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 180:sc= -0.469 USER MOD Single : A 1 U O5' : rot 180:sc= -1.38 USER MOD Single : A 2 G O2' : rot 180:sc= -4.2! USER MOD Single : A 3 A O2' : rot -142:sc= 1.12 USER MOD Single : A 4 G O2' : rot 180:sc= -1.26! USER MOD Single : A 5 C O2' : rot -150:sc= 0.554 USER MOD Single : A 6 U O2' : rot -19:sc= 0.0877 USER MOD Single : A 7 C O2' : rot -69:sc= 0.716 USER MOD Single : A 8 A O2' : rot -16:sc= 0.122 USER MOD Single : A 9 G O2' : rot 94:sc= -4.88! USER MOD Single : A 10 U O2' : rot -2:sc= 0.163 USER MOD Single : A 11 U O2' : rot 158:sc= -3.64! USER MOD Single : A 12 U O2' : rot -158:sc= -2.09! USER MOD Single : A 13 G O2' : rot -173:sc= -4.36! USER MOD Single : A 14 C O2' : rot -124:sc= 1.35 USER MOD Single : A 15 U O2' : rot 5:sc= -2.39! USER MOD Single : A 16 C O2' : rot 180:sc= -1.32 USER MOD Single : A 17 A O2' : rot -20:sc= 0.0889 USER MOD Single : A 17 A O3' : rot 180:sc= 0.0908 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 12.710 28.003 17.365 1.00 0.34 O ATOM 2 C5' U A 1 12.151 29.136 18.049 1.00 0.32 C ATOM 3 C4' U A 1 11.999 28.869 19.551 1.00 0.27 C ATOM 4 O4' U A 1 10.942 27.939 19.799 1.00 0.31 O ATOM 5 C3' U A 1 13.278 28.298 20.155 1.00 0.25 C ATOM 6 O3' U A 1 14.159 29.345 20.589 1.00 0.25 O ATOM 7 C2' U A 1 12.727 27.486 21.323 1.00 0.28 C ATOM 8 O2' U A 1 12.511 28.316 22.470 1.00 0.33 O ATOM 9 C1' U A 1 11.417 26.962 20.733 1.00 0.29 C ATOM 10 N1 U A 1 11.640 25.657 20.070 1.00 0.30 N ATOM 11 C2 U A 1 11.740 24.538 20.876 1.00 0.41 C ATOM 12 O2 U A 1 11.617 24.590 22.099 1.00 0.50 O ATOM 13 N3 U A 1 11.967 23.339 20.220 1.00 0.48 N ATOM 14 C4 U A 1 12.095 23.162 18.852 1.00 0.44 C ATOM 15 O4 U A 1 12.304 22.039 18.383 1.00 0.55 O ATOM 16 C5 U A 1 11.973 24.378 18.091 1.00 0.37 C ATOM 17 C6 U A 1 11.754 25.566 18.706 1.00 0.33 C ATOM 0 H5' U A 1 11.178 29.376 17.621 1.00 0.32 H new ATOM 0 H5'' U A 1 12.790 30.006 17.896 1.00 0.32 H new ATOM 0 H4' U A 1 11.775 29.830 20.014 1.00 0.27 H new ATOM 0 H3' U A 1 13.881 27.710 19.463 1.00 0.25 H new ATOM 0 H2' U A 1 13.389 26.698 21.682 1.00 0.28 H new ATOM 0 HO2' U A 1 12.156 27.773 23.205 1.00 0.33 H new ATOM 0 HO5' U A 1 12.792 28.205 16.410 1.00 0.34 H new ATOM 0 H1' U A 1 10.676 26.805 21.516 1.00 0.29 H new ATOM 0 H3 U A 1 12.048 22.505 20.801 1.00 0.48 H new ATOM 0 H5 U A 1 12.057 24.343 17.015 1.00 0.37 H new ATOM 0 H6 U A 1 11.667 26.461 18.108 1.00 0.33 H new ATOM 29 P G A 2 15.756 29.138 20.540 1.00 0.22 P ATOM 30 OP1 G A 2 16.424 30.439 20.778 1.00 0.32 O ATOM 31 OP2 G A 2 16.081 28.372 19.324 1.00 0.25 O ATOM 32 O5' G A 2 16.024 28.185 21.805 1.00 0.25 O ATOM 33 C5' G A 2 15.646 28.589 23.110 1.00 0.28 C ATOM 34 C4' G A 2 15.647 27.418 24.076 1.00 0.27 C ATOM 35 O4' G A 2 14.780 26.387 23.624 1.00 0.26 O ATOM 36 C3' G A 2 17.045 26.807 24.192 1.00 0.26 C ATOM 37 O3' G A 2 17.891 27.512 25.122 1.00 0.30 O ATOM 38 C2' G A 2 16.705 25.409 24.660 1.00 0.25 C ATOM 39 O2' G A 2 16.462 25.340 26.056 1.00 0.29 O ATOM 40 C1' G A 2 15.431 25.137 23.864 1.00 0.25 C ATOM 41 N9 G A 2 15.776 24.430 22.606 1.00 0.26 N ATOM 42 C8 G A 2 15.874 24.910 21.322 1.00 0.29 C ATOM 43 N7 G A 2 16.269 24.037 20.444 1.00 0.30 N ATOM 44 C5 G A 2 16.448 22.876 21.197 1.00 0.29 C ATOM 45 C6 G A 2 16.866 21.575 20.790 1.00 0.32 C ATOM 46 O6 G A 2 17.162 21.187 19.664 1.00 0.36 O ATOM 47 N1 G A 2 16.906 20.693 21.863 1.00 0.32 N ATOM 48 C2 G A 2 16.589 21.013 23.165 1.00 0.31 C ATOM 49 N2 G A 2 16.676 20.029 24.053 1.00 0.34 N ATOM 50 N3 G A 2 16.186 22.228 23.553 1.00 0.28 N ATOM 51 C4 G A 2 16.132 23.103 22.519 1.00 0.27 C ATOM 0 H5' G A 2 14.653 29.037 23.080 1.00 0.28 H new ATOM 0 H5'' G A 2 16.331 29.358 23.467 1.00 0.28 H new ATOM 0 H4' G A 2 15.315 27.806 25.039 1.00 0.27 H new ATOM 0 H3' G A 2 17.624 26.844 23.269 1.00 0.26 H new ATOM 0 H2' G A 2 17.510 24.691 24.502 1.00 0.25 H new ATOM 0 HO2' G A 2 16.246 24.417 26.305 1.00 0.29 H new ATOM 0 H1' G A 2 14.747 24.493 24.417 1.00 0.25 H new ATOM 0 H8 G A 2 15.641 25.932 21.063 1.00 0.29 H new ATOM 0 H1 G A 2 17.193 19.733 21.672 1.00 0.32 H new ATOM 0 H21 G A 2 16.454 20.205 25.033 1.00 0.34 H new ATOM 0 H22 G A 2 16.965 19.097 23.755 1.00 0.34 H new ATOM 63 P A A 3 19.510 27.479 24.982 1.00 0.34 P ATOM 64 OP1 A A 3 20.090 28.430 25.943 1.00 0.45 O ATOM 65 OP2 A A 3 19.874 27.593 23.553 1.00 0.38 O ATOM 66 O5' A A 3 19.852 25.991 25.480 1.00 0.32 O ATOM 67 C5' A A 3 19.247 25.468 26.665 1.00 0.32 C ATOM 68 C4' A A 3 19.570 23.961 26.841 1.00 0.30 C ATOM 69 O4' A A 3 18.716 23.153 26.021 1.00 0.31 O ATOM 70 C3' A A 3 20.996 23.602 26.472 1.00 0.27 C ATOM 71 O3' A A 3 21.939 23.995 27.483 1.00 0.30 O ATOM 72 C2' A A 3 20.811 22.071 26.374 1.00 0.28 C ATOM 73 O2' A A 3 20.668 21.481 27.676 1.00 0.36 O ATOM 74 C1' A A 3 19.504 22.027 25.591 1.00 0.28 C ATOM 75 N9 A A 3 19.738 22.084 24.126 1.00 0.26 N ATOM 76 C8 A A 3 19.753 23.166 23.287 1.00 0.27 C ATOM 77 N7 A A 3 20.006 22.912 22.045 1.00 0.29 N ATOM 78 C5 A A 3 20.212 21.523 22.051 1.00 0.28 C ATOM 79 C6 A A 3 20.559 20.597 21.046 1.00 0.32 C ATOM 80 N6 A A 3 20.764 20.966 19.806 1.00 0.36 N ATOM 81 N1 A A 3 20.676 19.316 21.406 1.00 0.35 N ATOM 82 C2 A A 3 20.466 18.953 22.673 1.00 0.34 C ATOM 83 N3 A A 3 20.145 19.727 23.713 1.00 0.32 N ATOM 84 C4 A A 3 20.033 21.014 23.324 1.00 0.28 C ATOM 0 H5' A A 3 18.167 25.608 26.617 1.00 0.32 H new ATOM 0 H5'' A A 3 19.602 26.023 27.533 1.00 0.32 H new ATOM 0 H4' A A 3 19.414 23.766 27.902 1.00 0.30 H new ATOM 0 H3' A A 3 21.403 24.085 25.584 1.00 0.27 H new ATOM 0 H2' A A 3 21.640 21.525 25.923 1.00 0.28 H new ATOM 0 HO2' A A 3 21.127 20.615 27.695 1.00 0.36 H new ATOM 0 H1' A A 3 18.986 21.087 25.784 1.00 0.28 H new ATOM 0 H8 A A 3 19.565 24.169 23.641 1.00 0.27 H new ATOM 0 H61 A A 3 21.014 20.272 19.102 1.00 0.36 H new ATOM 0 H62 A A 3 20.674 21.948 19.545 1.00 0.36 H new ATOM 0 H2 A A 3 20.569 17.899 22.884 1.00 0.34 H new ATOM 96 P G A 4 23.523 24.091 27.140 1.00 0.29 P ATOM 97 OP1 G A 4 24.200 24.868 28.219 1.00 0.39 O ATOM 98 OP2 G A 4 23.671 24.518 25.748 1.00 0.30 O ATOM 99 O5' G A 4 23.964 22.549 27.248 1.00 0.27 O ATOM 100 C5' G A 4 23.709 21.814 28.440 1.00 0.28 C ATOM 101 C4' G A 4 23.623 20.320 28.166 1.00 0.26 C ATOM 102 O4' G A 4 22.723 20.076 27.085 1.00 0.26 O ATOM 103 C3' G A 4 24.988 19.754 27.794 1.00 0.23 C ATOM 104 O3' G A 4 25.734 19.310 28.942 1.00 0.24 O ATOM 105 C2' G A 4 24.554 18.592 26.885 1.00 0.23 C ATOM 106 O2' G A 4 24.155 17.436 27.653 1.00 0.30 O ATOM 107 C1' G A 4 23.376 19.222 26.164 1.00 0.23 C ATOM 108 N9 G A 4 23.832 19.965 24.976 1.00 0.19 N ATOM 109 C8 G A 4 23.981 21.309 24.815 1.00 0.23 C ATOM 110 N7 G A 4 24.466 21.668 23.672 1.00 0.26 N ATOM 111 C5 G A 4 24.660 20.461 23.011 1.00 0.22 C ATOM 112 C6 G A 4 25.174 20.221 21.721 1.00 0.28 C ATOM 113 O6 G A 4 25.527 21.038 20.885 1.00 0.35 O ATOM 114 N1 G A 4 25.218 18.869 21.432 1.00 0.29 N ATOM 115 C2 G A 4 24.806 17.860 22.280 1.00 0.28 C ATOM 116 N2 G A 4 24.951 16.614 21.821 1.00 0.35 N ATOM 117 N3 G A 4 24.316 18.076 23.503 1.00 0.24 N ATOM 118 C4 G A 4 24.276 19.401 23.798 1.00 0.20 C ATOM 0 H5' G A 4 22.776 22.157 28.888 1.00 0.28 H new ATOM 0 H5'' G A 4 24.500 22.007 29.164 1.00 0.28 H new ATOM 0 H4' G A 4 23.267 19.834 29.074 1.00 0.26 H new ATOM 0 H3' G A 4 25.668 20.468 27.329 1.00 0.23 H new ATOM 0 H2' G A 4 25.337 18.216 26.226 1.00 0.23 H new ATOM 0 HO2' G A 4 23.884 16.717 27.045 1.00 0.30 H new ATOM 0 H1' G A 4 22.686 18.456 25.811 1.00 0.23 H new ATOM 0 H8 G A 4 23.715 22.020 25.583 1.00 0.23 H new ATOM 0 H1 G A 4 25.584 18.596 20.520 1.00 0.29 H new ATOM 0 H21 G A 4 24.666 15.822 22.397 1.00 0.35 H new ATOM 0 H22 G A 4 25.346 16.455 20.894 1.00 0.35 H new ATOM 130 P C A 5 27.322 19.544 29.030 1.00 0.24 P ATOM 131 OP1 C A 5 27.763 19.184 30.414 1.00 0.34 O ATOM 132 OP2 C A 5 27.629 20.912 28.532 1.00 0.31 O ATOM 133 O5' C A 5 27.893 18.469 27.968 1.00 0.19 O ATOM 134 C5' C A 5 27.350 17.160 27.897 1.00 0.17 C ATOM 135 C4' C A 5 27.791 16.441 26.636 1.00 0.18 C ATOM 136 O4' C A 5 27.219 17.048 25.524 1.00 0.20 O ATOM 137 C3' C A 5 29.303 16.468 26.491 1.00 0.17 C ATOM 138 O3' C A 5 29.910 15.319 27.130 1.00 0.19 O ATOM 139 C2' C A 5 29.448 16.416 25.004 1.00 0.21 C ATOM 140 O2' C A 5 29.578 15.105 24.471 1.00 0.29 O ATOM 141 C1' C A 5 28.178 17.075 24.506 1.00 0.21 C ATOM 142 N1 C A 5 28.441 18.444 23.992 1.00 0.22 N ATOM 143 C2 C A 5 29.176 18.546 22.817 1.00 0.29 C ATOM 144 O2 C A 5 29.667 17.558 22.274 1.00 0.37 O ATOM 145 N3 C A 5 29.349 19.792 22.307 1.00 0.33 N ATOM 146 C4 C A 5 28.824 20.870 22.933 1.00 0.32 C ATOM 147 N4 C A 5 29.019 22.055 22.355 1.00 0.39 N ATOM 148 C5 C A 5 28.081 20.763 24.127 1.00 0.28 C ATOM 149 C6 C A 5 27.913 19.542 24.637 1.00 0.23 C ATOM 0 H5' C A 5 26.262 17.215 27.924 1.00 0.17 H new ATOM 0 H5'' C A 5 27.662 16.588 28.771 1.00 0.17 H new ATOM 0 H4' C A 5 27.464 15.404 26.708 1.00 0.18 H new ATOM 0 H3' C A 5 29.789 17.326 26.955 1.00 0.17 H new ATOM 0 H2' C A 5 30.367 16.909 24.687 1.00 0.21 H new ATOM 0 HO2' C A 5 30.124 15.135 23.657 1.00 0.29 H new ATOM 0 H1' C A 5 27.784 16.517 23.657 1.00 0.21 H new ATOM 0 H41 C A 5 28.644 22.900 22.786 1.00 0.39 H new ATOM 0 H42 C A 5 29.543 22.117 21.482 1.00 0.39 H new ATOM 0 H5 C A 5 27.665 21.635 24.609 1.00 0.28 H new ATOM 0 H6 C A 5 27.362 19.413 25.557 1.00 0.23 H new ATOM 161 P U A 6 31.511 15.190 27.201 1.00 0.21 P ATOM 162 OP1 U A 6 31.851 13.972 27.924 1.00 0.29 O ATOM 163 OP2 U A 6 32.023 16.482 27.663 1.00 0.25 O ATOM 164 O5' U A 6 31.938 14.978 25.660 1.00 0.22 O ATOM 165 C5' U A 6 32.024 13.696 25.071 1.00 0.27 C ATOM 166 C4' U A 6 32.432 13.783 23.601 1.00 0.26 C ATOM 167 O4' U A 6 31.615 14.717 22.905 1.00 0.23 O ATOM 168 C3' U A 6 33.870 14.253 23.478 1.00 0.27 C ATOM 169 O3' U A 6 34.794 13.159 23.554 1.00 0.35 O ATOM 170 C2' U A 6 33.851 14.913 22.113 1.00 0.24 C ATOM 171 O2' U A 6 33.964 13.947 21.057 1.00 0.30 O ATOM 172 C1' U A 6 32.472 15.555 22.128 1.00 0.21 C ATOM 173 N1 U A 6 32.517 16.928 22.690 1.00 0.21 N ATOM 174 C2 U A 6 32.573 17.974 21.803 1.00 0.25 C ATOM 175 O2 U A 6 32.593 17.808 20.588 1.00 0.31 O ATOM 176 N3 U A 6 32.591 19.237 22.342 1.00 0.28 N ATOM 177 C4 U A 6 32.572 19.553 23.676 1.00 0.26 C ATOM 178 O4 U A 6 32.601 20.734 24.038 1.00 0.32 O ATOM 179 C5 U A 6 32.516 18.402 24.551 1.00 0.22 C ATOM 180 C6 U A 6 32.487 17.146 24.044 1.00 0.21 C ATOM 0 H5' U A 6 31.062 13.191 25.154 1.00 0.27 H new ATOM 0 H5'' U A 6 32.749 13.092 25.616 1.00 0.27 H new ATOM 0 H4' U A 6 32.316 12.788 23.172 1.00 0.26 H new ATOM 0 H3' U A 6 34.199 14.918 24.277 1.00 0.27 H new ATOM 0 H2' U A 6 34.674 15.606 21.937 1.00 0.24 H new ATOM 0 HO2' U A 6 34.326 13.110 21.416 1.00 0.30 H new ATOM 0 H1' U A 6 32.096 15.648 21.109 1.00 0.21 H new ATOM 0 H3 U A 6 32.622 20.017 21.685 1.00 0.28 H new ATOM 0 H5 U A 6 32.497 18.546 25.621 1.00 0.22 H new ATOM 0 H6 U A 6 32.439 16.303 24.717 1.00 0.21 H new ATOM 191 P C A 7 35.849 13.115 24.766 1.00 0.50 P ATOM 192 OP1 C A 7 36.393 11.747 24.889 1.00 0.61 O ATOM 193 OP2 C A 7 35.227 13.755 25.952 1.00 0.64 O ATOM 194 O5' C A 7 37.011 14.076 24.223 1.00 0.50 O ATOM 195 C5' C A 7 37.659 13.800 22.983 1.00 0.42 C ATOM 196 C4' C A 7 38.454 14.965 22.470 1.00 0.39 C ATOM 197 O4' C A 7 37.614 16.085 22.233 1.00 0.48 O ATOM 198 C3' C A 7 39.485 15.372 23.495 1.00 0.39 C ATOM 199 O3' C A 7 40.687 14.611 23.375 1.00 0.35 O ATOM 200 C2' C A 7 39.705 16.839 23.154 1.00 0.46 C ATOM 201 O2' C A 7 40.727 17.010 22.158 1.00 0.51 O ATOM 202 C1' C A 7 38.328 17.253 22.627 1.00 0.51 C ATOM 203 N1 C A 7 37.603 18.010 23.670 1.00 0.60 N ATOM 204 C2 C A 7 38.068 19.284 23.961 1.00 0.69 C ATOM 205 O2 C A 7 38.970 19.777 23.283 1.00 0.71 O ATOM 206 N3 C A 7 37.489 19.972 24.974 1.00 0.79 N ATOM 207 C4 C A 7 36.484 19.439 25.676 1.00 0.81 C ATOM 208 N4 C A 7 35.959 20.136 26.678 1.00 0.94 N ATOM 209 C5 C A 7 35.983 18.128 25.376 1.00 0.75 C ATOM 210 C6 C A 7 36.568 17.451 24.370 1.00 0.64 C ATOM 0 H5' C A 7 36.910 13.522 22.241 1.00 0.42 H new ATOM 0 H5'' C A 7 38.319 12.942 23.107 1.00 0.42 H new ATOM 0 H4' C A 7 38.932 14.658 21.540 1.00 0.39 H new ATOM 0 H3' C A 7 39.168 15.204 24.524 1.00 0.39 H new ATOM 0 H2' C A 7 40.050 17.436 23.998 1.00 0.46 H new ATOM 0 HO2' C A 7 41.598 16.770 22.538 1.00 0.51 H new ATOM 0 H1' C A 7 38.432 17.903 21.758 1.00 0.51 H new ATOM 0 H41 C A 7 35.192 19.745 27.224 1.00 0.94 H new ATOM 0 H42 C A 7 36.323 21.062 26.901 1.00 0.94 H new ATOM 0 H5 C A 7 35.166 17.700 25.937 1.00 0.75 H new ATOM 0 H6 C A 7 36.219 16.462 24.114 1.00 0.64 H new ATOM 222 P A A 8 41.622 14.349 24.662 1.00 0.29 P ATOM 223 OP1 A A 8 42.539 13.241 24.343 1.00 0.46 O ATOM 224 OP2 A A 8 40.764 14.260 25.866 1.00 0.51 O ATOM 225 O5' A A 8 42.485 15.706 24.751 1.00 0.37 O ATOM 226 C5' A A 8 43.241 16.001 25.929 1.00 0.27 C ATOM 227 C4' A A 8 44.123 17.224 25.740 1.00 0.25 C ATOM 228 O4' A A 8 45.116 16.985 24.744 1.00 0.32 O ATOM 229 C3' A A 8 43.287 18.410 25.284 1.00 0.22 C ATOM 230 O3' A A 8 42.768 19.156 26.385 1.00 0.22 O ATOM 231 C2' A A 8 44.292 19.212 24.465 1.00 0.27 C ATOM 232 O2' A A 8 45.076 20.089 25.290 1.00 0.31 O ATOM 233 C1' A A 8 45.123 18.095 23.847 1.00 0.30 C ATOM 234 N9 A A 8 44.550 17.730 22.544 1.00 0.31 N ATOM 235 C8 A A 8 43.877 16.600 22.182 1.00 0.35 C ATOM 236 N7 A A 8 43.442 16.599 20.955 1.00 0.40 N ATOM 237 C5 A A 8 43.866 17.837 20.470 1.00 0.37 C ATOM 238 C6 A A 8 43.724 18.474 19.231 1.00 0.43 C ATOM 239 N6 A A 8 43.093 17.924 18.197 1.00 0.50 N ATOM 240 N1 A A 8 44.262 19.696 19.098 1.00 0.44 N ATOM 241 C2 A A 8 44.900 20.265 20.120 1.00 0.43 C ATOM 242 N3 A A 8 45.090 19.750 21.326 1.00 0.37 N ATOM 243 C4 A A 8 44.539 18.528 21.432 1.00 0.34 C ATOM 0 H5' A A 8 43.860 15.142 26.188 1.00 0.27 H new ATOM 0 H5'' A A 8 42.562 16.168 26.765 1.00 0.27 H new ATOM 0 H4' A A 8 44.599 17.435 26.698 1.00 0.25 H new ATOM 0 H3' A A 8 42.397 18.127 24.722 1.00 0.22 H new ATOM 0 H2' A A 8 43.844 19.885 23.734 1.00 0.27 H new ATOM 0 HO2' A A 8 44.644 20.189 26.164 1.00 0.31 H new ATOM 0 H1' A A 8 46.152 18.416 23.686 1.00 0.30 H new ATOM 0 H8 A A 8 43.718 15.773 22.858 1.00 0.35 H new ATOM 0 H61 A A 8 43.018 18.432 17.316 1.00 0.50 H new ATOM 0 H62 A A 8 42.684 16.994 18.285 1.00 0.50 H new ATOM 0 H2 A A 8 45.305 21.251 19.947 1.00 0.43 H new ATOM 255 P G A 9 41.251 19.674 26.329 1.00 0.27 P ATOM 256 OP1 G A 9 40.874 20.189 27.666 1.00 0.37 O ATOM 257 OP2 G A 9 40.412 18.630 25.702 1.00 0.34 O ATOM 258 O5' G A 9 41.353 20.915 25.312 1.00 0.27 O ATOM 259 C5' G A 9 42.179 22.035 25.619 1.00 0.27 C ATOM 260 C4' G A 9 42.442 22.892 24.412 1.00 0.26 C ATOM 261 O4' G A 9 43.101 22.155 23.394 1.00 0.28 O ATOM 262 C3' G A 9 41.145 23.423 23.835 1.00 0.25 C ATOM 263 O3' G A 9 40.671 24.557 24.554 1.00 0.29 O ATOM 264 C2' G A 9 41.613 23.775 22.416 1.00 0.29 C ATOM 265 O2' G A 9 42.214 25.078 22.375 1.00 0.37 O ATOM 266 C1' G A 9 42.658 22.681 22.146 1.00 0.27 C ATOM 267 N9 G A 9 42.099 21.623 21.292 1.00 0.29 N ATOM 268 C8 G A 9 41.560 20.418 21.654 1.00 0.34 C ATOM 269 N7 G A 9 41.141 19.692 20.662 1.00 0.37 N ATOM 270 C5 G A 9 41.444 20.472 19.544 1.00 0.32 C ATOM 271 C6 G A 9 41.208 20.219 18.167 1.00 0.36 C ATOM 272 O6 G A 9 40.717 19.212 17.646 1.00 0.43 O ATOM 273 N1 G A 9 41.651 21.262 17.377 1.00 0.33 N ATOM 274 C2 G A 9 42.233 22.416 17.840 1.00 0.29 C ATOM 275 N2 G A 9 42.556 23.327 16.918 1.00 0.33 N ATOM 276 N3 G A 9 42.443 22.673 19.139 1.00 0.26 N ATOM 277 C4 G A 9 42.016 21.665 19.918 1.00 0.27 C ATOM 0 H5' G A 9 43.127 21.685 26.028 1.00 0.27 H new ATOM 0 H5'' G A 9 41.701 22.636 26.393 1.00 0.27 H new ATOM 0 H4' G A 9 43.074 23.717 24.742 1.00 0.26 H new ATOM 0 H3' G A 9 40.301 22.734 23.874 1.00 0.25 H new ATOM 0 H2' G A 9 40.806 23.809 21.684 1.00 0.29 H new ATOM 0 HO2' G A 9 43.185 24.994 22.479 1.00 0.37 H new ATOM 0 H1' G A 9 43.507 23.108 21.613 1.00 0.27 H new ATOM 0 H8 G A 9 41.489 20.097 22.683 1.00 0.34 H new ATOM 0 H1 G A 9 41.536 21.167 16.368 1.00 0.33 H new ATOM 0 H21 G A 9 42.991 24.205 17.200 1.00 0.33 H new ATOM 0 H22 G A 9 42.367 23.144 15.932 1.00 0.33 H new ATOM 289 P U A 10 39.223 25.197 24.224 1.00 0.29 P ATOM 290 OP1 U A 10 38.590 25.611 25.501 1.00 0.36 O ATOM 291 OP2 U A 10 38.482 24.277 23.327 1.00 0.36 O ATOM 292 O5' U A 10 39.624 26.525 23.382 1.00 0.28 O ATOM 293 C5' U A 10 40.885 27.169 23.618 1.00 0.33 C ATOM 294 C4' U A 10 41.124 28.375 22.704 1.00 0.28 C ATOM 295 O4' U A 10 42.330 29.039 23.075 1.00 0.32 O ATOM 296 C3' U A 10 41.251 27.966 21.238 1.00 0.25 C ATOM 297 O3' U A 10 40.003 28.014 20.551 1.00 0.22 O ATOM 298 C2' U A 10 42.202 29.030 20.686 1.00 0.27 C ATOM 299 O2' U A 10 41.481 30.185 20.228 1.00 0.29 O ATOM 300 C1' U A 10 43.070 29.350 21.892 1.00 0.30 C ATOM 301 N1 U A 10 44.338 28.589 21.827 1.00 0.37 N ATOM 302 C2 U A 10 45.427 29.217 21.250 1.00 0.44 C ATOM 303 O2 U A 10 45.370 30.372 20.828 1.00 0.48 O ATOM 304 N3 U A 10 46.588 28.479 21.174 1.00 0.53 N ATOM 305 C4 U A 10 46.760 27.185 21.614 1.00 0.59 C ATOM 306 O4 U A 10 47.839 26.620 21.469 1.00 0.70 O ATOM 307 C5 U A 10 45.577 26.599 22.209 1.00 0.55 C ATOM 308 C6 U A 10 44.422 27.302 22.297 1.00 0.45 C ATOM 0 H5' U A 10 41.688 26.446 23.473 1.00 0.33 H new ATOM 0 H5'' U A 10 40.932 27.494 24.658 1.00 0.33 H new ATOM 0 H4' U A 10 40.262 29.032 22.819 1.00 0.28 H new ATOM 0 H3' U A 10 41.598 26.940 21.117 1.00 0.25 H new ATOM 0 H2' U A 10 42.775 28.699 19.820 1.00 0.27 H new ATOM 0 HO2' U A 10 40.519 30.035 20.338 1.00 0.29 H new ATOM 0 H1' U A 10 43.331 30.408 21.903 1.00 0.30 H new ATOM 0 H3 U A 10 47.397 28.934 20.752 1.00 0.53 H new ATOM 0 H5 U A 10 45.616 25.588 22.588 1.00 0.55 H new ATOM 0 H6 U A 10 43.553 26.842 22.744 1.00 0.45 H new ATOM 319 P U A 11 39.938 27.713 18.971 1.00 0.23 P ATOM 320 OP1 U A 11 41.182 27.020 18.568 1.00 0.28 O ATOM 321 OP2 U A 11 39.540 28.950 18.270 1.00 0.30 O ATOM 322 O5' U A 11 38.725 26.658 18.912 1.00 0.31 O ATOM 323 C5' U A 11 38.865 25.390 19.547 1.00 0.32 C ATOM 324 C4' U A 11 39.261 24.324 18.547 1.00 0.29 C ATOM 325 O4' U A 11 39.253 23.023 19.139 1.00 0.30 O ATOM 326 C3' U A 11 38.272 24.324 17.398 1.00 0.28 C ATOM 327 O3' U A 11 38.900 23.896 16.184 1.00 0.28 O ATOM 328 C2' U A 11 37.231 23.307 17.890 1.00 0.28 C ATOM 329 O2' U A 11 36.540 22.713 16.791 1.00 0.32 O ATOM 330 C1' U A 11 38.127 22.298 18.623 1.00 0.28 C ATOM 331 N1 U A 11 37.395 21.614 19.719 1.00 0.29 N ATOM 332 C2 U A 11 36.761 20.419 19.422 1.00 0.28 C ATOM 333 O2 U A 11 36.741 19.952 18.290 1.00 0.31 O ATOM 334 N3 U A 11 36.118 19.792 20.472 1.00 0.31 N ATOM 335 C4 U A 11 36.051 20.243 21.776 1.00 0.35 C ATOM 336 O4 U A 11 35.438 19.603 22.624 1.00 0.41 O ATOM 337 C5 U A 11 36.736 21.495 22.002 1.00 0.37 C ATOM 338 C6 U A 11 37.377 22.132 20.992 1.00 0.34 C ATOM 0 H5' U A 11 37.926 25.113 20.026 1.00 0.32 H new ATOM 0 H5'' U A 11 39.617 25.454 20.333 1.00 0.32 H new ATOM 0 H4' U A 11 40.269 24.550 18.200 1.00 0.29 H new ATOM 0 H3' U A 11 37.851 25.302 17.163 1.00 0.28 H new ATOM 0 H2' U A 11 36.441 23.725 18.513 1.00 0.28 H new ATOM 0 HO2' U A 11 36.160 21.853 17.069 1.00 0.32 H new ATOM 0 H1' U A 11 38.451 21.518 17.934 1.00 0.28 H new ATOM 0 H3 U A 11 35.647 18.911 20.264 1.00 0.31 H new ATOM 0 H5 U A 11 36.737 21.930 22.991 1.00 0.37 H new ATOM 0 H6 U A 11 37.884 23.065 21.191 1.00 0.34 H new ATOM 349 P U A 12 38.236 24.235 14.751 1.00 0.27 P ATOM 350 OP1 U A 12 39.320 24.706 13.848 1.00 0.33 O ATOM 351 OP2 U A 12 37.061 25.116 14.965 1.00 0.34 O ATOM 352 O5' U A 12 37.726 22.801 14.252 1.00 0.27 O ATOM 353 C5' U A 12 36.394 22.642 13.771 1.00 0.28 C ATOM 354 C4' U A 12 35.860 21.237 14.015 1.00 0.29 C ATOM 355 O4' U A 12 35.900 20.855 15.397 1.00 0.28 O ATOM 356 C3' U A 12 34.409 21.144 13.518 1.00 0.33 C ATOM 357 O3' U A 12 34.210 20.036 12.622 1.00 0.26 O ATOM 358 C2' U A 12 33.606 20.930 14.794 1.00 0.53 C ATOM 359 O2' U A 12 32.502 20.055 14.587 1.00 0.87 O ATOM 360 C1' U A 12 34.635 20.299 15.726 1.00 0.35 C ATOM 361 N1 U A 12 34.278 20.528 17.150 1.00 0.27 N ATOM 362 C2 U A 12 33.660 19.491 17.826 1.00 0.27 C ATOM 363 O2 U A 12 33.473 18.385 17.303 1.00 0.32 O ATOM 364 N3 U A 12 33.249 19.762 19.115 1.00 0.27 N ATOM 365 C4 U A 12 33.404 20.962 19.782 1.00 0.27 C ATOM 366 O4 U A 12 33.010 21.088 20.933 1.00 0.32 O ATOM 367 C5 U A 12 34.065 21.985 19.024 1.00 0.26 C ATOM 368 C6 U A 12 34.479 21.752 17.757 1.00 0.27 C ATOM 0 H5' U A 12 36.366 22.859 12.703 1.00 0.28 H new ATOM 0 H5'' U A 12 35.743 23.367 14.261 1.00 0.28 H new ATOM 0 H4' U A 12 36.508 20.554 13.465 1.00 0.29 H new ATOM 0 H3' U A 12 34.118 22.031 12.956 1.00 0.33 H new ATOM 0 H2' U A 12 33.164 21.849 15.179 1.00 0.53 H new ATOM 0 HO2' U A 12 31.830 20.206 15.284 1.00 0.87 H new ATOM 0 H1' U A 12 34.663 19.217 15.596 1.00 0.35 H new ATOM 0 H3 U A 12 32.788 19.007 19.622 1.00 0.27 H new ATOM 0 H5 U A 12 34.234 22.954 19.470 1.00 0.26 H new ATOM 0 H6 U A 12 34.977 22.539 17.210 1.00 0.27 H new ATOM 379 P G A 13 33.013 20.102 11.536 1.00 0.29 P ATOM 380 OP1 G A 13 33.536 19.600 10.252 1.00 0.36 O ATOM 381 OP2 G A 13 32.404 21.450 11.580 1.00 0.40 O ATOM 382 O5' G A 13 31.947 19.049 12.122 1.00 0.28 O ATOM 383 C5' G A 13 31.920 17.706 11.647 1.00 0.25 C ATOM 384 C4' G A 13 31.241 16.753 12.630 1.00 0.24 C ATOM 385 O4' G A 13 31.789 16.900 13.945 1.00 0.26 O ATOM 386 C3' G A 13 29.751 17.023 12.759 1.00 0.23 C ATOM 387 O3' G A 13 28.978 16.462 11.701 1.00 0.25 O ATOM 388 C2' G A 13 29.474 16.349 14.087 1.00 0.24 C ATOM 389 O2' G A 13 29.395 14.920 13.959 1.00 0.26 O ATOM 390 C1' G A 13 30.706 16.758 14.877 1.00 0.24 C ATOM 391 N9 G A 13 30.444 18.012 15.620 1.00 0.25 N ATOM 392 C8 G A 13 30.245 19.275 15.145 1.00 0.30 C ATOM 393 N7 G A 13 29.996 20.168 16.060 1.00 0.31 N ATOM 394 C5 G A 13 30.016 19.435 17.244 1.00 0.25 C ATOM 395 C6 G A 13 29.821 19.860 18.577 1.00 0.26 C ATOM 396 O6 G A 13 29.573 20.990 19.001 1.00 0.32 O ATOM 397 N1 G A 13 29.935 18.808 19.465 1.00 0.25 N ATOM 398 C2 G A 13 30.213 17.504 19.117 1.00 0.24 C ATOM 399 N2 G A 13 30.294 16.628 20.109 1.00 0.30 N ATOM 400 N3 G A 13 30.405 17.099 17.872 1.00 0.22 N ATOM 401 C4 G A 13 30.297 18.112 16.983 1.00 0.22 C ATOM 0 H5' G A 13 32.940 17.368 11.463 1.00 0.25 H new ATOM 0 H5'' G A 13 31.396 17.672 10.692 1.00 0.25 H new ATOM 0 H4' G A 13 31.411 15.753 12.232 1.00 0.24 H new ATOM 0 H3' G A 13 29.486 18.079 12.708 1.00 0.23 H new ATOM 0 H2' G A 13 28.523 16.633 14.539 1.00 0.24 H new ATOM 0 HO2' G A 13 29.107 14.531 14.811 1.00 0.26 H new ATOM 0 H1' G A 13 30.966 16.004 15.620 1.00 0.24 H new ATOM 0 H8 G A 13 30.290 19.516 14.093 1.00 0.30 H new ATOM 0 H1 G A 13 29.803 19.012 20.456 1.00 0.25 H new ATOM 0 H21 G A 13 30.497 15.649 19.909 1.00 0.30 H new ATOM 0 H22 G A 13 30.153 16.933 21.072 1.00 0.30 H new ATOM 413 P C A 14 27.439 16.896 11.536 1.00 0.28 P ATOM 414 OP1 C A 14 26.845 16.085 10.449 1.00 0.34 O ATOM 415 OP2 C A 14 27.359 18.368 11.447 1.00 0.32 O ATOM 416 O5' C A 14 26.790 16.437 12.942 1.00 0.29 O ATOM 417 C5' C A 14 26.795 15.062 13.327 1.00 0.30 C ATOM 418 C4' C A 14 26.419 14.860 14.794 1.00 0.27 C ATOM 419 O4' C A 14 27.199 15.663 15.659 1.00 0.32 O ATOM 420 C3' C A 14 24.977 15.193 15.055 1.00 0.22 C ATOM 421 O3' C A 14 24.124 14.121 14.640 1.00 0.25 O ATOM 422 C2' C A 14 25.007 15.361 16.572 1.00 0.24 C ATOM 423 O2' C A 14 24.756 14.121 17.249 1.00 0.31 O ATOM 424 C1' C A 14 26.433 15.863 16.841 1.00 0.27 C ATOM 425 N1 C A 14 26.430 17.289 17.236 1.00 0.26 N ATOM 426 C2 C A 14 26.275 17.581 18.590 1.00 0.29 C ATOM 427 O2 C A 14 26.139 16.676 19.411 1.00 0.34 O ATOM 428 N3 C A 14 26.261 18.886 18.971 1.00 0.31 N ATOM 429 C4 C A 14 26.396 19.868 18.067 1.00 0.30 C ATOM 430 N4 C A 14 26.377 21.136 18.476 1.00 0.34 N ATOM 431 C5 C A 14 26.583 19.579 16.683 1.00 0.29 C ATOM 432 C6 C A 14 26.594 18.281 16.311 1.00 0.27 C ATOM 0 H5' C A 14 27.785 14.642 13.149 1.00 0.30 H new ATOM 0 H5'' C A 14 26.097 14.510 12.698 1.00 0.30 H new ATOM 0 H4' C A 14 26.605 13.805 14.995 1.00 0.27 H new ATOM 0 H3' C A 14 24.590 16.061 14.520 1.00 0.22 H new ATOM 0 H2' C A 14 24.236 16.041 16.936 1.00 0.24 H new ATOM 0 HO2' C A 14 23.999 14.230 17.861 1.00 0.31 H new ATOM 0 H1' C A 14 26.873 15.307 17.669 1.00 0.27 H new ATOM 0 H41 C A 14 26.479 21.892 17.799 1.00 0.34 H new ATOM 0 H42 C A 14 26.261 21.351 19.466 1.00 0.34 H new ATOM 0 H5 C A 14 26.711 20.370 15.959 1.00 0.29 H new ATOM 0 H6 C A 14 26.734 18.024 15.271 1.00 0.27 H new ATOM 444 P U A 15 22.520 14.235 14.728 1.00 0.23 P ATOM 445 OP1 U A 15 21.939 13.208 13.829 1.00 0.31 O ATOM 446 OP2 U A 15 22.128 15.650 14.552 1.00 0.28 O ATOM 447 O5' U A 15 22.236 13.800 16.251 1.00 0.27 O ATOM 448 C5' U A 15 22.461 12.456 16.683 1.00 0.27 C ATOM 449 C4' U A 15 22.230 12.310 18.174 1.00 0.30 C ATOM 450 O4' U A 15 23.141 13.130 18.887 1.00 0.32 O ATOM 451 C3' U A 15 20.817 12.735 18.542 1.00 0.31 C ATOM 452 O3' U A 15 19.905 11.630 18.540 1.00 0.34 O ATOM 453 C2' U A 15 21.016 13.287 19.949 1.00 0.35 C ATOM 454 O2' U A 15 20.940 12.261 20.943 1.00 0.42 O ATOM 455 C1' U A 15 22.413 13.865 19.867 1.00 0.34 C ATOM 456 N1 U A 15 22.364 15.308 19.530 1.00 0.35 N ATOM 457 C2 U A 15 22.320 16.207 20.578 1.00 0.40 C ATOM 458 O2 U A 15 22.297 15.843 21.755 1.00 0.44 O ATOM 459 N3 U A 15 22.280 17.542 20.231 1.00 0.43 N ATOM 460 C4 U A 15 22.285 18.051 18.947 1.00 0.45 C ATOM 461 O4 U A 15 22.254 19.263 18.753 1.00 0.51 O ATOM 462 C5 U A 15 22.333 17.047 17.914 1.00 0.44 C ATOM 463 C6 U A 15 22.372 15.730 18.229 1.00 0.39 C ATOM 0 H5' U A 15 23.482 12.160 16.440 1.00 0.27 H new ATOM 0 H5'' U A 15 21.797 11.782 16.142 1.00 0.27 H new ATOM 0 H4' U A 15 22.377 11.262 18.436 1.00 0.30 H new ATOM 0 H3' U A 15 20.380 13.446 17.841 1.00 0.31 H new ATOM 0 H2' U A 15 20.252 14.008 20.241 1.00 0.35 H new ATOM 0 HO2' U A 15 20.859 11.388 20.506 1.00 0.42 H new ATOM 0 H1' U A 15 22.912 13.780 20.832 1.00 0.34 H new ATOM 0 H3 U A 15 22.243 18.217 20.995 1.00 0.43 H new ATOM 0 H5 U A 15 22.338 17.348 16.877 1.00 0.44 H new ATOM 0 H6 U A 15 22.410 14.998 17.436 1.00 0.39 H new ATOM 474 P C A 16 18.322 11.891 18.717 1.00 0.33 P ATOM 475 OP1 C A 16 17.644 10.582 18.807 1.00 0.45 O ATOM 476 OP2 C A 16 17.893 12.853 17.673 1.00 0.44 O ATOM 477 O5' C A 16 18.241 12.612 20.157 1.00 0.26 O ATOM 478 C5' C A 16 18.180 11.841 21.355 1.00 0.21 C ATOM 479 C4' C A 16 17.679 12.648 22.548 1.00 0.21 C ATOM 480 O4' C A 16 18.589 13.696 22.878 1.00 0.25 O ATOM 481 C3' C A 16 16.323 13.277 22.288 1.00 0.22 C ATOM 482 O3' C A 16 15.235 12.378 22.529 1.00 0.26 O ATOM 483 C2' C A 16 16.364 14.400 23.318 1.00 0.29 C ATOM 484 O2' C A 16 16.057 13.911 24.634 1.00 0.40 O ATOM 485 C1' C A 16 17.815 14.856 23.196 1.00 0.26 C ATOM 486 N1 C A 16 17.938 15.873 22.132 1.00 0.25 N ATOM 487 C2 C A 16 17.578 17.173 22.435 1.00 0.31 C ATOM 488 O2 C A 16 17.247 17.471 23.580 1.00 0.39 O ATOM 489 N3 C A 16 17.623 18.107 21.447 1.00 0.33 N ATOM 490 C4 C A 16 18.009 17.779 20.209 1.00 0.33 C ATOM 491 N4 C A 16 18.042 18.705 19.257 1.00 0.43 N ATOM 492 C5 C A 16 18.390 16.437 19.898 1.00 0.31 C ATOM 493 C6 C A 16 18.339 15.524 20.880 1.00 0.25 C ATOM 0 H5' C A 16 19.171 11.446 21.579 1.00 0.21 H new ATOM 0 H5'' C A 16 17.523 10.985 21.199 1.00 0.21 H new ATOM 0 H4' C A 16 17.596 11.940 23.373 1.00 0.21 H new ATOM 0 H3' C A 16 16.160 13.588 21.256 1.00 0.22 H new ATOM 0 H2' C A 16 15.637 15.196 23.154 1.00 0.29 H new ATOM 0 HO2' C A 16 16.092 14.652 25.275 1.00 0.40 H new ATOM 0 H1' C A 16 18.166 15.309 24.123 1.00 0.26 H new ATOM 0 H41 C A 16 18.336 18.455 18.313 1.00 0.43 H new ATOM 0 H42 C A 16 17.773 19.665 19.470 1.00 0.43 H new ATOM 0 H5 C A 16 18.709 16.166 18.903 1.00 0.31 H new ATOM 0 H6 C A 16 18.619 14.502 20.674 1.00 0.25 H new ATOM 505 P A A 17 13.708 12.811 22.185 1.00 0.26 P ATOM 506 OP1 A A 17 12.820 11.749 22.716 1.00 0.34 O ATOM 507 OP2 A A 17 13.625 13.172 20.764 1.00 0.30 O ATOM 508 O5' A A 17 13.487 14.139 23.084 1.00 0.30 O ATOM 509 C5' A A 17 13.133 14.031 24.469 1.00 0.32 C ATOM 510 C4' A A 17 12.885 15.397 25.091 1.00 0.32 C ATOM 511 O4' A A 17 13.982 16.281 24.858 1.00 0.34 O ATOM 512 C3' A A 17 11.641 16.056 24.519 1.00 0.33 C ATOM 513 O3' A A 17 10.439 15.636 25.172 1.00 0.44 O ATOM 514 C2' A A 17 11.952 17.519 24.805 1.00 0.36 C ATOM 515 O2' A A 17 11.666 17.881 26.166 1.00 0.47 O ATOM 516 C1' A A 17 13.453 17.562 24.531 1.00 0.31 C ATOM 517 N9 A A 17 13.717 17.887 23.115 1.00 0.26 N ATOM 518 C8 A A 17 14.010 17.043 22.079 1.00 0.28 C ATOM 519 N7 A A 17 14.211 17.634 20.945 1.00 0.32 N ATOM 520 C5 A A 17 14.026 18.983 21.251 1.00 0.31 C ATOM 521 C6 A A 17 14.100 20.149 20.478 1.00 0.41 C ATOM 522 N6 A A 17 14.407 20.155 19.184 1.00 0.53 N ATOM 523 N1 A A 17 13.860 21.314 21.106 1.00 0.44 N ATOM 524 C2 A A 17 13.574 21.335 22.409 1.00 0.38 C ATOM 525 N3 A A 17 13.491 20.298 23.226 1.00 0.31 N ATOM 526 C4 A A 17 13.731 19.144 22.574 1.00 0.26 C ATOM 0 H5' A A 17 13.931 13.523 25.011 1.00 0.32 H new ATOM 0 H5'' A A 17 12.238 13.417 24.570 1.00 0.32 H new ATOM 0 H4' A A 17 12.758 15.223 26.159 1.00 0.32 H new ATOM 0 H3' A A 17 11.453 15.816 23.472 1.00 0.33 H new ATOM 0 H2' A A 17 11.359 18.215 24.212 1.00 0.36 H new ATOM 0 HO2' A A 17 11.039 17.234 26.552 1.00 0.47 H new ATOM 0 HO3' A A 17 9.671 16.090 24.767 1.00 0.44 H new ATOM 0 H1' A A 17 13.927 18.337 25.133 1.00 0.31 H new ATOM 0 H8 A A 17 14.069 15.971 22.198 1.00 0.28 H new ATOM 0 H61 A A 17 14.445 21.037 18.673 1.00 0.53 H new ATOM 0 H62 A A 17 14.604 19.278 18.703 1.00 0.53 H new ATOM 0 H2 A A 17 13.390 22.306 22.845 1.00 0.38 H new TER 539 A A 17