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= -0.229 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0105 USER MOD Single : A 2 G O2' : rot 180:sc= -0.362 USER MOD Single : A 3 A O2' : rot -29:sc= 0.144 USER MOD Single : A 4 U O2' : rot 180:sc= -0.267 USER MOD Single : A 5 G O2' : rot -8:sc= 0.12 USER MOD Single : A 6 U O2' : rot -16:sc= -0.421 USER MOD Single : A 7 C O2' : rot -10:sc= -0.208 USER MOD Single : A 8 C O2' : rot -20:sc= 0.208 USER MOD Single : A 8 C O3' : rot 180:sc= 0.226 USER MOD Single : B 9 G O2' : rot 180:sc= -0.266 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00154 USER MOD Single : B 10 G O2' : rot -23:sc= 0.054 USER MOD Single : B 11 A O2' : rot -24:sc= 0.167 USER MOD Single : B 12 U O2' : rot -170:sc= -0.286 USER MOD Single : B 13 G O2' : rot -8:sc= 0.113 USER MOD Single : B 14 U O2' : rot -17:sc= -0.42 USER MOD Single : B 15 C O2' : rot -10:sc= -0.188 USER MOD Single : B 16 C O2' : rot -27:sc= 0.159 USER MOD Single : B 16 C O3' : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.329 -7.988 5.563 1.00 0.00 O ATOM 2 C5' G A 1 6.661 -8.440 5.668 1.00 0.00 C ATOM 3 C4' G A 1 7.623 -7.348 5.191 1.00 0.00 C ATOM 4 O4' G A 1 7.406 -7.027 3.817 1.00 0.00 O ATOM 5 C3' G A 1 7.443 -6.044 5.943 1.00 0.00 C ATOM 6 O3' G A 1 8.043 -6.070 7.225 1.00 0.00 O ATOM 7 C2' G A 1 8.144 -5.098 4.996 1.00 0.00 C ATOM 8 O2' G A 1 9.545 -5.257 5.098 1.00 0.00 O ATOM 9 C1' G A 1 7.684 -5.628 3.639 1.00 0.00 C ATOM 10 N9 G A 1 6.448 -4.924 3.233 1.00 0.00 N ATOM 11 C8 G A 1 5.153 -5.378 3.239 1.00 0.00 C ATOM 12 N7 G A 1 4.281 -4.498 2.834 1.00 0.00 N ATOM 13 C5 G A 1 5.049 -3.377 2.537 1.00 0.00 C ATOM 14 C6 G A 1 4.649 -2.096 2.053 1.00 0.00 C ATOM 15 O6 G A 1 3.516 -1.700 1.792 1.00 0.00 O ATOM 16 N1 G A 1 5.739 -1.250 1.882 1.00 0.00 N ATOM 17 C2 G A 1 7.050 -1.587 2.144 1.00 0.00 C ATOM 18 N2 G A 1 7.970 -0.641 1.926 1.00 0.00 N ATOM 19 N3 G A 1 7.429 -2.786 2.601 1.00 0.00 N ATOM 20 C4 G A 1 6.378 -3.629 2.774 1.00 0.00 C ATOM 0 H5' G A 1 6.796 -9.342 5.071 1.00 0.00 H new ATOM 0 H5'' G A 1 6.883 -8.706 6.701 1.00 0.00 H new ATOM 0 H4' G A 1 8.618 -7.760 5.362 1.00 0.00 H new ATOM 0 H3' G A 1 6.408 -5.784 6.166 1.00 0.00 H new ATOM 0 H2' G A 1 7.925 -4.046 5.180 1.00 0.00 H new ATOM 0 HO2' G A 1 9.990 -4.641 4.480 1.00 0.00 H new ATOM 0 HO5' G A 1 4.720 -8.692 5.868 1.00 0.00 H new ATOM 0 H1' G A 1 8.442 -5.471 2.871 1.00 0.00 H new ATOM 0 H8 G A 1 4.881 -6.375 3.551 1.00 0.00 H new ATOM 0 H1 G A 1 5.555 -0.308 1.536 1.00 0.00 H new ATOM 0 H21 G A 1 8.955 -0.837 2.103 1.00 0.00 H new ATOM 0 H22 G A 1 7.686 0.277 1.582 1.00 0.00 H new ATOM 33 P G A 2 7.690 -4.939 8.328 1.00 0.00 P ATOM 34 OP1 G A 2 8.449 -5.250 9.560 1.00 0.00 O ATOM 35 OP2 G A 2 6.218 -4.808 8.388 1.00 0.00 O ATOM 36 O5' G A 2 8.287 -3.579 7.704 1.00 0.00 O ATOM 37 C5' G A 2 9.678 -3.341 7.681 1.00 0.00 C ATOM 38 C4' G A 2 9.959 -1.987 7.024 1.00 0.00 C ATOM 39 O4' G A 2 9.444 -1.941 5.690 1.00 0.00 O ATOM 40 C3' G A 2 9.294 -0.829 7.746 1.00 0.00 C ATOM 41 O3' G A 2 9.988 -0.439 8.917 1.00 0.00 O ATOM 42 C2' G A 2 9.367 0.221 6.662 1.00 0.00 C ATOM 43 O2' G A 2 10.693 0.691 6.521 1.00 0.00 O ATOM 44 C1' G A 2 8.999 -0.598 5.431 1.00 0.00 C ATOM 45 N9 G A 2 7.528 -0.574 5.258 1.00 0.00 N ATOM 46 C8 G A 2 6.606 -1.545 5.556 1.00 0.00 C ATOM 47 N7 G A 2 5.374 -1.204 5.299 1.00 0.00 N ATOM 48 C5 G A 2 5.481 0.089 4.801 1.00 0.00 C ATOM 49 C6 G A 2 4.465 0.984 4.357 1.00 0.00 C ATOM 50 O6 G A 2 3.252 0.795 4.308 1.00 0.00 O ATOM 51 N1 G A 2 4.996 2.201 3.948 1.00 0.00 N ATOM 52 C2 G A 2 6.338 2.520 3.953 1.00 0.00 C ATOM 53 N2 G A 2 6.667 3.742 3.523 1.00 0.00 N ATOM 54 N3 G A 2 7.296 1.680 4.364 1.00 0.00 N ATOM 55 C4 G A 2 6.796 0.487 4.775 1.00 0.00 C ATOM 0 H5' G A 2 10.183 -4.135 7.131 1.00 0.00 H new ATOM 0 H5'' G A 2 10.076 -3.353 8.696 1.00 0.00 H new ATOM 0 H4' G A 2 11.044 -1.888 7.055 1.00 0.00 H new ATOM 0 H3' G A 2 8.293 -1.042 8.121 1.00 0.00 H new ATOM 0 H2' G A 2 8.739 1.093 6.846 1.00 0.00 H new ATOM 0 HO2' G A 2 10.726 1.369 5.815 1.00 0.00 H new ATOM 0 H1' G A 2 9.459 -0.203 4.525 1.00 0.00 H new ATOM 0 H8 G A 2 6.876 -2.506 5.967 1.00 0.00 H new ATOM 0 H1 G A 2 4.344 2.913 3.619 1.00 0.00 H new ATOM 0 H21 G A 2 7.645 4.030 3.506 1.00 0.00 H new ATOM 0 H22 G A 2 5.940 4.386 3.212 1.00 0.00 H new ATOM 67 P A A 3 9.274 0.491 10.039 1.00 0.00 P ATOM 68 OP1 A A 3 10.259 0.751 11.111 1.00 0.00 O ATOM 69 OP2 A A 3 7.972 -0.126 10.375 1.00 0.00 O ATOM 70 O5' A A 3 8.982 1.883 9.277 1.00 0.00 O ATOM 71 C5' A A 3 10.037 2.757 8.937 1.00 0.00 C ATOM 72 C4' A A 3 9.484 3.975 8.191 1.00 0.00 C ATOM 73 O4' A A 3 8.746 3.581 7.032 1.00 0.00 O ATOM 74 C3' A A 3 8.516 4.805 9.009 1.00 0.00 C ATOM 75 O3' A A 3 9.174 5.661 9.921 1.00 0.00 O ATOM 76 C2' A A 3 7.819 5.583 7.928 1.00 0.00 C ATOM 77 O2' A A 3 8.659 6.623 7.470 1.00 0.00 O ATOM 78 C1' A A 3 7.682 4.530 6.834 1.00 0.00 C ATOM 79 N9 A A 3 6.369 3.853 6.951 1.00 0.00 N ATOM 80 C8 A A 3 6.086 2.567 7.342 1.00 0.00 C ATOM 81 N7 A A 3 4.820 2.262 7.285 1.00 0.00 N ATOM 82 C5 A A 3 4.216 3.432 6.840 1.00 0.00 C ATOM 83 C6 A A 3 2.876 3.771 6.577 1.00 0.00 C ATOM 84 N6 A A 3 1.860 2.911 6.718 1.00 0.00 N ATOM 85 N1 A A 3 2.619 5.030 6.177 1.00 0.00 N ATOM 86 C2 A A 3 3.630 5.883 6.038 1.00 0.00 C ATOM 87 N3 A A 3 4.925 5.682 6.238 1.00 0.00 N ATOM 88 C4 A A 3 5.151 4.412 6.647 1.00 0.00 C ATOM 0 H5' A A 3 10.765 2.237 8.314 1.00 0.00 H new ATOM 0 H5'' A A 3 10.560 3.078 9.838 1.00 0.00 H new ATOM 0 H4' A A 3 10.372 4.560 7.949 1.00 0.00 H new ATOM 0 H3' A A 3 7.855 4.212 9.642 1.00 0.00 H new ATOM 0 H2' A A 3 6.880 6.041 8.241 1.00 0.00 H new ATOM 0 HO2' A A 3 9.251 6.910 8.197 1.00 0.00 H new ATOM 0 H1' A A 3 7.742 4.981 5.844 1.00 0.00 H new ATOM 0 H8 A A 3 6.845 1.871 7.668 1.00 0.00 H new ATOM 0 H61 A A 3 0.907 3.210 6.513 1.00 0.00 H new ATOM 0 H62 A A 3 2.039 1.957 7.030 1.00 0.00 H new ATOM 0 H2 A A 3 3.358 6.878 5.718 1.00 0.00 H new ATOM 100 P U A 4 8.789 5.650 11.478 1.00 0.00 P ATOM 101 OP1 U A 4 9.753 6.501 12.209 1.00 0.00 O ATOM 102 OP2 U A 4 8.565 4.250 11.900 1.00 0.00 O ATOM 103 O5' U A 4 7.371 6.408 11.433 1.00 0.00 O ATOM 104 C5' U A 4 7.310 7.786 11.119 1.00 0.00 C ATOM 105 C4' U A 4 5.862 8.199 10.855 1.00 0.00 C ATOM 106 O4' U A 4 5.336 7.516 9.721 1.00 0.00 O ATOM 107 C3' U A 4 4.930 7.855 11.997 1.00 0.00 C ATOM 108 O3' U A 4 5.037 8.773 13.070 1.00 0.00 O ATOM 109 C2' U A 4 3.600 7.950 11.289 1.00 0.00 C ATOM 110 O2' U A 4 3.248 9.306 11.120 1.00 0.00 O ATOM 111 C1' U A 4 3.923 7.359 9.915 1.00 0.00 C ATOM 112 N1 U A 4 3.552 5.923 9.875 1.00 0.00 N ATOM 113 C2 U A 4 2.218 5.625 9.650 1.00 0.00 C ATOM 114 O2 U A 4 1.377 6.506 9.485 1.00 0.00 O ATOM 115 N3 U A 4 1.883 4.281 9.620 1.00 0.00 N ATOM 116 C4 U A 4 2.759 3.222 9.802 1.00 0.00 C ATOM 117 O4 U A 4 2.354 2.063 9.768 1.00 0.00 O ATOM 118 C5 U A 4 4.135 3.623 10.017 1.00 0.00 C ATOM 119 C6 U A 4 4.485 4.931 10.044 1.00 0.00 C ATOM 0 H5' U A 4 7.922 7.995 10.242 1.00 0.00 H new ATOM 0 H5'' U A 4 7.720 8.373 11.941 1.00 0.00 H new ATOM 0 H4' U A 4 5.904 9.279 10.710 1.00 0.00 H new ATOM 0 H3' U A 4 5.124 6.894 12.474 1.00 0.00 H new ATOM 0 H2' U A 4 2.786 7.456 11.819 1.00 0.00 H new ATOM 0 HO2' U A 4 2.385 9.365 10.660 1.00 0.00 H new ATOM 0 H1' U A 4 3.363 7.864 9.128 1.00 0.00 H new ATOM 0 H3 U A 4 0.904 4.050 9.449 1.00 0.00 H new ATOM 0 H5 U A 4 4.893 2.867 10.158 1.00 0.00 H new ATOM 0 H6 U A 4 5.519 5.199 10.202 1.00 0.00 H new ATOM 130 P G A 5 4.270 8.508 14.464 1.00 0.00 P ATOM 131 OP1 G A 5 4.675 9.561 15.421 1.00 0.00 O ATOM 132 OP2 G A 5 4.449 7.083 14.821 1.00 0.00 O ATOM 133 O5' G A 5 2.720 8.740 14.091 1.00 0.00 O ATOM 134 C5' G A 5 2.203 10.043 13.905 1.00 0.00 C ATOM 135 C4' G A 5 0.717 9.950 13.555 1.00 0.00 C ATOM 136 O4' G A 5 0.512 9.192 12.368 1.00 0.00 O ATOM 137 C3' G A 5 -0.068 9.217 14.622 1.00 0.00 C ATOM 138 O3' G A 5 -0.353 10.037 15.744 1.00 0.00 O ATOM 139 C2' G A 5 -1.316 8.861 13.853 1.00 0.00 C ATOM 140 O2' G A 5 -2.209 9.956 13.852 1.00 0.00 O ATOM 141 C1' G A 5 -0.806 8.634 12.435 1.00 0.00 C ATOM 142 N9 G A 5 -0.780 7.186 12.159 1.00 0.00 N ATOM 143 C8 G A 5 0.265 6.312 12.256 1.00 0.00 C ATOM 144 N7 G A 5 -0.045 5.076 11.973 1.00 0.00 N ATOM 145 C5 G A 5 -1.403 5.135 11.673 1.00 0.00 C ATOM 146 C6 G A 5 -2.312 4.098 11.299 1.00 0.00 C ATOM 147 O6 G A 5 -2.089 2.900 11.134 1.00 0.00 O ATOM 148 N1 G A 5 -3.594 4.590 11.117 1.00 0.00 N ATOM 149 C2 G A 5 -3.971 5.905 11.259 1.00 0.00 C ATOM 150 N2 G A 5 -5.258 6.185 11.033 1.00 0.00 N ATOM 151 N3 G A 5 -3.126 6.881 11.601 1.00 0.00 N ATOM 152 C4 G A 5 -1.862 6.425 11.793 1.00 0.00 C ATOM 0 H5' G A 5 2.745 10.552 13.108 1.00 0.00 H new ATOM 0 H5'' G A 5 2.339 10.634 14.811 1.00 0.00 H new ATOM 0 H4' G A 5 0.383 10.982 13.447 1.00 0.00 H new ATOM 0 H3' G A 5 0.457 8.367 15.058 1.00 0.00 H new ATOM 0 H2' G A 5 -1.843 8.004 14.272 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.874 10.652 14.456 1.00 0.00 H new ATOM 0 H1' G A 5 -1.449 9.107 11.692 1.00 0.00 H new ATOM 0 H8 G A 5 1.261 6.617 12.542 1.00 0.00 H new ATOM 0 H1 G A 5 -4.319 3.921 10.856 1.00 0.00 H new ATOM 0 H21 G A 5 -5.595 7.144 11.123 1.00 0.00 H new ATOM 0 H22 G A 5 -5.903 5.440 10.770 1.00 0.00 H new ATOM 164 P U A 6 -0.877 9.393 17.135 1.00 0.00 P ATOM 165 OP1 U A 6 -1.009 10.486 18.123 1.00 0.00 O ATOM 166 OP2 U A 6 -0.018 8.228 17.443 1.00 0.00 O ATOM 167 O5' U A 6 -2.360 8.840 16.803 1.00 0.00 O ATOM 168 C5' U A 6 -3.482 9.703 16.794 1.00 0.00 C ATOM 169 C4' U A 6 -4.769 8.892 16.559 1.00 0.00 C ATOM 170 O4' U A 6 -4.787 8.276 15.263 1.00 0.00 O ATOM 171 C3' U A 6 -4.933 7.745 17.545 1.00 0.00 C ATOM 172 O3' U A 6 -5.419 8.150 18.808 1.00 0.00 O ATOM 173 C2' U A 6 -5.954 6.917 16.811 1.00 0.00 C ATOM 174 O2' U A 6 -7.223 7.534 16.892 1.00 0.00 O ATOM 175 C1' U A 6 -5.467 7.008 15.379 1.00 0.00 C ATOM 176 N1 U A 6 -4.532 5.896 15.073 1.00 0.00 N ATOM 177 C2 U A 6 -5.068 4.731 14.541 1.00 0.00 C ATOM 178 O2 U A 6 -6.275 4.581 14.371 1.00 0.00 O ATOM 179 N3 U A 6 -4.162 3.739 14.208 1.00 0.00 N ATOM 180 C4 U A 6 -2.787 3.806 14.358 1.00 0.00 C ATOM 181 O4 U A 6 -2.078 2.853 14.046 1.00 0.00 O ATOM 182 C5 U A 6 -2.315 5.061 14.899 1.00 0.00 C ATOM 183 C6 U A 6 -3.183 6.040 15.239 1.00 0.00 C ATOM 0 H5' U A 6 -3.367 10.453 16.012 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.547 10.238 17.742 1.00 0.00 H new ATOM 0 H4' U A 6 -5.568 9.625 16.673 1.00 0.00 H new ATOM 0 H3' U A 6 -3.998 7.243 17.792 1.00 0.00 H new ATOM 0 H2' U A 6 -6.053 5.903 17.199 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.216 8.204 17.608 1.00 0.00 H new ATOM 0 H1' U A 6 -6.298 6.934 14.677 1.00 0.00 H new ATOM 0 H3 U A 6 -4.543 2.878 13.815 1.00 0.00 H new ATOM 0 H5 U A 6 -1.255 5.218 15.033 1.00 0.00 H new ATOM 0 H6 U A 6 -2.800 6.961 15.653 1.00 0.00 H new ATOM 194 P C A 7 -5.365 7.138 20.072 1.00 0.00 P ATOM 195 OP1 C A 7 -6.059 7.785 21.207 1.00 0.00 O ATOM 196 OP2 C A 7 -3.965 6.689 20.230 1.00 0.00 O ATOM 197 O5' C A 7 -6.246 5.862 19.604 1.00 0.00 O ATOM 198 C5' C A 7 -7.659 5.910 19.600 1.00 0.00 C ATOM 199 C4' C A 7 -8.231 4.552 19.166 1.00 0.00 C ATOM 200 O4' C A 7 -7.810 4.181 17.849 1.00 0.00 O ATOM 201 C3' C A 7 -7.762 3.419 20.054 1.00 0.00 C ATOM 202 O3' C A 7 -8.443 3.390 21.295 1.00 0.00 O ATOM 203 C2' C A 7 -8.116 2.234 19.185 1.00 0.00 C ATOM 204 O2' C A 7 -9.506 1.991 19.249 1.00 0.00 O ATOM 205 C1' C A 7 -7.772 2.739 17.783 1.00 0.00 C ATOM 206 N1 C A 7 -6.422 2.254 17.384 1.00 0.00 N ATOM 207 C2 C A 7 -6.306 0.914 17.024 1.00 0.00 C ATOM 208 O2 C A 7 -7.294 0.183 17.024 1.00 0.00 O ATOM 209 N3 C A 7 -5.076 0.442 16.677 1.00 0.00 N ATOM 210 C4 C A 7 -4.004 1.244 16.686 1.00 0.00 C ATOM 211 N4 C A 7 -2.816 0.741 16.336 1.00 0.00 N ATOM 212 C5 C A 7 -4.107 2.624 17.048 1.00 0.00 C ATOM 213 C6 C A 7 -5.332 3.083 17.381 1.00 0.00 C ATOM 0 H5' C A 7 -8.002 6.692 18.922 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.025 6.167 20.594 1.00 0.00 H new ATOM 0 H4' C A 7 -9.311 4.689 19.222 1.00 0.00 H new ATOM 0 H3' C A 7 -6.713 3.476 20.346 1.00 0.00 H new ATOM 0 H2' C A 7 -7.604 1.316 19.474 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.900 2.532 19.965 1.00 0.00 H new ATOM 0 H1' C A 7 -8.476 2.371 17.037 1.00 0.00 H new ATOM 0 H41 C A 7 -1.989 1.338 16.337 1.00 0.00 H new ATOM 0 H42 C A 7 -2.737 -0.240 16.068 1.00 0.00 H new ATOM 0 H5 C A 7 -3.242 3.271 17.055 1.00 0.00 H new ATOM 0 H6 C A 7 -5.455 4.122 17.650 1.00 0.00 H new ATOM 225 P C A 8 -7.891 2.491 22.518 1.00 0.00 P ATOM 226 OP1 C A 8 -8.818 2.649 23.661 1.00 0.00 O ATOM 227 OP2 C A 8 -6.454 2.796 22.693 1.00 0.00 O ATOM 228 O5' C A 8 -8.014 0.977 21.981 1.00 0.00 O ATOM 229 C5' C A 8 -9.259 0.310 21.951 1.00 0.00 C ATOM 230 C4' C A 8 -9.049 -1.124 21.457 1.00 0.00 C ATOM 231 O4' C A 8 -8.514 -1.150 20.139 1.00 0.00 O ATOM 232 C3' C A 8 -8.037 -1.869 22.303 1.00 0.00 C ATOM 233 O3' C A 8 -8.588 -2.339 23.513 1.00 0.00 O ATOM 234 C2' C A 8 -7.685 -3.009 21.382 1.00 0.00 C ATOM 235 O2' C A 8 -8.672 -4.016 21.480 1.00 0.00 O ATOM 236 C1' C A 8 -7.756 -2.362 19.998 1.00 0.00 C ATOM 237 N1 C A 8 -6.377 -2.061 19.554 1.00 0.00 N ATOM 238 C2 C A 8 -5.655 -3.088 18.956 1.00 0.00 C ATOM 239 O2 C A 8 -6.187 -4.175 18.738 1.00 0.00 O ATOM 240 N3 C A 8 -4.353 -2.857 18.628 1.00 0.00 N ATOM 241 C4 C A 8 -3.779 -1.675 18.890 1.00 0.00 C ATOM 242 N4 C A 8 -2.500 -1.488 18.550 1.00 0.00 N ATOM 243 C5 C A 8 -4.505 -0.620 19.531 1.00 0.00 C ATOM 244 C6 C A 8 -5.795 -0.859 19.837 1.00 0.00 C ATOM 0 H5' C A 8 -9.951 0.836 21.294 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.706 0.303 22.945 1.00 0.00 H new ATOM 0 H4' C A 8 -10.034 -1.587 21.506 1.00 0.00 H new ATOM 0 H3' C A 8 -7.193 -1.257 22.622 1.00 0.00 H new ATOM 0 H2' C A 8 -6.722 -3.469 21.603 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.167 -3.908 22.319 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.899 -2.814 24.023 1.00 0.00 H new ATOM 0 H1' C A 8 -8.227 -3.015 19.263 1.00 0.00 H new ATOM 0 H41 C A 8 -2.047 -0.595 18.742 1.00 0.00 H new ATOM 0 H42 C A 8 -1.977 -2.239 18.099 1.00 0.00 H new ATOM 0 H5 C A 8 -4.038 0.327 19.759 1.00 0.00 H new ATOM 0 H6 C A 8 -6.379 -0.086 20.315 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.435 -9.313 13.667 1.00 0.00 O ATOM 259 C5' G B 9 1.853 -10.596 13.585 1.00 0.00 C ATOM 260 C4' G B 9 0.418 -10.554 14.116 1.00 0.00 C ATOM 261 O4' G B 9 0.384 -10.171 15.490 1.00 0.00 O ATOM 262 C3' G B 9 -0.441 -9.534 13.398 1.00 0.00 C ATOM 263 O3' G B 9 -0.861 -9.977 12.120 1.00 0.00 O ATOM 264 C2' G B 9 -1.584 -9.433 14.379 1.00 0.00 C ATOM 265 O2' G B 9 -2.396 -10.585 14.290 1.00 0.00 O ATOM 266 C1' G B 9 -0.842 -9.456 15.716 1.00 0.00 C ATOM 267 N9 G B 9 -0.542 -8.069 16.132 1.00 0.00 N ATOM 268 C8 G B 9 0.650 -7.391 16.085 1.00 0.00 C ATOM 269 N7 G B 9 0.578 -6.162 16.514 1.00 0.00 N ATOM 270 C5 G B 9 -0.758 -6.009 16.871 1.00 0.00 C ATOM 271 C6 G B 9 -1.439 -4.875 17.403 1.00 0.00 C ATOM 272 O6 G B 9 -0.982 -3.765 17.664 1.00 0.00 O ATOM 273 N1 G B 9 -2.785 -5.144 17.626 1.00 0.00 N ATOM 274 C2 G B 9 -3.404 -6.349 17.369 1.00 0.00 C ATOM 275 N2 G B 9 -4.711 -6.424 17.640 1.00 0.00 N ATOM 276 N3 G B 9 -2.769 -7.414 16.867 1.00 0.00 N ATOM 277 C4 G B 9 -1.451 -7.174 16.644 1.00 0.00 C ATOM 0 H5' G B 9 2.442 -11.309 14.161 1.00 0.00 H new ATOM 0 H5'' G B 9 1.857 -10.941 12.551 1.00 0.00 H new ATOM 0 H4' G B 9 0.036 -11.563 13.959 1.00 0.00 H new ATOM 0 H3' G B 9 0.058 -8.592 13.171 1.00 0.00 H new ATOM 0 H2' G B 9 -2.228 -8.567 14.223 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.135 -10.514 14.930 1.00 0.00 H new ATOM 0 HO5' G B 9 3.354 -9.348 13.327 1.00 0.00 H new ATOM 0 H1' G B 9 -1.436 -9.930 16.497 1.00 0.00 H new ATOM 0 H8 G B 9 1.566 -7.836 15.725 1.00 0.00 H new ATOM 0 H1 G B 9 -3.358 -4.392 18.009 1.00 0.00 H new ATOM 0 H21 G B 9 -5.218 -7.292 17.469 1.00 0.00 H new ATOM 0 H22 G B 9 -5.201 -5.613 18.018 1.00 0.00 H new ATOM 290 P G B 10 -1.517 -8.946 11.058 1.00 0.00 P ATOM 291 OP1 G B 10 -1.819 -9.696 9.819 1.00 0.00 O ATOM 292 OP2 G B 10 -0.652 -7.747 10.997 1.00 0.00 O ATOM 293 O5' G B 10 -2.915 -8.519 11.737 1.00 0.00 O ATOM 294 C5' G B 10 -4.003 -9.417 11.783 1.00 0.00 C ATOM 295 C4' G B 10 -5.183 -8.760 12.504 1.00 0.00 C ATOM 296 O4' G B 10 -4.823 -8.363 13.831 1.00 0.00 O ATOM 297 C3' G B 10 -5.658 -7.487 11.829 1.00 0.00 C ATOM 298 O3' G B 10 -6.446 -7.730 10.677 1.00 0.00 O ATOM 299 C2' G B 10 -6.472 -6.907 12.959 1.00 0.00 C ATOM 300 O2' G B 10 -7.654 -7.661 13.131 1.00 0.00 O ATOM 301 C1' G B 10 -5.553 -7.165 14.146 1.00 0.00 C ATOM 302 N9 G B 10 -4.618 -6.026 14.296 1.00 0.00 N ATOM 303 C8 G B 10 -3.293 -5.945 13.947 1.00 0.00 C ATOM 304 N7 G B 10 -2.745 -4.792 14.208 1.00 0.00 N ATOM 305 C5 G B 10 -3.779 -4.048 14.763 1.00 0.00 C ATOM 306 C6 G B 10 -3.784 -2.704 15.236 1.00 0.00 C ATOM 307 O6 G B 10 -2.851 -1.906 15.269 1.00 0.00 O ATOM 308 N1 G B 10 -5.039 -2.327 15.699 1.00 0.00 N ATOM 309 C2 G B 10 -6.152 -3.141 15.715 1.00 0.00 C ATOM 310 N2 G B 10 -7.280 -2.606 16.193 1.00 0.00 N ATOM 311 N3 G B 10 -6.150 -4.406 15.279 1.00 0.00 N ATOM 312 C4 G B 10 -4.933 -4.792 14.816 1.00 0.00 C ATOM 0 H5' G B 10 -3.711 -10.331 12.300 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.295 -9.702 10.772 1.00 0.00 H new ATOM 0 H4' G B 10 -5.966 -9.519 12.491 1.00 0.00 H new ATOM 0 H3' G B 10 -4.862 -6.850 11.442 1.00 0.00 H new ATOM 0 H2' G B 10 -6.765 -5.867 12.814 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.865 -8.133 12.298 1.00 0.00 H new ATOM 0 H1' G B 10 -6.109 -7.274 15.077 1.00 0.00 H new ATOM 0 H8 G B 10 -2.753 -6.764 13.496 1.00 0.00 H new ATOM 0 H1 G B 10 -5.145 -1.377 16.054 1.00 0.00 H new ATOM 0 H21 G B 10 -8.134 -3.163 16.228 1.00 0.00 H new ATOM 0 H22 G B 10 -7.287 -1.641 16.523 1.00 0.00 H new ATOM 324 P A B 11 -6.694 -6.564 9.574 1.00 0.00 P ATOM 325 OP1 A B 11 -7.568 -7.116 8.516 1.00 0.00 O ATOM 326 OP2 A B 11 -5.377 -5.996 9.213 1.00 0.00 O ATOM 327 O5' A B 11 -7.525 -5.427 10.366 1.00 0.00 O ATOM 328 C5' A B 11 -8.884 -5.619 10.697 1.00 0.00 C ATOM 329 C4' A B 11 -9.412 -4.405 11.464 1.00 0.00 C ATOM 330 O4' A B 11 -8.625 -4.147 12.629 1.00 0.00 O ATOM 331 C3' A B 11 -9.375 -3.116 10.670 1.00 0.00 C ATOM 332 O3' A B 11 -10.459 -3.009 9.768 1.00 0.00 O ATOM 333 C2' A B 11 -9.480 -2.099 11.770 1.00 0.00 C ATOM 334 O2' A B 11 -10.813 -2.034 12.230 1.00 0.00 O ATOM 335 C1' A B 11 -8.604 -2.724 12.850 1.00 0.00 C ATOM 336 N9 A B 11 -7.218 -2.214 12.729 1.00 0.00 N ATOM 337 C8 A B 11 -6.081 -2.874 12.334 1.00 0.00 C ATOM 338 N7 A B 11 -5.000 -2.146 12.385 1.00 0.00 N ATOM 339 C5 A B 11 -5.453 -0.909 12.830 1.00 0.00 C ATOM 340 C6 A B 11 -4.797 0.308 13.089 1.00 0.00 C ATOM 341 N6 A B 11 -3.478 0.477 12.943 1.00 0.00 N ATOM 342 N1 A B 11 -5.550 1.348 13.493 1.00 0.00 N ATOM 343 C2 A B 11 -6.861 1.179 13.639 1.00 0.00 C ATOM 344 N3 A B 11 -7.589 0.088 13.443 1.00 0.00 N ATOM 345 C4 A B 11 -6.806 -0.937 13.030 1.00 0.00 C ATOM 0 H5' A B 11 -8.996 -6.519 11.302 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.470 -5.770 9.790 1.00 0.00 H new ATOM 0 H4' A B 11 -10.442 -4.672 11.700 1.00 0.00 H new ATOM 0 H3' A B 11 -8.494 -3.015 10.036 1.00 0.00 H new ATOM 0 H2' A B 11 -9.189 -1.090 11.478 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.418 -2.343 11.524 1.00 0.00 H new ATOM 0 H1' A B 11 -8.970 -2.477 13.847 1.00 0.00 H new ATOM 0 H8 A B 11 -6.082 -3.904 12.010 1.00 0.00 H new ATOM 0 H61 A B 11 -3.054 1.383 13.145 1.00 0.00 H new ATOM 0 H62 A B 11 -2.896 -0.300 12.629 1.00 0.00 H new ATOM 0 H2 A B 11 -7.409 2.052 13.962 1.00 0.00 H new ATOM 357 P U B 12 -10.204 -2.727 8.210 1.00 0.00 P ATOM 358 OP1 U B 12 -11.489 -2.862 7.489 1.00 0.00 O ATOM 359 OP2 U B 12 -9.023 -3.506 7.776 1.00 0.00 O ATOM 360 O5' U B 12 -9.807 -1.171 8.258 1.00 0.00 O ATOM 361 C5' U B 12 -10.780 -0.196 8.577 1.00 0.00 C ATOM 362 C4' U B 12 -10.107 1.149 8.843 1.00 0.00 C ATOM 363 O4' U B 12 -9.242 1.071 9.973 1.00 0.00 O ATOM 364 C3' U B 12 -9.231 1.609 7.699 1.00 0.00 C ATOM 365 O3' U B 12 -9.988 2.154 6.633 1.00 0.00 O ATOM 366 C2' U B 12 -8.399 2.652 8.406 1.00 0.00 C ATOM 367 O2' U B 12 -9.161 3.826 8.585 1.00 0.00 O ATOM 368 C1' U B 12 -8.174 2.008 9.777 1.00 0.00 C ATOM 369 N1 U B 12 -6.864 1.313 9.808 1.00 0.00 N ATOM 370 C2 U B 12 -5.743 2.098 10.019 1.00 0.00 C ATOM 371 O2 U B 12 -5.824 3.314 10.179 1.00 0.00 O ATOM 372 N3 U B 12 -4.523 1.439 10.043 1.00 0.00 N ATOM 373 C4 U B 12 -4.335 0.077 9.867 1.00 0.00 C ATOM 374 O4 U B 12 -3.205 -0.406 9.894 1.00 0.00 O ATOM 375 C5 U B 12 -5.561 -0.669 9.668 1.00 0.00 C ATOM 376 C6 U B 12 -6.762 -0.046 9.648 1.00 0.00 C ATOM 0 H5' U B 12 -11.345 -0.509 9.455 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.492 -0.100 7.757 1.00 0.00 H new ATOM 0 H4' U B 12 -10.931 1.846 8.995 1.00 0.00 H new ATOM 0 H3' U B 12 -8.655 0.820 7.216 1.00 0.00 H new ATOM 0 H2' U B 12 -7.488 2.921 7.872 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.578 4.550 8.897 1.00 0.00 H new ATOM 0 H1' U B 12 -8.165 2.759 10.567 1.00 0.00 H new ATOM 0 H3 U B 12 -3.691 2.006 10.204 1.00 0.00 H new ATOM 0 H5 U B 12 -5.516 -1.740 9.533 1.00 0.00 H new ATOM 0 H6 U B 12 -7.659 -0.630 9.503 1.00 0.00 H new ATOM 387 P G B 13 -9.283 2.550 5.237 1.00 0.00 P ATOM 388 OP1 G B 13 -10.340 2.962 4.287 1.00 0.00 O ATOM 389 OP2 G B 13 -8.350 1.461 4.871 1.00 0.00 O ATOM 390 O5' G B 13 -8.412 3.851 5.611 1.00 0.00 O ATOM 391 C5' G B 13 -9.029 5.108 5.811 1.00 0.00 C ATOM 392 C4' G B 13 -7.959 6.145 6.160 1.00 0.00 C ATOM 393 O4' G B 13 -7.249 5.778 7.338 1.00 0.00 O ATOM 394 C3' G B 13 -6.899 6.242 5.084 1.00 0.00 C ATOM 395 O3' G B 13 -7.326 7.013 3.973 1.00 0.00 O ATOM 396 C2' G B 13 -5.789 6.920 5.848 1.00 0.00 C ATOM 397 O2' G B 13 -5.998 8.317 5.861 1.00 0.00 O ATOM 398 C1' G B 13 -5.951 6.380 7.263 1.00 0.00 C ATOM 399 N9 G B 13 -4.895 5.386 7.525 1.00 0.00 N ATOM 400 C8 G B 13 -4.950 4.025 7.421 1.00 0.00 C ATOM 401 N7 G B 13 -3.824 3.423 7.694 1.00 0.00 N ATOM 402 C5 G B 13 -2.953 4.467 7.995 1.00 0.00 C ATOM 403 C6 G B 13 -1.573 4.441 8.362 1.00 0.00 C ATOM 404 O6 G B 13 -0.834 3.470 8.518 1.00 0.00 O ATOM 405 N1 G B 13 -1.075 5.720 8.551 1.00 0.00 N ATOM 406 C2 G B 13 -1.797 6.883 8.419 1.00 0.00 C ATOM 407 N2 G B 13 -1.139 8.024 8.649 1.00 0.00 N ATOM 408 N3 G B 13 -3.090 6.916 8.083 1.00 0.00 N ATOM 409 C4 G B 13 -3.602 5.674 7.886 1.00 0.00 C ATOM 0 H5' G B 13 -9.764 5.042 6.613 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.565 5.410 4.912 1.00 0.00 H new ATOM 0 H4' G B 13 -8.498 7.085 6.280 1.00 0.00 H new ATOM 0 H3' G B 13 -6.626 5.286 4.637 1.00 0.00 H new ATOM 0 H2' G B 13 -4.804 6.736 5.419 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.744 8.542 5.266 1.00 0.00 H new ATOM 0 H1' G B 13 -5.862 7.170 8.009 1.00 0.00 H new ATOM 0 H8 G B 13 -5.846 3.493 7.138 1.00 0.00 H new ATOM 0 H1 G B 13 -0.092 5.806 8.809 1.00 0.00 H new ATOM 0 H21 G B 13 -1.623 8.918 8.566 1.00 0.00 H new ATOM 0 H22 G B 13 -0.153 8.001 8.907 1.00 0.00 H new ATOM 421 P U B 14 -6.508 6.985 2.575 1.00 0.00 P ATOM 422 OP1 U B 14 -7.239 7.827 1.602 1.00 0.00 O ATOM 423 OP2 U B 14 -6.224 5.570 2.249 1.00 0.00 O ATOM 424 O5' U B 14 -5.101 7.710 2.904 1.00 0.00 O ATOM 425 C5' U B 14 -4.986 9.120 2.925 1.00 0.00 C ATOM 426 C4' U B 14 -3.519 9.523 3.157 1.00 0.00 C ATOM 427 O4' U B 14 -3.048 9.107 4.446 1.00 0.00 O ATOM 428 C3' U B 14 -2.567 8.879 2.162 1.00 0.00 C ATOM 429 O3' U B 14 -2.554 9.514 0.899 1.00 0.00 O ATOM 430 C2' U B 14 -1.267 9.088 2.889 1.00 0.00 C ATOM 431 O2' U B 14 -0.896 10.448 2.820 1.00 0.00 O ATOM 432 C1' U B 14 -1.651 8.770 4.320 1.00 0.00 C ATOM 433 N1 U B 14 -1.446 7.328 4.610 1.00 0.00 N ATOM 434 C2 U B 14 -0.220 6.945 5.138 1.00 0.00 C ATOM 435 O2 U B 14 0.699 7.743 5.312 1.00 0.00 O ATOM 436 N3 U B 14 -0.086 5.606 5.460 1.00 0.00 N ATOM 437 C4 U B 14 -1.054 4.628 5.304 1.00 0.00 C ATOM 438 O4 U B 14 -0.819 3.462 5.606 1.00 0.00 O ATOM 439 C5 U B 14 -2.304 5.119 4.768 1.00 0.00 C ATOM 440 C6 U B 14 -2.454 6.421 4.438 1.00 0.00 C ATOM 0 H5' U B 14 -5.615 9.533 3.714 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.342 9.537 1.983 1.00 0.00 H new ATOM 0 H4' U B 14 -3.521 10.608 3.053 1.00 0.00 H new ATOM 0 H3' U B 14 -2.819 7.848 1.913 1.00 0.00 H new ATOM 0 H2' U B 14 -0.443 8.495 2.492 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.406 10.891 2.110 1.00 0.00 H new ATOM 0 H1' U B 14 -1.037 9.331 5.024 1.00 0.00 H new ATOM 0 H3 U B 14 0.810 5.312 5.849 1.00 0.00 H new ATOM 0 H5 U B 14 -3.129 4.436 4.629 1.00 0.00 H new ATOM 0 H6 U B 14 -3.396 6.754 4.027 1.00 0.00 H new ATOM 451 P C B 15 -1.837 8.806 -0.368 1.00 0.00 P ATOM 452 OP1 C B 15 -1.871 9.754 -1.504 1.00 0.00 O ATOM 453 OP2 C B 15 -2.424 7.457 -0.524 1.00 0.00 O ATOM 454 O5' C B 15 -0.295 8.626 0.091 1.00 0.00 O ATOM 455 C5' C B 15 0.599 9.721 0.098 1.00 0.00 C ATOM 456 C4' C B 15 1.998 9.256 0.528 1.00 0.00 C ATOM 457 O4' C B 15 2.000 8.685 1.842 1.00 0.00 O ATOM 458 C3' C B 15 2.541 8.163 -0.368 1.00 0.00 C ATOM 459 O3' C B 15 3.011 8.664 -1.606 1.00 0.00 O ATOM 460 C2' C B 15 3.665 7.641 0.497 1.00 0.00 C ATOM 461 O2' C B 15 4.764 8.526 0.439 1.00 0.00 O ATOM 462 C1' C B 15 3.060 7.706 1.900 1.00 0.00 C ATOM 463 N1 C B 15 2.535 6.368 2.291 1.00 0.00 N ATOM 464 C2 C B 15 3.467 5.397 2.647 1.00 0.00 C ATOM 465 O2 C B 15 4.667 5.659 2.647 1.00 0.00 O ATOM 466 N3 C B 15 3.013 4.159 2.991 1.00 0.00 N ATOM 467 C4 C B 15 1.702 3.881 2.983 1.00 0.00 C ATOM 468 N4 C B 15 1.299 2.655 3.331 1.00 0.00 N ATOM 469 C5 C B 15 0.732 4.869 2.624 1.00 0.00 C ATOM 470 C6 C B 15 1.193 6.094 2.293 1.00 0.00 C ATOM 0 H5' C B 15 0.238 10.491 0.779 1.00 0.00 H new ATOM 0 H5'' C B 15 0.645 10.169 -0.894 1.00 0.00 H new ATOM 0 H4' C B 15 2.606 10.159 0.478 1.00 0.00 H new ATOM 0 H3' C B 15 1.806 7.415 -0.665 1.00 0.00 H new ATOM 0 H2' C B 15 4.017 6.653 0.201 1.00 0.00 H new ATOM 0 HO2' C B 15 4.617 9.184 -0.272 1.00 0.00 H new ATOM 0 H1' C B 15 3.802 7.988 2.647 1.00 0.00 H new ATOM 0 H41 C B 15 0.305 2.426 3.331 1.00 0.00 H new ATOM 0 H42 C B 15 1.985 1.949 3.597 1.00 0.00 H new ATOM 0 H5 C B 15 -0.324 4.645 2.618 1.00 0.00 H new ATOM 0 H6 C B 15 0.492 6.871 2.025 1.00 0.00 H new ATOM 482 P C B 16 3.326 7.666 -2.835 1.00 0.00 P ATOM 483 OP1 C B 16 3.815 8.475 -3.973 1.00 0.00 O ATOM 484 OP2 C B 16 2.154 6.782 -3.014 1.00 0.00 O ATOM 485 O5' C B 16 4.550 6.762 -2.304 1.00 0.00 O ATOM 486 C5' C B 16 5.871 7.264 -2.273 1.00 0.00 C ATOM 487 C4' C B 16 6.817 6.159 -1.797 1.00 0.00 C ATOM 488 O4' C B 16 6.502 5.733 -0.476 1.00 0.00 O ATOM 489 C3' C B 16 6.699 4.911 -2.646 1.00 0.00 C ATOM 490 O3' C B 16 7.380 5.028 -3.877 1.00 0.00 O ATOM 491 C2' C B 16 7.346 3.893 -1.739 1.00 0.00 C ATOM 492 O2' C B 16 8.752 3.981 -1.843 1.00 0.00 O ATOM 493 C1' C B 16 6.913 4.361 -0.349 1.00 0.00 C ATOM 494 N1 C B 16 5.776 3.521 0.091 1.00 0.00 N ATOM 495 C2 C B 16 6.073 2.297 0.683 1.00 0.00 C ATOM 496 O2 C B 16 7.240 1.979 0.900 1.00 0.00 O ATOM 497 N3 C B 16 5.040 1.470 1.006 1.00 0.00 N ATOM 498 C4 C B 16 3.773 1.819 0.746 1.00 0.00 C ATOM 499 N4 C B 16 2.788 0.980 1.082 1.00 0.00 N ATOM 500 C5 C B 16 3.459 3.065 0.112 1.00 0.00 C ATOM 501 C6 C B 16 4.489 3.877 -0.190 1.00 0.00 C ATOM 0 H5' C B 16 5.931 8.123 -1.605 1.00 0.00 H new ATOM 0 H5'' C B 16 6.165 7.609 -3.264 1.00 0.00 H new ATOM 0 H4' C B 16 7.814 6.595 -1.858 1.00 0.00 H new ATOM 0 H3' C B 16 5.679 4.671 -2.945 1.00 0.00 H new ATOM 0 H2' C B 16 7.067 2.865 -1.970 1.00 0.00 H new ATOM 0 HO2' C B 16 8.994 4.327 -2.727 1.00 0.00 H new ATOM 0 HO3' C B 16 7.276 4.198 -4.388 1.00 0.00 H new ATOM 0 H1' C B 16 7.717 4.277 0.382 1.00 0.00 H new ATOM 0 H41 C B 16 1.818 1.230 0.891 1.00 0.00 H new ATOM 0 H42 C B 16 3.007 0.090 1.529 1.00 0.00 H new ATOM 0 H5 C B 16 2.440 3.341 -0.114 1.00 0.00 H new ATOM 0 H6 C B 16 4.293 4.828 -0.663 1.00 0.00 H new TER 514 C B 16