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 -73:sc= 0.717 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -30:sc= 0.33 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -40:sc= 0.523 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -19:sc= 0.458 USER MOD Single : D 5 DG O3' : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.667 -3.011 -0.972 1.00 1.00 O ATOM 2 C5' DG A 1 -8.437 -4.034 -1.603 1.00 1.00 C ATOM 3 C4' DG A 1 -8.227 -4.013 -3.099 1.00 1.00 C ATOM 4 O4' DG A 1 -7.019 -3.266 -3.383 1.00 1.00 O ATOM 5 C3' DG A 1 -8.023 -5.381 -3.749 1.00 1.00 C ATOM 6 O3' DG A 1 -8.500 -5.345 -5.102 1.00 1.00 O ATOM 7 C2' DG A 1 -6.513 -5.526 -3.711 1.00 1.00 C ATOM 8 C1' DG A 1 -6.092 -4.110 -4.048 1.00 1.00 C ATOM 9 N9 DG A 1 -4.744 -3.726 -3.633 1.00 1.00 N ATOM 10 C8 DG A 1 -3.757 -3.236 -4.453 1.00 1.00 C ATOM 11 N7 DG A 1 -2.659 -2.936 -3.820 1.00 1.00 N ATOM 12 C5 DG A 1 -2.932 -3.249 -2.498 1.00 1.00 C ATOM 13 C6 DG A 1 -2.109 -3.134 -1.352 1.00 1.00 C ATOM 14 O6 DG A 1 -0.946 -2.708 -1.287 1.00 1.00 O ATOM 15 N1 DG A 1 -2.757 -3.561 -0.196 1.00 1.00 N ATOM 16 C2 DG A 1 -4.049 -4.038 -0.164 1.00 1.00 C ATOM 17 N2 DG A 1 -4.520 -4.399 1.040 1.00 1.00 N ATOM 18 N3 DG A 1 -4.830 -4.148 -1.229 1.00 1.00 N ATOM 19 C4 DG A 1 -4.213 -3.741 -2.359 1.00 1.00 C ATOM 0 H5' DG A 1 -9.494 -3.893 -1.377 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.153 -5.008 -1.204 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.141 -3.579 -3.506 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.549 -6.201 -3.260 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.151 -5.845 -2.733 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.148 -6.251 -4.438 1.00 1.00 H new ATOM 0 HO5' DG A 1 -6.719 -3.259 -0.987 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.082 -4.024 -5.135 1.00 1.00 H new ATOM 0 H8 DG A 1 -3.879 -3.112 -5.519 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.242 -3.518 0.683 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.470 -4.760 1.129 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.928 -4.312 1.866 1.00 1.00 H new ATOM 32 P DG A 2 -8.625 -6.686 -5.975 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.588 -6.400 -7.063 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.879 -7.830 -5.065 1.00 1.00 O ATOM 35 O5' DG A 2 -7.188 -6.867 -6.631 1.00 1.00 O ATOM 36 C5' DG A 2 -6.786 -6.035 -7.720 1.00 1.00 C ATOM 37 C4' DG A 2 -5.354 -6.324 -8.107 1.00 1.00 C ATOM 38 O4' DG A 2 -4.469 -5.871 -7.053 1.00 1.00 O ATOM 39 C3' DG A 2 -5.031 -7.808 -8.318 1.00 1.00 C ATOM 40 O3' DG A 2 -4.215 -7.965 -9.483 1.00 1.00 O ATOM 41 C2' DG A 2 -4.257 -8.173 -7.064 1.00 1.00 C ATOM 42 C1' DG A 2 -3.507 -6.882 -6.816 1.00 1.00 C ATOM 43 N9 DG A 2 -2.955 -6.719 -5.475 1.00 1.00 N ATOM 44 C8 DG A 2 -3.478 -7.165 -4.286 1.00 1.00 C ATOM 45 N7 DG A 2 -2.711 -6.914 -3.258 1.00 1.00 N ATOM 46 C5 DG A 2 -1.615 -6.260 -3.803 1.00 1.00 C ATOM 47 C6 DG A 2 -0.450 -5.741 -3.178 1.00 1.00 C ATOM 48 O6 DG A 2 -0.154 -5.759 -1.975 1.00 1.00 O ATOM 49 N1 DG A 2 0.417 -5.152 -4.096 1.00 1.00 N ATOM 50 C2 DG A 2 0.175 -5.076 -5.452 1.00 1.00 C ATOM 51 N2 DG A 2 1.109 -4.475 -6.202 1.00 1.00 N ATOM 52 N3 DG A 2 -0.905 -5.555 -6.043 1.00 1.00 N ATOM 53 C4 DG A 2 -1.752 -6.128 -5.166 1.00 1.00 C ATOM 0 H5' DG A 2 -6.889 -4.986 -7.441 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.441 -6.203 -8.575 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.213 -5.804 -9.055 1.00 1.00 H new ATOM 0 H3' DG A 2 -5.911 -8.433 -8.469 1.00 1.00 H new ATOM 0 H2' DG A 2 -4.913 -8.437 -6.234 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.587 -9.018 -7.222 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.630 -6.852 -7.463 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.428 -7.672 -4.208 1.00 1.00 H new ATOM 0 H1 DG A 2 1.286 -4.751 -3.743 1.00 1.00 H new ATOM 0 H21 DG A 2 0.978 -4.393 -7.210 1.00 1.00 H new ATOM 0 H22 DG A 2 1.951 -4.100 -5.765 1.00 1.00 H new HETATM 65 P AZW A 3 -4.100 -9.389 -10.217 1.00 1.00 P HETATM 66 OP1 AZW A 3 -4.900 -9.348 -11.462 1.00 1.00 O HETATM 67 OP2 AZW A 3 -4.379 -10.442 -9.213 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.565 -9.499 -10.622 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.810 -8.349 -11.006 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.603 -8.213 -10.105 1.00 1.00 C HETATM 71 C2A AZW A 3 0.542 -7.554 -10.570 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.617 -8.763 -8.812 1.00 1.00 C HETATM 73 C3A AZW A 3 1.671 -7.448 -9.752 1.00 1.00 C HETATM 74 C5A AZW A 3 0.514 -8.655 -7.996 1.00 1.00 C HETATM 75 C4A AZW A 3 1.657 -8.000 -8.467 1.00 1.00 C HETATM 76 N5A AZW A 3 2.810 -7.917 -7.659 1.00 1.00 N HETATM 77 C1B AZW A 3 6.547 -6.611 -4.550 1.00 1.00 C HETATM 78 C2B AZW A 3 6.616 -6.374 -5.931 1.00 1.00 C HETATM 79 C6B AZW A 3 5.318 -6.943 -3.960 1.00 1.00 C HETATM 80 C3B AZW A 3 5.465 -6.468 -6.716 1.00 1.00 C HETATM 81 C5B AZW A 3 4.163 -7.035 -4.749 1.00 1.00 C HETATM 82 C4B AZW A 3 4.239 -6.798 -6.126 1.00 1.00 C HETATM 83 N5B AZW A 3 3.084 -6.883 -6.925 1.00 1.00 N HETATM 84 C3' AZW A 3 7.787 -6.491 -3.692 1.00 1.00 C HETATM 85 O3' AZW A 3 8.949 -6.864 -4.425 1.00 1.00 O ATOM 98 P DG A 4 10.070 -5.768 -4.764 1.00 1.00 P ATOM 99 OP1 DG A 4 11.020 -6.379 -5.725 1.00 1.00 O ATOM 100 OP2 DG A 4 10.574 -5.237 -3.476 1.00 1.00 O ATOM 101 O5' DG A 4 9.271 -4.612 -5.511 1.00 1.00 O ATOM 102 C5' DG A 4 9.862 -3.335 -5.749 1.00 1.00 C ATOM 103 C4' DG A 4 9.089 -2.599 -6.815 1.00 1.00 C ATOM 104 O4' DG A 4 7.739 -3.127 -6.871 1.00 1.00 O ATOM 105 C3' DG A 4 8.930 -1.091 -6.600 1.00 1.00 C ATOM 106 O3' DG A 4 8.920 -0.416 -7.865 1.00 1.00 O ATOM 107 C2' DG A 4 7.581 -0.988 -5.914 1.00 1.00 C ATOM 108 C1' DG A 4 6.803 -2.092 -6.605 1.00 1.00 C ATOM 109 N9 DG A 4 5.688 -2.665 -5.851 1.00 1.00 N ATOM 110 C8 DG A 4 4.451 -2.974 -6.361 1.00 1.00 C ATOM 111 N7 DG A 4 3.630 -3.467 -5.476 1.00 1.00 N ATOM 112 C5 DG A 4 4.367 -3.486 -4.302 1.00 1.00 C ATOM 113 C6 DG A 4 3.992 -3.920 -3.004 1.00 1.00 C ATOM 114 O6 DG A 4 2.898 -4.370 -2.636 1.00 1.00 O ATOM 115 N1 DG A 4 5.026 -3.778 -2.085 1.00 1.00 N ATOM 116 C2 DG A 4 6.270 -3.275 -2.394 1.00 1.00 C ATOM 117 N2 DG A 4 7.150 -3.195 -1.384 1.00 1.00 N ATOM 118 N3 DG A 4 6.631 -2.868 -3.603 1.00 1.00 N ATOM 119 C4 DG A 4 5.640 -2.999 -4.509 1.00 1.00 C ATOM 0 H5' DG A 4 10.900 -3.458 -6.060 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.872 -2.752 -4.828 1.00 1.00 H new ATOM 0 H4' DG A 4 9.675 -2.748 -7.722 1.00 1.00 H new ATOM 0 H3' DG A 4 9.735 -0.638 -6.021 1.00 1.00 H new ATOM 0 H2' DG A 4 7.655 -1.150 -4.839 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.121 -0.010 -6.059 1.00 1.00 H new ATOM 0 H1' DG A 4 6.342 -1.650 -7.488 1.00 1.00 H new ATOM 0 H8 DG A 4 4.184 -2.823 -7.396 1.00 1.00 H new ATOM 0 H1 DG A 4 4.852 -4.064 -1.122 1.00 1.00 H new ATOM 0 H21 DG A 4 8.088 -2.830 -1.552 1.00 1.00 H new ATOM 0 H22 DG A 4 6.881 -3.499 -0.448 1.00 1.00 H new ATOM 131 P DG A 5 8.753 1.182 -7.944 1.00 1.00 P ATOM 132 OP1 DG A 5 9.411 1.655 -9.185 1.00 1.00 O ATOM 133 OP2 DG A 5 9.169 1.745 -6.635 1.00 1.00 O ATOM 134 O5' DG A 5 7.185 1.392 -8.111 1.00 1.00 O ATOM 135 C5' DG A 5 6.510 0.875 -9.257 1.00 1.00 C ATOM 136 C4' DG A 5 5.011 0.952 -9.082 1.00 1.00 C ATOM 137 O4' DG A 5 4.597 0.071 -8.019 1.00 1.00 O ATOM 138 C3' DG A 5 4.464 2.314 -8.661 1.00 1.00 C ATOM 139 O3' DG A 5 4.172 3.122 -9.807 1.00 1.00 O ATOM 140 C2' DG A 5 3.192 1.971 -7.902 1.00 1.00 C ATOM 141 C1' DG A 5 3.308 0.479 -7.596 1.00 1.00 C ATOM 142 N9 DG A 5 3.170 0.160 -6.180 1.00 1.00 N ATOM 143 C8 DG A 5 4.078 0.409 -5.182 1.00 1.00 C ATOM 144 N7 DG A 5 3.678 0.000 -4.006 1.00 1.00 N ATOM 145 C5 DG A 5 2.425 -0.550 -4.246 1.00 1.00 C ATOM 146 C6 DG A 5 1.497 -1.152 -3.353 1.00 1.00 C ATOM 147 O6 DG A 5 1.607 -1.323 -2.128 1.00 1.00 O ATOM 148 N1 DG A 5 0.343 -1.575 -4.009 1.00 1.00 N ATOM 149 C2 DG A 5 0.122 -1.428 -5.360 1.00 1.00 C ATOM 150 N2 DG A 5 -1.043 -1.892 -5.829 1.00 1.00 N ATOM 151 N3 DG A 5 0.974 -0.870 -6.200 1.00 1.00 N ATOM 152 C4 DG A 5 2.097 -0.456 -5.581 1.00 1.00 C ATOM 0 H5' DG A 5 6.808 -0.160 -9.423 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.806 1.437 -10.143 1.00 1.00 H new ATOM 0 H4' DG A 5 4.629 0.699 -10.071 1.00 1.00 H new ATOM 0 H3' DG A 5 5.172 2.888 -8.063 1.00 1.00 H new ATOM 0 H2' DG A 5 3.108 2.557 -6.987 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.306 2.184 -8.499 1.00 1.00 H new ATOM 0 HO3' DG A 5 3.821 3.989 -9.515 1.00 1.00 H new ATOM 0 H1' DG A 5 2.498 -0.036 -8.113 1.00 1.00 H new ATOM 0 H8 DG A 5 5.028 0.894 -5.351 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.385 -2.023 -3.452 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.262 -1.811 -6.822 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.712 -2.327 -5.193 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.813 2.652 1.069 1.00 1.00 O ATOM 167 C5' DG B 1 8.995 1.907 1.361 1.00 1.00 C ATOM 168 C4' DG B 1 8.914 1.304 2.746 1.00 1.00 C ATOM 169 O4' DG B 1 7.526 1.014 3.040 1.00 1.00 O ATOM 170 C3' DG B 1 9.666 -0.014 2.943 1.00 1.00 C ATOM 171 O3' DG B 1 10.189 -0.072 4.275 1.00 1.00 O ATOM 172 C2' DG B 1 8.574 -1.048 2.740 1.00 1.00 C ATOM 173 C1' DG B 1 7.400 -0.355 3.394 1.00 1.00 C ATOM 174 N9 DG B 1 6.082 -0.832 2.987 1.00 1.00 N ATOM 175 C8 DG B 1 5.150 -1.431 3.799 1.00 1.00 C ATOM 176 N7 DG B 1 4.043 -1.739 3.180 1.00 1.00 N ATOM 177 C5 DG B 1 4.256 -1.321 1.875 1.00 1.00 C ATOM 178 C6 DG B 1 3.400 -1.397 0.749 1.00 1.00 C ATOM 179 O6 DG B 1 2.244 -1.847 0.697 1.00 1.00 O ATOM 180 N1 DG B 1 3.992 -0.867 -0.393 1.00 1.00 N ATOM 181 C2 DG B 1 5.259 -0.325 -0.429 1.00 1.00 C ATOM 182 N2 DG B 1 5.664 0.157 -1.612 1.00 1.00 N ATOM 183 N3 DG B 1 6.068 -0.245 0.618 1.00 1.00 N ATOM 184 C4 DG B 1 5.509 -0.760 1.734 1.00 1.00 C ATOM 0 H5' DG B 1 9.868 2.557 1.291 1.00 1.00 H new ATOM 0 H5'' DG B 1 9.126 1.117 0.621 1.00 1.00 H new ATOM 0 H4' DG B 1 9.376 2.045 3.398 1.00 1.00 H new ATOM 0 H3' DG B 1 10.515 -0.154 2.273 1.00 1.00 H new ATOM 0 H2' DG B 1 8.395 -1.258 1.685 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.811 -1.998 3.218 1.00 1.00 H new ATOM 0 HO5' DG B 1 7.054 2.263 1.552 1.00 1.00 H new ATOM 0 H1' DG B 1 7.442 -0.555 4.465 1.00 1.00 H new ATOM 0 H8 DG B 1 5.317 -1.628 4.848 1.00 1.00 H new ATOM 0 H1 DG B 1 3.454 -0.880 -1.259 1.00 1.00 H new ATOM 0 H21 DG B 1 6.592 0.571 -1.703 1.00 1.00 H new ATOM 0 H22 DG B 1 5.045 0.110 -2.421 1.00 1.00 H new ATOM 197 P DG B 2 11.228 -1.217 4.701 1.00 1.00 P ATOM 198 OP1 DG B 2 11.994 -0.706 5.863 1.00 1.00 O ATOM 199 OP2 DG B 2 11.957 -1.672 3.493 1.00 1.00 O ATOM 200 O5' DG B 2 10.303 -2.411 5.201 1.00 1.00 O ATOM 201 C5' DG B 2 9.557 -2.299 6.412 1.00 1.00 C ATOM 202 C4' DG B 2 8.703 -3.527 6.614 1.00 1.00 C ATOM 203 O4' DG B 2 7.606 -3.509 5.667 1.00 1.00 O ATOM 204 C3' DG B 2 9.428 -4.859 6.389 1.00 1.00 C ATOM 205 O3' DG B 2 9.077 -5.785 7.424 1.00 1.00 O ATOM 206 C2' DG B 2 8.898 -5.324 5.045 1.00 1.00 C ATOM 207 C1' DG B 2 7.481 -4.799 5.093 1.00 1.00 C ATOM 208 N9 DG B 2 6.816 -4.681 3.798 1.00 1.00 N ATOM 209 C8 DG B 2 7.368 -4.274 2.606 1.00 1.00 C ATOM 210 N7 DG B 2 6.521 -4.292 1.612 1.00 1.00 N ATOM 211 C5 DG B 2 5.337 -4.739 2.182 1.00 1.00 C ATOM 212 C6 DG B 2 4.065 -4.964 1.595 1.00 1.00 C ATOM 213 O6 DG B 2 3.718 -4.776 0.420 1.00 1.00 O ATOM 214 N1 DG B 2 3.133 -5.421 2.526 1.00 1.00 N ATOM 215 C2 DG B 2 3.409 -5.632 3.859 1.00 1.00 C ATOM 216 N2 DG B 2 2.393 -6.059 4.625 1.00 1.00 N ATOM 217 N3 DG B 2 4.590 -5.425 4.419 1.00 1.00 N ATOM 218 C4 DG B 2 5.502 -4.985 3.528 1.00 1.00 C ATOM 0 H5' DG B 2 8.927 -1.410 6.378 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.236 -2.177 7.256 1.00 1.00 H new ATOM 0 H4' DG B 2 8.388 -3.479 7.657 1.00 1.00 H new ATOM 0 H3' DG B 2 10.515 -4.773 6.406 1.00 1.00 H new ATOM 0 H2' DG B 2 9.464 -4.906 4.212 1.00 1.00 H new ATOM 0 H2'' DG B 2 8.932 -6.409 4.942 1.00 1.00 H new ATOM 0 H1' DG B 2 6.860 -5.500 5.652 1.00 1.00 H new ATOM 0 H8 DG B 2 8.399 -3.970 2.502 1.00 1.00 H new ATOM 0 H1 DG B 2 2.186 -5.611 2.199 1.00 1.00 H new ATOM 0 H21 DG B 2 2.541 -6.231 5.619 1.00 1.00 H new ATOM 0 H22 DG B 2 1.472 -6.211 4.213 1.00 1.00 H new HETATM 230 P AZW B 3 9.832 -7.197 7.544 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.102 -7.460 8.977 1.00 1.00 O HETATM 232 OP2 AZW B 3 10.956 -7.194 6.576 1.00 1.00 O HETATM 233 O5' AZW B 3 8.751 -8.252 7.046 1.00 1.00 O HETATM 234 C5' AZW B 3 7.487 -8.362 7.694 1.00 1.00 C HETATM 235 C1A AZW B 3 6.417 -8.657 6.669 1.00 1.00 C HETATM 236 C2A AZW B 3 5.091 -8.275 6.917 1.00 1.00 C HETATM 237 C6A AZW B 3 6.742 -9.331 5.482 1.00 1.00 C HETATM 238 C3A AZW B 3 4.092 -8.573 5.985 1.00 1.00 C HETATM 239 C5A AZW B 3 5.741 -9.629 4.550 1.00 1.00 C HETATM 240 C4A AZW B 3 4.417 -9.252 4.802 1.00 1.00 C HETATM 241 N5A AZW B 3 3.403 -9.586 3.881 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.859 -10.974 1.557 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.814 -11.552 2.833 1.00 1.00 C HETATM 244 C6B AZW B 3 0.120 -10.051 1.178 1.00 1.00 C HETATM 245 C3B AZW B 3 0.204 -11.201 3.726 1.00 1.00 C HETATM 246 C5B AZW B 3 1.139 -9.700 2.071 1.00 1.00 C HETATM 247 C4B AZW B 3 1.181 -10.276 3.347 1.00 1.00 C HETATM 248 N5B AZW B 3 2.207 -9.934 4.252 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.975 -11.316 0.595 1.00 1.00 C HETATM 250 O3' AZW B 3 -2.591 -12.552 0.942 1.00 1.00 O ATOM 263 P DG B 4 -4.052 -12.543 1.608 1.00 1.00 P ATOM 264 OP1 DG B 4 -4.294 -13.873 2.214 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.997 -12.025 0.590 1.00 1.00 O ATOM 266 O5' DG B 4 -3.937 -11.476 2.782 1.00 1.00 O ATOM 267 C5' DG B 4 -5.078 -10.752 3.237 1.00 1.00 C ATOM 268 C4' DG B 4 -4.793 -10.150 4.594 1.00 1.00 C ATOM 269 O4' DG B 4 -3.413 -9.704 4.635 1.00 1.00 O ATOM 270 C3' DG B 4 -5.633 -8.922 4.946 1.00 1.00 C ATOM 271 O3' DG B 4 -5.869 -8.884 6.359 1.00 1.00 O ATOM 272 C2' DG B 4 -4.736 -7.776 4.513 1.00 1.00 C ATOM 273 C1' DG B 4 -3.371 -8.310 4.906 1.00 1.00 C ATOM 274 N9 DG B 4 -2.226 -7.736 4.201 1.00 1.00 N ATOM 275 C8 DG B 4 -1.059 -7.304 4.781 1.00 1.00 C ATOM 276 N7 DG B 4 -0.203 -6.818 3.926 1.00 1.00 N ATOM 277 C5 DG B 4 -0.841 -6.936 2.701 1.00 1.00 C ATOM 278 C6 DG B 4 -0.394 -6.572 1.405 1.00 1.00 C ATOM 279 O6 DG B 4 0.685 -6.055 1.088 1.00 1.00 O ATOM 280 N1 DG B 4 -1.341 -6.853 0.425 1.00 1.00 N ATOM 281 C2 DG B 4 -2.569 -7.423 0.677 1.00 1.00 C ATOM 282 N2 DG B 4 -3.364 -7.623 -0.385 1.00 1.00 N ATOM 283 N3 DG B 4 -2.996 -7.768 1.881 1.00 1.00 N ATOM 284 C4 DG B 4 -2.090 -7.501 2.846 1.00 1.00 C ATOM 0 H5' DG B 4 -5.941 -11.415 3.297 1.00 1.00 H new ATOM 0 H5'' DG B 4 -5.329 -9.966 2.525 1.00 1.00 H new ATOM 0 H4' DG B 4 -5.030 -10.942 5.305 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.615 -8.900 4.473 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.809 -7.577 3.444 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.978 -6.846 5.027 1.00 1.00 H new ATOM 0 H1' DG B 4 -3.207 -8.045 5.951 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.869 -7.361 5.843 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.111 -6.622 -0.542 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.286 -8.042 -0.260 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.047 -7.356 -1.317 1.00 1.00 H new ATOM 296 P DG B 5 -6.744 -7.704 7.005 1.00 1.00 P ATOM 297 OP1 DG B 5 -7.300 -8.217 8.282 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.662 -7.168 5.973 1.00 1.00 O ATOM 299 O5' DG B 5 -5.674 -6.582 7.354 1.00 1.00 O ATOM 300 C5' DG B 5 -4.716 -6.789 8.392 1.00 1.00 C ATOM 301 C4' DG B 5 -3.739 -5.637 8.445 1.00 1.00 C ATOM 302 O4' DG B 5 -2.845 -5.688 7.316 1.00 1.00 O ATOM 303 C3' DG B 5 -4.358 -4.249 8.338 1.00 1.00 C ATOM 304 O3' DG B 5 -4.845 -3.795 9.607 1.00 1.00 O ATOM 305 C2' DG B 5 -3.191 -3.403 7.862 1.00 1.00 C ATOM 306 C1' DG B 5 -2.280 -4.395 7.143 1.00 1.00 C ATOM 307 N9 DG B 5 -2.146 -4.136 5.714 1.00 1.00 N ATOM 308 C8 DG B 5 -3.115 -4.267 4.752 1.00 1.00 C ATOM 309 N7 DG B 5 -2.703 -3.935 3.556 1.00 1.00 N ATOM 310 C5 DG B 5 -1.380 -3.556 3.746 1.00 1.00 C ATOM 311 C6 DG B 5 -0.411 -3.092 2.816 1.00 1.00 C ATOM 312 O6 DG B 5 -0.535 -2.916 1.595 1.00 1.00 O ATOM 313 N1 DG B 5 0.811 -2.817 3.428 1.00 1.00 N ATOM 314 C2 DG B 5 1.057 -2.976 4.773 1.00 1.00 C ATOM 315 N2 DG B 5 2.286 -2.658 5.195 1.00 1.00 N ATOM 316 N3 DG B 5 0.165 -3.405 5.648 1.00 1.00 N ATOM 317 C4 DG B 5 -1.023 -3.676 5.071 1.00 1.00 C ATOM 0 H5' DG B 5 -4.179 -7.722 8.219 1.00 1.00 H new ATOM 0 H5'' DG B 5 -5.225 -6.887 9.351 1.00 1.00 H new ATOM 0 H4' DG B 5 -3.265 -5.761 9.419 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.222 -4.211 7.674 1.00 1.00 H new ATOM 0 H2' DG B 5 -3.522 -2.608 7.193 1.00 1.00 H new ATOM 0 H2'' DG B 5 -2.679 -2.925 8.697 1.00 1.00 H new ATOM 0 HO3' DG B 5 -5.235 -2.901 9.507 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.282 -4.304 7.571 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.118 -4.610 4.961 1.00 1.00 H new ATOM 0 H1 DG B 5 1.572 -2.476 2.841 1.00 1.00 H new ATOM 0 H21 DG B 5 2.528 -2.755 6.181 1.00 1.00 H new ATOM 0 H22 DG B 5 2.981 -2.319 4.530 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.832 2.650 -3.328 1.00 1.00 O ATOM 332 C5' DG C 1 7.316 3.854 -3.922 1.00 1.00 C ATOM 333 C4' DG C 1 6.490 4.212 -5.135 1.00 1.00 C ATOM 334 O4' DG C 1 5.245 3.474 -5.073 1.00 1.00 O ATOM 335 C3' DG C 1 6.100 5.686 -5.237 1.00 1.00 C ATOM 336 O3' DG C 1 6.087 6.093 -6.610 1.00 1.00 O ATOM 337 C2' DG C 1 4.698 5.706 -4.654 1.00 1.00 C ATOM 338 C1' DG C 1 4.155 4.379 -5.144 1.00 1.00 C ATOM 339 N9 DG C 1 3.045 3.827 -4.371 1.00 1.00 N ATOM 340 C8 DG C 1 1.795 3.520 -4.851 1.00 1.00 C ATOM 341 N7 DG C 1 1.005 3.003 -3.951 1.00 1.00 N ATOM 342 C5 DG C 1 1.780 2.965 -2.802 1.00 1.00 C ATOM 343 C6 DG C 1 1.452 2.506 -1.500 1.00 1.00 C ATOM 344 O6 DG C 1 0.380 2.014 -1.109 1.00 1.00 O ATOM 345 N1 DG C 1 2.514 2.645 -0.614 1.00 1.00 N ATOM 346 C2 DG C 1 3.745 3.164 -0.955 1.00 1.00 C ATOM 347 N2 DG C 1 4.664 3.214 0.020 1.00 1.00 N ATOM 348 N3 DG C 1 4.064 3.597 -2.167 1.00 1.00 N ATOM 349 C4 DG C 1 3.041 3.471 -3.038 1.00 1.00 C ATOM 0 H5' DG C 1 8.360 3.731 -4.209 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.278 4.666 -3.196 1.00 1.00 H new ATOM 0 H4' DG C 1 7.116 3.971 -5.994 1.00 1.00 H new ATOM 0 H3' DG C 1 6.785 6.361 -4.723 1.00 1.00 H new ATOM 0 H2' DG C 1 4.706 5.771 -3.566 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.113 6.550 -5.019 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.852 2.649 -3.343 1.00 1.00 H new ATOM 0 H1' DG C 1 3.749 4.534 -6.143 1.00 1.00 H new ATOM 0 H8 DG C 1 1.495 3.690 -5.875 1.00 1.00 H new ATOM 0 H1 DG C 1 2.374 2.344 0.350 1.00 1.00 H new ATOM 0 H21 DG C 1 5.593 3.588 -0.173 1.00 1.00 H new ATOM 0 H22 DG C 1 4.434 2.878 0.955 1.00 1.00 H new ATOM 362 P DG C 2 6.055 7.650 -6.996 1.00 1.00 P ATOM 363 OP1 DG C 2 6.714 7.807 -8.314 1.00 1.00 O ATOM 364 OP2 DG C 2 6.564 8.414 -5.833 1.00 1.00 O ATOM 365 O5' DG C 2 4.507 7.971 -7.170 1.00 1.00 O ATOM 366 C5' DG C 2 3.745 7.306 -8.176 1.00 1.00 C ATOM 367 C4' DG C 2 2.268 7.512 -7.946 1.00 1.00 C ATOM 368 O4' DG C 2 1.856 6.785 -6.761 1.00 1.00 O ATOM 369 C3' DG C 2 1.846 8.966 -7.711 1.00 1.00 C ATOM 370 O3' DG C 2 0.657 9.245 -8.457 1.00 1.00 O ATOM 371 C2' DG C 2 1.572 9.011 -6.218 1.00 1.00 C ATOM 372 C1' DG C 2 1.007 7.625 -6.003 1.00 1.00 C ATOM 373 N9 DG C 2 0.987 7.159 -4.620 1.00 1.00 N ATOM 374 C8 DG C 2 1.923 7.388 -3.640 1.00 1.00 C ATOM 375 N7 DG C 2 1.603 6.865 -2.489 1.00 1.00 N ATOM 376 C5 DG C 2 0.379 6.252 -2.723 1.00 1.00 C ATOM 377 C6 DG C 2 -0.466 5.524 -1.848 1.00 1.00 C ATOM 378 O6 DG C 2 -0.279 5.256 -0.653 1.00 1.00 O ATOM 379 N1 DG C 2 -1.620 5.073 -2.486 1.00 1.00 N ATOM 380 C2 DG C 2 -1.911 5.303 -3.814 1.00 1.00 C ATOM 381 N2 DG C 2 -3.058 4.790 -4.280 1.00 1.00 N ATOM 382 N3 DG C 2 -1.131 5.980 -4.638 1.00 1.00 N ATOM 383 C4 DG C 2 -0.012 6.423 -4.031 1.00 1.00 C ATOM 0 H5' DG C 2 3.975 6.240 -8.169 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.022 7.685 -9.160 1.00 1.00 H new ATOM 0 H4' DG C 2 1.797 7.163 -8.865 1.00 1.00 H new ATOM 0 H3' DG C 2 2.590 9.699 -8.023 1.00 1.00 H new ATOM 0 H2' DG C 2 2.476 9.186 -5.635 1.00 1.00 H new ATOM 0 H2'' DG C 2 0.863 9.794 -5.949 1.00 1.00 H new ATOM 0 H1' DG C 2 -0.042 7.621 -6.298 1.00 1.00 H new ATOM 0 H8 DG C 2 2.833 7.946 -3.807 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.292 4.539 -1.935 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.321 4.931 -5.255 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.668 4.258 -3.659 1.00 1.00 H new HETATM 395 P AZW C 3 0.177 10.756 -8.708 1.00 1.00 P HETATM 396 OP1 AZW C 3 0.179 10.999 -10.169 1.00 1.00 O HETATM 397 OP2 AZW C 3 0.971 11.643 -7.825 1.00 1.00 O HETATM 398 O5' AZW C 3 -1.330 10.766 -8.195 1.00 1.00 O HETATM 399 C5' AZW C 3 -2.237 9.726 -8.563 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.875 9.121 -7.325 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.612 7.933 -7.441 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.755 9.750 -6.073 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.231 7.377 -6.317 1.00 1.00 C HETATM 404 C5A AZW C 3 -3.377 9.189 -4.946 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.117 8.005 -5.069 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.778 7.458 -3.947 1.00 1.00 N HETATM 407 C1B AZW C 3 -8.069 6.261 -0.283 1.00 1.00 C HETATM 408 C2B AZW C 3 -8.766 6.739 -1.403 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.666 6.309 -0.264 1.00 1.00 C HETATM 410 C3B AZW C 3 -8.064 7.256 -2.494 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.964 6.832 -1.358 1.00 1.00 C HETATM 412 C4B AZW C 3 -6.664 7.304 -2.476 1.00 1.00 C HETATM 413 N5B AZW C 3 -5.969 7.837 -3.585 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.818 5.668 0.895 1.00 1.00 C HETATM 415 O3' AZW C 3 -10.099 6.271 1.050 1.00 1.00 O ATOM 428 P DG C 4 -11.420 5.485 0.583 1.00 1.00 P ATOM 429 OP1 DG C 4 -12.419 6.509 0.201 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.770 4.478 1.611 1.00 1.00 O ATOM 431 O5' DG C 4 -10.977 4.728 -0.744 1.00 1.00 O ATOM 432 C5' DG C 4 -11.163 3.321 -0.904 1.00 1.00 C ATOM 433 C4' DG C 4 -10.922 2.940 -2.346 1.00 1.00 C ATOM 434 O4' DG C 4 -9.666 3.520 -2.772 1.00 1.00 O ATOM 435 C3' DG C 4 -10.803 1.439 -2.617 1.00 1.00 C ATOM 436 O3' DG C 4 -11.334 1.136 -3.913 1.00 1.00 O ATOM 437 C2' DG C 4 -9.302 1.212 -2.572 1.00 1.00 C ATOM 438 C1' DG C 4 -8.790 2.493 -3.206 1.00 1.00 C ATOM 439 N9 DG C 4 -7.425 2.879 -2.856 1.00 1.00 N ATOM 440 C8 DG C 4 -6.456 3.295 -3.737 1.00 1.00 C ATOM 441 N7 DG C 4 -5.324 3.587 -3.162 1.00 1.00 N ATOM 442 C5 DG C 4 -5.552 3.349 -1.815 1.00 1.00 C ATOM 443 C6 DG C 4 -4.678 3.492 -0.707 1.00 1.00 C ATOM 444 O6 DG C 4 -3.495 3.861 -0.707 1.00 1.00 O ATOM 445 N1 DG C 4 -5.295 3.150 0.492 1.00 1.00 N ATOM 446 C2 DG C 4 -6.598 2.718 0.598 1.00 1.00 C ATOM 447 N2 DG C 4 -7.033 2.427 1.834 1.00 1.00 N ATOM 448 N3 DG C 4 -7.423 2.583 -0.428 1.00 1.00 N ATOM 449 C4 DG C 4 -6.841 2.910 -1.602 1.00 1.00 C ATOM 0 H5' DG C 4 -12.174 3.041 -0.607 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.478 2.777 -0.254 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.797 3.305 -2.884 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.349 0.812 -1.912 1.00 1.00 H new ATOM 0 H2' DG C 4 -8.936 1.082 -1.554 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.003 0.327 -3.133 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.767 2.331 -4.284 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.617 3.372 -4.802 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.746 3.224 1.349 1.00 1.00 H new ATOM 0 H21 DG C 4 -7.990 2.102 1.975 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.407 2.531 2.633 1.00 1.00 H new ATOM 461 P DG C 5 -11.369 -0.375 -4.456 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.449 -0.474 -5.466 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.386 -1.283 -3.284 1.00 1.00 O ATOM 464 O5' DG C 5 -9.975 -0.545 -5.209 1.00 1.00 O ATOM 465 C5' DG C 5 -9.710 0.180 -6.409 1.00 1.00 C ATOM 466 C4' DG C 5 -8.251 0.079 -6.788 1.00 1.00 C ATOM 467 O4' DG C 5 -7.426 0.678 -5.767 1.00 1.00 O ATOM 468 C3' DG C 5 -7.701 -1.341 -6.905 1.00 1.00 C ATOM 469 O3' DG C 5 -7.886 -1.861 -8.229 1.00 1.00 O ATOM 470 C2' DG C 5 -6.221 -1.186 -6.585 1.00 1.00 C ATOM 471 C1' DG C 5 -6.105 0.191 -5.938 1.00 1.00 C ATOM 472 N9 DG C 5 -5.441 0.179 -4.638 1.00 1.00 N ATOM 473 C8 DG C 5 -5.934 -0.322 -3.458 1.00 1.00 C ATOM 474 N7 DG C 5 -5.106 -0.191 -2.456 1.00 1.00 N ATOM 475 C5 DG C 5 -3.996 0.435 -3.010 1.00 1.00 C ATOM 476 C6 DG C 5 -2.771 0.837 -2.411 1.00 1.00 C ATOM 477 O6 DG C 5 -2.409 0.704 -1.232 1.00 1.00 O ATOM 478 N1 DG C 5 -1.916 1.439 -3.329 1.00 1.00 N ATOM 479 C2 DG C 5 -2.212 1.623 -4.661 1.00 1.00 C ATOM 480 N2 DG C 5 -1.272 2.221 -5.405 1.00 1.00 N ATOM 481 N3 DG C 5 -3.346 1.251 -5.232 1.00 1.00 N ATOM 482 C4 DG C 5 -4.187 0.668 -4.354 1.00 1.00 C ATOM 0 H5' DG C 5 -9.983 1.227 -6.274 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.328 -0.209 -7.218 1.00 1.00 H new ATOM 0 H4' DG C 5 -8.214 0.572 -7.759 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.206 -2.041 -6.240 1.00 1.00 H new ATOM 0 H2' DG C 5 -5.878 -1.970 -5.910 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.612 -1.252 -7.487 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.524 -2.770 -8.277 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.494 0.818 -6.587 1.00 1.00 H new ATOM 0 H8 DG C 5 -6.909 -0.779 -3.368 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.010 1.766 -2.993 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.435 2.384 -6.399 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.393 2.513 -4.978 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -6.876 -4.159 3.105 1.00 1.00 O ATOM 497 C5' DG D 1 -7.942 -3.612 3.881 1.00 1.00 C ATOM 498 C4' DG D 1 -7.427 -3.131 5.217 1.00 1.00 C ATOM 499 O4' DG D 1 -6.016 -2.840 5.074 1.00 1.00 O ATOM 500 C3' DG D 1 -8.080 -1.854 5.752 1.00 1.00 C ATOM 501 O3' DG D 1 -8.345 -1.981 7.155 1.00 1.00 O ATOM 502 C2' DG D 1 -7.038 -0.780 5.496 1.00 1.00 C ATOM 503 C1' DG D 1 -5.742 -1.556 5.606 1.00 1.00 C ATOM 504 N9 DG D 1 -4.616 -0.979 4.875 1.00 1.00 N ATOM 505 C8 DG D 1 -3.440 -0.525 5.419 1.00 1.00 C ATOM 506 N7 DG D 1 -2.609 -0.045 4.535 1.00 1.00 N ATOM 507 C5 DG D 1 -3.278 -0.187 3.329 1.00 1.00 C ATOM 508 C6 DG D 1 -2.871 0.165 2.021 1.00 1.00 C ATOM 509 O6 DG D 1 -1.799 0.684 1.668 1.00 1.00 O ATOM 510 N1 DG D 1 -3.841 -0.140 1.071 1.00 1.00 N ATOM 511 C2 DG D 1 -5.054 -0.722 1.361 1.00 1.00 C ATOM 512 N2 DG D 1 -5.864 -0.962 0.320 1.00 1.00 N ATOM 513 N3 DG D 1 -5.448 -1.054 2.582 1.00 1.00 N ATOM 514 C4 DG D 1 -4.518 -0.762 3.516 1.00 1.00 C ATOM 0 H5' DG D 1 -8.715 -4.366 4.032 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.405 -2.785 3.343 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.658 -3.929 5.923 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.036 -1.632 5.278 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.157 -0.324 4.513 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.094 0.024 6.230 1.00 1.00 H new ATOM 0 HO5' DG D 1 -6.019 -3.839 3.456 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.435 -1.557 6.652 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.224 -0.562 6.476 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.640 0.082 0.096 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.776 -1.392 0.472 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.568 -0.715 -0.624 1.00 1.00 H new ATOM 527 P DG D 2 -9.235 -0.880 7.912 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.945 -1.563 9.018 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.015 -0.119 6.907 1.00 1.00 O ATOM 530 O5' DG D 2 -8.163 0.105 8.554 1.00 1.00 O ATOM 531 C5' DG D 2 -7.095 -0.404 9.349 1.00 1.00 C ATOM 532 C4' DG D 2 -5.999 0.629 9.469 1.00 1.00 C ATOM 533 O4' DG D 2 -5.361 0.814 8.177 1.00 1.00 O ATOM 534 C3' DG D 2 -6.462 2.023 9.905 1.00 1.00 C ATOM 535 O3' DG D 2 -5.519 2.557 10.845 1.00 1.00 O ATOM 536 C2' DG D 2 -6.446 2.793 8.594 1.00 1.00 C ATOM 537 C1' DG D 2 -5.208 2.205 7.965 1.00 1.00 C ATOM 538 N9 DG D 2 -5.040 2.471 6.539 1.00 1.00 N ATOM 539 C8 DG D 2 -5.988 2.380 5.547 1.00 1.00 C ATOM 540 N7 DG D 2 -5.534 2.704 4.367 1.00 1.00 N ATOM 541 C5 DG D 2 -4.204 3.032 4.591 1.00 1.00 C ATOM 542 C6 DG D 2 -3.201 3.462 3.686 1.00 1.00 C ATOM 543 O6 DG D 2 -3.297 3.632 2.462 1.00 1.00 O ATOM 544 N1 DG D 2 -1.983 3.691 4.323 1.00 1.00 N ATOM 545 C2 DG D 2 -1.770 3.520 5.671 1.00 1.00 C ATOM 546 N2 DG D 2 -0.536 3.787 6.126 1.00 1.00 N ATOM 547 N3 DG D 2 -2.697 3.117 6.525 1.00 1.00 N ATOM 548 C4 DG D 2 -3.884 2.893 5.923 1.00 1.00 C ATOM 0 H5' DG D 2 -6.699 -1.315 8.900 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.464 -0.671 10.339 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.337 0.232 10.239 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.434 2.054 10.397 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.341 2.619 7.997 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.367 3.870 8.743 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.320 2.653 8.412 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.007 2.071 5.727 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.198 4.006 3.752 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.323 3.677 7.117 1.00 1.00 H new ATOM 0 H22 DG D 2 0.189 4.100 5.480 1.00 1.00 H new HETATM 560 P AZW D 3 -5.646 4.057 11.407 1.00 1.00 P HETATM 561 OP1 AZW D 3 -5.125 4.044 12.794 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.018 4.558 11.157 1.00 1.00 O HETATM 563 O5' AZW D 3 -4.637 4.896 10.508 1.00 1.00 O HETATM 564 C5' AZW D 3 -3.254 4.558 10.432 1.00 1.00 C HETATM 565 C1A AZW D 3 -2.580 5.400 9.372 1.00 1.00 C HETATM 566 C2A AZW D 3 -1.240 5.773 9.531 1.00 1.00 C HETATM 567 C6A AZW D 3 -3.295 5.819 8.238 1.00 1.00 C HETATM 568 C3A AZW D 3 -0.615 6.568 8.565 1.00 1.00 C HETATM 569 C5A AZW D 3 -2.667 6.614 7.266 1.00 1.00 C HETATM 570 C4A AZW D 3 -1.327 6.991 7.433 1.00 1.00 C HETATM 571 N5A AZW D 3 -0.697 7.819 6.479 1.00 1.00 N HETATM 572 C1B AZW D 3 2.344 9.956 3.056 1.00 1.00 C HETATM 573 C2B AZW D 3 2.747 9.958 4.402 1.00 1.00 C HETATM 574 C6B AZW D 3 1.287 9.129 2.651 1.00 1.00 C HETATM 575 C3B AZW D 3 2.097 9.136 5.330 1.00 1.00 C HETATM 576 C5B AZW D 3 0.636 8.309 3.582 1.00 1.00 C HETATM 577 C4B AZW D 3 1.042 8.312 4.923 1.00 1.00 C HETATM 578 N5B AZW D 3 0.397 7.482 5.866 1.00 1.00 N HETATM 579 C3' AZW D 3 3.054 10.823 2.031 1.00 1.00 C HETATM 580 O3' AZW D 3 3.935 11.754 2.655 1.00 1.00 O ATOM 593 P DG D 4 5.480 11.372 2.876 1.00 1.00 P ATOM 594 OP1 DG D 4 5.975 12.140 4.044 1.00 1.00 O ATOM 595 OP2 DG D 4 6.174 11.516 1.573 1.00 1.00 O ATOM 596 O5' DG D 4 5.445 9.827 3.262 1.00 1.00 O ATOM 597 C5' DG D 4 6.627 9.028 3.251 1.00 1.00 C ATOM 598 C4' DG D 4 6.654 8.133 4.468 1.00 1.00 C ATOM 599 O4' DG D 4 5.305 7.694 4.772 1.00 1.00 O ATOM 600 C3' DG D 4 7.484 6.854 4.320 1.00 1.00 C ATOM 601 O3' DG D 4 8.170 6.577 5.550 1.00 1.00 O ATOM 602 C2' DG D 4 6.427 5.802 4.032 1.00 1.00 C ATOM 603 C1' DG D 4 5.295 6.283 4.915 1.00 1.00 C ATOM 604 N9 DG D 4 3.966 5.781 4.579 1.00 1.00 N ATOM 605 C8 DG D 4 3.098 5.150 5.438 1.00 1.00 C ATOM 606 N7 DG D 4 1.968 4.811 4.880 1.00 1.00 N ATOM 607 C5 DG D 4 2.095 5.245 3.567 1.00 1.00 C ATOM 608 C6 DG D 4 1.182 5.154 2.487 1.00 1.00 C ATOM 609 O6 DG D 4 0.051 4.650 2.486 1.00 1.00 O ATOM 610 N1 DG D 4 1.693 5.716 1.320 1.00 1.00 N ATOM 611 C2 DG D 4 2.939 6.293 1.219 1.00 1.00 C ATOM 612 N2 DG D 4 3.276 6.784 0.016 1.00 1.00 N ATOM 613 N3 DG D 4 3.801 6.385 2.221 1.00 1.00 N ATOM 614 C4 DG D 4 3.319 5.846 3.361 1.00 1.00 C ATOM 0 H5' DG D 4 7.509 9.668 3.240 1.00 1.00 H new ATOM 0 H5'' DG D 4 6.660 8.424 2.344 1.00 1.00 H new ATOM 0 H4' DG D 4 7.110 8.745 5.246 1.00 1.00 H new ATOM 0 H3' DG D 4 8.252 6.905 3.548 1.00 1.00 H new ATOM 0 H2' DG D 4 6.147 5.776 2.979 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.760 4.799 4.298 1.00 1.00 H new ATOM 0 H1' DG D 4 5.467 5.914 5.926 1.00 1.00 H new ATOM 0 H8 DG D 4 3.329 4.954 6.475 1.00 1.00 H new ATOM 0 H1 DG D 4 1.106 5.699 0.486 1.00 1.00 H new ATOM 0 H21 DG D 4 4.187 7.223 -0.119 1.00 1.00 H new ATOM 0 H22 DG D 4 2.621 6.718 -0.763 1.00 1.00 H new ATOM 626 P DG D 5 9.165 5.321 5.680 1.00 1.00 P ATOM 627 OP1 DG D 5 10.084 5.611 6.808 1.00 1.00 O ATOM 628 OP2 DG D 5 9.729 5.020 4.344 1.00 1.00 O ATOM 629 O5' DG D 5 8.219 4.118 6.113 1.00 1.00 O ATOM 630 C5' DG D 5 7.551 4.133 7.376 1.00 1.00 C ATOM 631 C4' DG D 5 6.614 2.955 7.499 1.00 1.00 C ATOM 632 O4' DG D 5 5.423 3.180 6.718 1.00 1.00 O ATOM 633 C3' DG D 5 7.142 1.632 6.954 1.00 1.00 C ATOM 634 O3' DG D 5 7.965 0.966 7.923 1.00 1.00 O ATOM 635 C2' DG D 5 5.865 0.850 6.690 1.00 1.00 C ATOM 636 C1' DG D 5 4.791 1.923 6.523 1.00 1.00 C ATOM 637 N9 DG D 5 4.161 1.917 5.206 1.00 1.00 N ATOM 638 C8 DG D 5 4.732 2.282 4.013 1.00 1.00 C ATOM 639 N7 DG D 5 3.916 2.182 2.996 1.00 1.00 N ATOM 640 C5 DG D 5 2.732 1.717 3.553 1.00 1.00 C ATOM 641 C6 DG D 5 1.483 1.410 2.944 1.00 1.00 C ATOM 642 O6 DG D 5 1.170 1.482 1.742 1.00 1.00 O ATOM 643 N1 DG D 5 0.546 0.966 3.873 1.00 1.00 N ATOM 644 C2 DG D 5 0.794 0.830 5.223 1.00 1.00 C ATOM 645 N2 DG D 5 -0.216 0.379 5.981 1.00 1.00 N ATOM 646 N3 DG D 5 1.951 1.110 5.800 1.00 1.00 N ATOM 647 C4 DG D 5 2.869 1.545 4.915 1.00 1.00 C ATOM 0 H5' DG D 5 6.991 5.062 7.486 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.285 4.106 8.181 1.00 1.00 H new ATOM 0 H4' DG D 5 6.460 2.880 8.575 1.00 1.00 H new ATOM 0 H3' DG D 5 7.771 1.746 6.071 1.00 1.00 H new ATOM 0 H2' DG D 5 5.954 0.234 5.795 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.632 0.179 7.517 1.00 1.00 H new ATOM 0 HO3' DG D 5 7.899 -0.004 7.797 1.00 1.00 H new ATOM 0 H1' DG D 5 4.000 1.726 7.247 1.00 1.00 H new ATOM 0 H8 DG D 5 5.754 2.619 3.923 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.385 0.725 3.533 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.086 0.260 6.986 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.114 0.155 5.553 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.316 -4.077 -0.526 1.00 1.00 K HETATM 662 K K A 102 -0.030 -0.473 -0.017 1.00 1.00 K HETATM 663 K K C 101 -1.324 3.239 0.711 1.00 1.00 K