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= -0.476 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.497 USER MOD Single : A 3 A O2' : rot -12:sc= -0.946 USER MOD Single : A 4 G O2' : rot -19:sc= -0.663 USER MOD Single : A 5 U O2' : rot 2:sc= 0.0987 USER MOD Single : A 6 U O2' : rot -75:sc= 0.731 USER MOD Single : A 7 C O2' : rot -15:sc= -0.286 USER MOD Single : A 8 C O2' : rot -16:sc= 0.222 USER MOD Single : A 8 C O3' : rot 180:sc= 0.227 USER MOD Single : B 9 G O2' : rot 180:sc= -0.482 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00661 USER MOD Single : B 10 G O2' : rot 180:sc= -0.52 USER MOD Single : B 11 A O2' : rot -10:sc= -0.908 USER MOD Single : B 12 G O2' : rot -19:sc= -0.53 USER MOD Single : B 13 U O2' : rot -25:sc= 0.175 USER MOD Single : B 14 U O2' : rot -12:sc= -0.466 USER MOD Single : B 15 C O2' : rot -8:sc= -0.465 USER MOD Single : B 16 C O2' : rot -24:sc= 0.177 USER MOD Single : B 16 C O3' : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.652 -8.097 4.614 1.00 0.00 O ATOM 2 C5' G A 1 6.008 -8.461 4.472 1.00 0.00 C ATOM 3 C4' G A 1 6.832 -7.246 4.038 1.00 0.00 C ATOM 4 O4' G A 1 6.405 -6.750 2.770 1.00 0.00 O ATOM 5 C3' G A 1 6.688 -6.074 4.987 1.00 0.00 C ATOM 6 O3' G A 1 7.444 -6.225 6.172 1.00 0.00 O ATOM 7 C2' G A 1 7.225 -4.973 4.112 1.00 0.00 C ATOM 8 O2' G A 1 8.629 -5.075 4.019 1.00 0.00 O ATOM 9 C1' G A 1 6.623 -5.329 2.761 1.00 0.00 C ATOM 10 N9 G A 1 5.341 -4.618 2.584 1.00 0.00 N ATOM 11 C8 G A 1 4.061 -5.080 2.763 1.00 0.00 C ATOM 12 N7 G A 1 3.139 -4.192 2.516 1.00 0.00 N ATOM 13 C5 G A 1 3.856 -3.058 2.146 1.00 0.00 C ATOM 14 C6 G A 1 3.393 -1.766 1.760 1.00 0.00 C ATOM 15 O6 G A 1 2.234 -1.367 1.670 1.00 0.00 O ATOM 16 N1 G A 1 4.449 -0.911 1.463 1.00 0.00 N ATOM 17 C2 G A 1 5.784 -1.249 1.532 1.00 0.00 C ATOM 18 N2 G A 1 6.664 -0.292 1.221 1.00 0.00 N ATOM 19 N3 G A 1 6.222 -2.460 1.892 1.00 0.00 N ATOM 20 C4 G A 1 5.206 -3.311 2.185 1.00 0.00 C ATOM 0 H5' G A 1 6.104 -9.258 3.735 1.00 0.00 H new ATOM 0 H5'' G A 1 6.389 -8.851 5.416 1.00 0.00 H new ATOM 0 H4' G A 1 7.860 -7.607 4.014 1.00 0.00 H new ATOM 0 H3' G A 1 5.677 -5.921 5.366 1.00 0.00 H new ATOM 0 H2' G A 1 6.991 -3.971 4.472 1.00 0.00 H new ATOM 0 HO2' G A 1 8.972 -4.357 3.447 1.00 0.00 H new ATOM 0 HO5' G A 1 4.130 -8.879 4.890 1.00 0.00 H new ATOM 0 H1' G A 1 7.283 -5.041 1.943 1.00 0.00 H new ATOM 0 H8 G A 1 3.838 -6.088 3.080 1.00 0.00 H new ATOM 0 H1 G A 1 4.218 0.039 1.172 1.00 0.00 H new ATOM 0 H21 G A 1 7.664 -0.488 1.256 1.00 0.00 H new ATOM 0 H22 G A 1 6.335 0.634 0.949 1.00 0.00 H new ATOM 33 P G A 2 7.256 -5.197 7.405 1.00 0.00 P ATOM 34 OP1 G A 2 8.147 -5.631 8.504 1.00 0.00 O ATOM 35 OP2 G A 2 5.805 -5.049 7.654 1.00 0.00 O ATOM 36 O5' G A 2 7.812 -3.792 6.834 1.00 0.00 O ATOM 37 C5' G A 2 9.198 -3.566 6.688 1.00 0.00 C ATOM 38 C4' G A 2 9.449 -2.137 6.192 1.00 0.00 C ATOM 39 O4' G A 2 8.865 -1.884 4.912 1.00 0.00 O ATOM 40 C3' G A 2 8.864 -1.088 7.112 1.00 0.00 C ATOM 41 O3' G A 2 9.632 -0.887 8.283 1.00 0.00 O ATOM 42 C2' G A 2 8.915 0.101 6.196 1.00 0.00 C ATOM 43 O2' G A 2 10.250 0.531 6.032 1.00 0.00 O ATOM 44 C1' G A 2 8.435 -0.508 4.895 1.00 0.00 C ATOM 45 N9 G A 2 6.966 -0.466 4.802 1.00 0.00 N ATOM 46 C8 G A 2 6.077 -1.477 5.027 1.00 0.00 C ATOM 47 N7 G A 2 4.834 -1.152 4.804 1.00 0.00 N ATOM 48 C5 G A 2 4.905 0.177 4.395 1.00 0.00 C ATOM 49 C6 G A 2 3.866 1.071 3.995 1.00 0.00 C ATOM 50 O6 G A 2 2.658 0.857 3.930 1.00 0.00 O ATOM 51 N1 G A 2 4.371 2.319 3.647 1.00 0.00 N ATOM 52 C2 G A 2 5.704 2.668 3.668 1.00 0.00 C ATOM 53 N2 G A 2 6.005 3.917 3.299 1.00 0.00 N ATOM 54 N3 G A 2 6.683 1.830 4.035 1.00 0.00 N ATOM 55 C4 G A 2 6.211 0.606 4.387 1.00 0.00 C ATOM 0 H5' G A 2 9.619 -4.283 5.983 1.00 0.00 H new ATOM 0 H5'' G A 2 9.702 -3.722 7.642 1.00 0.00 H new ATOM 0 H4' G A 2 10.536 -2.067 6.151 1.00 0.00 H new ATOM 0 H3' G A 2 7.880 -1.334 7.511 1.00 0.00 H new ATOM 0 H2' G A 2 8.342 0.959 6.548 1.00 0.00 H new ATOM 0 HO2' G A 2 10.273 1.306 5.432 1.00 0.00 H new ATOM 0 H1' G A 2 8.837 0.043 4.045 1.00 0.00 H new ATOM 0 H8 G A 2 6.377 -2.460 5.360 1.00 0.00 H new ATOM 0 H1 G A 2 3.703 3.032 3.353 1.00 0.00 H new ATOM 0 H21 G A 2 6.976 4.228 3.296 1.00 0.00 H new ATOM 0 H22 G A 2 5.263 4.559 3.020 1.00 0.00 H new ATOM 67 P A A 3 9.029 -0.054 9.530 1.00 0.00 P ATOM 68 OP1 A A 3 10.091 0.075 10.553 1.00 0.00 O ATOM 69 OP2 A A 3 7.730 -0.661 9.895 1.00 0.00 O ATOM 70 O5' A A 3 8.739 1.411 8.919 1.00 0.00 O ATOM 71 C5' A A 3 9.793 2.310 8.651 1.00 0.00 C ATOM 72 C4' A A 3 9.227 3.625 8.105 1.00 0.00 C ATOM 73 O4' A A 3 8.514 3.446 6.886 1.00 0.00 O ATOM 74 C3' A A 3 8.258 4.279 9.067 1.00 0.00 C ATOM 75 O3' A A 3 8.930 4.970 10.102 1.00 0.00 O ATOM 76 C2' A A 3 7.542 5.229 8.135 1.00 0.00 C ATOM 77 O2' A A 3 8.375 6.333 7.848 1.00 0.00 O ATOM 78 C1' A A 3 7.431 4.389 6.859 1.00 0.00 C ATOM 79 N9 A A 3 6.172 3.639 6.849 1.00 0.00 N ATOM 80 C8 A A 3 5.978 2.317 7.122 1.00 0.00 C ATOM 81 N7 A A 3 4.740 1.926 7.006 1.00 0.00 N ATOM 82 C5 A A 3 4.068 3.079 6.613 1.00 0.00 C ATOM 83 C6 A A 3 2.722 3.339 6.303 1.00 0.00 C ATOM 84 N6 A A 3 1.762 2.410 6.363 1.00 0.00 N ATOM 85 N1 A A 3 2.401 4.589 5.919 1.00 0.00 N ATOM 86 C2 A A 3 3.356 5.513 5.855 1.00 0.00 C ATOM 87 N3 A A 3 4.648 5.395 6.125 1.00 0.00 N ATOM 88 C4 A A 3 4.938 4.128 6.505 1.00 0.00 C ATOM 0 H5' A A 3 10.482 1.872 7.929 1.00 0.00 H new ATOM 0 H5'' A A 3 10.363 2.499 9.561 1.00 0.00 H new ATOM 0 H4' A A 3 10.105 4.253 7.951 1.00 0.00 H new ATOM 0 H3' A A 3 7.607 3.583 9.595 1.00 0.00 H new ATOM 0 H2' A A 3 6.600 5.605 8.534 1.00 0.00 H new ATOM 0 HO2' A A 3 9.142 6.332 8.458 1.00 0.00 H new ATOM 0 H1' A A 3 7.465 5.033 5.981 1.00 0.00 H new ATOM 0 H8 A A 3 6.780 1.653 7.409 1.00 0.00 H new ATOM 0 H61 A A 3 0.800 2.654 6.127 1.00 0.00 H new ATOM 0 H62 A A 3 1.992 1.457 6.645 1.00 0.00 H new ATOM 0 H2 A A 3 3.034 6.494 5.540 1.00 0.00 H new ATOM 100 P G A 4 8.150 5.418 11.439 1.00 0.00 P ATOM 101 OP1 G A 4 9.064 6.255 12.247 1.00 0.00 O ATOM 102 OP2 G A 4 7.542 4.209 12.036 1.00 0.00 O ATOM 103 O5' G A 4 6.959 6.354 10.896 1.00 0.00 O ATOM 104 C5' G A 4 7.208 7.665 10.430 1.00 0.00 C ATOM 105 C4' G A 4 5.899 8.301 10.025 1.00 0.00 C ATOM 106 O4' G A 4 5.311 7.602 8.943 1.00 0.00 O ATOM 107 C3' G A 4 4.885 8.241 11.119 1.00 0.00 C ATOM 108 O3' G A 4 5.137 9.198 12.133 1.00 0.00 O ATOM 109 C2' G A 4 3.662 8.581 10.314 1.00 0.00 C ATOM 110 O2' G A 4 3.652 9.960 9.995 1.00 0.00 O ATOM 111 C1' G A 4 3.905 7.794 9.039 1.00 0.00 C ATOM 112 N9 G A 4 3.206 6.495 9.079 1.00 0.00 N ATOM 113 C8 G A 4 3.719 5.241 9.286 1.00 0.00 C ATOM 114 N7 G A 4 2.830 4.287 9.216 1.00 0.00 N ATOM 115 C5 G A 4 1.638 4.958 8.947 1.00 0.00 C ATOM 116 C6 G A 4 0.313 4.453 8.762 1.00 0.00 C ATOM 117 O6 G A 4 -0.080 3.287 8.786 1.00 0.00 O ATOM 118 N1 G A 4 -0.591 5.478 8.535 1.00 0.00 N ATOM 119 C2 G A 4 -0.280 6.816 8.472 1.00 0.00 C ATOM 120 N2 G A 4 -1.294 7.655 8.238 1.00 0.00 N ATOM 121 N3 G A 4 0.956 7.294 8.629 1.00 0.00 N ATOM 122 C4 G A 4 1.862 6.312 8.867 1.00 0.00 C ATOM 0 H5' G A 4 7.892 7.639 9.582 1.00 0.00 H new ATOM 0 H5'' G A 4 7.689 8.256 11.209 1.00 0.00 H new ATOM 0 H4' G A 4 6.145 9.332 9.769 1.00 0.00 H new ATOM 0 H3' G A 4 4.842 7.302 11.670 1.00 0.00 H new ATOM 0 H2' G A 4 2.726 8.359 10.827 1.00 0.00 H new ATOM 0 HO2' G A 4 4.251 10.441 10.604 1.00 0.00 H new ATOM 0 H1' G A 4 3.521 8.332 8.173 1.00 0.00 H new ATOM 0 H8 G A 4 4.764 5.058 9.489 1.00 0.00 H new ATOM 0 H1 G A 4 -1.569 5.219 8.404 1.00 0.00 H new ATOM 0 H21 G A 4 -1.123 8.659 8.181 1.00 0.00 H new ATOM 0 H22 G A 4 -2.239 7.291 8.117 1.00 0.00 H new ATOM 134 P U A 5 4.426 9.088 13.576 1.00 0.00 P ATOM 135 OP1 U A 5 4.697 10.338 14.321 1.00 0.00 O ATOM 136 OP2 U A 5 4.800 7.786 14.168 1.00 0.00 O ATOM 137 O5' U A 5 2.856 9.040 13.229 1.00 0.00 O ATOM 138 C5' U A 5 2.154 10.191 12.809 1.00 0.00 C ATOM 139 C4' U A 5 0.700 9.800 12.532 1.00 0.00 C ATOM 140 O4' U A 5 0.610 8.804 11.518 1.00 0.00 O ATOM 141 C3' U A 5 0.059 9.202 13.771 1.00 0.00 C ATOM 142 O3' U A 5 -0.467 10.200 14.636 1.00 0.00 O ATOM 143 C2' U A 5 -1.017 8.345 13.190 1.00 0.00 C ATOM 144 O2' U A 5 -2.167 9.124 12.934 1.00 0.00 O ATOM 145 C1' U A 5 -0.433 7.888 11.871 1.00 0.00 C ATOM 146 N1 U A 5 0.101 6.510 11.945 1.00 0.00 N ATOM 147 C2 U A 5 -0.792 5.471 11.736 1.00 0.00 C ATOM 148 O2 U A 5 -1.988 5.672 11.543 1.00 0.00 O ATOM 149 N3 U A 5 -0.263 4.190 11.751 1.00 0.00 N ATOM 150 C4 U A 5 1.080 3.872 11.917 1.00 0.00 C ATOM 151 O4 U A 5 1.450 2.701 11.924 1.00 0.00 O ATOM 152 C5 U A 5 1.944 5.029 12.063 1.00 0.00 C ATOM 153 C6 U A 5 1.439 6.274 12.076 1.00 0.00 C ATOM 0 H5' U A 5 2.612 10.607 11.912 1.00 0.00 H new ATOM 0 H5'' U A 5 2.199 10.963 13.577 1.00 0.00 H new ATOM 0 H4' U A 5 0.194 10.714 12.221 1.00 0.00 H new ATOM 0 H3' U A 5 0.761 8.653 14.398 1.00 0.00 H new ATOM 0 H2' U A 5 -1.307 7.527 13.849 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.987 10.059 13.166 1.00 0.00 H new ATOM 0 H1' U A 5 -1.219 7.877 11.116 1.00 0.00 H new ATOM 0 H3 U A 5 -0.915 3.415 11.630 1.00 0.00 H new ATOM 0 H5 U A 5 3.010 4.887 12.163 1.00 0.00 H new ATOM 0 H6 U A 5 2.111 7.112 12.193 1.00 0.00 H new ATOM 164 P U A 6 -1.025 9.823 16.108 1.00 0.00 P ATOM 165 OP1 U A 6 -1.277 11.087 16.837 1.00 0.00 O ATOM 166 OP2 U A 6 -0.113 8.815 16.691 1.00 0.00 O ATOM 167 O5' U A 6 -2.456 9.107 15.847 1.00 0.00 O ATOM 168 C5' U A 6 -3.632 9.865 15.595 1.00 0.00 C ATOM 169 C4' U A 6 -4.857 8.930 15.597 1.00 0.00 C ATOM 170 O4' U A 6 -4.792 7.983 14.541 1.00 0.00 O ATOM 171 C3' U A 6 -4.941 8.125 16.881 1.00 0.00 C ATOM 172 O3' U A 6 -5.575 8.856 17.915 1.00 0.00 O ATOM 173 C2' U A 6 -5.768 6.943 16.453 1.00 0.00 C ATOM 174 O2' U A 6 -7.140 7.282 16.490 1.00 0.00 O ATOM 175 C1' U A 6 -5.361 6.749 15.001 1.00 0.00 C ATOM 176 N1 U A 6 -4.361 5.674 14.853 1.00 0.00 N ATOM 177 C2 U A 6 -4.813 4.372 14.706 1.00 0.00 C ATOM 178 O2 U A 6 -6.001 4.073 14.811 1.00 0.00 O ATOM 179 N3 U A 6 -3.845 3.422 14.424 1.00 0.00 N ATOM 180 C4 U A 6 -2.490 3.662 14.261 1.00 0.00 C ATOM 181 O4 U A 6 -1.716 2.742 14.010 1.00 0.00 O ATOM 182 C5 U A 6 -2.119 5.051 14.411 1.00 0.00 C ATOM 183 C6 U A 6 -3.048 5.985 14.702 1.00 0.00 C ATOM 0 H5' U A 6 -3.551 10.373 14.634 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.749 10.637 16.355 1.00 0.00 H new ATOM 0 H4' U A 6 -5.724 9.582 15.486 1.00 0.00 H new ATOM 0 H3' U A 6 -3.969 7.856 17.294 1.00 0.00 H new ATOM 0 H2' U A 6 -5.618 6.066 17.083 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.447 7.302 17.420 1.00 0.00 H new ATOM 0 H1' U A 6 -6.239 6.467 14.420 1.00 0.00 H new ATOM 0 H3 U A 6 -4.159 2.456 14.327 1.00 0.00 H new ATOM 0 H5 U A 6 -1.087 5.344 14.289 1.00 0.00 H new ATOM 0 H6 U A 6 -2.737 7.013 14.819 1.00 0.00 H new ATOM 194 P C A 7 -5.702 8.241 19.395 1.00 0.00 P ATOM 195 OP1 C A 7 -6.342 9.252 20.266 1.00 0.00 O ATOM 196 OP2 C A 7 -4.388 7.673 19.769 1.00 0.00 O ATOM 197 O5' C A 7 -6.742 7.023 19.190 1.00 0.00 O ATOM 198 C5' C A 7 -6.626 5.856 19.967 1.00 0.00 C ATOM 199 C4' C A 7 -7.677 4.815 19.560 1.00 0.00 C ATOM 200 O4' C A 7 -7.555 4.423 18.180 1.00 0.00 O ATOM 201 C3' C A 7 -7.453 3.563 20.382 1.00 0.00 C ATOM 202 O3' C A 7 -8.170 3.599 21.602 1.00 0.00 O ATOM 203 C2' C A 7 -7.963 2.488 19.464 1.00 0.00 C ATOM 204 O2' C A 7 -9.373 2.436 19.516 1.00 0.00 O ATOM 205 C1' C A 7 -7.547 2.984 18.102 1.00 0.00 C ATOM 206 N1 C A 7 -6.189 2.499 17.748 1.00 0.00 N ATOM 207 C2 C A 7 -6.050 1.176 17.333 1.00 0.00 C ATOM 208 O2 C A 7 -7.022 0.423 17.313 1.00 0.00 O ATOM 209 N3 C A 7 -4.812 0.748 16.949 1.00 0.00 N ATOM 210 C4 C A 7 -3.761 1.582 16.963 1.00 0.00 C ATOM 211 N4 C A 7 -2.567 1.126 16.572 1.00 0.00 N ATOM 212 C5 C A 7 -3.903 2.951 17.365 1.00 0.00 C ATOM 213 C6 C A 7 -5.131 3.352 17.742 1.00 0.00 C ATOM 0 H5' C A 7 -6.745 6.104 21.022 1.00 0.00 H new ATOM 0 H5'' C A 7 -5.628 5.435 19.849 1.00 0.00 H new ATOM 0 H4' C A 7 -8.657 5.264 19.721 1.00 0.00 H new ATOM 0 H3' C A 7 -6.416 3.420 20.686 1.00 0.00 H new ATOM 0 H2' C A 7 -7.586 1.497 19.715 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.690 2.936 20.297 1.00 0.00 H new ATOM 0 H1' C A 7 -8.225 2.617 17.332 1.00 0.00 H new ATOM 0 H41 C A 7 -1.758 1.747 16.576 1.00 0.00 H new ATOM 0 H42 C A 7 -2.465 0.157 16.269 1.00 0.00 H new ATOM 0 H5 C A 7 -3.063 3.629 17.365 1.00 0.00 H new ATOM 0 H6 C A 7 -5.279 4.377 18.047 1.00 0.00 H new ATOM 225 P C A 8 -7.752 2.647 22.832 1.00 0.00 P ATOM 226 OP1 C A 8 -8.765 2.800 23.901 1.00 0.00 O ATOM 227 OP2 C A 8 -6.325 2.894 23.133 1.00 0.00 O ATOM 228 O5' C A 8 -7.880 1.162 22.229 1.00 0.00 O ATOM 229 C5' C A 8 -9.136 0.533 22.078 1.00 0.00 C ATOM 230 C4' C A 8 -8.912 -0.864 21.498 1.00 0.00 C ATOM 231 O4' C A 8 -8.301 -0.799 20.212 1.00 0.00 O ATOM 232 C3' C A 8 -7.952 -1.662 22.352 1.00 0.00 C ATOM 233 O3' C A 8 -8.583 -2.242 23.472 1.00 0.00 O ATOM 234 C2' C A 8 -7.497 -2.712 21.377 1.00 0.00 C ATOM 235 O2' C A 8 -8.438 -3.765 21.335 1.00 0.00 O ATOM 236 C1' C A 8 -7.494 -1.975 20.042 1.00 0.00 C ATOM 237 N1 C A 8 -6.094 -1.608 19.721 1.00 0.00 N ATOM 238 C2 C A 8 -5.278 -2.591 19.176 1.00 0.00 C ATOM 239 O2 C A 8 -5.735 -3.703 18.918 1.00 0.00 O ATOM 240 N3 C A 8 -3.968 -2.289 18.946 1.00 0.00 N ATOM 241 C4 C A 8 -3.479 -1.077 19.249 1.00 0.00 C ATOM 242 N4 C A 8 -2.191 -0.818 19.001 1.00 0.00 N ATOM 243 C5 C A 8 -4.305 -0.067 19.839 1.00 0.00 C ATOM 244 C6 C A 8 -5.600 -0.385 20.052 1.00 0.00 C ATOM 0 H5' C A 8 -9.776 1.119 21.418 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.645 0.467 23.040 1.00 0.00 H new ATOM 0 H4' C A 8 -9.897 -1.328 21.453 1.00 0.00 H new ATOM 0 H3' C A 8 -7.150 -1.063 22.783 1.00 0.00 H new ATOM 0 H2' C A 8 -6.531 -3.148 21.633 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.026 -3.709 22.117 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.925 -2.748 23.992 1.00 0.00 H new ATOM 0 H1' C A 8 -7.892 -2.584 19.230 1.00 0.00 H new ATOM 0 H41 C A 8 -1.803 0.098 19.225 1.00 0.00 H new ATOM 0 H42 C A 8 -1.597 -1.537 18.588 1.00 0.00 H new ATOM 0 H5 C A 8 -3.911 0.904 20.101 1.00 0.00 H new ATOM 0 H6 C A 8 -6.258 0.348 20.495 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.759 -8.639 14.965 1.00 0.00 O ATOM 259 C5' G B 9 3.231 -9.941 15.108 1.00 0.00 C ATOM 260 C4' G B 9 1.772 -9.875 15.570 1.00 0.00 C ATOM 261 O4' G B 9 1.655 -9.254 16.849 1.00 0.00 O ATOM 262 C3' G B 9 0.897 -9.045 14.653 1.00 0.00 C ATOM 263 O3' G B 9 0.550 -9.719 13.460 1.00 0.00 O ATOM 264 C2' G B 9 -0.292 -8.843 15.554 1.00 0.00 C ATOM 265 O2' G B 9 -1.038 -10.038 15.639 1.00 0.00 O ATOM 266 C1' G B 9 0.378 -8.594 16.898 1.00 0.00 C ATOM 267 N9 G B 9 0.563 -7.144 17.102 1.00 0.00 N ATOM 268 C8 G B 9 1.694 -6.383 16.952 1.00 0.00 C ATOM 269 N7 G B 9 1.520 -5.118 17.219 1.00 0.00 N ATOM 270 C5 G B 9 0.175 -5.032 17.570 1.00 0.00 C ATOM 271 C6 G B 9 -0.600 -3.902 17.963 1.00 0.00 C ATOM 272 O6 G B 9 -0.240 -2.733 18.080 1.00 0.00 O ATOM 273 N1 G B 9 -1.919 -4.254 18.232 1.00 0.00 N ATOM 274 C2 G B 9 -2.432 -5.530 18.134 1.00 0.00 C ATOM 275 N2 G B 9 -3.728 -5.682 18.421 1.00 0.00 N ATOM 276 N3 G B 9 -1.708 -6.592 17.768 1.00 0.00 N ATOM 277 C4 G B 9 -0.417 -6.270 17.502 1.00 0.00 C ATOM 0 H5' G B 9 3.823 -10.504 15.830 1.00 0.00 H new ATOM 0 H5'' G B 9 3.295 -10.473 14.159 1.00 0.00 H new ATOM 0 H4' G B 9 1.448 -10.916 15.581 1.00 0.00 H new ATOM 0 H3' G B 9 1.366 -8.133 14.284 1.00 0.00 H new ATOM 0 H2' G B 9 -0.968 -8.055 15.222 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.809 -9.901 16.228 1.00 0.00 H new ATOM 0 HO5' G B 9 4.692 -8.695 14.671 1.00 0.00 H new ATOM 0 H1' G B 9 -0.227 -8.974 17.721 1.00 0.00 H new ATOM 0 H8 G B 9 2.643 -6.794 16.641 1.00 0.00 H new ATOM 0 H1 G B 9 -2.555 -3.512 18.524 1.00 0.00 H new ATOM 0 H21 G B 9 -4.158 -6.605 18.364 1.00 0.00 H new ATOM 0 H22 G B 9 -4.287 -4.875 18.697 1.00 0.00 H new ATOM 290 P G B 10 -0.170 -8.928 12.249 1.00 0.00 P ATOM 291 OP1 G B 10 -0.387 -9.885 11.142 1.00 0.00 O ATOM 292 OP2 G B 10 0.596 -7.686 12.005 1.00 0.00 O ATOM 293 O5' G B 10 -1.613 -8.516 12.847 1.00 0.00 O ATOM 294 C5' G B 10 -2.640 -9.475 12.993 1.00 0.00 C ATOM 295 C4' G B 10 -3.927 -8.798 13.479 1.00 0.00 C ATOM 296 O4' G B 10 -3.784 -8.187 14.764 1.00 0.00 O ATOM 297 C3' G B 10 -4.380 -7.688 12.557 1.00 0.00 C ATOM 298 O3' G B 10 -4.994 -8.167 11.376 1.00 0.00 O ATOM 299 C2' G B 10 -5.359 -6.995 13.462 1.00 0.00 C ATOM 300 O2' G B 10 -6.523 -7.781 13.610 1.00 0.00 O ATOM 301 C1' G B 10 -4.600 -6.998 14.772 1.00 0.00 C ATOM 302 N9 G B 10 -3.722 -5.820 14.878 1.00 0.00 N ATOM 303 C8 G B 10 -2.371 -5.756 14.693 1.00 0.00 C ATOM 304 N7 G B 10 -1.857 -4.580 14.920 1.00 0.00 N ATOM 305 C5 G B 10 -2.953 -3.803 15.290 1.00 0.00 C ATOM 306 C6 G B 10 -3.015 -2.432 15.677 1.00 0.00 C ATOM 307 O6 G B 10 -2.096 -1.621 15.759 1.00 0.00 O ATOM 308 N1 G B 10 -4.314 -2.044 15.987 1.00 0.00 N ATOM 309 C2 G B 10 -5.418 -2.869 15.938 1.00 0.00 C ATOM 310 N2 G B 10 -6.593 -2.319 16.267 1.00 0.00 N ATOM 311 N3 G B 10 -5.364 -4.159 15.583 1.00 0.00 N ATOM 312 C4 G B 10 -4.102 -4.557 15.272 1.00 0.00 C ATOM 0 H5' G B 10 -2.333 -10.243 13.703 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.820 -9.975 12.041 1.00 0.00 H new ATOM 0 H4' G B 10 -4.651 -9.612 13.511 1.00 0.00 H new ATOM 0 H3' G B 10 -3.575 -7.062 12.171 1.00 0.00 H new ATOM 0 H2' G B 10 -5.675 -6.014 13.108 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.155 -7.322 14.202 1.00 0.00 H new ATOM 0 H1' G B 10 -5.294 -6.974 15.612 1.00 0.00 H new ATOM 0 H8 G B 10 -1.780 -6.606 14.385 1.00 0.00 H new ATOM 0 H1 G B 10 -4.461 -1.076 16.272 1.00 0.00 H new ATOM 0 H21 G B 10 -7.443 -2.883 16.248 1.00 0.00 H new ATOM 0 H22 G B 10 -6.638 -1.336 16.536 1.00 0.00 H new ATOM 324 P A B 11 -5.261 -7.177 10.128 1.00 0.00 P ATOM 325 OP1 A B 11 -5.990 -7.936 9.087 1.00 0.00 O ATOM 326 OP2 A B 11 -3.982 -6.515 9.791 1.00 0.00 O ATOM 327 O5' A B 11 -6.258 -6.059 10.724 1.00 0.00 O ATOM 328 C5' A B 11 -7.615 -6.353 10.973 1.00 0.00 C ATOM 329 C4' A B 11 -8.324 -5.106 11.509 1.00 0.00 C ATOM 330 O4' A B 11 -7.764 -4.644 12.732 1.00 0.00 O ATOM 331 C3' A B 11 -8.247 -3.942 10.544 1.00 0.00 C ATOM 332 O3' A B 11 -9.188 -4.068 9.496 1.00 0.00 O ATOM 333 C2' A B 11 -8.586 -2.795 11.469 1.00 0.00 C ATOM 334 O2' A B 11 -9.974 -2.791 11.734 1.00 0.00 O ATOM 335 C1' A B 11 -7.870 -3.211 12.758 1.00 0.00 C ATOM 336 N9 A B 11 -6.514 -2.655 12.793 1.00 0.00 N ATOM 337 C8 A B 11 -5.336 -3.297 12.553 1.00 0.00 C ATOM 338 N7 A B 11 -4.280 -2.545 12.700 1.00 0.00 N ATOM 339 C5 A B 11 -4.806 -1.313 13.078 1.00 0.00 C ATOM 340 C6 A B 11 -4.211 -0.083 13.411 1.00 0.00 C ATOM 341 N6 A B 11 -2.889 0.120 13.397 1.00 0.00 N ATOM 342 N1 A B 11 -5.026 0.927 13.770 1.00 0.00 N ATOM 343 C2 A B 11 -6.340 0.724 13.789 1.00 0.00 C ATOM 344 N3 A B 11 -7.017 -0.378 13.497 1.00 0.00 N ATOM 345 C4 A B 11 -6.171 -1.374 13.144 1.00 0.00 C ATOM 0 H5' A B 11 -7.694 -7.166 11.694 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.098 -6.692 10.056 1.00 0.00 H new ATOM 0 H4' A B 11 -9.356 -5.424 11.654 1.00 0.00 H new ATOM 0 H3' A B 11 -7.292 -3.841 10.028 1.00 0.00 H new ATOM 0 H2' A B 11 -8.310 -1.818 11.072 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.422 -3.429 11.141 1.00 0.00 H new ATOM 0 H1' A B 11 -8.422 -2.851 13.626 1.00 0.00 H new ATOM 0 H8 A B 11 -5.281 -4.337 12.266 1.00 0.00 H new ATOM 0 H61 A B 11 -2.511 1.033 13.648 1.00 0.00 H new ATOM 0 H62 A B 11 -2.259 -0.639 13.135 1.00 0.00 H new ATOM 0 H2 A B 11 -6.938 1.574 14.083 1.00 0.00 H new ATOM 357 P G B 12 -9.058 -3.180 8.158 1.00 0.00 P ATOM 358 OP1 G B 12 -10.253 -3.430 7.322 1.00 0.00 O ATOM 359 OP2 G B 12 -7.708 -3.403 7.594 1.00 0.00 O ATOM 360 O5' G B 12 -9.128 -1.666 8.695 1.00 0.00 O ATOM 361 C5' G B 12 -10.345 -1.096 9.129 1.00 0.00 C ATOM 362 C4' G B 12 -10.099 0.338 9.535 1.00 0.00 C ATOM 363 O4' G B 12 -9.229 0.405 10.650 1.00 0.00 O ATOM 364 C3' G B 12 -9.407 1.112 8.462 1.00 0.00 C ATOM 365 O3' G B 12 -10.279 1.452 7.400 1.00 0.00 O ATOM 366 C2' G B 12 -9.015 2.311 9.279 1.00 0.00 C ATOM 367 O2' G B 12 -10.157 3.100 9.546 1.00 0.00 O ATOM 368 C1' G B 12 -8.568 1.662 10.579 1.00 0.00 C ATOM 369 N9 G B 12 -7.106 1.477 10.604 1.00 0.00 N ATOM 370 C8 G B 12 -6.373 0.340 10.388 1.00 0.00 C ATOM 371 N7 G B 12 -5.085 0.505 10.534 1.00 0.00 N ATOM 372 C5 G B 12 -4.955 1.853 10.868 1.00 0.00 C ATOM 373 C6 G B 12 -3.788 2.628 11.156 1.00 0.00 C ATOM 374 O6 G B 12 -2.609 2.272 11.176 1.00 0.00 O ATOM 375 N1 G B 12 -4.114 3.946 11.437 1.00 0.00 N ATOM 376 C2 G B 12 -5.387 4.467 11.450 1.00 0.00 C ATOM 377 N2 G B 12 -5.500 5.767 11.744 1.00 0.00 N ATOM 378 N3 G B 12 -6.481 3.748 11.191 1.00 0.00 N ATOM 379 C4 G B 12 -6.191 2.453 10.907 1.00 0.00 C ATOM 0 H5' G B 12 -10.747 -1.662 9.970 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.087 -1.140 8.332 1.00 0.00 H new ATOM 0 H4' G B 12 -11.084 0.751 9.750 1.00 0.00 H new ATOM 0 H3' G B 12 -8.593 0.596 7.953 1.00 0.00 H new ATOM 0 H2' G B 12 -8.273 2.949 8.800 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.869 2.869 8.914 1.00 0.00 H new ATOM 0 H1' G B 12 -8.820 2.292 11.432 1.00 0.00 H new ATOM 0 H8 G B 12 -6.819 -0.607 10.121 1.00 0.00 H new ATOM 0 H1 G B 12 -3.346 4.582 11.652 1.00 0.00 H new ATOM 0 H21 G B 12 -6.420 6.206 11.768 1.00 0.00 H new ATOM 0 H22 G B 12 -4.666 6.319 11.944 1.00 0.00 H new ATOM 391 P U B 13 -9.704 1.952 5.981 1.00 0.00 P ATOM 392 OP1 U B 13 -10.837 2.454 5.172 1.00 0.00 O ATOM 393 OP2 U B 13 -8.835 0.883 5.442 1.00 0.00 O ATOM 394 O5' U B 13 -8.769 3.201 6.367 1.00 0.00 O ATOM 395 C5' U B 13 -9.316 4.448 6.740 1.00 0.00 C ATOM 396 C4' U B 13 -8.167 5.406 7.068 1.00 0.00 C ATOM 397 O4' U B 13 -7.381 4.935 8.160 1.00 0.00 O ATOM 398 C3' U B 13 -7.216 5.532 5.891 1.00 0.00 C ATOM 399 O3' U B 13 -7.664 6.478 4.928 1.00 0.00 O ATOM 400 C2' U B 13 -5.957 5.969 6.565 1.00 0.00 C ATOM 401 O2' U B 13 -5.992 7.361 6.794 1.00 0.00 O ATOM 402 C1' U B 13 -6.007 5.250 7.897 1.00 0.00 C ATOM 403 N1 U B 13 -5.194 4.013 7.879 1.00 0.00 N ATOM 404 C2 U B 13 -3.841 4.132 8.164 1.00 0.00 C ATOM 405 O2 U B 13 -3.319 5.219 8.396 1.00 0.00 O ATOM 406 N3 U B 13 -3.108 2.953 8.172 1.00 0.00 N ATOM 407 C4 U B 13 -3.621 1.680 7.959 1.00 0.00 C ATOM 408 O4 U B 13 -2.885 0.697 7.980 1.00 0.00 O ATOM 409 C5 U B 13 -5.053 1.654 7.729 1.00 0.00 C ATOM 410 C6 U B 13 -5.770 2.790 7.694 1.00 0.00 C ATOM 0 H5' U B 13 -9.970 4.331 7.604 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.926 4.851 5.931 1.00 0.00 H new ATOM 0 H4' U B 13 -8.634 6.360 7.312 1.00 0.00 H new ATOM 0 H3' U B 13 -7.113 4.613 5.314 1.00 0.00 H new ATOM 0 H2' U B 13 -5.064 5.752 5.979 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.594 7.784 6.146 1.00 0.00 H new ATOM 0 H1' U B 13 -5.593 5.889 8.677 1.00 0.00 H new ATOM 0 H3 U B 13 -2.106 3.028 8.350 1.00 0.00 H new ATOM 0 H5 U B 13 -5.551 0.707 7.584 1.00 0.00 H new ATOM 0 H6 U B 13 -6.833 2.733 7.514 1.00 0.00 H new ATOM 421 P U B 14 -6.938 6.611 3.482 1.00 0.00 P ATOM 422 OP1 U B 14 -7.793 7.457 2.621 1.00 0.00 O ATOM 423 OP2 U B 14 -6.573 5.249 3.037 1.00 0.00 O ATOM 424 O5' U B 14 -5.564 7.425 3.769 1.00 0.00 O ATOM 425 C5' U B 14 -5.538 8.846 3.804 1.00 0.00 C ATOM 426 C4' U B 14 -4.080 9.337 3.887 1.00 0.00 C ATOM 427 O4' U B 14 -3.451 8.922 5.093 1.00 0.00 O ATOM 428 C3' U B 14 -3.222 8.781 2.763 1.00 0.00 C ATOM 429 O3' U B 14 -3.374 9.488 1.548 1.00 0.00 O ATOM 430 C2' U B 14 -1.853 8.992 3.346 1.00 0.00 C ATOM 431 O2' U B 14 -1.495 10.356 3.256 1.00 0.00 O ATOM 432 C1' U B 14 -2.072 8.646 4.801 1.00 0.00 C ATOM 433 N1 U B 14 -1.786 7.218 5.048 1.00 0.00 N ATOM 434 C2 U B 14 -0.464 6.826 5.193 1.00 0.00 C ATOM 435 O2 U B 14 0.473 7.611 5.065 1.00 0.00 O ATOM 436 N3 U B 14 -0.258 5.490 5.496 1.00 0.00 N ATOM 437 C4 U B 14 -1.244 4.532 5.674 1.00 0.00 C ATOM 438 O4 U B 14 -0.950 3.370 5.936 1.00 0.00 O ATOM 439 C5 U B 14 -2.587 5.041 5.523 1.00 0.00 C ATOM 440 C6 U B 14 -2.804 6.338 5.218 1.00 0.00 C ATOM 0 H5' U B 14 -6.103 9.209 4.662 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.018 9.250 2.913 1.00 0.00 H new ATOM 0 H4' U B 14 -4.147 10.423 3.826 1.00 0.00 H new ATOM 0 H3' U B 14 -3.466 7.754 2.489 1.00 0.00 H new ATOM 0 H2' U B 14 -1.074 8.413 2.850 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.123 10.821 2.664 1.00 0.00 H new ATOM 0 H1' U B 14 -1.406 9.231 5.435 1.00 0.00 H new ATOM 0 H3 U B 14 0.709 5.183 5.598 1.00 0.00 H new ATOM 0 H5 U B 14 -3.428 4.376 5.656 1.00 0.00 H new ATOM 0 H6 U B 14 -3.820 6.686 5.106 1.00 0.00 H new ATOM 451 P C B 15 -2.786 8.888 0.166 1.00 0.00 P ATOM 452 OP1 C B 15 -3.006 9.890 -0.900 1.00 0.00 O ATOM 453 OP2 C B 15 -3.324 7.519 0.005 1.00 0.00 O ATOM 454 O5' C B 15 -1.192 8.767 0.421 1.00 0.00 O ATOM 455 C5' C B 15 -0.346 9.899 0.348 1.00 0.00 C ATOM 456 C4' C B 15 1.117 9.464 0.519 1.00 0.00 C ATOM 457 O4' C B 15 1.362 8.863 1.797 1.00 0.00 O ATOM 458 C3' C B 15 1.515 8.413 -0.497 1.00 0.00 C ATOM 459 O3' C B 15 1.792 8.968 -1.769 1.00 0.00 O ATOM 460 C2' C B 15 2.756 7.865 0.160 1.00 0.00 C ATOM 461 O2' C B 15 3.828 8.767 -0.017 1.00 0.00 O ATOM 462 C1' C B 15 2.380 7.853 1.629 1.00 0.00 C ATOM 463 N1 C B 15 1.865 6.520 2.037 1.00 0.00 N ATOM 464 C2 C B 15 2.798 5.540 2.367 1.00 0.00 C ATOM 465 O2 C B 15 4.002 5.771 2.276 1.00 0.00 O ATOM 466 N3 C B 15 2.339 4.329 2.792 1.00 0.00 N ATOM 467 C4 C B 15 1.024 4.087 2.891 1.00 0.00 C ATOM 468 N4 C B 15 0.619 2.887 3.320 1.00 0.00 N ATOM 469 C5 C B 15 0.055 5.090 2.560 1.00 0.00 C ATOM 470 C6 C B 15 0.526 6.282 2.143 1.00 0.00 C ATOM 0 H5' C B 15 -0.615 10.617 1.123 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.476 10.401 -0.611 1.00 0.00 H new ATOM 0 H4' C B 15 1.691 10.382 0.398 1.00 0.00 H new ATOM 0 H3' C B 15 0.742 7.675 -0.709 1.00 0.00 H new ATOM 0 H2' C B 15 3.060 6.896 -0.237 1.00 0.00 H new ATOM 0 HO2' C B 15 3.557 9.481 -0.631 1.00 0.00 H new ATOM 0 H1' C B 15 3.249 8.058 2.254 1.00 0.00 H new ATOM 0 H41 C B 15 -0.377 2.684 3.402 1.00 0.00 H new ATOM 0 H42 C B 15 1.306 2.174 3.565 1.00 0.00 H new ATOM 0 H5 C B 15 -1.005 4.899 2.641 1.00 0.00 H new ATOM 0 H6 C B 15 -0.172 7.066 1.887 1.00 0.00 H new ATOM 482 P C B 16 1.973 8.018 -3.063 1.00 0.00 P ATOM 483 OP1 C B 16 2.326 8.873 -4.219 1.00 0.00 O ATOM 484 OP2 C B 16 0.794 7.128 -3.142 1.00 0.00 O ATOM 485 O5' C B 16 3.255 7.113 -2.700 1.00 0.00 O ATOM 486 C5' C B 16 4.567 7.630 -2.793 1.00 0.00 C ATOM 487 C4' C B 16 5.558 6.554 -2.341 1.00 0.00 C ATOM 488 O4' C B 16 5.315 6.149 -0.997 1.00 0.00 O ATOM 489 C3' C B 16 5.421 5.288 -3.156 1.00 0.00 C ATOM 490 O3' C B 16 6.048 5.385 -4.417 1.00 0.00 O ATOM 491 C2' C B 16 6.125 4.301 -2.261 1.00 0.00 C ATOM 492 O2' C B 16 7.520 4.401 -2.450 1.00 0.00 O ATOM 493 C1' C B 16 5.766 4.790 -0.858 1.00 0.00 C ATOM 494 N1 C B 16 4.682 3.929 -0.324 1.00 0.00 N ATOM 495 C2 C B 16 5.045 2.737 0.295 1.00 0.00 C ATOM 496 O2 C B 16 6.230 2.455 0.451 1.00 0.00 O ATOM 497 N3 C B 16 4.053 1.899 0.711 1.00 0.00 N ATOM 498 C4 C B 16 2.763 2.212 0.524 1.00 0.00 C ATOM 499 N4 C B 16 1.822 1.364 0.950 1.00 0.00 N ATOM 500 C5 C B 16 2.379 3.429 -0.127 1.00 0.00 C ATOM 501 C6 C B 16 3.374 4.247 -0.529 1.00 0.00 C ATOM 0 H5' C B 16 4.667 8.519 -2.171 1.00 0.00 H new ATOM 0 H5'' C B 16 4.781 7.933 -3.818 1.00 0.00 H new ATOM 0 H4' C B 16 6.542 7.008 -2.459 1.00 0.00 H new ATOM 0 H3' C B 16 4.391 5.030 -3.402 1.00 0.00 H new ATOM 0 H2' C B 16 5.841 3.265 -2.449 1.00 0.00 H new ATOM 0 HO2' C B 16 7.704 4.774 -3.337 1.00 0.00 H new ATOM 0 HO3' C B 16 5.934 4.543 -4.905 1.00 0.00 H new ATOM 0 H1' C B 16 6.613 4.743 -0.173 1.00 0.00 H new ATOM 0 H41 C B 16 0.836 1.587 0.816 1.00 0.00 H new ATOM 0 H42 C B 16 2.090 0.494 1.410 1.00 0.00 H new ATOM 0 H5 C B 16 1.341 3.680 -0.289 1.00 0.00 H new ATOM 0 H6 C B 16 3.127 5.175 -1.024 1.00 0.00 H new TER 514 C B 16