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= -0.19 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0109 USER MOD Single : A 2 G O2' : rot 180:sc= -0.374 USER MOD Single : A 3 A O2' : rot -31:sc= 0.138 USER MOD Single : A 4 U O2' : rot 180:sc= -0.242 USER MOD Single : A 5 G O2' : rot -7:sc= 0.0849 USER MOD Single : A 6 U O2' : rot -14:sc= -0.49 USER MOD Single : A 7 C O2' : rot 180:sc= -0.246 USER MOD Single : A 8 C O2' : rot -23:sc= 0.137 USER MOD Single : A 8 C O3' : rot 180:sc= 0.167 USER MOD Single : B 9 G O2' : rot -76:sc= 0.145 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot -20:sc= -0.159 USER MOD Single : B 11 A O2' : rot -27:sc= 0.152 USER MOD Single : B 12 U O2' : rot 180:sc= -0.251 USER MOD Single : B 13 G O2' : rot -8:sc= 0.109 USER MOD Single : B 14 U O2' : rot -15:sc= -0.423 USER MOD Single : B 15 C O2' : rot 180:sc= -0.29 USER MOD Single : B 16 C O2' : rot -28:sc= 0.11 USER MOD Single : B 16 C O3' : rot 180:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.214 -7.974 5.631 1.00 0.00 O ATOM 2 C5' G A 1 6.549 -8.422 5.721 1.00 0.00 C ATOM 3 C4' G A 1 7.503 -7.322 5.247 1.00 0.00 C ATOM 4 O4' G A 1 7.275 -6.988 3.879 1.00 0.00 O ATOM 5 C3' G A 1 7.323 -6.025 6.013 1.00 0.00 C ATOM 6 O3' G A 1 7.932 -6.061 7.291 1.00 0.00 O ATOM 7 C2' G A 1 8.016 -5.068 5.071 1.00 0.00 C ATOM 8 O2' G A 1 9.418 -5.221 5.167 1.00 0.00 O ATOM 9 C1' G A 1 7.552 -5.588 3.711 1.00 0.00 C ATOM 10 N9 G A 1 6.316 -4.879 3.313 1.00 0.00 N ATOM 11 C8 G A 1 5.019 -5.327 3.334 1.00 0.00 C ATOM 12 N7 G A 1 4.147 -4.445 2.932 1.00 0.00 N ATOM 13 C5 G A 1 4.918 -3.329 2.621 1.00 0.00 C ATOM 14 C6 G A 1 4.520 -2.049 2.134 1.00 0.00 C ATOM 15 O6 G A 1 3.386 -1.649 1.881 1.00 0.00 O ATOM 16 N1 G A 1 5.612 -1.210 1.948 1.00 0.00 N ATOM 17 C2 G A 1 6.924 -1.551 2.200 1.00 0.00 C ATOM 18 N2 G A 1 7.846 -0.611 1.968 1.00 0.00 N ATOM 19 N3 G A 1 7.301 -2.750 2.660 1.00 0.00 N ATOM 20 C4 G A 1 6.248 -3.587 2.847 1.00 0.00 C ATOM 0 H5' G A 1 6.683 -9.317 5.114 1.00 0.00 H new ATOM 0 H5'' G A 1 6.780 -8.697 6.750 1.00 0.00 H new ATOM 0 H4' G A 1 8.500 -7.732 5.407 1.00 0.00 H new ATOM 0 H3' G A 1 6.289 -5.771 6.245 1.00 0.00 H new ATOM 0 H2' G A 1 7.793 -4.019 5.264 1.00 0.00 H new ATOM 0 HO2' G A 1 9.858 -4.598 4.552 1.00 0.00 H new ATOM 0 HO5' G A 1 4.610 -8.683 5.934 1.00 0.00 H new ATOM 0 H1' G A 1 8.307 -5.427 2.942 1.00 0.00 H new ATOM 0 H8 G A 1 4.745 -6.321 3.655 1.00 0.00 H new ATOM 0 H1 G A 1 5.429 -0.270 1.598 1.00 0.00 H new ATOM 0 H21 G A 1 8.832 -0.811 2.138 1.00 0.00 H new ATOM 0 H22 G A 1 7.564 0.306 1.621 1.00 0.00 H new ATOM 33 P G A 2 7.589 -4.936 8.403 1.00 0.00 P ATOM 34 OP1 G A 2 8.361 -5.250 9.625 1.00 0.00 O ATOM 35 OP2 G A 2 6.117 -4.809 8.479 1.00 0.00 O ATOM 36 O5' G A 2 8.176 -3.573 7.776 1.00 0.00 O ATOM 37 C5' G A 2 9.565 -3.321 7.759 1.00 0.00 C ATOM 38 C4' G A 2 9.832 -1.973 7.085 1.00 0.00 C ATOM 39 O4' G A 2 9.299 -1.941 5.758 1.00 0.00 O ATOM 40 C3' G A 2 9.173 -0.812 7.804 1.00 0.00 C ATOM 41 O3' G A 2 9.870 -0.416 8.972 1.00 0.00 O ATOM 42 C2' G A 2 9.250 0.228 6.712 1.00 0.00 C ATOM 43 O2' G A 2 10.581 0.675 6.562 1.00 0.00 O ATOM 44 C1' G A 2 8.867 -0.597 5.489 1.00 0.00 C ATOM 45 N9 G A 2 7.396 -0.561 5.323 1.00 0.00 N ATOM 46 C8 G A 2 6.467 -1.522 5.633 1.00 0.00 C ATOM 47 N7 G A 2 5.238 -1.174 5.377 1.00 0.00 N ATOM 48 C5 G A 2 5.354 0.114 4.866 1.00 0.00 C ATOM 49 C6 G A 2 4.343 1.012 4.416 1.00 0.00 C ATOM 50 O6 G A 2 3.129 0.832 4.372 1.00 0.00 O ATOM 51 N1 G A 2 4.884 2.221 3.992 1.00 0.00 N ATOM 52 C2 G A 2 6.227 2.529 3.992 1.00 0.00 C ATOM 53 N2 G A 2 6.565 3.745 3.550 1.00 0.00 N ATOM 54 N3 G A 2 7.180 1.686 4.409 1.00 0.00 N ATOM 55 C4 G A 2 6.672 0.500 4.832 1.00 0.00 C ATOM 0 H5' G A 2 10.083 -4.116 7.223 1.00 0.00 H new ATOM 0 H5'' G A 2 9.957 -3.315 8.776 1.00 0.00 H new ATOM 0 H4' G A 2 10.917 -1.871 7.100 1.00 0.00 H new ATOM 0 H3' G A 2 8.173 -1.019 8.185 1.00 0.00 H new ATOM 0 H2' G A 2 8.633 1.108 6.891 1.00 0.00 H new ATOM 0 HO2' G A 2 10.622 1.348 5.851 1.00 0.00 H new ATOM 0 H1' G A 2 9.326 -0.213 4.578 1.00 0.00 H new ATOM 0 H8 G A 2 6.731 -2.482 6.052 1.00 0.00 H new ATOM 0 H1 G A 2 4.237 2.934 3.655 1.00 0.00 H new ATOM 0 H21 G A 2 7.545 4.025 3.528 1.00 0.00 H new ATOM 0 H22 G A 2 5.842 4.392 3.234 1.00 0.00 H new ATOM 67 P A A 3 9.166 0.534 10.082 1.00 0.00 P ATOM 68 OP1 A A 3 10.152 0.793 11.154 1.00 0.00 O ATOM 69 OP2 A A 3 7.854 -0.060 10.421 1.00 0.00 O ATOM 70 O5' A A 3 8.895 1.923 9.305 1.00 0.00 O ATOM 71 C5' A A 3 9.963 2.776 8.954 1.00 0.00 C ATOM 72 C4' A A 3 9.428 3.993 8.193 1.00 0.00 C ATOM 73 O4' A A 3 8.683 3.596 7.039 1.00 0.00 O ATOM 74 C3' A A 3 8.473 4.848 9.001 1.00 0.00 C ATOM 75 O3' A A 3 9.146 5.707 9.900 1.00 0.00 O ATOM 76 C2' A A 3 7.787 5.622 7.910 1.00 0.00 C ATOM 77 O2' A A 3 8.642 6.641 7.434 1.00 0.00 O ATOM 78 C1' A A 3 7.630 4.555 6.832 1.00 0.00 C ATOM 79 N9 A A 3 6.309 3.896 6.966 1.00 0.00 N ATOM 80 C8 A A 3 6.011 2.622 7.381 1.00 0.00 C ATOM 81 N7 A A 3 4.741 2.329 7.329 1.00 0.00 N ATOM 82 C5 A A 3 4.150 3.497 6.863 1.00 0.00 C ATOM 83 C6 A A 3 2.815 3.846 6.594 1.00 0.00 C ATOM 84 N6 A A 3 1.789 3.000 6.751 1.00 0.00 N ATOM 85 N1 A A 3 2.571 5.100 6.171 1.00 0.00 N ATOM 86 C2 A A 3 3.591 5.940 6.016 1.00 0.00 C ATOM 87 N3 A A 3 4.885 5.729 6.219 1.00 0.00 N ATOM 88 C4 A A 3 5.096 4.463 6.652 1.00 0.00 C ATOM 0 H5' A A 3 10.683 2.238 8.337 1.00 0.00 H new ATOM 0 H5'' A A 3 10.491 3.100 9.851 1.00 0.00 H new ATOM 0 H4' A A 3 10.325 4.561 7.944 1.00 0.00 H new ATOM 0 H3' A A 3 7.804 4.274 9.642 1.00 0.00 H new ATOM 0 H2' A A 3 6.857 6.100 8.219 1.00 0.00 H new ATOM 0 HO2' A A 3 9.218 6.952 8.163 1.00 0.00 H new ATOM 0 H1' A A 3 7.690 4.991 5.835 1.00 0.00 H new ATOM 0 H8 A A 3 6.762 1.924 7.721 1.00 0.00 H new ATOM 0 H61 A A 3 0.839 3.306 6.541 1.00 0.00 H new ATOM 0 H62 A A 3 1.958 2.050 7.081 1.00 0.00 H new ATOM 0 H2 A A 3 3.329 6.932 5.678 1.00 0.00 H new ATOM 100 P U A 4 8.763 5.723 11.458 1.00 0.00 P ATOM 101 OP1 U A 4 9.741 6.570 12.176 1.00 0.00 O ATOM 102 OP2 U A 4 8.518 4.333 11.899 1.00 0.00 O ATOM 103 O5' U A 4 7.357 6.502 11.403 1.00 0.00 O ATOM 104 C5' U A 4 7.315 7.875 11.069 1.00 0.00 C ATOM 105 C4' U A 4 5.874 8.306 10.798 1.00 0.00 C ATOM 106 O4' U A 4 5.339 7.612 9.674 1.00 0.00 O ATOM 107 C3' U A 4 4.937 7.997 11.947 1.00 0.00 C ATOM 108 O3' U A 4 5.049 8.943 12.994 1.00 0.00 O ATOM 109 C2' U A 4 3.605 8.080 11.237 1.00 0.00 C ATOM 110 O2' U A 4 3.249 9.433 11.044 1.00 0.00 O ATOM 111 C1' U A 4 3.927 7.464 9.873 1.00 0.00 C ATOM 112 N1 U A 4 3.551 6.029 9.858 1.00 0.00 N ATOM 113 C2 U A 4 2.217 5.732 9.630 1.00 0.00 C ATOM 114 O2 U A 4 1.380 6.612 9.442 1.00 0.00 O ATOM 115 N3 U A 4 1.876 4.388 9.624 1.00 0.00 N ATOM 116 C4 U A 4 2.746 3.330 9.834 1.00 0.00 C ATOM 117 O4 U A 4 2.336 2.173 9.820 1.00 0.00 O ATOM 118 C5 U A 4 4.122 3.730 10.050 1.00 0.00 C ATOM 119 C6 U A 4 4.478 5.036 10.053 1.00 0.00 C ATOM 0 H5' U A 4 7.930 8.062 10.189 1.00 0.00 H new ATOM 0 H5'' U A 4 7.733 8.468 11.882 1.00 0.00 H new ATOM 0 H4' U A 4 5.931 9.382 10.635 1.00 0.00 H new ATOM 0 H3' U A 4 5.125 7.047 12.448 1.00 0.00 H new ATOM 0 H2' U A 4 2.792 7.595 11.777 1.00 0.00 H new ATOM 0 HO2' U A 4 2.386 9.482 10.583 1.00 0.00 H new ATOM 0 H1' U A 4 3.369 7.959 9.078 1.00 0.00 H new ATOM 0 H3 U A 4 0.898 4.158 9.449 1.00 0.00 H new ATOM 0 H5 U A 4 4.876 2.974 10.211 1.00 0.00 H new ATOM 0 H6 U A 4 5.513 5.302 10.212 1.00 0.00 H new ATOM 130 P G A 5 4.297 8.711 14.402 1.00 0.00 P ATOM 131 OP1 G A 5 4.692 9.802 15.321 1.00 0.00 O ATOM 132 OP2 G A 5 4.506 7.302 14.803 1.00 0.00 O ATOM 133 O5' G A 5 2.740 8.902 14.040 1.00 0.00 O ATOM 134 C5' G A 5 2.191 10.190 13.836 1.00 0.00 C ATOM 135 C4' G A 5 0.701 10.057 13.515 1.00 0.00 C ATOM 136 O4' G A 5 0.494 9.281 12.341 1.00 0.00 O ATOM 137 C3' G A 5 -0.044 9.313 14.603 1.00 0.00 C ATOM 138 O3' G A 5 -0.322 10.131 15.729 1.00 0.00 O ATOM 139 C2' G A 5 -1.299 8.927 13.861 1.00 0.00 C ATOM 140 O2' G A 5 -2.214 10.003 13.870 1.00 0.00 O ATOM 141 C1' G A 5 -0.814 8.704 12.435 1.00 0.00 C ATOM 142 N9 G A 5 -0.774 7.259 12.155 1.00 0.00 N ATOM 143 C8 G A 5 0.283 6.397 12.231 1.00 0.00 C ATOM 144 N7 G A 5 -0.017 5.159 11.943 1.00 0.00 N ATOM 145 C5 G A 5 -1.380 5.204 11.663 1.00 0.00 C ATOM 146 C6 G A 5 -2.282 4.160 11.291 1.00 0.00 C ATOM 147 O6 G A 5 -2.048 2.966 11.113 1.00 0.00 O ATOM 148 N1 G A 5 -3.572 4.639 11.130 1.00 0.00 N ATOM 149 C2 G A 5 -3.961 5.948 11.288 1.00 0.00 C ATOM 150 N2 G A 5 -5.255 6.216 11.080 1.00 0.00 N ATOM 151 N3 G A 5 -3.124 6.932 11.627 1.00 0.00 N ATOM 152 C4 G A 5 -1.852 6.488 11.799 1.00 0.00 C ATOM 0 H5' G A 5 2.708 10.693 13.019 1.00 0.00 H new ATOM 0 H5'' G A 5 2.330 10.803 14.727 1.00 0.00 H new ATOM 0 H4' G A 5 0.339 11.079 13.404 1.00 0.00 H new ATOM 0 H3' G A 5 0.508 8.477 15.033 1.00 0.00 H new ATOM 0 H2' G A 5 -1.799 8.061 14.296 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.875 10.716 14.451 1.00 0.00 H new ATOM 0 H1' G A 5 -1.479 9.167 11.706 1.00 0.00 H new ATOM 0 H8 G A 5 1.279 6.712 12.505 1.00 0.00 H new ATOM 0 H1 G A 5 -4.293 3.965 10.873 1.00 0.00 H new ATOM 0 H21 G A 5 -5.601 7.170 11.183 1.00 0.00 H new ATOM 0 H22 G A 5 -5.895 5.466 10.819 1.00 0.00 H new ATOM 164 P U A 6 -0.821 9.484 17.126 1.00 0.00 P ATOM 165 OP1 U A 6 -0.962 10.578 18.113 1.00 0.00 O ATOM 166 OP2 U A 6 0.060 8.335 17.430 1.00 0.00 O ATOM 167 O5' U A 6 -2.298 8.906 16.810 1.00 0.00 O ATOM 168 C5' U A 6 -3.434 9.748 16.806 1.00 0.00 C ATOM 169 C4' U A 6 -4.704 8.913 16.566 1.00 0.00 C ATOM 170 O4' U A 6 -4.694 8.285 15.277 1.00 0.00 O ATOM 171 C3' U A 6 -4.853 7.772 17.561 1.00 0.00 C ATOM 172 O3' U A 6 -5.363 8.176 18.814 1.00 0.00 O ATOM 173 C2' U A 6 -5.845 6.911 16.825 1.00 0.00 C ATOM 174 O2' U A 6 -7.132 7.490 16.898 1.00 0.00 O ATOM 175 C1' U A 6 -5.355 7.008 15.395 1.00 0.00 C ATOM 176 N1 U A 6 -4.404 5.910 15.089 1.00 0.00 N ATOM 177 C2 U A 6 -4.920 4.746 14.536 1.00 0.00 C ATOM 178 O2 U A 6 -6.125 4.583 14.354 1.00 0.00 O ATOM 179 N3 U A 6 -3.999 3.771 14.195 1.00 0.00 N ATOM 180 C4 U A 6 -2.627 3.855 14.353 1.00 0.00 C ATOM 181 O4 U A 6 -1.902 2.917 14.030 1.00 0.00 O ATOM 182 C5 U A 6 -2.175 5.108 14.916 1.00 0.00 C ATOM 183 C6 U A 6 -3.058 6.069 15.266 1.00 0.00 C ATOM 0 H5' U A 6 -3.334 10.505 16.028 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.510 10.276 17.757 1.00 0.00 H new ATOM 0 H4' U A 6 -5.519 9.630 16.665 1.00 0.00 H new ATOM 0 H3' U A 6 -3.908 7.296 17.823 1.00 0.00 H new ATOM 0 H2' U A 6 -5.914 5.896 17.217 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.139 8.187 17.587 1.00 0.00 H new ATOM 0 H1' U A 6 -6.184 6.921 14.693 1.00 0.00 H new ATOM 0 H3 U A 6 -4.366 2.910 13.789 1.00 0.00 H new ATOM 0 H5 U A 6 -1.118 5.278 15.059 1.00 0.00 H new ATOM 0 H6 U A 6 -2.690 6.988 15.698 1.00 0.00 H new ATOM 194 P C A 7 -5.317 7.170 20.082 1.00 0.00 P ATOM 195 OP1 C A 7 -6.033 7.814 21.205 1.00 0.00 O ATOM 196 OP2 C A 7 -3.914 6.736 20.261 1.00 0.00 O ATOM 197 O5' C A 7 -6.178 5.882 19.607 1.00 0.00 O ATOM 198 C5' C A 7 -7.592 5.910 19.597 1.00 0.00 C ATOM 199 C4' C A 7 -8.144 4.543 19.164 1.00 0.00 C ATOM 200 O4' C A 7 -7.727 4.179 17.842 1.00 0.00 O ATOM 201 C3' C A 7 -7.646 3.419 20.044 1.00 0.00 C ATOM 202 O3' C A 7 -8.297 3.388 21.301 1.00 0.00 O ATOM 203 C2' C A 7 -8.008 2.231 19.181 1.00 0.00 C ATOM 204 O2' C A 7 -9.396 1.988 19.266 1.00 0.00 O ATOM 205 C1' C A 7 -7.688 2.736 17.772 1.00 0.00 C ATOM 206 N1 C A 7 -6.343 2.255 17.351 1.00 0.00 N ATOM 207 C2 C A 7 -6.237 0.925 16.949 1.00 0.00 C ATOM 208 O2 C A 7 -7.229 0.198 16.935 1.00 0.00 O ATOM 209 N3 C A 7 -5.012 0.458 16.577 1.00 0.00 N ATOM 210 C4 C A 7 -3.935 1.255 16.602 1.00 0.00 C ATOM 211 N4 C A 7 -2.753 0.759 16.227 1.00 0.00 N ATOM 212 C5 C A 7 -4.029 2.623 17.011 1.00 0.00 C ATOM 213 C6 C A 7 -5.249 3.076 17.368 1.00 0.00 C ATOM 0 H5' C A 7 -7.943 6.685 18.916 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.966 6.164 20.589 1.00 0.00 H new ATOM 0 H4' C A 7 -9.226 4.662 19.229 1.00 0.00 H new ATOM 0 H3' C A 7 -6.592 3.485 20.315 1.00 0.00 H new ATOM 0 H2' C A 7 -7.489 1.315 19.462 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.628 1.219 18.705 1.00 0.00 H new ATOM 0 H1' C A 7 -8.403 2.366 17.037 1.00 0.00 H new ATOM 0 H41 C A 7 -1.924 1.352 16.240 1.00 0.00 H new ATOM 0 H42 C A 7 -2.680 -0.213 15.927 1.00 0.00 H new ATOM 0 H5 C A 7 -3.161 3.265 17.033 1.00 0.00 H new ATOM 0 H6 C A 7 -5.364 4.106 17.673 1.00 0.00 H new ATOM 225 P C A 8 -7.733 2.465 22.499 1.00 0.00 P ATOM 226 OP1 C A 8 -8.609 2.653 23.677 1.00 0.00 O ATOM 227 OP2 C A 8 -6.280 2.713 22.620 1.00 0.00 O ATOM 228 O5' C A 8 -7.937 0.962 21.961 1.00 0.00 O ATOM 229 C5' C A 8 -9.208 0.347 21.974 1.00 0.00 C ATOM 230 C4' C A 8 -9.080 -1.084 21.447 1.00 0.00 C ATOM 231 O4' C A 8 -8.608 -1.106 20.107 1.00 0.00 O ATOM 232 C3' C A 8 -8.052 -1.882 22.216 1.00 0.00 C ATOM 233 O3' C A 8 -8.523 -2.320 23.470 1.00 0.00 O ATOM 234 C2' C A 8 -7.817 -3.026 21.281 1.00 0.00 C ATOM 235 O2' C A 8 -8.870 -3.962 21.399 1.00 0.00 O ATOM 236 C1' C A 8 -7.892 -2.338 19.923 1.00 0.00 C ATOM 237 N1 C A 8 -6.513 -2.077 19.451 1.00 0.00 N ATOM 238 C2 C A 8 -5.862 -3.101 18.772 1.00 0.00 C ATOM 239 O2 C A 8 -6.452 -4.148 18.515 1.00 0.00 O ATOM 240 N3 C A 8 -4.562 -2.912 18.412 1.00 0.00 N ATOM 241 C4 C A 8 -3.925 -1.772 18.713 1.00 0.00 C ATOM 242 N4 C A 8 -2.650 -1.626 18.339 1.00 0.00 N ATOM 243 C5 C A 8 -4.580 -0.720 19.432 1.00 0.00 C ATOM 244 C6 C A 8 -5.867 -0.919 19.774 1.00 0.00 C ATOM 0 H5' C A 8 -9.906 0.913 21.357 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.611 0.340 22.987 1.00 0.00 H new ATOM 0 H4' C A 8 -10.080 -1.506 21.544 1.00 0.00 H new ATOM 0 H3' C A 8 -7.159 -1.311 22.470 1.00 0.00 H new ATOM 0 H2' C A 8 -6.888 -3.567 21.459 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.296 -3.867 22.277 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.820 -2.831 23.923 1.00 0.00 H new ATOM 0 H1' C A 8 -8.402 -2.954 19.182 1.00 0.00 H new ATOM 0 H41 C A 8 -2.149 -0.765 18.559 1.00 0.00 H new ATOM 0 H42 C A 8 -2.178 -2.375 17.833 1.00 0.00 H new ATOM 0 H5 C A 8 -4.064 0.193 19.689 1.00 0.00 H new ATOM 0 H6 C A 8 -6.398 -0.148 20.314 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.301 -10.574 14.729 1.00 0.00 O ATOM 259 C5' G B 9 1.564 -11.765 14.900 1.00 0.00 C ATOM 260 C4' G B 9 0.093 -11.435 15.161 1.00 0.00 C ATOM 261 O4' G B 9 -0.063 -10.670 16.350 1.00 0.00 O ATOM 262 C3' G B 9 -0.520 -10.587 14.066 1.00 0.00 C ATOM 263 O3' G B 9 -0.837 -11.345 12.913 1.00 0.00 O ATOM 264 C2' G B 9 -1.754 -10.081 14.774 1.00 0.00 C ATOM 265 O2' G B 9 -2.742 -11.092 14.782 1.00 0.00 O ATOM 266 C1' G B 9 -1.248 -9.872 16.204 1.00 0.00 C ATOM 267 N9 G B 9 -0.919 -8.447 16.423 1.00 0.00 N ATOM 268 C8 G B 9 0.295 -7.816 16.321 1.00 0.00 C ATOM 269 N7 G B 9 0.254 -6.542 16.597 1.00 0.00 N ATOM 270 C5 G B 9 -1.083 -6.308 16.903 1.00 0.00 C ATOM 271 C6 G B 9 -1.738 -5.099 17.286 1.00 0.00 C ATOM 272 O6 G B 9 -1.250 -3.981 17.431 1.00 0.00 O ATOM 273 N1 G B 9 -3.096 -5.300 17.504 1.00 0.00 N ATOM 274 C2 G B 9 -3.749 -6.507 17.368 1.00 0.00 C ATOM 275 N2 G B 9 -5.064 -6.510 17.608 1.00 0.00 N ATOM 276 N3 G B 9 -3.139 -7.642 17.012 1.00 0.00 N ATOM 277 C4 G B 9 -1.810 -7.469 16.796 1.00 0.00 C ATOM 0 H5' G B 9 1.971 -12.338 15.734 1.00 0.00 H new ATOM 0 H5'' G B 9 1.653 -12.389 14.011 1.00 0.00 H new ATOM 0 H4' G B 9 -0.399 -12.406 15.224 1.00 0.00 H new ATOM 0 H3' G B 9 0.134 -9.806 13.678 1.00 0.00 H new ATOM 0 H2' G B 9 -2.190 -9.193 14.317 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.153 -11.155 13.894 1.00 0.00 H new ATOM 0 HO5' G B 9 3.242 -10.792 14.564 1.00 0.00 H new ATOM 0 H1' G B 9 -2.009 -10.160 16.930 1.00 0.00 H new ATOM 0 H8 G B 9 1.203 -8.328 16.038 1.00 0.00 H new ATOM 0 H1 G B 9 -3.652 -4.493 17.786 1.00 0.00 H new ATOM 0 H21 G B 9 -5.596 -7.376 17.522 1.00 0.00 H new ATOM 0 H22 G B 9 -5.535 -5.646 17.877 1.00 0.00 H new ATOM 290 P G B 10 -1.367 -10.621 11.575 1.00 0.00 P ATOM 291 OP1 G B 10 -1.580 -11.655 10.538 1.00 0.00 O ATOM 292 OP2 G B 10 -0.483 -9.468 11.297 1.00 0.00 O ATOM 293 O5' G B 10 -2.806 -10.059 12.029 1.00 0.00 O ATOM 294 C5' G B 10 -3.345 -8.897 11.436 1.00 0.00 C ATOM 295 C4' G B 10 -4.656 -8.531 12.131 1.00 0.00 C ATOM 296 O4' G B 10 -4.442 -8.277 13.524 1.00 0.00 O ATOM 297 C3' G B 10 -5.236 -7.249 11.562 1.00 0.00 C ATOM 298 O3' G B 10 -5.980 -7.471 10.377 1.00 0.00 O ATOM 299 C2' G B 10 -6.104 -6.805 12.715 1.00 0.00 C ATOM 300 O2' G B 10 -7.260 -7.612 12.794 1.00 0.00 O ATOM 301 C1' G B 10 -5.194 -7.117 13.898 1.00 0.00 C ATOM 302 N9 G B 10 -4.261 -5.990 14.120 1.00 0.00 N ATOM 303 C8 G B 10 -2.909 -5.941 13.893 1.00 0.00 C ATOM 304 N7 G B 10 -2.365 -4.792 14.175 1.00 0.00 N ATOM 305 C5 G B 10 -3.428 -4.020 14.629 1.00 0.00 C ATOM 306 C6 G B 10 -3.446 -2.671 15.088 1.00 0.00 C ATOM 307 O6 G B 10 -2.507 -1.884 15.169 1.00 0.00 O ATOM 308 N1 G B 10 -4.721 -2.277 15.473 1.00 0.00 N ATOM 309 C2 G B 10 -5.843 -3.076 15.427 1.00 0.00 C ATOM 310 N2 G B 10 -6.989 -2.525 15.842 1.00 0.00 N ATOM 311 N3 G B 10 -5.833 -4.343 14.993 1.00 0.00 N ATOM 312 C4 G B 10 -4.594 -4.748 14.610 1.00 0.00 C ATOM 0 H5' G B 10 -3.519 -9.066 10.373 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.636 -8.073 11.516 1.00 0.00 H new ATOM 0 H4' G B 10 -5.329 -9.374 11.977 1.00 0.00 H new ATOM 0 H3' G B 10 -4.492 -6.516 11.249 1.00 0.00 H new ATOM 0 H2' G B 10 -6.445 -5.772 12.649 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.408 -8.056 11.933 1.00 0.00 H new ATOM 0 H1' G B 10 -5.769 -7.278 14.810 1.00 0.00 H new ATOM 0 H8 G B 10 -2.346 -6.781 13.514 1.00 0.00 H new ATOM 0 H1 G B 10 -4.836 -1.323 15.816 1.00 0.00 H new ATOM 0 H21 G B 10 -7.851 -3.070 15.830 1.00 0.00 H new ATOM 0 H22 G B 10 -7.001 -1.559 16.171 1.00 0.00 H new ATOM 324 P A B 11 -6.274 -6.263 9.339 1.00 0.00 P ATOM 325 OP1 A B 11 -7.094 -6.803 8.231 1.00 0.00 O ATOM 326 OP2 A B 11 -4.986 -5.598 9.040 1.00 0.00 O ATOM 327 O5' A B 11 -7.183 -5.230 10.178 1.00 0.00 O ATOM 328 C5' A B 11 -8.516 -5.545 10.514 1.00 0.00 C ATOM 329 C4' A B 11 -9.127 -4.395 11.317 1.00 0.00 C ATOM 330 O4' A B 11 -8.356 -4.124 12.491 1.00 0.00 O ATOM 331 C3' A B 11 -9.173 -3.084 10.555 1.00 0.00 C ATOM 332 O3' A B 11 -10.277 -3.011 9.676 1.00 0.00 O ATOM 333 C2' A B 11 -9.299 -2.096 11.679 1.00 0.00 C ATOM 334 O2' A B 11 -10.624 -2.094 12.170 1.00 0.00 O ATOM 335 C1' A B 11 -8.376 -2.705 12.727 1.00 0.00 C ATOM 336 N9 A B 11 -7.009 -2.151 12.581 1.00 0.00 N ATOM 337 C8 A B 11 -5.861 -2.773 12.156 1.00 0.00 C ATOM 338 N7 A B 11 -4.799 -2.019 12.209 1.00 0.00 N ATOM 339 C5 A B 11 -5.276 -0.805 12.687 1.00 0.00 C ATOM 340 C6 A B 11 -4.647 0.422 12.965 1.00 0.00 C ATOM 341 N6 A B 11 -3.334 0.626 12.806 1.00 0.00 N ATOM 342 N1 A B 11 -5.420 1.433 13.403 1.00 0.00 N ATOM 343 C2 A B 11 -6.724 1.228 13.563 1.00 0.00 C ATOM 344 N3 A B 11 -7.428 0.124 13.351 1.00 0.00 N ATOM 345 C4 A B 11 -6.626 -0.871 12.904 1.00 0.00 C ATOM 0 H5' A B 11 -8.547 -6.466 11.096 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.098 -5.720 9.609 1.00 0.00 H new ATOM 0 H4' A B 11 -10.138 -4.731 11.547 1.00 0.00 H new ATOM 0 H3' A B 11 -8.312 -2.924 9.906 1.00 0.00 H new ATOM 0 H2' A B 11 -9.058 -1.070 11.400 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.237 -2.369 11.457 1.00 0.00 H new ATOM 0 H1' A B 11 -8.726 -2.479 13.734 1.00 0.00 H new ATOM 0 H8 A B 11 -5.840 -3.795 11.809 1.00 0.00 H new ATOM 0 H61 A B 11 -2.929 1.537 13.023 1.00 0.00 H new ATOM 0 H62 A B 11 -2.738 -0.129 12.468 1.00 0.00 H new ATOM 0 H2 A B 11 -7.289 2.079 13.915 1.00 0.00 H new ATOM 357 P U B 12 -10.063 -2.692 8.118 1.00 0.00 P ATOM 358 OP1 U B 12 -11.359 -2.851 7.421 1.00 0.00 O ATOM 359 OP2 U B 12 -8.870 -3.427 7.645 1.00 0.00 O ATOM 360 O5' U B 12 -9.710 -1.125 8.186 1.00 0.00 O ATOM 361 C5' U B 12 -10.705 -0.183 8.538 1.00 0.00 C ATOM 362 C4' U B 12 -10.062 1.176 8.817 1.00 0.00 C ATOM 363 O4' U B 12 -9.182 1.101 9.936 1.00 0.00 O ATOM 364 C3' U B 12 -9.211 1.673 7.668 1.00 0.00 C ATOM 365 O3' U B 12 -9.992 2.223 6.623 1.00 0.00 O ATOM 366 C2' U B 12 -8.389 2.719 8.382 1.00 0.00 C ATOM 367 O2' U B 12 -9.170 3.877 8.588 1.00 0.00 O ATOM 368 C1' U B 12 -8.134 2.059 9.739 1.00 0.00 C ATOM 369 N1 U B 12 -6.812 1.385 9.740 1.00 0.00 N ATOM 370 C2 U B 12 -5.702 2.181 9.966 1.00 0.00 C ATOM 371 O2 U B 12 -5.801 3.391 10.164 1.00 0.00 O ATOM 372 N3 U B 12 -4.472 1.542 9.959 1.00 0.00 N ATOM 373 C4 U B 12 -4.263 0.189 9.737 1.00 0.00 C ATOM 374 O4 U B 12 -3.126 -0.275 9.739 1.00 0.00 O ATOM 375 C5 U B 12 -5.478 -0.570 9.526 1.00 0.00 C ATOM 376 C6 U B 12 -6.690 0.034 9.535 1.00 0.00 C ATOM 0 H5' U B 12 -11.247 -0.526 9.419 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.433 -0.092 7.732 1.00 0.00 H new ATOM 0 H4' U B 12 -10.899 1.852 8.990 1.00 0.00 H new ATOM 0 H3' U B 12 -8.628 0.903 7.163 1.00 0.00 H new ATOM 0 H2' U B 12 -7.489 3.013 7.841 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.635 4.554 9.052 1.00 0.00 H new ATOM 0 H1' U B 12 -8.127 2.798 10.540 1.00 0.00 H new ATOM 0 H3 U B 12 -3.648 2.118 10.132 1.00 0.00 H new ATOM 0 H5 U B 12 -5.417 -1.635 9.359 1.00 0.00 H new ATOM 0 H6 U B 12 -7.578 -0.560 9.378 1.00 0.00 H new ATOM 387 P G B 13 -9.315 2.651 5.222 1.00 0.00 P ATOM 388 OP1 G B 13 -10.392 3.074 4.300 1.00 0.00 O ATOM 389 OP2 G B 13 -8.383 1.575 4.819 1.00 0.00 O ATOM 390 O5' G B 13 -8.443 3.951 5.604 1.00 0.00 O ATOM 391 C5' G B 13 -9.062 5.205 5.823 1.00 0.00 C ATOM 392 C4' G B 13 -7.989 6.240 6.170 1.00 0.00 C ATOM 393 O4' G B 13 -7.270 5.866 7.339 1.00 0.00 O ATOM 394 C3' G B 13 -6.936 6.343 5.087 1.00 0.00 C ATOM 395 O3' G B 13 -7.370 7.112 3.977 1.00 0.00 O ATOM 396 C2' G B 13 -5.826 7.025 5.848 1.00 0.00 C ATOM 397 O2' G B 13 -6.045 8.420 5.871 1.00 0.00 O ATOM 398 C1' G B 13 -5.977 6.477 7.262 1.00 0.00 C ATOM 399 N9 G B 13 -4.911 5.492 7.516 1.00 0.00 N ATOM 400 C8 G B 13 -4.953 4.131 7.400 1.00 0.00 C ATOM 401 N7 G B 13 -3.822 3.539 7.672 1.00 0.00 N ATOM 402 C5 G B 13 -2.963 4.589 7.984 1.00 0.00 C ATOM 403 C6 G B 13 -1.584 4.573 8.355 1.00 0.00 C ATOM 404 O6 G B 13 -0.836 3.608 8.503 1.00 0.00 O ATOM 405 N1 G B 13 -1.100 5.855 8.558 1.00 0.00 N ATOM 406 C2 G B 13 -1.832 7.013 8.434 1.00 0.00 C ATOM 407 N2 G B 13 -1.186 8.158 8.677 1.00 0.00 N ATOM 408 N3 G B 13 -3.124 7.035 8.093 1.00 0.00 N ATOM 409 C4 G B 13 -3.623 5.790 7.883 1.00 0.00 C ATOM 0 H5' G B 13 -9.788 5.130 6.633 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.609 5.515 4.933 1.00 0.00 H new ATOM 0 H4' G B 13 -8.528 7.179 6.300 1.00 0.00 H new ATOM 0 H3' G B 13 -6.662 5.389 4.637 1.00 0.00 H new ATOM 0 H2' G B 13 -4.843 6.850 5.411 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.794 8.643 5.280 1.00 0.00 H new ATOM 0 H1' G B 13 -5.891 7.263 8.012 1.00 0.00 H new ATOM 0 H8 G B 13 -5.843 3.593 7.109 1.00 0.00 H new ATOM 0 H1 G B 13 -0.119 5.948 8.821 1.00 0.00 H new ATOM 0 H21 G B 13 -1.679 9.048 8.600 1.00 0.00 H new ATOM 0 H22 G B 13 -0.200 8.142 8.939 1.00 0.00 H new ATOM 421 P U B 14 -6.557 7.086 2.577 1.00 0.00 P ATOM 422 OP1 U B 14 -7.288 7.933 1.608 1.00 0.00 O ATOM 423 OP2 U B 14 -6.277 5.671 2.246 1.00 0.00 O ATOM 424 O5' U B 14 -5.147 7.806 2.904 1.00 0.00 O ATOM 425 C5' U B 14 -5.028 9.216 2.929 1.00 0.00 C ATOM 426 C4' U B 14 -3.559 9.614 3.160 1.00 0.00 C ATOM 427 O4' U B 14 -3.085 9.182 4.442 1.00 0.00 O ATOM 428 C3' U B 14 -2.613 8.979 2.153 1.00 0.00 C ATOM 429 O3' U B 14 -2.593 9.636 0.902 1.00 0.00 O ATOM 430 C2' U B 14 -1.305 9.152 2.878 1.00 0.00 C ATOM 431 O2' U B 14 -0.892 10.502 2.812 1.00 0.00 O ATOM 432 C1' U B 14 -1.689 8.836 4.310 1.00 0.00 C ATOM 433 N1 U B 14 -1.491 7.393 4.601 1.00 0.00 N ATOM 434 C2 U B 14 -0.269 7.005 5.132 1.00 0.00 C ATOM 435 O2 U B 14 0.653 7.799 5.309 1.00 0.00 O ATOM 436 N3 U B 14 -0.141 5.665 5.454 1.00 0.00 N ATOM 437 C4 U B 14 -1.113 4.692 5.296 1.00 0.00 C ATOM 438 O4 U B 14 -0.883 3.524 5.599 1.00 0.00 O ATOM 439 C5 U B 14 -2.360 5.189 4.758 1.00 0.00 C ATOM 440 C6 U B 14 -2.503 6.491 4.427 1.00 0.00 C ATOM 0 H5' U B 14 -5.654 9.628 3.720 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.384 9.636 1.989 1.00 0.00 H new ATOM 0 H4' U B 14 -3.557 10.700 3.069 1.00 0.00 H new ATOM 0 H3' U B 14 -2.881 7.956 1.888 1.00 0.00 H new ATOM 0 H2' U B 14 -0.500 8.539 2.474 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.406 10.968 2.120 1.00 0.00 H new ATOM 0 H1' U B 14 -1.070 9.395 5.012 1.00 0.00 H new ATOM 0 H3 U B 14 0.753 5.367 5.844 1.00 0.00 H new ATOM 0 H5 U B 14 -3.188 4.510 4.619 1.00 0.00 H new ATOM 0 H6 U B 14 -3.442 6.828 4.014 1.00 0.00 H new ATOM 451 P C B 15 -1.891 8.938 -0.380 1.00 0.00 P ATOM 452 OP1 C B 15 -1.908 9.909 -1.497 1.00 0.00 O ATOM 453 OP2 C B 15 -2.507 7.605 -0.560 1.00 0.00 O ATOM 454 O5' C B 15 -0.352 8.717 0.073 1.00 0.00 O ATOM 455 C5' C B 15 0.570 9.790 0.082 1.00 0.00 C ATOM 456 C4' C B 15 1.959 9.289 0.504 1.00 0.00 C ATOM 457 O4' C B 15 1.956 8.720 1.819 1.00 0.00 O ATOM 458 C3' C B 15 2.468 8.180 -0.391 1.00 0.00 C ATOM 459 O3' C B 15 2.926 8.658 -1.642 1.00 0.00 O ATOM 460 C2' C B 15 3.596 7.652 0.465 1.00 0.00 C ATOM 461 O2' C B 15 4.699 8.531 0.392 1.00 0.00 O ATOM 462 C1' C B 15 3.006 7.730 1.874 1.00 0.00 C ATOM 463 N1 C B 15 2.474 6.399 2.276 1.00 0.00 N ATOM 464 C2 C B 15 3.402 5.424 2.632 1.00 0.00 C ATOM 465 O2 C B 15 4.604 5.680 2.625 1.00 0.00 O ATOM 466 N3 C B 15 2.943 4.191 2.984 1.00 0.00 N ATOM 467 C4 C B 15 1.630 3.920 2.982 1.00 0.00 C ATOM 468 N4 C B 15 1.221 2.699 3.337 1.00 0.00 N ATOM 469 C5 C B 15 0.664 4.912 2.620 1.00 0.00 C ATOM 470 C6 C B 15 1.132 6.133 2.283 1.00 0.00 C ATOM 0 H5' C B 15 0.231 10.566 0.769 1.00 0.00 H new ATOM 0 H5'' C B 15 0.623 10.242 -0.908 1.00 0.00 H new ATOM 0 H4' C B 15 2.589 10.177 0.447 1.00 0.00 H new ATOM 0 H3' C B 15 1.717 7.442 -0.672 1.00 0.00 H new ATOM 0 H2' C B 15 3.937 6.659 0.171 1.00 0.00 H new ATOM 0 HO2' C B 15 5.429 8.187 0.949 1.00 0.00 H new ATOM 0 H1' C B 15 3.756 8.009 2.614 1.00 0.00 H new ATOM 0 H41 C B 15 0.226 2.476 3.341 1.00 0.00 H new ATOM 0 H42 C B 15 1.904 1.990 3.604 1.00 0.00 H new ATOM 0 H5 C B 15 -0.394 4.693 2.617 1.00 0.00 H new ATOM 0 H6 C B 15 0.435 6.913 2.014 1.00 0.00 H new ATOM 482 P C B 16 3.226 7.637 -2.856 1.00 0.00 P ATOM 483 OP1 C B 16 3.702 8.424 -4.014 1.00 0.00 O ATOM 484 OP2 C B 16 2.051 6.751 -3.005 1.00 0.00 O ATOM 485 O5' C B 16 4.455 6.742 -2.322 1.00 0.00 O ATOM 486 C5' C B 16 5.776 7.244 -2.315 1.00 0.00 C ATOM 487 C4' C B 16 6.727 6.149 -1.822 1.00 0.00 C ATOM 488 O4' C B 16 6.429 5.756 -0.489 1.00 0.00 O ATOM 489 C3' C B 16 6.589 4.876 -2.624 1.00 0.00 C ATOM 490 O3' C B 16 7.202 4.956 -3.893 1.00 0.00 O ATOM 491 C2' C B 16 7.272 3.894 -1.722 1.00 0.00 C ATOM 492 O2' C B 16 8.674 4.020 -1.838 1.00 0.00 O ATOM 493 C1' C B 16 6.827 4.381 -0.348 1.00 0.00 C ATOM 494 N1 C B 16 5.686 3.548 0.097 1.00 0.00 N ATOM 495 C2 C B 16 5.977 2.335 0.713 1.00 0.00 C ATOM 496 O2 C B 16 7.143 2.020 0.945 1.00 0.00 O ATOM 497 N3 C B 16 4.942 1.512 1.040 1.00 0.00 N ATOM 498 C4 C B 16 3.677 1.857 0.762 1.00 0.00 C ATOM 499 N4 C B 16 2.690 1.023 1.102 1.00 0.00 N ATOM 500 C5 C B 16 3.369 3.092 0.105 1.00 0.00 C ATOM 501 C6 C B 16 4.402 3.900 -0.201 1.00 0.00 C ATOM 0 H5' C B 16 5.842 8.119 -1.668 1.00 0.00 H new ATOM 0 H5'' C B 16 6.061 7.566 -3.317 1.00 0.00 H new ATOM 0 H4' C B 16 7.722 6.585 -1.914 1.00 0.00 H new ATOM 0 H3' C B 16 5.558 4.620 -2.870 1.00 0.00 H new ATOM 0 H2' C B 16 7.032 2.852 -1.935 1.00 0.00 H new ATOM 0 HO2' C B 16 8.900 4.344 -2.735 1.00 0.00 H new ATOM 0 HO3' C B 16 7.084 4.107 -4.367 1.00 0.00 H new ATOM 0 H1' C B 16 7.625 4.303 0.391 1.00 0.00 H new ATOM 0 H41 C B 16 1.721 1.269 0.898 1.00 0.00 H new ATOM 0 H42 C B 16 2.905 0.140 1.565 1.00 0.00 H new ATOM 0 H5 C B 16 2.352 3.364 -0.135 1.00 0.00 H new ATOM 0 H6 C B 16 4.211 4.843 -0.691 1.00 0.00 H new TER 514 C B 16