USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 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 G O2' : rot 180:sc= -0.383 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.222 USER MOD Single : A 3 G O2' : rot 180:sc= -0.3 USER MOD Single : A 4 G O2' : rot -16:sc= 0.0259 USER MOD Single : A 5 U O2' : rot -24:sc= 0.0883 USER MOD Single : A 6 C O2' : rot -15:sc= -0.255 USER MOD Single : A 7 U O2' : rot 180:sc= -0.438 USER MOD Single : A 8 C O2' : rot -36:sc= 0.122 USER MOD Single : A 8 C O3' : rot 180:sc= 0.135 USER MOD Single : B 9 G O2' : rot 180:sc= -0.39 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0106 USER MOD Single : B 10 A O2' : rot -10:sc= -0.118 USER MOD Single : B 11 G O2' : rot 180:sc= -0.472 USER MOD Single : B 12 G O2' : rot -28:sc= -0.385 USER MOD Single : B 13 U O2' : rot -15:sc= 0.145 USER MOD Single : B 14 C O2' : rot -21:sc= 0.015 USER MOD Single : B 15 U O2' : rot 180:sc= -0.437 USER MOD Single : B 16 C O2' : rot -26:sc= 0.145 USER MOD Single : B 16 C O3' : rot 180:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.906 -8.954 4.853 1.00 0.00 O ATOM 2 C5' G A 1 6.260 -9.341 4.745 1.00 0.00 C ATOM 3 C4' G A 1 7.114 -8.140 4.330 1.00 0.00 C ATOM 4 O4' G A 1 6.727 -7.642 3.053 1.00 0.00 O ATOM 5 C3' G A 1 6.962 -6.964 5.272 1.00 0.00 C ATOM 6 O3' G A 1 7.684 -7.135 6.478 1.00 0.00 O ATOM 7 C2' G A 1 7.546 -5.873 4.411 1.00 0.00 C ATOM 8 O2' G A 1 8.954 -5.977 4.395 1.00 0.00 O ATOM 9 C1' G A 1 7.015 -6.236 3.029 1.00 0.00 C ATOM 10 N9 G A 1 5.781 -5.473 2.762 1.00 0.00 N ATOM 11 C8 G A 1 4.478 -5.847 2.955 1.00 0.00 C ATOM 12 N7 G A 1 3.608 -4.937 2.614 1.00 0.00 N ATOM 13 C5 G A 1 4.393 -3.877 2.169 1.00 0.00 C ATOM 14 C6 G A 1 4.008 -2.594 1.678 1.00 0.00 C ATOM 15 O6 G A 1 2.875 -2.147 1.517 1.00 0.00 O ATOM 16 N1 G A 1 5.116 -1.813 1.365 1.00 0.00 N ATOM 17 C2 G A 1 6.428 -2.213 1.498 1.00 0.00 C ATOM 18 N2 G A 1 7.366 -1.325 1.153 1.00 0.00 N ATOM 19 N3 G A 1 6.792 -3.417 1.949 1.00 0.00 N ATOM 20 C4 G A 1 5.726 -4.194 2.267 1.00 0.00 C ATOM 0 H5' G A 1 6.361 -10.141 4.012 1.00 0.00 H new ATOM 0 H5'' G A 1 6.611 -9.736 5.698 1.00 0.00 H new ATOM 0 H4' G A 1 8.137 -8.516 4.334 1.00 0.00 H new ATOM 0 H3' G A 1 5.944 -6.787 5.620 1.00 0.00 H new ATOM 0 H2' G A 1 7.292 -4.868 4.748 1.00 0.00 H new ATOM 0 HO2' G A 1 9.328 -5.266 3.833 1.00 0.00 H new ATOM 0 HO5' G A 1 4.365 -9.727 5.117 1.00 0.00 H new ATOM 0 H1' G A 1 7.739 -6.000 2.249 1.00 0.00 H new ATOM 0 H8 G A 1 4.196 -6.810 3.354 1.00 0.00 H new ATOM 0 H1 G A 1 4.944 -0.872 1.010 1.00 0.00 H new ATOM 0 H21 G A 1 8.353 -1.569 1.232 1.00 0.00 H new ATOM 0 H22 G A 1 7.094 -0.403 0.811 1.00 0.00 H new ATOM 33 P A A 2 7.407 -6.178 7.749 1.00 0.00 P ATOM 34 OP1 A A 2 8.354 -6.553 8.822 1.00 0.00 O ATOM 35 OP2 A A 2 5.952 -6.192 8.017 1.00 0.00 O ATOM 36 O5' A A 2 7.801 -4.707 7.222 1.00 0.00 O ATOM 37 C5' A A 2 9.152 -4.314 7.095 1.00 0.00 C ATOM 38 C4' A A 2 9.210 -2.878 6.568 1.00 0.00 C ATOM 39 O4' A A 2 8.546 -2.761 5.315 1.00 0.00 O ATOM 40 C3' A A 2 8.486 -1.910 7.476 1.00 0.00 C ATOM 41 O3' A A 2 9.238 -1.594 8.636 1.00 0.00 O ATOM 42 C2' A A 2 8.333 -0.733 6.549 1.00 0.00 C ATOM 43 O2' A A 2 9.561 -0.045 6.444 1.00 0.00 O ATOM 44 C1' A A 2 8.041 -1.422 5.216 1.00 0.00 C ATOM 45 N9 A A 2 6.582 -1.437 4.965 1.00 0.00 N ATOM 46 C8 A A 2 5.681 -2.458 5.137 1.00 0.00 C ATOM 47 N7 A A 2 4.454 -2.140 4.821 1.00 0.00 N ATOM 48 C5 A A 2 4.549 -0.813 4.412 1.00 0.00 C ATOM 49 C6 A A 2 3.595 0.115 3.949 1.00 0.00 C ATOM 50 N6 A A 2 2.294 -0.170 3.812 1.00 0.00 N ATOM 51 N1 A A 2 4.029 1.350 3.632 1.00 0.00 N ATOM 52 C2 A A 2 5.321 1.635 3.767 1.00 0.00 C ATOM 53 N3 A A 2 6.309 0.856 4.186 1.00 0.00 N ATOM 54 C4 A A 2 5.842 -0.377 4.497 1.00 0.00 C ATOM 0 H5' A A 2 9.676 -4.985 6.415 1.00 0.00 H new ATOM 0 H5'' A A 2 9.655 -4.381 8.060 1.00 0.00 H new ATOM 0 H4' A A 2 10.273 -2.645 6.499 1.00 0.00 H new ATOM 0 H3' A A 2 7.549 -2.286 7.887 1.00 0.00 H new ATOM 0 H2' A A 2 7.579 -0.014 6.869 1.00 0.00 H new ATOM 0 HO2' A A 2 9.457 0.719 5.839 1.00 0.00 H new ATOM 0 H1' A A 2 8.515 -0.894 4.389 1.00 0.00 H new ATOM 0 H8 A A 2 5.961 -3.436 5.501 1.00 0.00 H new ATOM 0 H61 A A 2 1.649 0.543 3.472 1.00 0.00 H new ATOM 0 H62 A A 2 1.948 -1.100 4.048 1.00 0.00 H new ATOM 0 H2 A A 2 5.605 2.642 3.498 1.00 0.00 H new ATOM 66 P G A 3 8.545 -0.872 9.904 1.00 0.00 P ATOM 67 OP1 G A 3 9.586 -0.649 10.932 1.00 0.00 O ATOM 68 OP2 G A 3 7.326 -1.636 10.250 1.00 0.00 O ATOM 69 O5' G A 3 8.088 0.563 9.337 1.00 0.00 O ATOM 70 C5' G A 3 9.022 1.604 9.136 1.00 0.00 C ATOM 71 C4' G A 3 8.283 2.822 8.580 1.00 0.00 C ATOM 72 O4' G A 3 7.636 2.503 7.354 1.00 0.00 O ATOM 73 C3' G A 3 7.188 3.296 9.497 1.00 0.00 C ATOM 74 O3' G A 3 7.701 4.045 10.588 1.00 0.00 O ATOM 75 C2' G A 3 6.405 4.156 8.531 1.00 0.00 C ATOM 76 O2' G A 3 7.052 5.399 8.354 1.00 0.00 O ATOM 77 C1' G A 3 6.505 3.367 7.228 1.00 0.00 C ATOM 78 N9 G A 3 5.269 2.583 7.047 1.00 0.00 N ATOM 79 C8 G A 3 5.042 1.249 7.270 1.00 0.00 C ATOM 80 N7 G A 3 3.811 0.879 7.047 1.00 0.00 N ATOM 81 C5 G A 3 3.175 2.053 6.653 1.00 0.00 C ATOM 82 C6 G A 3 1.817 2.285 6.284 1.00 0.00 C ATOM 83 O6 G A 3 0.895 1.475 6.218 1.00 0.00 O ATOM 84 N1 G A 3 1.592 3.622 5.975 1.00 0.00 N ATOM 85 C2 G A 3 2.551 4.612 6.006 1.00 0.00 C ATOM 86 N2 G A 3 2.156 5.845 5.678 1.00 0.00 N ATOM 87 N3 G A 3 3.824 4.397 6.341 1.00 0.00 N ATOM 88 C4 G A 3 4.063 3.100 6.653 1.00 0.00 C ATOM 0 H5' G A 3 9.801 1.285 8.443 1.00 0.00 H new ATOM 0 H5'' G A 3 9.515 1.857 10.075 1.00 0.00 H new ATOM 0 H4' G A 3 9.045 3.591 8.459 1.00 0.00 H new ATOM 0 H3' G A 3 6.612 2.507 9.981 1.00 0.00 H new ATOM 0 H2' G A 3 5.387 4.357 8.863 1.00 0.00 H new ATOM 0 HO2' G A 3 6.538 5.949 7.726 1.00 0.00 H new ATOM 0 H1' G A 3 6.623 4.021 6.364 1.00 0.00 H new ATOM 0 H8 G A 3 5.812 0.567 7.600 1.00 0.00 H new ATOM 0 H1 G A 3 0.646 3.891 5.705 1.00 0.00 H new ATOM 0 H21 G A 3 2.826 6.614 5.685 1.00 0.00 H new ATOM 0 H22 G A 3 1.184 6.018 5.421 1.00 0.00 H new ATOM 100 P G A 4 6.722 4.622 11.740 1.00 0.00 P ATOM 101 OP1 G A 4 7.566 5.105 12.856 1.00 0.00 O ATOM 102 OP2 G A 4 5.677 3.608 11.998 1.00 0.00 O ATOM 103 O5' G A 4 6.015 5.907 11.060 1.00 0.00 O ATOM 104 C5' G A 4 6.736 7.108 10.840 1.00 0.00 C ATOM 105 C4' G A 4 5.788 8.188 10.303 1.00 0.00 C ATOM 106 O4' G A 4 5.182 7.788 9.071 1.00 0.00 O ATOM 107 C3' G A 4 4.642 8.461 11.259 1.00 0.00 C ATOM 108 O3' G A 4 5.011 9.358 12.291 1.00 0.00 O ATOM 109 C2' G A 4 3.649 9.095 10.320 1.00 0.00 C ATOM 110 O2' G A 4 4.053 10.421 10.039 1.00 0.00 O ATOM 111 C1' G A 4 3.826 8.265 9.060 1.00 0.00 C ATOM 112 N9 G A 4 2.903 7.113 9.051 1.00 0.00 N ATOM 113 C8 G A 4 3.191 5.794 9.256 1.00 0.00 C ATOM 114 N7 G A 4 2.171 4.995 9.108 1.00 0.00 N ATOM 115 C5 G A 4 1.123 5.850 8.779 1.00 0.00 C ATOM 116 C6 G A 4 -0.243 5.556 8.490 1.00 0.00 C ATOM 117 O6 G A 4 -0.798 4.460 8.457 1.00 0.00 O ATOM 118 N1 G A 4 -0.971 6.711 8.228 1.00 0.00 N ATOM 119 C2 G A 4 -0.451 7.987 8.217 1.00 0.00 C ATOM 120 N2 G A 4 -1.304 8.979 7.940 1.00 0.00 N ATOM 121 N3 G A 4 0.834 8.266 8.471 1.00 0.00 N ATOM 122 C4 G A 4 1.560 7.152 8.748 1.00 0.00 C ATOM 0 H5' G A 4 7.544 6.934 10.130 1.00 0.00 H new ATOM 0 H5'' G A 4 7.196 7.443 11.770 1.00 0.00 H new ATOM 0 H4' G A 4 6.407 9.075 10.172 1.00 0.00 H new ATOM 0 H3' G A 4 4.282 7.579 11.788 1.00 0.00 H new ATOM 0 H2' G A 4 2.631 9.123 10.708 1.00 0.00 H new ATOM 0 HO2' G A 4 4.717 10.708 10.700 1.00 0.00 H new ATOM 0 H1' G A 4 3.612 8.867 8.177 1.00 0.00 H new ATOM 0 H8 G A 4 4.178 5.443 9.518 1.00 0.00 H new ATOM 0 H1 G A 4 -1.966 6.606 8.029 1.00 0.00 H new ATOM 0 H21 G A 4 -0.974 9.944 7.918 1.00 0.00 H new ATOM 0 H22 G A 4 -2.284 8.771 7.751 1.00 0.00 H new ATOM 134 P U A 5 4.192 9.405 13.679 1.00 0.00 P ATOM 135 OP1 U A 5 4.614 10.612 14.423 1.00 0.00 O ATOM 136 OP2 U A 5 4.305 8.074 14.315 1.00 0.00 O ATOM 137 O5' U A 5 2.660 9.604 13.221 1.00 0.00 O ATOM 138 C5' U A 5 2.163 10.862 12.816 1.00 0.00 C ATOM 139 C4' U A 5 0.666 10.742 12.498 1.00 0.00 C ATOM 140 O4' U A 5 0.390 9.964 11.326 1.00 0.00 O ATOM 141 C3' U A 5 -0.109 10.098 13.615 1.00 0.00 C ATOM 142 O3' U A 5 -0.338 10.980 14.698 1.00 0.00 O ATOM 143 C2' U A 5 -1.374 9.786 12.865 1.00 0.00 C ATOM 144 O2' U A 5 -2.095 10.975 12.620 1.00 0.00 O ATOM 145 C1' U A 5 -0.845 9.258 11.553 1.00 0.00 C ATOM 146 N1 U A 5 -0.565 7.806 11.639 1.00 0.00 N ATOM 147 C2 U A 5 -1.587 6.911 11.342 1.00 0.00 C ATOM 148 O2 U A 5 -2.728 7.277 11.064 1.00 0.00 O ATOM 149 N3 U A 5 -1.245 5.567 11.374 1.00 0.00 N ATOM 150 C4 U A 5 0.008 5.051 11.672 1.00 0.00 C ATOM 151 O4 U A 5 0.203 3.839 11.664 1.00 0.00 O ATOM 152 C5 U A 5 1.001 6.057 11.972 1.00 0.00 C ATOM 153 C6 U A 5 0.687 7.372 11.942 1.00 0.00 C ATOM 0 H5' U A 5 2.705 11.214 11.938 1.00 0.00 H new ATOM 0 H5'' U A 5 2.320 11.598 13.604 1.00 0.00 H new ATOM 0 H4' U A 5 0.356 11.776 12.345 1.00 0.00 H new ATOM 0 H3' U A 5 0.381 9.250 14.093 1.00 0.00 H new ATOM 0 H2' U A 5 -2.038 9.103 13.395 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.848 11.651 13.286 1.00 0.00 H new ATOM 0 H1' U A 5 -1.570 9.404 10.752 1.00 0.00 H new ATOM 0 H3 U A 5 -1.983 4.896 11.159 1.00 0.00 H new ATOM 0 H5 U A 5 2.007 5.755 12.223 1.00 0.00 H new ATOM 0 H6 U A 5 1.454 8.099 12.165 1.00 0.00 H new ATOM 164 P C A 6 -0.763 10.410 16.148 1.00 0.00 P ATOM 165 OP1 C A 6 -1.056 11.562 17.029 1.00 0.00 O ATOM 166 OP2 C A 6 0.246 9.409 16.557 1.00 0.00 O ATOM 167 O5' C A 6 -2.143 9.636 15.858 1.00 0.00 O ATOM 168 C5' C A 6 -3.352 10.340 15.688 1.00 0.00 C ATOM 169 C4' C A 6 -4.467 9.354 15.342 1.00 0.00 C ATOM 170 O4' C A 6 -4.189 8.643 14.135 1.00 0.00 O ATOM 171 C3' C A 6 -4.645 8.289 16.403 1.00 0.00 C ATOM 172 O3' C A 6 -5.353 8.759 17.533 1.00 0.00 O ATOM 173 C2' C A 6 -5.440 7.276 15.619 1.00 0.00 C ATOM 174 O2' C A 6 -6.775 7.714 15.473 1.00 0.00 O ATOM 175 C1' C A 6 -4.754 7.328 14.258 1.00 0.00 C ATOM 176 N1 C A 6 -3.693 6.292 14.199 1.00 0.00 N ATOM 177 C2 C A 6 -4.106 4.984 13.995 1.00 0.00 C ATOM 178 O2 C A 6 -5.293 4.736 13.809 1.00 0.00 O ATOM 179 N3 C A 6 -3.169 3.999 14.013 1.00 0.00 N ATOM 180 C4 C A 6 -1.878 4.280 14.227 1.00 0.00 C ATOM 181 N4 C A 6 -0.995 3.277 14.251 1.00 0.00 N ATOM 182 C5 C A 6 -1.430 5.629 14.418 1.00 0.00 C ATOM 183 C6 C A 6 -2.371 6.598 14.389 1.00 0.00 C ATOM 0 H5' C A 6 -3.247 11.080 14.895 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.601 10.883 16.600 1.00 0.00 H new ATOM 0 H4' C A 6 -5.361 9.970 15.251 1.00 0.00 H new ATOM 0 H3' C A 6 -3.715 7.917 16.834 1.00 0.00 H new ATOM 0 H2' C A 6 -5.471 6.289 16.081 1.00 0.00 H new ATOM 0 HO2' C A 6 -6.952 8.440 16.107 1.00 0.00 H new ATOM 0 H1' C A 6 -5.453 7.134 13.444 1.00 0.00 H new ATOM 0 H41 C A 6 -0.007 3.471 14.413 1.00 0.00 H new ATOM 0 H42 C A 6 -1.309 2.317 14.108 1.00 0.00 H new ATOM 0 H5 C A 6 -0.387 5.860 14.578 1.00 0.00 H new ATOM 0 H6 C A 6 -2.077 7.629 14.517 1.00 0.00 H new ATOM 195 P U A 7 -5.341 7.926 18.917 1.00 0.00 P ATOM 196 OP1 U A 7 -6.196 8.641 19.890 1.00 0.00 O ATOM 197 OP2 U A 7 -3.932 7.633 19.257 1.00 0.00 O ATOM 198 O5' U A 7 -6.062 6.532 18.546 1.00 0.00 O ATOM 199 C5' U A 7 -7.463 6.458 18.376 1.00 0.00 C ATOM 200 C4' U A 7 -7.871 5.003 18.130 1.00 0.00 C ATOM 201 O4' U A 7 -7.260 4.466 16.953 1.00 0.00 O ATOM 202 C3' U A 7 -7.424 4.087 19.250 1.00 0.00 C ATOM 203 O3' U A 7 -8.230 4.187 20.409 1.00 0.00 O ATOM 204 C2' U A 7 -7.592 2.761 18.565 1.00 0.00 C ATOM 205 O2' U A 7 -8.963 2.437 18.484 1.00 0.00 O ATOM 206 C1' U A 7 -7.082 3.051 17.162 1.00 0.00 C ATOM 207 N1 U A 7 -5.651 2.666 17.036 1.00 0.00 N ATOM 208 C2 U A 7 -5.373 1.313 16.895 1.00 0.00 C ATOM 209 O2 U A 7 -6.258 0.460 16.889 1.00 0.00 O ATOM 210 N3 U A 7 -4.040 0.970 16.757 1.00 0.00 N ATOM 211 C4 U A 7 -2.970 1.847 16.753 1.00 0.00 C ATOM 212 O4 U A 7 -1.821 1.427 16.636 1.00 0.00 O ATOM 213 C5 U A 7 -3.345 3.239 16.892 1.00 0.00 C ATOM 214 C6 U A 7 -4.645 3.602 17.022 1.00 0.00 C ATOM 0 H5' U A 7 -7.772 7.080 17.536 1.00 0.00 H new ATOM 0 H5'' U A 7 -7.968 6.844 19.261 1.00 0.00 H new ATOM 0 H4' U A 7 -8.957 5.036 18.045 1.00 0.00 H new ATOM 0 H3' U A 7 -6.426 4.299 19.635 1.00 0.00 H new ATOM 0 H2' U A 7 -7.083 1.942 19.073 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.069 1.572 18.036 1.00 0.00 H new ATOM 0 H1' U A 7 -7.626 2.476 16.413 1.00 0.00 H new ATOM 0 H3 U A 7 -3.826 -0.021 16.648 1.00 0.00 H new ATOM 0 H5 U A 7 -2.578 3.999 16.892 1.00 0.00 H new ATOM 0 H6 U A 7 -4.895 4.648 17.116 1.00 0.00 H new ATOM 225 P C A 8 -7.782 3.471 21.789 1.00 0.00 P ATOM 226 OP1 C A 8 -8.821 3.741 22.807 1.00 0.00 O ATOM 227 OP2 C A 8 -6.377 3.848 22.060 1.00 0.00 O ATOM 228 O5' C A 8 -7.815 1.893 21.447 1.00 0.00 O ATOM 229 C5' C A 8 -9.039 1.192 21.358 1.00 0.00 C ATOM 230 C4' C A 8 -8.768 -0.286 21.054 1.00 0.00 C ATOM 231 O4' C A 8 -8.052 -0.458 19.835 1.00 0.00 O ATOM 232 C3' C A 8 -7.896 -0.942 22.100 1.00 0.00 C ATOM 233 O3' C A 8 -8.600 -1.235 23.288 1.00 0.00 O ATOM 234 C2' C A 8 -7.476 -2.189 21.374 1.00 0.00 C ATOM 235 O2' C A 8 -8.529 -3.132 21.383 1.00 0.00 O ATOM 236 C1' C A 8 -7.272 -1.664 19.952 1.00 0.00 C ATOM 237 N1 C A 8 -5.828 -1.383 19.729 1.00 0.00 N ATOM 238 C2 C A 8 -4.993 -2.467 19.483 1.00 0.00 C ATOM 239 O2 C A 8 -5.455 -3.605 19.431 1.00 0.00 O ATOM 240 N3 C A 8 -3.662 -2.232 19.306 1.00 0.00 N ATOM 241 C4 C A 8 -3.168 -0.987 19.370 1.00 0.00 C ATOM 242 N4 C A 8 -1.859 -0.798 19.179 1.00 0.00 N ATOM 243 C5 C A 8 -4.015 0.138 19.630 1.00 0.00 C ATOM 244 C6 C A 8 -5.331 -0.112 19.799 1.00 0.00 C ATOM 0 H5' C A 8 -9.661 1.626 20.575 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.591 1.285 22.293 1.00 0.00 H new ATOM 0 H4' C A 8 -9.760 -0.736 21.016 1.00 0.00 H new ATOM 0 H3' C A 8 -7.072 -0.318 22.445 1.00 0.00 H new ATOM 0 H2' C A 8 -6.605 -2.683 21.804 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.012 -3.075 22.234 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.994 -1.659 23.931 1.00 0.00 H new ATOM 0 H1' C A 8 -7.588 -2.393 19.206 1.00 0.00 H new ATOM 0 H41 C A 8 -1.468 0.143 19.224 1.00 0.00 H new ATOM 0 H42 C A 8 -1.251 -1.595 18.988 1.00 0.00 H new ATOM 0 H5 C A 8 -3.619 1.141 19.688 1.00 0.00 H new ATOM 0 H6 C A 8 -6.005 0.709 19.993 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.807 -9.047 15.504 1.00 0.00 O ATOM 259 C5' G B 9 3.256 -10.325 15.739 1.00 0.00 C ATOM 260 C4' G B 9 1.788 -10.193 16.153 1.00 0.00 C ATOM 261 O4' G B 9 1.653 -9.462 17.369 1.00 0.00 O ATOM 262 C3' G B 9 0.962 -9.429 15.138 1.00 0.00 C ATOM 263 O3' G B 9 0.632 -10.212 14.006 1.00 0.00 O ATOM 264 C2' G B 9 -0.245 -9.111 15.983 1.00 0.00 C ATOM 265 O2' G B 9 -1.046 -10.265 16.127 1.00 0.00 O ATOM 266 C1' G B 9 0.386 -8.786 17.331 1.00 0.00 C ATOM 267 N9 G B 9 0.592 -7.329 17.440 1.00 0.00 N ATOM 268 C8 G B 9 1.707 -6.593 17.143 1.00 0.00 C ATOM 269 N7 G B 9 1.571 -5.314 17.356 1.00 0.00 N ATOM 270 C5 G B 9 0.264 -5.191 17.819 1.00 0.00 C ATOM 271 C6 G B 9 -0.464 -4.029 18.210 1.00 0.00 C ATOM 272 O6 G B 9 -0.079 -2.862 18.240 1.00 0.00 O ATOM 273 N1 G B 9 -1.765 -4.343 18.588 1.00 0.00 N ATOM 274 C2 G B 9 -2.300 -5.613 18.598 1.00 0.00 C ATOM 275 N2 G B 9 -3.574 -5.727 18.987 1.00 0.00 N ATOM 276 N3 G B 9 -1.617 -6.706 18.242 1.00 0.00 N ATOM 277 C4 G B 9 -0.346 -6.420 17.863 1.00 0.00 C ATOM 0 H5' G B 9 3.819 -10.835 16.521 1.00 0.00 H new ATOM 0 H5'' G B 9 3.335 -10.936 14.840 1.00 0.00 H new ATOM 0 H4' G B 9 1.436 -11.220 16.249 1.00 0.00 H new ATOM 0 H3' G B 9 1.461 -8.565 14.699 1.00 0.00 H new ATOM 0 H2' G B 9 -0.873 -8.321 15.570 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.828 -10.053 16.678 1.00 0.00 H new ATOM 0 HO5' G B 9 4.747 -9.139 15.241 1.00 0.00 H new ATOM 0 H1' G B 9 -0.252 -9.105 18.155 1.00 0.00 H new ATOM 0 H8 G B 9 2.618 -7.033 16.766 1.00 0.00 H new ATOM 0 H1 G B 9 -2.369 -3.575 18.880 1.00 0.00 H new ATOM 0 H21 G B 9 -4.019 -6.644 19.013 1.00 0.00 H new ATOM 0 H22 G B 9 -4.101 -4.897 19.258 1.00 0.00 H new ATOM 290 P A B 10 0.044 -9.523 12.669 1.00 0.00 P ATOM 291 OP1 A B 10 -0.256 -10.594 11.693 1.00 0.00 O ATOM 292 OP2 A B 10 0.954 -8.420 12.290 1.00 0.00 O ATOM 293 O5' A B 10 -1.351 -8.876 13.148 1.00 0.00 O ATOM 294 C5' A B 10 -2.492 -9.679 13.369 1.00 0.00 C ATOM 295 C4' A B 10 -3.650 -8.792 13.829 1.00 0.00 C ATOM 296 O4' A B 10 -3.314 -8.074 15.010 1.00 0.00 O ATOM 297 C3' A B 10 -3.987 -7.725 12.811 1.00 0.00 C ATOM 298 O3' A B 10 -4.732 -8.242 11.721 1.00 0.00 O ATOM 299 C2' A B 10 -4.790 -6.775 13.660 1.00 0.00 C ATOM 300 O2' A B 10 -6.097 -7.280 13.841 1.00 0.00 O ATOM 301 C1' A B 10 -4.046 -6.841 14.995 1.00 0.00 C ATOM 302 N9 A B 10 -3.121 -5.691 15.123 1.00 0.00 N ATOM 303 C8 A B 10 -1.765 -5.639 14.909 1.00 0.00 C ATOM 304 N7 A B 10 -1.242 -4.460 15.114 1.00 0.00 N ATOM 305 C5 A B 10 -2.327 -3.675 15.491 1.00 0.00 C ATOM 306 C6 A B 10 -2.446 -2.317 15.850 1.00 0.00 C ATOM 307 N6 A B 10 -1.409 -1.471 15.885 1.00 0.00 N ATOM 308 N1 A B 10 -3.671 -1.860 16.172 1.00 0.00 N ATOM 309 C2 A B 10 -4.702 -2.700 16.138 1.00 0.00 C ATOM 310 N3 A B 10 -4.720 -3.988 15.820 1.00 0.00 N ATOM 311 C4 A B 10 -3.476 -4.417 15.501 1.00 0.00 C ATOM 0 H5' A B 10 -2.277 -10.437 14.122 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.763 -10.206 12.454 1.00 0.00 H new ATOM 0 H4' A B 10 -4.485 -9.475 13.984 1.00 0.00 H new ATOM 0 H3' A B 10 -3.122 -7.271 12.327 1.00 0.00 H new ATOM 0 H2' A B 10 -4.882 -5.775 13.236 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.237 -8.046 13.246 1.00 0.00 H new ATOM 0 H1' A B 10 -4.745 -6.797 15.831 1.00 0.00 H new ATOM 0 H8 A B 10 -1.184 -6.495 14.599 1.00 0.00 H new ATOM 0 H61 A B 10 -1.554 -0.497 16.152 1.00 0.00 H new ATOM 0 H62 A B 10 -0.474 -1.800 15.644 1.00 0.00 H new ATOM 0 H2 A B 10 -5.657 -2.274 16.407 1.00 0.00 H new ATOM 323 P G B 11 -4.879 -7.411 10.342 1.00 0.00 P ATOM 324 OP1 G B 11 -5.742 -8.190 9.426 1.00 0.00 O ATOM 325 OP2 G B 11 -3.523 -7.010 9.908 1.00 0.00 O ATOM 326 O5' G B 11 -5.677 -6.083 10.771 1.00 0.00 O ATOM 327 C5' G B 11 -7.069 -6.110 11.019 1.00 0.00 C ATOM 328 C4' G B 11 -7.511 -4.713 11.455 1.00 0.00 C ATOM 329 O4' G B 11 -6.797 -4.301 12.611 1.00 0.00 O ATOM 330 C3' G B 11 -7.208 -3.664 10.420 1.00 0.00 C ATOM 331 O3' G B 11 -8.133 -3.685 9.344 1.00 0.00 O ATOM 332 C2' G B 11 -7.362 -2.427 11.275 1.00 0.00 C ATOM 333 O2' G B 11 -8.730 -2.118 11.431 1.00 0.00 O ATOM 334 C1' G B 11 -6.814 -2.876 12.628 1.00 0.00 C ATOM 335 N9 G B 11 -5.457 -2.328 12.801 1.00 0.00 N ATOM 336 C8 G B 11 -4.240 -2.933 12.622 1.00 0.00 C ATOM 337 N7 G B 11 -3.223 -2.135 12.809 1.00 0.00 N ATOM 338 C5 G B 11 -3.812 -0.914 13.130 1.00 0.00 C ATOM 339 C6 G B 11 -3.214 0.346 13.434 1.00 0.00 C ATOM 340 O6 G B 11 -2.020 0.631 13.492 1.00 0.00 O ATOM 341 N1 G B 11 -4.176 1.319 13.683 1.00 0.00 N ATOM 342 C2 G B 11 -5.539 1.110 13.655 1.00 0.00 C ATOM 343 N2 G B 11 -6.319 2.158 13.930 1.00 0.00 N ATOM 344 N3 G B 11 -6.098 -0.067 13.378 1.00 0.00 N ATOM 345 C4 G B 11 -5.179 -1.029 13.125 1.00 0.00 C ATOM 0 H5' G B 11 -7.302 -6.840 11.794 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.608 -6.415 10.122 1.00 0.00 H new ATOM 0 H4' G B 11 -8.584 -4.793 11.627 1.00 0.00 H new ATOM 0 H3' G B 11 -6.245 -3.771 9.921 1.00 0.00 H new ATOM 0 H2' G B 11 -6.865 -1.553 10.854 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.823 -1.316 11.987 1.00 0.00 H new ATOM 0 H1' G B 11 -7.425 -2.521 13.458 1.00 0.00 H new ATOM 0 H8 G B 11 -4.132 -3.973 12.351 1.00 0.00 H new ATOM 0 H1 G B 11 -3.848 2.259 13.903 1.00 0.00 H new ATOM 0 H21 G B 11 -7.334 2.055 13.922 1.00 0.00 H new ATOM 0 H22 G B 11 -5.900 3.062 14.148 1.00 0.00 H new ATOM 357 P G B 12 -7.982 -2.669 8.093 1.00 0.00 P ATOM 358 OP1 G B 12 -8.929 -3.098 7.040 1.00 0.00 O ATOM 359 OP2 G B 12 -6.542 -2.551 7.776 1.00 0.00 O ATOM 360 O5' G B 12 -8.487 -1.241 8.664 1.00 0.00 O ATOM 361 C5' G B 12 -9.863 -0.990 8.895 1.00 0.00 C ATOM 362 C4' G B 12 -10.061 0.476 9.307 1.00 0.00 C ATOM 363 O4' G B 12 -9.326 0.793 10.491 1.00 0.00 O ATOM 364 C3' G B 12 -9.563 1.433 8.239 1.00 0.00 C ATOM 365 O3' G B 12 -10.529 1.641 7.228 1.00 0.00 O ATOM 366 C2' G B 12 -9.359 2.684 9.057 1.00 0.00 C ATOM 367 O2' G B 12 -10.609 3.295 9.310 1.00 0.00 O ATOM 368 C1' G B 12 -8.823 2.134 10.366 1.00 0.00 C ATOM 369 N9 G B 12 -7.349 2.112 10.364 1.00 0.00 N ATOM 370 C8 G B 12 -6.516 1.033 10.283 1.00 0.00 C ATOM 371 N7 G B 12 -5.250 1.327 10.386 1.00 0.00 N ATOM 372 C5 G B 12 -5.241 2.710 10.544 1.00 0.00 C ATOM 373 C6 G B 12 -4.145 3.607 10.711 1.00 0.00 C ATOM 374 O6 G B 12 -2.946 3.346 10.764 1.00 0.00 O ATOM 375 N1 G B 12 -4.573 4.926 10.815 1.00 0.00 N ATOM 376 C2 G B 12 -5.889 5.334 10.784 1.00 0.00 C ATOM 377 N2 G B 12 -6.111 6.648 10.897 1.00 0.00 N ATOM 378 N3 G B 12 -6.922 4.494 10.643 1.00 0.00 N ATOM 379 C4 G B 12 -6.524 3.201 10.525 1.00 0.00 C ATOM 0 H5' G B 12 -10.237 -1.651 9.677 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.438 -1.205 7.994 1.00 0.00 H new ATOM 0 H4' G B 12 -11.133 0.589 9.465 1.00 0.00 H new ATOM 0 H3' G B 12 -8.680 1.084 7.704 1.00 0.00 H new ATOM 0 H2' G B 12 -8.715 3.419 8.574 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.231 3.081 8.583 1.00 0.00 H new ATOM 0 H1' G B 12 -9.141 2.761 11.199 1.00 0.00 H new ATOM 0 H8 G B 12 -6.875 0.024 10.146 1.00 0.00 H new ATOM 0 H1 G B 12 -3.859 5.646 10.922 1.00 0.00 H new ATOM 0 H21 G B 12 -7.066 7.007 10.881 1.00 0.00 H new ATOM 0 H22 G B 12 -5.326 7.291 11.000 1.00 0.00 H new ATOM 391 P U B 13 -10.102 2.207 5.782 1.00 0.00 P ATOM 392 OP1 U B 13 -11.332 2.600 5.059 1.00 0.00 O ATOM 393 OP2 U B 13 -9.174 1.231 5.171 1.00 0.00 O ATOM 394 O5' U B 13 -9.264 3.543 6.115 1.00 0.00 O ATOM 395 C5' U B 13 -9.901 4.750 6.481 1.00 0.00 C ATOM 396 C4' U B 13 -8.842 5.853 6.616 1.00 0.00 C ATOM 397 O4' U B 13 -7.968 5.681 7.730 1.00 0.00 O ATOM 398 C3' U B 13 -7.982 5.954 5.393 1.00 0.00 C ATOM 399 O3' U B 13 -8.671 6.631 4.355 1.00 0.00 O ATOM 400 C2' U B 13 -6.844 6.762 5.953 1.00 0.00 C ATOM 401 O2' U B 13 -7.224 8.118 6.058 1.00 0.00 O ATOM 402 C1' U B 13 -6.675 6.182 7.352 1.00 0.00 C ATOM 403 N1 U B 13 -5.723 5.049 7.363 1.00 0.00 N ATOM 404 C2 U B 13 -4.382 5.310 7.627 1.00 0.00 C ATOM 405 O2 U B 13 -3.946 6.451 7.775 1.00 0.00 O ATOM 406 N3 U B 13 -3.555 4.201 7.720 1.00 0.00 N ATOM 407 C4 U B 13 -3.944 2.878 7.574 1.00 0.00 C ATOM 408 O4 U B 13 -3.123 1.970 7.666 1.00 0.00 O ATOM 409 C5 U B 13 -5.357 2.705 7.321 1.00 0.00 C ATOM 410 C6 U B 13 -6.182 3.774 7.230 1.00 0.00 C ATOM 0 H5' U B 13 -10.435 4.623 7.423 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.641 5.028 5.730 1.00 0.00 H new ATOM 0 H4' U B 13 -9.427 6.761 6.761 1.00 0.00 H new ATOM 0 H3' U B 13 -7.680 5.010 4.938 1.00 0.00 H new ATOM 0 H2' U B 13 -5.942 6.720 5.342 1.00 0.00 H new ATOM 0 HO2' U B 13 -8.032 8.273 5.526 1.00 0.00 H new ATOM 0 H1' U B 13 -6.292 6.947 8.027 1.00 0.00 H new ATOM 0 H3 U B 13 -2.569 4.374 7.914 1.00 0.00 H new ATOM 0 H5 U B 13 -5.759 1.710 7.203 1.00 0.00 H new ATOM 0 H6 U B 13 -7.234 3.611 7.047 1.00 0.00 H new ATOM 421 P C B 14 -8.041 6.748 2.886 1.00 0.00 P ATOM 422 OP1 C B 14 -8.988 7.493 2.028 1.00 0.00 O ATOM 423 OP2 C B 14 -7.572 5.406 2.479 1.00 0.00 O ATOM 424 O5' C B 14 -6.761 7.675 3.147 1.00 0.00 O ATOM 425 C5' C B 14 -5.583 7.478 2.412 1.00 0.00 C ATOM 426 C4' C B 14 -4.467 8.341 2.987 1.00 0.00 C ATOM 427 O4' C B 14 -4.258 8.053 4.376 1.00 0.00 O ATOM 428 C3' C B 14 -3.170 8.015 2.280 1.00 0.00 C ATOM 429 O3' C B 14 -2.993 8.795 1.114 1.00 0.00 O ATOM 430 C2' C B 14 -2.157 8.337 3.342 1.00 0.00 C ATOM 431 O2' C B 14 -1.978 9.734 3.438 1.00 0.00 O ATOM 432 C1' C B 14 -2.861 7.836 4.597 1.00 0.00 C ATOM 433 N1 C B 14 -2.591 6.388 4.796 1.00 0.00 N ATOM 434 C2 C B 14 -1.289 6.026 5.114 1.00 0.00 C ATOM 435 O2 C B 14 -0.431 6.890 5.275 1.00 0.00 O ATOM 436 N3 C B 14 -0.997 4.703 5.237 1.00 0.00 N ATOM 437 C4 C B 14 -1.941 3.770 5.055 1.00 0.00 C ATOM 438 N4 C B 14 -1.607 2.481 5.172 1.00 0.00 N ATOM 439 C5 C B 14 -3.297 4.128 4.768 1.00 0.00 C ATOM 440 C6 C B 14 -3.578 5.444 4.661 1.00 0.00 C ATOM 0 H5' C B 14 -5.750 7.732 1.365 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.295 6.427 2.443 1.00 0.00 H new ATOM 0 H4' C B 14 -4.754 9.384 2.855 1.00 0.00 H new ATOM 0 H3' C B 14 -3.109 6.990 1.915 1.00 0.00 H new ATOM 0 H2' C B 14 -1.174 7.902 3.162 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.279 10.160 2.609 1.00 0.00 H new ATOM 0 H1' C B 14 -2.510 8.357 5.488 1.00 0.00 H new ATOM 0 H41 C B 14 -2.313 1.757 5.037 1.00 0.00 H new ATOM 0 H42 C B 14 -0.646 2.221 5.396 1.00 0.00 H new ATOM 0 H5 C B 14 -4.063 3.377 4.642 1.00 0.00 H new ATOM 0 H6 C B 14 -4.593 5.758 4.467 1.00 0.00 H new ATOM 452 P U B 15 -2.067 8.271 -0.094 1.00 0.00 P ATOM 453 OP1 U B 15 -2.003 9.334 -1.120 1.00 0.00 O ATOM 454 OP2 U B 15 -2.534 6.918 -0.468 1.00 0.00 O ATOM 455 O5' U B 15 -0.609 8.126 0.570 1.00 0.00 O ATOM 456 C5' U B 15 0.174 9.261 0.867 1.00 0.00 C ATOM 457 C4' U B 15 1.549 8.804 1.357 1.00 0.00 C ATOM 458 O4' U B 15 1.452 8.043 2.566 1.00 0.00 O ATOM 459 C3' U B 15 2.222 7.886 0.356 1.00 0.00 C ATOM 460 O3' U B 15 2.822 8.587 -0.717 1.00 0.00 O ATOM 461 C2' U B 15 3.246 7.235 1.242 1.00 0.00 C ATOM 462 O2' U B 15 4.301 8.137 1.502 1.00 0.00 O ATOM 463 C1' U B 15 2.464 7.019 2.529 1.00 0.00 C ATOM 464 N1 U B 15 1.846 5.665 2.556 1.00 0.00 N ATOM 465 C2 U B 15 2.694 4.591 2.784 1.00 0.00 C ATOM 466 O2 U B 15 3.908 4.732 2.919 1.00 0.00 O ATOM 467 N3 U B 15 2.101 3.344 2.859 1.00 0.00 N ATOM 468 C4 U B 15 0.750 3.074 2.735 1.00 0.00 C ATOM 469 O4 U B 15 0.336 1.920 2.813 1.00 0.00 O ATOM 470 C5 U B 15 -0.071 4.250 2.524 1.00 0.00 C ATOM 471 C6 U B 15 0.487 5.484 2.446 1.00 0.00 C ATOM 0 H5' U B 15 -0.315 9.867 1.630 1.00 0.00 H new ATOM 0 H5'' U B 15 0.279 9.888 -0.018 1.00 0.00 H new ATOM 0 H4' U B 15 2.120 9.720 1.506 1.00 0.00 H new ATOM 0 H3' U B 15 1.542 7.200 -0.149 1.00 0.00 H new ATOM 0 H2' U B 15 3.681 6.332 0.814 1.00 0.00 H new ATOM 0 HO2' U B 15 4.964 7.707 2.081 1.00 0.00 H new ATOM 0 H1' U B 15 3.119 7.080 3.398 1.00 0.00 H new ATOM 0 H3 U B 15 2.718 2.548 3.021 1.00 0.00 H new ATOM 0 H5 U B 15 -1.141 4.142 2.428 1.00 0.00 H new ATOM 0 H6 U B 15 -0.150 6.343 2.294 1.00 0.00 H new ATOM 482 P C B 16 3.323 7.800 -2.038 1.00 0.00 P ATOM 483 OP1 C B 16 3.932 8.786 -2.958 1.00 0.00 O ATOM 484 OP2 C B 16 2.208 6.950 -2.510 1.00 0.00 O ATOM 485 O5' C B 16 4.494 6.827 -1.502 1.00 0.00 O ATOM 486 C5' C B 16 5.776 7.333 -1.191 1.00 0.00 C ATOM 487 C4' C B 16 6.697 6.180 -0.780 1.00 0.00 C ATOM 488 O4' C B 16 6.211 5.492 0.368 1.00 0.00 O ATOM 489 C3' C B 16 6.791 5.113 -1.847 1.00 0.00 C ATOM 490 O3' C B 16 7.613 5.494 -2.929 1.00 0.00 O ATOM 491 C2' C B 16 7.382 3.979 -1.058 1.00 0.00 C ATOM 492 O2' C B 16 8.768 4.186 -0.874 1.00 0.00 O ATOM 493 C1' C B 16 6.661 4.126 0.282 1.00 0.00 C ATOM 494 N1 C B 16 5.508 3.188 0.328 1.00 0.00 N ATOM 495 C2 C B 16 5.785 1.843 0.547 1.00 0.00 C ATOM 496 O2 C B 16 6.942 1.469 0.719 1.00 0.00 O ATOM 497 N3 C B 16 4.744 0.963 0.565 1.00 0.00 N ATOM 498 C4 C B 16 3.485 1.381 0.372 1.00 0.00 C ATOM 499 N4 C B 16 2.492 0.487 0.410 1.00 0.00 N ATOM 500 C5 C B 16 3.187 2.762 0.135 1.00 0.00 C ATOM 501 C6 C B 16 4.228 3.621 0.127 1.00 0.00 C ATOM 0 H5' C B 16 5.705 8.061 -0.383 1.00 0.00 H new ATOM 0 H5'' C B 16 6.192 7.854 -2.053 1.00 0.00 H new ATOM 0 H4' C B 16 7.660 6.657 -0.597 1.00 0.00 H new ATOM 0 H3' C B 16 5.841 4.883 -2.330 1.00 0.00 H new ATOM 0 H2' C B 16 7.269 3.003 -1.529 1.00 0.00 H new ATOM 0 HO2' C B 16 9.113 4.751 -1.597 1.00 0.00 H new ATOM 0 HO3' C B 16 7.642 4.770 -3.589 1.00 0.00 H new ATOM 0 H1' C B 16 7.318 3.890 1.120 1.00 0.00 H new ATOM 0 H41 C B 16 1.528 0.789 0.265 1.00 0.00 H new ATOM 0 H42 C B 16 2.698 -0.497 0.584 1.00 0.00 H new ATOM 0 H5 C B 16 2.175 3.101 -0.030 1.00 0.00 H new ATOM 0 H6 C B 16 4.045 4.672 -0.042 1.00 0.00 H new TER 514 C B 16