USER MOD reduce.3.24.130724 H: found=0, std=0, add=183, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 183 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 U O2' : rot -17:sc= -0.499 USER MOD Single : A 1 U O5' : rot 180:sc= -0.217 USER MOD Single : A 2 G O2' : rot 33:sc= -5.2! USER MOD Single : A 3 A O2' : rot -168:sc= -3.42! USER MOD Single : A 4 G O2' : rot 180:sc= -0.687 USER MOD Single : A 5 C O2' : rot -107:sc= 0.383! USER MOD Single : A 6 U O2' : rot -5:sc= -0.308 USER MOD Single : A 7 C O2' : rot -19:sc= 0.28 USER MOD Single : A 8 A O2' : rot -20:sc= 0.177 USER MOD Single : A 9 G O2' : rot -21:sc= 0.156 USER MOD Single : A 10 U O2' : rot -91:sc= 0.411 USER MOD Single : A 11 U O2' : rot -151:sc= -4.52! USER MOD Single : A 12 U O2' : rot -96:sc= 1.47 USER MOD Single : A 13 G O2' : rot -164:sc= -2.47! USER MOD Single : A 14 C O2' : rot -120:sc= -0.127 USER MOD Single : A 15 U O2' : rot -157:sc= -2.36! USER MOD Single : A 16 C O2' : rot 1:sc= -5.52! USER MOD Single : A 17 A O2' : rot -21:sc= 0.139 USER MOD Single : A 17 A O3' : rot 180:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 19.264 28.774 16.801 1.00 0.38 O ATOM 2 C5' U A 1 18.701 30.073 16.926 1.00 0.31 C ATOM 3 C4' U A 1 17.662 30.125 18.055 1.00 0.24 C ATOM 4 O4' U A 1 16.424 29.564 17.632 1.00 0.26 O ATOM 5 C3' U A 1 18.133 29.329 19.270 1.00 0.25 C ATOM 6 O3' U A 1 18.969 30.116 20.131 1.00 0.28 O ATOM 7 C2' U A 1 16.804 28.985 19.918 1.00 0.28 C ATOM 8 O2' U A 1 16.327 30.068 20.725 1.00 0.31 O ATOM 9 C1' U A 1 15.904 28.771 18.698 1.00 0.28 C ATOM 10 N1 U A 1 15.863 27.346 18.305 1.00 0.33 N ATOM 11 C2 U A 1 15.047 26.495 19.027 1.00 0.44 C ATOM 12 O2 U A 1 14.379 26.877 19.977 1.00 0.52 O ATOM 13 N3 U A 1 15.019 25.184 18.608 1.00 0.54 N ATOM 14 C4 U A 1 15.724 24.648 17.554 1.00 0.55 C ATOM 15 O4 U A 1 15.605 23.461 17.270 1.00 0.67 O ATOM 16 C5 U A 1 16.550 25.596 16.855 1.00 0.49 C ATOM 17 C6 U A 1 16.596 26.894 17.240 1.00 0.39 C ATOM 0 H5' U A 1 18.233 30.361 15.985 1.00 0.31 H new ATOM 0 H5'' U A 1 19.492 30.797 17.123 1.00 0.31 H new ATOM 0 H4' U A 1 17.534 31.175 18.317 1.00 0.24 H new ATOM 0 H3' U A 1 18.751 28.463 19.033 1.00 0.25 H new ATOM 0 H2' U A 1 16.850 28.128 20.590 1.00 0.28 H new ATOM 0 HO2' U A 1 17.064 30.687 20.910 1.00 0.31 H new ATOM 0 HO5' U A 1 19.921 28.771 16.074 1.00 0.38 H new ATOM 0 H1' U A 1 14.883 29.067 18.937 1.00 0.28 H new ATOM 0 H3 U A 1 14.417 24.547 19.130 1.00 0.54 H new ATOM 0 H5 U A 1 17.141 25.269 16.012 1.00 0.49 H new ATOM 0 H6 U A 1 17.223 27.586 16.697 1.00 0.39 H new ATOM 29 P G A 2 20.102 29.425 21.048 1.00 0.34 P ATOM 30 OP1 G A 2 20.646 30.437 21.980 1.00 0.40 O ATOM 31 OP2 G A 2 21.035 28.698 20.161 1.00 0.46 O ATOM 32 O5' G A 2 19.250 28.338 21.891 1.00 0.31 O ATOM 33 C5' G A 2 18.374 28.750 22.935 1.00 0.28 C ATOM 34 C4' G A 2 17.978 27.591 23.838 1.00 0.23 C ATOM 35 O4' G A 2 17.138 26.674 23.143 1.00 0.27 O ATOM 36 C3' G A 2 19.209 26.829 24.321 1.00 0.21 C ATOM 37 O3' G A 2 19.753 27.394 25.533 1.00 0.23 O ATOM 38 C2' G A 2 18.647 25.421 24.529 1.00 0.22 C ATOM 39 O2' G A 2 18.153 25.228 25.847 1.00 0.27 O ATOM 40 C1' G A 2 17.525 25.345 23.498 1.00 0.25 C ATOM 41 N9 G A 2 17.989 24.594 22.317 1.00 0.26 N ATOM 42 C8 G A 2 18.345 25.070 21.091 1.00 0.31 C ATOM 43 N7 G A 2 18.774 24.177 20.257 1.00 0.32 N ATOM 44 C5 G A 2 18.704 22.995 20.988 1.00 0.28 C ATOM 45 C6 G A 2 19.043 21.669 20.603 1.00 0.28 C ATOM 46 O6 G A 2 19.493 21.276 19.534 1.00 0.32 O ATOM 47 N1 G A 2 18.815 20.769 21.625 1.00 0.27 N ATOM 48 C2 G A 2 18.325 21.089 22.870 1.00 0.27 C ATOM 49 N2 G A 2 18.133 20.070 23.692 1.00 0.35 N ATOM 50 N3 G A 2 18.004 22.334 23.250 1.00 0.25 N ATOM 51 C4 G A 2 18.215 23.233 22.257 1.00 0.24 C ATOM 0 H5' G A 2 17.478 29.195 22.502 1.00 0.28 H new ATOM 0 H5'' G A 2 18.858 29.524 23.530 1.00 0.28 H new ATOM 0 H4' G A 2 17.447 28.016 24.690 1.00 0.23 H new ATOM 0 H3' G A 2 20.049 26.860 23.627 1.00 0.21 H new ATOM 0 H2' G A 2 19.403 24.645 24.406 1.00 0.22 H new ATOM 0 HO2' G A 2 17.783 26.071 26.184 1.00 0.27 H new ATOM 0 H1' G A 2 16.662 24.824 23.912 1.00 0.25 H new ATOM 0 H8 G A 2 18.275 26.116 20.833 1.00 0.31 H new ATOM 0 H1 G A 2 19.027 19.788 21.442 1.00 0.27 H new ATOM 0 H21 G A 2 17.772 20.234 24.632 1.00 0.35 H new ATOM 0 H22 G A 2 18.346 19.121 23.386 1.00 0.35 H new ATOM 63 P A A 3 21.312 27.206 25.933 1.00 0.19 P ATOM 64 OP1 A A 3 21.635 28.118 27.041 1.00 0.27 O ATOM 65 OP2 A A 3 22.128 27.264 24.703 1.00 0.25 O ATOM 66 O5' A A 3 21.359 25.703 26.493 1.00 0.23 O ATOM 67 C5' A A 3 20.355 25.248 27.393 1.00 0.20 C ATOM 68 C4' A A 3 20.372 23.729 27.542 1.00 0.18 C ATOM 69 O4' A A 3 19.699 23.085 26.459 1.00 0.21 O ATOM 70 C3' A A 3 21.777 23.142 27.555 1.00 0.19 C ATOM 71 O3' A A 3 22.452 23.343 28.798 1.00 0.22 O ATOM 72 C2' A A 3 21.396 21.677 27.338 1.00 0.20 C ATOM 73 O2' A A 3 20.830 21.129 28.529 1.00 0.24 O ATOM 74 C1' A A 3 20.353 21.822 26.250 1.00 0.20 C ATOM 75 N9 A A 3 20.997 21.730 24.912 1.00 0.21 N ATOM 76 C8 A A 3 21.437 22.718 24.095 1.00 0.21 C ATOM 77 N7 A A 3 21.930 22.318 22.981 1.00 0.21 N ATOM 78 C5 A A 3 21.836 20.966 23.062 1.00 0.20 C ATOM 79 C6 A A 3 22.192 19.980 22.185 1.00 0.21 C ATOM 80 N6 A A 3 22.787 20.205 21.008 1.00 0.25 N ATOM 81 N1 A A 3 21.962 18.728 22.558 1.00 0.25 N ATOM 82 C2 A A 3 21.388 18.477 23.730 1.00 0.26 C ATOM 83 N3 A A 3 21.004 19.362 24.643 1.00 0.24 N ATOM 84 C4 A A 3 21.262 20.588 24.228 1.00 0.20 C ATOM 0 H5' A A 3 19.376 25.567 27.036 1.00 0.20 H new ATOM 0 H5'' A A 3 20.505 25.710 28.369 1.00 0.20 H new ATOM 0 H4' A A 3 19.876 23.550 28.496 1.00 0.18 H new ATOM 0 H3' A A 3 22.475 23.573 26.837 1.00 0.19 H new ATOM 0 H2' A A 3 22.223 21.014 27.083 1.00 0.20 H new ATOM 0 HO2' A A 3 20.767 20.155 28.443 1.00 0.24 H new ATOM 0 H1' A A 3 19.613 21.022 26.289 1.00 0.20 H new ATOM 0 H8 A A 3 21.377 23.763 24.362 1.00 0.21 H new ATOM 0 H61 A A 3 23.026 19.422 20.400 1.00 0.25 H new ATOM 0 H62 A A 3 23.001 21.159 20.719 1.00 0.25 H new ATOM 0 H2 A A 3 21.214 17.438 23.966 1.00 0.26 H new ATOM 96 P G A 4 24.023 22.994 28.920 1.00 0.26 P ATOM 97 OP1 G A 4 24.370 22.949 30.358 1.00 0.36 O ATOM 98 OP2 G A 4 24.775 23.900 28.027 1.00 0.36 O ATOM 99 O5' G A 4 24.097 21.497 28.332 1.00 0.26 O ATOM 100 C5' G A 4 23.546 20.406 29.077 1.00 0.25 C ATOM 101 C4' G A 4 23.785 19.065 28.403 1.00 0.21 C ATOM 102 O4' G A 4 23.120 18.963 27.147 1.00 0.24 O ATOM 103 C3' G A 4 25.263 18.853 28.137 1.00 0.20 C ATOM 104 O3' G A 4 25.962 18.432 29.311 1.00 0.21 O ATOM 105 C2' G A 4 25.197 17.780 27.055 1.00 0.24 C ATOM 106 O2' G A 4 24.984 16.477 27.610 1.00 0.31 O ATOM 107 C1' G A 4 23.987 18.251 26.255 1.00 0.23 C ATOM 108 N9 G A 4 24.424 19.115 25.158 1.00 0.22 N ATOM 109 C8 G A 4 24.665 20.454 25.165 1.00 0.23 C ATOM 110 N7 G A 4 25.149 20.932 24.058 1.00 0.25 N ATOM 111 C5 G A 4 25.233 19.810 23.236 1.00 0.23 C ATOM 112 C6 G A 4 25.694 19.695 21.901 1.00 0.26 C ATOM 113 O6 G A 4 26.135 20.581 21.173 1.00 0.34 O ATOM 114 N1 G A 4 25.619 18.388 21.447 1.00 0.28 N ATOM 115 C2 G A 4 25.141 17.321 22.179 1.00 0.27 C ATOM 116 N2 G A 4 25.131 16.140 21.561 1.00 0.35 N ATOM 117 N3 G A 4 24.711 17.414 23.439 1.00 0.25 N ATOM 118 C4 G A 4 24.786 18.686 23.898 1.00 0.21 C ATOM 0 H5' G A 4 22.474 20.560 29.203 1.00 0.25 H new ATOM 0 H5'' G A 4 23.986 20.392 30.074 1.00 0.25 H new ATOM 0 H4' G A 4 23.393 18.314 29.089 1.00 0.21 H new ATOM 0 H3' G A 4 25.813 19.745 27.838 1.00 0.20 H new ATOM 0 H2' G A 4 26.112 17.676 26.472 1.00 0.24 H new ATOM 0 HO2' G A 4 24.946 15.816 26.888 1.00 0.31 H new ATOM 0 H1' G A 4 23.456 17.403 25.822 1.00 0.23 H new ATOM 0 H8 G A 4 24.468 21.074 26.027 1.00 0.23 H new ATOM 0 H1 G A 4 25.942 18.200 20.498 1.00 0.28 H new ATOM 0 H21 G A 4 24.789 15.312 22.049 1.00 0.35 H new ATOM 0 H22 G A 4 25.465 16.064 20.600 1.00 0.35 H new ATOM 130 P C A 5 27.438 18.988 29.631 1.00 0.23 P ATOM 131 OP1 C A 5 27.757 18.693 31.047 1.00 0.36 O ATOM 132 OP2 C A 5 27.537 20.385 29.146 1.00 0.28 O ATOM 133 O5' C A 5 28.348 18.038 28.695 1.00 0.27 O ATOM 134 C5' C A 5 28.085 16.636 28.668 1.00 0.29 C ATOM 135 C4' C A 5 28.687 15.960 27.452 1.00 0.28 C ATOM 136 O4' C A 5 27.988 16.350 26.277 1.00 0.29 O ATOM 137 C3' C A 5 30.137 16.349 27.276 1.00 0.26 C ATOM 138 O3' C A 5 31.015 15.505 28.031 1.00 0.29 O ATOM 139 C2' C A 5 30.325 16.179 25.770 1.00 0.28 C ATOM 140 O2' C A 5 30.776 14.860 25.434 1.00 0.33 O ATOM 141 C1' C A 5 28.924 16.443 25.215 1.00 0.28 C ATOM 142 N1 C A 5 28.857 17.767 24.555 1.00 0.29 N ATOM 143 C2 C A 5 29.147 17.820 23.199 1.00 0.31 C ATOM 144 O2 C A 5 29.492 16.801 22.601 1.00 0.34 O ATOM 145 N3 C A 5 29.059 19.017 22.562 1.00 0.33 N ATOM 146 C4 C A 5 28.707 20.126 23.230 1.00 0.33 C ATOM 147 N4 C A 5 28.619 21.280 22.569 1.00 0.37 N ATOM 148 C5 C A 5 28.420 20.073 24.633 1.00 0.30 C ATOM 149 C6 C A 5 28.504 18.881 25.247 1.00 0.28 C ATOM 0 H5' C A 5 27.008 16.471 28.676 1.00 0.29 H new ATOM 0 H5'' C A 5 28.485 16.176 29.572 1.00 0.29 H new ATOM 0 H4' C A 5 28.609 14.884 27.607 1.00 0.28 H new ATOM 0 H3' C A 5 30.371 17.351 27.635 1.00 0.26 H new ATOM 0 H2' C A 5 31.085 16.846 25.362 1.00 0.28 H new ATOM 0 HO2' C A 5 31.720 14.894 25.172 1.00 0.33 H new ATOM 0 H1' C A 5 28.684 15.697 24.458 1.00 0.28 H new ATOM 0 H41 C A 5 28.353 22.132 23.063 1.00 0.37 H new ATOM 0 H42 C A 5 28.818 21.311 21.569 1.00 0.37 H new ATOM 0 H5 C A 5 28.145 20.963 25.179 1.00 0.30 H new ATOM 0 H6 C A 5 28.288 18.808 26.303 1.00 0.28 H new ATOM 161 P U A 6 32.616 15.613 27.849 1.00 0.29 P ATOM 162 OP1 U A 6 33.270 14.930 28.985 1.00 0.35 O ATOM 163 OP2 U A 6 32.958 17.021 27.553 1.00 0.36 O ATOM 164 O5' U A 6 32.863 14.750 26.500 1.00 0.27 O ATOM 165 C5' U A 6 33.012 13.335 26.545 1.00 0.26 C ATOM 166 C4' U A 6 33.591 12.778 25.252 1.00 0.24 C ATOM 167 O4' U A 6 32.792 13.177 24.154 1.00 0.27 O ATOM 168 C3' U A 6 35.017 13.274 25.044 1.00 0.23 C ATOM 169 O3' U A 6 35.973 12.293 25.438 1.00 0.28 O ATOM 170 C2' U A 6 35.083 13.525 23.539 1.00 0.24 C ATOM 171 O2' U A 6 35.703 12.444 22.838 1.00 0.37 O ATOM 172 C1' U A 6 33.629 13.675 23.123 1.00 0.24 C ATOM 173 N1 U A 6 33.310 15.086 22.841 1.00 0.23 N ATOM 174 C2 U A 6 33.284 15.482 21.525 1.00 0.28 C ATOM 175 O2 U A 6 33.544 14.718 20.617 1.00 0.40 O ATOM 176 N3 U A 6 32.960 16.798 21.291 1.00 0.27 N ATOM 177 C4 U A 6 32.655 17.741 22.231 1.00 0.25 C ATOM 178 O4 U A 6 32.353 18.877 21.875 1.00 0.28 O ATOM 179 C5 U A 6 32.709 17.254 23.587 1.00 0.29 C ATOM 180 C6 U A 6 33.034 15.964 23.848 1.00 0.27 C ATOM 0 H5' U A 6 32.042 12.875 26.735 1.00 0.26 H new ATOM 0 H5'' U A 6 33.661 13.066 27.378 1.00 0.26 H new ATOM 0 H4' U A 6 33.601 11.690 25.322 1.00 0.24 H new ATOM 0 H3' U A 6 35.248 14.157 25.639 1.00 0.23 H new ATOM 0 H2' U A 6 35.687 14.401 23.303 1.00 0.24 H new ATOM 0 HO2' U A 6 36.040 11.787 23.482 1.00 0.37 H new ATOM 0 H1' U A 6 33.460 13.103 22.211 1.00 0.24 H new ATOM 0 H3 U A 6 32.946 17.100 20.317 1.00 0.27 H new ATOM 0 H5 U A 6 32.488 17.925 24.404 1.00 0.29 H new ATOM 0 H6 U A 6 33.075 15.625 24.873 1.00 0.27 H new ATOM 191 P C A 7 37.454 12.726 25.908 1.00 0.28 P ATOM 192 OP1 C A 7 38.307 11.530 25.909 1.00 0.35 O ATOM 193 OP2 C A 7 37.319 13.524 27.149 1.00 0.35 O ATOM 194 O5' C A 7 37.914 13.726 24.729 1.00 0.30 O ATOM 195 C5' C A 7 38.625 13.248 23.593 1.00 0.33 C ATOM 196 C4' C A 7 39.022 14.365 22.675 1.00 0.33 C ATOM 197 O4' C A 7 37.870 15.050 22.232 1.00 0.35 O ATOM 198 C3' C A 7 39.925 15.337 23.428 1.00 0.33 C ATOM 199 O3' C A 7 41.309 15.056 23.198 1.00 0.38 O ATOM 200 C2' C A 7 39.522 16.672 22.849 1.00 0.35 C ATOM 201 O2' C A 7 40.390 17.044 21.760 1.00 0.40 O ATOM 202 C1' C A 7 38.092 16.441 22.374 1.00 0.36 C ATOM 203 N1 C A 7 37.097 17.055 23.312 1.00 0.41 N ATOM 204 C2 C A 7 36.492 18.225 22.911 1.00 0.56 C ATOM 205 O2 C A 7 36.748 18.707 21.808 1.00 0.66 O ATOM 206 N3 C A 7 35.606 18.807 23.746 1.00 0.63 N ATOM 207 C4 C A 7 35.324 18.271 24.929 1.00 0.56 C ATOM 208 N4 C A 7 34.429 18.876 25.721 1.00 0.66 N ATOM 209 C5 C A 7 35.942 17.050 25.358 1.00 0.44 C ATOM 210 C6 C A 7 36.823 16.471 24.523 1.00 0.37 C ATOM 0 H5' C A 7 38.005 12.534 23.050 1.00 0.33 H new ATOM 0 H5'' C A 7 39.516 12.712 23.921 1.00 0.33 H new ATOM 0 H4' C A 7 39.553 13.955 21.815 1.00 0.33 H new ATOM 0 H3' C A 7 39.812 15.284 24.511 1.00 0.33 H new ATOM 0 H2' C A 7 39.594 17.489 23.567 1.00 0.35 H new ATOM 0 HO2' C A 7 41.219 16.523 21.810 1.00 0.40 H new ATOM 0 H1' C A 7 37.956 16.927 21.408 1.00 0.36 H new ATOM 0 H41 C A 7 34.202 18.477 26.632 1.00 0.66 H new ATOM 0 H42 C A 7 33.975 19.736 25.413 1.00 0.66 H new ATOM 0 H5 C A 7 35.708 16.611 26.317 1.00 0.44 H new ATOM 0 H6 C A 7 37.313 15.550 24.804 1.00 0.37 H new ATOM 222 P A A 8 42.360 15.122 24.401 1.00 0.33 P ATOM 223 OP1 A A 8 43.401 14.098 24.145 1.00 0.43 O ATOM 224 OP2 A A 8 41.636 15.085 25.689 1.00 0.40 O ATOM 225 O5' A A 8 43.026 16.572 24.229 1.00 0.30 O ATOM 226 C5' A A 8 44.106 16.960 25.079 1.00 0.33 C ATOM 227 C4' A A 8 44.750 18.262 24.631 1.00 0.29 C ATOM 228 O4' A A 8 45.381 18.111 23.372 1.00 0.32 O ATOM 229 C3' A A 8 43.706 19.361 24.511 1.00 0.27 C ATOM 230 O3' A A 8 43.512 20.033 25.761 1.00 0.31 O ATOM 231 C2' A A 8 44.328 20.268 23.454 1.00 0.28 C ATOM 232 O2' A A 8 45.202 21.235 24.048 1.00 0.32 O ATOM 233 C1' A A 8 45.092 19.271 22.584 1.00 0.28 C ATOM 234 N9 A A 8 44.298 18.915 21.386 1.00 0.28 N ATOM 235 C8 A A 8 43.652 17.746 21.097 1.00 0.31 C ATOM 236 N7 A A 8 43.057 17.728 19.955 1.00 0.36 N ATOM 237 C5 A A 8 43.339 18.988 19.432 1.00 0.35 C ATOM 238 C6 A A 8 42.997 19.613 18.229 1.00 0.42 C ATOM 239 N6 A A 8 42.274 19.019 17.278 1.00 0.48 N ATOM 240 N1 A A 8 43.435 20.868 18.043 1.00 0.45 N ATOM 241 C2 A A 8 44.172 21.464 18.978 1.00 0.42 C ATOM 242 N3 A A 8 44.545 20.968 20.150 1.00 0.36 N ATOM 243 C4 A A 8 44.096 19.715 20.300 1.00 0.31 C ATOM 0 H5' A A 8 44.858 16.171 25.092 1.00 0.33 H new ATOM 0 H5'' A A 8 43.741 17.070 26.100 1.00 0.33 H new ATOM 0 H4' A A 8 45.492 18.530 25.383 1.00 0.29 H new ATOM 0 H3' A A 8 42.711 19.007 24.243 1.00 0.27 H new ATOM 0 H2' A A 8 43.601 20.860 22.897 1.00 0.28 H new ATOM 0 HO2' A A 8 44.990 21.326 25.001 1.00 0.32 H new ATOM 0 H1' A A 8 46.025 19.716 22.237 1.00 0.28 H new ATOM 0 H8 A A 8 43.641 16.904 21.773 1.00 0.31 H new ATOM 0 H61 A A 8 42.052 19.520 16.418 1.00 0.48 H new ATOM 0 H62 A A 8 41.943 18.063 17.411 1.00 0.48 H new ATOM 0 H2 A A 8 44.505 22.467 18.756 1.00 0.42 H new ATOM 255 P G A 9 42.030 20.183 26.390 1.00 0.30 P ATOM 256 OP1 G A 9 42.156 20.495 27.828 1.00 0.38 O ATOM 257 OP2 G A 9 41.217 19.022 25.972 1.00 0.35 O ATOM 258 O5' G A 9 41.489 21.485 25.624 1.00 0.30 O ATOM 259 C5' G A 9 42.251 22.695 25.636 1.00 0.26 C ATOM 260 C4' G A 9 42.007 23.533 24.409 1.00 0.21 C ATOM 261 O4' G A 9 42.426 22.870 23.233 1.00 0.24 O ATOM 262 C3' G A 9 40.531 23.827 24.240 1.00 0.20 C ATOM 263 O3' G A 9 40.087 24.879 25.105 1.00 0.22 O ATOM 264 C2' G A 9 40.493 24.232 22.764 1.00 0.24 C ATOM 265 O2' G A 9 40.796 25.622 22.597 1.00 0.33 O ATOM 266 C1' G A 9 41.606 23.359 22.162 1.00 0.22 C ATOM 267 N9 G A 9 41.060 22.245 21.354 1.00 0.22 N ATOM 268 C8 G A 9 40.685 20.989 21.738 1.00 0.26 C ATOM 269 N7 G A 9 40.230 20.236 20.786 1.00 0.30 N ATOM 270 C5 G A 9 40.297 21.049 19.670 1.00 0.27 C ATOM 271 C6 G A 9 39.944 20.778 18.311 1.00 0.31 C ATOM 272 O6 G A 9 39.460 19.744 17.826 1.00 0.39 O ATOM 273 N1 G A 9 40.196 21.868 17.502 1.00 0.31 N ATOM 274 C2 G A 9 40.713 23.075 17.921 1.00 0.28 C ATOM 275 N2 G A 9 40.889 23.981 16.979 1.00 0.31 N ATOM 276 N3 G A 9 41.049 23.342 19.192 1.00 0.25 N ATOM 277 C4 G A 9 40.818 22.287 20.006 1.00 0.23 C ATOM 0 H5' G A 9 43.312 22.454 25.704 1.00 0.26 H new ATOM 0 H5'' G A 9 41.998 23.273 26.525 1.00 0.26 H new ATOM 0 H4' G A 9 42.577 24.451 24.551 1.00 0.21 H new ATOM 0 H3' G A 9 39.872 22.998 24.496 1.00 0.20 H new ATOM 0 H2' G A 9 39.517 24.092 22.300 1.00 0.24 H new ATOM 0 HO2' G A 9 40.643 26.094 23.442 1.00 0.33 H new ATOM 0 H1' G A 9 42.205 23.963 21.481 1.00 0.22 H new ATOM 0 H8 G A 9 40.762 20.648 22.760 1.00 0.26 H new ATOM 0 H1 G A 9 39.981 21.772 16.510 1.00 0.31 H new ATOM 0 H21 G A 9 41.268 24.897 17.217 1.00 0.31 H new ATOM 0 H22 G A 9 40.646 23.765 16.012 1.00 0.31 H new ATOM 289 P U A 10 38.568 24.891 25.643 1.00 0.19 P ATOM 290 OP1 U A 10 38.497 25.803 26.805 1.00 0.27 O ATOM 291 OP2 U A 10 38.091 23.497 25.795 1.00 0.24 O ATOM 292 O5' U A 10 37.775 25.575 24.416 1.00 0.24 O ATOM 293 C5' U A 10 36.795 24.843 23.685 1.00 0.25 C ATOM 294 C4' U A 10 35.796 25.768 22.991 1.00 0.25 C ATOM 295 O4' U A 10 35.095 26.552 23.947 1.00 0.28 O ATOM 296 C3' U A 10 36.510 26.702 22.014 1.00 0.25 C ATOM 297 O3' U A 10 36.490 26.182 20.676 1.00 0.24 O ATOM 298 C2' U A 10 35.707 27.998 22.134 1.00 0.30 C ATOM 299 O2' U A 10 34.651 28.067 21.162 1.00 0.37 O ATOM 300 C1' U A 10 35.137 27.921 23.545 1.00 0.28 C ATOM 301 N1 U A 10 35.954 28.712 24.484 1.00 0.27 N ATOM 302 C2 U A 10 35.482 29.962 24.837 1.00 0.28 C ATOM 303 O2 U A 10 34.431 30.421 24.384 1.00 0.33 O ATOM 304 N3 U A 10 36.243 30.670 25.735 1.00 0.30 N ATOM 305 C4 U A 10 37.423 30.256 26.311 1.00 0.32 C ATOM 306 O4 U A 10 38.015 30.978 27.110 1.00 0.38 O ATOM 307 C5 U A 10 37.857 28.940 25.889 1.00 0.32 C ATOM 308 C6 U A 10 37.126 28.218 25.001 1.00 0.30 C ATOM 0 H5' U A 10 36.262 24.174 24.361 1.00 0.25 H new ATOM 0 H5'' U A 10 37.289 24.218 22.941 1.00 0.25 H new ATOM 0 H4' U A 10 35.091 25.142 22.443 1.00 0.25 H new ATOM 0 H3' U A 10 37.568 26.834 22.239 1.00 0.25 H new ATOM 0 H2' U A 10 36.316 28.884 21.956 1.00 0.30 H new ATOM 0 HO2' U A 10 34.980 28.510 20.352 1.00 0.37 H new ATOM 0 H1' U A 10 34.130 28.338 23.554 1.00 0.28 H new ATOM 0 H3 U A 10 35.900 31.593 26.001 1.00 0.30 H new ATOM 0 H5 U A 10 38.773 28.528 26.285 1.00 0.32 H new ATOM 0 H6 U A 10 37.472 27.241 24.697 1.00 0.30 H new ATOM 319 P U A 11 36.877 27.129 19.425 1.00 0.25 P ATOM 320 OP1 U A 11 38.161 27.784 19.724 1.00 0.33 O ATOM 321 OP2 U A 11 35.706 27.962 19.085 1.00 0.37 O ATOM 322 O5' U A 11 37.112 26.092 18.233 1.00 0.27 O ATOM 323 C5' U A 11 38.022 26.414 17.182 1.00 0.29 C ATOM 324 C4' U A 11 37.875 25.454 16.010 1.00 0.24 C ATOM 325 O4' U A 11 38.365 24.171 16.371 1.00 0.26 O ATOM 326 C3' U A 11 36.407 25.297 15.595 1.00 0.20 C ATOM 327 O3' U A 11 36.289 25.031 14.191 1.00 0.22 O ATOM 328 C2' U A 11 35.948 24.076 16.425 1.00 0.18 C ATOM 329 O2' U A 11 35.047 23.282 15.666 1.00 0.24 O ATOM 330 C1' U A 11 37.266 23.316 16.692 1.00 0.21 C ATOM 331 N1 U A 11 37.348 22.888 18.116 1.00 0.23 N ATOM 332 C2 U A 11 36.900 21.627 18.442 1.00 0.28 C ATOM 333 O2 U A 11 36.483 20.846 17.610 1.00 0.31 O ATOM 334 N3 U A 11 36.959 21.280 19.770 1.00 0.34 N ATOM 335 C4 U A 11 37.417 22.055 20.796 1.00 0.34 C ATOM 336 O4 U A 11 37.419 21.619 21.942 1.00 0.42 O ATOM 337 C5 U A 11 37.870 23.359 20.384 1.00 0.30 C ATOM 338 C6 U A 11 37.826 23.732 19.083 1.00 0.26 C ATOM 0 H5' U A 11 39.044 26.377 17.559 1.00 0.29 H new ATOM 0 H5'' U A 11 37.844 27.435 16.843 1.00 0.29 H new ATOM 0 H4' U A 11 38.444 25.868 15.178 1.00 0.24 H new ATOM 0 H3' U A 11 35.813 26.194 15.771 1.00 0.20 H new ATOM 0 H2' U A 11 35.422 24.342 17.341 1.00 0.18 H new ATOM 0 HO2' U A 11 34.427 22.822 16.270 1.00 0.24 H new ATOM 0 H1' U A 11 37.298 22.422 16.070 1.00 0.21 H new ATOM 0 H3 U A 11 36.626 20.347 20.014 1.00 0.34 H new ATOM 0 H5 U A 11 38.250 24.049 21.123 1.00 0.30 H new ATOM 0 H6 U A 11 38.175 24.715 18.802 1.00 0.26 H new ATOM 349 P U A 12 34.838 24.997 13.482 1.00 0.20 P ATOM 350 OP1 U A 12 34.842 25.970 12.378 1.00 0.29 O ATOM 351 OP2 U A 12 33.786 25.068 14.520 1.00 0.25 O ATOM 352 O5' U A 12 34.853 23.512 12.837 1.00 0.22 O ATOM 353 C5' U A 12 33.744 22.622 12.944 1.00 0.23 C ATOM 354 C4' U A 12 34.198 21.193 13.294 1.00 0.20 C ATOM 355 O4' U A 12 34.729 21.117 14.617 1.00 0.21 O ATOM 356 C3' U A 12 33.045 20.230 13.159 1.00 0.20 C ATOM 357 O3' U A 12 33.372 19.207 12.231 1.00 0.21 O ATOM 358 C2' U A 12 32.824 19.675 14.570 1.00 0.23 C ATOM 359 O2' U A 12 32.588 18.265 14.538 1.00 0.30 O ATOM 360 C1' U A 12 34.115 20.012 15.292 1.00 0.20 C ATOM 361 N1 U A 12 33.835 20.357 16.726 1.00 0.19 N ATOM 362 C2 U A 12 33.463 19.359 17.585 1.00 0.20 C ATOM 363 O2 U A 12 33.331 18.223 17.237 1.00 0.25 O ATOM 364 N3 U A 12 33.244 19.714 18.883 1.00 0.24 N ATOM 365 C4 U A 12 33.358 20.959 19.421 1.00 0.29 C ATOM 366 O4 U A 12 33.150 21.153 20.622 1.00 0.37 O ATOM 367 C5 U A 12 33.740 21.954 18.463 1.00 0.28 C ATOM 368 C6 U A 12 33.961 21.624 17.166 1.00 0.23 C ATOM 0 H5' U A 12 33.194 22.610 12.003 1.00 0.23 H new ATOM 0 H5'' U A 12 33.058 22.985 13.709 1.00 0.23 H new ATOM 0 H4' U A 12 34.988 20.921 12.593 1.00 0.20 H new ATOM 0 H3' U A 12 32.139 20.703 12.779 1.00 0.20 H new ATOM 0 H2' U A 12 31.949 20.098 15.063 1.00 0.23 H new ATOM 0 HO2' U A 12 31.623 18.094 14.551 1.00 0.30 H new ATOM 0 H1' U A 12 34.786 19.153 15.283 1.00 0.20 H new ATOM 0 H3 U A 12 32.965 18.967 19.519 1.00 0.24 H new ATOM 0 H5 U A 12 33.853 22.981 18.778 1.00 0.28 H new ATOM 0 H6 U A 12 34.245 22.397 16.468 1.00 0.23 H new ATOM 379 P G A 13 32.373 18.936 10.991 1.00 0.20 P ATOM 380 OP1 G A 13 33.088 18.187 9.933 1.00 0.26 O ATOM 381 OP2 G A 13 31.669 20.180 10.640 1.00 0.28 O ATOM 382 O5' G A 13 31.273 17.972 11.668 1.00 0.19 O ATOM 383 C5' G A 13 31.505 16.573 11.740 1.00 0.29 C ATOM 384 C4' G A 13 30.726 15.903 12.850 1.00 0.25 C ATOM 385 O4' G A 13 31.192 16.305 14.132 1.00 0.29 O ATOM 386 C3' G A 13 29.259 16.270 12.772 1.00 0.23 C ATOM 387 O3' G A 13 28.545 15.465 11.830 1.00 0.24 O ATOM 388 C2' G A 13 28.820 15.993 14.201 1.00 0.25 C ATOM 389 O2' G A 13 28.431 14.630 14.361 1.00 0.29 O ATOM 390 C1' G A 13 30.076 16.294 15.015 1.00 0.26 C ATOM 391 N9 G A 13 29.953 17.572 15.754 1.00 0.25 N ATOM 392 C8 G A 13 29.736 18.835 15.278 1.00 0.27 C ATOM 393 N7 G A 13 29.671 19.760 16.200 1.00 0.28 N ATOM 394 C5 G A 13 29.862 19.050 17.385 1.00 0.26 C ATOM 395 C6 G A 13 29.901 19.511 18.738 1.00 0.28 C ATOM 396 O6 G A 13 29.778 20.665 19.158 1.00 0.31 O ATOM 397 N1 G A 13 30.120 18.470 19.622 1.00 0.29 N ATOM 398 C2 G A 13 30.281 17.148 19.263 1.00 0.29 C ATOM 399 N2 G A 13 30.523 16.304 20.246 1.00 0.32 N ATOM 400 N3 G A 13 30.243 16.705 18.006 1.00 0.27 N ATOM 401 C4 G A 13 30.035 17.706 17.121 1.00 0.25 C ATOM 0 H5' G A 13 32.570 16.394 11.891 1.00 0.29 H new ATOM 0 H5'' G A 13 31.237 16.116 10.788 1.00 0.29 H new ATOM 0 H4' G A 13 30.866 14.830 12.721 1.00 0.25 H new ATOM 0 H3' G A 13 29.073 17.288 12.429 1.00 0.23 H new ATOM 0 H2' G A 13 27.957 16.586 14.504 1.00 0.25 H new ATOM 0 HO2' G A 13 27.916 14.532 15.189 1.00 0.29 H new ATOM 0 H1' G A 13 30.216 15.519 15.769 1.00 0.26 H new ATOM 0 H8 G A 13 29.627 19.051 14.226 1.00 0.27 H new ATOM 0 H1 G A 13 30.166 18.697 20.615 1.00 0.29 H new ATOM 0 H21 G A 13 30.652 15.312 20.046 1.00 0.32 H new ATOM 0 H22 G A 13 30.581 16.643 21.206 1.00 0.32 H new ATOM 413 P C A 14 26.981 15.742 11.514 1.00 0.22 P ATOM 414 OP1 C A 14 26.538 14.767 10.484 1.00 0.26 O ATOM 415 OP2 C A 14 26.780 17.183 11.270 1.00 0.23 O ATOM 416 O5' C A 14 26.258 15.369 12.912 1.00 0.24 O ATOM 417 C5' C A 14 26.100 14.005 13.315 1.00 0.21 C ATOM 418 C4' C A 14 25.716 13.862 14.784 1.00 0.19 C ATOM 419 O4' C A 14 26.526 14.676 15.599 1.00 0.20 O ATOM 420 C3' C A 14 24.270 14.229 15.042 1.00 0.18 C ATOM 421 O3' C A 14 23.399 13.115 14.730 1.00 0.19 O ATOM 422 C2' C A 14 24.330 14.523 16.539 1.00 0.21 C ATOM 423 O2' C A 14 24.052 13.356 17.338 1.00 0.28 O ATOM 424 C1' C A 14 25.776 14.982 16.758 1.00 0.20 C ATOM 425 N1 C A 14 25.872 16.432 17.086 1.00 0.21 N ATOM 426 C2 C A 14 25.942 16.772 18.431 1.00 0.25 C ATOM 427 O2 C A 14 25.888 15.902 19.295 1.00 0.31 O ATOM 428 N3 C A 14 26.063 18.085 18.761 1.00 0.30 N ATOM 429 C4 C A 14 26.116 19.036 17.824 1.00 0.32 C ATOM 430 N4 C A 14 26.221 20.309 18.196 1.00 0.40 N ATOM 431 C5 C A 14 26.047 18.707 16.444 1.00 0.29 C ATOM 432 C6 C A 14 25.921 17.394 16.115 1.00 0.23 C ATOM 0 H5' C A 14 27.031 13.468 13.134 1.00 0.21 H new ATOM 0 H5'' C A 14 25.335 13.535 12.697 1.00 0.21 H new ATOM 0 H4' C A 14 25.863 12.810 15.030 1.00 0.19 H new ATOM 0 H3' C A 14 23.876 15.051 14.445 1.00 0.18 H new ATOM 0 H2' C A 14 23.584 15.260 16.836 1.00 0.21 H new ATOM 0 HO2' C A 14 23.262 13.521 17.894 1.00 0.28 H new ATOM 0 H1' C A 14 26.181 14.451 17.620 1.00 0.20 H new ATOM 0 H41 C A 14 26.262 21.045 17.491 1.00 0.40 H new ATOM 0 H42 C A 14 26.260 20.549 19.187 1.00 0.40 H new ATOM 0 H5 C A 14 26.093 19.472 15.683 1.00 0.29 H new ATOM 0 H6 C A 14 25.859 17.107 15.076 1.00 0.23 H new ATOM 444 P U A 15 21.814 13.171 15.026 1.00 0.19 P ATOM 445 OP1 U A 15 21.184 12.008 14.377 1.00 0.26 O ATOM 446 OP2 U A 15 21.313 14.533 14.724 1.00 0.24 O ATOM 447 O5' U A 15 21.764 12.949 16.623 1.00 0.17 O ATOM 448 C5' U A 15 21.745 11.633 17.191 1.00 0.20 C ATOM 449 C4' U A 15 21.331 11.673 18.652 1.00 0.21 C ATOM 450 O4' U A 15 22.286 12.410 19.399 1.00 0.24 O ATOM 451 C3' U A 15 19.976 12.348 18.823 1.00 0.19 C ATOM 452 O3' U A 15 18.896 11.412 18.750 1.00 0.24 O ATOM 453 C2' U A 15 20.111 12.940 20.215 1.00 0.23 C ATOM 454 O2' U A 15 19.740 11.997 21.221 1.00 0.31 O ATOM 455 C1' U A 15 21.590 13.283 20.280 1.00 0.24 C ATOM 456 N1 U A 15 21.791 14.696 19.909 1.00 0.22 N ATOM 457 C2 U A 15 21.940 15.614 20.931 1.00 0.30 C ATOM 458 O2 U A 15 21.903 15.296 22.118 1.00 0.38 O ATOM 459 N3 U A 15 22.106 16.934 20.537 1.00 0.35 N ATOM 460 C4 U A 15 22.133 17.400 19.233 1.00 0.31 C ATOM 461 O4 U A 15 22.302 18.594 18.999 1.00 0.40 O ATOM 462 C5 U A 15 21.967 16.373 18.237 1.00 0.24 C ATOM 463 C6 U A 15 21.805 15.081 18.595 1.00 0.21 C ATOM 0 H5' U A 15 22.733 11.181 17.102 1.00 0.20 H new ATOM 0 H5'' U A 15 21.054 11.002 16.631 1.00 0.20 H new ATOM 0 H4' U A 15 21.269 10.644 19.007 1.00 0.21 H new ATOM 0 H3' U A 15 19.745 13.077 18.046 1.00 0.19 H new ATOM 0 H2' U A 15 19.461 13.797 20.391 1.00 0.23 H new ATOM 0 HO2' U A 15 19.487 12.474 22.039 1.00 0.31 H new ATOM 0 H1' U A 15 21.975 13.152 21.291 1.00 0.24 H new ATOM 0 H3 U A 15 22.219 17.626 21.277 1.00 0.35 H new ATOM 0 H5 U A 15 21.972 16.640 17.190 1.00 0.24 H new ATOM 0 H6 U A 15 21.683 14.333 17.826 1.00 0.21 H new ATOM 474 P C A 16 17.402 11.930 18.448 1.00 0.26 P ATOM 475 OP1 C A 16 16.513 10.763 18.389 1.00 0.35 O ATOM 476 OP2 C A 16 17.448 12.862 17.302 1.00 0.31 O ATOM 477 O5' C A 16 17.061 12.779 19.777 1.00 0.24 O ATOM 478 C5' C A 16 17.007 12.138 21.056 1.00 0.26 C ATOM 479 C4' C A 16 17.161 13.133 22.195 1.00 0.24 C ATOM 480 O4' C A 16 18.358 13.884 22.054 1.00 0.24 O ATOM 481 C3' C A 16 15.997 14.099 22.244 1.00 0.24 C ATOM 482 O3' C A 16 14.899 13.560 22.992 1.00 0.28 O ATOM 483 C2' C A 16 16.639 15.280 22.954 1.00 0.24 C ATOM 484 O2' C A 16 16.568 15.135 24.374 1.00 0.29 O ATOM 485 C1' C A 16 18.085 15.215 22.467 1.00 0.24 C ATOM 486 N1 C A 16 18.326 16.175 21.356 1.00 0.26 N ATOM 487 C2 C A 16 18.713 17.462 21.697 1.00 0.30 C ATOM 488 O2 C A 16 18.817 17.773 22.879 1.00 0.36 O ATOM 489 N3 C A 16 18.951 18.349 20.708 1.00 0.34 N ATOM 490 C4 C A 16 18.821 18.002 19.429 1.00 0.33 C ATOM 491 N4 C A 16 19.076 18.899 18.479 1.00 0.38 N ATOM 492 C5 C A 16 18.420 16.680 19.066 1.00 0.30 C ATOM 493 C6 C A 16 18.184 15.803 20.056 1.00 0.26 C ATOM 0 H5' C A 16 17.795 11.388 21.120 1.00 0.26 H new ATOM 0 H5'' C A 16 16.058 11.612 21.159 1.00 0.26 H new ATOM 0 H4' C A 16 17.192 12.553 23.118 1.00 0.24 H new ATOM 0 H3' C A 16 15.565 14.340 21.273 1.00 0.24 H new ATOM 0 H2' C A 16 16.149 16.230 22.740 1.00 0.24 H new ATOM 0 HO2' C A 16 16.127 14.288 24.595 1.00 0.29 H new ATOM 0 H1' C A 16 18.755 15.497 23.279 1.00 0.24 H new ATOM 0 H41 C A 16 18.979 18.643 17.496 1.00 0.38 H new ATOM 0 H42 C A 16 19.368 19.843 18.734 1.00 0.38 H new ATOM 0 H5 C A 16 18.310 16.395 18.030 1.00 0.30 H new ATOM 0 H6 C A 16 17.879 14.795 19.817 1.00 0.26 H new ATOM 505 P A A 17 13.424 14.210 22.897 1.00 0.30 P ATOM 506 OP1 A A 17 12.587 13.628 23.972 1.00 0.38 O ATOM 507 OP2 A A 17 12.950 14.143 21.505 1.00 0.37 O ATOM 508 O5' A A 17 13.711 15.749 23.282 1.00 0.26 O ATOM 509 C5' A A 17 14.096 16.108 24.620 1.00 0.27 C ATOM 510 C4' A A 17 14.229 17.623 24.797 1.00 0.26 C ATOM 511 O4' A A 17 15.192 18.159 23.902 1.00 0.26 O ATOM 512 C3' A A 17 12.934 18.326 24.537 1.00 0.32 C ATOM 513 O3' A A 17 12.063 18.280 25.688 1.00 0.46 O ATOM 514 C2' A A 17 13.423 19.731 24.242 1.00 0.35 C ATOM 515 O2' A A 17 13.599 20.501 25.428 1.00 0.52 O ATOM 516 C1' A A 17 14.769 19.476 23.544 1.00 0.28 C ATOM 517 N9 A A 17 14.635 19.617 22.076 1.00 0.24 N ATOM 518 C8 A A 17 14.709 18.655 21.129 1.00 0.30 C ATOM 519 N7 A A 17 14.578 19.069 19.914 1.00 0.33 N ATOM 520 C5 A A 17 14.412 20.419 20.063 1.00 0.26 C ATOM 521 C6 A A 17 14.235 21.449 19.146 1.00 0.29 C ATOM 522 N6 A A 17 14.214 21.261 17.830 1.00 0.36 N ATOM 523 N1 A A 17 14.105 22.683 19.638 1.00 0.29 N ATOM 524 C2 A A 17 14.140 22.883 20.954 1.00 0.30 C ATOM 525 N3 A A 17 14.305 21.980 21.909 1.00 0.28 N ATOM 526 C4 A A 17 14.434 20.765 21.382 1.00 0.22 C ATOM 0 H5' A A 17 15.045 15.631 24.863 1.00 0.27 H new ATOM 0 H5'' A A 17 13.357 15.725 25.324 1.00 0.27 H new ATOM 0 H4' A A 17 14.537 17.783 25.830 1.00 0.26 H new ATOM 0 H3' A A 17 12.333 17.890 23.739 1.00 0.32 H new ATOM 0 H2' A A 17 12.717 20.307 23.644 1.00 0.35 H new ATOM 0 HO2' A A 17 13.074 20.106 26.155 1.00 0.52 H new ATOM 0 HO3' A A 17 11.227 18.750 25.485 1.00 0.46 H new ATOM 0 H1' A A 17 15.511 20.208 23.862 1.00 0.28 H new ATOM 0 H8 A A 17 14.866 17.615 21.372 1.00 0.30 H new ATOM 0 H61 A A 17 14.080 22.055 17.204 1.00 0.36 H new ATOM 0 H62 A A 17 14.331 20.323 17.447 1.00 0.36 H new ATOM 0 H2 A A 17 14.019 23.905 21.282 1.00 0.30 H new TER 539 A A 17