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 -77:sc= 0.187 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00907 USER MOD Single : A 2 G O2' : rot -22:sc= -0.173 USER MOD Single : A 3 A O2' : rot -30:sc= 0.145 USER MOD Single : A 4 U O2' : rot 180:sc= -0.264 USER MOD Single : A 5 G O2' : rot -6:sc= 0.0663 USER MOD Single : A 6 U O2' : rot -14:sc= -0.464 USER MOD Single : A 7 C O2' : rot -8:sc= -0.161 USER MOD Single : A 8 C O2' : rot -32:sc= 0.128 USER MOD Single : A 8 C O3' : rot 180:sc= 0.154 USER MOD Single : B 9 G O2' : rot -76:sc= 0.204 USER MOD Single : B 9 G O5' : rot 30:sc= 0.00217 USER MOD Single : B 10 G O2' : rot -28:sc= 0.0722 USER MOD Single : B 11 A O2' : rot -22:sc= 0.15 USER MOD Single : B 12 U O2' : rot -170:sc= -0.275 USER MOD Single : B 13 G O2' : rot -6:sc= 0.0887 USER MOD Single : B 14 U O2' : rot -14:sc= -0.464 USER MOD Single : B 15 C O2' : rot 180:sc= -0.236 USER MOD Single : B 16 C O2' : rot -28:sc= 0.124 USER MOD Single : B 16 C O3' : rot 180:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.668 -8.636 4.306 1.00 0.00 O ATOM 2 C5' G A 1 8.054 -8.803 4.107 1.00 0.00 C ATOM 3 C4' G A 1 8.716 -7.441 3.883 1.00 0.00 C ATOM 4 O4' G A 1 8.184 -6.788 2.739 1.00 0.00 O ATOM 5 C3' G A 1 8.472 -6.476 5.023 1.00 0.00 C ATOM 6 O3' G A 1 9.275 -6.759 6.153 1.00 0.00 O ATOM 7 C2' G A 1 8.853 -5.172 4.361 1.00 0.00 C ATOM 8 O2' G A 1 10.260 -5.044 4.343 1.00 0.00 O ATOM 9 C1' G A 1 8.357 -5.375 2.925 1.00 0.00 C ATOM 10 N9 G A 1 7.068 -4.679 2.729 1.00 0.00 N ATOM 11 C8 G A 1 5.794 -5.181 2.807 1.00 0.00 C ATOM 12 N7 G A 1 4.862 -4.302 2.565 1.00 0.00 N ATOM 13 C5 G A 1 5.566 -3.129 2.310 1.00 0.00 C ATOM 14 C6 G A 1 5.088 -1.826 1.982 1.00 0.00 C ATOM 15 O6 G A 1 3.925 -1.451 1.851 1.00 0.00 O ATOM 16 N1 G A 1 6.133 -0.926 1.804 1.00 0.00 N ATOM 17 C2 G A 1 7.471 -1.234 1.930 1.00 0.00 C ATOM 18 N2 G A 1 8.339 -0.237 1.733 1.00 0.00 N ATOM 19 N3 G A 1 7.924 -2.455 2.236 1.00 0.00 N ATOM 20 C4 G A 1 6.919 -3.350 2.411 1.00 0.00 C ATOM 0 H5' G A 1 8.232 -9.449 3.247 1.00 0.00 H new ATOM 0 H5'' G A 1 8.498 -9.295 4.973 1.00 0.00 H new ATOM 0 H4' G A 1 9.777 -7.668 3.780 1.00 0.00 H new ATOM 0 H3' G A 1 7.460 -6.502 5.428 1.00 0.00 H new ATOM 0 H2' G A 1 8.445 -4.292 4.858 1.00 0.00 H new ATOM 0 HO2' G A 1 10.577 -4.788 5.234 1.00 0.00 H new ATOM 0 HO5' G A 1 6.250 -9.511 4.447 1.00 0.00 H new ATOM 0 H1' G A 1 9.069 -4.969 2.207 1.00 0.00 H new ATOM 0 H8 G A 1 5.582 -6.212 3.047 1.00 0.00 H new ATOM 0 H1 G A 1 5.891 0.035 1.562 1.00 0.00 H new ATOM 0 H21 G A 1 9.341 -0.410 1.814 1.00 0.00 H new ATOM 0 H22 G A 1 7.999 0.697 1.502 1.00 0.00 H new ATOM 33 P G A 2 9.081 -5.934 7.524 1.00 0.00 P ATOM 34 OP1 G A 2 10.017 -6.477 8.532 1.00 0.00 O ATOM 35 OP2 G A 2 7.632 -5.874 7.819 1.00 0.00 O ATOM 36 O5' G A 2 9.577 -4.458 7.119 1.00 0.00 O ATOM 37 C5' G A 2 9.042 -3.318 7.754 1.00 0.00 C ATOM 38 C4' G A 2 9.621 -2.059 7.109 1.00 0.00 C ATOM 39 O4' G A 2 9.289 -2.001 5.716 1.00 0.00 O ATOM 40 C3' G A 2 9.034 -0.804 7.728 1.00 0.00 C ATOM 41 O3' G A 2 9.697 -0.429 8.922 1.00 0.00 O ATOM 42 C2' G A 2 9.254 0.187 6.610 1.00 0.00 C ATOM 43 O2' G A 2 10.618 0.546 6.532 1.00 0.00 O ATOM 44 C1' G A 2 8.891 -0.661 5.397 1.00 0.00 C ATOM 45 N9 G A 2 7.426 -0.630 5.189 1.00 0.00 N ATOM 46 C8 G A 2 6.510 -1.631 5.389 1.00 0.00 C ATOM 47 N7 G A 2 5.281 -1.286 5.132 1.00 0.00 N ATOM 48 C5 G A 2 5.383 0.040 4.725 1.00 0.00 C ATOM 49 C6 G A 2 4.367 0.948 4.310 1.00 0.00 C ATOM 50 O6 G A 2 3.157 0.752 4.233 1.00 0.00 O ATOM 51 N1 G A 2 4.895 2.186 3.965 1.00 0.00 N ATOM 52 C2 G A 2 6.233 2.514 4.008 1.00 0.00 C ATOM 53 N2 G A 2 6.558 3.756 3.634 1.00 0.00 N ATOM 54 N3 G A 2 7.191 1.666 4.402 1.00 0.00 N ATOM 55 C4 G A 2 6.695 0.449 4.745 1.00 0.00 C ATOM 0 H5' G A 2 9.278 -3.336 8.818 1.00 0.00 H new ATOM 0 H5'' G A 2 7.955 -3.317 7.669 1.00 0.00 H new ATOM 0 H4' G A 2 10.699 -2.106 7.263 1.00 0.00 H new ATOM 0 H3' G A 2 7.996 -0.902 8.045 1.00 0.00 H new ATOM 0 H2' G A 2 8.691 1.114 6.717 1.00 0.00 H new ATOM 0 HO2' G A 2 11.053 0.367 7.392 1.00 0.00 H new ATOM 0 H1' G A 2 9.379 -0.294 4.494 1.00 0.00 H new ATOM 0 H8 G A 2 6.784 -2.619 5.730 1.00 0.00 H new ATOM 0 H1 G A 2 4.243 2.907 3.656 1.00 0.00 H new ATOM 0 H21 G A 2 7.534 4.053 3.646 1.00 0.00 H new ATOM 0 H22 G A 2 5.830 4.406 3.337 1.00 0.00 H new ATOM 67 P A A 3 8.982 0.542 10.003 1.00 0.00 P ATOM 68 OP1 A A 3 9.934 0.768 11.113 1.00 0.00 O ATOM 69 OP2 A A 3 7.640 -0.010 10.290 1.00 0.00 O ATOM 70 O5' A A 3 8.789 1.936 9.218 1.00 0.00 O ATOM 71 C5' A A 3 9.897 2.749 8.903 1.00 0.00 C ATOM 72 C4' A A 3 9.425 3.992 8.146 1.00 0.00 C ATOM 73 O4' A A 3 8.709 3.633 6.961 1.00 0.00 O ATOM 74 C3' A A 3 8.471 4.861 8.943 1.00 0.00 C ATOM 75 O3' A A 3 9.146 5.715 9.844 1.00 0.00 O ATOM 76 C2' A A 3 7.795 5.642 7.851 1.00 0.00 C ATOM 77 O2' A A 3 8.651 6.667 7.388 1.00 0.00 O ATOM 78 C1' A A 3 7.645 4.582 6.767 1.00 0.00 C ATOM 79 N9 A A 3 6.333 3.905 6.904 1.00 0.00 N ATOM 80 C8 A A 3 6.056 2.619 7.298 1.00 0.00 C ATOM 81 N7 A A 3 4.790 2.310 7.252 1.00 0.00 N ATOM 82 C5 A A 3 4.180 3.478 6.811 1.00 0.00 C ATOM 83 C6 A A 3 2.838 3.813 6.557 1.00 0.00 C ATOM 84 N6 A A 3 1.825 2.951 6.708 1.00 0.00 N ATOM 85 N1 A A 3 2.574 5.069 6.153 1.00 0.00 N ATOM 86 C2 A A 3 3.582 5.924 6.002 1.00 0.00 C ATOM 87 N3 A A 3 4.879 5.728 6.194 1.00 0.00 N ATOM 88 C4 A A 3 5.111 4.460 6.607 1.00 0.00 C ATOM 0 H5' A A 3 10.610 2.190 8.296 1.00 0.00 H new ATOM 0 H5'' A A 3 10.416 3.042 9.815 1.00 0.00 H new ATOM 0 H4' A A 3 10.342 4.540 7.932 1.00 0.00 H new ATOM 0 H3' A A 3 7.792 4.292 9.578 1.00 0.00 H new ATOM 0 H2' A A 3 6.863 6.119 8.155 1.00 0.00 H new ATOM 0 HO2' A A 3 9.234 6.961 8.119 1.00 0.00 H new ATOM 0 H1' A A 3 7.695 5.027 5.773 1.00 0.00 H new ATOM 0 H8 A A 3 6.819 1.925 7.618 1.00 0.00 H new ATOM 0 H61 A A 3 0.869 3.247 6.509 1.00 0.00 H new ATOM 0 H62 A A 3 2.009 1.998 7.022 1.00 0.00 H new ATOM 0 H2 A A 3 3.305 6.916 5.678 1.00 0.00 H new ATOM 100 P U A 4 8.770 5.721 11.404 1.00 0.00 P ATOM 101 OP1 U A 4 9.746 6.572 12.121 1.00 0.00 O ATOM 102 OP2 U A 4 8.539 4.327 11.839 1.00 0.00 O ATOM 103 O5' U A 4 7.359 6.490 11.361 1.00 0.00 O ATOM 104 C5' U A 4 7.305 7.865 11.037 1.00 0.00 C ATOM 105 C4' U A 4 5.859 8.288 10.779 1.00 0.00 C ATOM 106 O4' U A 4 5.321 7.599 9.653 1.00 0.00 O ATOM 107 C3' U A 4 4.932 7.963 11.931 1.00 0.00 C ATOM 108 O3' U A 4 5.044 8.904 12.984 1.00 0.00 O ATOM 109 C2' U A 4 3.595 8.040 11.232 1.00 0.00 C ATOM 110 O2' U A 4 3.227 9.391 11.051 1.00 0.00 O ATOM 111 C1' U A 4 3.911 7.439 9.860 1.00 0.00 C ATOM 112 N1 U A 4 3.545 6.001 9.834 1.00 0.00 N ATOM 113 C2 U A 4 2.211 5.697 9.619 1.00 0.00 C ATOM 114 O2 U A 4 1.366 6.572 9.453 1.00 0.00 O ATOM 115 N3 U A 4 1.881 4.350 9.597 1.00 0.00 N ATOM 116 C4 U A 4 2.762 3.296 9.780 1.00 0.00 C ATOM 117 O4 U A 4 2.362 2.136 9.754 1.00 0.00 O ATOM 118 C5 U A 4 4.138 3.704 9.983 1.00 0.00 C ATOM 119 C6 U A 4 4.483 5.013 10.002 1.00 0.00 C ATOM 0 H5' U A 4 7.913 8.063 10.154 1.00 0.00 H new ATOM 0 H5'' U A 4 7.725 8.455 11.852 1.00 0.00 H new ATOM 0 H4' U A 4 5.907 9.366 10.624 1.00 0.00 H new ATOM 0 H3' U A 4 5.130 7.011 12.423 1.00 0.00 H new ATOM 0 H2' U A 4 2.791 7.543 11.775 1.00 0.00 H new ATOM 0 HO2' U A 4 2.360 9.436 10.597 1.00 0.00 H new ATOM 0 H1' U A 4 3.343 7.937 9.074 1.00 0.00 H new ATOM 0 H3 U A 4 0.903 4.114 9.431 1.00 0.00 H new ATOM 0 H5 U A 4 4.900 2.952 10.121 1.00 0.00 H new ATOM 0 H6 U A 4 5.517 5.285 10.152 1.00 0.00 H new ATOM 130 P G A 5 4.298 8.659 14.394 1.00 0.00 P ATOM 131 OP1 G A 5 4.696 9.744 15.319 1.00 0.00 O ATOM 132 OP2 G A 5 4.510 7.248 14.783 1.00 0.00 O ATOM 133 O5' G A 5 2.740 8.852 14.038 1.00 0.00 O ATOM 134 C5' G A 5 2.191 10.141 13.841 1.00 0.00 C ATOM 135 C4' G A 5 0.701 10.009 13.518 1.00 0.00 C ATOM 136 O4' G A 5 0.495 9.233 12.343 1.00 0.00 O ATOM 137 C3' G A 5 -0.047 9.265 14.603 1.00 0.00 C ATOM 138 O3' G A 5 -0.326 10.083 15.730 1.00 0.00 O ATOM 139 C2' G A 5 -1.301 8.881 13.859 1.00 0.00 C ATOM 140 O2' G A 5 -2.215 9.956 13.868 1.00 0.00 O ATOM 141 C1' G A 5 -0.813 8.658 12.434 1.00 0.00 C ATOM 142 N9 G A 5 -0.775 7.212 12.156 1.00 0.00 N ATOM 143 C8 G A 5 0.280 6.348 12.235 1.00 0.00 C ATOM 144 N7 G A 5 -0.024 5.110 11.954 1.00 0.00 N ATOM 145 C5 G A 5 -1.387 5.156 11.675 1.00 0.00 C ATOM 146 C6 G A 5 -2.292 4.112 11.312 1.00 0.00 C ATOM 147 O6 G A 5 -2.062 2.916 11.140 1.00 0.00 O ATOM 148 N1 G A 5 -3.581 4.594 11.148 1.00 0.00 N ATOM 149 C2 G A 5 -3.967 5.905 11.298 1.00 0.00 C ATOM 150 N2 G A 5 -5.259 6.175 11.089 1.00 0.00 N ATOM 151 N3 G A 5 -3.126 6.888 11.633 1.00 0.00 N ATOM 152 C4 G A 5 -1.856 6.442 11.806 1.00 0.00 C ATOM 0 H5' G A 5 2.708 10.649 13.027 1.00 0.00 H new ATOM 0 H5'' G A 5 2.329 10.749 14.735 1.00 0.00 H new ATOM 0 H4' G A 5 0.341 11.032 13.408 1.00 0.00 H new ATOM 0 H3' G A 5 0.503 8.428 15.032 1.00 0.00 H new ATOM 0 H2' G A 5 -1.803 8.016 14.293 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.869 10.675 14.438 1.00 0.00 H new ATOM 0 H1' G A 5 -1.475 9.122 11.703 1.00 0.00 H new ATOM 0 H8 G A 5 1.277 6.661 12.506 1.00 0.00 H new ATOM 0 H1 G A 5 -4.304 3.920 10.895 1.00 0.00 H new ATOM 0 H21 G A 5 -5.603 7.130 11.186 1.00 0.00 H new ATOM 0 H22 G A 5 -5.902 5.426 10.832 1.00 0.00 H new ATOM 164 P U A 6 -0.843 9.436 17.121 1.00 0.00 P ATOM 165 OP1 U A 6 -0.965 10.527 18.114 1.00 0.00 O ATOM 166 OP2 U A 6 0.013 8.268 17.421 1.00 0.00 O ATOM 167 O5' U A 6 -2.330 8.890 16.796 1.00 0.00 O ATOM 168 C5' U A 6 -3.448 9.758 16.787 1.00 0.00 C ATOM 169 C4' U A 6 -4.736 8.951 16.546 1.00 0.00 C ATOM 170 O4' U A 6 -4.737 8.319 15.259 1.00 0.00 O ATOM 171 C3' U A 6 -4.916 7.818 17.544 1.00 0.00 C ATOM 172 O3' U A 6 -5.418 8.240 18.795 1.00 0.00 O ATOM 173 C2' U A 6 -5.928 6.980 16.809 1.00 0.00 C ATOM 174 O2' U A 6 -7.199 7.593 16.872 1.00 0.00 O ATOM 175 C1' U A 6 -5.428 7.056 15.381 1.00 0.00 C ATOM 176 N1 U A 6 -4.500 5.935 15.086 1.00 0.00 N ATOM 177 C2 U A 6 -5.042 4.774 14.553 1.00 0.00 C ATOM 178 O2 U A 6 -6.250 4.632 14.377 1.00 0.00 O ATOM 179 N3 U A 6 -4.141 3.775 14.224 1.00 0.00 N ATOM 180 C4 U A 6 -2.767 3.834 14.378 1.00 0.00 C ATOM 181 O4 U A 6 -2.062 2.877 14.067 1.00 0.00 O ATOM 182 C5 U A 6 -2.288 5.085 14.921 1.00 0.00 C ATOM 183 C6 U A 6 -3.151 6.070 15.259 1.00 0.00 C ATOM 0 H5' U A 6 -3.329 10.510 16.007 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.514 10.290 17.736 1.00 0.00 H new ATOM 0 H4' U A 6 -5.535 9.687 16.640 1.00 0.00 H new ATOM 0 H3' U A 6 -3.984 7.319 17.809 1.00 0.00 H new ATOM 0 H2' U A 6 -6.027 5.970 17.207 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.191 8.293 17.558 1.00 0.00 H new ATOM 0 H1' U A 6 -6.255 6.982 14.675 1.00 0.00 H new ATOM 0 H3 U A 6 -4.526 2.916 13.832 1.00 0.00 H new ATOM 0 H5 U A 6 -1.227 5.235 15.059 1.00 0.00 H new ATOM 0 H6 U A 6 -2.764 6.988 15.677 1.00 0.00 H new ATOM 194 P C A 7 -5.393 7.240 20.068 1.00 0.00 P ATOM 195 OP1 C A 7 -6.097 7.905 21.188 1.00 0.00 O ATOM 196 OP2 C A 7 -4.000 6.778 20.251 1.00 0.00 O ATOM 197 O5' C A 7 -6.280 5.968 19.600 1.00 0.00 O ATOM 198 C5' C A 7 -7.693 6.027 19.582 1.00 0.00 C ATOM 199 C4' C A 7 -8.274 4.669 19.158 1.00 0.00 C ATOM 200 O4' C A 7 -7.851 4.280 17.846 1.00 0.00 O ATOM 201 C3' C A 7 -7.816 3.544 20.060 1.00 0.00 C ATOM 202 O3' C A 7 -8.495 3.538 21.301 1.00 0.00 O ATOM 203 C2' C A 7 -8.178 2.351 19.204 1.00 0.00 C ATOM 204 O2' C A 7 -9.570 2.119 19.272 1.00 0.00 O ATOM 205 C1' C A 7 -7.831 2.836 17.795 1.00 0.00 C ATOM 206 N1 C A 7 -6.485 2.333 17.401 1.00 0.00 N ATOM 207 C2 C A 7 -6.384 0.993 17.032 1.00 0.00 C ATOM 208 O2 C A 7 -7.382 0.274 17.021 1.00 0.00 O ATOM 209 N3 C A 7 -5.159 0.507 16.687 1.00 0.00 N ATOM 210 C4 C A 7 -4.076 1.296 16.706 1.00 0.00 C ATOM 211 N4 C A 7 -2.893 0.781 16.360 1.00 0.00 N ATOM 212 C5 C A 7 -4.164 2.674 17.079 1.00 0.00 C ATOM 213 C6 C A 7 -5.384 3.146 17.409 1.00 0.00 C ATOM 0 H5' C A 7 -8.023 6.804 18.892 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.066 6.298 20.570 1.00 0.00 H new ATOM 0 H4' C A 7 -9.353 4.814 19.207 1.00 0.00 H new ATOM 0 H3' C A 7 -6.767 3.595 20.352 1.00 0.00 H new ATOM 0 H2' C A 7 -7.672 1.433 19.503 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.965 2.695 19.959 1.00 0.00 H new ATOM 0 H1' C A 7 -8.541 2.467 17.054 1.00 0.00 H new ATOM 0 H41 C A 7 -2.059 1.368 16.369 1.00 0.00 H new ATOM 0 H42 C A 7 -2.824 -0.199 16.087 1.00 0.00 H new ATOM 0 H5 C A 7 -3.291 3.310 17.096 1.00 0.00 H new ATOM 0 H6 C A 7 -5.494 4.184 17.685 1.00 0.00 H new ATOM 225 P C A 8 -7.963 2.635 22.529 1.00 0.00 P ATOM 226 OP1 C A 8 -8.867 2.844 23.681 1.00 0.00 O ATOM 227 OP2 C A 8 -6.513 2.885 22.682 1.00 0.00 O ATOM 228 O5' C A 8 -8.153 1.122 22.013 1.00 0.00 O ATOM 229 C5' C A 8 -9.424 0.505 22.012 1.00 0.00 C ATOM 230 C4' C A 8 -9.280 -0.942 21.535 1.00 0.00 C ATOM 231 O4' C A 8 -8.796 -1.008 20.202 1.00 0.00 O ATOM 232 C3' C A 8 -8.253 -1.704 22.339 1.00 0.00 C ATOM 233 O3' C A 8 -8.722 -2.082 23.616 1.00 0.00 O ATOM 234 C2' C A 8 -8.010 -2.885 21.449 1.00 0.00 C ATOM 235 O2' C A 8 -9.059 -3.821 21.586 1.00 0.00 O ATOM 236 C1' C A 8 -8.074 -2.244 20.067 1.00 0.00 C ATOM 237 N1 C A 8 -6.692 -1.994 19.599 1.00 0.00 N ATOM 238 C2 C A 8 -6.029 -3.042 18.969 1.00 0.00 C ATOM 239 O2 C A 8 -6.612 -4.101 18.746 1.00 0.00 O ATOM 240 N3 C A 8 -4.726 -2.861 18.616 1.00 0.00 N ATOM 241 C4 C A 8 -4.097 -1.707 18.879 1.00 0.00 C ATOM 242 N4 C A 8 -2.818 -1.570 18.514 1.00 0.00 N ATOM 243 C5 C A 8 -4.765 -0.631 19.549 1.00 0.00 C ATOM 244 C6 C A 8 -6.055 -0.821 19.882 1.00 0.00 C ATOM 0 H5' C A 8 -10.106 1.050 21.359 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.854 0.529 23.013 1.00 0.00 H new ATOM 0 H4' C A 8 -10.278 -1.367 21.637 1.00 0.00 H new ATOM 0 H3' C A 8 -7.360 -1.125 22.572 1.00 0.00 H new ATOM 0 H2' C A 8 -7.084 -3.419 21.660 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.401 -3.797 22.504 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.019 -2.572 24.091 1.00 0.00 H new ATOM 0 H1' C A 8 -8.575 -2.887 19.343 1.00 0.00 H new ATOM 0 H41 C A 8 -2.323 -0.699 18.706 1.00 0.00 H new ATOM 0 H42 C A 8 -2.337 -2.337 18.044 1.00 0.00 H new ATOM 0 H5 C A 8 -4.255 0.293 19.777 1.00 0.00 H new ATOM 0 H6 C A 8 -6.596 -0.031 20.382 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.059 -10.724 14.957 1.00 0.00 O ATOM 259 C5' G B 9 1.280 -11.880 15.173 1.00 0.00 C ATOM 260 C4' G B 9 -0.170 -11.484 15.457 1.00 0.00 C ATOM 261 O4' G B 9 -0.267 -10.667 16.616 1.00 0.00 O ATOM 262 C3' G B 9 -0.780 -10.652 14.350 1.00 0.00 C ATOM 263 O3' G B 9 -1.140 -11.430 13.224 1.00 0.00 O ATOM 264 C2' G B 9 -1.986 -10.088 15.065 1.00 0.00 C ATOM 265 O2' G B 9 -3.008 -11.062 15.109 1.00 0.00 O ATOM 266 C1' G B 9 -1.452 -9.867 16.485 1.00 0.00 C ATOM 267 N9 G B 9 -1.123 -8.441 16.690 1.00 0.00 N ATOM 268 C8 G B 9 0.090 -7.809 16.579 1.00 0.00 C ATOM 269 N7 G B 9 0.048 -6.533 16.841 1.00 0.00 N ATOM 270 C5 G B 9 -1.289 -6.296 17.147 1.00 0.00 C ATOM 271 C6 G B 9 -1.944 -5.084 17.516 1.00 0.00 C ATOM 272 O6 G B 9 -1.457 -3.964 17.648 1.00 0.00 O ATOM 273 N1 G B 9 -3.302 -5.284 17.739 1.00 0.00 N ATOM 274 C2 G B 9 -3.954 -6.493 17.617 1.00 0.00 C ATOM 275 N2 G B 9 -5.269 -6.495 17.859 1.00 0.00 N ATOM 276 N3 G B 9 -3.343 -7.632 17.272 1.00 0.00 N ATOM 277 C4 G B 9 -2.014 -7.460 17.053 1.00 0.00 C ATOM 0 H5' G B 9 1.682 -12.449 16.012 1.00 0.00 H new ATOM 0 H5'' G B 9 1.325 -12.528 14.298 1.00 0.00 H new ATOM 0 H4' G B 9 -0.693 -12.434 15.569 1.00 0.00 H new ATOM 0 H3' G B 9 -0.110 -9.903 13.928 1.00 0.00 H new ATOM 0 H2' G B 9 -2.397 -9.195 14.594 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.432 -11.131 14.228 1.00 0.00 H new ATOM 0 HO5' G B 9 1.688 -9.978 15.473 1.00 0.00 H new ATOM 0 H1' G B 9 -2.198 -10.148 17.228 1.00 0.00 H new ATOM 0 H8 G B 9 0.998 -8.323 16.300 1.00 0.00 H new ATOM 0 H1 G B 9 -3.858 -4.474 18.014 1.00 0.00 H new ATOM 0 H21 G B 9 -5.800 -7.362 17.783 1.00 0.00 H new ATOM 0 H22 G B 9 -5.741 -5.629 18.119 1.00 0.00 H new ATOM 290 P G B 10 -1.686 -10.726 11.882 1.00 0.00 P ATOM 291 OP1 G B 10 -1.935 -11.777 10.870 1.00 0.00 O ATOM 292 OP2 G B 10 -0.789 -9.593 11.562 1.00 0.00 O ATOM 293 O5' G B 10 -3.106 -10.131 12.350 1.00 0.00 O ATOM 294 C5' G B 10 -3.637 -8.972 11.747 1.00 0.00 C ATOM 295 C4' G B 10 -4.934 -8.581 12.455 1.00 0.00 C ATOM 296 O4' G B 10 -4.696 -8.300 13.839 1.00 0.00 O ATOM 297 C3' G B 10 -5.518 -7.307 11.872 1.00 0.00 C ATOM 298 O3' G B 10 -6.275 -7.542 10.698 1.00 0.00 O ATOM 299 C2' G B 10 -6.375 -6.852 13.026 1.00 0.00 C ATOM 300 O2' G B 10 -7.514 -7.680 13.134 1.00 0.00 O ATOM 301 C1' G B 10 -5.448 -7.135 14.202 1.00 0.00 C ATOM 302 N9 G B 10 -4.513 -6.002 14.390 1.00 0.00 N ATOM 303 C8 G B 10 -3.163 -5.959 14.152 1.00 0.00 C ATOM 304 N7 G B 10 -2.615 -4.806 14.407 1.00 0.00 N ATOM 305 C5 G B 10 -3.674 -4.024 14.853 1.00 0.00 C ATOM 306 C6 G B 10 -3.687 -2.666 15.283 1.00 0.00 C ATOM 307 O6 G B 10 -2.746 -1.879 15.343 1.00 0.00 O ATOM 308 N1 G B 10 -4.959 -2.260 15.667 1.00 0.00 N ATOM 309 C2 G B 10 -6.083 -3.058 15.643 1.00 0.00 C ATOM 310 N2 G B 10 -7.227 -2.495 16.049 1.00 0.00 N ATOM 311 N3 G B 10 -6.078 -4.334 15.235 1.00 0.00 N ATOM 312 C4 G B 10 -4.842 -4.749 14.855 1.00 0.00 C ATOM 0 H5' G B 10 -3.827 -9.154 10.689 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.917 -8.156 11.806 1.00 0.00 H new ATOM 0 H4' G B 10 -5.614 -9.423 12.326 1.00 0.00 H new ATOM 0 H3' G B 10 -4.776 -6.580 11.541 1.00 0.00 H new ATOM 0 H2' G B 10 -6.729 -5.824 12.947 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.743 -8.038 12.251 1.00 0.00 H new ATOM 0 H1' G B 10 -6.011 -7.277 15.125 1.00 0.00 H new ATOM 0 H8 G B 10 -2.604 -6.807 13.785 1.00 0.00 H new ATOM 0 H1 G B 10 -5.070 -1.299 15.991 1.00 0.00 H new ATOM 0 H21 G B 10 -8.090 -3.039 16.052 1.00 0.00 H new ATOM 0 H22 G B 10 -7.236 -1.522 16.355 1.00 0.00 H new ATOM 324 P A B 11 -6.535 -6.357 9.622 1.00 0.00 P ATOM 325 OP1 A B 11 -7.358 -6.911 8.524 1.00 0.00 O ATOM 326 OP2 A B 11 -5.230 -5.731 9.315 1.00 0.00 O ATOM 327 O5' A B 11 -7.429 -5.278 10.421 1.00 0.00 O ATOM 328 C5' A B 11 -8.783 -5.537 10.720 1.00 0.00 C ATOM 329 C4' A B 11 -9.378 -4.356 11.488 1.00 0.00 C ATOM 330 O4' A B 11 -8.634 -4.089 12.680 1.00 0.00 O ATOM 331 C3' A B 11 -9.364 -3.056 10.707 1.00 0.00 C ATOM 332 O3' A B 11 -10.444 -2.964 9.801 1.00 0.00 O ATOM 333 C2' A B 11 -9.487 -2.044 11.812 1.00 0.00 C ATOM 334 O2' A B 11 -10.823 -1.987 12.270 1.00 0.00 O ATOM 335 C1' A B 11 -8.609 -2.666 12.890 1.00 0.00 C ATOM 336 N9 A B 11 -7.221 -2.162 12.759 1.00 0.00 N ATOM 337 C8 A B 11 -6.088 -2.831 12.366 1.00 0.00 C ATOM 338 N7 A B 11 -5.003 -2.109 12.410 1.00 0.00 N ATOM 339 C5 A B 11 -5.448 -0.868 12.850 1.00 0.00 C ATOM 340 C6 A B 11 -4.784 0.346 13.105 1.00 0.00 C ATOM 341 N6 A B 11 -3.464 0.507 12.954 1.00 0.00 N ATOM 342 N1 A B 11 -5.530 1.391 13.510 1.00 0.00 N ATOM 343 C2 A B 11 -6.841 1.229 13.662 1.00 0.00 C ATOM 344 N3 A B 11 -7.576 0.142 13.470 1.00 0.00 N ATOM 345 C4 A B 11 -6.800 -0.887 13.055 1.00 0.00 C ATOM 0 H5' A B 11 -8.866 -6.448 11.313 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.343 -5.704 9.800 1.00 0.00 H new ATOM 0 H4' A B 11 -10.405 -4.660 11.693 1.00 0.00 H new ATOM 0 H3' A B 11 -8.481 -2.933 10.079 1.00 0.00 H new ATOM 0 H2' A B 11 -9.208 -1.031 11.523 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.422 -2.330 11.575 1.00 0.00 H new ATOM 0 H1' A B 11 -8.971 -2.411 13.886 1.00 0.00 H new ATOM 0 H8 A B 11 -6.095 -3.863 12.049 1.00 0.00 H new ATOM 0 H61 A B 11 -3.034 1.410 13.153 1.00 0.00 H new ATOM 0 H62 A B 11 -2.888 -0.274 12.640 1.00 0.00 H new ATOM 0 H2 A B 11 -7.383 2.105 13.987 1.00 0.00 H new ATOM 357 P U B 12 -10.185 -2.674 8.245 1.00 0.00 P ATOM 358 OP1 U B 12 -11.466 -2.816 7.519 1.00 0.00 O ATOM 359 OP2 U B 12 -8.997 -3.441 7.813 1.00 0.00 O ATOM 360 O5' U B 12 -9.801 -1.113 8.299 1.00 0.00 O ATOM 361 C5' U B 12 -10.782 -0.149 8.626 1.00 0.00 C ATOM 362 C4' U B 12 -10.121 1.203 8.893 1.00 0.00 C ATOM 363 O4' U B 12 -9.251 1.132 10.020 1.00 0.00 O ATOM 364 C3' U B 12 -9.255 1.676 7.744 1.00 0.00 C ATOM 365 O3' U B 12 -10.024 2.230 6.692 1.00 0.00 O ATOM 366 C2' U B 12 -8.415 2.715 8.451 1.00 0.00 C ATOM 367 O2' U B 12 -9.170 3.893 8.639 1.00 0.00 O ATOM 368 C1' U B 12 -8.182 2.067 9.817 1.00 0.00 C ATOM 369 N1 U B 12 -6.874 1.367 9.838 1.00 0.00 N ATOM 370 C2 U B 12 -5.748 2.148 10.045 1.00 0.00 C ATOM 371 O2 U B 12 -5.824 3.363 10.208 1.00 0.00 O ATOM 372 N3 U B 12 -4.531 1.484 10.063 1.00 0.00 N ATOM 373 C4 U B 12 -4.348 0.121 9.885 1.00 0.00 C ATOM 374 O4 U B 12 -3.221 -0.365 9.906 1.00 0.00 O ATOM 375 C5 U B 12 -5.578 -0.620 9.691 1.00 0.00 C ATOM 376 C6 U B 12 -6.777 0.008 9.677 1.00 0.00 C ATOM 0 H5' U B 12 -11.340 -0.470 9.506 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.499 -0.057 7.810 1.00 0.00 H new ATOM 0 H4' U B 12 -10.951 1.892 9.051 1.00 0.00 H new ATOM 0 H3' U B 12 -8.683 0.891 7.249 1.00 0.00 H new ATOM 0 H2' U B 12 -7.507 2.983 7.911 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.582 4.612 8.950 1.00 0.00 H new ATOM 0 H1' U B 12 -8.165 2.817 10.607 1.00 0.00 H new ATOM 0 H3 U B 12 -3.696 2.048 10.221 1.00 0.00 H new ATOM 0 H5 U B 12 -5.537 -1.691 9.555 1.00 0.00 H new ATOM 0 H6 U B 12 -7.676 -0.573 9.536 1.00 0.00 H new ATOM 387 P G B 13 -9.336 2.631 5.288 1.00 0.00 P ATOM 388 OP1 G B 13 -10.405 3.054 4.356 1.00 0.00 O ATOM 389 OP2 G B 13 -8.415 1.540 4.902 1.00 0.00 O ATOM 390 O5' G B 13 -8.453 3.926 5.657 1.00 0.00 O ATOM 391 C5' G B 13 -9.061 5.186 5.867 1.00 0.00 C ATOM 392 C4' G B 13 -7.981 6.215 6.208 1.00 0.00 C ATOM 393 O4' G B 13 -7.262 5.841 7.377 1.00 0.00 O ATOM 394 C3' G B 13 -6.930 6.309 5.123 1.00 0.00 C ATOM 395 O3' G B 13 -7.363 7.086 4.017 1.00 0.00 O ATOM 396 C2' G B 13 -5.810 6.980 5.879 1.00 0.00 C ATOM 397 O2' G B 13 -6.013 8.378 5.897 1.00 0.00 O ATOM 398 C1' G B 13 -5.963 6.438 7.294 1.00 0.00 C ATOM 399 N9 G B 13 -4.908 5.441 7.548 1.00 0.00 N ATOM 400 C8 G B 13 -4.967 4.081 7.442 1.00 0.00 C ATOM 401 N7 G B 13 -3.841 3.476 7.709 1.00 0.00 N ATOM 402 C5 G B 13 -2.967 4.518 8.008 1.00 0.00 C ATOM 403 C6 G B 13 -1.585 4.489 8.369 1.00 0.00 C ATOM 404 O6 G B 13 -0.847 3.516 8.517 1.00 0.00 O ATOM 405 N1 G B 13 -1.085 5.766 8.560 1.00 0.00 N ATOM 406 C2 G B 13 -1.805 6.931 8.435 1.00 0.00 C ATOM 407 N2 G B 13 -1.145 8.070 8.668 1.00 0.00 N ATOM 408 N3 G B 13 -3.099 6.966 8.104 1.00 0.00 N ATOM 409 C4 G B 13 -3.614 5.726 7.905 1.00 0.00 C ATOM 0 H5' G B 13 -9.788 5.122 6.677 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.605 5.494 4.974 1.00 0.00 H new ATOM 0 H4' G B 13 -8.514 7.157 6.335 1.00 0.00 H new ATOM 0 H3' G B 13 -6.666 5.353 4.672 1.00 0.00 H new ATOM 0 H2' G B 13 -4.830 6.792 5.441 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.783 8.604 5.334 1.00 0.00 H new ATOM 0 H1' G B 13 -5.866 7.226 8.041 1.00 0.00 H new ATOM 0 H8 G B 13 -5.866 3.552 7.162 1.00 0.00 H new ATOM 0 H1 G B 13 -0.101 5.850 8.815 1.00 0.00 H new ATOM 0 H21 G B 13 -1.629 8.965 8.590 1.00 0.00 H new ATOM 0 H22 G B 13 -0.158 8.044 8.924 1.00 0.00 H new ATOM 421 P U B 14 -6.556 7.062 2.614 1.00 0.00 P ATOM 422 OP1 U B 14 -7.291 7.912 1.650 1.00 0.00 O ATOM 423 OP2 U B 14 -6.279 5.648 2.278 1.00 0.00 O ATOM 424 O5' U B 14 -5.145 7.781 2.937 1.00 0.00 O ATOM 425 C5' U B 14 -5.027 9.191 2.973 1.00 0.00 C ATOM 426 C4' U B 14 -3.558 9.588 3.201 1.00 0.00 C ATOM 427 O4' U B 14 -3.077 9.142 4.476 1.00 0.00 O ATOM 428 C3' U B 14 -2.617 8.965 2.182 1.00 0.00 C ATOM 429 O3' U B 14 -2.603 9.639 0.941 1.00 0.00 O ATOM 430 C2' U B 14 -1.306 9.127 2.903 1.00 0.00 C ATOM 431 O2' U B 14 -0.891 10.477 2.850 1.00 0.00 O ATOM 432 C1' U B 14 -1.683 8.797 4.333 1.00 0.00 C ATOM 433 N1 U B 14 -1.484 7.352 4.612 1.00 0.00 N ATOM 434 C2 U B 14 -0.260 6.961 5.137 1.00 0.00 C ATOM 435 O2 U B 14 0.663 7.753 5.315 1.00 0.00 O ATOM 436 N3 U B 14 -0.133 5.620 5.455 1.00 0.00 N ATOM 437 C4 U B 14 -1.107 4.648 5.298 1.00 0.00 C ATOM 438 O4 U B 14 -0.877 3.480 5.597 1.00 0.00 O ATOM 439 C5 U B 14 -2.355 5.147 4.765 1.00 0.00 C ATOM 440 C6 U B 14 -2.497 6.451 4.439 1.00 0.00 C ATOM 0 H5' U B 14 -5.650 9.597 3.770 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.387 9.619 2.037 1.00 0.00 H new ATOM 0 H4' U B 14 -3.558 10.675 3.122 1.00 0.00 H new ATOM 0 H3' U B 14 -2.886 7.946 1.905 1.00 0.00 H new ATOM 0 H2' U B 14 -0.504 8.516 2.489 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.419 10.955 2.177 1.00 0.00 H new ATOM 0 H1' U B 14 -1.059 9.349 5.036 1.00 0.00 H new ATOM 0 H3 U B 14 0.762 5.319 5.841 1.00 0.00 H new ATOM 0 H5 U B 14 -3.184 4.469 4.626 1.00 0.00 H new ATOM 0 H6 U B 14 -3.437 6.790 4.030 1.00 0.00 H new ATOM 451 P C B 15 -1.900 8.963 -0.351 1.00 0.00 P ATOM 452 OP1 C B 15 -1.931 9.946 -1.457 1.00 0.00 O ATOM 453 OP2 C B 15 -2.502 7.626 -0.544 1.00 0.00 O ATOM 454 O5' C B 15 -0.356 8.754 0.093 1.00 0.00 O ATOM 455 C5' C B 15 0.554 9.836 0.109 1.00 0.00 C ATOM 456 C4' C B 15 1.954 9.341 0.504 1.00 0.00 C ATOM 457 O4' C B 15 1.979 8.758 1.813 1.00 0.00 O ATOM 458 C3' C B 15 2.452 8.245 -0.411 1.00 0.00 C ATOM 459 O3' C B 15 2.880 8.743 -1.666 1.00 0.00 O ATOM 460 C2' C B 15 3.599 7.713 0.417 1.00 0.00 C ATOM 461 O2' C B 15 4.698 8.594 0.328 1.00 0.00 O ATOM 462 C1' C B 15 3.038 7.776 1.839 1.00 0.00 C ATOM 463 N1 C B 15 2.521 6.439 2.244 1.00 0.00 N ATOM 464 C2 C B 15 3.458 5.471 2.599 1.00 0.00 C ATOM 465 O2 C B 15 4.659 5.733 2.581 1.00 0.00 O ATOM 466 N3 C B 15 3.008 4.237 2.962 1.00 0.00 N ATOM 467 C4 C B 15 1.697 3.959 2.973 1.00 0.00 C ATOM 468 N4 C B 15 1.297 2.737 3.338 1.00 0.00 N ATOM 469 C5 C B 15 0.723 4.942 2.612 1.00 0.00 C ATOM 470 C6 C B 15 1.180 6.163 2.263 1.00 0.00 C ATOM 0 H5' C B 15 0.216 10.596 0.814 1.00 0.00 H new ATOM 0 H5'' C B 15 0.590 10.306 -0.874 1.00 0.00 H new ATOM 0 H4' C B 15 2.577 10.234 0.448 1.00 0.00 H new ATOM 0 H3' C B 15 1.702 7.503 -0.685 1.00 0.00 H new ATOM 0 H2' C B 15 3.936 6.724 0.107 1.00 0.00 H new ATOM 0 HO2' C B 15 5.440 8.247 0.867 1.00 0.00 H new ATOM 0 H1' C B 15 3.803 8.054 2.564 1.00 0.00 H new ATOM 0 H41 C B 15 0.303 2.509 3.352 1.00 0.00 H new ATOM 0 H42 C B 15 1.986 2.033 3.603 1.00 0.00 H new ATOM 0 H5 C B 15 -0.333 4.717 2.618 1.00 0.00 H new ATOM 0 H6 C B 15 0.475 6.936 1.994 1.00 0.00 H new ATOM 482 P C B 16 3.181 7.739 -2.893 1.00 0.00 P ATOM 483 OP1 C B 16 3.585 8.550 -4.064 1.00 0.00 O ATOM 484 OP2 C B 16 2.040 6.805 -3.007 1.00 0.00 O ATOM 485 O5' C B 16 4.464 6.899 -2.403 1.00 0.00 O ATOM 486 C5' C B 16 5.760 7.459 -2.433 1.00 0.00 C ATOM 487 C4' C B 16 6.770 6.413 -1.956 1.00 0.00 C ATOM 488 O4' C B 16 6.512 6.010 -0.619 1.00 0.00 O ATOM 489 C3' C B 16 6.682 5.134 -2.756 1.00 0.00 C ATOM 490 O3' C B 16 7.295 5.237 -4.023 1.00 0.00 O ATOM 491 C2' C B 16 7.400 4.173 -1.859 1.00 0.00 C ATOM 492 O2' C B 16 8.798 4.329 -1.999 1.00 0.00 O ATOM 493 C1' C B 16 6.964 4.653 -0.480 1.00 0.00 C ATOM 494 N1 C B 16 5.864 3.783 -0.003 1.00 0.00 N ATOM 495 C2 C B 16 6.211 2.606 0.653 1.00 0.00 C ATOM 496 O2 C B 16 7.390 2.352 0.888 1.00 0.00 O ATOM 497 N3 C B 16 5.215 1.752 1.017 1.00 0.00 N ATOM 498 C4 C B 16 3.934 2.034 0.743 1.00 0.00 C ATOM 499 N4 C B 16 2.987 1.168 1.119 1.00 0.00 N ATOM 500 C5 C B 16 3.567 3.233 0.051 1.00 0.00 C ATOM 501 C6 C B 16 4.562 4.071 -0.296 1.00 0.00 C ATOM 0 H5' C B 16 5.803 8.341 -1.795 1.00 0.00 H new ATOM 0 H5'' C B 16 6.005 7.785 -3.444 1.00 0.00 H new ATOM 0 H4' C B 16 7.742 6.895 -2.064 1.00 0.00 H new ATOM 0 H3' C B 16 5.660 4.842 -2.998 1.00 0.00 H new ATOM 0 H2' C B 16 7.180 3.125 -2.062 1.00 0.00 H new ATOM 0 HO2' C B 16 9.002 4.660 -2.899 1.00 0.00 H new ATOM 0 HO3' C B 16 7.211 4.384 -4.497 1.00 0.00 H new ATOM 0 H1' C B 16 7.781 4.608 0.240 1.00 0.00 H new ATOM 0 H41 C B 16 2.007 1.366 0.919 1.00 0.00 H new ATOM 0 H42 C B 16 3.245 0.310 1.606 1.00 0.00 H new ATOM 0 H5 C B 16 2.536 3.455 -0.182 1.00 0.00 H new ATOM 0 H6 C B 16 4.326 4.988 -0.816 1.00 0.00 H new TER 514 C B 16