USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -15:sc= 0.363 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -7:sc= -0.851 USER MOD Single : A 3 G O2' : rot -17:sc= 0.29 USER MOD Single : A 4 U O2' : rot -29:sc= 0.278 USER MOD Single : A 5 C O2' : rot -23:sc= 0.263 USER MOD Single : A 6 U O2' : rot -20:sc= -0.711 USER MOD Single : A 7 U O2' : rot -161:sc= -1.98! USER MOD Single : A 8 C O2' : rot 34:sc= 0.221 USER MOD Single : A 9 G O2' : rot -18:sc= 0.296 USER MOD Single : A 10 G O2' : rot -15:sc= 0.136 USER MOD Single : A 11 G O2' : rot -29:sc= 0.265 USER MOD Single : A 12 U O2' : rot -15:sc= 0.262 USER MOD Single : A 13 C O2' : rot -16:sc= 0.297 USER MOD Single : A 14 C O2' : rot -26:sc= 0.106 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.562 -6.152 4.722 1.00 0.00 O ATOM 2 C5' G A 1 9.905 -5.377 3.714 1.00 0.00 C ATOM 3 C4' G A 1 9.673 -6.184 2.440 1.00 0.00 C ATOM 4 O4' G A 1 8.752 -7.239 2.708 1.00 0.00 O ATOM 5 C3' G A 1 9.020 -5.420 1.310 1.00 0.00 C ATOM 6 O3' G A 1 10.065 -4.805 0.543 1.00 0.00 O ATOM 7 C2' G A 1 8.415 -6.531 0.462 1.00 0.00 C ATOM 8 O2' G A 1 9.413 -7.106 -0.387 1.00 0.00 O ATOM 9 C1' G A 1 7.977 -7.537 1.533 1.00 0.00 C ATOM 10 N9 G A 1 6.569 -7.354 1.901 1.00 0.00 N ATOM 11 C8 G A 1 6.066 -6.487 2.826 1.00 0.00 C ATOM 12 N7 G A 1 4.770 -6.534 2.942 1.00 0.00 N ATOM 13 C5 G A 1 4.389 -7.505 2.020 1.00 0.00 C ATOM 14 C6 G A 1 3.096 -7.997 1.692 1.00 0.00 C ATOM 15 O6 G A 1 2.010 -7.666 2.159 1.00 0.00 O ATOM 16 N1 G A 1 3.157 -8.970 0.716 1.00 0.00 N ATOM 17 C2 G A 1 4.307 -9.421 0.120 1.00 0.00 C ATOM 18 N2 G A 1 4.177 -10.365 -0.801 1.00 0.00 N ATOM 19 N3 G A 1 5.526 -8.974 0.416 1.00 0.00 N ATOM 20 C4 G A 1 5.489 -8.017 1.374 1.00 0.00 C ATOM 0 H5' G A 1 10.506 -4.497 3.483 1.00 0.00 H new ATOM 0 H5'' G A 1 8.949 -5.019 4.096 1.00 0.00 H new ATOM 0 H4' G A 1 10.672 -6.502 2.142 1.00 0.00 H new ATOM 0 H3' G A 1 8.304 -4.664 1.633 1.00 0.00 H new ATOM 0 H2' G A 1 7.610 -6.204 -0.196 1.00 0.00 H new ATOM 0 HO2' G A 1 10.196 -6.517 -0.417 1.00 0.00 H new ATOM 0 HO5' G A 1 10.695 -5.602 5.522 1.00 0.00 H new ATOM 0 H1' G A 1 8.116 -8.550 1.155 1.00 0.00 H new ATOM 0 H8 G A 1 6.686 -5.822 3.409 1.00 0.00 H new ATOM 0 H1 G A 1 2.277 -9.387 0.414 1.00 0.00 H new ATOM 0 H21 G A 1 5.002 -10.734 -1.273 1.00 0.00 H new ATOM 0 H22 G A 1 3.252 -10.723 -1.037 1.00 0.00 H new ATOM 33 P G A 2 9.914 -3.286 0.023 1.00 0.00 P ATOM 34 OP1 G A 2 11.235 -2.832 -0.466 1.00 0.00 O ATOM 35 OP2 G A 2 9.208 -2.508 1.066 1.00 0.00 O ATOM 36 O5' G A 2 8.928 -3.442 -1.243 1.00 0.00 O ATOM 37 C5' G A 2 9.445 -3.795 -2.533 1.00 0.00 C ATOM 38 C4' G A 2 8.342 -4.254 -3.485 1.00 0.00 C ATOM 39 O4' G A 2 7.650 -5.371 -2.915 1.00 0.00 O ATOM 40 C3' G A 2 7.236 -3.244 -3.735 1.00 0.00 C ATOM 41 O3' G A 2 7.631 -2.417 -4.838 1.00 0.00 O ATOM 42 C2' G A 2 6.105 -4.138 -4.211 1.00 0.00 C ATOM 43 O2' G A 2 6.321 -4.567 -5.561 1.00 0.00 O ATOM 44 C1' G A 2 6.247 -5.310 -3.242 1.00 0.00 C ATOM 45 N9 G A 2 5.504 -5.080 -1.996 1.00 0.00 N ATOM 46 C8 G A 2 5.957 -4.501 -0.844 1.00 0.00 C ATOM 47 N7 G A 2 5.052 -4.419 0.093 1.00 0.00 N ATOM 48 C5 G A 2 3.919 -4.984 -0.489 1.00 0.00 C ATOM 49 C6 G A 2 2.615 -5.177 0.044 1.00 0.00 C ATOM 50 O6 G A 2 2.189 -4.879 1.157 1.00 0.00 O ATOM 51 N1 G A 2 1.776 -5.780 -0.873 1.00 0.00 N ATOM 52 C2 G A 2 2.135 -6.155 -2.143 1.00 0.00 C ATOM 53 N2 G A 2 1.198 -6.714 -2.896 1.00 0.00 N ATOM 54 N3 G A 2 3.349 -5.984 -2.656 1.00 0.00 N ATOM 55 C4 G A 2 4.189 -5.393 -1.772 1.00 0.00 C ATOM 0 H5' G A 2 10.183 -4.590 -2.423 1.00 0.00 H new ATOM 0 H5'' G A 2 9.962 -2.937 -2.964 1.00 0.00 H new ATOM 0 H4' G A 2 8.873 -4.456 -4.415 1.00 0.00 H new ATOM 0 H3' G A 2 6.995 -2.613 -2.880 1.00 0.00 H new ATOM 0 H2' G A 2 5.124 -3.664 -4.217 1.00 0.00 H new ATOM 0 HO2' G A 2 7.102 -4.104 -5.930 1.00 0.00 H new ATOM 0 H1' G A 2 5.860 -6.222 -3.698 1.00 0.00 H new ATOM 0 H8 G A 2 6.969 -4.145 -0.720 1.00 0.00 H new ATOM 0 H1 G A 2 0.815 -5.960 -0.583 1.00 0.00 H new ATOM 0 H21 G A 2 1.417 -7.009 -3.847 1.00 0.00 H new ATOM 0 H22 G A 2 0.258 -6.849 -2.524 1.00 0.00 H new ATOM 67 P G A 3 6.927 -0.988 -5.080 1.00 0.00 P ATOM 68 OP1 G A 3 7.550 -0.359 -6.267 1.00 0.00 O ATOM 69 OP2 G A 3 6.899 -0.257 -3.792 1.00 0.00 O ATOM 70 O5' G A 3 5.411 -1.395 -5.461 1.00 0.00 O ATOM 71 C5' G A 3 5.120 -2.031 -6.712 1.00 0.00 C ATOM 72 C4' G A 3 3.697 -2.587 -6.756 1.00 0.00 C ATOM 73 O4' G A 3 3.494 -3.496 -5.668 1.00 0.00 O ATOM 74 C3' G A 3 2.594 -1.571 -6.555 1.00 0.00 C ATOM 75 O3' G A 3 2.307 -0.975 -7.827 1.00 0.00 O ATOM 76 C2' G A 3 1.423 -2.469 -6.194 1.00 0.00 C ATOM 77 O2' G A 3 0.904 -3.115 -7.361 1.00 0.00 O ATOM 78 C1' G A 3 2.106 -3.486 -5.273 1.00 0.00 C ATOM 79 N9 G A 3 2.008 -3.106 -3.850 1.00 0.00 N ATOM 80 C8 G A 3 2.964 -2.551 -3.038 1.00 0.00 C ATOM 81 N7 G A 3 2.553 -2.335 -1.819 1.00 0.00 N ATOM 82 C5 G A 3 1.235 -2.777 -1.825 1.00 0.00 C ATOM 83 C6 G A 3 0.270 -2.796 -0.780 1.00 0.00 C ATOM 84 O6 G A 3 0.394 -2.422 0.381 1.00 0.00 O ATOM 85 N1 G A 3 -0.934 -3.319 -1.208 1.00 0.00 N ATOM 86 C2 G A 3 -1.190 -3.773 -2.476 1.00 0.00 C ATOM 87 N2 G A 3 -2.408 -4.238 -2.714 1.00 0.00 N ATOM 88 N3 G A 3 -0.299 -3.763 -3.464 1.00 0.00 N ATOM 89 C4 G A 3 0.891 -3.251 -3.066 1.00 0.00 C ATOM 0 H5' G A 3 5.830 -2.840 -6.881 1.00 0.00 H new ATOM 0 H5'' G A 3 5.254 -1.315 -7.522 1.00 0.00 H new ATOM 0 H4' G A 3 3.632 -3.021 -7.754 1.00 0.00 H new ATOM 0 H3' G A 3 2.818 -0.787 -5.831 1.00 0.00 H new ATOM 0 H2' G A 3 0.576 -1.949 -5.746 1.00 0.00 H new ATOM 0 HO2' G A 3 1.218 -2.645 -8.162 1.00 0.00 H new ATOM 0 H1' G A 3 1.627 -4.460 -5.368 1.00 0.00 H new ATOM 0 H8 G A 3 3.962 -2.315 -3.376 1.00 0.00 H new ATOM 0 H1 G A 3 -1.692 -3.372 -0.528 1.00 0.00 H new ATOM 0 H21 G A 3 -2.648 -4.587 -3.642 1.00 0.00 H new ATOM 0 H22 G A 3 -3.105 -4.247 -1.969 1.00 0.00 H new ATOM 101 P U A 4 1.766 0.540 -7.920 1.00 0.00 P ATOM 102 OP1 U A 4 1.333 0.795 -9.312 1.00 0.00 O ATOM 103 OP2 U A 4 2.765 1.428 -7.283 1.00 0.00 O ATOM 104 O5' U A 4 0.457 0.506 -6.979 1.00 0.00 O ATOM 105 C5' U A 4 -0.776 -0.050 -7.454 1.00 0.00 C ATOM 106 C4' U A 4 -1.827 -0.118 -6.350 1.00 0.00 C ATOM 107 O4' U A 4 -1.358 -0.970 -5.296 1.00 0.00 O ATOM 108 C3' U A 4 -2.103 1.197 -5.647 1.00 0.00 C ATOM 109 O3' U A 4 -3.134 1.869 -6.382 1.00 0.00 O ATOM 110 C2' U A 4 -2.697 0.728 -4.332 1.00 0.00 C ATOM 111 O2' U A 4 -4.054 0.310 -4.506 1.00 0.00 O ATOM 112 C1' U A 4 -1.797 -0.469 -4.018 1.00 0.00 C ATOM 113 N1 U A 4 -0.612 -0.088 -3.222 1.00 0.00 N ATOM 114 C2 U A 4 -0.754 -0.027 -1.850 1.00 0.00 C ATOM 115 O2 U A 4 -1.816 -0.273 -1.284 1.00 0.00 O ATOM 116 N3 U A 4 0.369 0.332 -1.139 1.00 0.00 N ATOM 117 C4 U A 4 1.605 0.632 -1.670 1.00 0.00 C ATOM 118 O4 U A 4 2.527 0.949 -0.929 1.00 0.00 O ATOM 119 C5 U A 4 1.682 0.547 -3.109 1.00 0.00 C ATOM 120 C6 U A 4 0.587 0.196 -3.829 1.00 0.00 C ATOM 0 H5' U A 4 -0.596 -1.051 -7.847 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.154 0.554 -8.279 1.00 0.00 H new ATOM 0 H4' U A 4 -2.726 -0.461 -6.862 1.00 0.00 H new ATOM 0 H3' U A 4 -1.240 1.855 -5.545 1.00 0.00 H new ATOM 0 H2' U A 4 -2.728 1.490 -3.553 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.457 0.809 -5.247 1.00 0.00 H new ATOM 0 H1' U A 4 -2.347 -1.204 -3.431 1.00 0.00 H new ATOM 0 H3 U A 4 0.278 0.380 -0.124 1.00 0.00 H new ATOM 0 H5 U A 4 2.612 0.763 -3.613 1.00 0.00 H new ATOM 0 H6 U A 4 0.660 0.139 -4.905 1.00 0.00 H new ATOM 131 P C A 5 -2.906 3.367 -6.933 1.00 0.00 P ATOM 132 OP1 C A 5 -3.771 3.561 -8.119 1.00 0.00 O ATOM 133 OP2 C A 5 -1.450 3.607 -7.036 1.00 0.00 O ATOM 134 O5' C A 5 -3.481 4.273 -5.731 1.00 0.00 O ATOM 135 C5' C A 5 -4.884 4.549 -5.626 1.00 0.00 C ATOM 136 C4' C A 5 -5.274 4.993 -4.219 1.00 0.00 C ATOM 137 O4' C A 5 -4.905 3.976 -3.278 1.00 0.00 O ATOM 138 C3' C A 5 -4.553 6.223 -3.706 1.00 0.00 C ATOM 139 O3' C A 5 -5.300 7.374 -4.128 1.00 0.00 O ATOM 140 C2' C A 5 -4.738 6.082 -2.203 1.00 0.00 C ATOM 141 O2' C A 5 -6.068 6.446 -1.819 1.00 0.00 O ATOM 142 C1' C A 5 -4.518 4.577 -2.024 1.00 0.00 C ATOM 143 N1 C A 5 -3.105 4.238 -1.747 1.00 0.00 N ATOM 144 C2 C A 5 -2.692 4.246 -0.423 1.00 0.00 C ATOM 145 O2 C A 5 -3.478 4.535 0.475 1.00 0.00 O ATOM 146 N3 C A 5 -1.401 3.937 -0.140 1.00 0.00 N ATOM 147 C4 C A 5 -0.541 3.630 -1.116 1.00 0.00 C ATOM 148 N4 C A 5 0.710 3.347 -0.768 1.00 0.00 N ATOM 149 C5 C A 5 -0.955 3.619 -2.485 1.00 0.00 C ATOM 150 C6 C A 5 -2.238 3.927 -2.754 1.00 0.00 C ATOM 0 H5' C A 5 -5.450 3.657 -5.895 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.155 5.327 -6.340 1.00 0.00 H new ATOM 0 H4' C A 5 -6.342 5.197 -4.298 1.00 0.00 H new ATOM 0 H3' C A 5 -3.518 6.318 -4.035 1.00 0.00 H new ATOM 0 H2' C A 5 -4.080 6.712 -1.605 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.453 7.041 -2.496 1.00 0.00 H new ATOM 0 H1' C A 5 -5.097 4.218 -1.173 1.00 0.00 H new ATOM 0 H41 C A 5 1.397 3.108 -1.483 1.00 0.00 H new ATOM 0 H42 C A 5 0.983 3.369 0.214 1.00 0.00 H new ATOM 0 H5 C A 5 -0.262 3.372 -3.276 1.00 0.00 H new ATOM 0 H6 C A 5 -2.584 3.928 -3.777 1.00 0.00 H new ATOM 162 P U A 6 -4.580 8.806 -4.304 1.00 0.00 P ATOM 163 OP1 U A 6 -5.598 9.788 -4.739 1.00 0.00 O ATOM 164 OP2 U A 6 -3.350 8.612 -5.106 1.00 0.00 O ATOM 165 O5' U A 6 -4.139 9.166 -2.795 1.00 0.00 O ATOM 166 C5' U A 6 -5.092 9.669 -1.849 1.00 0.00 C ATOM 167 C4' U A 6 -4.491 9.781 -0.451 1.00 0.00 C ATOM 168 O4' U A 6 -4.034 8.491 -0.026 1.00 0.00 O ATOM 169 C3' U A 6 -3.256 10.655 -0.355 1.00 0.00 C ATOM 170 O3' U A 6 -3.702 11.990 -0.072 1.00 0.00 O ATOM 171 C2' U A 6 -2.576 10.112 0.893 1.00 0.00 C ATOM 172 O2' U A 6 -3.221 10.602 2.074 1.00 0.00 O ATOM 173 C1' U A 6 -2.817 8.608 0.730 1.00 0.00 C ATOM 174 N1 U A 6 -1.734 7.934 -0.021 1.00 0.00 N ATOM 175 C2 U A 6 -0.791 7.231 0.705 1.00 0.00 C ATOM 176 O2 U A 6 -0.817 7.156 1.930 1.00 0.00 O ATOM 177 N3 U A 6 0.193 6.606 -0.029 1.00 0.00 N ATOM 178 C4 U A 6 0.317 6.619 -1.402 1.00 0.00 C ATOM 179 O4 U A 6 1.236 6.011 -1.939 1.00 0.00 O ATOM 180 C5 U A 6 -0.702 7.373 -2.092 1.00 0.00 C ATOM 181 C6 U A 6 -1.680 7.996 -1.391 1.00 0.00 C ATOM 0 H5' U A 6 -5.960 9.010 -1.821 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.445 10.648 -2.173 1.00 0.00 H new ATOM 0 H4' U A 6 -5.292 10.211 0.151 1.00 0.00 H new ATOM 0 H3' U A 6 -2.624 10.658 -1.243 1.00 0.00 H new ATOM 0 H2' U A 6 -1.528 10.393 0.994 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.733 11.409 1.856 1.00 0.00 H new ATOM 0 H1' U A 6 -2.862 8.137 1.712 1.00 0.00 H new ATOM 0 H3 U A 6 0.897 6.084 0.493 1.00 0.00 H new ATOM 0 H5 U A 6 -0.685 7.441 -3.170 1.00 0.00 H new ATOM 0 H6 U A 6 -2.435 8.555 -1.923 1.00 0.00 H new ATOM 192 P U A 7 -2.743 13.260 -0.330 1.00 0.00 P ATOM 193 OP1 U A 7 -3.597 14.439 -0.592 1.00 0.00 O ATOM 194 OP2 U A 7 -1.700 12.869 -1.308 1.00 0.00 O ATOM 195 O5' U A 7 -2.039 13.453 1.107 1.00 0.00 O ATOM 196 C5' U A 7 -1.499 14.719 1.507 1.00 0.00 C ATOM 197 C4' U A 7 -1.352 14.806 3.024 1.00 0.00 C ATOM 198 O4' U A 7 -2.653 14.711 3.633 1.00 0.00 O ATOM 199 C3' U A 7 -0.552 13.667 3.642 1.00 0.00 C ATOM 200 O3' U A 7 -0.054 14.120 4.906 1.00 0.00 O ATOM 201 C2' U A 7 -1.618 12.618 3.912 1.00 0.00 C ATOM 202 O2' U A 7 -1.196 11.715 4.938 1.00 0.00 O ATOM 203 C1' U A 7 -2.764 13.499 4.399 1.00 0.00 C ATOM 204 N1 U A 7 -4.087 12.895 4.141 1.00 0.00 N ATOM 205 C2 U A 7 -4.763 12.352 5.219 1.00 0.00 C ATOM 206 O2 U A 7 -4.316 12.375 6.362 1.00 0.00 O ATOM 207 N3 U A 7 -5.985 11.786 4.940 1.00 0.00 N ATOM 208 C4 U A 7 -6.586 11.713 3.701 1.00 0.00 C ATOM 209 O4 U A 7 -7.686 11.182 3.584 1.00 0.00 O ATOM 210 C5 U A 7 -5.823 12.300 2.626 1.00 0.00 C ATOM 211 C6 U A 7 -4.617 12.863 2.879 1.00 0.00 C ATOM 0 H5' U A 7 -2.149 15.521 1.156 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.527 14.867 1.036 1.00 0.00 H new ATOM 0 H4' U A 7 -0.837 15.750 3.203 1.00 0.00 H new ATOM 0 H3' U A 7 0.275 13.315 3.026 1.00 0.00 H new ATOM 0 H2' U A 7 -1.862 11.985 3.058 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.725 10.892 4.887 1.00 0.00 H new ATOM 0 H1' U A 7 -2.693 13.650 5.476 1.00 0.00 H new ATOM 0 H3 U A 7 -6.496 11.381 5.725 1.00 0.00 H new ATOM 0 H5 U A 7 -6.214 12.291 1.619 1.00 0.00 H new ATOM 0 H6 U A 7 -4.059 13.298 2.063 1.00 0.00 H new ATOM 222 P C A 8 1.525 14.055 5.222 1.00 0.00 P ATOM 223 OP1 C A 8 1.712 14.202 6.683 1.00 0.00 O ATOM 224 OP2 C A 8 2.220 14.976 4.294 1.00 0.00 O ATOM 225 O5' C A 8 1.907 12.542 4.809 1.00 0.00 O ATOM 226 C5' C A 8 1.549 11.440 5.655 1.00 0.00 C ATOM 227 C4' C A 8 2.053 10.106 5.108 1.00 0.00 C ATOM 228 O4' C A 8 1.388 9.807 3.867 1.00 0.00 O ATOM 229 C3' C A 8 3.549 10.063 4.784 1.00 0.00 C ATOM 230 O3' C A 8 3.995 8.717 5.026 1.00 0.00 O ATOM 231 C2' C A 8 3.593 10.299 3.280 1.00 0.00 C ATOM 232 O2' C A 8 4.771 9.720 2.707 1.00 0.00 O ATOM 233 C1' C A 8 2.345 9.546 2.838 1.00 0.00 C ATOM 234 N1 C A 8 1.797 10.024 1.552 1.00 0.00 N ATOM 235 C2 C A 8 1.860 9.166 0.464 1.00 0.00 C ATOM 236 O2 C A 8 2.374 8.055 0.579 1.00 0.00 O ATOM 237 N3 C A 8 1.335 9.576 -0.723 1.00 0.00 N ATOM 238 C4 C A 8 0.774 10.783 -0.838 1.00 0.00 C ATOM 239 N4 C A 8 0.267 11.120 -2.020 1.00 0.00 N ATOM 240 C5 C A 8 0.708 11.675 0.276 1.00 0.00 C ATOM 241 C6 C A 8 1.229 11.259 1.444 1.00 0.00 C ATOM 0 H5' C A 8 0.465 11.402 5.760 1.00 0.00 H new ATOM 0 H5'' C A 8 1.960 11.601 6.652 1.00 0.00 H new ATOM 0 H4' C A 8 1.846 9.394 5.907 1.00 0.00 H new ATOM 0 H3' C A 8 4.149 10.771 5.356 1.00 0.00 H new ATOM 0 H2' C A 8 3.619 11.348 2.984 1.00 0.00 H new ATOM 0 HO2' C A 8 5.001 8.899 3.191 1.00 0.00 H new ATOM 0 H1' C A 8 2.578 8.491 2.691 1.00 0.00 H new ATOM 0 H41 C A 8 -0.169 12.033 -2.146 1.00 0.00 H new ATOM 0 H42 C A 8 0.314 10.465 -2.801 1.00 0.00 H new ATOM 0 H5 C A 8 0.255 12.651 0.183 1.00 0.00 H new ATOM 0 H6 C A 8 1.197 11.910 2.305 1.00 0.00 H new ATOM 253 P G A 9 5.184 8.412 6.079 1.00 0.00 P ATOM 254 OP1 G A 9 6.020 9.626 6.204 1.00 0.00 O ATOM 255 OP2 G A 9 5.811 7.125 5.700 1.00 0.00 O ATOM 256 O5' G A 9 4.398 8.195 7.473 1.00 0.00 O ATOM 257 C5' G A 9 3.573 9.231 8.022 1.00 0.00 C ATOM 258 C4' G A 9 2.564 8.683 9.025 1.00 0.00 C ATOM 259 O4' G A 9 1.461 9.595 9.119 1.00 0.00 O ATOM 260 C3' G A 9 1.900 7.378 8.629 1.00 0.00 C ATOM 261 O3' G A 9 2.721 6.309 9.120 1.00 0.00 O ATOM 262 C2' G A 9 0.630 7.406 9.460 1.00 0.00 C ATOM 263 O2' G A 9 0.912 7.079 10.826 1.00 0.00 O ATOM 264 C1' G A 9 0.227 8.877 9.329 1.00 0.00 C ATOM 265 N9 G A 9 -0.681 9.123 8.184 1.00 0.00 N ATOM 266 C8 G A 9 -1.819 9.889 8.154 1.00 0.00 C ATOM 267 N7 G A 9 -2.405 9.918 6.990 1.00 0.00 N ATOM 268 C5 G A 9 -1.602 9.115 6.187 1.00 0.00 C ATOM 269 C6 G A 9 -1.736 8.768 4.813 1.00 0.00 C ATOM 270 O6 G A 9 -2.610 9.107 4.019 1.00 0.00 O ATOM 271 N1 G A 9 -0.714 7.938 4.395 1.00 0.00 N ATOM 272 C2 G A 9 0.311 7.492 5.189 1.00 0.00 C ATOM 273 N2 G A 9 1.212 6.704 4.623 1.00 0.00 N ATOM 274 N3 G A 9 0.450 7.807 6.473 1.00 0.00 N ATOM 275 C4 G A 9 -0.540 8.621 6.908 1.00 0.00 C ATOM 0 H5' G A 9 3.044 9.739 7.216 1.00 0.00 H new ATOM 0 H5'' G A 9 4.202 9.976 8.510 1.00 0.00 H new ATOM 0 H4' G A 9 3.145 8.539 9.936 1.00 0.00 H new ATOM 0 H3' G A 9 1.739 7.254 7.558 1.00 0.00 H new ATOM 0 H2' G A 9 -0.134 6.697 9.142 1.00 0.00 H new ATOM 0 HO2' G A 9 1.783 6.633 10.883 1.00 0.00 H new ATOM 0 H1' G A 9 -0.314 9.195 10.220 1.00 0.00 H new ATOM 0 H8 G A 9 -2.195 10.420 9.016 1.00 0.00 H new ATOM 0 H1 G A 9 -0.723 7.634 3.421 1.00 0.00 H new ATOM 0 H21 G A 9 1.994 6.346 5.172 1.00 0.00 H new ATOM 0 H22 G A 9 1.124 6.455 3.638 1.00 0.00 H new ATOM 287 P G A 10 3.370 5.236 8.105 1.00 0.00 P ATOM 288 OP1 G A 10 4.776 5.008 8.514 1.00 0.00 O ATOM 289 OP2 G A 10 3.066 5.654 6.716 1.00 0.00 O ATOM 290 O5' G A 10 2.532 3.890 8.422 1.00 0.00 O ATOM 291 C5' G A 10 1.866 3.716 9.680 1.00 0.00 C ATOM 292 C4' G A 10 0.345 3.755 9.534 1.00 0.00 C ATOM 293 O4' G A 10 0.013 4.797 8.606 1.00 0.00 O ATOM 294 C3' G A 10 -0.267 2.507 8.914 1.00 0.00 C ATOM 295 O3' G A 10 -0.672 1.641 9.984 1.00 0.00 O ATOM 296 C2' G A 10 -1.525 3.050 8.264 1.00 0.00 C ATOM 297 O2' G A 10 -2.532 3.312 9.247 1.00 0.00 O ATOM 298 C1' G A 10 -0.992 4.351 7.680 1.00 0.00 C ATOM 299 N9 G A 10 -0.321 4.119 6.392 1.00 0.00 N ATOM 300 C8 G A 10 0.939 3.623 6.180 1.00 0.00 C ATOM 301 N7 G A 10 1.251 3.499 4.922 1.00 0.00 N ATOM 302 C5 G A 10 0.115 3.944 4.252 1.00 0.00 C ATOM 303 C6 G A 10 -0.144 4.042 2.858 1.00 0.00 C ATOM 304 O6 G A 10 0.597 3.760 1.920 1.00 0.00 O ATOM 305 N1 G A 10 -1.408 4.536 2.610 1.00 0.00 N ATOM 306 C2 G A 10 -2.318 4.896 3.571 1.00 0.00 C ATOM 307 N2 G A 10 -3.488 5.353 3.148 1.00 0.00 N ATOM 308 N3 G A 10 -2.093 4.812 4.879 1.00 0.00 N ATOM 309 C4 G A 10 -0.857 4.327 5.147 1.00 0.00 C ATOM 0 H5' G A 10 2.184 4.498 10.370 1.00 0.00 H new ATOM 0 H5'' G A 10 2.164 2.764 10.119 1.00 0.00 H new ATOM 0 H4' G A 10 -0.037 3.881 10.547 1.00 0.00 H new ATOM 0 H3' G A 10 0.397 1.970 8.236 1.00 0.00 H new ATOM 0 H2' G A 10 -1.994 2.380 7.543 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.289 2.873 10.089 1.00 0.00 H new ATOM 0 H1' G A 10 -1.805 5.060 7.526 1.00 0.00 H new ATOM 0 H8 G A 10 1.611 3.359 6.983 1.00 0.00 H new ATOM 0 H1 G A 10 -1.688 4.642 1.635 1.00 0.00 H new ATOM 0 H21 G A 10 -4.200 5.634 3.822 1.00 0.00 H new ATOM 0 H22 G A 10 -3.677 5.423 2.148 1.00 0.00 H new ATOM 321 P G A 11 -0.802 0.049 9.750 1.00 0.00 P ATOM 322 OP1 G A 11 -1.164 -0.581 11.038 1.00 0.00 O ATOM 323 OP2 G A 11 0.399 -0.411 9.017 1.00 0.00 O ATOM 324 O5' G A 11 -2.069 -0.065 8.757 1.00 0.00 O ATOM 325 C5' G A 11 -3.401 0.149 9.240 1.00 0.00 C ATOM 326 C4' G A 11 -4.422 0.194 8.105 1.00 0.00 C ATOM 327 O4' G A 11 -4.031 1.186 7.148 1.00 0.00 O ATOM 328 C3' G A 11 -4.522 -1.069 7.270 1.00 0.00 C ATOM 329 O3' G A 11 -5.462 -1.944 7.914 1.00 0.00 O ATOM 330 C2' G A 11 -5.180 -0.543 6.006 1.00 0.00 C ATOM 331 O2' G A 11 -6.578 -0.316 6.221 1.00 0.00 O ATOM 332 C1' G A 11 -4.438 0.786 5.824 1.00 0.00 C ATOM 333 N9 G A 11 -3.240 0.651 4.974 1.00 0.00 N ATOM 334 C8 G A 11 -1.917 0.666 5.343 1.00 0.00 C ATOM 335 N7 G A 11 -1.093 0.533 4.344 1.00 0.00 N ATOM 336 C5 G A 11 -1.925 0.420 3.235 1.00 0.00 C ATOM 337 C6 G A 11 -1.601 0.253 1.861 1.00 0.00 C ATOM 338 O6 G A 11 -0.491 0.177 1.339 1.00 0.00 O ATOM 339 N1 G A 11 -2.735 0.180 1.075 1.00 0.00 N ATOM 340 C2 G A 11 -4.022 0.260 1.541 1.00 0.00 C ATOM 341 N2 G A 11 -4.993 0.169 0.644 1.00 0.00 N ATOM 342 N3 G A 11 -4.343 0.419 2.822 1.00 0.00 N ATOM 343 C4 G A 11 -3.244 0.490 3.611 1.00 0.00 C ATOM 0 H5' G A 11 -3.438 1.085 9.798 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.667 -0.647 9.935 1.00 0.00 H new ATOM 0 H4' G A 11 -5.366 0.377 8.618 1.00 0.00 H new ATOM 0 H3' G A 11 -3.579 -1.595 7.116 1.00 0.00 H new ATOM 0 H2' G A 11 -5.122 -1.216 5.150 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.910 -0.939 6.901 1.00 0.00 H new ATOM 0 H1' G A 11 -5.088 1.511 5.334 1.00 0.00 H new ATOM 0 H8 G A 11 -1.591 0.778 6.366 1.00 0.00 H new ATOM 0 H1 G A 11 -2.605 0.057 0.071 1.00 0.00 H new ATOM 0 H21 G A 11 -5.968 0.223 0.940 1.00 0.00 H new ATOM 0 H22 G A 11 -4.766 0.045 -0.343 1.00 0.00 H new ATOM 355 P U A 12 -5.348 -3.543 7.749 1.00 0.00 P ATOM 356 OP1 U A 12 -6.561 -4.157 8.330 1.00 0.00 O ATOM 357 OP2 U A 12 -4.010 -3.964 8.219 1.00 0.00 O ATOM 358 O5' U A 12 -5.399 -3.737 6.148 1.00 0.00 O ATOM 359 C5' U A 12 -6.638 -3.642 5.433 1.00 0.00 C ATOM 360 C4' U A 12 -6.424 -3.717 3.926 1.00 0.00 C ATOM 361 O4' U A 12 -5.582 -2.633 3.511 1.00 0.00 O ATOM 362 C3' U A 12 -5.682 -4.952 3.450 1.00 0.00 C ATOM 363 O3' U A 12 -6.662 -5.962 3.181 1.00 0.00 O ATOM 364 C2' U A 12 -5.113 -4.488 2.120 1.00 0.00 C ATOM 365 O2' U A 12 -6.123 -4.485 1.105 1.00 0.00 O ATOM 366 C1' U A 12 -4.691 -3.057 2.463 1.00 0.00 C ATOM 367 N1 U A 12 -3.301 -2.981 2.965 1.00 0.00 N ATOM 368 C2 U A 12 -2.284 -2.909 2.031 1.00 0.00 C ATOM 369 O2 U A 12 -2.494 -2.923 0.820 1.00 0.00 O ATOM 370 N3 U A 12 -1.006 -2.828 2.535 1.00 0.00 N ATOM 371 C4 U A 12 -0.656 -2.817 3.868 1.00 0.00 C ATOM 372 O4 U A 12 0.525 -2.752 4.189 1.00 0.00 O ATOM 373 C5 U A 12 -1.767 -2.896 4.785 1.00 0.00 C ATOM 374 C6 U A 12 -3.034 -2.974 4.311 1.00 0.00 C ATOM 0 H5' U A 12 -7.133 -2.704 5.684 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.303 -4.447 5.747 1.00 0.00 H new ATOM 0 H4' U A 12 -7.432 -3.708 3.511 1.00 0.00 H new ATOM 0 H3' U A 12 -4.939 -5.338 4.148 1.00 0.00 H new ATOM 0 H2' U A 12 -4.312 -5.117 1.731 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.899 -4.997 1.415 1.00 0.00 H new ATOM 0 H1' U A 12 -4.738 -2.434 1.570 1.00 0.00 H new ATOM 0 H3 U A 12 -0.246 -2.771 1.858 1.00 0.00 H new ATOM 0 H5 U A 12 -1.589 -2.893 5.850 1.00 0.00 H new ATOM 0 H6 U A 12 -3.855 -3.032 5.011 1.00 0.00 H new ATOM 385 P C A 13 -6.424 -7.485 3.650 1.00 0.00 P ATOM 386 OP1 C A 13 -7.746 -8.113 3.874 1.00 0.00 O ATOM 387 OP2 C A 13 -5.410 -7.489 4.727 1.00 0.00 O ATOM 388 O5' C A 13 -5.762 -8.151 2.342 1.00 0.00 O ATOM 389 C5' C A 13 -6.550 -8.428 1.177 1.00 0.00 C ATOM 390 C4' C A 13 -5.678 -8.593 -0.062 1.00 0.00 C ATOM 391 O4' C A 13 -4.951 -7.380 -0.292 1.00 0.00 O ATOM 392 C3' C A 13 -4.599 -9.654 0.056 1.00 0.00 C ATOM 393 O3' C A 13 -5.162 -10.881 -0.430 1.00 0.00 O ATOM 394 C2' C A 13 -3.566 -9.185 -0.957 1.00 0.00 C ATOM 395 O2' C A 13 -3.963 -9.541 -2.286 1.00 0.00 O ATOM 396 C1' C A 13 -3.624 -7.666 -0.766 1.00 0.00 C ATOM 397 N1 C A 13 -2.650 -7.170 0.233 1.00 0.00 N ATOM 398 C2 C A 13 -1.460 -6.638 -0.238 1.00 0.00 C ATOM 399 O2 C A 13 -1.225 -6.614 -1.443 1.00 0.00 O ATOM 400 N3 C A 13 -0.562 -6.148 0.656 1.00 0.00 N ATOM 401 C4 C A 13 -0.818 -6.177 1.967 1.00 0.00 C ATOM 402 N4 C A 13 0.101 -5.677 2.785 1.00 0.00 N ATOM 403 C5 C A 13 -2.041 -6.725 2.465 1.00 0.00 C ATOM 404 C6 C A 13 -2.924 -7.208 1.570 1.00 0.00 C ATOM 0 H5' C A 13 -7.262 -7.618 1.017 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.131 -9.336 1.337 1.00 0.00 H new ATOM 0 H4' C A 13 -6.377 -8.870 -0.852 1.00 0.00 H new ATOM 0 H3' C A 13 -4.205 -9.796 1.062 1.00 0.00 H new ATOM 0 H2' C A 13 -2.575 -9.618 -0.820 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.672 -10.217 -2.246 1.00 0.00 H new ATOM 0 H1' C A 13 -3.380 -7.176 -1.709 1.00 0.00 H new ATOM 0 H41 C A 13 -0.057 -5.681 3.793 1.00 0.00 H new ATOM 0 H42 C A 13 0.965 -5.289 2.406 1.00 0.00 H new ATOM 0 H5 C A 13 -2.250 -6.751 3.524 1.00 0.00 H new ATOM 0 H6 C A 13 -3.857 -7.629 1.913 1.00 0.00 H new ATOM 416 P C A 14 -5.547 -12.075 0.586 1.00 0.00 P ATOM 417 OP1 C A 14 -6.773 -12.735 0.082 1.00 0.00 O ATOM 418 OP2 C A 14 -5.505 -11.544 1.966 1.00 0.00 O ATOM 419 O5' C A 14 -4.313 -13.098 0.407 1.00 0.00 O ATOM 420 C5' C A 14 -4.200 -13.916 -0.765 1.00 0.00 C ATOM 421 C4' C A 14 -2.752 -14.022 -1.236 1.00 0.00 C ATOM 422 O4' C A 14 -2.241 -12.709 -1.487 1.00 0.00 O ATOM 423 C3' C A 14 -1.788 -14.602 -0.215 1.00 0.00 C ATOM 424 O3' C A 14 -1.819 -16.034 -0.229 1.00 0.00 O ATOM 425 C2' C A 14 -0.463 -14.073 -0.746 1.00 0.00 C ATOM 426 O2' C A 14 -0.048 -14.811 -1.901 1.00 0.00 O ATOM 427 C1' C A 14 -0.850 -12.644 -1.134 1.00 0.00 C ATOM 428 N1 C A 14 -0.693 -11.689 -0.014 1.00 0.00 N ATOM 429 C2 C A 14 0.482 -10.954 0.048 1.00 0.00 C ATOM 430 O2 C A 14 1.358 -11.103 -0.800 1.00 0.00 O ATOM 431 N3 C A 14 0.643 -10.069 1.068 1.00 0.00 N ATOM 432 C4 C A 14 -0.309 -9.911 1.993 1.00 0.00 C ATOM 433 N4 C A 14 -0.084 -9.037 2.969 1.00 0.00 N ATOM 434 C5 C A 14 -1.522 -10.664 1.938 1.00 0.00 C ATOM 435 C6 C A 14 -1.672 -11.535 0.925 1.00 0.00 C ATOM 0 H5' C A 14 -4.813 -13.497 -1.563 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.589 -14.912 -0.554 1.00 0.00 H new ATOM 0 H4' C A 14 -2.798 -14.676 -2.107 1.00 0.00 H new ATOM 0 H3' C A 14 -2.003 -14.331 0.819 1.00 0.00 H new ATOM 0 H2' C A 14 0.364 -14.143 -0.040 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.439 -15.709 -1.873 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.188 -16.381 0.436 1.00 0.00 H new ATOM 0 H1' C A 14 -0.207 -12.292 -1.941 1.00 0.00 H new ATOM 0 H41 C A 14 -0.787 -8.889 3.693 1.00 0.00 H new ATOM 0 H42 C A 14 0.792 -8.514 2.994 1.00 0.00 H new ATOM 0 H5 C A 14 -2.292 -10.538 2.685 1.00 0.00 H new ATOM 0 H6 C A 14 -2.577 -12.120 0.853 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.054 -1.265 2.666 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.454 -3.058 3.277 1.00 0.00 N HETATM 451 N2 NCO A 15 4.654 0.528 2.054 1.00 0.00 N HETATM 452 N3 NCO A 15 2.225 -0.549 2.967 1.00 0.00 N HETATM 453 N4 NCO A 15 5.883 -1.981 2.364 1.00 0.00 N HETATM 454 N5 NCO A 15 4.546 -0.793 4.532 1.00 0.00 N HETATM 455 N6 NCO A 15 3.562 -1.737 0.801 1.00 0.00 N