USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -150:sc= -1.24 USER MOD Single : A 1 G O5' : rot 1:sc= -0.941! USER MOD Single : A 2 G O2' : rot -23:sc= 0.16 USER MOD Single : A 3 A O2' : rot 180:sc= -2.08! USER MOD Single : A 4 G O2' : rot -68:sc= 0.717 USER MOD Single : A 5 A O2' : rot -26:sc= 0.175 USER MOD Single : A 6 G O2' : rot -21:sc= 0.141 USER MOD Single : A 7 H2U O2' : rot -42:sc= -1.31! USER MOD Single : A 8 G O2' : rot -20:sc= 0.176 USER MOD Single : A 9 G O2' : rot -73:sc= 0.922 USER MOD Single : A 10 A O2' : rot -25:sc= 0.298 USER MOD Single : A 11 A O2' : rot -0:sc= -1.71! USER MOD Single : A 12 C O2' : rot -23:sc= 0.133 USER MOD Single : A 13 U O2' : rot 4:sc= -0.77 USER MOD Single : A 14 C O2' : rot 180:sc= -0.432 USER MOD Single : A 15 C O2' : rot -26:sc= 0.156 USER MOD Single : A 15 C O3' : rot 180:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 23.624 17.718 19.673 1.00 0.00 O ATOM 2 C5' G A 1 23.155 17.739 18.323 1.00 0.00 C ATOM 3 C4' G A 1 22.116 18.832 18.098 1.00 0.00 C ATOM 4 O4' G A 1 20.980 18.626 18.941 1.00 0.00 O ATOM 5 C3' G A 1 22.700 20.207 18.407 1.00 0.00 C ATOM 6 O3' G A 1 23.272 20.811 17.244 1.00 0.00 O ATOM 7 C2' G A 1 21.466 20.961 18.891 1.00 0.00 C ATOM 8 O2' G A 1 20.709 21.504 17.806 1.00 0.00 O ATOM 9 C1' G A 1 20.695 19.858 19.610 1.00 0.00 C ATOM 10 N9 G A 1 21.093 19.784 21.028 1.00 0.00 N ATOM 11 C8 G A 1 21.907 18.870 21.646 1.00 0.00 C ATOM 12 N7 G A 1 22.087 19.082 22.919 1.00 0.00 N ATOM 13 C5 G A 1 21.331 20.224 23.162 1.00 0.00 C ATOM 14 C6 G A 1 21.140 20.934 24.376 1.00 0.00 C ATOM 15 O6 G A 1 21.603 20.685 25.486 1.00 0.00 O ATOM 16 N1 G A 1 20.312 22.034 24.203 1.00 0.00 N ATOM 17 C2 G A 1 19.733 22.405 23.005 1.00 0.00 C ATOM 18 N2 G A 1 18.967 23.496 23.029 1.00 0.00 N ATOM 19 N3 G A 1 19.906 21.733 21.860 1.00 0.00 N ATOM 20 C4 G A 1 20.719 20.661 22.017 1.00 0.00 C ATOM 0 H5' G A 1 22.722 16.770 18.074 1.00 0.00 H new ATOM 0 H5'' G A 1 23.997 17.895 17.649 1.00 0.00 H new ATOM 0 H4' G A 1 21.816 18.787 17.051 1.00 0.00 H new ATOM 0 H3' G A 1 23.517 20.191 19.128 1.00 0.00 H new ATOM 0 H2' G A 1 21.698 21.824 19.514 1.00 0.00 H new ATOM 0 HO2' G A 1 20.255 22.321 18.101 1.00 0.00 H new ATOM 0 HO5' G A 1 23.167 18.414 20.189 1.00 0.00 H new ATOM 0 H1' G A 1 19.625 20.065 19.585 1.00 0.00 H new ATOM 0 H8 G A 1 22.361 18.043 21.121 1.00 0.00 H new ATOM 0 H1 G A 1 20.116 22.611 25.021 1.00 0.00 H new ATOM 0 H21 G A 1 18.513 23.819 22.175 1.00 0.00 H new ATOM 0 H22 G A 1 18.835 24.008 23.902 1.00 0.00 H new ATOM 33 P G A 2 24.463 21.886 17.387 1.00 0.00 P ATOM 34 OP1 G A 2 24.717 22.489 16.060 1.00 0.00 O ATOM 35 OP2 G A 2 25.585 21.247 18.108 1.00 0.00 O ATOM 36 O5' G A 2 23.802 23.002 18.342 1.00 0.00 O ATOM 37 C5' G A 2 22.747 23.840 17.862 1.00 0.00 C ATOM 38 C4' G A 2 22.098 24.640 18.987 1.00 0.00 C ATOM 39 O4' G A 2 21.668 23.779 20.044 1.00 0.00 O ATOM 40 C3' G A 2 23.091 25.640 19.568 1.00 0.00 C ATOM 41 O3' G A 2 23.070 26.875 18.849 1.00 0.00 O ATOM 42 C2' G A 2 22.572 25.790 20.995 1.00 0.00 C ATOM 43 O2' G A 2 21.572 26.808 21.089 1.00 0.00 O ATOM 44 C1' G A 2 22.000 24.406 21.286 1.00 0.00 C ATOM 45 N9 G A 2 22.973 23.602 22.048 1.00 0.00 N ATOM 46 C8 G A 2 23.524 22.386 21.735 1.00 0.00 C ATOM 47 N7 G A 2 24.385 21.943 22.608 1.00 0.00 N ATOM 48 C5 G A 2 24.407 22.942 23.576 1.00 0.00 C ATOM 49 C6 G A 2 25.163 23.023 24.774 1.00 0.00 C ATOM 50 O6 G A 2 25.969 22.216 25.232 1.00 0.00 O ATOM 51 N1 G A 2 24.893 24.195 25.467 1.00 0.00 N ATOM 52 C2 G A 2 24.012 25.176 25.057 1.00 0.00 C ATOM 53 N2 G A 2 23.875 26.229 25.861 1.00 0.00 N ATOM 54 N3 G A 2 23.296 25.098 23.927 1.00 0.00 N ATOM 55 C4 G A 2 23.551 23.958 23.243 1.00 0.00 C ATOM 0 H5' G A 2 21.992 23.227 17.370 1.00 0.00 H new ATOM 0 H5'' G A 2 23.141 24.524 17.110 1.00 0.00 H new ATOM 0 H4' G A 2 21.239 25.161 18.563 1.00 0.00 H new ATOM 0 H3' G A 2 24.133 25.323 19.515 1.00 0.00 H new ATOM 0 H2' G A 2 23.340 26.097 21.705 1.00 0.00 H new ATOM 0 HO2' G A 2 21.679 27.441 20.349 1.00 0.00 H new ATOM 0 H1' G A 2 21.100 24.492 21.894 1.00 0.00 H new ATOM 0 H8 G A 2 23.266 21.840 20.839 1.00 0.00 H new ATOM 0 H1 G A 2 25.384 24.343 26.349 1.00 0.00 H new ATOM 0 H21 G A 2 23.238 26.984 25.608 1.00 0.00 H new ATOM 0 H22 G A 2 24.407 26.280 26.729 1.00 0.00 H new ATOM 67 P A A 3 24.427 27.706 18.601 1.00 0.00 P ATOM 68 OP1 A A 3 24.299 28.461 17.335 1.00 0.00 O ATOM 69 OP2 A A 3 25.574 26.787 18.771 1.00 0.00 O ATOM 70 O5' A A 3 24.425 28.743 19.834 1.00 0.00 O ATOM 71 C5' A A 3 23.584 29.900 19.819 1.00 0.00 C ATOM 72 C4' A A 3 23.401 30.507 21.206 1.00 0.00 C ATOM 73 O4' A A 3 22.940 29.523 22.135 1.00 0.00 O ATOM 74 C3' A A 3 24.708 31.081 21.744 1.00 0.00 C ATOM 75 O3' A A 3 24.926 32.429 21.322 1.00 0.00 O ATOM 76 C2' A A 3 24.473 30.976 23.247 1.00 0.00 C ATOM 77 O2' A A 3 23.675 32.056 23.741 1.00 0.00 O ATOM 78 C1' A A 3 23.723 29.651 23.326 1.00 0.00 C ATOM 79 N9 A A 3 24.674 28.531 23.449 1.00 0.00 N ATOM 80 C8 A A 3 25.005 27.554 22.545 1.00 0.00 C ATOM 81 N7 A A 3 25.905 26.708 22.959 1.00 0.00 N ATOM 82 C5 A A 3 26.204 27.166 24.239 1.00 0.00 C ATOM 83 C6 A A 3 27.091 26.724 25.234 1.00 0.00 C ATOM 84 N6 A A 3 27.887 25.665 25.087 1.00 0.00 N ATOM 85 N1 A A 3 27.127 27.416 26.379 1.00 0.00 N ATOM 86 C2 A A 3 26.351 28.474 26.554 1.00 0.00 C ATOM 87 N3 A A 3 25.480 28.986 25.699 1.00 0.00 N ATOM 88 C4 A A 3 25.459 28.273 24.547 1.00 0.00 C ATOM 0 H5' A A 3 22.609 29.631 19.412 1.00 0.00 H new ATOM 0 H5'' A A 3 24.013 30.648 19.152 1.00 0.00 H new ATOM 0 H4' A A 3 22.666 31.305 21.101 1.00 0.00 H new ATOM 0 H3' A A 3 25.601 30.563 21.393 1.00 0.00 H new ATOM 0 H2' A A 3 25.383 31.022 23.845 1.00 0.00 H new ATOM 0 HO2' A A 3 23.546 31.952 24.707 1.00 0.00 H new ATOM 0 H1' A A 3 23.077 29.629 24.203 1.00 0.00 H new ATOM 0 H8 A A 3 24.554 27.491 21.566 1.00 0.00 H new ATOM 0 H61 A A 3 28.513 25.388 25.844 1.00 0.00 H new ATOM 0 H62 A A 3 27.871 25.131 24.218 1.00 0.00 H new ATOM 0 H2 A A 3 26.439 28.978 27.505 1.00 0.00 H new ATOM 100 P G A 4 26.420 33.027 21.271 1.00 0.00 P ATOM 101 OP1 G A 4 26.350 34.472 20.956 1.00 0.00 O ATOM 102 OP2 G A 4 27.246 32.142 20.420 1.00 0.00 O ATOM 103 O5' G A 4 26.893 32.846 22.800 1.00 0.00 O ATOM 104 C5' G A 4 26.301 33.626 23.842 1.00 0.00 C ATOM 105 C4' G A 4 26.991 33.407 25.184 1.00 0.00 C ATOM 106 O4' G A 4 26.819 32.064 25.645 1.00 0.00 O ATOM 107 C3' G A 4 28.491 33.660 25.073 1.00 0.00 C ATOM 108 O3' G A 4 28.811 35.045 25.225 1.00 0.00 O ATOM 109 C2' G A 4 29.024 32.819 26.228 1.00 0.00 C ATOM 110 O2' G A 4 29.054 33.568 27.446 1.00 0.00 O ATOM 111 C1' G A 4 28.028 31.666 26.297 1.00 0.00 C ATOM 112 N9 G A 4 28.587 30.456 25.664 1.00 0.00 N ATOM 113 C8 G A 4 28.486 30.045 24.360 1.00 0.00 C ATOM 114 N7 G A 4 29.108 28.929 24.100 1.00 0.00 N ATOM 115 C5 G A 4 29.663 28.579 25.326 1.00 0.00 C ATOM 116 C6 G A 4 30.457 27.453 25.666 1.00 0.00 C ATOM 117 O6 G A 4 30.823 26.529 24.943 1.00 0.00 O ATOM 118 N1 G A 4 30.817 27.465 27.007 1.00 0.00 N ATOM 119 C2 G A 4 30.455 28.443 27.914 1.00 0.00 C ATOM 120 N2 G A 4 30.888 28.285 29.165 1.00 0.00 N ATOM 121 N3 G A 4 29.702 29.503 27.598 1.00 0.00 N ATOM 122 C4 G A 4 29.350 29.501 26.291 1.00 0.00 C ATOM 0 H5' G A 4 25.245 33.369 23.931 1.00 0.00 H new ATOM 0 H5'' G A 4 26.351 34.682 23.577 1.00 0.00 H new ATOM 0 H4' G A 4 26.535 34.106 25.885 1.00 0.00 H new ATOM 0 H3' G A 4 28.916 33.400 24.103 1.00 0.00 H new ATOM 0 H2' G A 4 30.051 32.485 26.082 1.00 0.00 H new ATOM 0 HO2' G A 4 29.735 34.270 27.382 1.00 0.00 H new ATOM 0 H1' G A 4 27.819 31.426 27.339 1.00 0.00 H new ATOM 0 H8 G A 4 27.938 30.598 23.612 1.00 0.00 H new ATOM 0 H1 G A 4 31.392 26.694 27.348 1.00 0.00 H new ATOM 0 H21 G A 4 30.652 28.976 29.878 1.00 0.00 H new ATOM 0 H22 G A 4 31.456 27.474 29.410 1.00 0.00 H new ATOM 134 P A A 5 30.307 35.572 24.944 1.00 0.00 P ATOM 135 OP1 A A 5 30.269 37.051 24.915 1.00 0.00 O ATOM 136 OP2 A A 5 30.864 34.842 23.783 1.00 0.00 O ATOM 137 O5' A A 5 31.084 35.087 26.268 1.00 0.00 O ATOM 138 C5' A A 5 32.422 34.586 26.199 1.00 0.00 C ATOM 139 C4' A A 5 32.927 34.136 27.566 1.00 0.00 C ATOM 140 O4' A A 5 32.157 33.031 28.045 1.00 0.00 O ATOM 141 C3' A A 5 34.387 33.700 27.494 1.00 0.00 C ATOM 142 O3' A A 5 35.271 34.799 27.732 1.00 0.00 O ATOM 143 C2' A A 5 34.445 32.660 28.608 1.00 0.00 C ATOM 144 O2' A A 5 34.675 33.283 29.875 1.00 0.00 O ATOM 145 C1' A A 5 33.061 32.027 28.511 1.00 0.00 C ATOM 146 N9 A A 5 33.081 30.876 27.587 1.00 0.00 N ATOM 147 C8 A A 5 32.391 30.697 26.416 1.00 0.00 C ATOM 148 N7 A A 5 32.630 29.567 25.811 1.00 0.00 N ATOM 149 C5 A A 5 33.547 28.945 26.652 1.00 0.00 C ATOM 150 C6 A A 5 34.211 27.710 26.595 1.00 0.00 C ATOM 151 N6 A A 5 34.033 26.824 25.615 1.00 0.00 N ATOM 152 N1 A A 5 35.055 27.417 27.594 1.00 0.00 N ATOM 153 C2 A A 5 35.245 28.268 28.590 1.00 0.00 C ATOM 154 N3 A A 5 34.680 29.454 28.753 1.00 0.00 N ATOM 155 C4 A A 5 33.832 29.736 27.734 1.00 0.00 C ATOM 0 H5' A A 5 33.080 35.360 25.804 1.00 0.00 H new ATOM 0 H5'' A A 5 32.462 33.748 25.503 1.00 0.00 H new ATOM 0 H4' A A 5 32.830 34.985 28.242 1.00 0.00 H new ATOM 0 H3' A A 5 34.697 33.317 26.522 1.00 0.00 H new ATOM 0 H2' A A 5 35.254 31.936 28.513 1.00 0.00 H new ATOM 0 HO2' A A 5 35.141 34.134 29.741 1.00 0.00 H new ATOM 0 H1' A A 5 32.744 31.656 29.486 1.00 0.00 H new ATOM 0 H8 A A 5 31.704 31.433 26.026 1.00 0.00 H new ATOM 0 H61 A A 5 34.544 25.941 25.626 1.00 0.00 H new ATOM 0 H62 A A 5 33.386 27.029 24.854 1.00 0.00 H new ATOM 0 H2 A A 5 35.940 27.960 29.357 1.00 0.00 H new ATOM 167 P G A 6 35.743 35.754 26.524 1.00 0.00 P ATOM 168 OP1 G A 6 37.014 36.408 26.905 1.00 0.00 O ATOM 169 OP2 G A 6 34.601 36.593 26.096 1.00 0.00 O ATOM 170 O5' G A 6 36.045 34.683 25.360 1.00 0.00 O ATOM 171 C5' G A 6 37.343 34.114 25.179 1.00 0.00 C ATOM 172 C4' G A 6 38.062 33.841 26.497 1.00 0.00 C ATOM 173 O4' G A 6 37.305 32.950 27.319 1.00 0.00 O ATOM 174 C3' G A 6 39.423 33.196 26.254 1.00 0.00 C ATOM 175 O3' G A 6 40.456 34.163 26.050 1.00 0.00 O ATOM 176 C2' G A 6 39.624 32.419 27.551 1.00 0.00 C ATOM 177 O2' G A 6 40.154 33.248 28.588 1.00 0.00 O ATOM 178 C1' G A 6 38.198 31.980 27.870 1.00 0.00 C ATOM 179 N9 G A 6 37.924 30.642 27.312 1.00 0.00 N ATOM 180 C8 G A 6 37.167 30.298 26.222 1.00 0.00 C ATOM 181 N7 G A 6 37.146 29.022 25.955 1.00 0.00 N ATOM 182 C5 G A 6 37.954 28.476 26.947 1.00 0.00 C ATOM 183 C6 G A 6 38.312 27.123 27.177 1.00 0.00 C ATOM 184 O6 G A 6 37.976 26.124 26.544 1.00 0.00 O ATOM 185 N1 G A 6 39.145 26.991 28.279 1.00 0.00 N ATOM 186 C2 G A 6 39.582 28.038 29.067 1.00 0.00 C ATOM 187 N2 G A 6 40.394 27.721 30.076 1.00 0.00 N ATOM 188 N3 G A 6 39.244 29.316 28.855 1.00 0.00 N ATOM 189 C4 G A 6 38.429 29.454 27.781 1.00 0.00 C ATOM 0 H5' G A 6 37.949 34.789 24.574 1.00 0.00 H new ATOM 0 H5'' G A 6 37.251 33.182 24.622 1.00 0.00 H new ATOM 0 H4' G A 6 38.183 34.804 26.994 1.00 0.00 H new ATOM 0 H3' G A 6 39.462 32.583 25.353 1.00 0.00 H new ATOM 0 H2' G A 6 40.336 31.598 27.465 1.00 0.00 H new ATOM 0 HO2' G A 6 40.588 34.032 28.191 1.00 0.00 H new ATOM 0 H1' G A 6 38.060 31.914 28.949 1.00 0.00 H new ATOM 0 H8 G A 6 36.631 31.026 25.631 1.00 0.00 H new ATOM 0 H1 G A 6 39.458 26.052 28.525 1.00 0.00 H new ATOM 0 H21 G A 6 40.750 28.451 30.693 1.00 0.00 H new ATOM 0 H22 G A 6 40.659 26.748 30.231 1.00 0.00 H new HETATM 201 P H2U A 7 41.940 33.703 25.627 1.00 0.00 P HETATM 202 OP1 H2U A 7 42.543 32.943 26.745 1.00 0.00 O HETATM 203 OP2 H2U A 7 42.660 34.878 25.085 1.00 0.00 O HETATM 204 O5' H2U A 7 41.642 32.686 24.415 1.00 0.00 O HETATM 205 C5' H2U A 7 42.607 31.702 24.034 1.00 0.00 C HETATM 206 C4' H2U A 7 42.826 30.652 25.117 1.00 0.00 C HETATM 207 O4' H2U A 7 41.603 29.976 25.419 1.00 0.00 O HETATM 208 C3' H2U A 7 43.849 29.617 24.659 1.00 0.00 C HETATM 209 O3' H2U A 7 44.656 29.179 25.755 1.00 0.00 O HETATM 210 C1' H2U A 7 41.754 28.598 25.067 1.00 0.00 C HETATM 211 C2' H2U A 7 42.956 28.499 24.133 1.00 0.00 C HETATM 212 O2' H2U A 7 43.603 27.226 24.217 1.00 0.00 O HETATM 213 N1 H2U A 7 40.533 28.078 24.422 1.00 0.00 N HETATM 214 C2 H2U A 7 40.160 26.774 24.692 1.00 0.00 C HETATM 215 O2 H2U A 7 40.727 26.096 25.544 1.00 0.00 O HETATM 216 N3 H2U A 7 39.145 26.251 23.902 1.00 0.00 N HETATM 217 C4 H2U A 7 38.530 26.918 22.851 1.00 0.00 C HETATM 218 O4 H2U A 7 37.531 26.454 22.308 1.00 0.00 O HETATM 219 C5 H2U A 7 39.160 28.203 22.376 1.00 0.00 C HETATM 220 C6 H2U A 7 39.733 28.960 23.569 1.00 0.00 C HETATM 0 HO2' H2U A 7 44.540 27.317 23.944 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.279 31.212 23.117 1.00 0.00 H new HETATM 0 HN3 H2U A 7 38.827 25.304 24.110 1.00 0.00 H new HETATM 0 H62 H2U A 7 38.921 29.395 24.151 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.350 29.787 23.216 1.00 0.00 H new HETATM 0 H52 H2U A 7 39.949 27.989 21.655 1.00 0.00 H new HETATM 0 H51 H2U A 7 38.418 28.817 21.865 1.00 0.00 H new HETATM 0 H5' H2U A 7 43.554 32.193 23.811 1.00 0.00 H new HETATM 0 H4' H2U A 7 43.191 31.166 26.006 1.00 0.00 H new HETATM 0 H3' H2U A 7 44.558 29.987 23.919 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.696 28.594 23.079 1.00 0.00 H new HETATM 0 H1' H2U A 7 41.915 27.992 25.958 1.00 0.00 H new ATOM 233 P G A 8 46.217 28.841 25.560 1.00 0.00 P ATOM 234 OP1 G A 8 46.739 28.286 26.830 1.00 0.00 O ATOM 235 OP2 G A 8 46.881 30.024 24.969 1.00 0.00 O ATOM 236 O5' G A 8 46.178 27.662 24.463 1.00 0.00 O ATOM 237 C5' G A 8 47.383 27.048 24.000 1.00 0.00 C ATOM 238 C4' G A 8 47.509 25.597 24.456 1.00 0.00 C ATOM 239 O4' G A 8 47.431 25.498 25.880 1.00 0.00 O ATOM 240 C3' G A 8 46.393 24.744 23.864 1.00 0.00 C ATOM 241 O3' G A 8 46.759 24.206 22.591 1.00 0.00 O ATOM 242 C2' G A 8 46.239 23.652 24.918 1.00 0.00 C ATOM 243 O2' G A 8 47.143 22.571 24.673 1.00 0.00 O ATOM 244 C1' G A 8 46.581 24.393 26.206 1.00 0.00 C ATOM 245 N9 G A 8 45.360 24.873 26.880 1.00 0.00 N ATOM 246 C8 G A 8 44.446 25.805 26.459 1.00 0.00 C ATOM 247 N7 G A 8 43.471 26.016 27.298 1.00 0.00 N ATOM 248 C5 G A 8 43.762 25.156 28.352 1.00 0.00 C ATOM 249 C6 G A 8 43.052 24.945 29.563 1.00 0.00 C ATOM 250 O6 G A 8 42.007 25.467 29.943 1.00 0.00 O ATOM 251 N1 G A 8 43.676 23.997 30.363 1.00 0.00 N ATOM 252 C2 G A 8 44.843 23.335 30.037 1.00 0.00 C ATOM 253 N2 G A 8 45.289 22.445 30.923 1.00 0.00 N ATOM 254 N3 G A 8 45.519 23.535 28.899 1.00 0.00 N ATOM 255 C4 G A 8 44.914 24.456 28.111 1.00 0.00 C ATOM 0 H5' G A 8 48.240 27.616 24.363 1.00 0.00 H new ATOM 0 H5'' G A 8 47.413 27.088 22.911 1.00 0.00 H new ATOM 0 H4' G A 8 48.479 25.238 24.111 1.00 0.00 H new ATOM 0 H3' G A 8 45.474 25.296 23.668 1.00 0.00 H new ATOM 0 H2' G A 8 45.251 23.192 24.936 1.00 0.00 H new ATOM 0 HO2' G A 8 47.435 22.595 23.738 1.00 0.00 H new ATOM 0 H1' G A 8 47.090 23.714 26.890 1.00 0.00 H new ATOM 0 H8 G A 8 44.527 26.320 25.513 1.00 0.00 H new ATOM 0 H1 G A 8 43.240 23.773 31.258 1.00 0.00 H new ATOM 0 H21 G A 8 46.147 21.925 30.736 1.00 0.00 H new ATOM 0 H22 G A 8 44.773 22.284 31.788 1.00 0.00 H new ATOM 267 P G A 9 46.091 24.756 21.233 1.00 0.00 P ATOM 268 OP1 G A 9 47.156 24.971 20.226 1.00 0.00 O ATOM 269 OP2 G A 9 45.176 25.870 21.566 1.00 0.00 O ATOM 270 O5' G A 9 45.207 23.499 20.754 1.00 0.00 O ATOM 271 C5' G A 9 43.920 23.248 21.324 1.00 0.00 C ATOM 272 C4' G A 9 43.653 21.753 21.461 1.00 0.00 C ATOM 273 O4' G A 9 44.333 21.241 22.610 1.00 0.00 O ATOM 274 C3' G A 9 42.159 21.500 21.626 1.00 0.00 C ATOM 275 O3' G A 9 41.537 21.242 20.365 1.00 0.00 O ATOM 276 C2' G A 9 42.133 20.278 22.539 1.00 0.00 C ATOM 277 O2' G A 9 42.094 19.062 21.787 1.00 0.00 O ATOM 278 C1' G A 9 43.434 20.391 23.326 1.00 0.00 C ATOM 279 N9 G A 9 43.187 20.914 24.683 1.00 0.00 N ATOM 280 C8 G A 9 42.730 22.155 25.048 1.00 0.00 C ATOM 281 N7 G A 9 42.605 22.325 26.335 1.00 0.00 N ATOM 282 C5 G A 9 43.006 21.101 26.860 1.00 0.00 C ATOM 283 C6 G A 9 43.091 20.684 28.214 1.00 0.00 C ATOM 284 O6 G A 9 42.818 21.319 29.231 1.00 0.00 O ATOM 285 N1 G A 9 43.549 19.378 28.320 1.00 0.00 N ATOM 286 C2 G A 9 43.894 18.569 27.256 1.00 0.00 C ATOM 287 N2 G A 9 44.297 17.333 27.546 1.00 0.00 N ATOM 288 N3 G A 9 43.809 18.959 25.977 1.00 0.00 N ATOM 289 C4 G A 9 43.365 20.232 25.863 1.00 0.00 C ATOM 0 H5' G A 9 43.150 23.701 20.700 1.00 0.00 H new ATOM 0 H5'' G A 9 43.856 23.722 22.304 1.00 0.00 H new ATOM 0 H4' G A 9 44.014 21.254 20.562 1.00 0.00 H new ATOM 0 H3' G A 9 41.610 22.349 22.034 1.00 0.00 H new ATOM 0 H2' G A 9 41.249 20.252 23.176 1.00 0.00 H new ATOM 0 HO2' G A 9 41.205 18.952 21.388 1.00 0.00 H new ATOM 0 H1' G A 9 43.877 19.401 23.436 1.00 0.00 H new ATOM 0 H8 G A 9 42.494 22.926 24.330 1.00 0.00 H new ATOM 0 H1 G A 9 43.638 18.985 29.257 1.00 0.00 H new ATOM 0 H21 G A 9 44.563 16.694 26.797 1.00 0.00 H new ATOM 0 H22 G A 9 44.339 17.025 28.518 1.00 0.00 H new ATOM 301 P A A 10 39.944 21.046 20.249 1.00 0.00 P ATOM 302 OP1 A A 10 39.579 21.048 18.814 1.00 0.00 O ATOM 303 OP2 A A 10 39.271 21.992 21.166 1.00 0.00 O ATOM 304 O5' A A 10 39.761 19.555 20.829 1.00 0.00 O ATOM 305 C5' A A 10 38.706 19.249 21.745 1.00 0.00 C ATOM 306 C4' A A 10 39.098 18.121 22.694 1.00 0.00 C ATOM 307 O4' A A 10 40.208 18.508 23.508 1.00 0.00 O ATOM 308 C3' A A 10 37.929 17.748 23.600 1.00 0.00 C ATOM 309 O3' A A 10 37.210 16.621 23.093 1.00 0.00 O ATOM 310 C2' A A 10 38.612 17.413 24.922 1.00 0.00 C ATOM 311 O2' A A 10 38.859 16.009 25.029 1.00 0.00 O ATOM 312 C1' A A 10 39.914 18.205 24.874 1.00 0.00 C ATOM 313 N9 A A 10 39.820 19.445 25.666 1.00 0.00 N ATOM 314 C8 A A 10 40.207 19.667 26.962 1.00 0.00 C ATOM 315 N7 A A 10 40.006 20.881 27.396 1.00 0.00 N ATOM 316 C5 A A 10 39.438 21.514 26.295 1.00 0.00 C ATOM 317 C6 A A 10 38.990 22.826 26.072 1.00 0.00 C ATOM 318 N6 A A 10 39.044 23.782 27.001 1.00 0.00 N ATOM 319 N1 A A 10 38.486 23.113 24.866 1.00 0.00 N ATOM 320 C2 A A 10 38.420 22.184 23.924 1.00 0.00 C ATOM 321 N3 A A 10 38.820 20.925 24.009 1.00 0.00 N ATOM 322 C4 A A 10 39.325 20.653 25.235 1.00 0.00 C ATOM 0 H5' A A 10 37.812 18.965 21.190 1.00 0.00 H new ATOM 0 H5'' A A 10 38.454 20.139 22.321 1.00 0.00 H new ATOM 0 H4' A A 10 39.376 17.260 22.086 1.00 0.00 H new ATOM 0 H3' A A 10 37.188 18.543 23.685 1.00 0.00 H new ATOM 0 H2' A A 10 38.003 17.669 25.789 1.00 0.00 H new ATOM 0 HO2' A A 10 38.224 15.521 24.464 1.00 0.00 H new ATOM 0 H1' A A 10 40.714 17.606 25.309 1.00 0.00 H new ATOM 0 H8 A A 10 40.645 18.895 27.578 1.00 0.00 H new ATOM 0 H61 A A 10 38.705 24.720 26.788 1.00 0.00 H new ATOM 0 H62 A A 10 39.424 23.575 27.924 1.00 0.00 H new ATOM 0 H2 A A 10 37.992 22.488 22.980 1.00 0.00 H new ATOM 334 P A A 11 35.671 16.377 23.496 1.00 0.00 P ATOM 335 OP1 A A 11 35.255 15.063 22.957 1.00 0.00 O ATOM 336 OP2 A A 11 34.889 17.580 23.132 1.00 0.00 O ATOM 337 O5' A A 11 35.729 16.278 25.102 1.00 0.00 O ATOM 338 C5' A A 11 34.752 16.942 25.909 1.00 0.00 C ATOM 339 C4' A A 11 35.370 17.631 27.121 1.00 0.00 C ATOM 340 O4' A A 11 36.511 18.408 26.747 1.00 0.00 O ATOM 341 C3' A A 11 34.350 18.554 27.778 1.00 0.00 C ATOM 342 O3' A A 11 33.703 17.906 28.877 1.00 0.00 O ATOM 343 C2' A A 11 35.203 19.728 28.244 1.00 0.00 C ATOM 344 O2' A A 11 35.731 19.509 29.556 1.00 0.00 O ATOM 345 C1' A A 11 36.300 19.752 27.185 1.00 0.00 C ATOM 346 N9 A A 11 35.891 20.604 26.052 1.00 0.00 N ATOM 347 C8 A A 11 35.554 20.228 24.778 1.00 0.00 C ATOM 348 N7 A A 11 35.260 21.216 23.981 1.00 0.00 N ATOM 349 C5 A A 11 35.413 22.335 24.795 1.00 0.00 C ATOM 350 C6 A A 11 35.255 23.710 24.565 1.00 0.00 C ATOM 351 N6 A A 11 34.863 24.213 23.395 1.00 0.00 N ATOM 352 N1 A A 11 35.484 24.542 25.590 1.00 0.00 N ATOM 353 C2 A A 11 35.851 24.068 26.771 1.00 0.00 C ATOM 354 N3 A A 11 36.030 22.800 27.107 1.00 0.00 N ATOM 355 C4 A A 11 35.795 21.974 26.059 1.00 0.00 C ATOM 0 H5' A A 11 34.010 16.218 26.245 1.00 0.00 H new ATOM 0 H5'' A A 11 34.226 17.680 25.304 1.00 0.00 H new ATOM 0 H4' A A 11 35.679 16.853 27.819 1.00 0.00 H new ATOM 0 H3' A A 11 33.543 18.854 27.110 1.00 0.00 H new ATOM 0 H2' A A 11 34.656 20.667 28.330 1.00 0.00 H new ATOM 0 HO2' A A 11 35.425 18.640 29.891 1.00 0.00 H new ATOM 0 H1' A A 11 37.221 20.163 27.597 1.00 0.00 H new ATOM 0 H8 A A 11 35.534 19.196 24.460 1.00 0.00 H new ATOM 0 H61 A A 11 34.764 25.222 23.281 1.00 0.00 H new ATOM 0 H62 A A 11 34.662 23.589 22.613 1.00 0.00 H new ATOM 0 H2 A A 11 36.024 24.798 27.548 1.00 0.00 H new ATOM 367 P C A 12 32.181 18.268 29.255 1.00 0.00 P ATOM 368 OP1 C A 12 31.722 17.294 30.271 1.00 0.00 O ATOM 369 OP2 C A 12 31.411 18.418 28.000 1.00 0.00 O ATOM 370 O5' C A 12 32.335 19.719 29.937 1.00 0.00 O ATOM 371 C5' C A 12 33.101 19.885 31.132 1.00 0.00 C ATOM 372 C4' C A 12 33.028 21.308 31.676 1.00 0.00 C ATOM 373 O4' C A 12 33.567 22.252 30.746 1.00 0.00 O ATOM 374 C3' C A 12 31.582 21.703 31.953 1.00 0.00 C ATOM 375 O3' C A 12 31.161 21.304 33.260 1.00 0.00 O ATOM 376 C2' C A 12 31.655 23.220 31.818 1.00 0.00 C ATOM 377 O2' C A 12 32.079 23.831 33.040 1.00 0.00 O ATOM 378 C1' C A 12 32.692 23.384 30.713 1.00 0.00 C ATOM 379 N1 C A 12 32.036 23.501 29.398 1.00 0.00 N ATOM 380 C2 C A 12 31.870 24.777 28.889 1.00 0.00 C ATOM 381 O2 C A 12 32.260 25.750 29.529 1.00 0.00 O ATOM 382 N3 C A 12 31.246 24.923 27.692 1.00 0.00 N ATOM 383 C4 C A 12 30.787 23.862 27.016 1.00 0.00 C ATOM 384 N4 C A 12 30.110 24.065 25.887 1.00 0.00 N ATOM 385 C5 C A 12 30.956 22.537 27.535 1.00 0.00 C ATOM 386 C6 C A 12 31.582 22.405 28.724 1.00 0.00 C ATOM 0 H5' C A 12 34.141 19.628 30.932 1.00 0.00 H new ATOM 0 H5'' C A 12 32.741 19.190 31.891 1.00 0.00 H new ATOM 0 H4' C A 12 33.612 21.324 32.596 1.00 0.00 H new ATOM 0 H3' C A 12 30.858 21.232 31.289 1.00 0.00 H new ATOM 0 H2' C A 12 30.699 23.694 31.594 1.00 0.00 H new ATOM 0 HO2' C A 12 31.884 23.232 33.790 1.00 0.00 H new ATOM 0 H1' C A 12 33.265 24.297 30.874 1.00 0.00 H new ATOM 0 H41 C A 12 29.752 23.270 25.357 1.00 0.00 H new ATOM 0 H42 C A 12 29.950 25.015 25.552 1.00 0.00 H new ATOM 0 H5 C A 12 30.595 21.674 26.994 1.00 0.00 H new ATOM 0 H6 C A 12 31.725 21.421 29.146 1.00 0.00 H new ATOM 398 P U A 13 29.615 20.950 33.540 1.00 0.00 P ATOM 399 OP1 U A 13 29.507 20.359 34.893 1.00 0.00 O ATOM 400 OP2 U A 13 29.094 20.199 32.376 1.00 0.00 O ATOM 401 O5' U A 13 28.934 22.408 33.558 1.00 0.00 O ATOM 402 C5' U A 13 29.052 23.261 34.700 1.00 0.00 C ATOM 403 C4' U A 13 28.421 24.631 34.478 1.00 0.00 C ATOM 404 O4' U A 13 29.084 25.342 33.429 1.00 0.00 O ATOM 405 C3' U A 13 26.954 24.495 34.086 1.00 0.00 C ATOM 406 O3' U A 13 26.095 24.392 35.225 1.00 0.00 O ATOM 407 C2' U A 13 26.726 25.794 33.319 1.00 0.00 C ATOM 408 O2' U A 13 26.388 26.866 34.203 1.00 0.00 O ATOM 409 C1' U A 13 28.085 26.022 32.665 1.00 0.00 C ATOM 410 N1 U A 13 28.073 25.554 31.266 1.00 0.00 N ATOM 411 C2 U A 13 27.862 26.506 30.285 1.00 0.00 C ATOM 412 O2 U A 13 27.717 27.697 30.550 1.00 0.00 O ATOM 413 N3 U A 13 27.822 26.030 28.983 1.00 0.00 N ATOM 414 C4 U A 13 27.967 24.706 28.591 1.00 0.00 C ATOM 415 O4 U A 13 27.879 24.394 27.406 1.00 0.00 O ATOM 416 C5 U A 13 28.187 23.791 29.687 1.00 0.00 C ATOM 417 C6 U A 13 28.219 24.231 30.963 1.00 0.00 C ATOM 0 H5' U A 13 30.106 23.387 34.947 1.00 0.00 H new ATOM 0 H5'' U A 13 28.579 22.782 35.557 1.00 0.00 H new ATOM 0 H4' U A 13 28.515 25.176 35.417 1.00 0.00 H new ATOM 0 H3' U A 13 26.734 23.593 33.514 1.00 0.00 H new ATOM 0 H2' U A 13 25.901 25.745 32.609 1.00 0.00 H new ATOM 0 HO2' U A 13 26.437 26.553 35.130 1.00 0.00 H new ATOM 0 H1' U A 13 28.312 27.088 32.648 1.00 0.00 H new ATOM 0 H3 U A 13 27.672 26.717 28.244 1.00 0.00 H new ATOM 0 H5 U A 13 28.328 22.740 29.483 1.00 0.00 H new ATOM 0 H6 U A 13 28.363 23.520 31.763 1.00 0.00 H new ATOM 428 P C A 14 24.661 23.671 35.109 1.00 0.00 P ATOM 429 OP1 C A 14 23.982 23.761 36.421 1.00 0.00 O ATOM 430 OP2 C A 14 24.856 22.340 34.491 1.00 0.00 O ATOM 431 O5' C A 14 23.880 24.611 34.061 1.00 0.00 O ATOM 432 C5' C A 14 23.511 25.942 34.431 1.00 0.00 C ATOM 433 C4' C A 14 23.184 26.811 33.221 1.00 0.00 C ATOM 434 O4' C A 14 24.285 26.854 32.309 1.00 0.00 O ATOM 435 C3' C A 14 21.976 26.268 32.464 1.00 0.00 C ATOM 436 O3' C A 14 20.751 26.764 33.013 1.00 0.00 O ATOM 437 C2' C A 14 22.233 26.804 31.060 1.00 0.00 C ATOM 438 O2' C A 14 21.715 28.126 30.890 1.00 0.00 O ATOM 439 C1' C A 14 23.756 26.792 30.982 1.00 0.00 C ATOM 440 N1 C A 14 24.218 25.580 30.280 1.00 0.00 N ATOM 441 C2 C A 14 24.652 25.743 28.977 1.00 0.00 C ATOM 442 O2 C A 14 24.688 26.858 28.464 1.00 0.00 O ATOM 443 N3 C A 14 25.058 24.640 28.296 1.00 0.00 N ATOM 444 C4 C A 14 25.046 23.428 28.865 1.00 0.00 C ATOM 445 N4 C A 14 25.456 22.371 28.163 1.00 0.00 N ATOM 446 C5 C A 14 24.603 23.258 30.216 1.00 0.00 C ATOM 447 C6 C A 14 24.194 24.357 30.886 1.00 0.00 C ATOM 0 H5' C A 14 24.325 26.399 34.994 1.00 0.00 H new ATOM 0 H5'' C A 14 22.646 25.906 35.094 1.00 0.00 H new ATOM 0 H4' C A 14 22.970 27.810 33.601 1.00 0.00 H new ATOM 0 H3' C A 14 21.869 25.184 32.506 1.00 0.00 H new ATOM 0 H2' C A 14 21.747 26.217 30.280 1.00 0.00 H new ATOM 0 HO2' C A 14 21.900 28.435 29.979 1.00 0.00 H new ATOM 0 H1' C A 14 24.109 27.655 30.418 1.00 0.00 H new ATOM 0 H41 C A 14 25.451 21.444 28.588 1.00 0.00 H new ATOM 0 H42 C A 14 25.775 22.490 27.201 1.00 0.00 H new ATOM 0 H5 C A 14 24.596 22.284 30.683 1.00 0.00 H new ATOM 0 H6 C A 14 23.847 24.268 31.905 1.00 0.00 H new ATOM 459 P C A 15 19.354 26.014 32.735 1.00 0.00 P ATOM 460 OP1 C A 15 18.319 26.622 33.601 1.00 0.00 O ATOM 461 OP2 C A 15 19.574 24.551 32.798 1.00 0.00 O ATOM 462 O5' C A 15 19.054 26.401 31.202 1.00 0.00 O ATOM 463 C5' C A 15 18.573 27.701 30.849 1.00 0.00 C ATOM 464 C4' C A 15 18.027 27.739 29.426 1.00 0.00 C ATOM 465 O4' C A 15 19.079 27.583 28.470 1.00 0.00 O ATOM 466 C3' C A 15 16.992 26.643 29.193 1.00 0.00 C ATOM 467 O3' C A 15 15.670 27.087 29.507 1.00 0.00 O ATOM 468 C2' C A 15 17.165 26.363 27.703 1.00 0.00 C ATOM 469 O2' C A 15 16.370 27.247 26.910 1.00 0.00 O ATOM 470 C1' C A 15 18.653 26.629 27.494 1.00 0.00 C ATOM 471 N1 C A 15 19.428 25.382 27.620 1.00 0.00 N ATOM 472 C2 C A 15 19.667 24.647 26.473 1.00 0.00 C ATOM 473 O2 C A 15 19.218 25.025 25.393 1.00 0.00 O ATOM 474 N3 C A 15 20.384 23.498 26.571 1.00 0.00 N ATOM 475 C4 C A 15 20.853 23.083 27.755 1.00 0.00 C ATOM 476 N4 C A 15 21.550 21.948 27.812 1.00 0.00 N ATOM 477 C5 C A 15 20.607 23.833 28.951 1.00 0.00 C ATOM 478 C6 C A 15 19.896 24.974 28.836 1.00 0.00 C ATOM 0 H5' C A 15 19.381 28.426 30.947 1.00 0.00 H new ATOM 0 H5'' C A 15 17.790 28.000 31.546 1.00 0.00 H new ATOM 0 H4' C A 15 17.553 28.712 29.298 1.00 0.00 H new ATOM 0 H3' C A 15 17.130 25.763 29.821 1.00 0.00 H new ATOM 0 H2' C A 15 16.851 25.361 27.411 1.00 0.00 H new ATOM 0 HO2' C A 15 15.596 27.546 27.431 1.00 0.00 H new ATOM 0 HO3' C A 15 15.033 26.360 29.344 1.00 0.00 H new ATOM 0 H1' C A 15 18.821 27.021 26.491 1.00 0.00 H new ATOM 0 H41 C A 15 21.914 21.618 28.706 1.00 0.00 H new ATOM 0 H42 C A 15 21.719 21.410 26.962 1.00 0.00 H new ATOM 0 H5 C A 15 20.977 23.498 29.909 1.00 0.00 H new ATOM 0 H6 C A 15 19.695 25.570 29.714 1.00 0.00 H new TER 491 C A 15