USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.385 USER MOD Single : A 1 G O5' : rot 25:sc= 0.322 USER MOD Single : A 2 A O2' : rot 180:sc= -0.247 USER MOD Single : A 3 G O2' : rot 180:sc= -0.333 USER MOD Single : A 4 G O2' : rot -27:sc= -0.314 USER MOD Single : A 5 U O2' : rot 180:sc= -0.302 USER MOD Single : A 6 C O2' : rot 180:sc= -0.371 USER MOD Single : A 7 U O2' : rot 180:sc= -0.425 USER MOD Single : A 8 C O2' : rot -38:sc= 0.125 USER MOD Single : A 8 C O3' : rot 180:sc= 0.102 USER MOD Single : B 9 G O2' : rot 180:sc= -0.403 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.195 USER MOD Single : B 11 G O2' : rot 180:sc= -0.404 USER MOD Single : B 12 G O2' : rot -24:sc= 0.0272 USER MOD Single : B 13 U O2' : rot 180:sc= -0.323 USER MOD Single : B 14 C O2' : rot -15:sc= -0.264 USER MOD Single : B 15 U O2' : rot 180:sc= -0.447 USER MOD Single : B 16 C O2' : rot -20:sc= 0.117 USER MOD Single : B 16 C O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 7.099 -9.676 5.242 1.00 0.00 O ATOM 2 C5' G A 1 6.717 -9.150 3.989 1.00 0.00 C ATOM 3 C4' G A 1 7.592 -7.943 3.646 1.00 0.00 C ATOM 4 O4' G A 1 7.226 -7.386 2.385 1.00 0.00 O ATOM 5 C3' G A 1 7.422 -6.814 4.644 1.00 0.00 C ATOM 6 O3' G A 1 8.158 -7.026 5.834 1.00 0.00 O ATOM 7 C2' G A 1 7.967 -5.662 3.840 1.00 0.00 C ATOM 8 O2' G A 1 9.378 -5.722 3.799 1.00 0.00 O ATOM 9 C1' G A 1 7.424 -5.965 2.452 1.00 0.00 C ATOM 10 N9 G A 1 6.133 -5.273 2.272 1.00 0.00 N ATOM 11 C8 G A 1 4.866 -5.742 2.498 1.00 0.00 C ATOM 12 N7 G A 1 3.926 -4.876 2.240 1.00 0.00 N ATOM 13 C5 G A 1 4.621 -3.745 1.821 1.00 0.00 C ATOM 14 C6 G A 1 4.133 -2.468 1.414 1.00 0.00 C ATOM 15 O6 G A 1 2.968 -2.090 1.327 1.00 0.00 O ATOM 16 N1 G A 1 5.173 -1.601 1.096 1.00 0.00 N ATOM 17 C2 G A 1 6.513 -1.919 1.154 1.00 0.00 C ATOM 18 N2 G A 1 7.376 -0.956 0.817 1.00 0.00 N ATOM 19 N3 G A 1 6.973 -3.117 1.527 1.00 0.00 N ATOM 20 C4 G A 1 5.974 -3.978 1.847 1.00 0.00 C ATOM 0 H5' G A 1 5.668 -8.855 4.012 1.00 0.00 H new ATOM 0 H5'' G A 1 6.816 -9.914 3.218 1.00 0.00 H new ATOM 0 H4' G A 1 8.615 -8.319 3.648 1.00 0.00 H new ATOM 0 H3' G A 1 6.402 -6.681 5.004 1.00 0.00 H new ATOM 0 H2' G A 1 7.695 -4.684 4.237 1.00 0.00 H new ATOM 0 HO2' G A 1 9.722 -4.970 3.273 1.00 0.00 H new ATOM 0 HO5' G A 1 7.526 -8.973 5.775 1.00 0.00 H new ATOM 0 H1' G A 1 8.110 -5.629 1.674 1.00 0.00 H new ATOM 0 H8 G A 1 4.664 -6.740 2.858 1.00 0.00 H new ATOM 0 H1 G A 1 4.925 -0.658 0.797 1.00 0.00 H new ATOM 0 H21 G A 1 8.379 -1.138 0.843 1.00 0.00 H new ATOM 0 H22 G A 1 7.031 -0.039 0.534 1.00 0.00 H new ATOM 33 P A A 2 7.853 -6.152 7.157 1.00 0.00 P ATOM 34 OP1 A A 2 8.818 -6.552 8.205 1.00 0.00 O ATOM 35 OP2 A A 2 6.401 -6.236 7.428 1.00 0.00 O ATOM 36 O5' A A 2 8.191 -4.641 6.713 1.00 0.00 O ATOM 37 C5' A A 2 9.527 -4.196 6.594 1.00 0.00 C ATOM 38 C4' A A 2 9.532 -2.730 6.155 1.00 0.00 C ATOM 39 O4' A A 2 8.855 -2.557 4.915 1.00 0.00 O ATOM 40 C3' A A 2 8.787 -1.843 7.126 1.00 0.00 C ATOM 41 O3' A A 2 9.540 -1.576 8.297 1.00 0.00 O ATOM 42 C2' A A 2 8.586 -0.618 6.274 1.00 0.00 C ATOM 43 O2' A A 2 9.791 0.114 6.198 1.00 0.00 O ATOM 44 C1' A A 2 8.300 -1.234 4.904 1.00 0.00 C ATOM 45 N9 A A 2 6.839 -1.292 4.669 1.00 0.00 N ATOM 46 C8 A A 2 5.981 -2.355 4.803 1.00 0.00 C ATOM 47 N7 A A 2 4.738 -2.070 4.521 1.00 0.00 N ATOM 48 C5 A A 2 4.776 -0.723 4.174 1.00 0.00 C ATOM 49 C6 A A 2 3.780 0.188 3.768 1.00 0.00 C ATOM 50 N6 A A 2 2.489 -0.142 3.641 1.00 0.00 N ATOM 51 N1 A A 2 4.160 1.450 3.497 1.00 0.00 N ATOM 52 C2 A A 2 5.443 1.779 3.623 1.00 0.00 C ATOM 53 N3 A A 2 6.467 1.021 3.994 1.00 0.00 N ATOM 54 C4 A A 2 6.053 -0.242 4.259 1.00 0.00 C ATOM 0 H5' A A 2 10.063 -4.807 5.868 1.00 0.00 H new ATOM 0 H5'' A A 2 10.045 -4.305 7.547 1.00 0.00 H new ATOM 0 H4' A A 2 10.586 -2.459 6.092 1.00 0.00 H new ATOM 0 H3' A A 2 7.866 -2.272 7.521 1.00 0.00 H new ATOM 0 H2' A A 2 7.814 0.056 6.645 1.00 0.00 H new ATOM 0 HO2' A A 2 9.656 0.910 5.642 1.00 0.00 H new ATOM 0 H1' A A 2 8.742 -0.636 4.107 1.00 0.00 H new ATOM 0 H8 A A 2 6.304 -3.338 5.113 1.00 0.00 H new ATOM 0 H61 A A 2 1.810 0.559 3.343 1.00 0.00 H new ATOM 0 H62 A A 2 2.184 -1.094 3.842 1.00 0.00 H new ATOM 0 H2 A A 2 5.685 2.806 3.391 1.00 0.00 H new ATOM 66 P G A 3 8.841 -0.947 9.612 1.00 0.00 P ATOM 67 OP1 G A 3 9.883 -0.772 10.648 1.00 0.00 O ATOM 68 OP2 G A 3 7.636 -1.750 9.913 1.00 0.00 O ATOM 69 O5' G A 3 8.360 0.512 9.136 1.00 0.00 O ATOM 70 C5' G A 3 9.280 1.574 8.981 1.00 0.00 C ATOM 71 C4' G A 3 8.524 2.802 8.474 1.00 0.00 C ATOM 72 O4' G A 3 7.872 2.516 7.243 1.00 0.00 O ATOM 73 C3' G A 3 7.428 3.230 9.412 1.00 0.00 C ATOM 74 O3' G A 3 7.932 3.949 10.526 1.00 0.00 O ATOM 75 C2' G A 3 6.633 4.115 8.479 1.00 0.00 C ATOM 76 O2' G A 3 7.262 5.373 8.349 1.00 0.00 O ATOM 77 C1' G A 3 6.741 3.380 7.146 1.00 0.00 C ATOM 78 N9 G A 3 5.504 2.606 6.930 1.00 0.00 N ATOM 79 C8 G A 3 5.260 1.273 7.138 1.00 0.00 C ATOM 80 N7 G A 3 4.027 0.918 6.895 1.00 0.00 N ATOM 81 C5 G A 3 3.410 2.104 6.503 1.00 0.00 C ATOM 82 C6 G A 3 2.059 2.357 6.120 1.00 0.00 C ATOM 83 O6 G A 3 1.127 1.561 6.038 1.00 0.00 O ATOM 84 N1 G A 3 1.857 3.699 5.816 1.00 0.00 N ATOM 85 C2 G A 3 2.830 4.675 5.863 1.00 0.00 C ATOM 86 N2 G A 3 2.461 5.914 5.529 1.00 0.00 N ATOM 87 N3 G A 3 4.094 4.440 6.215 1.00 0.00 N ATOM 88 C4 G A 3 4.311 3.139 6.523 1.00 0.00 C ATOM 0 H5' G A 3 10.065 1.295 8.278 1.00 0.00 H new ATOM 0 H5'' G A 3 9.767 1.795 9.931 1.00 0.00 H new ATOM 0 H4' G A 3 9.276 3.585 8.377 1.00 0.00 H new ATOM 0 H3' G A 3 6.866 2.416 9.870 1.00 0.00 H new ATOM 0 H2' G A 3 5.612 4.288 8.820 1.00 0.00 H new ATOM 0 HO2' G A 3 6.740 5.939 7.742 1.00 0.00 H new ATOM 0 H1' G A 3 6.864 4.065 6.307 1.00 0.00 H new ATOM 0 H8 G A 3 6.018 0.580 7.472 1.00 0.00 H new ATOM 0 H1 G A 3 0.918 3.983 5.537 1.00 0.00 H new ATOM 0 H21 G A 3 3.143 6.672 5.548 1.00 0.00 H new ATOM 0 H22 G A 3 1.497 6.103 5.255 1.00 0.00 H new ATOM 100 P G A 4 6.948 4.471 11.700 1.00 0.00 P ATOM 101 OP1 G A 4 7.788 4.941 12.824 1.00 0.00 O ATOM 102 OP2 G A 4 5.930 3.424 11.936 1.00 0.00 O ATOM 103 O5' G A 4 6.203 5.758 11.062 1.00 0.00 O ATOM 104 C5' G A 4 6.888 6.987 10.885 1.00 0.00 C ATOM 105 C4' G A 4 5.906 8.060 10.392 1.00 0.00 C ATOM 106 O4' G A 4 5.305 7.690 9.149 1.00 0.00 O ATOM 107 C3' G A 4 4.759 8.264 11.363 1.00 0.00 C ATOM 108 O3' G A 4 5.113 9.124 12.430 1.00 0.00 O ATOM 109 C2' G A 4 3.741 8.906 10.454 1.00 0.00 C ATOM 110 O2' G A 4 4.091 10.256 10.227 1.00 0.00 O ATOM 111 C1' G A 4 3.938 8.134 9.160 1.00 0.00 C ATOM 112 N9 G A 4 3.042 6.963 9.109 1.00 0.00 N ATOM 113 C8 G A 4 3.361 5.643 9.253 1.00 0.00 C ATOM 114 N7 G A 4 2.353 4.830 9.099 1.00 0.00 N ATOM 115 C5 G A 4 1.280 5.676 8.833 1.00 0.00 C ATOM 116 C6 G A 4 -0.088 5.368 8.574 1.00 0.00 C ATOM 117 O6 G A 4 -0.625 4.264 8.519 1.00 0.00 O ATOM 118 N1 G A 4 -0.843 6.518 8.372 1.00 0.00 N ATOM 119 C2 G A 4 -0.347 7.803 8.396 1.00 0.00 C ATOM 120 N2 G A 4 -1.225 8.788 8.180 1.00 0.00 N ATOM 121 N3 G A 4 0.938 8.097 8.628 1.00 0.00 N ATOM 122 C4 G A 4 1.692 6.988 8.841 1.00 0.00 C ATOM 0 H5' G A 4 7.698 6.863 10.166 1.00 0.00 H new ATOM 0 H5'' G A 4 7.342 7.300 11.825 1.00 0.00 H new ATOM 0 H4' G A 4 6.499 8.969 10.291 1.00 0.00 H new ATOM 0 H3' G A 4 4.423 7.353 11.859 1.00 0.00 H new ATOM 0 H2' G A 4 2.725 8.885 10.849 1.00 0.00 H new ATOM 0 HO2' G A 4 4.610 10.592 10.988 1.00 0.00 H new ATOM 0 H1' G A 4 3.711 8.765 8.301 1.00 0.00 H new ATOM 0 H8 G A 4 4.361 5.302 9.475 1.00 0.00 H new ATOM 0 H1 G A 4 -1.840 6.401 8.192 1.00 0.00 H new ATOM 0 H21 G A 4 -0.914 9.759 8.186 1.00 0.00 H new ATOM 0 H22 G A 4 -2.206 8.568 8.009 1.00 0.00 H new ATOM 134 P U A 5 4.278 9.121 13.809 1.00 0.00 P ATOM 135 OP1 U A 5 4.710 10.285 14.613 1.00 0.00 O ATOM 136 OP2 U A 5 4.361 7.761 14.384 1.00 0.00 O ATOM 137 O5' U A 5 2.755 9.367 13.345 1.00 0.00 O ATOM 138 C5' U A 5 2.296 10.643 12.955 1.00 0.00 C ATOM 139 C4' U A 5 0.795 10.572 12.630 1.00 0.00 C ATOM 140 O4' U A 5 0.497 9.816 11.448 1.00 0.00 O ATOM 141 C3' U A 5 -0.003 9.943 13.740 1.00 0.00 C ATOM 142 O3' U A 5 -0.215 10.830 14.821 1.00 0.00 O ATOM 143 C2' U A 5 -1.273 9.651 12.986 1.00 0.00 C ATOM 144 O2' U A 5 -2.003 10.841 12.759 1.00 0.00 O ATOM 145 C1' U A 5 -0.753 9.130 11.670 1.00 0.00 C ATOM 146 N1 U A 5 -0.503 7.671 11.744 1.00 0.00 N ATOM 147 C2 U A 5 -1.547 6.798 11.456 1.00 0.00 C ATOM 148 O2 U A 5 -2.683 7.187 11.187 1.00 0.00 O ATOM 149 N3 U A 5 -1.234 5.448 11.485 1.00 0.00 N ATOM 150 C4 U A 5 0.008 4.904 11.774 1.00 0.00 C ATOM 151 O4 U A 5 0.175 3.688 11.769 1.00 0.00 O ATOM 152 C5 U A 5 1.027 5.887 12.064 1.00 0.00 C ATOM 153 C6 U A 5 0.741 7.209 12.037 1.00 0.00 C ATOM 0 H5' U A 5 2.851 10.990 12.084 1.00 0.00 H new ATOM 0 H5'' U A 5 2.472 11.364 13.753 1.00 0.00 H new ATOM 0 H4' U A 5 0.518 11.616 12.485 1.00 0.00 H new ATOM 0 H3' U A 5 0.465 9.083 14.219 1.00 0.00 H new ATOM 0 H2' U A 5 -1.939 8.968 13.513 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.824 10.632 12.267 1.00 0.00 H new ATOM 0 H1' U A 5 -1.472 9.300 10.869 1.00 0.00 H new ATOM 0 H3 U A 5 -1.988 4.794 11.274 1.00 0.00 H new ATOM 0 H5 U A 5 2.028 5.562 12.305 1.00 0.00 H new ATOM 0 H6 U A 5 1.525 7.919 12.255 1.00 0.00 H new ATOM 164 P C A 6 -0.687 10.275 16.261 1.00 0.00 P ATOM 165 OP1 C A 6 -0.960 11.435 17.138 1.00 0.00 O ATOM 166 OP2 C A 6 0.280 9.241 16.689 1.00 0.00 O ATOM 167 O5' C A 6 -2.083 9.547 15.941 1.00 0.00 O ATOM 168 C5' C A 6 -3.253 10.293 15.694 1.00 0.00 C ATOM 169 C4' C A 6 -4.393 9.340 15.335 1.00 0.00 C ATOM 170 O4' C A 6 -4.105 8.592 14.153 1.00 0.00 O ATOM 171 C3' C A 6 -4.643 8.305 16.412 1.00 0.00 C ATOM 172 O3' C A 6 -5.370 8.822 17.509 1.00 0.00 O ATOM 173 C2' C A 6 -5.446 7.302 15.624 1.00 0.00 C ATOM 174 O2' C A 6 -6.760 7.783 15.422 1.00 0.00 O ATOM 175 C1' C A 6 -4.715 7.299 14.287 1.00 0.00 C ATOM 176 N1 C A 6 -3.685 6.229 14.284 1.00 0.00 N ATOM 177 C2 C A 6 -4.130 4.930 14.087 1.00 0.00 C ATOM 178 O2 C A 6 -5.321 4.713 13.880 1.00 0.00 O ATOM 179 N3 C A 6 -3.221 3.919 14.131 1.00 0.00 N ATOM 180 C4 C A 6 -1.927 4.168 14.367 1.00 0.00 C ATOM 181 N4 C A 6 -1.071 3.142 14.412 1.00 0.00 N ATOM 182 C5 C A 6 -1.448 5.504 14.561 1.00 0.00 C ATOM 183 C6 C A 6 -2.360 6.498 14.504 1.00 0.00 C ATOM 0 H5' C A 6 -3.083 10.998 14.880 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.517 10.879 16.574 1.00 0.00 H new ATOM 0 H4' C A 6 -5.260 9.987 15.204 1.00 0.00 H new ATOM 0 H3' C A 6 -3.741 7.912 16.881 1.00 0.00 H new ATOM 0 H2' C A 6 -5.527 6.328 16.107 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.274 7.125 14.908 1.00 0.00 H new ATOM 0 H1' C A 6 -5.393 7.106 13.456 1.00 0.00 H new ATOM 0 H41 C A 6 -0.081 3.311 14.591 1.00 0.00 H new ATOM 0 H42 C A 6 -1.408 2.190 14.268 1.00 0.00 H new ATOM 0 H5 C A 6 -0.403 5.707 14.745 1.00 0.00 H new ATOM 0 H6 C A 6 -2.040 7.521 14.634 1.00 0.00 H new ATOM 195 P U A 7 -5.435 8.016 18.907 1.00 0.00 P ATOM 196 OP1 U A 7 -6.301 8.775 19.836 1.00 0.00 O ATOM 197 OP2 U A 7 -4.048 7.685 19.304 1.00 0.00 O ATOM 198 O5' U A 7 -6.186 6.638 18.534 1.00 0.00 O ATOM 199 C5' U A 7 -7.580 6.606 18.311 1.00 0.00 C ATOM 200 C4' U A 7 -8.027 5.163 18.063 1.00 0.00 C ATOM 201 O4' U A 7 -7.383 4.591 16.920 1.00 0.00 O ATOM 202 C3' U A 7 -7.664 4.246 19.213 1.00 0.00 C ATOM 203 O3' U A 7 -8.528 4.379 20.325 1.00 0.00 O ATOM 204 C2' U A 7 -7.827 2.912 18.536 1.00 0.00 C ATOM 205 O2' U A 7 -9.199 2.605 18.402 1.00 0.00 O ATOM 206 C1' U A 7 -7.253 3.174 17.152 1.00 0.00 C ATOM 207 N1 U A 7 -5.828 2.748 17.086 1.00 0.00 N ATOM 208 C2 U A 7 -5.582 1.387 16.955 1.00 0.00 C ATOM 209 O2 U A 7 -6.488 0.558 16.914 1.00 0.00 O ATOM 210 N3 U A 7 -4.254 1.008 16.871 1.00 0.00 N ATOM 211 C4 U A 7 -3.161 1.855 16.909 1.00 0.00 C ATOM 212 O4 U A 7 -2.020 1.404 16.838 1.00 0.00 O ATOM 213 C5 U A 7 -3.503 3.257 17.033 1.00 0.00 C ATOM 214 C6 U A 7 -4.797 3.655 17.113 1.00 0.00 C ATOM 0 H5' U A 7 -7.836 7.229 17.454 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.106 7.017 19.173 1.00 0.00 H new ATOM 0 H4' U A 7 -9.106 5.232 17.928 1.00 0.00 H new ATOM 0 H3' U A 7 -6.682 4.438 19.646 1.00 0.00 H new ATOM 0 H2' U A 7 -7.354 2.092 19.077 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.298 1.736 17.960 1.00 0.00 H new ATOM 0 H1' U A 7 -7.784 2.606 16.388 1.00 0.00 H new ATOM 0 H3 U A 7 -4.063 0.011 16.772 1.00 0.00 H new ATOM 0 H5 U A 7 -2.716 3.996 17.062 1.00 0.00 H new ATOM 0 H6 U A 7 -5.022 4.708 17.200 1.00 0.00 H new ATOM 225 P C A 8 -8.166 3.679 21.738 1.00 0.00 P ATOM 226 OP1 C A 8 -9.255 3.980 22.694 1.00 0.00 O ATOM 227 OP2 C A 8 -6.773 4.040 22.080 1.00 0.00 O ATOM 228 O5' C A 8 -8.205 2.096 21.419 1.00 0.00 O ATOM 229 C5' C A 8 -9.432 1.408 21.287 1.00 0.00 C ATOM 230 C4' C A 8 -9.167 -0.077 21.017 1.00 0.00 C ATOM 231 O4' C A 8 -8.406 -0.276 19.831 1.00 0.00 O ATOM 232 C3' C A 8 -8.342 -0.725 22.105 1.00 0.00 C ATOM 233 O3' C A 8 -9.086 -0.977 23.278 1.00 0.00 O ATOM 234 C2' C A 8 -7.930 -1.995 21.415 1.00 0.00 C ATOM 235 O2' C A 8 -9.012 -2.903 21.398 1.00 0.00 O ATOM 236 C1' C A 8 -7.663 -1.499 19.993 1.00 0.00 C ATOM 237 N1 C A 8 -6.205 -1.258 19.816 1.00 0.00 N ATOM 238 C2 C A 8 -5.392 -2.367 19.619 1.00 0.00 C ATOM 239 O2 C A 8 -5.882 -3.493 19.571 1.00 0.00 O ATOM 240 N3 C A 8 -4.049 -2.169 19.485 1.00 0.00 N ATOM 241 C4 C A 8 -3.526 -0.936 19.546 1.00 0.00 C ATOM 242 N4 C A 8 -2.206 -0.785 19.399 1.00 0.00 N ATOM 243 C5 C A 8 -4.351 0.214 19.757 1.00 0.00 C ATOM 244 C6 C A 8 -5.678 0.001 19.883 1.00 0.00 C ATOM 0 H5' C A 8 -10.014 1.837 20.472 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.023 1.522 22.196 1.00 0.00 H new ATOM 0 H4' C A 8 -10.162 -0.516 20.948 1.00 0.00 H new ATOM 0 H3' C A 8 -7.517 -0.110 22.465 1.00 0.00 H new ATOM 0 H2' C A 8 -7.089 -2.506 21.884 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.504 -2.842 22.243 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.508 -1.397 23.948 1.00 0.00 H new ATOM 0 H1' C A 8 -7.972 -2.232 19.248 1.00 0.00 H new ATOM 0 H41 C A 8 -1.791 0.146 19.443 1.00 0.00 H new ATOM 0 H42 C A 8 -1.614 -1.601 19.243 1.00 0.00 H new ATOM 0 H5 C A 8 -3.931 1.207 19.813 1.00 0.00 H new ATOM 0 H6 C A 8 -6.336 0.843 20.040 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.556 -11.124 17.500 1.00 0.00 O ATOM 259 C5' G B 9 2.903 -10.356 16.513 1.00 0.00 C ATOM 260 C4' G B 9 1.408 -10.286 16.824 1.00 0.00 C ATOM 261 O4' G B 9 1.165 -9.578 18.039 1.00 0.00 O ATOM 262 C3' G B 9 0.648 -9.518 15.761 1.00 0.00 C ATOM 263 O3' G B 9 0.392 -10.297 14.608 1.00 0.00 O ATOM 264 C2' G B 9 -0.614 -9.193 16.517 1.00 0.00 C ATOM 265 O2' G B 9 -1.435 -10.340 16.609 1.00 0.00 O ATOM 266 C1' G B 9 -0.073 -8.866 17.900 1.00 0.00 C ATOM 267 N9 G B 9 0.173 -7.414 17.995 1.00 0.00 N ATOM 268 C8 G B 9 1.328 -6.719 17.753 1.00 0.00 C ATOM 269 N7 G B 9 1.219 -5.432 17.928 1.00 0.00 N ATOM 270 C5 G B 9 -0.109 -5.257 18.305 1.00 0.00 C ATOM 271 C6 G B 9 -0.823 -4.065 18.622 1.00 0.00 C ATOM 272 O6 G B 9 -0.404 -2.910 18.648 1.00 0.00 O ATOM 273 N1 G B 9 -2.153 -4.330 18.926 1.00 0.00 N ATOM 274 C2 G B 9 -2.728 -5.583 18.932 1.00 0.00 C ATOM 275 N2 G B 9 -4.026 -5.649 19.242 1.00 0.00 N ATOM 276 N3 G B 9 -2.060 -6.704 18.644 1.00 0.00 N ATOM 277 C4 G B 9 -0.759 -6.467 18.339 1.00 0.00 C ATOM 0 H5' G B 9 3.060 -10.800 15.530 1.00 0.00 H new ATOM 0 H5'' G B 9 3.325 -9.352 16.481 1.00 0.00 H new ATOM 0 H4' G B 9 1.076 -11.323 16.882 1.00 0.00 H new ATOM 0 H3' G B 9 1.179 -8.654 15.362 1.00 0.00 H new ATOM 0 H2' G B 9 -1.209 -8.404 16.058 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.252 -10.119 17.103 1.00 0.00 H new ATOM 0 HO5' G B 9 4.514 -11.169 17.299 1.00 0.00 H new ATOM 0 H1' G B 9 -0.777 -9.151 18.682 1.00 0.00 H new ATOM 0 H8 G B 9 2.247 -7.195 17.445 1.00 0.00 H new ATOM 0 H1 G B 9 -2.749 -3.537 19.163 1.00 0.00 H new ATOM 0 H21 G B 9 -4.501 -6.552 19.261 1.00 0.00 H new ATOM 0 H22 G B 9 -4.542 -4.797 19.460 1.00 0.00 H new ATOM 290 P A B 10 -0.090 -9.600 13.232 1.00 0.00 P ATOM 291 OP1 A B 10 -0.333 -10.667 12.237 1.00 0.00 O ATOM 292 OP2 A B 10 0.861 -8.510 12.921 1.00 0.00 O ATOM 293 O5' A B 10 -1.507 -8.932 13.609 1.00 0.00 O ATOM 294 C5' A B 10 -2.672 -9.720 13.749 1.00 0.00 C ATOM 295 C4' A B 10 -3.852 -8.816 14.115 1.00 0.00 C ATOM 296 O4' A B 10 -3.600 -8.095 15.316 1.00 0.00 O ATOM 297 C3' A B 10 -4.099 -7.752 13.069 1.00 0.00 C ATOM 298 O3' A B 10 -4.767 -8.268 11.930 1.00 0.00 O ATOM 299 C2' A B 10 -4.952 -6.787 13.851 1.00 0.00 C ATOM 300 O2' A B 10 -6.274 -7.280 13.944 1.00 0.00 O ATOM 301 C1' A B 10 -4.305 -6.848 15.235 1.00 0.00 C ATOM 302 N9 A B 10 -3.367 -5.715 15.409 1.00 0.00 N ATOM 303 C8 A B 10 -1.999 -5.696 15.289 1.00 0.00 C ATOM 304 N7 A B 10 -1.465 -4.525 15.507 1.00 0.00 N ATOM 305 C5 A B 10 -2.555 -3.709 15.794 1.00 0.00 C ATOM 306 C6 A B 10 -2.667 -2.342 16.118 1.00 0.00 C ATOM 307 N6 A B 10 -1.616 -1.519 16.207 1.00 0.00 N ATOM 308 N1 A B 10 -3.900 -1.853 16.348 1.00 0.00 N ATOM 309 C2 A B 10 -4.945 -2.672 16.260 1.00 0.00 C ATOM 310 N3 A B 10 -4.971 -3.965 15.966 1.00 0.00 N ATOM 311 C4 A B 10 -3.718 -4.427 15.740 1.00 0.00 C ATOM 0 H5' A B 10 -2.524 -10.475 14.521 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.880 -10.251 12.820 1.00 0.00 H new ATOM 0 H4' A B 10 -4.704 -9.489 14.209 1.00 0.00 H new ATOM 0 H3' A B 10 -3.196 -7.311 12.648 1.00 0.00 H new ATOM 0 H2' A B 10 -5.005 -5.790 13.413 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.823 -6.649 14.454 1.00 0.00 H new ATOM 0 H1' A B 10 -5.058 -6.779 16.020 1.00 0.00 H new ATOM 0 H8 A B 10 -1.418 -6.571 15.037 1.00 0.00 H new ATOM 0 H61 A B 10 -1.756 -0.537 16.445 1.00 0.00 H new ATOM 0 H62 A B 10 -0.675 -1.873 16.037 1.00 0.00 H new ATOM 0 H2 A B 10 -5.907 -2.221 16.455 1.00 0.00 H new ATOM 323 P G B 11 -4.815 -7.436 10.544 1.00 0.00 P ATOM 324 OP1 G B 11 -5.601 -8.220 9.565 1.00 0.00 O ATOM 325 OP2 G B 11 -3.433 -7.026 10.213 1.00 0.00 O ATOM 326 O5' G B 11 -5.652 -6.113 10.911 1.00 0.00 O ATOM 327 C5' G B 11 -7.058 -6.149 11.053 1.00 0.00 C ATOM 328 C4' G B 11 -7.542 -4.754 11.449 1.00 0.00 C ATOM 329 O4' G B 11 -6.924 -4.335 12.658 1.00 0.00 O ATOM 330 C3' G B 11 -7.168 -3.706 10.436 1.00 0.00 C ATOM 331 O3' G B 11 -8.015 -3.735 9.297 1.00 0.00 O ATOM 332 C2' G B 11 -7.386 -2.468 11.273 1.00 0.00 C ATOM 333 O2' G B 11 -8.764 -2.173 11.345 1.00 0.00 O ATOM 334 C1' G B 11 -6.914 -2.910 12.657 1.00 0.00 C ATOM 335 N9 G B 11 -5.555 -2.390 12.887 1.00 0.00 N ATOM 336 C8 G B 11 -4.345 -3.025 12.774 1.00 0.00 C ATOM 337 N7 G B 11 -3.320 -2.250 13.000 1.00 0.00 N ATOM 338 C5 G B 11 -3.893 -1.012 13.279 1.00 0.00 C ATOM 339 C6 G B 11 -3.280 0.237 13.596 1.00 0.00 C ATOM 340 O6 G B 11 -2.083 0.494 13.706 1.00 0.00 O ATOM 341 N1 G B 11 -4.228 1.236 13.789 1.00 0.00 N ATOM 342 C2 G B 11 -5.592 1.060 13.700 1.00 0.00 C ATOM 343 N2 G B 11 -6.358 2.130 13.927 1.00 0.00 N ATOM 344 N3 G B 11 -6.167 -0.107 13.409 1.00 0.00 N ATOM 345 C4 G B 11 -5.261 -1.094 13.210 1.00 0.00 C ATOM 0 H5' G B 11 -7.343 -6.878 11.811 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.525 -6.461 10.119 1.00 0.00 H new ATOM 0 H4' G B 11 -8.625 -4.839 11.537 1.00 0.00 H new ATOM 0 H3' G B 11 -6.171 -3.810 10.008 1.00 0.00 H new ATOM 0 H2' G B 11 -6.875 -1.589 10.880 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.899 -1.370 11.890 1.00 0.00 H new ATOM 0 H1' G B 11 -7.557 -2.531 13.451 1.00 0.00 H new ATOM 0 H8 G B 11 -4.249 -4.071 12.521 1.00 0.00 H new ATOM 0 H1 G B 11 -3.888 2.171 14.014 1.00 0.00 H new ATOM 0 H21 G B 11 -7.373 2.051 13.873 1.00 0.00 H new ATOM 0 H22 G B 11 -5.928 3.026 14.154 1.00 0.00 H new ATOM 357 P G B 12 -7.785 -2.718 8.059 1.00 0.00 P ATOM 358 OP1 G B 12 -8.647 -3.159 6.940 1.00 0.00 O ATOM 359 OP2 G B 12 -6.327 -2.580 7.850 1.00 0.00 O ATOM 360 O5' G B 12 -8.350 -1.297 8.591 1.00 0.00 O ATOM 361 C5' G B 12 -9.742 -1.067 8.725 1.00 0.00 C ATOM 362 C4' G B 12 -9.990 0.395 9.125 1.00 0.00 C ATOM 363 O4' G B 12 -9.349 0.719 10.362 1.00 0.00 O ATOM 364 C3' G B 12 -9.428 1.364 8.102 1.00 0.00 C ATOM 365 O3' G B 12 -10.304 1.553 7.007 1.00 0.00 O ATOM 366 C2' G B 12 -9.332 2.614 8.938 1.00 0.00 C ATOM 367 O2' G B 12 -10.625 3.159 9.114 1.00 0.00 O ATOM 368 C1' G B 12 -8.858 2.068 10.274 1.00 0.00 C ATOM 369 N9 G B 12 -7.384 2.059 10.344 1.00 0.00 N ATOM 370 C8 G B 12 -6.540 0.987 10.286 1.00 0.00 C ATOM 371 N7 G B 12 -5.281 1.290 10.442 1.00 0.00 N ATOM 372 C5 G B 12 -5.289 2.671 10.614 1.00 0.00 C ATOM 373 C6 G B 12 -4.206 3.573 10.830 1.00 0.00 C ATOM 374 O6 G B 12 -3.009 3.317 10.922 1.00 0.00 O ATOM 375 N1 G B 12 -4.646 4.888 10.932 1.00 0.00 N ATOM 376 C2 G B 12 -5.964 5.288 10.859 1.00 0.00 C ATOM 377 N2 G B 12 -6.200 6.598 10.979 1.00 0.00 N ATOM 378 N3 G B 12 -6.985 4.443 10.669 1.00 0.00 N ATOM 379 C4 G B 12 -6.575 3.153 10.551 1.00 0.00 C ATOM 0 H5' G B 12 -10.160 -1.736 9.478 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.249 -1.288 7.786 1.00 0.00 H new ATOM 0 H4' G B 12 -11.073 0.491 9.202 1.00 0.00 H new ATOM 0 H3' G B 12 -8.495 1.037 7.643 1.00 0.00 H new ATOM 0 H2' G B 12 -8.693 3.385 8.507 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.206 2.867 8.381 1.00 0.00 H new ATOM 0 H1' G B 12 -9.225 2.688 11.092 1.00 0.00 H new ATOM 0 H8 G B 12 -6.885 -0.024 10.125 1.00 0.00 H new ATOM 0 H1 G B 12 -3.941 5.612 11.071 1.00 0.00 H new ATOM 0 H21 G B 12 -7.156 6.950 10.933 1.00 0.00 H new ATOM 0 H22 G B 12 -5.424 7.245 11.117 1.00 0.00 H new ATOM 391 P U B 13 -9.754 2.100 5.593 1.00 0.00 P ATOM 392 OP1 U B 13 -10.919 2.467 4.757 1.00 0.00 O ATOM 393 OP2 U B 13 -8.766 1.123 5.086 1.00 0.00 O ATOM 394 O5' U B 13 -8.962 3.451 5.976 1.00 0.00 O ATOM 395 C5' U B 13 -9.641 4.659 6.245 1.00 0.00 C ATOM 396 C4' U B 13 -8.616 5.775 6.495 1.00 0.00 C ATOM 397 O4' U B 13 -7.878 5.615 7.713 1.00 0.00 O ATOM 398 C3' U B 13 -7.594 5.869 5.398 1.00 0.00 C ATOM 399 O3' U B 13 -8.104 6.490 4.233 1.00 0.00 O ATOM 400 C2' U B 13 -6.581 6.726 6.104 1.00 0.00 C ATOM 401 O2' U B 13 -7.045 8.057 6.201 1.00 0.00 O ATOM 402 C1' U B 13 -6.547 6.114 7.482 1.00 0.00 C ATOM 403 N1 U B 13 -5.588 4.987 7.527 1.00 0.00 N ATOM 404 C2 U B 13 -4.254 5.257 7.811 1.00 0.00 C ATOM 405 O2 U B 13 -3.833 6.399 7.992 1.00 0.00 O ATOM 406 N3 U B 13 -3.413 4.157 7.881 1.00 0.00 N ATOM 407 C4 U B 13 -3.783 2.834 7.690 1.00 0.00 C ATOM 408 O4 U B 13 -2.953 1.934 7.772 1.00 0.00 O ATOM 409 C5 U B 13 -5.188 2.653 7.401 1.00 0.00 C ATOM 410 C6 U B 13 -6.025 3.714 7.333 1.00 0.00 C ATOM 0 H5' U B 13 -10.286 4.541 7.116 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.284 4.922 5.405 1.00 0.00 H new ATOM 0 H4' U B 13 -9.229 6.675 6.545 1.00 0.00 H new ATOM 0 H3' U B 13 -7.225 4.916 5.019 1.00 0.00 H new ATOM 0 H2' U B 13 -5.616 6.759 5.599 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.376 8.604 6.664 1.00 0.00 H new ATOM 0 H1' U B 13 -6.237 6.842 8.232 1.00 0.00 H new ATOM 0 H3 U B 13 -2.432 4.337 8.092 1.00 0.00 H new ATOM 0 H5 U B 13 -5.575 1.658 7.237 1.00 0.00 H new ATOM 0 H6 U B 13 -7.070 3.545 7.119 1.00 0.00 H new ATOM 421 P C B 14 -7.316 6.382 2.829 1.00 0.00 P ATOM 422 OP1 C B 14 -8.022 7.221 1.836 1.00 0.00 O ATOM 423 OP2 C B 14 -7.082 4.949 2.547 1.00 0.00 O ATOM 424 O5' C B 14 -5.895 7.064 3.145 1.00 0.00 O ATOM 425 C5' C B 14 -5.772 8.462 3.271 1.00 0.00 C ATOM 426 C4' C B 14 -4.333 8.808 3.656 1.00 0.00 C ATOM 427 O4' C B 14 -3.962 8.218 4.902 1.00 0.00 O ATOM 428 C3' C B 14 -3.326 8.291 2.650 1.00 0.00 C ATOM 429 O3' C B 14 -3.248 9.095 1.491 1.00 0.00 O ATOM 430 C2' C B 14 -2.069 8.372 3.478 1.00 0.00 C ATOM 431 O2' C B 14 -1.648 9.716 3.590 1.00 0.00 O ATOM 432 C1' C B 14 -2.562 7.900 4.841 1.00 0.00 C ATOM 433 N1 C B 14 -2.349 6.435 4.968 1.00 0.00 N ATOM 434 C2 C B 14 -1.059 6.010 5.246 1.00 0.00 C ATOM 435 O2 C B 14 -0.162 6.832 5.415 1.00 0.00 O ATOM 436 N3 C B 14 -0.819 4.672 5.321 1.00 0.00 N ATOM 437 C4 C B 14 -1.803 3.785 5.126 1.00 0.00 C ATOM 438 N4 C B 14 -1.521 2.481 5.203 1.00 0.00 N ATOM 439 C5 C B 14 -3.144 4.208 4.847 1.00 0.00 C ATOM 440 C6 C B 14 -3.367 5.538 4.784 1.00 0.00 C ATOM 0 H5' C B 14 -6.463 8.833 4.028 1.00 0.00 H new ATOM 0 H5'' C B 14 -6.037 8.948 2.332 1.00 0.00 H new ATOM 0 H4' C B 14 -4.315 9.897 3.704 1.00 0.00 H new ATOM 0 H3' C B 14 -3.555 7.304 2.248 1.00 0.00 H new ATOM 0 H2' C B 14 -1.236 7.802 3.067 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.108 10.260 2.917 1.00 0.00 H new ATOM 0 H1' C B 14 -2.023 8.384 5.655 1.00 0.00 H new ATOM 0 H41 C B 14 -2.257 1.790 5.057 1.00 0.00 H new ATOM 0 H42 C B 14 -0.569 2.176 5.407 1.00 0.00 H new ATOM 0 H5 C B 14 -3.940 3.495 4.694 1.00 0.00 H new ATOM 0 H6 C B 14 -4.365 5.900 4.585 1.00 0.00 H new ATOM 452 P U B 15 -2.527 8.547 0.154 1.00 0.00 P ATOM 453 OP1 U B 15 -2.556 9.625 -0.859 1.00 0.00 O ATOM 454 OP2 U B 15 -3.111 7.226 -0.166 1.00 0.00 O ATOM 455 O5' U B 15 -0.993 8.317 0.598 1.00 0.00 O ATOM 456 C5' U B 15 -0.111 9.408 0.766 1.00 0.00 C ATOM 457 C4' U B 15 1.288 8.886 1.103 1.00 0.00 C ATOM 458 O4' U B 15 1.299 8.121 2.313 1.00 0.00 O ATOM 459 C3' U B 15 1.816 7.941 0.044 1.00 0.00 C ATOM 460 O3' U B 15 2.273 8.606 -1.119 1.00 0.00 O ATOM 461 C2' U B 15 2.947 7.318 0.812 1.00 0.00 C ATOM 462 O2' U B 15 4.016 8.234 0.915 1.00 0.00 O ATOM 463 C1' U B 15 2.339 7.131 2.193 1.00 0.00 C ATOM 464 N1 U B 15 1.791 5.756 2.342 1.00 0.00 N ATOM 465 C2 U B 15 2.703 4.735 2.576 1.00 0.00 C ATOM 466 O2 U B 15 3.913 4.940 2.638 1.00 0.00 O ATOM 467 N3 U B 15 2.177 3.466 2.738 1.00 0.00 N ATOM 468 C4 U B 15 0.836 3.127 2.684 1.00 0.00 C ATOM 469 O4 U B 15 0.483 1.959 2.831 1.00 0.00 O ATOM 470 C5 U B 15 -0.049 4.249 2.450 1.00 0.00 C ATOM 471 C6 U B 15 0.442 5.503 2.293 1.00 0.00 C ATOM 0 H5' U B 15 -0.469 10.060 1.563 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.078 10.006 -0.145 1.00 0.00 H new ATOM 0 H4' U B 15 1.901 9.784 1.185 1.00 0.00 H new ATOM 0 H3' U B 15 1.074 7.248 -0.353 1.00 0.00 H new ATOM 0 H2' U B 15 3.331 6.405 0.356 1.00 0.00 H new ATOM 0 HO2' U B 15 4.751 7.824 1.417 1.00 0.00 H new ATOM 0 H1' U B 15 3.086 7.255 2.977 1.00 0.00 H new ATOM 0 H3 U B 15 2.839 2.710 2.914 1.00 0.00 H new ATOM 0 H5 U B 15 -1.115 4.085 2.400 1.00 0.00 H new ATOM 0 H6 U B 15 -0.243 6.321 2.126 1.00 0.00 H new ATOM 482 P C B 16 2.655 7.769 -2.451 1.00 0.00 P ATOM 483 OP1 C B 16 3.105 8.727 -3.485 1.00 0.00 O ATOM 484 OP2 C B 16 1.535 6.847 -2.744 1.00 0.00 O ATOM 485 O5' C B 16 3.927 6.878 -2.007 1.00 0.00 O ATOM 486 C5' C B 16 5.209 7.457 -1.872 1.00 0.00 C ATOM 487 C4' C B 16 6.223 6.379 -1.471 1.00 0.00 C ATOM 488 O4' C B 16 5.878 5.754 -0.239 1.00 0.00 O ATOM 489 C3' C B 16 6.286 5.243 -2.467 1.00 0.00 C ATOM 490 O3' C B 16 6.989 5.586 -3.642 1.00 0.00 O ATOM 491 C2' C B 16 7.010 4.203 -1.658 1.00 0.00 C ATOM 492 O2' C B 16 8.390 4.505 -1.603 1.00 0.00 O ATOM 493 C1' C B 16 6.388 4.406 -0.275 1.00 0.00 C ATOM 494 N1 C B 16 5.290 3.422 -0.076 1.00 0.00 N ATOM 495 C2 C B 16 5.648 2.119 0.252 1.00 0.00 C ATOM 496 O2 C B 16 6.831 1.819 0.395 1.00 0.00 O ATOM 497 N3 C B 16 4.657 1.195 0.407 1.00 0.00 N ATOM 498 C4 C B 16 3.370 1.533 0.246 1.00 0.00 C ATOM 499 N4 C B 16 2.429 0.599 0.417 1.00 0.00 N ATOM 500 C5 C B 16 2.987 2.869 -0.098 1.00 0.00 C ATOM 501 C6 C B 16 3.980 3.772 -0.245 1.00 0.00 C ATOM 0 H5' C B 16 5.185 8.245 -1.120 1.00 0.00 H new ATOM 0 H5'' C B 16 5.510 7.921 -2.811 1.00 0.00 H new ATOM 0 H4' C B 16 7.170 6.914 -1.411 1.00 0.00 H new ATOM 0 H3' C B 16 5.313 4.929 -2.845 1.00 0.00 H new ATOM 0 H2' C B 16 6.924 3.191 -2.053 1.00 0.00 H new ATOM 0 HO2' C B 16 8.621 5.113 -2.336 1.00 0.00 H new ATOM 0 HO3' C B 16 7.002 4.818 -4.251 1.00 0.00 H new ATOM 0 H1' C B 16 7.119 4.256 0.520 1.00 0.00 H new ATOM 0 H41 C B 16 1.445 0.839 0.298 1.00 0.00 H new ATOM 0 H42 C B 16 2.695 -0.354 0.666 1.00 0.00 H new ATOM 0 H5 C B 16 1.951 3.142 -0.234 1.00 0.00 H new ATOM 0 H6 C B 16 3.734 4.792 -0.501 1.00 0.00 H new TER 514 C B 16