USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 164 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 -33:sc= 0.289 USER MOD Single : A 1 G O5' : rot 53:sc= -0.28 USER MOD Single : A 2 G O2' : rot -9:sc= -4.25! USER MOD Single : A 3 C O2' : rot -132:sc= 1.19 USER MOD Single : A 4 U O2' : rot 4:sc= -6.35! USER MOD Single : A 5 C O2' : rot 4:sc= -7.43! USER MOD Single : A 6 U O2' : rot -8:sc= 0.468 USER MOD Single : A 7 C O2' : rot 11:sc= 0.429 USER MOD Single : A 8 A O2' : rot 21:sc= 0.189 USER MOD Single : A 9 G O2' : rot -7:sc= 0.569 USER MOD Single : A 10 U O2' : rot 43:sc= 0.142 USER MOD Single : A 11 G O2' : rot -24:sc= 0.294 USER MOD Single : A 12 A O2' : rot -118:sc= 0.892 USER MOD Single : A 13 G O2' : rot -16:sc= 0.22 USER MOD Single : A 14 C O2' : rot 6:sc= -2.5! USER MOD Single : A 15 C O2' : rot -17:sc= 0.196 USER MOD Single : A 15 C O3' : rot 180:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -9.912 3.427 5.807 1.00 0.00 O ATOM 2 C5' G A 1 -11.263 3.392 6.274 1.00 0.00 C ATOM 3 C4' G A 1 -12.176 4.261 5.410 1.00 0.00 C ATOM 4 O4' G A 1 -12.183 5.623 5.865 1.00 0.00 O ATOM 5 C3' G A 1 -11.681 4.308 3.971 1.00 0.00 C ATOM 6 O3' G A 1 -12.401 3.331 3.214 1.00 0.00 O ATOM 7 C2' G A 1 -12.121 5.689 3.514 1.00 0.00 C ATOM 8 O2' G A 1 -13.496 5.696 3.109 1.00 0.00 O ATOM 9 C1' G A 1 -11.911 6.507 4.766 1.00 0.00 C ATOM 10 N9 G A 1 -10.533 7.039 4.826 1.00 0.00 N ATOM 11 C8 G A 1 -9.625 6.981 5.830 1.00 0.00 C ATOM 12 N7 G A 1 -8.482 7.548 5.640 1.00 0.00 N ATOM 13 C5 G A 1 -8.627 8.054 4.346 1.00 0.00 C ATOM 14 C6 G A 1 -7.708 8.790 3.550 1.00 0.00 C ATOM 15 O6 G A 1 -6.568 9.146 3.836 1.00 0.00 O ATOM 16 N1 G A 1 -8.247 9.105 2.309 1.00 0.00 N ATOM 17 C2 G A 1 -9.513 8.758 1.882 1.00 0.00 C ATOM 18 N2 G A 1 -9.849 9.152 0.654 1.00 0.00 N ATOM 19 N3 G A 1 -10.384 8.065 2.624 1.00 0.00 N ATOM 20 C4 G A 1 -9.880 7.746 3.839 1.00 0.00 C ATOM 0 H5' G A 1 -11.301 3.737 7.307 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.625 2.364 6.268 1.00 0.00 H new ATOM 0 H4' G A 1 -13.169 3.817 5.478 1.00 0.00 H new ATOM 0 H3' G A 1 -10.613 4.122 3.861 1.00 0.00 H new ATOM 0 H2' G A 1 -11.577 6.060 2.645 1.00 0.00 H new ATOM 0 HO2' G A 1 -13.724 4.830 2.710 1.00 0.00 H new ATOM 0 HO5' G A 1 -9.615 4.358 5.735 1.00 0.00 H new ATOM 0 H1' G A 1 -12.569 7.376 4.791 1.00 0.00 H new ATOM 0 H8 G A 1 -9.851 6.477 6.758 1.00 0.00 H new ATOM 0 H1 G A 1 -7.661 9.634 1.663 1.00 0.00 H new ATOM 0 H21 G A 1 -10.771 8.927 0.280 1.00 0.00 H new ATOM 0 H22 G A 1 -9.184 9.679 0.088 1.00 0.00 H new ATOM 33 P G A 2 -11.613 2.173 2.420 1.00 0.00 P ATOM 34 OP1 G A 2 -12.460 0.960 2.408 1.00 0.00 O ATOM 35 OP2 G A 2 -10.233 2.106 2.950 1.00 0.00 O ATOM 36 O5' G A 2 -11.547 2.757 0.920 1.00 0.00 O ATOM 37 C5' G A 2 -12.745 2.995 0.180 1.00 0.00 C ATOM 38 C4' G A 2 -12.492 3.925 -1.001 1.00 0.00 C ATOM 39 O4' G A 2 -12.069 5.221 -0.559 1.00 0.00 O ATOM 40 C3' G A 2 -11.373 3.389 -1.883 1.00 0.00 C ATOM 41 O3' G A 2 -11.962 2.702 -2.989 1.00 0.00 O ATOM 42 C2' G A 2 -10.701 4.644 -2.404 1.00 0.00 C ATOM 43 O2' G A 2 -11.336 5.121 -3.596 1.00 0.00 O ATOM 44 C1' G A 2 -10.879 5.622 -1.254 1.00 0.00 C ATOM 45 N9 G A 2 -9.705 5.624 -0.351 1.00 0.00 N ATOM 46 C8 G A 2 -9.591 5.210 0.941 1.00 0.00 C ATOM 47 N7 G A 2 -8.441 5.346 1.511 1.00 0.00 N ATOM 48 C5 G A 2 -7.679 5.920 0.489 1.00 0.00 C ATOM 49 C6 G A 2 -6.313 6.318 0.484 1.00 0.00 C ATOM 50 O6 G A 2 -5.494 6.239 1.396 1.00 0.00 O ATOM 51 N1 G A 2 -5.943 6.851 -0.744 1.00 0.00 N ATOM 52 C2 G A 2 -6.778 6.987 -1.836 1.00 0.00 C ATOM 53 N2 G A 2 -6.237 7.523 -2.930 1.00 0.00 N ATOM 54 N3 G A 2 -8.061 6.616 -1.840 1.00 0.00 N ATOM 55 C4 G A 2 -8.446 6.093 -0.653 1.00 0.00 C ATOM 0 H5' G A 2 -13.499 3.432 0.835 1.00 0.00 H new ATOM 0 H5'' G A 2 -13.147 2.048 -0.180 1.00 0.00 H new ATOM 0 H4' G A 2 -13.432 3.988 -1.549 1.00 0.00 H new ATOM 0 H3' G A 2 -10.693 2.714 -1.363 1.00 0.00 H new ATOM 0 H2' G A 2 -9.658 4.490 -2.682 1.00 0.00 H new ATOM 0 HO2' G A 2 -11.989 4.459 -3.906 1.00 0.00 H new ATOM 0 H1' G A 2 -10.968 6.642 -1.628 1.00 0.00 H new ATOM 0 H8 G A 2 -10.431 4.784 1.469 1.00 0.00 H new ATOM 0 H1 G A 2 -4.979 7.167 -0.848 1.00 0.00 H new ATOM 0 H21 G A 2 -6.803 7.650 -3.769 1.00 0.00 H new ATOM 0 H22 G A 2 -5.257 7.807 -2.928 1.00 0.00 H new ATOM 67 P C A 3 -11.162 1.521 -3.733 1.00 0.00 P ATOM 68 OP1 C A 3 -12.016 0.994 -4.821 1.00 0.00 O ATOM 69 OP2 C A 3 -10.628 0.602 -2.702 1.00 0.00 O ATOM 70 O5' C A 3 -9.922 2.304 -4.399 1.00 0.00 O ATOM 71 C5' C A 3 -10.150 3.312 -5.386 1.00 0.00 C ATOM 72 C4' C A 3 -8.839 3.877 -5.923 1.00 0.00 C ATOM 73 O4' C A 3 -8.177 4.680 -4.953 1.00 0.00 O ATOM 74 C3' C A 3 -7.859 2.771 -6.253 1.00 0.00 C ATOM 75 O3' C A 3 -8.066 2.371 -7.609 1.00 0.00 O ATOM 76 C2' C A 3 -6.508 3.467 -6.157 1.00 0.00 C ATOM 77 O2' C A 3 -6.106 3.995 -7.426 1.00 0.00 O ATOM 78 C1' C A 3 -6.756 4.585 -5.139 1.00 0.00 C ATOM 79 N1 C A 3 -6.079 4.291 -3.864 1.00 0.00 N ATOM 80 C2 C A 3 -4.735 4.608 -3.765 1.00 0.00 C ATOM 81 O2 C A 3 -4.151 5.117 -4.720 1.00 0.00 O ATOM 82 N3 C A 3 -4.095 4.343 -2.594 1.00 0.00 N ATOM 83 C4 C A 3 -4.749 3.788 -1.565 1.00 0.00 C ATOM 84 N4 C A 3 -4.092 3.541 -0.431 1.00 0.00 N ATOM 85 C5 C A 3 -6.138 3.459 -1.667 1.00 0.00 C ATOM 86 C6 C A 3 -6.759 3.727 -2.828 1.00 0.00 C ATOM 0 H5' C A 3 -10.744 4.117 -4.954 1.00 0.00 H new ATOM 0 H5'' C A 3 -10.730 2.893 -6.208 1.00 0.00 H new ATOM 0 H4' C A 3 -9.112 4.457 -6.805 1.00 0.00 H new ATOM 0 H3' C A 3 -7.951 1.896 -5.609 1.00 0.00 H new ATOM 0 H2' C A 3 -5.703 2.795 -5.859 1.00 0.00 H new ATOM 0 HO2' C A 3 -5.176 3.743 -7.605 1.00 0.00 H new ATOM 0 H1' C A 3 -6.353 5.531 -5.501 1.00 0.00 H new ATOM 0 H41 C A 3 -4.579 3.119 0.359 1.00 0.00 H new ATOM 0 H42 C A 3 -3.102 3.774 -0.354 1.00 0.00 H new ATOM 0 H5 C A 3 -6.668 3.011 -0.840 1.00 0.00 H new ATOM 0 H6 C A 3 -7.807 3.493 -2.940 1.00 0.00 H new ATOM 98 P U A 4 -7.817 0.844 -8.058 1.00 0.00 P ATOM 99 OP1 U A 4 -8.457 0.639 -9.376 1.00 0.00 O ATOM 100 OP2 U A 4 -8.169 -0.036 -6.922 1.00 0.00 O ATOM 101 O5' U A 4 -6.221 0.791 -8.259 1.00 0.00 O ATOM 102 C5' U A 4 -5.611 1.464 -9.363 1.00 0.00 C ATOM 103 C4' U A 4 -4.178 1.882 -9.048 1.00 0.00 C ATOM 104 O4' U A 4 -4.050 2.349 -7.710 1.00 0.00 O ATOM 105 C3' U A 4 -3.226 0.706 -9.138 1.00 0.00 C ATOM 106 O3' U A 4 -2.753 0.606 -10.485 1.00 0.00 O ATOM 107 C2' U A 4 -2.064 1.135 -8.253 1.00 0.00 C ATOM 108 O2' U A 4 -1.050 1.799 -9.014 1.00 0.00 O ATOM 109 C1' U A 4 -2.717 2.087 -7.242 1.00 0.00 C ATOM 110 N1 U A 4 -2.732 1.483 -5.895 1.00 0.00 N ATOM 111 C2 U A 4 -1.644 1.733 -5.080 1.00 0.00 C ATOM 112 O2 U A 4 -0.711 2.451 -5.437 1.00 0.00 O ATOM 113 N3 U A 4 -1.665 1.130 -3.837 1.00 0.00 N ATOM 114 C4 U A 4 -2.666 0.309 -3.344 1.00 0.00 C ATOM 115 O4 U A 4 -2.584 -0.180 -2.220 1.00 0.00 O ATOM 116 C5 U A 4 -3.763 0.106 -4.260 1.00 0.00 C ATOM 117 C6 U A 4 -3.766 0.686 -5.485 1.00 0.00 C ATOM 0 H5' U A 4 -6.198 2.345 -9.622 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.616 0.810 -10.235 1.00 0.00 H new ATOM 0 H4' U A 4 -3.940 2.659 -9.774 1.00 0.00 H new ATOM 0 H3' U A 4 -3.674 -0.245 -8.849 1.00 0.00 H new ATOM 0 H2' U A 4 -1.560 0.294 -7.777 1.00 0.00 H new ATOM 0 HO2' U A 4 -1.349 1.896 -9.942 1.00 0.00 H new ATOM 0 H1' U A 4 -2.154 3.017 -7.163 1.00 0.00 H new ATOM 0 H3 U A 4 -0.868 1.306 -3.225 1.00 0.00 H new ATOM 0 H5 U A 4 -4.594 -0.517 -3.965 1.00 0.00 H new ATOM 0 H6 U A 4 -4.600 0.516 -6.150 1.00 0.00 H new ATOM 128 P C A 5 -2.049 -0.747 -11.005 1.00 0.00 P ATOM 129 OP1 C A 5 -1.484 -0.487 -12.348 1.00 0.00 O ATOM 130 OP2 C A 5 -2.995 -1.867 -10.805 1.00 0.00 O ATOM 131 O5' C A 5 -0.825 -0.928 -9.971 1.00 0.00 O ATOM 132 C5' C A 5 0.323 -0.081 -10.059 1.00 0.00 C ATOM 133 C4' C A 5 1.483 -0.598 -9.211 1.00 0.00 C ATOM 134 O4' C A 5 1.336 -0.239 -7.842 1.00 0.00 O ATOM 135 C3' C A 5 1.542 -2.111 -9.200 1.00 0.00 C ATOM 136 O3' C A 5 2.309 -2.552 -10.324 1.00 0.00 O ATOM 137 C2' C A 5 2.336 -2.405 -7.935 1.00 0.00 C ATOM 138 O2' C A 5 3.741 -2.470 -8.203 1.00 0.00 O ATOM 139 C1' C A 5 2.001 -1.217 -7.026 1.00 0.00 C ATOM 140 N1 C A 5 1.150 -1.646 -5.901 1.00 0.00 N ATOM 141 C2 C A 5 1.759 -1.785 -4.664 1.00 0.00 C ATOM 142 O2 C A 5 2.956 -1.537 -4.537 1.00 0.00 O ATOM 143 N3 C A 5 1.000 -2.198 -3.614 1.00 0.00 N ATOM 144 C4 C A 5 -0.303 -2.464 -3.769 1.00 0.00 C ATOM 145 N4 C A 5 -1.016 -2.867 -2.718 1.00 0.00 N ATOM 146 C5 C A 5 -0.937 -2.320 -5.045 1.00 0.00 C ATOM 147 C6 C A 5 -0.176 -1.910 -6.079 1.00 0.00 C ATOM 0 H5' C A 5 0.057 0.925 -9.734 1.00 0.00 H new ATOM 0 H5'' C A 5 0.640 -0.007 -11.099 1.00 0.00 H new ATOM 0 H4' C A 5 2.374 -0.157 -9.659 1.00 0.00 H new ATOM 0 H3' C A 5 0.563 -2.589 -9.237 1.00 0.00 H new ATOM 0 H2' C A 5 2.084 -3.368 -7.491 1.00 0.00 H new ATOM 0 HO2' C A 5 3.905 -2.249 -9.143 1.00 0.00 H new ATOM 0 H1' C A 5 2.905 -0.793 -6.588 1.00 0.00 H new ATOM 0 H41 C A 5 -2.009 -3.072 -2.824 1.00 0.00 H new ATOM 0 H42 C A 5 -0.568 -2.970 -1.807 1.00 0.00 H new ATOM 0 H5 C A 5 -1.988 -2.532 -5.174 1.00 0.00 H new ATOM 0 H6 C A 5 -0.620 -1.790 -7.056 1.00 0.00 H new ATOM 159 P U A 6 2.232 -4.087 -10.808 1.00 0.00 P ATOM 160 OP1 U A 6 3.206 -4.279 -11.905 1.00 0.00 O ATOM 161 OP2 U A 6 0.807 -4.433 -11.017 1.00 0.00 O ATOM 162 O5' U A 6 2.760 -4.891 -9.516 1.00 0.00 O ATOM 163 C5' U A 6 4.107 -4.733 -9.066 1.00 0.00 C ATOM 164 C4' U A 6 4.316 -5.335 -7.678 1.00 0.00 C ATOM 165 O4' U A 6 3.200 -5.092 -6.830 1.00 0.00 O ATOM 166 C3' U A 6 4.432 -6.845 -7.743 1.00 0.00 C ATOM 167 O3' U A 6 5.812 -7.183 -7.913 1.00 0.00 O ATOM 168 C2' U A 6 3.996 -7.294 -6.354 1.00 0.00 C ATOM 169 O2' U A 6 5.124 -7.476 -5.490 1.00 0.00 O ATOM 170 C1' U A 6 3.099 -6.150 -5.866 1.00 0.00 C ATOM 171 N1 U A 6 1.701 -6.602 -5.721 1.00 0.00 N ATOM 172 C2 U A 6 1.394 -7.359 -4.607 1.00 0.00 C ATOM 173 O2 U A 6 2.237 -7.650 -3.762 1.00 0.00 O ATOM 174 N3 U A 6 0.079 -7.771 -4.494 1.00 0.00 N ATOM 175 C4 U A 6 -0.942 -7.496 -5.388 1.00 0.00 C ATOM 176 O4 U A 6 -2.080 -7.914 -5.187 1.00 0.00 O ATOM 177 C5 U A 6 -0.532 -6.699 -6.522 1.00 0.00 C ATOM 178 C6 U A 6 0.752 -6.284 -6.655 1.00 0.00 C ATOM 0 H5' U A 6 4.361 -3.673 -9.044 1.00 0.00 H new ATOM 0 H5'' U A 6 4.785 -5.209 -9.774 1.00 0.00 H new ATOM 0 H4' U A 6 5.225 -4.871 -7.295 1.00 0.00 H new ATOM 0 H3' U A 6 3.852 -7.294 -8.549 1.00 0.00 H new ATOM 0 H2' U A 6 3.482 -8.255 -6.364 1.00 0.00 H new ATOM 0 HO2' U A 6 5.951 -7.404 -6.012 1.00 0.00 H new ATOM 0 H1' U A 6 3.420 -5.803 -4.884 1.00 0.00 H new ATOM 0 H3 U A 6 -0.162 -8.330 -3.675 1.00 0.00 H new ATOM 0 H5 U A 6 -1.259 -6.430 -7.274 1.00 0.00 H new ATOM 0 H6 U A 6 1.031 -5.692 -7.514 1.00 0.00 H new ATOM 189 P C A 7 6.272 -8.151 -9.114 1.00 0.00 P ATOM 190 OP1 C A 7 6.771 -7.308 -10.223 1.00 0.00 O ATOM 191 OP2 C A 7 5.190 -9.130 -9.361 1.00 0.00 O ATOM 192 O5' C A 7 7.524 -8.935 -8.474 1.00 0.00 O ATOM 193 C5' C A 7 8.857 -8.448 -8.655 1.00 0.00 C ATOM 194 C4' C A 7 9.696 -8.631 -7.395 1.00 0.00 C ATOM 195 O4' C A 7 10.596 -7.537 -7.213 1.00 0.00 O ATOM 196 C3' C A 7 8.808 -8.679 -6.148 1.00 0.00 C ATOM 197 O3' C A 7 9.073 -9.904 -5.458 1.00 0.00 O ATOM 198 C2' C A 7 9.292 -7.528 -5.267 1.00 0.00 C ATOM 199 O2' C A 7 9.362 -7.918 -3.891 1.00 0.00 O ATOM 200 C1' C A 7 10.671 -7.221 -5.827 1.00 0.00 C ATOM 201 N1 C A 7 11.027 -5.805 -5.619 1.00 0.00 N ATOM 202 C2 C A 7 11.653 -5.471 -4.429 1.00 0.00 C ATOM 203 O2 C A 7 11.899 -6.343 -3.598 1.00 0.00 O ATOM 204 N3 C A 7 11.981 -4.168 -4.215 1.00 0.00 N ATOM 205 C4 C A 7 11.709 -3.231 -5.132 1.00 0.00 C ATOM 206 N4 C A 7 12.043 -1.962 -4.890 1.00 0.00 N ATOM 207 C5 C A 7 11.064 -3.570 -6.363 1.00 0.00 C ATOM 208 C6 C A 7 10.743 -4.862 -6.564 1.00 0.00 C ATOM 0 H5' C A 7 8.826 -7.392 -8.922 1.00 0.00 H new ATOM 0 H5'' C A 7 9.328 -8.974 -9.486 1.00 0.00 H new ATOM 0 H4' C A 7 10.243 -9.566 -7.521 1.00 0.00 H new ATOM 0 H3' C A 7 7.747 -8.609 -6.388 1.00 0.00 H new ATOM 0 H2' C A 7 8.624 -6.667 -5.284 1.00 0.00 H new ATOM 0 HO2' C A 7 9.250 -8.889 -3.820 1.00 0.00 H new ATOM 0 H1' C A 7 11.447 -7.800 -5.326 1.00 0.00 H new ATOM 0 H41 C A 7 11.840 -1.240 -5.582 1.00 0.00 H new ATOM 0 H42 C A 7 12.501 -1.714 -4.013 1.00 0.00 H new ATOM 0 H5 C A 7 10.842 -2.817 -7.104 1.00 0.00 H new ATOM 0 H6 C A 7 10.256 -5.155 -7.482 1.00 0.00 H new ATOM 220 P A A 8 8.349 -11.272 -5.908 1.00 0.00 P ATOM 221 OP1 A A 8 9.200 -12.406 -5.486 1.00 0.00 O ATOM 222 OP2 A A 8 7.948 -11.137 -7.326 1.00 0.00 O ATOM 223 O5' A A 8 7.015 -11.280 -5.005 1.00 0.00 O ATOM 224 C5' A A 8 7.101 -11.332 -3.579 1.00 0.00 C ATOM 225 C4' A A 8 5.714 -11.314 -2.933 1.00 0.00 C ATOM 226 O4' A A 8 4.730 -10.817 -3.851 1.00 0.00 O ATOM 227 C3' A A 8 5.252 -12.719 -2.551 1.00 0.00 C ATOM 228 O3' A A 8 4.331 -12.608 -1.463 1.00 0.00 O ATOM 229 C2' A A 8 4.479 -13.170 -3.774 1.00 0.00 C ATOM 230 O2' A A 8 3.495 -14.156 -3.441 1.00 0.00 O ATOM 231 C1' A A 8 3.832 -11.871 -4.234 1.00 0.00 C ATOM 232 N9 A A 8 3.609 -11.880 -5.693 1.00 0.00 N ATOM 233 C8 A A 8 4.500 -11.771 -6.708 1.00 0.00 C ATOM 234 N7 A A 8 4.038 -11.810 -7.914 1.00 0.00 N ATOM 235 C5 A A 8 2.666 -11.964 -7.684 1.00 0.00 C ATOM 236 C6 A A 8 1.566 -12.077 -8.542 1.00 0.00 C ATOM 237 N6 A A 8 1.672 -12.052 -9.871 1.00 0.00 N ATOM 238 N1 A A 8 0.352 -12.217 -7.979 1.00 0.00 N ATOM 239 C2 A A 8 0.224 -12.245 -6.650 1.00 0.00 C ATOM 240 N3 A A 8 1.194 -12.147 -5.747 1.00 0.00 N ATOM 241 C4 A A 8 2.399 -12.007 -6.334 1.00 0.00 C ATOM 0 H5' A A 8 7.683 -10.484 -3.217 1.00 0.00 H new ATOM 0 H5'' A A 8 7.632 -12.235 -3.278 1.00 0.00 H new ATOM 0 H4' A A 8 5.803 -10.679 -2.052 1.00 0.00 H new ATOM 0 H3' A A 8 6.065 -13.387 -2.268 1.00 0.00 H new ATOM 0 H2' A A 8 5.099 -13.646 -4.533 1.00 0.00 H new ATOM 0 HO2' A A 8 3.293 -14.106 -2.483 1.00 0.00 H new ATOM 0 H1' A A 8 2.852 -11.734 -3.777 1.00 0.00 H new ATOM 0 H8 A A 8 5.557 -11.656 -6.516 1.00 0.00 H new ATOM 0 H61 A A 8 0.837 -12.138 -10.451 1.00 0.00 H new ATOM 0 H62 A A 8 2.588 -11.946 -10.308 1.00 0.00 H new ATOM 0 H2 A A 8 -0.779 -12.360 -6.267 1.00 0.00 H new ATOM 253 P G A 9 4.859 -12.548 0.056 1.00 0.00 P ATOM 254 OP1 G A 9 6.202 -13.169 0.104 1.00 0.00 O ATOM 255 OP2 G A 9 3.782 -13.048 0.940 1.00 0.00 O ATOM 256 O5' G A 9 5.025 -10.966 0.306 1.00 0.00 O ATOM 257 C5' G A 9 4.297 -10.314 1.351 1.00 0.00 C ATOM 258 C4' G A 9 5.220 -9.911 2.504 1.00 0.00 C ATOM 259 O4' G A 9 6.578 -9.881 2.055 1.00 0.00 O ATOM 260 C3' G A 9 4.894 -8.514 3.049 1.00 0.00 C ATOM 261 O3' G A 9 4.414 -8.672 4.386 1.00 0.00 O ATOM 262 C2' G A 9 6.247 -7.798 3.144 1.00 0.00 C ATOM 263 O2' G A 9 6.759 -7.837 4.481 1.00 0.00 O ATOM 264 C1' G A 9 7.140 -8.574 2.194 1.00 0.00 C ATOM 265 N9 G A 9 7.250 -7.879 0.898 1.00 0.00 N ATOM 266 C8 G A 9 8.294 -7.188 0.389 1.00 0.00 C ATOM 267 N7 G A 9 8.149 -6.642 -0.769 1.00 0.00 N ATOM 268 C5 G A 9 6.840 -7.006 -1.094 1.00 0.00 C ATOM 269 C6 G A 9 6.076 -6.711 -2.254 1.00 0.00 C ATOM 270 O6 G A 9 6.409 -6.059 -3.241 1.00 0.00 O ATOM 271 N1 G A 9 4.806 -7.267 -2.182 1.00 0.00 N ATOM 272 C2 G A 9 4.324 -8.014 -1.127 1.00 0.00 C ATOM 273 N2 G A 9 3.074 -8.462 -1.246 1.00 0.00 N ATOM 274 N3 G A 9 5.037 -8.297 -0.031 1.00 0.00 N ATOM 275 C4 G A 9 6.279 -7.766 -0.077 1.00 0.00 C ATOM 0 H5' G A 9 3.516 -10.978 1.722 1.00 0.00 H new ATOM 0 H5'' G A 9 3.800 -9.429 0.954 1.00 0.00 H new ATOM 0 H4' G A 9 5.072 -10.650 3.291 1.00 0.00 H new ATOM 0 H3' G A 9 4.167 -7.983 2.434 1.00 0.00 H new ATOM 0 H2' G A 9 6.180 -6.741 2.886 1.00 0.00 H new ATOM 0 HO2' G A 9 6.082 -8.217 5.080 1.00 0.00 H new ATOM 0 H1' G A 9 8.154 -8.651 2.585 1.00 0.00 H new ATOM 0 H8 G A 9 9.221 -7.096 0.936 1.00 0.00 H new ATOM 0 H1 G A 9 4.180 -7.111 -2.972 1.00 0.00 H new ATOM 0 H21 G A 9 2.659 -9.020 -0.500 1.00 0.00 H new ATOM 0 H22 G A 9 2.533 -8.246 -2.083 1.00 0.00 H new ATOM 287 P U A 10 2.876 -9.068 4.656 1.00 0.00 P ATOM 288 OP1 U A 10 2.852 -10.221 5.585 1.00 0.00 O ATOM 289 OP2 U A 10 2.187 -9.158 3.350 1.00 0.00 O ATOM 290 O5' U A 10 2.312 -7.779 5.438 1.00 0.00 O ATOM 291 C5' U A 10 2.737 -7.493 6.772 1.00 0.00 C ATOM 292 C4' U A 10 2.684 -5.996 7.067 1.00 0.00 C ATOM 293 O4' U A 10 1.337 -5.559 7.277 1.00 0.00 O ATOM 294 C3' U A 10 3.453 -5.651 8.339 1.00 0.00 C ATOM 295 O3' U A 10 4.003 -4.339 8.185 1.00 0.00 O ATOM 296 C2' U A 10 2.371 -5.586 9.406 1.00 0.00 C ATOM 297 O2' U A 10 2.722 -4.675 10.455 1.00 0.00 O ATOM 298 C1' U A 10 1.165 -5.092 8.622 1.00 0.00 C ATOM 299 N1 U A 10 -0.082 -5.616 9.198 1.00 0.00 N ATOM 300 C2 U A 10 -0.816 -4.775 10.010 1.00 0.00 C ATOM 301 O2 U A 10 -0.461 -3.622 10.245 1.00 0.00 O ATOM 302 N3 U A 10 -1.976 -5.305 10.543 1.00 0.00 N ATOM 303 C4 U A 10 -2.458 -6.587 10.334 1.00 0.00 C ATOM 304 O4 U A 10 -3.504 -6.957 10.862 1.00 0.00 O ATOM 305 C5 U A 10 -1.625 -7.394 9.470 1.00 0.00 C ATOM 306 C6 U A 10 -0.486 -6.895 8.939 1.00 0.00 C ATOM 0 H5' U A 10 3.754 -7.858 6.917 1.00 0.00 H new ATOM 0 H5'' U A 10 2.103 -8.027 7.480 1.00 0.00 H new ATOM 0 H4' U A 10 3.126 -5.502 6.202 1.00 0.00 H new ATOM 0 H3' U A 10 4.252 -6.356 8.569 1.00 0.00 H new ATOM 0 H2' U A 10 2.202 -6.538 9.909 1.00 0.00 H new ATOM 0 HO2' U A 10 3.106 -3.861 10.067 1.00 0.00 H new ATOM 0 H1' U A 10 1.095 -4.005 8.655 1.00 0.00 H new ATOM 0 H3 U A 10 -2.528 -4.696 11.146 1.00 0.00 H new ATOM 0 H5 U A 10 -1.917 -8.409 9.246 1.00 0.00 H new ATOM 0 H6 U A 10 0.117 -7.520 8.297 1.00 0.00 H new ATOM 317 P G A 11 5.503 -4.025 8.679 1.00 0.00 P ATOM 318 OP1 G A 11 6.126 -5.301 9.098 1.00 0.00 O ATOM 319 OP2 G A 11 5.452 -2.885 9.622 1.00 0.00 O ATOM 320 O5' G A 11 6.224 -3.531 7.326 1.00 0.00 O ATOM 321 C5' G A 11 5.477 -3.395 6.115 1.00 0.00 C ATOM 322 C4' G A 11 6.385 -3.061 4.932 1.00 0.00 C ATOM 323 O4' G A 11 6.235 -4.021 3.875 1.00 0.00 O ATOM 324 C3' G A 11 6.036 -1.710 4.315 1.00 0.00 C ATOM 325 O3' G A 11 6.886 -0.714 4.889 1.00 0.00 O ATOM 326 C2' G A 11 6.426 -1.898 2.863 1.00 0.00 C ATOM 327 O2' G A 11 7.831 -1.697 2.665 1.00 0.00 O ATOM 328 C1' G A 11 6.029 -3.346 2.625 1.00 0.00 C ATOM 329 N9 G A 11 4.619 -3.444 2.199 1.00 0.00 N ATOM 330 C8 G A 11 3.531 -3.849 2.900 1.00 0.00 C ATOM 331 N7 G A 11 2.391 -3.840 2.295 1.00 0.00 N ATOM 332 C5 G A 11 2.744 -3.372 1.026 1.00 0.00 C ATOM 333 C6 G A 11 1.930 -3.135 -0.114 1.00 0.00 C ATOM 334 O6 G A 11 0.718 -3.295 -0.231 1.00 0.00 O ATOM 335 N1 G A 11 2.678 -2.667 -1.187 1.00 0.00 N ATOM 336 C2 G A 11 4.042 -2.449 -1.169 1.00 0.00 C ATOM 337 N2 G A 11 4.580 -1.995 -2.301 1.00 0.00 N ATOM 338 N3 G A 11 4.816 -2.669 -0.100 1.00 0.00 N ATOM 339 C4 G A 11 4.108 -3.126 0.958 1.00 0.00 C ATOM 0 H5' G A 11 4.729 -2.611 6.234 1.00 0.00 H new ATOM 0 H5'' G A 11 4.939 -4.321 5.912 1.00 0.00 H new ATOM 0 H4' G A 11 7.399 -3.059 5.333 1.00 0.00 H new ATOM 0 H3' G A 11 4.998 -1.410 4.461 1.00 0.00 H new ATOM 0 H2' G A 11 5.952 -1.191 2.182 1.00 0.00 H new ATOM 0 HO2' G A 11 8.183 -1.125 3.379 1.00 0.00 H new ATOM 0 H1' G A 11 6.623 -3.794 1.828 1.00 0.00 H new ATOM 0 H8 G A 11 3.616 -4.168 3.928 1.00 0.00 H new ATOM 0 H1 G A 11 2.181 -2.469 -2.056 1.00 0.00 H new ATOM 0 H21 G A 11 5.582 -1.814 -2.352 1.00 0.00 H new ATOM 0 H22 G A 11 3.989 -1.829 -3.116 1.00 0.00 H new ATOM 351 P A A 12 6.310 0.752 5.228 1.00 0.00 P ATOM 352 OP1 A A 12 7.349 1.497 5.972 1.00 0.00 O ATOM 353 OP2 A A 12 4.957 0.597 5.807 1.00 0.00 O ATOM 354 O5' A A 12 6.161 1.417 3.769 1.00 0.00 O ATOM 355 C5' A A 12 7.322 1.835 3.047 1.00 0.00 C ATOM 356 C4' A A 12 6.973 2.331 1.647 1.00 0.00 C ATOM 357 O4' A A 12 6.366 1.311 0.860 1.00 0.00 O ATOM 358 C3' A A 12 5.939 3.439 1.687 1.00 0.00 C ATOM 359 O3' A A 12 6.610 4.693 1.847 1.00 0.00 O ATOM 360 C2' A A 12 5.350 3.390 0.280 1.00 0.00 C ATOM 361 O2' A A 12 6.069 4.246 -0.616 1.00 0.00 O ATOM 362 C1' A A 12 5.503 1.921 -0.114 1.00 0.00 C ATOM 363 N9 A A 12 4.181 1.274 -0.153 1.00 0.00 N ATOM 364 C8 A A 12 3.623 0.377 0.697 1.00 0.00 C ATOM 365 N7 A A 12 2.420 -0.017 0.443 1.00 0.00 N ATOM 366 C5 A A 12 2.130 0.703 -0.721 1.00 0.00 C ATOM 367 C6 A A 12 1.000 0.762 -1.541 1.00 0.00 C ATOM 368 N6 A A 12 -0.104 0.055 -1.307 1.00 0.00 N ATOM 369 N1 A A 12 1.050 1.576 -2.610 1.00 0.00 N ATOM 370 C2 A A 12 2.147 2.293 -2.862 1.00 0.00 C ATOM 371 N3 A A 12 3.271 2.313 -2.153 1.00 0.00 N ATOM 372 C4 A A 12 3.196 1.489 -1.089 1.00 0.00 C ATOM 0 H5' A A 12 8.023 1.003 2.973 1.00 0.00 H new ATOM 0 H5'' A A 12 7.826 2.629 3.598 1.00 0.00 H new ATOM 0 H4' A A 12 7.921 2.666 1.225 1.00 0.00 H new ATOM 0 H3' A A 12 5.207 3.331 2.487 1.00 0.00 H new ATOM 0 H2' A A 12 4.317 3.736 0.239 1.00 0.00 H new ATOM 0 HO2' A A 12 5.469 4.943 -0.954 1.00 0.00 H new ATOM 0 H1' A A 12 5.938 1.815 -1.108 1.00 0.00 H new ATOM 0 H8 A A 12 4.165 0.006 1.555 1.00 0.00 H new ATOM 0 H61 A A 12 -0.903 0.133 -1.936 1.00 0.00 H new ATOM 0 H62 A A 12 -0.151 -0.565 -0.498 1.00 0.00 H new ATOM 0 H2 A A 12 2.118 2.926 -3.737 1.00 0.00 H new ATOM 384 P G A 13 5.782 6.008 2.274 1.00 0.00 P ATOM 385 OP1 G A 13 6.744 7.027 2.749 1.00 0.00 O ATOM 386 OP2 G A 13 4.664 5.586 3.149 1.00 0.00 O ATOM 387 O5' G A 13 5.163 6.515 0.874 1.00 0.00 O ATOM 388 C5' G A 13 5.865 7.470 0.074 1.00 0.00 C ATOM 389 C4' G A 13 5.201 7.672 -1.288 1.00 0.00 C ATOM 390 O4' G A 13 4.739 6.430 -1.835 1.00 0.00 O ATOM 391 C3' G A 13 3.967 8.555 -1.182 1.00 0.00 C ATOM 392 O3' G A 13 4.349 9.909 -1.432 1.00 0.00 O ATOM 393 C2' G A 13 3.121 8.071 -2.343 1.00 0.00 C ATOM 394 O2' G A 13 3.540 8.654 -3.583 1.00 0.00 O ATOM 395 C1' G A 13 3.389 6.578 -2.306 1.00 0.00 C ATOM 396 N9 G A 13 2.434 5.915 -1.404 1.00 0.00 N ATOM 397 C8 G A 13 2.598 5.514 -0.121 1.00 0.00 C ATOM 398 N7 G A 13 1.583 4.982 0.475 1.00 0.00 N ATOM 399 C5 G A 13 0.609 5.027 -0.528 1.00 0.00 C ATOM 400 C6 G A 13 -0.744 4.590 -0.505 1.00 0.00 C ATOM 401 O6 G A 13 -1.361 4.069 0.421 1.00 0.00 O ATOM 402 N1 G A 13 -1.375 4.821 -1.722 1.00 0.00 N ATOM 403 C2 G A 13 -0.783 5.397 -2.827 1.00 0.00 C ATOM 404 N2 G A 13 -1.556 5.533 -3.906 1.00 0.00 N ATOM 405 N3 G A 13 0.489 5.811 -2.858 1.00 0.00 N ATOM 406 C4 G A 13 1.123 5.597 -1.682 1.00 0.00 C ATOM 0 H5' G A 13 6.893 7.138 -0.069 1.00 0.00 H new ATOM 0 H5'' G A 13 5.909 8.423 0.601 1.00 0.00 H new ATOM 0 H4' G A 13 5.963 8.128 -1.920 1.00 0.00 H new ATOM 0 H3' G A 13 3.468 8.509 -0.214 1.00 0.00 H new ATOM 0 H2' G A 13 2.066 8.336 -2.266 1.00 0.00 H new ATOM 0 HO2' G A 13 4.117 9.426 -3.403 1.00 0.00 H new ATOM 0 H1' G A 13 3.268 6.117 -3.286 1.00 0.00 H new ATOM 0 H8 G A 13 3.544 5.635 0.386 1.00 0.00 H new ATOM 0 H1 G A 13 -2.353 4.543 -1.804 1.00 0.00 H new ATOM 0 H21 G A 13 -1.177 5.952 -4.755 1.00 0.00 H new ATOM 0 H22 G A 13 -2.526 5.218 -3.881 1.00 0.00 H new ATOM 418 P C A 14 3.599 11.119 -0.679 1.00 0.00 P ATOM 419 OP1 C A 14 4.270 12.384 -1.051 1.00 0.00 O ATOM 420 OP2 C A 14 3.450 10.755 0.748 1.00 0.00 O ATOM 421 O5' C A 14 2.139 11.104 -1.358 1.00 0.00 O ATOM 422 C5' C A 14 1.975 11.485 -2.725 1.00 0.00 C ATOM 423 C4' C A 14 0.724 10.864 -3.341 1.00 0.00 C ATOM 424 O4' C A 14 0.525 9.526 -2.898 1.00 0.00 O ATOM 425 C3' C A 14 -0.529 11.598 -2.909 1.00 0.00 C ATOM 426 O3' C A 14 -0.758 12.676 -3.822 1.00 0.00 O ATOM 427 C2' C A 14 -1.621 10.557 -3.109 1.00 0.00 C ATOM 428 O2' C A 14 -2.189 10.641 -4.421 1.00 0.00 O ATOM 429 C1' C A 14 -0.881 9.228 -2.905 1.00 0.00 C ATOM 430 N1 C A 14 -1.300 8.586 -1.644 1.00 0.00 N ATOM 431 C2 C A 14 -2.600 8.109 -1.579 1.00 0.00 C ATOM 432 O2 C A 14 -3.343 8.217 -2.551 1.00 0.00 O ATOM 433 N3 C A 14 -3.017 7.525 -0.424 1.00 0.00 N ATOM 434 C4 C A 14 -2.194 7.415 0.628 1.00 0.00 C ATOM 435 N4 C A 14 -2.635 6.841 1.746 1.00 0.00 N ATOM 436 C5 C A 14 -0.852 7.905 0.566 1.00 0.00 C ATOM 437 C6 C A 14 -0.446 8.481 -0.584 1.00 0.00 C ATOM 0 H5' C A 14 2.852 11.178 -3.295 1.00 0.00 H new ATOM 0 H5'' C A 14 1.914 12.571 -2.795 1.00 0.00 H new ATOM 0 H4' C A 14 0.883 10.916 -4.418 1.00 0.00 H new ATOM 0 H3' C A 14 -0.480 11.997 -1.896 1.00 0.00 H new ATOM 0 H2' C A 14 -2.461 10.686 -2.427 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.693 11.300 -4.951 1.00 0.00 H new ATOM 0 H1' C A 14 -1.115 8.525 -3.705 1.00 0.00 H new ATOM 0 H41 C A 14 -2.016 6.753 2.552 1.00 0.00 H new ATOM 0 H42 C A 14 -3.591 6.490 1.796 1.00 0.00 H new ATOM 0 H5 C A 14 -0.186 7.817 1.412 1.00 0.00 H new ATOM 0 H6 C A 14 0.561 8.862 -0.667 1.00 0.00 H new ATOM 449 P C A 15 -1.798 13.849 -3.451 1.00 0.00 P ATOM 450 OP1 C A 15 -1.702 14.898 -4.492 1.00 0.00 O ATOM 451 OP2 C A 15 -1.611 14.202 -2.027 1.00 0.00 O ATOM 452 O5' C A 15 -3.220 13.116 -3.608 1.00 0.00 O ATOM 453 C5' C A 15 -3.784 12.901 -4.903 1.00 0.00 C ATOM 454 C4' C A 15 -5.298 12.733 -4.836 1.00 0.00 C ATOM 455 O4' C A 15 -5.650 11.513 -4.177 1.00 0.00 O ATOM 456 C3' C A 15 -5.933 13.859 -4.031 1.00 0.00 C ATOM 457 O3' C A 15 -6.314 14.952 -4.872 1.00 0.00 O ATOM 458 C2' C A 15 -7.145 13.184 -3.412 1.00 0.00 C ATOM 459 O2' C A 15 -8.276 13.231 -4.291 1.00 0.00 O ATOM 460 C1' C A 15 -6.665 11.755 -3.196 1.00 0.00 C ATOM 461 N1 C A 15 -6.133 11.573 -1.831 1.00 0.00 N ATOM 462 C2 C A 15 -6.946 10.924 -0.915 1.00 0.00 C ATOM 463 O2 C A 15 -8.061 10.533 -1.250 1.00 0.00 O ATOM 464 N3 C A 15 -6.474 10.738 0.349 1.00 0.00 N ATOM 465 C4 C A 15 -5.256 11.170 0.698 1.00 0.00 C ATOM 466 N4 C A 15 -4.824 10.971 1.943 1.00 0.00 N ATOM 467 C5 C A 15 -4.415 11.841 -0.244 1.00 0.00 C ATOM 468 C6 C A 15 -4.889 12.021 -1.491 1.00 0.00 C ATOM 0 H5' C A 15 -3.338 12.013 -5.351 1.00 0.00 H new ATOM 0 H5'' C A 15 -3.539 13.742 -5.551 1.00 0.00 H new ATOM 0 H4' C A 15 -5.657 12.737 -5.865 1.00 0.00 H new ATOM 0 H3' C A 15 -5.260 14.296 -3.293 1.00 0.00 H new ATOM 0 H2' C A 15 -7.483 13.666 -2.494 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.128 13.914 -4.978 1.00 0.00 H new ATOM 0 HO3' C A 15 -6.720 15.658 -4.327 1.00 0.00 H new ATOM 0 H1' C A 15 -7.489 11.049 -3.303 1.00 0.00 H new ATOM 0 H41 C A 15 -3.898 11.296 2.219 1.00 0.00 H new ATOM 0 H42 C A 15 -5.420 10.494 2.619 1.00 0.00 H new ATOM 0 H5 C A 15 -3.433 12.192 0.036 1.00 0.00 H new ATOM 0 H6 C A 15 -4.280 12.524 -2.228 1.00 0.00 H new TER 481 C A 15