 170 C3' DG B 1 9.690 0.044 3.040 1.00 1.00 C ATOM 171 O3' DG B 1 10.325 -0.160 4.307 1.00 1.00 O ATOM 172 C2' DG B 1 8.612 -0.997 2.792 1.00 1.00 C ATOM 173 C1' DG B 1 7.435 -0.389 3.524 1.00 1.00 C ATOM 174 N9 DG B 1 6.118 -0.852 3.098 1.00 1.00 N ATOM 175 C8 DG B 1 5.161 -1.424 3.901 1.00 1.00 C ATOM 176 N7 DG B 1 4.051 -1.696 3.270 1.00 1.00 N ATOM 177 C5 DG B 1 4.287 -1.280 1.969 1.00 1.00 C ATOM 178 C6 DG B 1 3.440 -1.326 0.834 1.00 1.00 C ATOM 179 O6 DG B 1 2.269 -1.733 0.769 1.00 1.00 O ATOM 180 N1 DG B 1 4.055 -0.812 -0.302 1.00 1.00 N ATOM 181 C2 DG B 1 5.337 -0.307 -0.327 1.00 1.00 C ATOM 182 N2 DG B 1 5.761 0.173 -1.507 1.00 1.00 N ATOM 183 N3 DG B 1 6.142 -0.257 0.727 1.00 1.00 N ATOM 184 C4 DG B 1 5.558 -0.759 1.839 1.00 1.00 C ATOM 0 H5' DG B 1 9.306 1.574 0.979 1.00 1.00 H new ATOM 0 H5'' DG B 1 8.041 2.627 1.580 1.00 1.00 H new ATOM 0 H4' DG B 1 9.333 1.980 3.861 1.00 1.00 H new ATOM 0 H3' DG B 1 10.478 0.011 2.287 1.00 1.00 H new ATOM 0 H2' DG B 1 8.409 -1.133 1.730 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.884 -1.974 3.192 1.00 1.00 H new ATOM 0 HO5' DG B 1 9.705 3.831 2.731 1.00 1.00 H new ATOM 0 H1' DG B 1 7.505 -0.679 4.572 1.00 1.00 H new ATOM 0 H8 DG B 1 5.312 -1.628 4.951 1.00 1.00 H new ATOM 0 H1 DG B 1 3.523 -0.808 -1.173 1.00 1.00 H new ATOM 0 H21 DG B 1 6.701 0.561 -1.592 1.00 1.00 H new ATOM 0 H22 DG B 1 5.144 0.150 -2.319 1.00 1.00 H new ATOM 197 P DG B 2 11.415 -1.322 4.505 1.00 1.00 P ATOM 198 OP1 DG B 2 12.296 -0.909 5.624 1.00 1.00 O ATOM 199 OP2 DG B 2 12.014 -1.649 3.189 1.00 1.00 O ATOM 200 O5' DG B 2 10.554 -2.568 4.989 1.00 1.00 O ATOM 201 C5' DG B 2 9.844 -2.513 6.223 1.00 1.00 C ATOM 202 C4' DG B 2 9.045 -3.778 6.429 1.00 1.00 C ATOM 203 O4' DG B 2 7.882 -3.749 5.564 1.00 1.00 O ATOM 204 C3' DG B 2 9.792 -5.071 6.087 1.00 1.00 C ATOM 205 O3' DG B 2 9.479 -6.084 7.050 1.00 1.00 O ATOM 206 C2' DG B 2 9.232 -5.432 4.723 1.00 1.00 C ATOM 207 C1' DG B 2 7.794 -4.988 4.882 1.00 1.00 C ATOM 208 N9 DG B 2 7.053 -4.801 3.639 1.00 1.00 N ATOM 209 C8 DG B 2 7.536 -4.361 2.428 1.00 1.00 C ATOM 210 N7 DG B 2 6.629 -4.335 1.489 1.00 1.00 N ATOM 211 C5 DG B 2 5.476 -4.783 2.117 1.00 1.00 C ATOM 212 C6 DG B 2 4.166 -4.969 1.605 1.00 1.00 C ATOM 213 O6 DG B 2 3.756 -4.754 0.456 1.00 1.00 O ATOM 214 N1 DG B 2 3.287 -5.442 2.577 1.00 1.00 N ATOM 215 C2 DG B 2 3.642 -5.701 3.883 1.00 1.00 C ATOM 216 N2 DG B 2 2.674 -6.155 4.693 1.00 1.00 N ATOM 217 N3 DG B 2 4.859 -5.531 4.373 1.00 1.00 N ATOM 218 C4 DG B 2 5.720 -5.073 3.441 1.00 1.00 C ATOM 0 H5' DG B 2 9.178 -1.650 6.228 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.545 -2.380 7.047 1.00 1.00 H new ATOM 0 H4' DG B 2 8.807 -3.793 7.492 1.00 1.00 H new ATOM 0 H3' DG B 2 10.877 -4.969 6.090 1.00 1.00 H new ATOM 0 H2' DG B 2 9.740 -4.906 3.915 1.00 1.00 H new ATOM 0 H2'' DG B 2 9.315 -6.498 4.511 1.00 1.00 H new ATOM 0 H1' DG B 2 7.240 -5.767 5.405 1.00 1.00 H new ATOM 0 H8 DG B 2 8.563 -4.066 2.270 1.00 1.00 H new ATOM 0 H1 DG B 2 2.318 -5.607 2.304 1.00 1.00 H new ATOM 0 H21 DG B 2 2.882 -6.363 5.670 1.00 1.00 H new ATOM 0 H22 DG B 2 1.730 -6.292 4.332 1.00 1.00 H new HETATM 230 P AZW B 3 10.251 -7.492 7.026 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.393 -7.961 8.424 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.465 -7.334 6.197 1.00 1.00 O HETATM 233 O5' AZW B 3 9.252 -8.465 6.261 1.00 1.00 O HETATM 234 C5' AZW B 3 8.207 -9.139 6.958 1.00 1.00 C HETATM 235 C1A AZW B 3 6.943 -9.150 6.121 1.00 1.00 C HETATM 236 C2A AZW B 3 5.722 -9.482 6.720 1.00 1.00 C HETATM 237 C6A AZW B 3 6.988 -8.840 4.750 1.00 1.00 C HETATM 238 C3A AZW B 3 4.550 -9.508 5.957 1.00 1.00 C HETATM 239 C5A AZW B 3 5.814 -8.868 3.988 1.00 1.00 C HETATM 240 C4A AZW B 3 4.596 -9.203 4.590 1.00 1.00 C HETATM 241 N5A AZW B 3 3.415 -9.265 3.823 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.581 -10.816 1.113 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.628 -10.481 2.474 1.00 1.00 C HETATM 244 C6B AZW B 3 0.657 -10.974 0.475 1.00 1.00 C HETATM 245 C3B AZW B 3 0.555 -10.313 3.194 1.00 1.00 C HETATM 246 C5B AZW B 3 1.844 -10.805 1.198 1.00 1.00 C HETATM 247 C4B AZW B 3 1.791 -10.480 2.561 1.00 1.00 C HETATM 248 N5B AZW B 3 2.975 -10.377 3.315 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.864 -11.046 0.346 1.00 1.00 C HETATM 250 O3' AZW B 3 -2.468 -12.273 0.752 1.00 1.00 O ATOM 263 P DG B 4 -3.857 -12.276 1.561 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.834 -13.414 2.512 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.953 -12.182 0.570 1.00 1.00 O ATOM 266 O5' DG B 4 -3.843 -10.930 2.409 1.00 1.00 O ATOM 267 C5' DG B 4 -5.047 -10.399 2.961 1.00 1.00 C ATOM 268 C4' DG B 4 -4.789 -9.908 4.366 1.00 1.00 C ATOM 269 O4' DG B 4 -3.386 -9.563 4.484 1.00 1.00 O ATOM 270 C3' DG B 4 -5.560 -8.651 4.767 1.00 1.00 C ATOM 271 O3' DG B 4 -5.846 -8.677 6.171 1.00 1.00 O ATOM 272 C2' DG B 4 -4.579 -7.543 4.434 1.00 1.00 C ATOM 273 C1' DG B 4 -3.258 -8.188 4.811 1.00 1.00 C ATOM 274 N9 DG B 4 -2.082 -7.655 4.132 1.00 1.00 N ATOM 275 C8 DG B 4 -0.905 -7.270 4.728 1.00 1.00 C ATOM 276 N7 DG B 4 -0.028 -6.794 3.888 1.00 1.00 N ATOM 277 C5 DG B 4 -0.662 -6.870 2.656 1.00 1.00 C ATOM 278 C6 DG B 4 -0.201 -6.497 1.369 1.00 1.00 C ATOM 279 O6 DG B 4 0.892 -6.001 1.062 1.00 1.00 O ATOM 280 N1 DG B 4 -1.153 -6.734 0.381 1.00 1.00 N ATOM 281 C2 DG B 4 -2.397 -7.270 0.617 1.00 1.00 C ATOM 282 N2 DG B 4 -3.191 -7.439 -0.450 1.00 1.00 N ATOM 283 N3 DG B 4 -2.838 -7.623 1.812 1.00 1.00 N ATOM 284 C4 DG B 4 -1.928 -7.398 2.784 1.00 1.00 C ATOM 0 H5' DG B 4 -5.823 -11.164 2.970 1.00 1.00 H new ATOM 0 H5'' DG B 4 -5.413 -9.581 2.341 1.00 1.00 H new ATOM 0 H4' DG B 4 -5.113 -10.722 5.015 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.521 -8.540 4.264 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.615 -7.266 3.380 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.772 -6.637 5.009 1.00 1.00 H new ATOM 0 H1' DG B 4 -3.085 -7.988 5.868 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.724 -7.354 5.789 1.00 1.00 H new ATOM 0 H1 DG B 4 -0.912 -6.494 -0.581 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.125 -7.833 -0.334 1.00 1.00 H new ATOM 0 H22 DG B 4 -2.861 -7.174 -1.378 1.00 1.00 H new ATOM 296 P DG B 5 -6.576 -7.430 6.873 1.00 1.00 P ATOM 297 OP1 DG B 5 -7.307 -7.963 8.045 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.320 -6.674 5.840 1.00 1.00 O ATOM 299 O5' DG B 5 -5.384 -6.520 7.405 1.00 1.00 O ATOM 300 C5' DG B 5 -4.437 -7.032 8.339 1.00 1.00 C ATOM 301 C4' DG B 5 -3.241 -6.115 8.437 1.00 1.00 C ATOM 302 O4' DG B 5 -2.675 -5.914 7.119 1.00 1.00 O ATOM 303 C3' DG B 5 -3.542 -4.716 8.985 1.00 1.00 C ATOM 304 O3' DG B 5 -2.631 -4.377 10.042 1.00 1.00 O ATOM 305 C2' DG B 5 -3.330 -3.805 7.787 1.00 1.00 C ATOM 306 C1' DG B 5 -2.271 -4.563 7.020 1.00 1.00 C ATOM 307 N9 DG B 5 -2.133 -4.202 5.611 1.00 1.00 N ATOM 308 C8 DG B 5 -3.088 -4.275 4.624 1.00 1.00 C ATOM 309 N7 DG B 5 -2.651 -3.892 3.452 1.00 1.00 N ATOM 310 C5 DG B 5 -1.328 -3.543 3.679 1.00 1.00 C ATOM 311 C6 DG B 5 -0.339 -3.052 2.785 1.00 1.00 C ATOM 312 O6 DG B 5 -0.444 -2.821 1.568 1.00 1.00 O ATOM 313 N1 DG B 5 0.877 -2.823 3.427 1.00 1.00 N ATOM 314 C2 DG B 5 1.102 -3.043 4.768 1.00 1.00 C ATOM 315 N2 DG B 5 2.332 -2.766 5.223 1.00 1.00 N ATOM 316 N3 DG B 5 0.190 -3.499 5.610 1.00 1.00 N ATOM 317 C4 DG B 5 -0.994 -3.727 5.004 1.00 1.00 C ATOM 0 H5' DG B 5 -4.115 -8.027 8.031 1.00 1.00 H new ATOM 0 H5'' DG B 5 -4.904 -7.137 9.319 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.568 -6.616 9.133 1.00 1.00 H new ATOM 0 H3' DG B 5 -4.543 -4.636 9.408 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.242 -3.672 7.205 1.00 1.00 H new ATOM 0 H2'' DG B 5 -2.992 -2.811 8.081 1.00 1.00 H new ATOM 0 HO3' DG B 5 -2.838 -3.480 10.377 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.293 -4.336 7.444 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.098 -4.615 4.799 1.00 1.00 H new ATOM 0 H1 DG B 5 1.652 -2.469 2.866 1.00 1.00 H new ATOM 0 H21 DG B 5 2.556 -2.910 6.208 1.00 1.00 H new ATOM 0 H22 DG B 5 3.044 -2.412 4.584 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.707 2.640 -2.991 1.00 1.00 O ATOM 332 C5' DG C 1 7.167 3.902 -3.462 1.00 1.00 C ATOM 333 C4' DG C 1 6.435 4.293 -4.723 1.00 1.00 C ATOM 334 O4' DG C 1 5.223 3.501 -4.814 1.00 1.00 O ATOM 335 C3' DG C 1 5.992 5.755 -4.790 1.00 1.00 C ATOM 336 O3' DG C 1 6.136 6.250 -6.125 1.00 1.00 O ATOM 337 C2' DG C 1 4.530 5.700 -4.390 1.00 1.00 C ATOM 338 C1' DG C 1 4.098 4.357 -4.942 1.00 1.00 C ATOM 339 N9 DG C 1 2.969 3.742 -4.249 1.00 1.00 N ATOM 340 C8 DG C 1 1.769 3.369 -4.804 1.00 1.00 C ATOM 341 N7 DG C 1 0.930 2.869 -3.939 1.00 1.00 N ATOM 342 C5 DG C 1 1.618 2.914 -2.734 1.00 1.00 C ATOM 343 C6 DG C 1 1.217 2.504 -1.434 1.00 1.00 C ATOM 344 O6 DG C 1 0.133 2.008 -1.085 1.00 1.00 O ATOM 345 N1 DG C 1 2.214 2.720 -0.487 1.00 1.00 N ATOM 346 C2 DG C 1 3.448 3.264 -0.771 1.00 1.00 C ATOM 347 N2 DG C 1 4.304 3.382 0.255 1.00 1.00 N ATOM 348 N3 DG C 1 3.833 3.648 -1.977 1.00 1.00 N ATOM 349 C4 DG C 1 2.877 3.447 -2.907 1.00 1.00 C ATOM 0 H5' DG C 1 8.239 3.856 -3.656 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.014 4.661 -2.695 1.00 1.00 H new ATOM 0 H4' DG C 1 7.146 4.125 -5.532 1.00 1.00 H new ATOM 0 H3' DG C 1 6.578 6.416 -4.151 1.00 1.00 H new ATOM 0 H2' DG C 1 4.401 5.757 -3.309 1.00 1.00 H new ATOM 0 H2'' DG C 1 3.958 6.521 -4.823 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.843 2.432 -3.404 1.00 1.00 H new ATOM 0 H1' DG C 1 3.762 4.509 -5.968 1.00 1.00 H new ATOM 0 H8 DG C 1 1.542 3.479 -5.854 1.00 1.00 H new ATOM 0 H1 DG C 1 2.019 2.459 0.479 1.00 1.00 H new ATOM 0 H21 DG C 1 5.232 3.778 0.102 1.00 1.00 H new ATOM 0 H22 DG C 1 4.027 3.076 1.188 1.00 1.00 H new ATOM 362 P DG C 2 5.995 7.821 -6.421 1.00 1.00 P ATOM 363 OP1 DG C 2 6.809 8.140 -7.616 1.00 1.00 O ATOM 364 OP2 DG C 2 6.251 8.541 -5.153 1.00 1.00 O ATOM 365 O5' DG C 2 4.460 8.006 -6.797 1.00 1.00 O ATOM 366 C5' DG C 2 3.878 7.254 -7.862 1.00 1.00 C ATOM 367 C4' DG C 2 2.371 7.319 -7.795 1.00 1.00 C ATOM 368 O4' DG C 2 1.909 6.583 -6.634 1.00 1.00 O ATOM 369 C3' DG C 2 1.795 8.733 -7.649 1.00 1.00 C ATOM 370 O3' DG C 2 0.659 8.894 -8.510 1.00 1.00 O ATOM 371 C2' DG C 2 1.374 8.773 -6.190 1.00 1.00 C ATOM 372 C1' DG C 2 0.902 7.350 -6.005 1.00 1.00 C ATOM 373 N9 DG C 2 0.753 6.915 -4.620 1.00 1.00 N ATOM 374 C8 DG C 2 1.617 7.137 -3.578 1.00 1.00 C ATOM 375 N7 DG C 2 1.188 6.661 -2.440 1.00 1.00 N ATOM 376 C5 DG C 2 -0.038 6.089 -2.750 1.00 1.00 C ATOM 377 C6 DG C 2 -0.973 5.421 -1.918 1.00 1.00 C ATOM 378 O6 DG C 2 -0.888 5.191 -0.703 1.00 1.00 O ATOM 379 N1 DG C 2 -2.093 4.996 -2.627 1.00 1.00 N ATOM 380 C2 DG C 2 -2.276 5.195 -3.979 1.00 1.00 C ATOM 381 N2 DG C 2 -3.414 4.725 -4.510 1.00 1.00 N ATOM 382 N3 DG C 2 -1.410 5.815 -4.764 1.00 1.00 N ATOM 383 C4 DG C 2 -0.320 6.235 -4.089 1.00 1.00 C ATOM 0 H5' DG C 2 4.206 6.216 -7.803 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.222 7.643 -8.820 1.00 1.00 H new ATOM 0 H4' DG C 2 2.032 6.905 -8.745 1.00 1.00 H new ATOM 0 H3' DG C 2 2.495 9.524 -7.917 1.00 1.00 H new ATOM 0 H2' DG C 2 2.201 9.026 -5.526 1.00 1.00 H new ATOM 0 H2'' DG C 2 0.583 9.500 -6.006 1.00 1.00 H new ATOM 0 H1' DG C 2 -0.100 7.240 -6.419 1.00 1.00 H new ATOM 0 H8 DG C 2 2.559 7.654 -3.688 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.825 4.506 -2.113 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.600 4.845 -5.506 1.00 1.00 H new ATOM 0 H22 DG C 2 -4.094 4.247 -3.918 1.00 1.00 H new HETATM 395 P AZW C 3 0.092 10.356 -8.862 1.00 1.00 P HETATM 396 OP1 AZW C 3 -0.360 10.349 -10.274 1.00 1.00 O HETATM 397 OP2 AZW C 3 1.094 11.355 -8.425 1.00 1.00 O HETATM 398 O5' AZW C 3 -1.184 10.513 -7.923 1.00 1.00 O HETATM 399 C5' AZW C 3 -2.466 10.034 -8.328 1.00 1.00 C HETATM 400 C1A AZW C 3 -3.305 9.749 -7.101 1.00 1.00 C HETATM 401 C2A AZW C 3 -4.462 10.500 -6.849 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.930 8.729 -6.218 1.00 1.00 C HETATM 403 C3A AZW C 3 -5.242 10.228 -5.717 1.00 1.00 C HETATM 404 C5A AZW C 3 -3.708 8.459 -5.088 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.865 9.206 -4.836 1.00 1.00 C HETATM 406 N5A AZW C 3 -5.649 8.925 -3.693 1.00 1.00 N HETATM 407 C1B AZW C 3 -8.353 6.825 0.021 1.00 1.00 C HETATM 408 C2B AZW C 3 -8.977 7.157 -1.192 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.955 6.796 0.101 1.00 1.00 C HETATM 410 C3B AZW C 3 -8.202 7.457 -2.317 1.00 1.00 C HETATM 411 C5B AZW C 3 -6.181 7.095 -1.026 1.00 1.00 C HETATM 412 C4B AZW C 3 -6.804 7.426 -2.235 1.00 1.00 C HETATM 413 N5B AZW C 3 -6.023 7.720 -3.374 1.00 1.00 N HETATM 414 C3' AZW C 3 -9.177 6.489 1.247 1.00 1.00 C HETATM 415 O3' AZW C 3 -10.535 6.892 1.088 1.00 1.00 O ATOM 428 P DG C 4 -11.660 5.787 0.789 1.00 1.00 P ATOM 429 OP1 DG C 4 -12.894 6.515 0.398 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.697 4.842 1.929 1.00 1.00 O ATOM 431 O5' DG C 4 -11.111 5.028 -0.498 1.00 1.00 O ATOM 432 C5' DG C 4 -11.443 3.665 -0.765 1.00 1.00 C ATOM 433 C4' DG C 4 -11.231 3.378 -2.235 1.00 1.00 C ATOM 434 O4' DG C 4 -9.958 3.942 -2.638 1.00 1.00 O ATOM 435 C3' DG C 4 -11.166 1.901 -2.631 1.00 1.00 C ATOM 436 O3' DG C 4 -11.666 1.747 -3.968 1.00 1.00 O ATOM 437 C2' DG C 4 -9.676 1.615 -2.565 1.00 1.00 C ATOM 438 C1' DG C 4 -9.108 2.910 -3.113 1.00 1.00 C ATOM 439 N9 DG C 4 -7.740 3.218 -2.710 1.00 1.00 N ATOM 440 C8 DG C 4 -6.713 3.582 -3.546 1.00 1.00 C ATOM 441 N7 DG C 4 -5.591 3.805 -2.922 1.00 1.00 N ATOM 442 C5 DG C 4 -5.892 3.573 -1.588 1.00 1.00 C ATOM 443 C6 DG C 4 -5.063 3.658 -0.445 1.00 1.00 C ATOM 444 O6 DG C 4 -3.862 3.959 -0.394 1.00 1.00 O ATOM 445 N1 DG C 4 -5.750 3.345 0.724 1.00 1.00 N ATOM 446 C2 DG C 4 -7.080 2.993 0.770 1.00 1.00 C ATOM 447 N2 DG C 4 -7.588 2.722 1.983 1.00 1.00 N ATOM 448 N3 DG C 4 -7.865 2.910 -0.293 1.00 1.00 N ATOM 449 C4 DG C 4 -7.212 3.211 -1.436 1.00 1.00 C ATOM 0 H5' DG C 4 -12.480 3.471 -0.491 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.824 3.003 -0.160 1.00 1.00 H new ATOM 0 H4' DG C 4 -12.105 3.810 -2.722 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.755 1.233 -2.003 1.00 1.00 H new ATOM 0 H2' DG C 4 -9.339 1.415 -1.548 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.394 0.753 -3.169 1.00 1.00 H new ATOM 0 H1' DG C 4 -9.068 2.816 -4.198 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.824 3.674 -4.616 1.00 1.00 H new ATOM 0 H1 DG C 4 -5.235 3.379 1.604 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.568 2.456 2.078 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.994 2.782 2.810 1.00 1.00 H new ATOM 461 P DG C 5 -11.717 0.303 -4.670 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.730 0.353 -5.754 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.851 -0.714 -3.603 1.00 1.00 O ATOM 464 O5' DG C 5 -10.285 0.144 -5.350 1.00 1.00 O ATOM 465 C5' DG C 5 -9.915 0.968 -6.456 1.00 1.00 C ATOM 466 C4' DG C 5 -8.445 0.815 -6.774 1.00 1.00 C ATOM 467 O4' DG C 5 -7.656 1.105 -5.599 1.00 1.00 O ATOM 468 C3' DG C 5 -8.026 -0.590 -7.218 1.00 1.00 C ATOM 469 O3' DG C 5 -7.534 -0.582 -8.567 1.00 1.00 O ATOM 470 C2' DG C 5 -6.919 -0.981 -6.252 1.00 1.00 C ATOM 471 C1' DG C 5 -6.462 0.358 -5.711 1.00 1.00 C ATOM 472 N9 DG C 5 -5.793 0.317 -4.413 1.00 1.00 N ATOM 473 C8 DG C 5 -6.298 -0.136 -3.217 1.00 1.00 C ATOM 474 N7 DG C 5 -5.453 -0.028 -2.226 1.00 1.00 N ATOM 475 C5 DG C 5 -4.318 0.528 -2.802 1.00 1.00 C ATOM 476 C6 DG C 5 -3.064 0.882 -2.226 1.00 1.00 C ATOM 477 O6 DG C 5 -2.694 0.761 -1.047 1.00 1.00 O ATOM 478 N1 DG C 5 -2.189 1.419 -3.169 1.00 1.00 N ATOM 479 C2 DG C 5 -2.492 1.589 -4.501 1.00 1.00 C ATOM 480 N2 DG C 5 -1.539 2.125 -5.276 1.00 1.00 N ATOM 481 N3 DG C 5 -3.651 1.263 -5.047 1.00 1.00 N ATOM 482 C4 DG C 5 -4.513 0.744 -4.148 1.00 1.00 C ATOM 0 H5' DG C 5 -10.135 2.011 -6.228 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.510 0.700 -7.329 1.00 1.00 H new ATOM 0 H4' DG C 5 -8.273 1.507 -7.599 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.863 -1.288 -7.203 1.00 1.00 H new ATOM 0 H2' DG C 5 -7.285 -1.634 -5.460 1.00 1.00 H new ATOM 0 H2'' DG C 5 -6.111 -1.512 -6.755 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.272 -1.490 -8.825 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.709 0.777 -6.379 1.00 1.00 H new ATOM 0 H8 DG C 5 -7.293 -0.541 -3.108 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.263 1.705 -2.851 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.713 2.272 -6.270 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.640 2.386 -4.872 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -7.706 -5.034 3.840 1.00 1.00 O ATOM 497 C5' DG D 1 -8.237 -3.749 4.193 1.00 1.00 C ATOM 498 C4' DG D 1 -7.660 -3.249 5.498 1.00 1.00 C ATOM 499 O4' DG D 1 -6.250 -2.969 5.313 1.00 1.00 O ATOM 500 C3' DG D 1 -8.290 -1.958 6.031 1.00 1.00 C ATOM 501 O3' DG D 1 -8.542 -2.082 7.437 1.00 1.00 O ATOM 502 C2' DG D 1 -7.239 -0.899 5.750 1.00 1.00 C ATOM 503 C1' DG D 1 -5.950 -1.689 5.841 1.00 1.00 C ATOM 504 N9 DG D 1 -4.827 -1.126 5.096 1.00 1.00 N ATOM 505 C8 DG D 1 -3.611 -0.758 5.617 1.00 1.00 C ATOM 506 N7 DG D 1 -2.791 -0.269 4.728 1.00 1.00 N ATOM 507 C5 DG D 1 -3.510 -0.316 3.543 1.00 1.00 C ATOM 508 C6 DG D 1 -3.132 0.085 2.237 1.00 1.00 C ATOM 509 O6 DG D 1 -2.050 0.568 1.866 1.00 1.00 O ATOM 510 N1 DG D 1 -4.148 -0.125 1.311 1.00 1.00 N ATOM 511 C2 DG D 1 -5.377 -0.663 1.620 1.00 1.00 C ATOM 512 N2 DG D 1 -6.230 -0.819 0.598 1.00 1.00 N ATOM 513 N3 DG D 1 -5.744 -1.042 2.837 1.00 1.00 N ATOM 514 C4 DG D 1 -4.767 -0.842 3.747 1.00 1.00 C ATOM 0 H5' DG D 1 -9.322 -3.813 4.275 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.019 -3.034 3.400 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.862 -4.040 6.220 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.248 -1.719 5.569 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.370 -0.447 4.767 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.272 -0.090 6.480 1.00 1.00 H new ATOM 0 HO5' DG D 1 -7.859 -5.664 4.575 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.626 -1.693 6.882 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.358 -0.863 6.662 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.971 0.136 0.341 1.00 1.00 H new ATOM 0 H21 DG D 1 -7.157 -1.213 0.763 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.953 -0.544 -0.344 1.00 1.00 H new ATOM 527 P DG D 2 -9.410 -0.975 8.215 1.00 1.00 P ATOM 528 OP1 DG D 2 -10.048 -1.641 9.374 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.261 -0.258 7.235 1.00 1.00 O ATOM 530 O5' DG D 2 -8.324 0.043 8.772 1.00 1.00 O ATOM 531 C5' DG D 2 -7.200 -0.428 9.518 1.00 1.00 C ATOM 532 C4' DG D 2 -6.181 0.674 9.676 1.00 1.00 C ATOM 533 O4' DG D 2 -5.481 0.871 8.420 1.00 1.00 O ATOM 534 C3' DG D 2 -6.765 2.039 10.046 1.00 1.00 C ATOM 535 O3' DG D 2 -5.945 2.667 11.039 1.00 1.00 O ATOM 536 C2' DG D 2 -6.710 2.798 8.732 1.00 1.00 C ATOM 537 C1' DG D 2 -5.420 2.260 8.153 1.00 1.00 C ATOM 538 N9 DG D 2 -5.245 2.474 6.718 1.00 1.00 N ATOM 539 C8 DG D 2 -6.191 2.340 5.730 1.00 1.00 C ATOM 540 N7 DG D 2 -5.744 2.646 4.541 1.00 1.00 N ATOM 541 C5 DG D 2 -4.421 3.003 4.757 1.00 1.00 C ATOM 542 C6 DG D 2 -3.427 3.431 3.838 1.00 1.00 C ATOM 543 O6 DG D 2 -3.527 3.572 2.613 1.00 1.00 O ATOM 544 N1 DG D 2 -2.213 3.696 4.468 1.00 1.00 N ATOM 545 C2 DG D 2 -1.994 3.562 5.820 1.00 1.00 C ATOM 546 N2 DG D 2 -0.762 3.862 6.262 1.00 1.00 N ATOM 547 N3 DG D 2 -2.911 3.161 6.687 1.00 1.00 N ATOM 548 C4 DG D 2 -4.096 2.902 6.091 1.00 1.00 C ATOM 0 H5' DG D 2 -6.749 -1.281 9.010 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.525 -0.776 10.498 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.538 0.341 10.491 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.770 1.992 10.466 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.569 2.587 8.096 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.680 3.878 8.878 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.574 2.782 8.601 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.203 2.014 5.918 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.435 4.010 3.889 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.543 3.781 7.255 1.00 1.00 H new ATOM 0 H22 DG D 2 -0.046 4.171 5.605 1.00 1.00 H new HETATM 560 P AZW D 3 -6.370 4.075 11.679 1.00 1.00 P HETATM 561 OP1 AZW D 3 -6.056 4.010 13.125 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.752 4.394 11.244 1.00 1.00 O HETATM 563 O5' AZW D 3 -5.372 5.116 11.006 1.00 1.00 O HETATM 564 C5' AZW D 3 -3.967 4.960 11.161 1.00 1.00 C HETATM 565 C1A AZW D 3 -3.244 5.778 10.120 1.00 1.00 C HETATM 566 C2A AZW D 3 -2.134 6.545 10.488 1.00 1.00 C HETATM 567 C6A AZW D 3 -3.659 5.744 8.780 1.00 1.00 C HETATM 568 C3A AZW D 3 -1.433 7.270 9.522 1.00 1.00 C HETATM 569 C5A AZW D 3 -2.957 6.474 7.812 1.00 1.00 C HETATM 570 C4A AZW D 3 -1.840 7.233 8.183 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.090 7.929 7.215 1.00 1.00 N HETATM 572 C1B AZW D 3 1.278 9.714 3.164 1.00 1.00 C HETATM 573 C2B AZW D 3 1.861 9.127 4.294 1.00 1.00 C HETATM 574 C6B AZW D 3 -0.106 9.612 2.960 1.00 1.00 C HETATM 575 C3B AZW D 3 1.069 8.441 5.215 1.00 1.00 C HETATM 576 C5B AZW D 3 -0.901 8.922 3.886 1.00 1.00 C HETATM 577 C4B AZW D 3 -0.309 8.336 5.014 1.00 1.00 C HETATM 578 N5B AZW D 3 -1.090 7.633 5.949 1.00 1.00 N HETATM 579 C3' AZW D 3 2.143 10.446 2.162 1.00 1.00 C HETATM 580 O3' AZW D 3 2.954 11.419 2.813 1.00 1.00 O ATOM 593 P DG D 4 4.553 11.274 2.798 1.00 1.00 P ATOM 594 OP1 DG D 4 5.098 12.063 3.928 1.00 1.00 O ATOM 595 OP2 DG D 4 5.009 11.565 1.417 1.00 1.00 O ATOM 596 O5' DG D 4 4.807 9.733 3.096 1.00 1.00 O ATOM 597 C5' DG D 4 6.123 9.179 3.098 1.00 1.00 C ATOM 598 C4' DG D 4 6.281 8.234 4.268 1.00 1.00 C ATOM 599 O4' DG D 4 4.970 7.785 4.690 1.00 1.00 O ATOM 600 C3' DG D 4 7.087 6.964 3.984 1.00 1.00 C ATOM 601 O3' DG D 4 7.883 6.629 5.129 1.00 1.00 O ATOM 602 C2' DG D 4 6.007 5.924 3.748 1.00 1.00 C ATOM 603 C1' DG D 4 4.950 6.369 4.737 1.00 1.00 C ATOM 604 N9 DG D 4 3.589 5.910 4.461 1.00 1.00 N ATOM 605 C8 DG D 4 2.736 5.325 5.362 1.00 1.00 C ATOM 606 N7 DG D 4 1.584 4.991 4.847 1.00 1.00 N ATOM 607 C5 DG D 4 1.680 5.380 3.519 1.00 1.00 C ATOM 608 C6 DG D 4 0.735 5.270 2.466 1.00 1.00 C ATOM 609 O6 DG D 4 -0.404 4.782 2.508 1.00 1.00 O ATOM 610 N1 DG D 4 1.224 5.784 1.268 1.00 1.00 N ATOM 611 C2 DG D 4 2.476 6.336 1.118 1.00 1.00 C ATOM 612 N2 DG D 4 2.796 6.782 -0.104 1.00 1.00 N ATOM 613 N3 DG D 4 3.365 6.446 2.092 1.00 1.00 N ATOM 614 C4 DG D 4 2.909 5.950 3.261 1.00 1.00 C ATOM 0 H5' DG D 4 6.863 9.977 3.161 1.00 1.00 H new ATOM 0 H5'' DG D 4 6.305 8.648 2.163 1.00 1.00 H new ATOM 0 H4' DG D 4 6.823 8.811 5.017 1.00 1.00 H new ATOM 0 H3' DG D 4 7.778 7.054 3.146 1.00 1.00 H new ATOM 0 H2' DG D 4 5.641 5.936 2.721 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.359 4.912 3.949 1.00 1.00 H new ATOM 0 H1' DG D 4 5.192 5.935 5.707 1.00 1.00 H new ATOM 0 H8 DG D 4 2.993 5.157 6.397 1.00 1.00 H new ATOM 0 H1 DG D 4 0.616 5.749 0.450 1.00 1.00 H new ATOM 0 H21 DG D 4 3.711 7.200 -0.271 1.00 1.00 H new ATOM 0 H22 DG D 4 2.124 6.703 -0.868 1.00 1.00 H new ATOM 626 P DG D 5 8.802 5.311 5.128 1.00 1.00 P ATOM 627 OP1 DG D 5 9.925 5.562 6.066 1.00 1.00 O ATOM 628 OP2 DG D 5 9.097 4.935 3.725 1.00 1.00 O ATOM 629 O5' DG D 5 7.866 4.190 5.760 1.00 1.00 O ATOM 630 C5' DG D 5 7.413 4.298 7.108 1.00 1.00 C ATOM 631 C4' DG D 5 6.348 3.264 7.386 1.00 1.00 C ATOM 632 O4' DG D 5 5.259 3.438 6.456 1.00 1.00 O ATOM 633 C3' DG D 5 6.789 1.811 7.215 1.00 1.00 C ATOM 634 O3' DG D 5 7.044 1.207 8.492 1.00 1.00 O ATOM 635 C2' DG D 5 5.625 1.123 6.514 1.00 1.00 C ATOM 636 C1' DG D 5 4.570 2.208 6.365 1.00 1.00 C ATOM 637 N9 DG D 5 3.858 2.175 5.091 1.00 1.00 N ATOM 638 C8 DG D 5 4.339 2.566 3.866 1.00 1.00 C ATOM 639 N7 DG D 5 3.469 2.429 2.901 1.00 1.00 N ATOM 640 C5 DG D 5 2.345 1.911 3.530 1.00 1.00 C ATOM 641 C6 DG D 5 1.081 1.554 2.997 1.00 1.00 C ATOM 642 O6 DG D 5 0.695 1.623 1.818 1.00 1.00 O ATOM 643 N1 DG D 5 0.219 1.068 3.978 1.00 1.00 N ATOM 644 C2 DG D 5 0.550 0.943 5.310 1.00 1.00 C ATOM 645 N2 DG D 5 -0.397 0.450 6.117 1.00 1.00 N ATOM 646 N3 DG D 5 1.724 1.274 5.820 1.00 1.00 N ATOM 647 C4 DG D 5 2.568 1.747 4.880 1.00 1.00 C ATOM 0 H5' DG D 5 7.015 5.297 7.286 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.250 4.161 7.793 1.00 1.00 H new ATOM 0 H4' DG D 5 6.083 3.426 8.431 1.00 1.00 H new ATOM 0 H3' DG D 5 7.713 1.728 6.643 1.00 1.00 H new ATOM 0 H2' DG D 5 5.925 0.726 5.544 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.250 0.284 7.100 1.00 1.00 H new ATOM 0 HO3' DG D 5 7.324 0.277 8.364 1.00 1.00 H new ATOM 0 H1' DG D 5 3.815 2.062 7.138 1.00 1.00 H new ATOM 0 H8 DG D 5 5.338 2.949 3.715 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.719 0.786 3.691 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.209 0.335 7.113 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.307 0.189 5.736 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.417 -3.932 -0.551 1.00 1.00 K HETATM 662 K K A 102 -0.134 -0.416 0.108 1.00 1.00 K HETATM 663 K K C 101 -1.641 3.105 0.794 1.00 1.00 K