USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 217 hydrogens (22 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.794 (180deg=-0.794) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 17 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -4.053 4.741 2.017 1.00 0.00 O ATOM 2 C5' DT A 1 -3.255 3.754 2.674 1.00 0.00 C ATOM 3 C4' DT A 1 -2.264 4.396 3.642 1.00 0.00 C ATOM 4 O4' DT A 1 -1.458 5.343 2.939 1.00 0.00 O ATOM 5 C3' DT A 1 -2.933 5.138 4.804 1.00 0.00 C ATOM 6 O3' DT A 1 -2.400 4.663 6.051 1.00 0.00 O ATOM 7 C2' DT A 1 -2.558 6.603 4.596 1.00 0.00 C ATOM 8 C1' DT A 1 -1.292 6.489 3.764 1.00 0.00 C ATOM 9 N1 DT A 1 -1.040 7.646 2.883 1.00 0.00 N ATOM 10 C2 DT A 1 0.089 8.401 3.132 1.00 0.00 C ATOM 11 O2 DT A 1 0.864 8.139 4.050 1.00 0.00 O ATOM 12 N3 DT A 1 0.299 9.475 2.284 1.00 0.00 N ATOM 13 C4 DT A 1 -0.513 9.849 1.227 1.00 0.00 C ATOM 14 O4 DT A 1 -0.231 10.825 0.536 1.00 0.00 O ATOM 15 C5 DT A 1 -1.669 9.000 1.045 1.00 0.00 C ATOM 16 C7 DT A 1 -2.647 9.297 -0.086 1.00 0.00 C ATOM 17 C6 DT A 1 -1.894 7.948 1.858 1.00 0.00 C ATOM 0 H5' DT A 1 -2.714 3.168 1.931 1.00 0.00 H new ATOM 0 H5'' DT A 1 -3.901 3.063 3.216 1.00 0.00 H 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ATOM 79 O6 DG A 3 -1.037 1.697 3.359 1.00 0.00 O ATOM 80 N1 DG A 3 -2.963 0.599 3.841 1.00 0.00 N ATOM 81 C2 DG A 3 -3.745 -0.224 4.624 1.00 0.00 C ATOM 82 N2 DG A 3 -4.982 -0.455 4.187 1.00 0.00 N ATOM 83 N3 DG A 3 -3.322 -0.779 5.764 1.00 0.00 N ATOM 84 C4 DG A 3 -2.044 -0.441 6.054 1.00 0.00 C ATOM 0 H5' DG A 3 -0.745 0.270 11.425 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.163 -1.169 11.846 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.191 -1.614 11.364 1.00 0.00 H new ATOM 0 H3' DG A 3 -0.219 -3.311 10.679 1.00 0.00 H new ATOM 0 H2' DG A 3 0.211 -2.514 8.421 1.00 0.00 H new ATOM 0 H2'' DG A 3 -0.984 -3.756 8.105 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.704 -2.257 7.839 1.00 0.00 H new ATOM 0 H8 DG A 3 0.695 -0.415 7.749 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.380 0.973 2.989 1.00 0.00 H new ATOM 0 H21 DG A 3 -5.608 -1.056 4.723 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.303 -0.031 3.317 1.00 0.00 H new ATOM 96 P DG A 4 -2.161 -5.301 9.642 1.00 0.00 P ATOM 97 OP1 DG A 4 -3.005 -6.211 10.449 1.00 0.00 O ATOM 98 OP2 DG A 4 -0.760 -5.670 9.340 1.00 0.00 O ATOM 99 O5' DG A 4 -2.917 -5.012 8.250 1.00 0.00 O ATOM 100 C5' DG A 4 -4.301 -4.649 8.239 1.00 0.00 C ATOM 101 C4' DG A 4 -4.854 -4.583 6.818 1.00 0.00 C ATOM 102 O4' DG A 4 -4.135 -3.601 6.067 1.00 0.00 O ATOM 103 C3' DG A 4 -4.752 -5.907 6.051 1.00 0.00 C ATOM 104 O3' DG A 4 -6.016 -6.203 5.449 1.00 0.00 O ATOM 105 C2' DG A 4 -3.717 -5.636 4.966 1.00 0.00 C ATOM 106 C1' DG A 4 -3.867 -4.138 4.776 1.00 0.00 C ATOM 107 N9 DG A 4 -2.667 -3.466 4.246 1.00 0.00 N ATOM 108 C8 DG A 4 -1.431 -3.334 4.824 1.00 0.00 C ATOM 109 N7 DG A 4 -0.577 -2.665 4.100 1.00 0.00 N ATOM 110 C5 DG A 4 -1.296 -2.329 2.958 1.00 0.00 C ATOM 111 C6 DG A 4 -0.890 -1.597 1.809 1.00 0.00 C ATOM 112 O6 DG A 4 0.206 -1.094 1.574 1.00 0.00 O ATOM 113 N1 DG A 4 -1.923 -1.483 0.888 1.00 0.00 N ATOM 114 C2 DG A 4 -3.188 -2.006 1.048 1.00 0.00 C ATOM 115 N2 DG A 4 -4.046 -1.793 0.050 1.00 0.00 N ATOM 116 N3 DG A 4 -3.572 -2.694 2.128 1.00 0.00 N ATOM 117 C4 DG A 4 -2.577 -2.815 3.039 1.00 0.00 C ATOM 0 H5' DG A 4 -4.428 -3.681 8.724 1.00 0.00 H new ATOM 0 H5'' DG A 4 -4.872 -5.374 8.819 1.00 0.00 H new ATOM 0 H4' DG A 4 -5.910 -4.334 6.925 1.00 0.00 H new ATOM 0 H3' DG A 4 -4.479 -6.748 6.689 1.00 0.00 H new ATOM 0 H2' DG A 4 -2.710 -5.911 5.281 1.00 0.00 H new ATOM 0 H2'' DG A 4 -3.927 -6.189 4.051 1.00 0.00 H new ATOM 0 H1' DG A 4 -4.657 -3.970 4.043 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.186 -3.747 5.792 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.731 -0.973 0.026 1.00 0.00 H new ATOM 0 H21 DG A 4 -4.998 -2.155 0.110 1.00 0.00 H new ATOM 0 H22 DG A 4 -3.751 -1.268 -0.773 1.00 0.00 H new ATOM 129 P DT A 5 -6.346 -7.687 4.920 1.00 0.00 P ATOM 130 OP1 DT A 5 -6.596 -8.553 6.094 1.00 0.00 O ATOM 131 OP2 DT A 5 -5.312 -8.066 3.930 1.00 0.00 O ATOM 132 O5' DT A 5 -7.739 -7.481 4.139 1.00 0.00 O ATOM 133 C5' DT A 5 -7.755 -6.969 2.804 1.00 0.00 C ATOM 134 C4' DT A 5 -9.162 -6.563 2.374 1.00 0.00 C ATOM 135 O4' DT A 5 -10.041 -7.685 2.487 1.00 0.00 O ATOM 136 C3' DT A 5 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H1' DT A 5 -11.970 -6.850 2.205 1.00 0.00 H new ATOM 0 H3 DT A 5 -14.702 -10.119 3.344 1.00 0.00 H new ATOM 0 H71 DT A 5 -10.318 -10.600 6.436 1.00 0.00 H new ATOM 0 H72 DT A 5 -11.736 -10.189 7.429 1.00 0.00 H new ATOM 0 H73 DT A 5 -11.686 -11.733 6.546 1.00 0.00 H new ATOM 0 H6 DT A 5 -10.481 -8.634 5.097 1.00 0.00 H new ATOM 161 P DG A 6 -10.723 -2.981 2.948 1.00 0.00 P ATOM 162 OP1 DG A 6 -9.867 -2.626 4.103 1.00 0.00 O ATOM 163 OP2 DG A 6 -12.191 -3.068 3.117 1.00 0.00 O ATOM 164 O5' DG A 6 -10.414 -1.947 1.754 1.00 0.00 O ATOM 165 C5' DG A 6 -11.474 -1.223 1.122 1.00 0.00 C ATOM 166 C4' DG A 6 -10.981 -0.488 -0.121 1.00 0.00 C ATOM 167 O4' DG A 6 -9.887 0.364 0.234 1.00 0.00 O ATOM 168 C3' DG A 6 -10.496 -1.418 -1.235 1.00 0.00 C ATOM 169 O3' DG A 6 -11.044 -0.997 -2.489 1.00 0.00 O ATOM 170 C2' DG A 6 -8.984 -1.245 -1.246 1.00 0.00 C ATOM 171 C1' DG A 6 -8.825 0.163 -0.695 1.00 0.00 C ATOM 172 N9 DG A 6 -7.556 0.385 0.021 1.00 0.00 N ATOM 173 C8 DG A 6 -7.181 -0.064 1.259 1.00 0.00 C ATOM 174 N7 DG A 6 -5.982 0.301 1.615 1.00 0.00 N ATOM 175 C5 DG A 6 -5.526 1.049 0.534 1.00 0.00 C ATOM 176 C6 DG A 6 -4.282 1.708 0.344 1.00 0.00 C ATOM 177 O6 DG A 6 -3.320 1.759 1.108 1.00 0.00 O ATOM 178 N1 DG A 6 -4.228 2.349 -0.886 1.00 0.00 N ATOM 179 C2 DG A 6 -5.243 2.356 -1.820 1.00 0.00 C ATOM 180 N2 DG A 6 -5.005 3.028 -2.947 1.00 0.00 N ATOM 181 N3 DG A 6 -6.414 1.737 -1.643 1.00 0.00 N ATOM 182 C4 DG A 6 -6.484 1.107 -0.447 1.00 0.00 C ATOM 0 H5' DG A 6 -11.898 -0.507 1.826 1.00 0.00 H new ATOM 0 H5'' DG A 6 -12.273 -1.911 0.847 1.00 0.00 H new ATOM 0 H4' DG A 6 -11.837 0.070 -0.499 1.00 0.00 H new ATOM 0 H3' DG A 6 -10.796 -2.454 -1.077 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.484 -1.986 -0.623 1.00 0.00 H new ATOM 0 H2'' DG A 6 -8.569 -1.340 -2.250 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.837 0.853 -1.538 1.00 0.00 H new ATOM 0 H8 DG A 6 -7.822 -0.667 1.885 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.372 2.854 -1.117 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.717 3.070 -3.676 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.111 3.500 -3.080 1.00 0.00 H new ATOM 194 P DG A 7 -10.950 -1.956 -3.780 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.154 -1.739 -4.611 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.612 -3.318 -3.316 1.00 0.00 O ATOM 197 O5' DG A 7 -9.679 -1.365 -4.572 1.00 0.00 O ATOM 198 C5' DG A 7 -9.840 -0.301 -5.516 1.00 0.00 C ATOM 199 C4' DG A 7 -8.511 0.076 -6.166 1.00 0.00 C ATOM 200 O4' DG A 7 -7.567 0.424 -5.154 1.00 0.00 O ATOM 201 C3' DG A 7 -7.887 -1.051 -6.999 1.00 0.00 C ATOM 202 O3' DG A 7 -7.748 -0.621 -8.357 1.00 0.00 O ATOM 203 C2' DG A 7 -6.506 -1.279 -6.386 1.00 0.00 C ATOM 204 C1' DG A 7 -6.283 -0.002 -5.593 1.00 0.00 C ATOM 205 N9 DG A 7 -5.431 -0.175 -4.402 1.00 0.00 N ATOM 206 C8 DG A 7 -5.714 -0.829 -3.231 1.00 0.00 C ATOM 207 N7 DG A 7 -4.736 -0.818 -2.369 1.00 0.00 N ATOM 208 C5 DG A 7 -3.730 -0.105 -3.013 1.00 0.00 C ATOM 209 C6 DG A 7 -2.423 0.231 -2.566 1.00 0.00 C ATOM 210 O6 DG A 7 -1.890 -0.044 -1.493 1.00 0.00 O ATOM 211 N1 DG A 7 -1.729 0.959 -3.524 1.00 0.00 N ATOM 212 C2 DG A 7 -2.227 1.319 -4.759 1.00 0.00 C ATOM 213 N2 DG A 7 -1.410 2.020 -5.544 1.00 0.00 N ATOM 214 N3 DG A 7 -3.456 1.004 -5.180 1.00 0.00 N ATOM 215 C4 DG A 7 -4.147 0.293 -4.258 1.00 0.00 C ATOM 0 H5' DG A 7 -10.261 0.571 -5.015 1.00 0.00 H new ATOM 0 H5'' DG A 7 -10.551 -0.601 -6.286 1.00 0.00 H new ATOM 0 H4' DG A 7 -8.734 0.908 -6.834 1.00 0.00 H new ATOM 0 H3' DG A 7 -8.494 -1.956 -6.994 1.00 0.00 H new ATOM 0 H2' DG A 7 -6.486 -2.162 -5.747 1.00 0.00 H new ATOM 0 H2'' DG A 7 -5.741 -1.421 -7.150 1.00 0.00 H new ATOM 0 H1' DG A 7 -5.771 0.712 -6.238 1.00 0.00 H new ATOM 0 H8 DG A 7 -6.662 -1.310 -3.040 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.778 1.250 -3.297 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.721 2.316 -6.469 1.00 0.00 H new ATOM 0 H22 DG A 7 -0.473 2.261 -5.220 1.00 0.00 H new ATOM 227 P DG A 8 -7.138 -1.615 -9.467 1.00 0.00 P ATOM 228 OP1 DG A 8 -7.685 -1.233 -10.789 1.00 0.00 O ATOM 229 OP2 DG A 8 -7.296 -3.004 -8.979 1.00 0.00 O ATOM 230 O5' DG A 8 -5.570 -1.251 -9.447 1.00 0.00 O ATOM 231 C5' DG A 8 -5.088 -0.071 -10.099 1.00 0.00 C ATOM 232 C4' DG A 8 -3.564 -0.008 -10.082 1.00 0.00 C ATOM 233 O4' DG A 8 -3.097 -0.049 -8.734 1.00 0.00 O ATOM 234 C3' DG A 8 -2.890 -1.166 -10.828 1.00 0.00 C ATOM 235 O3' DG A 8 -2.114 -0.651 -11.917 1.00 0.00 O ATOM 236 C2' DG A 8 -1.972 -1.825 -9.798 1.00 0.00 C ATOM 237 C1' DG A 8 -1.864 -0.756 -8.721 1.00 0.00 C ATOM 238 N9 DG A 8 -1.660 -1.293 -7.362 1.00 0.00 N ATOM 239 C8 DG A 8 -2.516 -2.043 -6.600 1.00 0.00 C ATOM 240 N7 DG A 8 -2.033 -2.382 -5.438 1.00 0.00 N ATOM 241 C5 DG A 8 -0.762 -1.815 -5.427 1.00 0.00 C ATOM 242 C6 DG A 8 0.241 -1.848 -4.420 1.00 0.00 C ATOM 243 O6 DG A 8 0.201 -2.398 -3.321 1.00 0.00 O ATOM 244 N1 DG A 8 1.376 -1.149 -4.809 1.00 0.00 N ATOM 245 C2 DG A 8 1.531 -0.500 -6.016 1.00 0.00 C ATOM 246 N2 DG A 8 2.694 0.120 -6.208 1.00 0.00 N ATOM 247 N3 DG A 8 0.589 -0.469 -6.963 1.00 0.00 N ATOM 248 C4 DG A 8 -0.526 -1.145 -6.601 1.00 0.00 C ATOM 0 H5' DG A 8 -5.496 0.811 -9.605 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.443 -0.052 -11.129 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.302 0.922 -10.586 1.00 0.00 H new ATOM 0 H3' DG A 8 -3.613 -1.870 -11.240 1.00 0.00 H new ATOM 0 H2' DG A 8 -2.397 -2.751 -9.410 1.00 0.00 H new ATOM 0 H2'' DG A 8 -0.999 -2.074 -10.222 1.00 0.00 H new ATOM 0 H1' DG A 8 -0.994 -0.137 -8.943 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.503 -2.328 -6.932 1.00 0.00 H new ATOM 0 H1 DG A 8 2.155 -1.113 -4.152 1.00 0.00 H new ATOM 0 H21 DG A 8 2.869 0.618 -7.081 1.00 0.00 H new ATOM 0 H22 DG A 8 3.410 0.097 -5.482 1.00 0.00 H new ATOM 260 P DT A 9 -0.911 0.391 -11.665 1.00 0.00 P ATOM 261 OP1 DT A 9 -0.175 0.560 -12.939 1.00 0.00 O ATOM 262 OP2 DT A 9 -0.184 -0.020 -10.444 1.00 0.00 O ATOM 263 O5' DT A 9 -1.689 1.766 -11.353 1.00 0.00 O ATOM 264 C5' DT A 9 -0.961 2.987 -11.195 1.00 0.00 C ATOM 265 C4' DT A 9 -1.805 4.199 -11.577 1.00 0.00 C ATOM 266 O4' DT A 9 -2.281 4.047 -12.918 1.00 0.00 O ATOM 267 C3' DT A 9 -3.030 4.415 -10.682 1.00 0.00 C ATOM 268 O3' DT A 9 -3.076 5.784 -10.272 1.00 0.00 O ATOM 269 C2' DT A 9 -4.219 4.107 -11.586 1.00 0.00 C ATOM 270 C1' DT A 9 -3.651 4.434 -12.954 1.00 0.00 C ATOM 271 N1 DT A 9 -4.295 3.713 -14.069 1.00 0.00 N ATOM 272 C2 DT A 9 -4.851 4.472 -15.081 1.00 0.00 C ATOM 273 O2 DT A 9 -4.823 5.701 -15.069 1.00 0.00 O ATOM 274 N3 DT A 9 -5.444 3.767 -16.113 1.00 0.00 N ATOM 275 C4 DT A 9 -5.525 2.389 -16.216 1.00 0.00 C ATOM 276 O4 DT A 9 -6.077 1.864 -17.182 1.00 0.00 O ATOM 277 C5 DT A 9 -4.917 1.681 -15.113 1.00 0.00 C ATOM 278 C7 DT A 9 -4.933 0.155 -15.100 1.00 0.00 C ATOM 279 C6 DT A 9 -4.334 2.346 -14.096 1.00 0.00 C ATOM 0 H5' DT A 9 -0.064 2.959 -11.813 1.00 0.00 H new ATOM 0 H5'' DT A 9 -0.632 3.084 -10.160 1.00 0.00 H new ATOM 0 H4' DT A 9 -1.148 5.061 -11.461 1.00 0.00 H new ATOM 0 H3' DT A 9 -3.017 3.796 -9.785 1.00 0.00 H new ATOM 0 H2' DT A 9 -4.533 3.066 -11.510 1.00 0.00 H new ATOM 0 H2'' DT A 9 -5.087 4.720 -11.345 1.00 0.00 H new ATOM 0 H1' DT A 9 -3.815 5.495 -13.141 1.00 0.00 H new ATOM 0 H3 DT A 9 -5.860 4.313 -16.868 1.00 0.00 H new ATOM 0 H71 DT A 9 -4.053 -0.214 -14.572 1.00 0.00 H new ATOM 0 H72 DT A 9 -5.833 -0.195 -14.594 1.00 0.00 H new ATOM 0 H73 DT A 9 -4.924 -0.218 -16.124 1.00 0.00 H new ATOM 0 H6 DT A 9 -3.888 1.788 -13.286 1.00 0.00 H new ATOM 292 P DG A 10 -4.378 6.383 -9.537 1.00 0.00 P ATOM 293 OP1 DG A 10 -5.212 5.253 -9.072 1.00 0.00 O ATOM 294 OP2 DG A 10 -4.966 7.421 -10.412 1.00 0.00 O ATOM 295 O5' DG A 10 -3.751 7.109 -8.244 1.00 0.00 O ATOM 296 C5' DG A 10 -2.843 8.206 -8.392 1.00 0.00 C ATOM 297 C4' DG A 10 -1.460 7.864 -7.844 1.00 0.00 C ATOM 298 O4' DG A 10 -1.569 7.502 -6.466 1.00 0.00 O ATOM 299 C3' DG A 10 -0.775 6.698 -8.569 1.00 0.00 C ATOM 300 O3' DG A 10 0.521 7.109 -9.019 1.00 0.00 O ATOM 301 C2' DG A 10 -0.631 5.612 -7.506 1.00 0.00 C ATOM 302 C1' DG A 10 -0.676 6.422 -6.222 1.00 0.00 C ATOM 303 N9 DG A 10 -1.175 5.673 -5.053 1.00 0.00 N ATOM 304 C8 DG A 10 -2.396 5.078 -4.872 1.00 0.00 C ATOM 305 N7 DG A 10 -2.528 4.483 -3.720 1.00 0.00 N ATOM 306 C5 DG A 10 -1.306 4.697 -3.090 1.00 0.00 C ATOM 307 C6 DG A 10 -0.857 4.281 -1.806 1.00 0.00 C ATOM 308 O6 DG A 10 -1.465 3.627 -0.961 1.00 0.00 O ATOM 309 N1 DG A 10 0.441 4.707 -1.559 1.00 0.00 N ATOM 310 C2 DG A 10 1.212 5.442 -2.434 1.00 0.00 C ATOM 311 N2 DG A 10 2.439 5.759 -2.018 1.00 0.00 N ATOM 312 N3 DG A 10 0.793 5.833 -3.641 1.00 0.00 N ATOM 313 C4 DG A 10 -0.472 5.427 -3.900 1.00 0.00 C ATOM 0 H5' DG A 10 -3.237 9.079 -7.871 1.00 0.00 H new ATOM 0 H5'' DG A 10 -2.762 8.474 -9.446 1.00 0.00 H new ATOM 0 H4' DG A 10 -0.854 8.757 -7.994 1.00 0.00 H new ATOM 0 H3' DG A 10 -1.337 6.357 -9.438 1.00 0.00 H new ATOM 0 H2' DG A 10 -1.438 4.882 -7.557 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.304 5.061 -7.609 1.00 0.00 H new ATOM 0 H1' DG A 10 0.341 6.728 -5.978 1.00 0.00 H new ATOM 0 H8 DG A 10 -3.178 5.100 -5.616 1.00 0.00 H new ATOM 0 H1 DG A 10 0.856 4.457 -0.661 1.00 0.00 H new ATOM 0 H21 DG A 10 3.057 6.302 -2.621 1.00 0.00 H new ATOM 0 H22 DG A 10 2.759 5.459 -1.097 1.00 0.00 H new ATOM 325 P DG A 11 1.503 6.058 -9.743 1.00 0.00 P ATOM 326 OP1 DG A 11 2.209 6.758 -10.840 1.00 0.00 O ATOM 327 OP2 DG A 11 0.731 4.828 -10.032 1.00 0.00 O ATOM 328 O5' DG A 11 2.575 5.718 -8.590 1.00 0.00 O ATOM 329 C5' DG A 11 3.573 6.673 -8.218 1.00 0.00 C ATOM 330 C4' DG A 11 4.558 6.087 -7.211 1.00 0.00 C ATOM 331 O4' DG A 11 3.844 5.603 -6.070 1.00 0.00 O ATOM 332 C3' DG A 11 5.385 4.920 -7.762 1.00 0.00 C ATOM 333 O3' DG A 11 6.773 5.150 -7.495 1.00 0.00 O ATOM 334 C2' DG A 11 4.901 3.703 -6.981 1.00 0.00 C ATOM 335 C1' DG A 11 4.387 4.339 -5.701 1.00 0.00 C ATOM 336 N9 DG A 11 3.321 3.570 -5.030 1.00 0.00 N ATOM 337 C8 DG A 11 2.051 3.302 -5.472 1.00 0.00 C ATOM 338 N7 DG A 11 1.339 2.595 -4.639 1.00 0.00 N ATOM 339 C5 DG A 11 2.198 2.377 -3.567 1.00 0.00 C ATOM 340 C6 DG A 11 1.977 1.666 -2.355 1.00 0.00 C ATOM 341 O6 DG A 11 0.960 1.081 -1.988 1.00 0.00 O ATOM 342 N1 DG A 11 3.103 1.685 -1.542 1.00 0.00 N ATOM 343 C2 DG A 11 4.292 2.309 -1.853 1.00 0.00 C ATOM 344 N2 DG A 11 5.262 2.217 -0.943 1.00 0.00 N ATOM 345 N3 DG A 11 4.501 2.978 -2.991 1.00 0.00 N ATOM 346 C4 DG A 11 3.414 2.970 -3.797 1.00 0.00 C ATOM 0 H5' DG A 11 3.094 7.554 -7.790 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.112 7.003 -9.106 1.00 0.00 H new ATOM 0 H4' DG A 11 5.243 6.897 -6.960 1.00 0.00 H new ATOM 0 H3' DG A 11 5.271 4.794 -8.839 1.00 0.00 H new ATOM 0 H2' DG A 11 4.118 3.162 -7.512 1.00 0.00 H new ATOM 0 H2'' DG A 11 5.706 2.993 -6.790 1.00 0.00 H new ATOM 0 H1' DG A 11 5.218 4.396 -4.998 1.00 0.00 H new ATOM 0 H8 DG A 11 1.674 3.645 -6.424 1.00 0.00 H new ATOM 0 H1 DG A 11 3.046 1.200 -0.646 1.00 0.00 H new ATOM 0 H21 DG A 11 6.166 2.658 -1.115 1.00 0.00 H new ATOM 0 H22 DG A 11 5.100 1.706 -0.075 1.00 0.00 H new ATOM 358 P DG A 12 7.887 4.109 -8.015 1.00 0.00 P ATOM 359 OP1 DG A 12 9.084 4.874 -8.427 1.00 0.00 O ATOM 360 OP2 DG A 12 7.240 3.183 -8.972 1.00 0.00 O ATOM 361 O5' DG A 12 8.249 3.283 -6.683 1.00 0.00 O ATOM 362 C5' DG A 12 9.081 3.860 -5.672 1.00 0.00 C ATOM 363 C4' DG A 12 9.347 2.874 -4.539 1.00 0.00 C ATOM 364 O4' DG A 12 8.106 2.456 -3.972 1.00 0.00 O ATOM 365 C3' DG A 12 10.091 1.609 -4.983 1.00 0.00 C ATOM 366 O3' DG A 12 11.337 1.514 -4.282 1.00 0.00 O ATOM 367 C2' DG A 12 9.181 0.448 -4.585 1.00 0.00 C ATOM 368 C1' DG A 12 8.237 1.094 -3.582 1.00 0.00 C ATOM 369 N9 DG A 12 6.886 0.503 -3.558 1.00 0.00 N ATOM 370 C8 DG A 12 5.894 0.596 -4.498 1.00 0.00 C ATOM 371 N7 DG A 12 4.804 -0.047 -4.182 1.00 0.00 N ATOM 372 C5 DG A 12 5.092 -0.607 -2.943 1.00 0.00 C ATOM 373 C6 DG A 12 4.285 -1.419 -2.101 1.00 0.00 C ATOM 374 O6 DG A 12 3.135 -1.809 -2.293 1.00 0.00 O ATOM 375 N1 DG A 12 4.957 -1.771 -0.938 1.00 0.00 N ATOM 376 C2 DG A 12 6.245 -1.392 -0.622 1.00 0.00 C ATOM 377 N2 DG A 12 6.721 -1.829 0.544 1.00 0.00 N ATOM 378 N3 DG A 12 7.006 -0.628 -1.413 1.00 0.00 N ATOM 379 C4 DG A 12 6.366 -0.275 -2.552 1.00 0.00 C ATOM 0 H5' DG A 12 8.603 4.755 -5.273 1.00 0.00 H new ATOM 0 H5'' DG A 12 10.027 4.174 -6.113 1.00 0.00 H new ATOM 0 H4' DG A 12 9.976 3.405 -3.824 1.00 0.00 H new ATOM 0 H3' DG A 12 10.308 1.610 -6.051 1.00 0.00 H new ATOM 0 H2' DG A 12 8.645 0.041 -5.442 1.00 0.00 H new ATOM 0 H2'' DG A 12 9.743 -0.374 -4.141 1.00 0.00 H new ATOM 0 H1' DG A 12 8.658 0.951 -2.587 1.00 0.00 H new ATOM 0 H8 DG A 12 6.004 1.151 -5.418 1.00 0.00 H new ATOM 0 H1 DG A 12 4.460 -2.355 -0.265 1.00 0.00 H new ATOM 0 H21 DG A 12 7.667 -1.582 0.833 1.00 0.00 H new ATOM 0 H22 DG A 12 6.139 -2.410 1.147 1.00 0.00 H new ATOM 391 P DT A 13 11.386 1.504 -2.672 1.00 0.00 P ATOM 392 OP1 DT A 13 12.779 1.229 -2.253 1.00 0.00 O ATOM 393 OP2 DT A 13 10.286 0.645 -2.178 1.00 0.00 O ATOM 394 O5' DT A 13 11.041 3.032 -2.297 1.00 0.00 O ATOM 395 C5' DT A 13 11.158 3.491 -0.947 1.00 0.00 C ATOM 396 C4' DT A 13 10.816 4.974 -0.826 1.00 0.00 C ATOM 397 O4' DT A 13 11.728 5.743 -1.612 1.00 0.00 O ATOM 398 C3' DT A 13 9.401 5.323 -1.301 1.00 0.00 C ATOM 399 O3' DT A 13 8.693 5.985 -0.246 1.00 0.00 O ATOM 400 C2' DT A 13 9.608 6.285 -2.470 1.00 0.00 C ATOM 401 C1' DT A 13 11.002 6.819 -2.192 1.00 0.00 C ATOM 402 N1 DT A 13 11.734 7.263 -3.393 1.00 0.00 N ATOM 403 C2 DT A 13 12.147 8.581 -3.438 1.00 0.00 C ATOM 404 O2 DT A 13 11.918 9.369 -2.523 1.00 0.00 O ATOM 405 N3 DT A 13 12.835 8.964 -4.574 1.00 0.00 N ATOM 406 C4 DT A 13 13.141 8.154 -5.654 1.00 0.00 C ATOM 407 O4 DT A 13 13.761 8.599 -6.617 1.00 0.00 O ATOM 408 C5 DT A 13 12.669 6.793 -5.518 1.00 0.00 C ATOM 409 C7 DT A 13 12.940 5.790 -6.635 1.00 0.00 C ATOM 410 C6 DT A 13 11.997 6.396 -4.420 1.00 0.00 C ATOM 0 H5' DT A 13 12.174 3.321 -0.591 1.00 0.00 H new ATOM 0 H5'' DT A 13 10.495 2.911 -0.306 1.00 0.00 H new ATOM 0 H4' DT A 13 10.885 5.206 0.237 1.00 0.00 H new ATOM 0 H3' DT A 13 8.826 4.443 -1.588 1.00 0.00 H new ATOM 0 H2' DT A 13 9.550 5.777 -3.433 1.00 0.00 H new ATOM 0 H2'' DT A 13 8.861 7.079 -2.483 1.00 0.00 H new ATOM 0 H1' DT A 13 10.905 7.696 -1.552 1.00 0.00 H new ATOM 0 H3 DT A 13 13.146 9.934 -4.621 1.00 0.00 H new ATOM 0 H71 DT A 13 13.025 4.789 -6.212 1.00 0.00 H new ATOM 0 H72 DT A 13 12.119 5.813 -7.352 1.00 0.00 H new ATOM 0 H73 DT A 13 13.870 6.051 -7.140 1.00 0.00 H new ATOM 0 H6 DT A 13 11.659 5.373 -4.348 1.00 0.00 H new ATOM 423 P DG A 14 9.202 7.399 0.328 1.00 0.00 P ATOM 424 OP1 DG A 14 9.126 8.397 -0.761 1.00 0.00 O ATOM 425 OP2 DG A 14 10.482 7.179 1.037 1.00 0.00 O ATOM 426 O5' DG A 14 8.078 7.762 1.424 1.00 0.00 O ATOM 427 C5' DG A 14 8.343 7.596 2.821 1.00 0.00 C ATOM 428 C4' DG A 14 7.882 6.233 3.331 1.00 0.00 C ATOM 429 O4' DG A 14 6.471 6.093 3.135 1.00 0.00 O ATOM 430 C3' DG A 14 8.552 5.039 2.634 1.00 0.00 C ATOM 431 O3' DG A 14 9.141 4.182 3.619 1.00 0.00 O ATOM 432 C2' DG A 14 7.406 4.311 1.937 1.00 0.00 C ATOM 433 C1' DG A 14 6.220 4.741 2.779 1.00 0.00 C ATOM 434 N9 DG A 14 4.926 4.677 2.076 1.00 0.00 N ATOM 435 C8 DG A 14 4.580 5.216 0.864 1.00 0.00 C ATOM 436 N7 DG A 14 3.353 4.961 0.503 1.00 0.00 N ATOM 437 C5 DG A 14 2.847 4.199 1.551 1.00 0.00 C ATOM 438 C6 DG A 14 1.557 3.628 1.721 1.00 0.00 C ATOM 439 O6 DG A 14 0.593 3.683 0.961 1.00 0.00 O ATOM 440 N1 DG A 14 1.461 2.935 2.921 1.00 0.00 N ATOM 441 C2 DG A 14 2.478 2.806 3.843 1.00 0.00 C ATOM 442 N2 DG A 14 2.195 2.102 4.939 1.00 0.00 N ATOM 443 N3 DG A 14 3.692 3.341 3.685 1.00 0.00 N ATOM 444 C4 DG A 14 3.803 4.022 2.520 1.00 0.00 C ATOM 0 H5' DG A 14 7.839 8.383 3.382 1.00 0.00 H new ATOM 0 H5'' DG A 14 9.412 7.709 3.004 1.00 0.00 H new ATOM 0 H4' DG A 14 8.164 6.213 4.384 1.00 0.00 H new ATOM 0 H3' DG A 14 9.337 5.341 1.941 1.00 0.00 H new ATOM 0 H2' DG A 14 7.301 4.614 0.895 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.543 3.230 1.943 1.00 0.00 H new ATOM 0 H1' DG A 14 6.132 4.062 3.628 1.00 0.00 H new ATOM 0 H8 DG A 14 5.262 5.799 0.263 1.00 0.00 H new ATOM 0 H1 DG A 14 0.570 2.487 3.137 1.00 0.00 H new ATOM 0 H21 DG A 14 2.906 1.971 5.659 1.00 0.00 H new ATOM 0 H22 DG A 14 1.268 1.695 5.058 1.00 0.00 H new ATOM 456 P DG A 15 9.732 2.740 3.210 1.00 0.00 P ATOM 457 OP1 DG A 15 10.779 2.942 2.182 1.00 0.00 O ATOM 458 OP2 DG A 15 8.600 1.831 2.937 1.00 0.00 O ATOM 459 O5' DG A 15 10.447 2.251 4.567 1.00 0.00 O ATOM 460 C5' DG A 15 9.730 2.211 5.805 1.00 0.00 C ATOM 461 C4' DG A 15 8.852 0.965 5.927 1.00 0.00 C ATOM 462 O4' DG A 15 7.634 1.141 5.202 1.00 0.00 O ATOM 463 C3' DG A 15 9.503 -0.319 5.393 1.00 0.00 C ATOM 464 O3' DG A 15 9.682 -1.246 6.470 1.00 0.00 O ATOM 465 C2' DG A 15 8.493 -0.886 4.386 1.00 0.00 C ATOM 466 C1' DG A 15 7.218 -0.146 4.759 1.00 0.00 C ATOM 467 N9 DG A 15 6.263 0.034 3.648 1.00 0.00 N ATOM 468 C8 DG A 15 6.457 0.645 2.437 1.00 0.00 C ATOM 469 N7 DG A 15 5.402 0.654 1.672 1.00 0.00 N ATOM 470 C5 DG A 15 4.436 -0.003 2.426 1.00 0.00 C ATOM 471 C6 DG A 15 3.083 -0.299 2.111 1.00 0.00 C ATOM 472 O6 DG A 15 2.462 -0.029 1.086 1.00 0.00 O ATOM 473 N1 DG A 15 2.456 -0.976 3.148 1.00 0.00 N ATOM 474 C2 DG A 15 3.054 -1.326 4.341 1.00 0.00 C ATOM 475 N2 DG A 15 2.289 -1.978 5.217 1.00 0.00 N ATOM 476 N3 DG A 15 4.326 -1.048 4.639 1.00 0.00 N ATOM 477 C4 DG A 15 4.954 -0.386 3.638 1.00 0.00 C ATOM 0 H5' DG A 15 9.107 3.101 5.891 1.00 0.00 H new ATOM 0 H5'' DG A 15 10.438 2.236 6.633 1.00 0.00 H new ATOM 0 H4' DG A 15 8.685 0.848 6.998 1.00 0.00 H new ATOM 0 H3' DG A 15 10.478 -0.135 4.941 1.00 0.00 H new ATOM 0 H2' DG A 15 8.791 -0.690 3.356 1.00 0.00 H new ATOM 0 H2'' DG A 15 8.381 -1.966 4.485 1.00 0.00 H new ATOM 0 H1' DG A 15 6.690 -0.735 5.509 1.00 0.00 H new ATOM 0 H8 DG A 15 7.400 1.080 2.143 1.00 0.00 H new ATOM 0 H1 DG A 15 1.478 -1.235 3.018 1.00 0.00 H new ATOM 0 H21 DG A 15 2.674 -2.264 6.117 1.00 0.00 H new ATOM 0 H22 DG A 15 1.318 -2.191 4.987 1.00 0.00 H new ATOM 489 P DG A 16 10.213 -2.739 6.183 1.00 0.00 P ATOM 490 OP1 DG A 16 11.027 -3.175 7.339 1.00 0.00 O ATOM 491 OP2 DG A 16 10.790 -2.769 4.821 1.00 0.00 O ATOM 492 O5' DG A 16 8.853 -3.602 6.173 1.00 0.00 O ATOM 493 C5' DG A 16 8.158 -3.880 7.392 1.00 0.00 C ATOM 494 C4' DG A 16 6.955 -4.788 7.155 1.00 0.00 C ATOM 495 O4' DG A 16 6.084 -4.188 6.196 1.00 0.00 O ATOM 496 C3' DG A 16 7.323 -6.179 6.624 1.00 0.00 C ATOM 497 O3' DG A 16 6.832 -7.181 7.523 1.00 0.00 O ATOM 498 C2' DG A 16 6.604 -6.292 5.282 1.00 0.00 C ATOM 499 C1' DG A 16 5.529 -5.227 5.401 1.00 0.00 C ATOM 500 N9 DG A 16 5.114 -4.641 4.113 1.00 0.00 N ATOM 501 C8 DG A 16 5.829 -3.830 3.271 1.00 0.00 C ATOM 502 N7 DG A 16 5.180 -3.479 2.198 1.00 0.00 N ATOM 503 C5 DG A 16 3.943 -4.101 2.335 1.00 0.00 C ATOM 504 C6 DG A 16 2.815 -4.084 1.471 1.00 0.00 C ATOM 505 O6 DG A 16 2.688 -3.504 0.395 1.00 0.00 O ATOM 506 N1 DG A 16 1.771 -4.843 1.982 1.00 0.00 N ATOM 507 C2 DG A 16 1.806 -5.534 3.176 1.00 0.00 C ATOM 508 N2 DG A 16 0.704 -6.210 3.500 1.00 0.00 N ATOM 509 N3 DG A 16 2.866 -5.551 3.989 1.00 0.00 N ATOM 510 C4 DG A 16 3.894 -4.815 3.506 1.00 0.00 C ATOM 0 H5' DG A 16 7.826 -2.945 7.844 1.00 0.00 H new ATOM 0 H5'' DG A 16 8.838 -4.353 8.100 1.00 0.00 H new ATOM 0 H4' DG A 16 6.482 -4.911 8.130 1.00 0.00 H new ATOM 0 H3' DG A 16 8.400 -6.316 6.527 1.00 0.00 H new ATOM 0 H2' DG A 16 7.274 -6.101 4.444 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.179 -7.284 5.131 1.00 0.00 H new ATOM 0 H1' DG A 16 4.640 -5.691 5.828 1.00 0.00 H new ATOM 0 H8 DG A 16 6.840 -3.511 3.479 1.00 0.00 H new ATOM 0 H1 DG A 16 0.913 -4.894 1.433 1.00 0.00 H new ATOM 0 H21 DG A 16 0.669 -6.741 4.370 1.00 0.00 H new ATOM 0 H22 DG A 16 -0.104 -6.197 2.877 1.00 0.00 H new ATOM 522 P DT A 17 5.300 -7.168 8.021 1.00 0.00 P ATOM 523 OP1 DT A 17 4.427 -6.981 6.840 1.00 0.00 O ATOM 524 OP2 DT A 17 5.194 -6.242 9.172 1.00 0.00 O ATOM 525 O5' DT A 17 5.098 -8.670 8.561 1.00 0.00 O ATOM 526 C5' DT A 17 4.981 -9.756 7.640 1.00 0.00 C ATOM 527 C4' DT A 17 5.082 -11.108 8.343 1.00 0.00 C ATOM 528 O4' DT A 17 4.946 -12.159 7.380 1.00 0.00 O ATOM 529 C3' DT A 17 6.412 -11.336 9.050 1.00 0.00 C ATOM 530 O3' DT A 17 6.260 -12.202 10.181 1.00 0.00 O ATOM 531 C2' DT A 17 7.245 -11.990 7.963 1.00 0.00 C ATOM 532 C1' DT A 17 6.196 -12.857 7.278 1.00 0.00 C ATOM 533 N1 DT A 17 6.458 -13.106 5.848 1.00 0.00 N ATOM 534 C2 DT A 17 6.787 -14.397 5.478 1.00 0.00 C ATOM 535 O2 DT A 17 6.868 -15.311 6.296 1.00 0.00 O ATOM 536 N3 DT A 17 7.023 -14.600 4.131 1.00 0.00 N ATOM 537 C4 DT A 17 6.958 -13.638 3.138 1.00 0.00 C ATOM 538 O4 DT A 17 7.188 -13.929 1.966 1.00 0.00 O ATOM 539 C5 DT A 17 6.606 -12.321 3.619 1.00 0.00 C ATOM 540 C7 DT A 17 6.497 -11.163 2.631 1.00 0.00 C ATOM 541 C6 DT A 17 6.372 -12.097 4.928 1.00 0.00 C ATOM 0 H5' DT A 17 5.764 -9.679 6.886 1.00 0.00 H new ATOM 0 H5'' DT A 17 4.027 -9.688 7.117 1.00 0.00 H new ATOM 0 H4' DT A 17 4.288 -11.110 9.089 1.00 0.00 H new ATOM 0 H3' DT A 17 6.855 -10.425 9.452 1.00 0.00 H new ATOM 0 H2' DT A 17 7.684 -11.259 7.284 1.00 0.00 H new ATOM 0 H2'' DT A 17 8.066 -12.580 8.371 1.00 0.00 H new ATOM 0 HO3' DT A 17 7.130 -12.331 10.613 1.00 0.00 H new ATOM 0 H1' DT A 17 6.201 -13.829 7.770 1.00 0.00 H new ATOM 0 H3 DT A 17 7.268 -15.547 3.842 1.00 0.00 H new ATOM 0 H71 DT A 17 5.761 -10.445 2.992 1.00 0.00 H new ATOM 0 H72 DT A 17 7.466 -10.673 2.537 1.00 0.00 H new ATOM 0 H73 DT A 17 6.187 -11.543 1.658 1.00 0.00 H new ATOM 0 H6 DT A 17 6.112 -11.102 5.257 1.00 0.00 H new TER 555 DT A 17 HETATM 556 OAC 4BW A 101 0.148 -4.058 -0.586 1.00 0.00 O HETATM 557 CBC 4BW A 101 -0.969 -4.456 -0.865 1.00 0.00 C HETATM 558 NAT 4BW A 101 -1.625 -4.110 -2.042 1.00 0.00 N HETATM 559 CBA 4BW A 101 -2.906 -4.565 -2.360 1.00 0.00 C HETATM 560 NAA 4BW A 101 -3.429 -4.130 -3.554 1.00 0.00 N HETATM 561 NAS 4BW A 101 -3.620 -5.383 -1.576 1.00 0.00 N HETATM 562 CBG 4BW A 101 -3.015 -5.773 -0.376 1.00 0.00 C HETATM 563 CBE 4BW A 101 -1.761 -5.352 0.001 1.00 0.00 C HETATM 564 NAR 4BW A 101 -1.420 -5.881 1.220 1.00 0.00 N HETATM 565 CAL 4BW A 101 -2.460 -6.626 1.569 1.00 0.00 C HETATM 566 NBQ 4BW A 101 -3.464 -6.611 0.615 1.00 0.00 N HETATM 567 CBO 4BW A 101 -4.707 -7.384 0.628 1.00 0.00 C HETATM 568 CBI 4BW A 101 -4.939 -8.149 -0.677 1.00 0.00 C HETATM 569 OAG 4BW A 101 -6.331 -8.429 -0.810 1.00 0.00 O HETATM 570 OAX 4BW A 101 -4.603 -8.403 1.641 1.00 0.00 O HETATM 571 CBK 4BW A 101 -4.221 -9.673 1.070 1.00 0.00 C HETATM 572 CAN 4BW A 101 -2.864 -10.122 1.646 1.00 0.00 C HETATM 573 OAV 4BW A 101 -1.819 -9.301 1.108 1.00 0.00 O HETATM 574 PBR 4BW A 101 -0.323 -9.902 0.991 1.00 0.00 P HETATM 575 O3' 4BW A 101 -0.641 -11.143 0.007 1.00 0.00 O HETATM 576 OAH 4BW A 101 0.616 -8.943 0.354 1.00 0.00 O HETATM 577 OAD 4BW A 101 0.199 -10.354 2.307 1.00 0.00 O HETATM 578 CBM 4BW A 101 -4.176 -9.444 -0.448 1.00 0.00 C HETATM 579 OAZ 4BW A 101 -4.822 -10.517 -1.145 1.00 0.00 O HETATM 580 PBS 4BW A 101 -4.705 -10.602 -2.754 1.00 0.00 P HETATM 581 OAI 4BW A 101 -5.010 -9.294 -3.391 1.00 0.00 O HETATM 582 OAE 4BW A 101 -5.570 -11.672 -3.318 1.00 0.00 O HETATM 583 O5' 4BW A 101 -3.141 -10.986 -2.875 1.00 0.00 O HETATM 584 C5' 4BW A 101 -2.692 -12.260 -2.399 1.00 0.00 C HETATM 585 C4' 4BW A 101 -1.173 -12.202 -2.125 1.00 0.00 C HETATM 586 O4' 4BW A 101 -0.446 -12.204 -3.367 1.00 0.00 O HETATM 587 C3' 4BW A 101 -0.741 -10.920 -1.404 1.00 0.00 C HETATM 588 C2' 4BW A 101 0.631 -10.602 -1.979 1.00 0.00 C HETATM 589 O2' 4BW A 101 1.626 -11.319 -1.254 1.00 0.00 O HETATM 590 C1' 4BW A 101 0.552 -11.161 -3.404 1.00 0.00 C HETATM 591 N9 4BW A 101 0.139 -10.151 -4.381 1.00 0.00 N HETATM 592 C8 4BW A 101 0.593 -8.835 -4.503 1.00 0.00 C HETATM 593 N7 4BW A 101 0.046 -8.184 -5.534 1.00 0.00 N HETATM 594 C5 4BW A 101 -0.769 -9.115 -6.071 1.00 0.00 C HETATM 595 C4 4BW A 101 -0.751 -10.331 -5.406 1.00 0.00 C HETATM 596 N3 4BW A 101 -1.504 -11.394 -5.796 1.00 0.00 N HETATM 597 C2 4BW A 101 -2.296 -11.218 -6.889 1.00 0.00 C HETATM 598 N1 4BW A 101 -2.378 -10.063 -7.605 1.00 0.00 N HETATM 599 C6 4BW A 101 -1.614 -9.009 -7.197 1.00 0.00 C HETATM 600 N6 4BW A 101 -1.698 -7.835 -7.931 1.00 0.00 N