USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 133 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 -18:sc= 0.222 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -26:sc= 0.254 USER MOD Single : A 3 G O2' : rot -25:sc= 0.207 USER MOD Single : A 4 C O2' : rot -31:sc= 0.199 USER MOD Single : A 5 G O2' : rot -119:sc= 1.32 USER MOD Single : A 6 A O2' : rot -8:sc= 0.099 USER MOD Single : A 7 G O2' : rot -98:sc= 1.68 USER MOD Single : A 8 A O2' : rot -90:sc= 1.19 USER MOD Single : A 9 G O2' : rot 52:sc= -4.04! USER MOD Single : A 10 C O2' : rot -159:sc= -0.465 USER MOD Single : A 11 C O2' : rot -144:sc= 0.182 USER MOD Single : A 12 U O2' : rot -15:sc= 0.117 USER MOD Single : A 12 U O3' : rot 180:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.660 3.368 -10.491 1.00 0.00 O ATOM 2 C5' G A 1 -7.541 3.370 -9.064 1.00 0.00 C ATOM 3 C4' G A 1 -8.705 2.635 -8.402 1.00 0.00 C ATOM 4 O4' G A 1 -8.720 1.244 -8.758 1.00 0.00 O ATOM 5 C3' G A 1 -8.581 2.661 -6.886 1.00 0.00 C ATOM 6 O3' G A 1 -9.259 3.819 -6.385 1.00 0.00 O ATOM 7 C2' G A 1 -9.363 1.425 -6.492 1.00 0.00 C ATOM 8 O2' G A 1 -10.776 1.659 -6.520 1.00 0.00 O ATOM 9 C1' G A 1 -8.933 0.448 -7.577 1.00 0.00 C ATOM 10 N9 G A 1 -7.702 -0.264 -7.186 1.00 0.00 N ATOM 11 C8 G A 1 -6.431 -0.095 -7.623 1.00 0.00 C ATOM 12 N7 G A 1 -5.515 -0.847 -7.113 1.00 0.00 N ATOM 13 C5 G A 1 -6.254 -1.624 -6.216 1.00 0.00 C ATOM 14 C6 G A 1 -5.829 -2.652 -5.334 1.00 0.00 C ATOM 15 O6 G A 1 -4.694 -3.091 -5.162 1.00 0.00 O ATOM 16 N1 G A 1 -6.890 -3.172 -4.608 1.00 0.00 N ATOM 17 C2 G A 1 -8.199 -2.760 -4.712 1.00 0.00 C ATOM 18 N2 G A 1 -9.074 -3.380 -3.928 1.00 0.00 N ATOM 19 N3 G A 1 -8.612 -1.797 -5.536 1.00 0.00 N ATOM 20 C4 G A 1 -7.595 -1.272 -6.255 1.00 0.00 C ATOM 0 H5' G A 1 -7.506 4.398 -8.703 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.601 2.899 -8.776 1.00 0.00 H new ATOM 0 H4' G A 1 -9.606 3.144 -8.743 1.00 0.00 H new ATOM 0 H3' G A 1 -7.556 2.685 -6.516 1.00 0.00 H new ATOM 0 H2' G A 1 -9.171 1.080 -5.476 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.948 2.623 -6.498 1.00 0.00 H new ATOM 0 HO5' G A 1 -6.901 3.847 -10.883 1.00 0.00 H new ATOM 0 H1' G A 1 -9.688 -0.320 -7.747 1.00 0.00 H new ATOM 0 H8 G A 1 -6.192 0.644 -8.373 1.00 0.00 H new ATOM 0 H1 G A 1 -6.684 -3.919 -3.945 1.00 0.00 H new ATOM 0 H21 G A 1 -10.060 -3.120 -3.958 1.00 0.00 H new ATOM 0 H22 G A 1 -8.760 -4.116 -3.296 1.00 0.00 H new ATOM 33 P G A 2 -8.700 4.602 -5.091 1.00 0.00 P ATOM 34 OP1 G A 2 -9.541 5.801 -4.876 1.00 0.00 O ATOM 35 OP2 G A 2 -7.233 4.748 -5.233 1.00 0.00 O ATOM 36 O5' G A 2 -8.988 3.560 -3.895 1.00 0.00 O ATOM 37 C5' G A 2 -10.328 3.300 -3.457 1.00 0.00 C ATOM 38 C4' G A 2 -10.425 1.990 -2.676 1.00 0.00 C ATOM 39 O4' G A 2 -9.912 0.889 -3.439 1.00 0.00 O ATOM 40 C3' G A 2 -9.577 2.028 -1.413 1.00 0.00 C ATOM 41 O3' G A 2 -10.365 2.559 -0.339 1.00 0.00 O ATOM 42 C2' G A 2 -9.338 0.553 -1.164 1.00 0.00 C ATOM 43 O2' G A 2 -10.467 -0.070 -0.539 1.00 0.00 O ATOM 44 C1' G A 2 -9.128 0.038 -2.583 1.00 0.00 C ATOM 45 N9 G A 2 -7.700 0.074 -2.951 1.00 0.00 N ATOM 46 C8 G A 2 -7.031 0.930 -3.764 1.00 0.00 C ATOM 47 N7 G A 2 -5.765 0.734 -3.928 1.00 0.00 N ATOM 48 C5 G A 2 -5.546 -0.393 -3.127 1.00 0.00 C ATOM 49 C6 G A 2 -4.349 -1.116 -2.875 1.00 0.00 C ATOM 50 O6 G A 2 -3.222 -0.912 -3.319 1.00 0.00 O ATOM 51 N1 G A 2 -4.570 -2.178 -2.013 1.00 0.00 N ATOM 52 C2 G A 2 -5.785 -2.511 -1.457 1.00 0.00 C ATOM 53 N2 G A 2 -5.791 -3.558 -0.641 1.00 0.00 N ATOM 54 N3 G A 2 -6.914 -1.843 -1.687 1.00 0.00 N ATOM 55 C4 G A 2 -6.726 -0.801 -2.526 1.00 0.00 C ATOM 0 H5' G A 2 -10.991 3.258 -4.321 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.672 4.123 -2.831 1.00 0.00 H new ATOM 0 H4' G A 2 -11.483 1.866 -2.446 1.00 0.00 H new ATOM 0 H3' G A 2 -8.671 2.628 -1.493 1.00 0.00 H new ATOM 0 H2' G A 2 -8.509 0.347 -0.487 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.971 0.600 -0.032 1.00 0.00 H new ATOM 0 H1' G A 2 -9.440 -1.002 -2.678 1.00 0.00 H new ATOM 0 H8 G A 2 -7.539 1.746 -4.256 1.00 0.00 H new ATOM 0 H1 G A 2 -3.768 -2.760 -1.771 1.00 0.00 H new ATOM 0 H21 G A 2 -6.661 -3.854 -0.198 1.00 0.00 H new ATOM 0 H22 G A 2 -4.926 -4.066 -0.457 1.00 0.00 H new ATOM 67 P G A 3 -9.659 3.149 0.986 1.00 0.00 P ATOM 68 OP1 G A 3 -10.690 3.848 1.788 1.00 0.00 O ATOM 69 OP2 G A 3 -8.433 3.869 0.576 1.00 0.00 O ATOM 70 O5' G A 3 -9.216 1.816 1.779 1.00 0.00 O ATOM 71 C5' G A 3 -10.084 1.214 2.749 1.00 0.00 C ATOM 72 C4' G A 3 -9.353 0.170 3.595 1.00 0.00 C ATOM 73 O4' G A 3 -8.832 -0.895 2.782 1.00 0.00 O ATOM 74 C3' G A 3 -8.140 0.770 4.294 1.00 0.00 C ATOM 75 O3' G A 3 -8.534 1.269 5.578 1.00 0.00 O ATOM 76 C2' G A 3 -7.266 -0.451 4.493 1.00 0.00 C ATOM 77 O2' G A 3 -7.713 -1.250 5.598 1.00 0.00 O ATOM 78 C1' G A 3 -7.470 -1.164 3.166 1.00 0.00 C ATOM 79 N9 G A 3 -6.522 -0.667 2.152 1.00 0.00 N ATOM 80 C8 G A 3 -6.664 0.341 1.258 1.00 0.00 C ATOM 81 N7 G A 3 -5.669 0.592 0.477 1.00 0.00 N ATOM 82 C5 G A 3 -4.736 -0.363 0.891 1.00 0.00 C ATOM 83 C6 G A 3 -3.421 -0.612 0.423 1.00 0.00 C ATOM 84 O6 G A 3 -2.807 -0.037 -0.470 1.00 0.00 O ATOM 85 N1 G A 3 -2.826 -1.656 1.109 1.00 0.00 N ATOM 86 C2 G A 3 -3.413 -2.378 2.123 1.00 0.00 C ATOM 87 N2 G A 3 -2.676 -3.346 2.657 1.00 0.00 N ATOM 88 N3 G A 3 -4.649 -2.155 2.573 1.00 0.00 N ATOM 89 C4 G A 3 -5.252 -1.138 1.918 1.00 0.00 C ATOM 0 H5' G A 3 -10.927 0.745 2.241 1.00 0.00 H new ATOM 0 H5'' G A 3 -10.494 1.987 3.399 1.00 0.00 H new ATOM 0 H4' G A 3 -10.091 -0.194 4.310 1.00 0.00 H new ATOM 0 H3' G A 3 -7.666 1.586 3.749 1.00 0.00 H new ATOM 0 H2' G A 3 -6.226 -0.228 4.731 1.00 0.00 H new ATOM 0 HO2' G A 3 -8.206 -0.687 6.231 1.00 0.00 H new ATOM 0 H1' G A 3 -7.288 -2.235 3.254 1.00 0.00 H new ATOM 0 H8 G A 3 -7.578 0.914 1.201 1.00 0.00 H new ATOM 0 H1 G A 3 -1.875 -1.911 0.842 1.00 0.00 H new ATOM 0 H21 G A 3 -3.054 -3.917 3.413 1.00 0.00 H new ATOM 0 H22 G A 3 -1.732 -3.518 2.311 1.00 0.00 H new ATOM 101 P C A 4 -7.561 2.261 6.396 1.00 0.00 P ATOM 102 OP1 C A 4 -8.089 2.400 7.770 1.00 0.00 O ATOM 103 OP2 C A 4 -7.327 3.466 5.569 1.00 0.00 O ATOM 104 O5' C A 4 -6.187 1.419 6.467 1.00 0.00 O ATOM 105 C5' C A 4 -4.919 2.077 6.376 1.00 0.00 C ATOM 106 C4' C A 4 -3.764 1.077 6.383 1.00 0.00 C ATOM 107 O4' C A 4 -3.776 0.241 5.213 1.00 0.00 O ATOM 108 C3' C A 4 -2.422 1.790 6.348 1.00 0.00 C ATOM 109 O3' C A 4 -2.007 2.061 7.692 1.00 0.00 O ATOM 110 C2' C A 4 -1.528 0.722 5.752 1.00 0.00 C ATOM 111 O2' C A 4 -1.174 -0.275 6.720 1.00 0.00 O ATOM 112 C1' C A 4 -2.442 0.155 4.672 1.00 0.00 C ATOM 113 N1 C A 4 -2.324 0.927 3.414 1.00 0.00 N ATOM 114 C2 C A 4 -1.127 0.841 2.711 1.00 0.00 C ATOM 115 O2 C A 4 -0.213 0.129 3.121 1.00 0.00 O ATOM 116 N3 C A 4 -1.000 1.562 1.563 1.00 0.00 N ATOM 117 C4 C A 4 -2.000 2.333 1.121 1.00 0.00 C ATOM 118 N4 C A 4 -1.841 3.023 -0.005 1.00 0.00 N ATOM 119 C5 C A 4 -3.234 2.424 1.839 1.00 0.00 C ATOM 120 C6 C A 4 -3.353 1.709 2.973 1.00 0.00 C ATOM 0 H5' C A 4 -4.807 2.769 7.211 1.00 0.00 H new ATOM 0 H5'' C A 4 -4.881 2.671 5.463 1.00 0.00 H new ATOM 0 H4' C A 4 -3.892 0.491 7.293 1.00 0.00 H new ATOM 0 H3' C A 4 -2.419 2.734 5.804 1.00 0.00 H new ATOM 0 H2' C A 4 -0.570 1.090 5.386 1.00 0.00 H new ATOM 0 HO2' C A 4 -1.132 0.133 7.610 1.00 0.00 H new ATOM 0 H1' C A 4 -2.177 -0.872 4.420 1.00 0.00 H new ATOM 0 H41 C A 4 -2.596 3.614 -0.352 1.00 0.00 H new ATOM 0 H42 C A 4 -0.964 2.961 -0.522 1.00 0.00 H new ATOM 0 H5 C A 4 -4.043 3.045 1.483 1.00 0.00 H new ATOM 0 H6 C A 4 -4.271 1.754 3.540 1.00 0.00 H new ATOM 132 P G A 5 -1.254 3.439 8.057 1.00 0.00 P ATOM 133 OP1 G A 5 -1.249 3.589 9.530 1.00 0.00 O ATOM 134 OP2 G A 5 -1.814 4.514 7.207 1.00 0.00 O ATOM 135 O5' G A 5 0.253 3.148 7.572 1.00 0.00 O ATOM 136 C5' G A 5 1.082 2.224 8.287 1.00 0.00 C ATOM 137 C4' G A 5 2.240 1.723 7.430 1.00 0.00 C ATOM 138 O4' G A 5 1.769 1.141 6.206 1.00 0.00 O ATOM 139 C3' G A 5 3.158 2.860 7.008 1.00 0.00 C ATOM 140 O3' G A 5 4.182 3.026 8.002 1.00 0.00 O ATOM 141 C2' G A 5 3.785 2.291 5.751 1.00 0.00 C ATOM 142 O2' G A 5 4.831 1.359 6.056 1.00 0.00 O ATOM 143 C1' G A 5 2.588 1.596 5.113 1.00 0.00 C ATOM 144 N9 G A 5 1.842 2.519 4.234 1.00 0.00 N ATOM 145 C8 G A 5 0.698 3.209 4.473 1.00 0.00 C ATOM 146 N7 G A 5 0.249 3.967 3.531 1.00 0.00 N ATOM 147 C5 G A 5 1.204 3.772 2.528 1.00 0.00 C ATOM 148 C6 G A 5 1.286 4.332 1.226 1.00 0.00 C ATOM 149 O6 G A 5 0.519 5.122 0.683 1.00 0.00 O ATOM 150 N1 G A 5 2.404 3.874 0.545 1.00 0.00 N ATOM 151 C2 G A 5 3.330 2.987 1.045 1.00 0.00 C ATOM 152 N2 G A 5 4.324 2.660 0.232 1.00 0.00 N ATOM 153 N3 G A 5 3.264 2.452 2.265 1.00 0.00 N ATOM 154 C4 G A 5 2.183 2.885 2.952 1.00 0.00 C ATOM 0 H5' G A 5 0.481 1.377 8.617 1.00 0.00 H new ATOM 0 H5'' G A 5 1.474 2.705 9.183 1.00 0.00 H new ATOM 0 H4' G A 5 2.766 0.995 8.048 1.00 0.00 H new ATOM 0 H3' G A 5 2.660 3.820 6.875 1.00 0.00 H new ATOM 0 H2' G A 5 4.264 3.036 5.115 1.00 0.00 H new ATOM 0 HO2' G A 5 5.678 1.686 5.687 1.00 0.00 H new ATOM 0 H1' G A 5 2.901 0.766 4.480 1.00 0.00 H new ATOM 0 H8 G A 5 0.182 3.126 5.418 1.00 0.00 H new ATOM 0 H1 G A 5 2.552 4.222 -0.402 1.00 0.00 H new ATOM 0 H21 G A 5 5.043 2.007 0.543 1.00 0.00 H new ATOM 0 H22 G A 5 4.370 3.061 -0.705 1.00 0.00 H new ATOM 166 P A A 6 4.150 4.268 9.032 1.00 0.00 P ATOM 167 OP1 A A 6 4.933 3.893 10.230 1.00 0.00 O ATOM 168 OP2 A A 6 2.745 4.716 9.180 1.00 0.00 O ATOM 169 O5' A A 6 4.965 5.410 8.235 1.00 0.00 O ATOM 170 C5' A A 6 4.379 6.694 7.981 1.00 0.00 C ATOM 171 C4' A A 6 5.214 7.515 6.998 1.00 0.00 C ATOM 172 O4' A A 6 6.533 7.760 7.509 1.00 0.00 O ATOM 173 C3' A A 6 5.399 6.768 5.682 1.00 0.00 C ATOM 174 O3' A A 6 4.416 7.242 4.753 1.00 0.00 O ATOM 175 C2' A A 6 6.766 7.235 5.219 1.00 0.00 C ATOM 176 O2' A A 6 6.690 8.491 4.534 1.00 0.00 O ATOM 177 C1' A A 6 7.512 7.363 6.538 1.00 0.00 C ATOM 178 N9 A A 6 8.152 6.091 6.924 1.00 0.00 N ATOM 179 C8 A A 6 7.784 5.195 7.870 1.00 0.00 C ATOM 180 N7 A A 6 8.542 4.166 8.047 1.00 0.00 N ATOM 181 C5 A A 6 9.547 4.394 7.100 1.00 0.00 C ATOM 182 C6 A A 6 10.694 3.677 6.744 1.00 0.00 C ATOM 183 N6 A A 6 11.050 2.536 7.329 1.00 0.00 N ATOM 184 N1 A A 6 11.464 4.184 5.767 1.00 0.00 N ATOM 185 C2 A A 6 11.129 5.332 5.172 1.00 0.00 C ATOM 186 N3 A A 6 10.070 6.091 5.430 1.00 0.00 N ATOM 187 C4 A A 6 9.314 5.562 6.411 1.00 0.00 C ATOM 0 H5' A A 6 4.280 7.240 8.919 1.00 0.00 H new ATOM 0 H5'' A A 6 3.373 6.562 7.582 1.00 0.00 H new ATOM 0 H4' A A 6 4.674 8.450 6.850 1.00 0.00 H new ATOM 0 H3' A A 6 5.309 5.685 5.769 1.00 0.00 H new ATOM 0 H2' A A 6 7.243 6.564 4.505 1.00 0.00 H new ATOM 0 HO2' A A 6 5.750 8.728 4.388 1.00 0.00 H new ATOM 0 H1' A A 6 8.318 8.093 6.461 1.00 0.00 H new ATOM 0 H8 A A 6 6.888 5.337 8.456 1.00 0.00 H new ATOM 0 H61 A A 6 11.897 2.053 7.031 1.00 0.00 H new ATOM 0 H62 A A 6 10.476 2.145 8.076 1.00 0.00 H new ATOM 0 H2 A A 6 11.793 5.682 4.395 1.00 0.00 H new ATOM 199 P G A 7 3.678 6.225 3.744 1.00 0.00 P ATOM 200 OP1 G A 7 2.590 6.959 3.059 1.00 0.00 O ATOM 201 OP2 G A 7 3.376 4.980 4.484 1.00 0.00 O ATOM 202 O5' G A 7 4.830 5.904 2.662 1.00 0.00 O ATOM 203 C5' G A 7 5.362 6.942 1.826 1.00 0.00 C ATOM 204 C4' G A 7 6.587 6.471 1.045 1.00 0.00 C ATOM 205 O4' G A 7 7.635 6.071 1.935 1.00 0.00 O ATOM 206 C3' G A 7 6.241 5.272 0.163 1.00 0.00 C ATOM 207 O3' G A 7 6.303 5.704 -1.206 1.00 0.00 O ATOM 208 C2' G A 7 7.363 4.262 0.405 1.00 0.00 C ATOM 209 O2' G A 7 8.317 4.277 -0.663 1.00 0.00 O ATOM 210 C1' G A 7 8.014 4.710 1.711 1.00 0.00 C ATOM 211 N9 G A 7 7.634 3.856 2.857 1.00 0.00 N ATOM 212 C8 G A 7 6.446 3.721 3.502 1.00 0.00 C ATOM 213 N7 G A 7 6.398 2.913 4.506 1.00 0.00 N ATOM 214 C5 G A 7 7.711 2.441 4.555 1.00 0.00 C ATOM 215 C6 G A 7 8.312 1.513 5.447 1.00 0.00 C ATOM 216 O6 G A 7 7.798 0.914 6.388 1.00 0.00 O ATOM 217 N1 G A 7 9.652 1.317 5.150 1.00 0.00 N ATOM 218 C2 G A 7 10.336 1.933 4.125 1.00 0.00 C ATOM 219 N2 G A 7 11.621 1.619 4.002 1.00 0.00 N ATOM 220 N3 G A 7 9.782 2.804 3.281 1.00 0.00 N ATOM 221 C4 G A 7 8.474 3.013 3.550 1.00 0.00 C ATOM 0 H5' G A 7 5.631 7.801 2.440 1.00 0.00 H new ATOM 0 H5'' G A 7 4.594 7.277 1.129 1.00 0.00 H new ATOM 0 H4' G A 7 6.916 7.308 0.429 1.00 0.00 H new ATOM 0 H3' G A 7 5.257 4.855 0.376 1.00 0.00 H new ATOM 0 H2' G A 7 6.983 3.242 0.456 1.00 0.00 H new ATOM 0 HO2' G A 7 8.125 3.543 -1.284 1.00 0.00 H new ATOM 0 H1' G A 7 9.097 4.618 1.624 1.00 0.00 H new ATOM 0 H8 G A 7 5.572 4.271 3.185 1.00 0.00 H new ATOM 0 H1 G A 7 10.173 0.665 5.737 1.00 0.00 H new ATOM 0 H21 G A 7 12.181 2.042 3.262 1.00 0.00 H new ATOM 0 H22 G A 7 12.048 0.955 4.648 1.00 0.00 H new ATOM 233 P A A 8 5.604 4.848 -2.383 1.00 0.00 P ATOM 234 OP1 A A 8 5.336 5.756 -3.521 1.00 0.00 O ATOM 235 OP2 A A 8 4.497 4.061 -1.790 1.00 0.00 O ATOM 236 O5' A A 8 6.773 3.823 -2.816 1.00 0.00 O ATOM 237 C5' A A 8 7.751 4.195 -3.795 1.00 0.00 C ATOM 238 C4' A A 8 8.934 3.225 -3.814 1.00 0.00 C ATOM 239 O4' A A 8 9.540 3.133 -2.517 1.00 0.00 O ATOM 240 C3' A A 8 8.488 1.812 -4.184 1.00 0.00 C ATOM 241 O3' A A 8 8.767 1.602 -5.578 1.00 0.00 O ATOM 242 C2' A A 8 9.416 0.934 -3.358 1.00 0.00 C ATOM 243 O2' A A 8 10.667 0.709 -4.021 1.00 0.00 O ATOM 244 C1' A A 8 9.592 1.765 -2.097 1.00 0.00 C ATOM 245 N9 A A 8 8.537 1.463 -1.104 1.00 0.00 N ATOM 246 C8 A A 8 7.192 1.613 -1.188 1.00 0.00 C ATOM 247 N7 A A 8 6.486 1.254 -0.169 1.00 0.00 N ATOM 248 C5 A A 8 7.473 0.811 0.714 1.00 0.00 C ATOM 249 C6 A A 8 7.421 0.288 2.010 1.00 0.00 C ATOM 250 N6 A A 8 6.284 0.113 2.682 1.00 0.00 N ATOM 251 N1 A A 8 8.586 -0.043 2.589 1.00 0.00 N ATOM 252 C2 A A 8 9.737 0.131 1.936 1.00 0.00 C ATOM 253 N3 A A 8 9.901 0.613 0.712 1.00 0.00 N ATOM 254 C4 A A 8 8.723 0.936 0.152 1.00 0.00 C ATOM 0 H5' A A 8 8.110 5.202 -3.585 1.00 0.00 H new ATOM 0 H5'' A A 8 7.287 4.221 -4.781 1.00 0.00 H new ATOM 0 H4' A A 8 9.637 3.613 -4.551 1.00 0.00 H new ATOM 0 H3' A A 8 7.430 1.617 -4.006 1.00 0.00 H new ATOM 0 H2' A A 8 9.024 -0.067 -3.176 1.00 0.00 H new ATOM 0 HO2' A A 8 10.602 -0.094 -4.579 1.00 0.00 H new ATOM 0 H1' A A 8 10.538 1.541 -1.603 1.00 0.00 H new ATOM 0 H8 A A 8 6.728 2.018 -2.075 1.00 0.00 H new ATOM 0 H61 A A 8 6.304 -0.273 3.626 1.00 0.00 H new ATOM 0 H62 A A 8 5.394 0.365 2.252 1.00 0.00 H new ATOM 0 H2 A A 8 10.635 -0.153 2.464 1.00 0.00 H new ATOM 266 P G A 9 8.494 0.173 -6.276 1.00 0.00 P ATOM 267 OP1 G A 9 9.334 -0.841 -5.596 1.00 0.00 O ATOM 268 OP2 G A 9 8.595 0.349 -7.742 1.00 0.00 O ATOM 269 O5' G A 9 6.949 -0.105 -5.908 1.00 0.00 O ATOM 270 C5' G A 9 6.522 -1.371 -5.388 1.00 0.00 C ATOM 271 C4' G A 9 6.970 -1.575 -3.940 1.00 0.00 C ATOM 272 O4' G A 9 6.485 -0.523 -3.090 1.00 0.00 O ATOM 273 C3' G A 9 6.390 -2.857 -3.361 1.00 0.00 C ATOM 274 O3' G A 9 7.188 -3.244 -2.231 1.00 0.00 O ATOM 275 C2' G A 9 5.036 -2.376 -2.878 1.00 0.00 C ATOM 276 O2' G A 9 4.456 -3.254 -1.905 1.00 0.00 O ATOM 277 C1' G A 9 5.402 -1.021 -2.282 1.00 0.00 C ATOM 278 N9 G A 9 4.251 -0.097 -2.312 1.00 0.00 N ATOM 279 C8 G A 9 3.831 0.725 -3.304 1.00 0.00 C ATOM 280 N7 G A 9 2.776 1.436 -3.087 1.00 0.00 N ATOM 281 C5 G A 9 2.436 1.051 -1.785 1.00 0.00 C ATOM 282 C6 G A 9 1.357 1.474 -0.960 1.00 0.00 C ATOM 283 O6 G A 9 0.478 2.291 -1.215 1.00 0.00 O ATOM 284 N1 G A 9 1.378 0.840 0.273 1.00 0.00 N ATOM 285 C2 G A 9 2.317 -0.086 0.672 1.00 0.00 C ATOM 286 N2 G A 9 2.165 -0.588 1.893 1.00 0.00 N ATOM 287 N3 G A 9 3.334 -0.491 -0.093 1.00 0.00 N ATOM 288 C4 G A 9 3.335 0.112 -1.304 1.00 0.00 C ATOM 0 H5' G A 9 6.924 -2.172 -6.008 1.00 0.00 H new ATOM 0 H5'' G A 9 5.436 -1.439 -5.445 1.00 0.00 H new ATOM 0 H4' G A 9 8.059 -1.600 -3.967 1.00 0.00 H new ATOM 0 H3' G A 9 6.349 -3.702 -4.049 1.00 0.00 H new ATOM 0 H2' G A 9 4.278 -2.333 -3.660 1.00 0.00 H new ATOM 0 HO2' G A 9 5.104 -3.423 -1.190 1.00 0.00 H new ATOM 0 H1' G A 9 5.690 -1.111 -1.235 1.00 0.00 H new ATOM 0 H8 G A 9 4.361 0.783 -4.243 1.00 0.00 H new ATOM 0 H1 G A 9 0.641 1.078 0.936 1.00 0.00 H new ATOM 0 H21 G A 9 2.828 -1.278 2.247 1.00 0.00 H new ATOM 0 H22 G A 9 1.386 -0.283 2.476 1.00 0.00 H new ATOM 300 P C A 10 7.198 -4.767 -1.705 1.00 0.00 P ATOM 301 OP1 C A 10 8.337 -4.930 -0.772 1.00 0.00 O ATOM 302 OP2 C A 10 7.067 -5.665 -2.875 1.00 0.00 O ATOM 303 O5' C A 10 5.829 -4.843 -0.857 1.00 0.00 O ATOM 304 C5' C A 10 5.831 -5.272 0.508 1.00 0.00 C ATOM 305 C4' C A 10 4.417 -5.360 1.080 1.00 0.00 C ATOM 306 O4' C A 10 3.751 -4.104 1.069 1.00 0.00 O ATOM 307 C3' C A 10 3.521 -6.243 0.235 1.00 0.00 C ATOM 308 O3' C A 10 3.733 -7.614 0.604 1.00 0.00 O ATOM 309 C2' C A 10 2.131 -5.815 0.695 1.00 0.00 C ATOM 310 O2' C A 10 1.663 -6.621 1.780 1.00 0.00 O ATOM 311 C1' C A 10 2.339 -4.359 1.138 1.00 0.00 C ATOM 312 N1 C A 10 1.569 -3.427 0.282 1.00 0.00 N ATOM 313 C2 C A 10 0.368 -2.946 0.785 1.00 0.00 C ATOM 314 O2 C A 10 -0.027 -3.297 1.895 1.00 0.00 O ATOM 315 N3 C A 10 -0.359 -2.092 0.017 1.00 0.00 N ATOM 316 C4 C A 10 0.067 -1.724 -1.193 1.00 0.00 C ATOM 317 N4 C A 10 -0.671 -0.884 -1.913 1.00 0.00 N ATOM 318 C5 C A 10 1.299 -2.214 -1.722 1.00 0.00 C ATOM 319 C6 C A 10 2.018 -3.060 -0.955 1.00 0.00 C ATOM 0 H5' C A 10 6.422 -4.578 1.106 1.00 0.00 H new ATOM 0 H5'' C A 10 6.314 -6.247 0.581 1.00 0.00 H new ATOM 0 H4' C A 10 4.561 -5.745 2.090 1.00 0.00 H new ATOM 0 H3' C A 10 3.687 -6.155 -0.839 1.00 0.00 H new ATOM 0 H2' C A 10 1.378 -5.924 -0.085 1.00 0.00 H new ATOM 0 HO2' C A 10 0.686 -6.568 1.829 1.00 0.00 H new ATOM 0 H1' C A 10 1.975 -4.202 2.153 1.00 0.00 H new ATOM 0 H41 C A 10 -0.357 -0.595 -2.839 1.00 0.00 H new ATOM 0 H42 C A 10 -1.551 -0.529 -1.539 1.00 0.00 H new ATOM 0 H5 C A 10 1.644 -1.918 -2.702 1.00 0.00 H new ATOM 0 H6 C A 10 2.956 -3.450 -1.322 1.00 0.00 H new ATOM 331 P C A 11 3.286 -8.810 -0.383 1.00 0.00 P ATOM 332 OP1 C A 11 3.783 -10.085 0.181 1.00 0.00 O ATOM 333 OP2 C A 11 3.645 -8.427 -1.766 1.00 0.00 O ATOM 334 O5' C A 11 1.677 -8.796 -0.261 1.00 0.00 O ATOM 335 C5' C A 11 1.027 -9.229 0.941 1.00 0.00 C ATOM 336 C4' C A 11 -0.403 -8.696 1.034 1.00 0.00 C ATOM 337 O4' C A 11 -0.441 -7.286 0.831 1.00 0.00 O ATOM 338 C3' C A 11 -1.284 -9.265 -0.062 1.00 0.00 C ATOM 339 O3' C A 11 -1.861 -10.491 0.407 1.00 0.00 O ATOM 340 C2' C A 11 -2.390 -8.217 -0.190 1.00 0.00 C ATOM 341 O2' C A 11 -3.532 -8.559 0.605 1.00 0.00 O ATOM 342 C1' C A 11 -1.732 -6.926 0.319 1.00 0.00 C ATOM 343 N1 C A 11 -1.624 -5.916 -0.761 1.00 0.00 N ATOM 344 C2 C A 11 -2.626 -4.957 -0.840 1.00 0.00 C ATOM 345 O2 C A 11 -3.550 -4.959 -0.030 1.00 0.00 O ATOM 346 N3 C A 11 -2.553 -4.025 -1.828 1.00 0.00 N ATOM 347 C4 C A 11 -1.544 -4.029 -2.704 1.00 0.00 C ATOM 348 N4 C A 11 -1.514 -3.105 -3.663 1.00 0.00 N ATOM 349 C5 C A 11 -0.508 -5.011 -2.631 1.00 0.00 C ATOM 350 C6 C A 11 -0.585 -5.931 -1.649 1.00 0.00 C ATOM 0 H5' C A 11 1.598 -8.891 1.806 1.00 0.00 H new ATOM 0 H5'' C A 11 1.012 -10.318 0.975 1.00 0.00 H new ATOM 0 H4' C A 11 -0.754 -8.981 2.026 1.00 0.00 H new ATOM 0 H3' C A 11 -0.757 -9.464 -0.995 1.00 0.00 H new ATOM 0 H2' C A 11 -2.763 -8.129 -1.210 1.00 0.00 H new ATOM 0 HO2' C A 11 -4.349 -8.285 0.138 1.00 0.00 H new ATOM 0 H1' C A 11 -2.338 -6.469 1.102 1.00 0.00 H new ATOM 0 H41 C A 11 -0.750 -3.096 -4.339 1.00 0.00 H new ATOM 0 H42 C A 11 -2.255 -2.407 -3.722 1.00 0.00 H new ATOM 0 H5 C A 11 0.308 -5.016 -3.338 1.00 0.00 H new ATOM 0 H6 C A 11 0.181 -6.687 -1.563 1.00 0.00 H new ATOM 362 P U A 12 -2.461 -11.569 -0.632 1.00 0.00 P ATOM 363 OP1 U A 12 -2.862 -12.775 0.129 1.00 0.00 O ATOM 364 OP2 U A 12 -1.519 -11.692 -1.767 1.00 0.00 O ATOM 365 O5' U A 12 -3.797 -10.840 -1.168 1.00 0.00 O ATOM 366 C5' U A 12 -4.988 -10.814 -0.371 1.00 0.00 C ATOM 367 C4' U A 12 -5.987 -9.784 -0.889 1.00 0.00 C ATOM 368 O4' U A 12 -5.425 -8.471 -0.920 1.00 0.00 O ATOM 369 C3' U A 12 -6.385 -10.068 -2.324 1.00 0.00 C ATOM 370 O3' U A 12 -7.379 -11.097 -2.413 1.00 0.00 O ATOM 371 C2' U A 12 -6.929 -8.716 -2.748 1.00 0.00 C ATOM 372 O2' U A 12 -8.284 -8.534 -2.314 1.00 0.00 O ATOM 373 C1' U A 12 -5.979 -7.749 -2.034 1.00 0.00 C ATOM 374 N1 U A 12 -4.916 -7.268 -2.945 1.00 0.00 N ATOM 375 C2 U A 12 -5.021 -5.974 -3.422 1.00 0.00 C ATOM 376 O2 U A 12 -5.958 -5.237 -3.122 1.00 0.00 O ATOM 377 N3 U A 12 -4.013 -5.553 -4.263 1.00 0.00 N ATOM 378 C4 U A 12 -2.922 -6.297 -4.667 1.00 0.00 C ATOM 379 O4 U A 12 -2.081 -5.812 -5.418 1.00 0.00 O ATOM 380 C5 U A 12 -2.888 -7.635 -4.125 1.00 0.00 C ATOM 381 C6 U A 12 -3.866 -8.075 -3.297 1.00 0.00 C ATOM 0 H5' U A 12 -4.730 -10.584 0.663 1.00 0.00 H new ATOM 0 H5'' U A 12 -5.449 -11.802 -0.372 1.00 0.00 H new ATOM 0 H4' U A 12 -6.837 -9.845 -0.209 1.00 0.00 H new ATOM 0 H3' U A 12 -5.572 -10.439 -2.948 1.00 0.00 H new ATOM 0 H2' U A 12 -6.964 -8.579 -3.829 1.00 0.00 H new ATOM 0 HO2' U A 12 -8.658 -9.397 -2.039 1.00 0.00 H new ATOM 0 HO3' U A 12 -7.609 -11.249 -3.353 1.00 0.00 H new ATOM 0 H1' U A 12 -6.511 -6.860 -1.696 1.00 0.00 H new ATOM 0 H3 U A 12 -4.079 -4.600 -4.621 1.00 0.00 H new ATOM 0 H5 U A 12 -2.072 -8.294 -4.383 1.00 0.00 H new ATOM 0 H6 U A 12 -3.817 -9.081 -2.907 1.00 0.00 H new TER 393 U A 12