USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 153 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 -26:sc= 0.352 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -15:sc= -0.192 USER MOD Single : A 3 C O2' : rot -17:sc= 0.407 USER MOD Single : A 4 C O2' : rot -28:sc= 0.299 USER MOD Single : A 5 U O2' : rot -20:sc= 0.379 USER MOD Single : A 6 G O2' : rot -142:sc= -7.12! USER MOD Single : A 7 A O2' : rot 130:sc= -6.64! USER MOD Single : A 8 U O2' : rot 138:sc= 0.67 USER MOD Single : A 9 A O2' : rot -80:sc= 0.767 USER MOD Single : A 10 G O2' : rot -73:sc= 0.805 USER MOD Single : A 11 G O2' : rot -16:sc= 0.396 USER MOD Single : A 12 G O2' : rot -2:sc= -1.01 USER MOD Single : A 13 U O2' : rot 0:sc= -0.241 USER MOD Single : A 14 C O2' : rot -20:sc= 0.208 USER MOD Single : A 14 C O3' : rot 180:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -2.965 -0.754 5.356 1.00 0.00 O ATOM 2 C5' G A 1 -2.186 -1.663 6.137 1.00 0.00 C ATOM 3 C4' G A 1 -3.012 -2.293 7.254 1.00 0.00 C ATOM 4 O4' G A 1 -3.273 -3.664 6.932 1.00 0.00 O ATOM 5 C3' G A 1 -2.323 -2.358 8.604 1.00 0.00 C ATOM 6 O3' G A 1 -2.668 -1.167 9.319 1.00 0.00 O ATOM 7 C2' G A 1 -3.029 -3.520 9.283 1.00 0.00 C ATOM 8 O2' G A 1 -4.301 -3.111 9.795 1.00 0.00 O ATOM 9 C1' G A 1 -3.211 -4.488 8.111 1.00 0.00 C ATOM 10 N9 G A 1 -2.079 -5.431 7.965 1.00 0.00 N ATOM 11 C8 G A 1 -0.986 -5.600 8.780 1.00 0.00 C ATOM 12 N7 G A 1 -0.163 -6.522 8.370 1.00 0.00 N ATOM 13 C5 G A 1 -0.745 -7.000 7.203 1.00 0.00 C ATOM 14 C6 G A 1 -0.301 -8.015 6.314 1.00 0.00 C ATOM 15 O6 G A 1 0.715 -8.700 6.389 1.00 0.00 O ATOM 16 N1 G A 1 -1.179 -8.191 5.257 1.00 0.00 N ATOM 17 C2 G A 1 -2.343 -7.480 5.072 1.00 0.00 C ATOM 18 N2 G A 1 -3.070 -7.778 3.994 1.00 0.00 N ATOM 19 N3 G A 1 -2.772 -6.524 5.902 1.00 0.00 N ATOM 20 C4 G A 1 -1.923 -6.340 6.943 1.00 0.00 C ATOM 0 H5' G A 1 -1.334 -1.137 6.566 1.00 0.00 H new ATOM 0 H5'' G A 1 -1.786 -2.446 5.493 1.00 0.00 H new ATOM 0 H4' G A 1 -3.894 -1.657 7.327 1.00 0.00 H new ATOM 0 H3' G A 1 -1.239 -2.461 8.551 1.00 0.00 H new ATOM 0 H2' G A 1 -2.488 -3.936 10.133 1.00 0.00 H new ATOM 0 HO2' G A 1 -4.285 -2.149 9.981 1.00 0.00 H new ATOM 0 HO5' G A 1 -2.406 -0.367 4.650 1.00 0.00 H new ATOM 0 H1' G A 1 -4.104 -5.091 8.273 1.00 0.00 H new ATOM 0 H8 G A 1 -0.824 -5.022 9.678 1.00 0.00 H new ATOM 0 H1 G A 1 -0.945 -8.901 4.563 1.00 0.00 H new ATOM 0 H21 G A 1 -3.941 -7.279 3.812 1.00 0.00 H new ATOM 0 H22 G A 1 -2.755 -8.505 3.351 1.00 0.00 H new ATOM 33 P G A 2 -1.522 -0.195 9.904 1.00 0.00 P ATOM 34 OP1 G A 2 -1.792 0.023 11.342 1.00 0.00 O ATOM 35 OP2 G A 2 -1.397 0.968 8.995 1.00 0.00 O ATOM 36 O5' G A 2 -0.185 -1.089 9.774 1.00 0.00 O ATOM 37 C5' G A 2 0.818 -0.772 8.801 1.00 0.00 C ATOM 38 C4' G A 2 1.982 -1.758 8.850 1.00 0.00 C ATOM 39 O4' G A 2 1.474 -3.096 8.774 1.00 0.00 O ATOM 40 C3' G A 2 2.949 -1.660 7.683 1.00 0.00 C ATOM 41 O3' G A 2 4.005 -0.781 8.083 1.00 0.00 O ATOM 42 C2' G A 2 3.532 -3.062 7.598 1.00 0.00 C ATOM 43 O2' G A 2 4.577 -3.237 8.559 1.00 0.00 O ATOM 44 C1' G A 2 2.324 -3.924 7.959 1.00 0.00 C ATOM 45 N9 G A 2 1.565 -4.355 6.768 1.00 0.00 N ATOM 46 C8 G A 2 0.313 -3.969 6.367 1.00 0.00 C ATOM 47 N7 G A 2 -0.087 -4.543 5.268 1.00 0.00 N ATOM 48 C5 G A 2 0.973 -5.367 4.913 1.00 0.00 C ATOM 49 C6 G A 2 1.114 -6.240 3.803 1.00 0.00 C ATOM 50 O6 G A 2 0.309 -6.460 2.902 1.00 0.00 O ATOM 51 N1 G A 2 2.339 -6.886 3.813 1.00 0.00 N ATOM 52 C2 G A 2 3.311 -6.720 4.772 1.00 0.00 C ATOM 53 N2 G A 2 4.436 -7.422 4.623 1.00 0.00 N ATOM 54 N3 G A 2 3.190 -5.903 5.822 1.00 0.00 N ATOM 55 C4 G A 2 1.995 -5.261 5.826 1.00 0.00 C ATOM 0 H5' G A 2 1.189 0.238 8.976 1.00 0.00 H new ATOM 0 H5'' G A 2 0.375 -0.781 7.805 1.00 0.00 H new ATOM 0 H4' G A 2 2.503 -1.516 9.776 1.00 0.00 H new ATOM 0 H3' G A 2 2.496 -1.312 6.755 1.00 0.00 H new ATOM 0 H2' G A 2 3.977 -3.298 6.631 1.00 0.00 H new ATOM 0 HO2' G A 2 4.857 -2.362 8.900 1.00 0.00 H new ATOM 0 H1' G A 2 2.658 -4.828 8.468 1.00 0.00 H new ATOM 0 H8 G A 2 -0.287 -3.255 6.912 1.00 0.00 H new ATOM 0 H1 G A 2 2.536 -7.535 3.051 1.00 0.00 H new ATOM 0 H21 G A 2 5.187 -7.334 5.308 1.00 0.00 H new ATOM 0 H22 G A 2 4.545 -8.047 3.824 1.00 0.00 H new ATOM 67 P C A 3 4.731 0.174 7.008 1.00 0.00 P ATOM 68 OP1 C A 3 5.802 0.924 7.702 1.00 0.00 O ATOM 69 OP2 C A 3 3.686 0.905 6.256 1.00 0.00 O ATOM 70 O5' C A 3 5.421 -0.884 6.009 1.00 0.00 O ATOM 71 C5' C A 3 6.550 -1.658 6.430 1.00 0.00 C ATOM 72 C4' C A 3 7.063 -2.556 5.310 1.00 0.00 C ATOM 73 O4' C A 3 6.173 -3.665 5.151 1.00 0.00 O ATOM 74 C3' C A 3 7.101 -1.903 3.937 1.00 0.00 C ATOM 75 O3' C A 3 8.421 -1.381 3.758 1.00 0.00 O ATOM 76 C2' C A 3 6.945 -3.081 2.987 1.00 0.00 C ATOM 77 O2' C A 3 8.200 -3.735 2.781 1.00 0.00 O ATOM 78 C1' C A 3 5.990 -3.988 3.762 1.00 0.00 C ATOM 79 N1 C A 3 4.573 -3.756 3.400 1.00 0.00 N ATOM 80 C2 C A 3 4.011 -4.577 2.432 1.00 0.00 C ATOM 81 O2 C A 3 4.685 -5.454 1.895 1.00 0.00 O ATOM 82 N3 C A 3 2.707 -4.388 2.091 1.00 0.00 N ATOM 83 C4 C A 3 1.979 -3.430 2.679 1.00 0.00 C ATOM 84 N4 C A 3 0.705 -3.299 2.308 1.00 0.00 N ATOM 85 C5 C A 3 2.549 -2.579 3.675 1.00 0.00 C ATOM 86 C6 C A 3 3.839 -2.773 4.003 1.00 0.00 C ATOM 0 H5' C A 3 6.273 -2.269 7.289 1.00 0.00 H new ATOM 0 H5'' C A 3 7.348 -0.991 6.757 1.00 0.00 H new ATOM 0 H4' C A 3 8.076 -2.820 5.613 1.00 0.00 H new ATOM 0 H3' C A 3 6.358 -1.119 3.794 1.00 0.00 H new ATOM 0 H2' C A 3 6.588 -2.803 1.995 1.00 0.00 H new ATOM 0 HO2' C A 3 8.928 -3.141 3.060 1.00 0.00 H new ATOM 0 H1' C A 3 6.209 -5.031 3.533 1.00 0.00 H new ATOM 0 H41 C A 3 0.121 -2.580 2.735 1.00 0.00 H new ATOM 0 H42 C A 3 0.315 -3.918 1.597 1.00 0.00 H new ATOM 0 H5 C A 3 1.963 -1.805 4.149 1.00 0.00 H new ATOM 0 H6 C A 3 4.300 -2.145 4.751 1.00 0.00 H new ATOM 98 P C A 4 8.645 0.074 3.104 1.00 0.00 P ATOM 99 OP1 C A 4 10.070 0.441 3.268 1.00 0.00 O ATOM 100 OP2 C A 4 7.588 0.979 3.608 1.00 0.00 O ATOM 101 O5' C A 4 8.371 -0.200 1.541 1.00 0.00 O ATOM 102 C5' C A 4 9.255 -1.027 0.778 1.00 0.00 C ATOM 103 C4' C A 4 8.799 -1.149 -0.673 1.00 0.00 C ATOM 104 O4' C A 4 7.819 -2.191 -0.775 1.00 0.00 O ATOM 105 C3' C A 4 8.084 0.074 -1.223 1.00 0.00 C ATOM 106 O3' C A 4 9.073 0.914 -1.826 1.00 0.00 O ATOM 107 C2' C A 4 7.236 -0.515 -2.336 1.00 0.00 C ATOM 108 O2' C A 4 8.029 -0.777 -3.498 1.00 0.00 O ATOM 109 C1' C A 4 6.774 -1.819 -1.694 1.00 0.00 C ATOM 110 N1 C A 4 5.524 -1.632 -0.930 1.00 0.00 N ATOM 111 C2 C A 4 4.325 -1.952 -1.551 1.00 0.00 C ATOM 112 O2 C A 4 4.318 -2.407 -2.693 1.00 0.00 O ATOM 113 N3 C A 4 3.166 -1.748 -0.868 1.00 0.00 N ATOM 114 C4 C A 4 3.183 -1.250 0.376 1.00 0.00 C ATOM 115 N4 C A 4 2.016 -1.068 0.989 1.00 0.00 N ATOM 116 C5 C A 4 4.416 -0.920 1.018 1.00 0.00 C ATOM 117 C6 C A 4 5.552 -1.127 0.336 1.00 0.00 C ATOM 0 H5' C A 4 9.306 -2.018 1.228 1.00 0.00 H new ATOM 0 H5'' C A 4 10.262 -0.610 0.810 1.00 0.00 H new ATOM 0 H4' C A 4 9.720 -1.319 -1.231 1.00 0.00 H new ATOM 0 H3' C A 4 7.520 0.640 -0.482 1.00 0.00 H new ATOM 0 H2' C A 4 6.429 0.133 -2.677 1.00 0.00 H new ATOM 0 HO2' C A 4 8.782 -0.150 -3.528 1.00 0.00 H new ATOM 0 H1' C A 4 6.584 -2.572 -2.459 1.00 0.00 H new ATOM 0 H41 C A 4 1.991 -0.691 1.936 1.00 0.00 H new ATOM 0 H42 C A 4 1.147 -1.306 0.511 1.00 0.00 H new ATOM 0 H5 C A 4 4.433 -0.517 2.020 1.00 0.00 H new ATOM 0 H6 C A 4 6.501 -0.891 0.795 1.00 0.00 H new ATOM 129 P U A 5 8.714 2.424 -2.254 1.00 0.00 P ATOM 130 OP1 U A 5 9.896 3.006 -2.930 1.00 0.00 O ATOM 131 OP2 U A 5 8.122 3.110 -1.083 1.00 0.00 O ATOM 132 O5' U A 5 7.554 2.210 -3.351 1.00 0.00 O ATOM 133 C5' U A 5 7.534 2.980 -4.558 1.00 0.00 C ATOM 134 C4' U A 5 6.117 3.194 -5.069 1.00 0.00 C ATOM 135 O4' U A 5 5.276 2.144 -4.588 1.00 0.00 O ATOM 136 C3' U A 5 5.452 4.463 -4.567 1.00 0.00 C ATOM 137 O3' U A 5 5.711 5.484 -5.536 1.00 0.00 O ATOM 138 C2' U A 5 3.970 4.127 -4.643 1.00 0.00 C ATOM 139 O2' U A 5 3.471 4.329 -5.968 1.00 0.00 O ATOM 140 C1' U A 5 3.961 2.639 -4.287 1.00 0.00 C ATOM 141 N1 U A 5 3.673 2.403 -2.854 1.00 0.00 N ATOM 142 C2 U A 5 2.343 2.342 -2.470 1.00 0.00 C ATOM 143 O2 U A 5 1.414 2.479 -3.264 1.00 0.00 O ATOM 144 N3 U A 5 2.114 2.118 -1.126 1.00 0.00 N ATOM 145 C4 U A 5 3.078 1.953 -0.150 1.00 0.00 C ATOM 146 O4 U A 5 2.745 1.757 1.016 1.00 0.00 O ATOM 147 C5 U A 5 4.438 2.030 -0.629 1.00 0.00 C ATOM 148 C6 U A 5 4.687 2.250 -1.943 1.00 0.00 C ATOM 0 H5' U A 5 8.123 2.473 -5.322 1.00 0.00 H new ATOM 0 H5'' U A 5 8.006 3.946 -4.380 1.00 0.00 H new ATOM 0 H4' U A 5 6.220 3.237 -6.153 1.00 0.00 H new ATOM 0 H3' U A 5 5.784 4.784 -3.579 1.00 0.00 H new ATOM 0 H2' U A 5 3.346 4.742 -3.994 1.00 0.00 H new ATOM 0 HO2' U A 5 4.074 4.927 -6.457 1.00 0.00 H new ATOM 0 H1' U A 5 3.178 2.134 -4.853 1.00 0.00 H new ATOM 0 H3 U A 5 1.140 2.070 -0.826 1.00 0.00 H new ATOM 0 H5 U A 5 5.260 1.912 0.062 1.00 0.00 H new ATOM 0 H6 U A 5 5.711 2.306 -2.282 1.00 0.00 H new ATOM 159 P G A 6 6.150 6.964 -5.072 1.00 0.00 P ATOM 160 OP1 G A 6 6.580 7.717 -6.271 1.00 0.00 O ATOM 161 OP2 G A 6 7.065 6.836 -3.915 1.00 0.00 O ATOM 162 O5' G A 6 4.763 7.592 -4.551 1.00 0.00 O ATOM 163 C5' G A 6 3.654 7.753 -5.442 1.00 0.00 C ATOM 164 C4' G A 6 2.322 7.628 -4.710 1.00 0.00 C ATOM 165 O4' G A 6 2.346 6.466 -3.890 1.00 0.00 O ATOM 166 C3' G A 6 2.021 8.746 -3.724 1.00 0.00 C ATOM 167 O3' G A 6 1.202 9.703 -4.403 1.00 0.00 O ATOM 168 C2' G A 6 1.158 8.077 -2.643 1.00 0.00 C ATOM 169 O2' G A 6 -0.210 8.406 -2.801 1.00 0.00 O ATOM 170 C1' G A 6 1.340 6.583 -2.886 1.00 0.00 C ATOM 171 N9 G A 6 1.780 5.892 -1.660 1.00 0.00 N ATOM 172 C8 G A 6 3.054 5.574 -1.267 1.00 0.00 C ATOM 173 N7 G A 6 3.115 5.010 -0.094 1.00 0.00 N ATOM 174 C5 G A 6 1.790 4.950 0.321 1.00 0.00 C ATOM 175 C6 G A 6 1.231 4.437 1.525 1.00 0.00 C ATOM 176 O6 G A 6 1.814 3.931 2.480 1.00 0.00 O ATOM 177 N1 G A 6 -0.148 4.569 1.545 1.00 0.00 N ATOM 178 C2 G A 6 -0.903 5.124 0.537 1.00 0.00 C ATOM 179 N2 G A 6 -2.222 5.180 0.726 1.00 0.00 N ATOM 180 N3 G A 6 -0.389 5.609 -0.596 1.00 0.00 N ATOM 181 C4 G A 6 0.961 5.487 -0.633 1.00 0.00 C ATOM 0 H5' G A 6 3.708 7.002 -6.230 1.00 0.00 H new ATOM 0 H5'' G A 6 3.714 8.728 -5.926 1.00 0.00 H new ATOM 0 H4' G A 6 1.580 7.628 -5.508 1.00 0.00 H new ATOM 0 H3' G A 6 2.915 9.225 -3.324 1.00 0.00 H new ATOM 0 H2' G A 6 1.451 8.397 -1.643 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.620 8.532 -1.920 1.00 0.00 H new ATOM 0 H1' G A 6 0.399 6.126 -3.191 1.00 0.00 H new ATOM 0 H8 G A 6 3.926 5.772 -1.873 1.00 0.00 H new ATOM 0 H1 G A 6 -0.642 4.229 2.370 1.00 0.00 H new ATOM 0 H21 G A 6 -2.824 5.583 0.007 1.00 0.00 H new ATOM 0 H22 G A 6 -2.629 4.820 1.589 1.00 0.00 H new ATOM 193 P A A 7 0.857 11.127 -3.723 1.00 0.00 P ATOM 194 OP1 A A 7 0.922 12.170 -4.771 1.00 0.00 O ATOM 195 OP2 A A 7 1.667 11.268 -2.490 1.00 0.00 O ATOM 196 O5' A A 7 -0.684 10.938 -3.295 1.00 0.00 O ATOM 197 C5' A A 7 -1.507 10.021 -4.015 1.00 0.00 C ATOM 198 C4' A A 7 -2.790 9.680 -3.287 1.00 0.00 C ATOM 199 O4' A A 7 -2.471 8.839 -2.169 1.00 0.00 O ATOM 200 C3' A A 7 -3.524 10.860 -2.688 1.00 0.00 C ATOM 201 O3' A A 7 -4.876 10.392 -2.534 1.00 0.00 O ATOM 202 C2' A A 7 -2.840 11.000 -1.326 1.00 0.00 C ATOM 203 O2' A A 7 -3.678 11.652 -0.386 1.00 0.00 O ATOM 204 C1' A A 7 -2.609 9.544 -0.932 1.00 0.00 C ATOM 205 N9 A A 7 -1.364 9.354 -0.148 1.00 0.00 N ATOM 206 C8 A A 7 -0.108 9.851 -0.399 1.00 0.00 C ATOM 207 N7 A A 7 0.785 9.490 0.478 1.00 0.00 N ATOM 208 C5 A A 7 0.076 8.700 1.371 1.00 0.00 C ATOM 209 C6 A A 7 0.453 8.010 2.534 1.00 0.00 C ATOM 210 N6 A A 7 1.696 8.002 3.016 1.00 0.00 N ATOM 211 N1 A A 7 -0.495 7.322 3.187 1.00 0.00 N ATOM 212 C2 A A 7 -1.733 7.322 2.713 1.00 0.00 C ATOM 213 N3 A A 7 -2.211 7.925 1.636 1.00 0.00 N ATOM 214 C4 A A 7 -1.236 8.608 1.003 1.00 0.00 C ATOM 0 H5' A A 7 -0.946 9.105 -4.199 1.00 0.00 H new ATOM 0 H5'' A A 7 -1.750 10.447 -4.988 1.00 0.00 H new ATOM 0 H4' A A 7 -3.428 9.223 -4.044 1.00 0.00 H new ATOM 0 H3' A A 7 -3.517 11.798 -3.244 1.00 0.00 H new ATOM 0 H2' A A 7 -1.931 11.601 -1.358 1.00 0.00 H new ATOM 0 HO2' A A 7 -3.717 11.124 0.439 1.00 0.00 H new ATOM 0 H1' A A 7 -3.432 9.194 -0.308 1.00 0.00 H new ATOM 0 H8 A A 7 0.118 10.483 -1.245 1.00 0.00 H new ATOM 0 H61 A A 7 1.910 7.481 3.867 1.00 0.00 H new ATOM 0 H62 A A 7 2.433 8.516 2.534 1.00 0.00 H new ATOM 0 H2 A A 7 -2.450 6.751 3.284 1.00 0.00 H new ATOM 226 P U A 8 -6.033 11.176 -1.729 1.00 0.00 P ATOM 227 OP1 U A 8 -7.294 11.036 -2.490 1.00 0.00 O ATOM 228 OP2 U A 8 -5.554 12.524 -1.350 1.00 0.00 O ATOM 229 O5' U A 8 -6.143 10.256 -0.414 1.00 0.00 O ATOM 230 C5' U A 8 -6.009 8.836 -0.559 1.00 0.00 C ATOM 231 C4' U A 8 -5.639 8.139 0.747 1.00 0.00 C ATOM 232 O4' U A 8 -4.518 8.796 1.348 1.00 0.00 O ATOM 233 C3' U A 8 -6.732 8.158 1.811 1.00 0.00 C ATOM 234 O3' U A 8 -6.567 6.974 2.602 1.00 0.00 O ATOM 235 C2' U A 8 -6.335 9.342 2.670 1.00 0.00 C ATOM 236 O2' U A 8 -6.882 9.237 3.986 1.00 0.00 O ATOM 237 C1' U A 8 -4.832 9.186 2.684 1.00 0.00 C ATOM 238 N1 U A 8 -4.122 10.440 3.000 1.00 0.00 N ATOM 239 C2 U A 8 -3.989 10.788 4.334 1.00 0.00 C ATOM 240 O2 U A 8 -4.442 10.100 5.248 1.00 0.00 O ATOM 241 N3 U A 8 -3.309 11.963 4.586 1.00 0.00 N ATOM 242 C4 U A 8 -2.764 12.807 3.638 1.00 0.00 C ATOM 243 O4 U A 8 -2.179 13.830 3.989 1.00 0.00 O ATOM 244 C5 U A 8 -2.945 12.376 2.271 1.00 0.00 C ATOM 245 C6 U A 8 -3.609 11.224 2.002 1.00 0.00 C ATOM 0 H5' U A 8 -5.246 8.623 -1.308 1.00 0.00 H new ATOM 0 H5'' U A 8 -6.946 8.424 -0.932 1.00 0.00 H new ATOM 0 H4' U A 8 -5.443 7.107 0.456 1.00 0.00 H new ATOM 0 H3' U A 8 -7.748 8.211 1.420 1.00 0.00 H new ATOM 0 H2' U A 8 -6.687 10.306 2.304 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.207 9.508 4.643 1.00 0.00 H new ATOM 0 H1' U A 8 -4.525 8.474 3.450 1.00 0.00 H new ATOM 0 H3 U A 8 -3.199 12.233 5.563 1.00 0.00 H new ATOM 0 H5 U A 8 -2.551 12.972 1.461 1.00 0.00 H new ATOM 0 H6 U A 8 -3.736 10.918 0.974 1.00 0.00 H new ATOM 256 P A A 9 -7.843 6.135 3.121 1.00 0.00 P ATOM 257 OP1 A A 9 -8.467 6.885 4.234 1.00 0.00 O ATOM 258 OP2 A A 9 -7.419 4.732 3.326 1.00 0.00 O ATOM 259 O5' A A 9 -8.845 6.184 1.859 1.00 0.00 O ATOM 260 C5' A A 9 -9.220 4.987 1.166 1.00 0.00 C ATOM 261 C4' A A 9 -9.719 5.289 -0.247 1.00 0.00 C ATOM 262 O4' A A 9 -9.144 6.534 -0.691 1.00 0.00 O ATOM 263 C3' A A 9 -9.307 4.274 -1.316 1.00 0.00 C ATOM 264 O3' A A 9 -10.418 3.395 -1.538 1.00 0.00 O ATOM 265 C2' A A 9 -9.151 5.140 -2.558 1.00 0.00 C ATOM 266 O2' A A 9 -10.427 5.473 -3.113 1.00 0.00 O ATOM 267 C1' A A 9 -8.492 6.364 -1.957 1.00 0.00 C ATOM 268 N9 A A 9 -7.047 6.164 -1.735 1.00 0.00 N ATOM 269 C8 A A 9 -6.411 5.682 -0.620 1.00 0.00 C ATOM 270 N7 A A 9 -5.117 5.600 -0.750 1.00 0.00 N ATOM 271 C5 A A 9 -4.881 6.067 -2.036 1.00 0.00 C ATOM 272 C6 A A 9 -3.706 6.237 -2.785 1.00 0.00 C ATOM 273 N6 A A 9 -2.490 5.950 -2.327 1.00 0.00 N ATOM 274 N1 A A 9 -3.825 6.722 -4.028 1.00 0.00 N ATOM 275 C2 A A 9 -5.031 7.017 -4.491 1.00 0.00 C ATOM 276 N3 A A 9 -6.206 6.904 -3.894 1.00 0.00 N ATOM 277 C4 A A 9 -6.050 6.414 -2.647 1.00 0.00 C ATOM 0 H5' A A 9 -10.000 4.471 1.726 1.00 0.00 H new ATOM 0 H5'' A A 9 -8.365 4.313 1.114 1.00 0.00 H new ATOM 0 H4' A A 9 -10.805 5.286 -0.157 1.00 0.00 H new ATOM 0 H3' A A 9 -8.422 3.692 -1.060 1.00 0.00 H new ATOM 0 H2' A A 9 -8.598 4.673 -3.373 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.762 4.717 -3.639 1.00 0.00 H new ATOM 0 H1' A A 9 -8.585 7.224 -2.620 1.00 0.00 H new ATOM 0 H8 A A 9 -6.933 5.397 0.281 1.00 0.00 H new ATOM 0 H61 A A 9 -1.674 6.096 -2.921 1.00 0.00 H new ATOM 0 H62 A A 9 -2.374 5.584 -1.382 1.00 0.00 H new ATOM 0 H2 A A 9 -5.059 7.405 -5.499 1.00 0.00 H new ATOM 289 P G A 10 -10.322 2.203 -2.625 1.00 0.00 P ATOM 290 OP1 G A 10 -11.660 1.585 -2.755 1.00 0.00 O ATOM 291 OP2 G A 10 -9.149 1.363 -2.293 1.00 0.00 O ATOM 292 O5' G A 10 -10.001 3.007 -3.987 1.00 0.00 O ATOM 293 C5' G A 10 -10.247 2.430 -5.273 1.00 0.00 C ATOM 294 C4' G A 10 -8.963 1.968 -5.963 1.00 0.00 C ATOM 295 O4' G A 10 -7.939 2.956 -5.781 1.00 0.00 O ATOM 296 C3' G A 10 -8.336 0.701 -5.414 1.00 0.00 C ATOM 297 O3' G A 10 -8.911 -0.404 -6.121 1.00 0.00 O ATOM 298 C2' G A 10 -6.891 0.835 -5.871 1.00 0.00 C ATOM 299 O2' G A 10 -6.758 0.483 -7.252 1.00 0.00 O ATOM 300 C1' G A 10 -6.646 2.330 -5.675 1.00 0.00 C ATOM 301 N9 G A 10 -6.084 2.619 -4.344 1.00 0.00 N ATOM 302 C8 G A 10 -6.745 2.748 -3.154 1.00 0.00 C ATOM 303 N7 G A 10 -5.959 2.949 -2.135 1.00 0.00 N ATOM 304 C5 G A 10 -4.685 2.954 -2.690 1.00 0.00 C ATOM 305 C6 G A 10 -3.420 3.130 -2.067 1.00 0.00 C ATOM 306 O6 G A 10 -3.178 3.306 -0.878 1.00 0.00 O ATOM 307 N1 G A 10 -2.384 3.070 -2.985 1.00 0.00 N ATOM 308 C2 G A 10 -2.539 2.865 -4.336 1.00 0.00 C ATOM 309 N2 G A 10 -1.430 2.834 -5.074 1.00 0.00 N ATOM 310 N3 G A 10 -3.723 2.696 -4.933 1.00 0.00 N ATOM 311 C4 G A 10 -4.748 2.754 -4.048 1.00 0.00 C ATOM 0 H5' G A 10 -10.752 3.160 -5.905 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.922 1.581 -5.164 1.00 0.00 H new ATOM 0 H4' G A 10 -9.278 1.798 -6.993 1.00 0.00 H new ATOM 0 H3' G A 10 -8.461 0.560 -4.340 1.00 0.00 H new ATOM 0 H2' G A 10 -6.195 0.190 -5.335 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.834 -0.489 -7.351 1.00 0.00 H new ATOM 0 H1' G A 10 -5.933 2.697 -6.414 1.00 0.00 H new ATOM 0 H8 G A 10 -7.820 2.689 -3.067 1.00 0.00 H new ATOM 0 H1 G A 10 -1.434 3.187 -2.632 1.00 0.00 H new ATOM 0 H21 G A 10 -1.492 2.685 -6.081 1.00 0.00 H new ATOM 0 H22 G A 10 -0.519 2.959 -4.632 1.00 0.00 H new ATOM 323 P G A 11 -8.538 -1.920 -5.720 1.00 0.00 P ATOM 324 OP1 G A 11 -9.500 -2.825 -6.387 1.00 0.00 O ATOM 325 OP2 G A 11 -8.365 -1.983 -4.250 1.00 0.00 O ATOM 326 O5' G A 11 -7.095 -2.123 -6.412 1.00 0.00 O ATOM 327 C5' G A 11 -5.920 -2.339 -5.622 1.00 0.00 C ATOM 328 C4' G A 11 -4.674 -1.786 -6.308 1.00 0.00 C ATOM 329 O4' G A 11 -4.324 -0.530 -5.715 1.00 0.00 O ATOM 330 C3' G A 11 -3.427 -2.640 -6.152 1.00 0.00 C ATOM 331 O3' G A 11 -3.351 -3.481 -7.308 1.00 0.00 O ATOM 332 C2' G A 11 -2.294 -1.629 -6.253 1.00 0.00 C ATOM 333 O2' G A 11 -1.986 -1.347 -7.621 1.00 0.00 O ATOM 334 C1' G A 11 -2.899 -0.398 -5.578 1.00 0.00 C ATOM 335 N9 G A 11 -2.566 -0.317 -4.140 1.00 0.00 N ATOM 336 C8 G A 11 -3.409 -0.103 -3.078 1.00 0.00 C ATOM 337 N7 G A 11 -2.800 -0.056 -1.927 1.00 0.00 N ATOM 338 C5 G A 11 -1.462 -0.253 -2.245 1.00 0.00 C ATOM 339 C6 G A 11 -0.323 -0.303 -1.397 1.00 0.00 C ATOM 340 O6 G A 11 -0.277 -0.175 -0.177 1.00 0.00 O ATOM 341 N1 G A 11 0.841 -0.522 -2.117 1.00 0.00 N ATOM 342 C2 G A 11 0.907 -0.676 -3.482 1.00 0.00 C ATOM 343 N2 G A 11 2.114 -0.894 -4.006 1.00 0.00 N ATOM 344 N3 G A 11 -0.155 -0.630 -4.289 1.00 0.00 N ATOM 345 C4 G A 11 -1.305 -0.416 -3.601 1.00 0.00 C ATOM 0 H5' G A 11 -5.793 -3.406 -5.441 1.00 0.00 H new ATOM 0 H5'' G A 11 -6.042 -1.863 -4.649 1.00 0.00 H new ATOM 0 H4' G A 11 -4.945 -1.734 -7.362 1.00 0.00 H new ATOM 0 H3' G A 11 -3.405 -3.237 -5.240 1.00 0.00 H new ATOM 0 H2' G A 11 -1.362 -1.970 -5.801 1.00 0.00 H new ATOM 0 HO2' G A 11 -2.380 -2.037 -8.194 1.00 0.00 H new ATOM 0 H1' G A 11 -2.503 0.504 -6.045 1.00 0.00 H new ATOM 0 H8 G A 11 -4.477 0.015 -3.186 1.00 0.00 H new ATOM 0 H1 G A 11 1.716 -0.573 -1.594 1.00 0.00 H new ATOM 0 H21 G A 11 2.218 -1.015 -5.013 1.00 0.00 H new ATOM 0 H22 G A 11 2.933 -0.940 -3.399 1.00 0.00 H new ATOM 357 P G A 12 -3.072 -5.062 -7.167 1.00 0.00 P ATOM 358 OP1 G A 12 -3.826 -5.761 -8.231 1.00 0.00 O ATOM 359 OP2 G A 12 -3.266 -5.446 -5.750 1.00 0.00 O ATOM 360 O5' G A 12 -1.502 -5.169 -7.507 1.00 0.00 O ATOM 361 C5' G A 12 -0.896 -6.439 -7.774 1.00 0.00 C ATOM 362 C4' G A 12 0.569 -6.468 -7.340 1.00 0.00 C ATOM 363 O4' G A 12 0.951 -5.166 -6.881 1.00 0.00 O ATOM 364 C3' G A 12 0.862 -7.385 -6.164 1.00 0.00 C ATOM 365 O3' G A 12 1.289 -8.640 -6.704 1.00 0.00 O ATOM 366 C2' G A 12 2.072 -6.736 -5.511 1.00 0.00 C ATOM 367 O2' G A 12 3.275 -7.101 -6.196 1.00 0.00 O ATOM 368 C1' G A 12 1.774 -5.252 -5.706 1.00 0.00 C ATOM 369 N9 G A 12 1.030 -4.677 -4.567 1.00 0.00 N ATOM 370 C8 G A 12 -0.227 -4.129 -4.555 1.00 0.00 C ATOM 371 N7 G A 12 -0.605 -3.706 -3.382 1.00 0.00 N ATOM 372 C5 G A 12 0.476 -3.995 -2.558 1.00 0.00 C ATOM 373 C6 G A 12 0.648 -3.762 -1.167 1.00 0.00 C ATOM 374 O6 G A 12 -0.140 -3.248 -0.377 1.00 0.00 O ATOM 375 N1 G A 12 1.884 -4.201 -0.724 1.00 0.00 N ATOM 376 C2 G A 12 2.843 -4.792 -1.516 1.00 0.00 C ATOM 377 N2 G A 12 3.981 -5.152 -0.923 1.00 0.00 N ATOM 378 N3 G A 12 2.693 -5.016 -2.824 1.00 0.00 N ATOM 379 C4 G A 12 1.487 -4.590 -3.274 1.00 0.00 C ATOM 0 H5' G A 12 -0.964 -6.658 -8.840 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.446 -7.222 -7.252 1.00 0.00 H new ATOM 0 H4' G A 12 1.110 -6.820 -8.218 1.00 0.00 H new ATOM 0 H3' G A 12 0.018 -7.529 -5.489 1.00 0.00 H new ATOM 0 H2' G A 12 2.223 -7.028 -4.472 1.00 0.00 H new ATOM 0 HO2' G A 12 3.061 -7.718 -6.927 1.00 0.00 H new ATOM 0 H1' G A 12 2.708 -4.697 -5.792 1.00 0.00 H new ATOM 0 H8 G A 12 -0.847 -4.055 -5.437 1.00 0.00 H new ATOM 0 H1 G A 12 2.101 -4.077 0.265 1.00 0.00 H new ATOM 0 H21 G A 12 4.722 -5.594 -1.467 1.00 0.00 H new ATOM 0 H22 G A 12 4.111 -4.986 0.075 1.00 0.00 H new ATOM 391 P U A 13 0.998 -10.015 -5.916 1.00 0.00 P ATOM 392 OP1 U A 13 1.399 -11.141 -6.788 1.00 0.00 O ATOM 393 OP2 U A 13 -0.377 -9.957 -5.371 1.00 0.00 O ATOM 394 O5' U A 13 2.030 -9.939 -4.682 1.00 0.00 O ATOM 395 C5' U A 13 3.443 -9.967 -4.910 1.00 0.00 C ATOM 396 C4' U A 13 4.225 -9.842 -3.606 1.00 0.00 C ATOM 397 O4' U A 13 4.045 -8.524 -3.074 1.00 0.00 O ATOM 398 C3' U A 13 3.756 -10.760 -2.490 1.00 0.00 C ATOM 399 O3' U A 13 4.547 -11.951 -2.563 1.00 0.00 O ATOM 400 C2' U A 13 4.173 -10.013 -1.233 1.00 0.00 C ATOM 401 O2' U A 13 5.559 -10.227 -0.950 1.00 0.00 O ATOM 402 C1' U A 13 3.927 -8.561 -1.639 1.00 0.00 C ATOM 403 N1 U A 13 2.577 -8.089 -1.252 1.00 0.00 N ATOM 404 C2 U A 13 2.411 -7.615 0.038 1.00 0.00 C ATOM 405 O2 U A 13 3.326 -7.592 0.860 1.00 0.00 O ATOM 406 N3 U A 13 1.144 -7.172 0.360 1.00 0.00 N ATOM 407 C4 U A 13 0.046 -7.162 -0.477 1.00 0.00 C ATOM 408 O4 U A 13 -1.033 -6.737 -0.070 1.00 0.00 O ATOM 409 C5 U A 13 0.296 -7.674 -1.804 1.00 0.00 C ATOM 410 C6 U A 13 1.533 -8.114 -2.143 1.00 0.00 C ATOM 0 H5' U A 13 3.720 -9.153 -5.580 1.00 0.00 H new ATOM 0 H5'' U A 13 3.713 -10.898 -5.409 1.00 0.00 H new ATOM 0 H4' U A 13 5.250 -10.095 -3.878 1.00 0.00 H new ATOM 0 H3' U A 13 2.695 -11.006 -2.528 1.00 0.00 H new ATOM 0 H2' U A 13 3.638 -10.324 -0.336 1.00 0.00 H new ATOM 0 HO2' U A 13 5.945 -10.814 -1.633 1.00 0.00 H new ATOM 0 H1' U A 13 4.643 -7.911 -1.136 1.00 0.00 H new ATOM 0 H3 U A 13 1.006 -6.818 1.307 1.00 0.00 H new ATOM 0 H5 U A 13 -0.504 -7.707 -2.528 1.00 0.00 H new ATOM 0 H6 U A 13 1.701 -8.494 -3.140 1.00 0.00 H new ATOM 421 P C A 14 3.976 -13.349 -2.002 1.00 0.00 P ATOM 422 OP1 C A 14 4.902 -14.427 -2.418 1.00 0.00 O ATOM 423 OP2 C A 14 2.540 -13.436 -2.348 1.00 0.00 O ATOM 424 O5' C A 14 4.099 -13.164 -0.407 1.00 0.00 O ATOM 425 C5' C A 14 5.381 -13.160 0.230 1.00 0.00 C ATOM 426 C4' C A 14 5.264 -12.898 1.728 1.00 0.00 C ATOM 427 O4' C A 14 4.841 -11.551 1.937 1.00 0.00 O ATOM 428 C3' C A 14 4.212 -13.732 2.443 1.00 0.00 C ATOM 429 O3' C A 14 4.751 -14.999 2.829 1.00 0.00 O ATOM 430 C2' C A 14 3.919 -12.877 3.671 1.00 0.00 C ATOM 431 O2' C A 14 4.900 -13.105 4.687 1.00 0.00 O ATOM 432 C1' C A 14 4.040 -11.453 3.123 1.00 0.00 C ATOM 433 N1 C A 14 2.726 -10.869 2.768 1.00 0.00 N ATOM 434 C2 C A 14 2.126 -10.025 3.693 1.00 0.00 C ATOM 435 O2 C A 14 2.676 -9.787 4.767 1.00 0.00 O ATOM 436 N3 C A 14 0.920 -9.472 3.385 1.00 0.00 N ATOM 437 C4 C A 14 0.324 -9.737 2.216 1.00 0.00 C ATOM 438 N4 C A 14 -0.854 -9.163 1.973 1.00 0.00 N ATOM 439 C5 C A 14 0.936 -10.606 1.259 1.00 0.00 C ATOM 440 C6 C A 14 2.128 -11.147 1.572 1.00 0.00 C ATOM 0 H5' C A 14 6.011 -12.396 -0.225 1.00 0.00 H new ATOM 0 H5'' C A 14 5.873 -14.119 0.065 1.00 0.00 H new ATOM 0 H4' C A 14 6.250 -13.140 2.124 1.00 0.00 H new ATOM 0 H3' C A 14 3.334 -13.955 1.837 1.00 0.00 H new ATOM 0 H2' C A 14 2.953 -13.089 4.129 1.00 0.00 H new ATOM 0 HO2' C A 14 5.350 -13.960 4.522 1.00 0.00 H new ATOM 0 HO3' C A 14 4.061 -15.521 3.289 1.00 0.00 H new ATOM 0 H1' C A 14 4.477 -10.805 3.883 1.00 0.00 H new ATOM 0 H41 C A 14 -1.337 -9.342 1.093 1.00 0.00 H new ATOM 0 H42 C A 14 -1.273 -8.544 2.668 1.00 0.00 H new ATOM 0 H5 C A 14 0.457 -10.821 0.315 1.00 0.00 H new ATOM 0 H6 C A 14 2.616 -11.807 0.871 1.00 0.00 H new TER 453 C A 14