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 -77:sc= 0.17 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0061 USER MOD Single : A 2 G O2' : rot -17:sc= -0.173 USER MOD Single : A 3 A O2' : rot -30:sc= 0.146 USER MOD Single : A 4 U O2' : rot -170:sc= -0.3 USER MOD Single : A 5 G O2' : rot -7:sc= 0.0678 USER MOD Single : A 6 U O2' : rot -17:sc= -0.475 USER MOD Single : A 7 C O2' : rot 180:sc= -0.249 USER MOD Single : A 8 C O2' : rot -32:sc= 0.13 USER MOD Single : A 8 C O3' : rot 180:sc= 0.156 USER MOD Single : B 9 G O2' : rot -76:sc= 0.138 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot -17:sc= -0.186 USER MOD Single : B 11 A O2' : rot -24:sc= 0.154 USER MOD Single : B 12 U O2' : rot 180:sc= -0.286 USER MOD Single : B 13 G O2' : rot -5:sc= 0.0617 USER MOD Single : B 14 U O2' : rot -14:sc= -0.468 USER MOD Single : B 15 C O2' : rot 180:sc= -0.234 USER MOD Single : B 16 C O2' : rot -30:sc= 0.139 USER MOD Single : B 16 C O3' : rot 180:sc= 0.152 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.793 -8.639 4.307 1.00 0.00 O ATOM 2 C5' G A 1 8.176 -8.781 4.057 1.00 0.00 C ATOM 3 C4' G A 1 8.817 -7.409 3.825 1.00 0.00 C ATOM 4 O4' G A 1 8.256 -6.758 2.693 1.00 0.00 O ATOM 5 C3' G A 1 8.590 -6.447 4.971 1.00 0.00 C ATOM 6 O3' G A 1 9.419 -6.726 6.083 1.00 0.00 O ATOM 7 C2' G A 1 8.947 -5.139 4.304 1.00 0.00 C ATOM 8 O2' G A 1 10.353 -5.000 4.257 1.00 0.00 O ATOM 9 C1' G A 1 8.422 -5.345 2.879 1.00 0.00 C ATOM 10 N9 G A 1 7.123 -4.661 2.709 1.00 0.00 N ATOM 11 C8 G A 1 5.856 -5.176 2.809 1.00 0.00 C ATOM 12 N7 G A 1 4.911 -4.306 2.582 1.00 0.00 N ATOM 13 C5 G A 1 5.599 -3.127 2.313 1.00 0.00 C ATOM 14 C6 G A 1 5.102 -1.829 1.990 1.00 0.00 C ATOM 15 O6 G A 1 3.934 -1.466 1.876 1.00 0.00 O ATOM 16 N1 G A 1 6.136 -0.919 1.793 1.00 0.00 N ATOM 17 C2 G A 1 7.479 -1.214 1.898 1.00 0.00 C ATOM 18 N2 G A 1 8.334 -0.209 1.686 1.00 0.00 N ATOM 19 N3 G A 1 7.948 -2.430 2.199 1.00 0.00 N ATOM 20 C4 G A 1 6.955 -3.334 2.392 1.00 0.00 C ATOM 0 H5' G A 1 8.332 -9.415 3.184 1.00 0.00 H new ATOM 0 H5'' G A 1 8.656 -9.277 4.901 1.00 0.00 H new ATOM 0 H4' G A 1 9.878 -7.627 3.701 1.00 0.00 H new ATOM 0 H3' G A 1 7.587 -6.481 5.397 1.00 0.00 H new ATOM 0 H2' G A 1 8.543 -4.263 4.811 1.00 0.00 H new ATOM 0 HO2' G A 1 10.686 -4.742 5.142 1.00 0.00 H new ATOM 0 HO5' G A 1 6.394 -9.522 4.452 1.00 0.00 H new ATOM 0 H1' G A 1 9.117 -4.932 2.148 1.00 0.00 H new ATOM 0 H8 G A 1 5.658 -6.209 3.054 1.00 0.00 H new ATOM 0 H1 G A 1 5.881 0.039 1.553 1.00 0.00 H new ATOM 0 H21 G A 1 9.339 -0.372 1.751 1.00 0.00 H new ATOM 0 H22 G A 1 7.982 0.721 1.459 1.00 0.00 H new ATOM 33 P G A 2 9.243 -5.910 7.461 1.00 0.00 P ATOM 34 OP1 G A 2 10.213 -6.440 8.445 1.00 0.00 O ATOM 35 OP2 G A 2 7.801 -5.878 7.791 1.00 0.00 O ATOM 36 O5' G A 2 9.702 -4.423 7.051 1.00 0.00 O ATOM 37 C5' G A 2 9.162 -3.296 7.704 1.00 0.00 C ATOM 38 C4' G A 2 9.694 -2.022 7.047 1.00 0.00 C ATOM 39 O4' G A 2 9.322 -1.968 5.665 1.00 0.00 O ATOM 40 C3' G A 2 9.091 -0.785 7.685 1.00 0.00 C ATOM 41 O3' G A 2 9.760 -0.408 8.875 1.00 0.00 O ATOM 42 C2' G A 2 9.281 0.216 6.571 1.00 0.00 C ATOM 43 O2' G A 2 10.640 0.590 6.480 1.00 0.00 O ATOM 44 C1' G A 2 8.915 -0.629 5.356 1.00 0.00 C ATOM 45 N9 G A 2 7.449 -0.606 5.158 1.00 0.00 N ATOM 46 C8 G A 2 6.541 -1.614 5.358 1.00 0.00 C ATOM 47 N7 G A 2 5.308 -1.275 5.111 1.00 0.00 N ATOM 48 C5 G A 2 5.400 0.054 4.711 1.00 0.00 C ATOM 49 C6 G A 2 4.375 0.957 4.307 1.00 0.00 C ATOM 50 O6 G A 2 3.165 0.754 4.238 1.00 0.00 O ATOM 51 N1 G A 2 4.893 2.200 3.963 1.00 0.00 N ATOM 52 C2 G A 2 6.229 2.537 3.999 1.00 0.00 C ATOM 53 N2 G A 2 6.544 3.783 3.629 1.00 0.00 N ATOM 54 N3 G A 2 7.195 1.693 4.383 1.00 0.00 N ATOM 55 C4 G A 2 6.709 0.471 4.724 1.00 0.00 C ATOM 0 H5' G A 2 9.429 -3.312 8.761 1.00 0.00 H new ATOM 0 H5'' G A 2 8.074 -3.318 7.650 1.00 0.00 H new ATOM 0 H4' G A 2 10.777 -2.044 7.170 1.00 0.00 H new ATOM 0 H3' G A 2 8.059 -0.903 8.015 1.00 0.00 H new ATOM 0 H2' G A 2 8.706 1.134 6.690 1.00 0.00 H new ATOM 0 HO2' G A 2 11.105 0.338 7.305 1.00 0.00 H new ATOM 0 H1' G A 2 9.395 -0.254 4.452 1.00 0.00 H new ATOM 0 H8 G A 2 6.823 -2.602 5.691 1.00 0.00 H new ATOM 0 H1 G A 2 4.234 2.918 3.661 1.00 0.00 H new ATOM 0 H21 G A 2 7.518 4.086 3.637 1.00 0.00 H new ATOM 0 H22 G A 2 5.810 4.430 3.339 1.00 0.00 H new ATOM 67 P A A 3 9.045 0.552 9.966 1.00 0.00 P ATOM 68 OP1 A A 3 10.003 0.783 11.069 1.00 0.00 O ATOM 69 OP2 A A 3 7.710 -0.014 10.262 1.00 0.00 O ATOM 70 O5' A A 3 8.832 1.947 9.188 1.00 0.00 O ATOM 71 C5' A A 3 9.928 2.773 8.866 1.00 0.00 C ATOM 72 C4' A A 3 9.434 4.012 8.116 1.00 0.00 C ATOM 73 O4' A A 3 8.708 3.644 6.941 1.00 0.00 O ATOM 74 C3' A A 3 8.478 4.867 8.926 1.00 0.00 C ATOM 75 O3' A A 3 9.152 5.721 9.829 1.00 0.00 O ATOM 76 C2' A A 3 7.791 5.646 7.841 1.00 0.00 C ATOM 77 O2' A A 3 8.642 6.674 7.376 1.00 0.00 O ATOM 78 C1' A A 3 7.640 4.590 6.755 1.00 0.00 C ATOM 79 N9 A A 3 6.332 3.908 6.894 1.00 0.00 N ATOM 80 C8 A A 3 6.061 2.619 7.283 1.00 0.00 C ATOM 81 N7 A A 3 4.795 2.307 7.241 1.00 0.00 N ATOM 82 C5 A A 3 4.180 3.475 6.809 1.00 0.00 C ATOM 83 C6 A A 3 2.835 3.808 6.563 1.00 0.00 C ATOM 84 N6 A A 3 1.826 2.942 6.713 1.00 0.00 N ATOM 85 N1 A A 3 2.567 5.066 6.167 1.00 0.00 N ATOM 86 C2 A A 3 3.571 5.925 6.016 1.00 0.00 C ATOM 87 N3 A A 3 4.870 5.731 6.202 1.00 0.00 N ATOM 88 C4 A A 3 5.107 4.461 6.607 1.00 0.00 C ATOM 0 H5' A A 3 10.642 2.224 8.252 1.00 0.00 H new ATOM 0 H5'' A A 3 10.452 3.070 9.775 1.00 0.00 H new ATOM 0 H4' A A 3 10.341 4.572 7.891 1.00 0.00 H new ATOM 0 H3' A A 3 7.808 4.290 9.563 1.00 0.00 H new ATOM 0 H2' A A 3 6.858 6.117 8.152 1.00 0.00 H new ATOM 0 HO2' A A 3 9.228 6.968 8.105 1.00 0.00 H new ATOM 0 H1' A A 3 7.684 5.039 5.763 1.00 0.00 H new ATOM 0 H8 A A 3 6.828 1.926 7.596 1.00 0.00 H new ATOM 0 H61 A A 3 0.868 3.236 6.521 1.00 0.00 H new ATOM 0 H62 A A 3 2.014 1.988 7.020 1.00 0.00 H new ATOM 0 H2 A A 3 3.290 6.918 5.698 1.00 0.00 H new ATOM 100 P U A 4 8.783 5.716 11.390 1.00 0.00 P ATOM 101 OP1 U A 4 9.756 6.569 12.107 1.00 0.00 O ATOM 102 OP2 U A 4 8.562 4.318 11.819 1.00 0.00 O ATOM 103 O5' U A 4 7.366 6.476 11.357 1.00 0.00 O ATOM 104 C5' U A 4 7.301 7.853 11.040 1.00 0.00 C ATOM 105 C4' U A 4 5.850 8.265 10.793 1.00 0.00 C ATOM 106 O4' U A 4 5.311 7.576 9.668 1.00 0.00 O ATOM 107 C3' U A 4 4.935 7.925 11.949 1.00 0.00 C ATOM 108 O3' U A 4 5.051 8.853 13.012 1.00 0.00 O ATOM 109 C2' U A 4 3.594 8.006 11.259 1.00 0.00 C ATOM 110 O2' U A 4 3.230 9.358 11.089 1.00 0.00 O ATOM 111 C1' U A 4 3.902 7.413 9.882 1.00 0.00 C ATOM 112 N1 U A 4 3.539 5.975 9.849 1.00 0.00 N ATOM 113 C2 U A 4 2.204 5.670 9.640 1.00 0.00 C ATOM 114 O2 U A 4 1.355 6.545 9.488 1.00 0.00 O ATOM 115 N3 U A 4 1.876 4.323 9.610 1.00 0.00 N ATOM 116 C4 U A 4 2.761 3.269 9.778 1.00 0.00 C ATOM 117 O4 U A 4 2.363 2.108 9.745 1.00 0.00 O ATOM 118 C5 U A 4 4.137 3.679 9.975 1.00 0.00 C ATOM 119 C6 U A 4 4.479 4.988 10.001 1.00 0.00 C ATOM 0 H5' U A 4 7.902 8.059 10.154 1.00 0.00 H new ATOM 0 H5'' U A 4 7.721 8.442 11.855 1.00 0.00 H new ATOM 0 H4' U A 4 5.887 9.344 10.643 1.00 0.00 H new ATOM 0 H3' U A 4 5.141 6.969 12.430 1.00 0.00 H new ATOM 0 H2' U A 4 2.792 7.507 11.803 1.00 0.00 H new ATOM 0 HO2' U A 4 2.298 9.411 10.789 1.00 0.00 H new ATOM 0 H1' U A 4 3.328 7.914 9.103 1.00 0.00 H new ATOM 0 H3 U A 4 0.897 4.087 9.450 1.00 0.00 H new ATOM 0 H5 U A 4 4.902 2.927 10.103 1.00 0.00 H new ATOM 0 H6 U A 4 5.514 5.261 10.144 1.00 0.00 H new ATOM 130 P G A 5 4.302 8.598 14.418 1.00 0.00 P ATOM 131 OP1 G A 5 4.710 9.665 15.358 1.00 0.00 O ATOM 132 OP2 G A 5 4.496 7.179 14.788 1.00 0.00 O ATOM 133 O5' G A 5 2.746 8.814 14.061 1.00 0.00 O ATOM 134 C5' G A 5 2.216 10.112 13.867 1.00 0.00 C ATOM 135 C4' G A 5 0.728 10.001 13.530 1.00 0.00 C ATOM 136 O4' G A 5 0.521 9.226 12.354 1.00 0.00 O ATOM 137 C3' G A 5 -0.039 9.271 14.611 1.00 0.00 C ATOM 138 O3' G A 5 -0.317 10.098 15.731 1.00 0.00 O ATOM 139 C2' G A 5 -1.291 8.899 13.858 1.00 0.00 C ATOM 140 O2' G A 5 -2.191 9.986 13.853 1.00 0.00 O ATOM 141 C1' G A 5 -0.794 8.664 12.437 1.00 0.00 C ATOM 142 N9 G A 5 -0.768 7.216 12.165 1.00 0.00 N ATOM 143 C8 G A 5 0.277 6.343 12.258 1.00 0.00 C ATOM 144 N7 G A 5 -0.035 5.107 11.975 1.00 0.00 N ATOM 145 C5 G A 5 -1.394 5.166 11.678 1.00 0.00 C ATOM 146 C6 G A 5 -2.303 4.130 11.305 1.00 0.00 C ATOM 147 O6 G A 5 -2.082 2.932 11.139 1.00 0.00 O ATOM 148 N1 G A 5 -3.585 4.623 11.123 1.00 0.00 N ATOM 149 C2 G A 5 -3.961 5.938 11.267 1.00 0.00 C ATOM 150 N2 G A 5 -5.248 6.219 11.041 1.00 0.00 N ATOM 151 N3 G A 5 -3.115 6.914 11.611 1.00 0.00 N ATOM 152 C4 G A 5 -1.851 6.456 11.801 1.00 0.00 C ATOM 0 H5' G A 5 2.747 10.618 13.061 1.00 0.00 H new ATOM 0 H5'' G A 5 2.354 10.713 14.766 1.00 0.00 H new ATOM 0 H4' G A 5 0.383 11.028 13.413 1.00 0.00 H new ATOM 0 H3' G A 5 0.496 8.428 15.049 1.00 0.00 H new ATOM 0 H2' G A 5 -1.806 8.042 14.292 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.849 10.697 14.434 1.00 0.00 H new ATOM 0 H1' G A 5 -1.446 9.131 11.699 1.00 0.00 H new ATOM 0 H8 G A 5 1.274 6.648 12.541 1.00 0.00 H new ATOM 0 H1 G A 5 -4.310 3.955 10.860 1.00 0.00 H new ATOM 0 H21 G A 5 -5.584 7.178 11.133 1.00 0.00 H new ATOM 0 H22 G A 5 -5.894 5.475 10.777 1.00 0.00 H new ATOM 164 P U A 6 -0.841 9.464 17.125 1.00 0.00 P ATOM 165 OP1 U A 6 -0.972 10.564 18.106 1.00 0.00 O ATOM 166 OP2 U A 6 0.016 8.301 17.441 1.00 0.00 O ATOM 167 O5' U A 6 -2.324 8.911 16.795 1.00 0.00 O ATOM 168 C5' U A 6 -3.444 9.775 16.772 1.00 0.00 C ATOM 169 C4' U A 6 -4.727 8.961 16.531 1.00 0.00 C ATOM 170 O4' U A 6 -4.719 8.320 15.249 1.00 0.00 O ATOM 171 C3' U A 6 -4.902 7.833 17.537 1.00 0.00 C ATOM 172 O3' U A 6 -5.412 8.263 18.782 1.00 0.00 O ATOM 173 C2' U A 6 -5.904 6.982 16.804 1.00 0.00 C ATOM 174 O2' U A 6 -7.182 7.583 16.862 1.00 0.00 O ATOM 175 C1' U A 6 -5.403 7.055 15.376 1.00 0.00 C ATOM 176 N1 U A 6 -4.470 5.937 15.085 1.00 0.00 N ATOM 177 C2 U A 6 -5.004 4.776 14.543 1.00 0.00 C ATOM 178 O2 U A 6 -6.210 4.630 14.361 1.00 0.00 O ATOM 179 N3 U A 6 -4.098 3.783 14.215 1.00 0.00 N ATOM 180 C4 U A 6 -2.724 3.847 14.375 1.00 0.00 C ATOM 181 O4 U A 6 -2.014 2.894 14.064 1.00 0.00 O ATOM 182 C5 U A 6 -2.254 5.098 14.926 1.00 0.00 C ATOM 183 C6 U A 6 -3.122 6.077 15.264 1.00 0.00 C ATOM 0 H5' U A 6 -3.323 10.521 15.986 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.517 10.315 17.716 1.00 0.00 H new ATOM 0 H4' U A 6 -5.531 9.692 16.616 1.00 0.00 H new ATOM 0 H3' U A 6 -3.968 7.341 17.810 1.00 0.00 H new ATOM 0 H2' U A 6 -5.994 5.973 17.207 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.195 8.255 17.575 1.00 0.00 H new ATOM 0 H1' U A 6 -6.230 6.974 14.670 1.00 0.00 H new ATOM 0 H3 U A 6 -4.478 2.923 13.818 1.00 0.00 H new ATOM 0 H5 U A 6 -1.195 5.252 15.069 1.00 0.00 H new ATOM 0 H6 U A 6 -2.741 6.995 15.687 1.00 0.00 H new ATOM 194 P C A 7 -5.387 7.273 20.063 1.00 0.00 P ATOM 195 OP1 C A 7 -6.096 7.944 21.175 1.00 0.00 O ATOM 196 OP2 C A 7 -3.993 6.818 20.253 1.00 0.00 O ATOM 197 O5' C A 7 -6.269 5.995 19.602 1.00 0.00 O ATOM 198 C5' C A 7 -7.682 6.048 19.584 1.00 0.00 C ATOM 199 C4' C A 7 -8.255 4.684 19.172 1.00 0.00 C ATOM 200 O4' C A 7 -7.837 4.289 17.859 1.00 0.00 O ATOM 201 C3' C A 7 -7.781 3.568 20.075 1.00 0.00 C ATOM 202 O3' C A 7 -8.440 3.571 21.329 1.00 0.00 O ATOM 203 C2' C A 7 -8.157 2.370 19.232 1.00 0.00 C ATOM 204 O2' C A 7 -9.549 2.150 19.315 1.00 0.00 O ATOM 205 C1' C A 7 -7.822 2.845 17.816 1.00 0.00 C ATOM 206 N1 C A 7 -6.484 2.333 17.409 1.00 0.00 N ATOM 207 C2 C A 7 -6.397 0.992 17.041 1.00 0.00 C ATOM 208 O2 C A 7 -7.399 0.279 17.049 1.00 0.00 O ATOM 209 N3 C A 7 -5.180 0.498 16.677 1.00 0.00 N ATOM 210 C4 C A 7 -4.092 1.281 16.678 1.00 0.00 C ATOM 211 N4 C A 7 -2.918 0.759 16.312 1.00 0.00 N ATOM 212 C5 C A 7 -4.166 2.660 17.052 1.00 0.00 C ATOM 213 C6 C A 7 -5.379 3.139 17.401 1.00 0.00 C ATOM 0 H5' C A 7 -8.016 6.817 18.888 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.056 6.326 20.569 1.00 0.00 H new ATOM 0 H4' C A 7 -9.335 4.823 19.228 1.00 0.00 H new ATOM 0 H3' C A 7 -6.728 3.621 20.351 1.00 0.00 H new ATOM 0 H2' C A 7 -7.654 1.451 19.532 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.791 1.374 18.767 1.00 0.00 H new ATOM 0 H1' C A 7 -8.540 2.474 17.085 1.00 0.00 H new ATOM 0 H41 C A 7 -2.080 1.341 16.307 1.00 0.00 H new ATOM 0 H42 C A 7 -2.859 -0.222 16.037 1.00 0.00 H new ATOM 0 H5 C A 7 -3.289 3.291 17.055 1.00 0.00 H new ATOM 0 H6 C A 7 -5.479 4.178 17.679 1.00 0.00 H new ATOM 225 P C A 8 -7.898 2.664 22.548 1.00 0.00 P ATOM 226 OP1 C A 8 -8.777 2.889 23.717 1.00 0.00 O ATOM 227 OP2 C A 8 -6.442 2.890 22.671 1.00 0.00 O ATOM 228 O5' C A 8 -8.124 1.153 22.039 1.00 0.00 O ATOM 229 C5' C A 8 -9.406 0.561 22.058 1.00 0.00 C ATOM 230 C4' C A 8 -9.296 -0.886 21.570 1.00 0.00 C ATOM 231 O4' C A 8 -8.829 -0.951 20.230 1.00 0.00 O ATOM 232 C3' C A 8 -8.275 -1.673 22.357 1.00 0.00 C ATOM 233 O3' C A 8 -8.738 -2.053 23.635 1.00 0.00 O ATOM 234 C2' C A 8 -8.063 -2.851 21.455 1.00 0.00 C ATOM 235 O2' C A 8 -9.129 -3.767 21.594 1.00 0.00 O ATOM 236 C1' C A 8 -8.127 -2.197 20.079 1.00 0.00 C ATOM 237 N1 C A 8 -6.745 -1.965 19.603 1.00 0.00 N ATOM 238 C2 C A 8 -6.106 -3.013 18.950 1.00 0.00 C ATOM 239 O2 C A 8 -6.710 -4.058 18.715 1.00 0.00 O ATOM 240 N3 C A 8 -4.803 -2.850 18.588 1.00 0.00 N ATOM 241 C4 C A 8 -4.152 -1.712 18.863 1.00 0.00 C ATOM 242 N4 C A 8 -2.874 -1.592 18.488 1.00 0.00 N ATOM 243 C5 C A 8 -4.794 -0.634 19.554 1.00 0.00 C ATOM 244 C6 C A 8 -6.084 -0.808 19.898 1.00 0.00 C ATOM 0 H5' C A 8 -10.089 1.122 21.420 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.818 0.587 23.067 1.00 0.00 H new ATOM 0 H4' C A 8 -10.301 -1.293 21.681 1.00 0.00 H new ATOM 0 H3' C A 8 -7.369 -1.112 22.585 1.00 0.00 H new ATOM 0 H2' C A 8 -7.145 -3.405 21.653 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.461 -3.745 22.516 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.039 -2.560 24.099 1.00 0.00 H new ATOM 0 H1' C A 8 -8.643 -2.826 19.353 1.00 0.00 H new ATOM 0 H41 C A 8 -2.362 -0.733 18.689 1.00 0.00 H new ATOM 0 H42 C A 8 -2.411 -2.360 18.001 1.00 0.00 H new ATOM 0 H5 C A 8 -4.266 0.279 19.789 1.00 0.00 H new ATOM 0 H6 C A 8 -6.605 -0.017 20.417 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 1.925 -10.764 15.129 1.00 0.00 O ATOM 259 C5' G B 9 1.151 -11.927 15.335 1.00 0.00 C ATOM 260 C4' G B 9 -0.315 -11.553 15.581 1.00 0.00 C ATOM 261 O4' G B 9 -0.457 -10.751 16.746 1.00 0.00 O ATOM 262 C3' G B 9 -0.911 -10.725 14.462 1.00 0.00 C ATOM 263 O3' G B 9 -1.244 -11.508 13.332 1.00 0.00 O ATOM 264 C2' G B 9 -2.135 -10.167 15.152 1.00 0.00 C ATOM 265 O2' G B 9 -3.155 -11.146 15.180 1.00 0.00 O ATOM 266 C1' G B 9 -1.627 -9.936 16.579 1.00 0.00 C ATOM 267 N9 G B 9 -1.275 -8.513 16.770 1.00 0.00 N ATOM 268 C8 G B 9 -0.049 -7.906 16.669 1.00 0.00 C ATOM 269 N7 G B 9 -0.070 -6.626 16.918 1.00 0.00 N ATOM 270 C5 G B 9 -1.406 -6.361 17.204 1.00 0.00 C ATOM 271 C6 G B 9 -2.044 -5.134 17.554 1.00 0.00 C ATOM 272 O6 G B 9 -1.538 -4.021 17.682 1.00 0.00 O ATOM 273 N1 G B 9 -3.408 -5.306 17.760 1.00 0.00 N ATOM 274 C2 G B 9 -4.081 -6.504 17.642 1.00 0.00 C ATOM 275 N2 G B 9 -5.398 -6.479 17.866 1.00 0.00 N ATOM 276 N3 G B 9 -3.486 -7.657 17.316 1.00 0.00 N ATOM 277 C4 G B 9 -2.152 -7.512 17.112 1.00 0.00 C ATOM 0 H5' G B 9 1.539 -12.484 16.187 1.00 0.00 H new ATOM 0 H5'' G B 9 1.226 -12.581 14.466 1.00 0.00 H new ATOM 0 H4' G B 9 -0.827 -12.511 15.669 1.00 0.00 H new ATOM 0 H3' G B 9 -0.239 -9.971 14.053 1.00 0.00 H new ATOM 0 H2' G B 9 -2.544 -9.279 14.670 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.562 -11.220 14.292 1.00 0.00 H new ATOM 0 HO5' G B 9 2.859 -11.016 14.975 1.00 0.00 H new ATOM 0 H1' G B 9 -2.394 -10.196 17.308 1.00 0.00 H new ATOM 0 H8 G B 9 0.852 -8.440 16.407 1.00 0.00 H new ATOM 0 H1 G B 9 -3.953 -4.483 18.018 1.00 0.00 H new ATOM 0 H21 G B 9 -5.944 -7.337 17.792 1.00 0.00 H new ATOM 0 H22 G B 9 -5.857 -5.602 18.111 1.00 0.00 H new ATOM 290 P G B 10 -1.748 -10.810 11.970 1.00 0.00 P ATOM 291 OP1 G B 10 -1.993 -11.870 10.967 1.00 0.00 O ATOM 292 OP2 G B 10 -0.821 -9.700 11.658 1.00 0.00 O ATOM 293 O5' G B 10 -3.167 -10.182 12.397 1.00 0.00 O ATOM 294 C5' G B 10 -3.657 -9.019 11.768 1.00 0.00 C ATOM 295 C4' G B 10 -4.963 -8.589 12.436 1.00 0.00 C ATOM 296 O4' G B 10 -4.757 -8.309 13.825 1.00 0.00 O ATOM 297 C3' G B 10 -5.491 -7.302 11.831 1.00 0.00 C ATOM 298 O3' G B 10 -6.218 -7.523 10.636 1.00 0.00 O ATOM 299 C2' G B 10 -6.364 -6.808 12.959 1.00 0.00 C ATOM 300 O2' G B 10 -7.545 -7.580 13.035 1.00 0.00 O ATOM 301 C1' G B 10 -5.485 -7.122 14.164 1.00 0.00 C ATOM 302 N9 G B 10 -4.526 -6.017 14.381 1.00 0.00 N ATOM 303 C8 G B 10 -3.169 -6.006 14.176 1.00 0.00 C ATOM 304 N7 G B 10 -2.601 -4.865 14.441 1.00 0.00 N ATOM 305 C5 G B 10 -3.653 -4.057 14.860 1.00 0.00 C ATOM 306 C6 G B 10 -3.644 -2.697 15.287 1.00 0.00 C ATOM 307 O6 G B 10 -2.688 -1.931 15.366 1.00 0.00 O ATOM 308 N1 G B 10 -4.915 -2.264 15.644 1.00 0.00 N ATOM 309 C2 G B 10 -6.055 -3.037 15.599 1.00 0.00 C ATOM 310 N2 G B 10 -7.194 -2.450 15.985 1.00 0.00 N ATOM 311 N3 G B 10 -6.070 -4.313 15.192 1.00 0.00 N ATOM 312 C4 G B 10 -4.836 -4.756 14.838 1.00 0.00 C ATOM 0 H5' G B 10 -3.824 -9.209 10.708 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.921 -8.218 11.836 1.00 0.00 H new ATOM 0 H4' G B 10 -5.664 -9.411 12.291 1.00 0.00 H new ATOM 0 H3' G B 10 -4.719 -6.599 11.517 1.00 0.00 H new ATOM 0 H2' G B 10 -6.672 -5.767 12.865 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.667 -8.075 12.198 1.00 0.00 H new ATOM 0 H1' G B 10 -6.080 -7.250 15.068 1.00 0.00 H new ATOM 0 H8 G B 10 -2.621 -6.868 13.826 1.00 0.00 H new ATOM 0 H1 G B 10 -5.012 -1.300 15.964 1.00 0.00 H new ATOM 0 H21 G B 10 -8.068 -2.975 15.972 1.00 0.00 H new ATOM 0 H22 G B 10 -7.188 -1.477 16.292 1.00 0.00 H new ATOM 324 P A B 11 -6.462 -6.324 9.574 1.00 0.00 P ATOM 325 OP1 A B 11 -7.270 -6.860 8.457 1.00 0.00 O ATOM 326 OP2 A B 11 -5.154 -5.693 9.295 1.00 0.00 O ATOM 327 O5' A B 11 -7.366 -5.259 10.378 1.00 0.00 O ATOM 328 C5' A B 11 -8.710 -5.543 10.695 1.00 0.00 C ATOM 329 C4' A B 11 -9.313 -4.371 11.473 1.00 0.00 C ATOM 330 O4' A B 11 -8.559 -4.096 12.656 1.00 0.00 O ATOM 331 C3' A B 11 -9.327 -3.070 10.694 1.00 0.00 C ATOM 332 O3' A B 11 -10.421 -2.988 9.803 1.00 0.00 O ATOM 333 C2' A B 11 -9.445 -2.060 11.800 1.00 0.00 C ATOM 334 O2' A B 11 -10.776 -2.016 12.275 1.00 0.00 O ATOM 335 C1' A B 11 -8.548 -2.673 12.868 1.00 0.00 C ATOM 336 N9 A B 11 -7.168 -2.150 12.726 1.00 0.00 N ATOM 337 C8 A B 11 -6.031 -2.800 12.311 1.00 0.00 C ATOM 338 N7 A B 11 -4.954 -2.067 12.356 1.00 0.00 N ATOM 339 C5 A B 11 -5.408 -0.838 12.819 1.00 0.00 C ATOM 340 C6 A B 11 -4.755 0.379 13.083 1.00 0.00 C ATOM 341 N6 A B 11 -3.438 0.556 12.921 1.00 0.00 N ATOM 342 N1 A B 11 -5.507 1.410 13.508 1.00 0.00 N ATOM 343 C2 A B 11 -6.816 1.233 13.670 1.00 0.00 C ATOM 344 N3 A B 11 -7.541 0.141 13.471 1.00 0.00 N ATOM 345 C4 A B 11 -6.758 -0.875 13.035 1.00 0.00 C ATOM 0 H5' A B 11 -8.769 -6.455 11.288 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.280 -5.719 9.783 1.00 0.00 H new ATOM 0 H4' A B 11 -10.333 -4.689 11.690 1.00 0.00 H new ATOM 0 H3' A B 11 -8.455 -2.938 10.054 1.00 0.00 H new ATOM 0 H2' A B 11 -9.178 -1.044 11.507 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.384 -2.335 11.575 1.00 0.00 H new ATOM 0 H1' A B 11 -8.902 -2.425 13.869 1.00 0.00 H new ATOM 0 H8 A B 11 -6.030 -3.827 11.977 1.00 0.00 H new ATOM 0 H61 A B 11 -3.016 1.461 13.128 1.00 0.00 H new ATOM 0 H62 A B 11 -2.857 -0.214 12.591 1.00 0.00 H new ATOM 0 H2 A B 11 -7.364 2.099 14.011 1.00 0.00 H new ATOM 357 P U B 12 -10.187 -2.680 8.246 1.00 0.00 P ATOM 358 OP1 U B 12 -11.479 -2.825 7.538 1.00 0.00 O ATOM 359 OP2 U B 12 -9.001 -3.435 7.788 1.00 0.00 O ATOM 360 O5' U B 12 -9.812 -1.118 8.309 1.00 0.00 O ATOM 361 C5' U B 12 -10.794 -0.162 8.659 1.00 0.00 C ATOM 362 C4' U B 12 -10.137 1.191 8.929 1.00 0.00 C ATOM 363 O4' U B 12 -9.251 1.113 10.044 1.00 0.00 O ATOM 364 C3' U B 12 -9.289 1.678 7.773 1.00 0.00 C ATOM 365 O3' U B 12 -10.075 2.241 6.738 1.00 0.00 O ATOM 366 C2' U B 12 -8.441 2.712 8.477 1.00 0.00 C ATOM 367 O2' U B 12 -9.194 3.889 8.684 1.00 0.00 O ATOM 368 C1' U B 12 -8.190 2.055 9.836 1.00 0.00 C ATOM 369 N1 U B 12 -6.878 1.363 9.837 1.00 0.00 N ATOM 370 C2 U B 12 -5.755 2.145 10.051 1.00 0.00 C ATOM 371 O2 U B 12 -5.836 3.358 10.233 1.00 0.00 O ATOM 372 N3 U B 12 -4.535 1.488 10.052 1.00 0.00 N ATOM 373 C4 U B 12 -4.346 0.129 9.850 1.00 0.00 C ATOM 374 O4 U B 12 -3.216 -0.352 9.858 1.00 0.00 O ATOM 375 C5 U B 12 -5.573 -0.615 9.650 1.00 0.00 C ATOM 376 C6 U B 12 -6.776 0.007 9.652 1.00 0.00 C ATOM 0 H5' U B 12 -11.337 -0.494 9.544 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.523 -0.067 7.854 1.00 0.00 H new ATOM 0 H4' U B 12 -10.968 1.875 9.104 1.00 0.00 H new ATOM 0 H3' U B 12 -8.722 0.900 7.262 1.00 0.00 H new ATOM 0 H2' U B 12 -7.540 2.983 7.926 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.640 4.556 9.141 1.00 0.00 H new ATOM 0 H1' U B 12 -8.169 2.799 10.632 1.00 0.00 H new ATOM 0 H3 U B 12 -3.702 2.054 10.216 1.00 0.00 H new ATOM 0 H5 U B 12 -5.528 -1.683 9.497 1.00 0.00 H new ATOM 0 H6 U B 12 -7.673 -0.576 9.505 1.00 0.00 H new ATOM 387 P G B 13 -9.413 2.651 5.326 1.00 0.00 P ATOM 388 OP1 G B 13 -10.495 3.099 4.422 1.00 0.00 O ATOM 389 OP2 G B 13 -8.514 1.553 4.907 1.00 0.00 O ATOM 390 O5' G B 13 -8.504 3.930 5.690 1.00 0.00 O ATOM 391 C5' G B 13 -9.088 5.198 5.916 1.00 0.00 C ATOM 392 C4' G B 13 -7.984 6.209 6.238 1.00 0.00 C ATOM 393 O4' G B 13 -7.252 5.823 7.396 1.00 0.00 O ATOM 394 C3' G B 13 -6.949 6.279 5.137 1.00 0.00 C ATOM 395 O3' G B 13 -7.387 7.051 4.030 1.00 0.00 O ATOM 396 C2' G B 13 -5.810 6.939 5.872 1.00 0.00 C ATOM 397 O2' G B 13 -5.993 8.339 5.885 1.00 0.00 O ATOM 398 C1' G B 13 -5.951 6.411 7.293 1.00 0.00 C ATOM 399 N9 G B 13 -4.899 5.411 7.546 1.00 0.00 N ATOM 400 C8 G B 13 -4.966 4.050 7.454 1.00 0.00 C ATOM 401 N7 G B 13 -3.840 3.443 7.720 1.00 0.00 N ATOM 402 C5 G B 13 -2.959 4.483 8.003 1.00 0.00 C ATOM 403 C6 G B 13 -1.575 4.452 8.357 1.00 0.00 C ATOM 404 O6 G B 13 -0.840 3.478 8.513 1.00 0.00 O ATOM 405 N1 G B 13 -1.068 5.729 8.529 1.00 0.00 N ATOM 406 C2 G B 13 -1.784 6.896 8.396 1.00 0.00 C ATOM 407 N2 G B 13 -1.117 8.034 8.611 1.00 0.00 N ATOM 408 N3 G B 13 -3.079 6.933 8.072 1.00 0.00 N ATOM 409 C4 G B 13 -3.601 5.693 7.890 1.00 0.00 C ATOM 0 H5' G B 13 -9.799 5.143 6.740 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.645 5.518 5.035 1.00 0.00 H new ATOM 0 H4' G B 13 -8.498 7.161 6.372 1.00 0.00 H new ATOM 0 H3' G B 13 -6.705 5.316 4.689 1.00 0.00 H new ATOM 0 H2' G B 13 -4.840 6.734 5.420 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.777 8.571 5.345 1.00 0.00 H new ATOM 0 H1' G B 13 -5.842 7.206 8.031 1.00 0.00 H new ATOM 0 H8 G B 13 -5.869 3.522 7.185 1.00 0.00 H new ATOM 0 H1 G B 13 -0.081 5.811 8.775 1.00 0.00 H new ATOM 0 H21 G B 13 -1.597 8.930 8.527 1.00 0.00 H new ATOM 0 H22 G B 13 -0.128 8.006 8.860 1.00 0.00 H new ATOM 421 P U B 14 -6.585 7.021 2.624 1.00 0.00 P ATOM 422 OP1 U B 14 -7.324 7.865 1.658 1.00 0.00 O ATOM 423 OP2 U B 14 -6.306 5.606 2.294 1.00 0.00 O ATOM 424 O5' U B 14 -5.174 7.744 2.939 1.00 0.00 O ATOM 425 C5' U B 14 -5.058 9.154 2.969 1.00 0.00 C ATOM 426 C4' U B 14 -3.589 9.550 3.197 1.00 0.00 C ATOM 427 O4' U B 14 -3.107 9.099 4.469 1.00 0.00 O ATOM 428 C3' U B 14 -2.651 8.927 2.177 1.00 0.00 C ATOM 429 O3' U B 14 -2.646 9.594 0.931 1.00 0.00 O ATOM 430 C2' U B 14 -1.341 9.104 2.893 1.00 0.00 C ATOM 431 O2' U B 14 -0.949 10.460 2.843 1.00 0.00 O ATOM 432 C1' U B 14 -1.711 8.766 4.324 1.00 0.00 C ATOM 433 N1 U B 14 -1.500 7.322 4.598 1.00 0.00 N ATOM 434 C2 U B 14 -0.273 6.940 5.123 1.00 0.00 C ATOM 435 O2 U B 14 0.644 7.739 5.300 1.00 0.00 O ATOM 436 N3 U B 14 -0.136 5.600 5.440 1.00 0.00 N ATOM 437 C4 U B 14 -1.104 4.622 5.284 1.00 0.00 C ATOM 438 O4 U B 14 -0.866 3.455 5.585 1.00 0.00 O ATOM 439 C5 U B 14 -2.354 5.112 4.750 1.00 0.00 C ATOM 440 C6 U B 14 -2.506 6.414 4.423 1.00 0.00 C ATOM 0 H5' U B 14 -5.682 9.563 3.764 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.417 9.578 2.031 1.00 0.00 H new ATOM 0 H4' U B 14 -3.588 10.637 3.122 1.00 0.00 H new ATOM 0 H3' U B 14 -2.914 7.905 1.905 1.00 0.00 H new ATOM 0 H2' U B 14 -0.531 8.505 2.475 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.485 10.931 2.171 1.00 0.00 H new ATOM 0 H1' U B 14 -1.090 9.320 5.028 1.00 0.00 H new ATOM 0 H3 U B 14 0.762 5.305 5.824 1.00 0.00 H new ATOM 0 H5 U B 14 -3.178 4.428 4.610 1.00 0.00 H new ATOM 0 H6 U B 14 -3.448 6.746 4.012 1.00 0.00 H new ATOM 451 P C B 15 -1.935 8.921 -0.357 1.00 0.00 P ATOM 452 OP1 C B 15 -1.979 9.896 -1.469 1.00 0.00 O ATOM 453 OP2 C B 15 -2.519 7.574 -0.542 1.00 0.00 O ATOM 454 O5' C B 15 -0.389 8.734 0.089 1.00 0.00 O ATOM 455 C5' C B 15 0.505 9.830 0.104 1.00 0.00 C ATOM 456 C4' C B 15 1.910 9.355 0.505 1.00 0.00 C ATOM 457 O4' C B 15 1.937 8.773 1.815 1.00 0.00 O ATOM 458 C3' C B 15 2.427 8.267 -0.408 1.00 0.00 C ATOM 459 O3' C B 15 2.853 8.771 -1.660 1.00 0.00 O ATOM 460 C2' C B 15 3.578 7.750 0.425 1.00 0.00 C ATOM 461 O2' C B 15 4.664 8.648 0.343 1.00 0.00 O ATOM 462 C1' C B 15 3.008 7.803 1.845 1.00 0.00 C ATOM 463 N1 C B 15 2.505 6.459 2.244 1.00 0.00 N ATOM 464 C2 C B 15 3.451 5.503 2.606 1.00 0.00 C ATOM 465 O2 C B 15 4.649 5.781 2.600 1.00 0.00 O ATOM 466 N3 C B 15 3.014 4.262 2.964 1.00 0.00 N ATOM 467 C4 C B 15 1.706 3.967 2.961 1.00 0.00 C ATOM 468 N4 C B 15 1.319 2.741 3.321 1.00 0.00 N ATOM 469 C5 C B 15 0.723 4.939 2.594 1.00 0.00 C ATOM 470 C6 C B 15 1.168 6.166 2.251 1.00 0.00 C ATOM 0 H5' C B 15 0.154 10.587 0.805 1.00 0.00 H new ATOM 0 H5'' C B 15 0.537 10.298 -0.880 1.00 0.00 H new ATOM 0 H4' C B 15 2.521 10.256 0.451 1.00 0.00 H new ATOM 0 H3' C B 15 1.689 7.515 -0.685 1.00 0.00 H new ATOM 0 H2' C B 15 3.932 6.766 0.116 1.00 0.00 H new ATOM 0 HO2' C B 15 5.408 8.312 0.884 1.00 0.00 H new ATOM 0 H1' C B 15 3.766 8.088 2.575 1.00 0.00 H new ATOM 0 H41 C B 15 0.328 2.499 3.324 1.00 0.00 H new ATOM 0 H42 C B 15 2.014 2.046 3.593 1.00 0.00 H new ATOM 0 H5 C B 15 -0.330 4.701 2.591 1.00 0.00 H new ATOM 0 H6 C B 15 0.456 6.931 1.977 1.00 0.00 H new ATOM 482 P C B 16 3.166 7.772 -2.889 1.00 0.00 P ATOM 483 OP1 C B 16 3.571 8.588 -4.055 1.00 0.00 O ATOM 484 OP2 C B 16 2.030 6.832 -3.011 1.00 0.00 O ATOM 485 O5' C B 16 4.449 6.937 -2.394 1.00 0.00 O ATOM 486 C5' C B 16 5.743 7.504 -2.415 1.00 0.00 C ATOM 487 C4' C B 16 6.754 6.463 -1.931 1.00 0.00 C ATOM 488 O4' C B 16 6.488 6.059 -0.595 1.00 0.00 O ATOM 489 C3' C B 16 6.677 5.182 -2.729 1.00 0.00 C ATOM 490 O3' C B 16 7.296 5.285 -3.993 1.00 0.00 O ATOM 491 C2' C B 16 7.408 4.237 -1.829 1.00 0.00 C ATOM 492 O2' C B 16 8.801 4.429 -1.966 1.00 0.00 O ATOM 493 C1' C B 16 6.957 4.709 -0.452 1.00 0.00 C ATOM 494 N1 C B 16 5.867 3.823 0.016 1.00 0.00 N ATOM 495 C2 C B 16 6.229 2.644 0.658 1.00 0.00 C ATOM 496 O2 C B 16 7.412 2.402 0.890 1.00 0.00 O ATOM 497 N3 C B 16 5.244 1.773 1.012 1.00 0.00 N ATOM 498 C4 C B 16 3.959 2.041 0.740 1.00 0.00 C ATOM 499 N4 C B 16 3.023 1.160 1.107 1.00 0.00 N ATOM 500 C5 C B 16 3.578 3.242 0.058 1.00 0.00 C ATOM 501 C6 C B 16 4.563 4.097 -0.278 1.00 0.00 C ATOM 0 H5' C B 16 5.777 8.387 -1.776 1.00 0.00 H new ATOM 0 H5'' C B 16 5.994 7.831 -3.424 1.00 0.00 H new ATOM 0 H4' C B 16 7.724 6.950 -2.034 1.00 0.00 H new ATOM 0 H3' C B 16 5.658 4.881 -2.973 1.00 0.00 H new ATOM 0 H2' C B 16 7.211 3.184 -2.029 1.00 0.00 H new ATOM 0 HO2' C B 16 9.002 4.730 -2.877 1.00 0.00 H new ATOM 0 HO3' C B 16 7.219 4.430 -4.466 1.00 0.00 H new ATOM 0 H1' C B 16 7.768 4.675 0.275 1.00 0.00 H new ATOM 0 H41 C B 16 2.040 1.347 0.908 1.00 0.00 H new ATOM 0 H42 C B 16 3.292 0.300 1.586 1.00 0.00 H new ATOM 0 H5 C B 16 2.545 3.453 -0.177 1.00 0.00 H new ATOM 0 H6 C B 16 4.316 5.016 -0.789 1.00 0.00 H new TER 514 C B 16