USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -13:sc= 0.344 USER MOD Single : A 1 G O5' : rot -10:sc= 0.226! USER MOD Single : A 2 G O2' : rot -28:sc= 0.318 USER MOD Single : A 3 U O2' : rot -11:sc= 0.287 USER MOD Single : A 4 U O2' : rot 2:sc= 0.16 USER MOD Single : A 5 C O2' : rot -8:sc= 0.367 USER MOD Single : A 6 A O2' : rot -14:sc= 0.363 USER MOD Single : A 7 G O2' : rot 20:sc= 0.26 USER MOD Single : A 8 A O2' : rot -149:sc= -6.34! USER MOD Single : A 9 A O2' : rot -5:sc= 0.574 USER MOD Single : A 10 G O2' : rot -27:sc= 0.273 USER MOD Single : A 11 A O2' : rot -24:sc= 0.327 USER MOD Single : A 12 A O2' : rot -16:sc= 0.361 USER MOD Single : A 13 C O2' : rot -112:sc= 0.667 USER MOD Single : A 14 C O2' : rot -27:sc= 0.223 USER MOD Single : A 14 C O3' : rot 180:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.659 -6.375 -9.567 1.00 0.00 O ATOM 2 C5' G A 1 -5.027 -6.500 -9.962 1.00 0.00 C ATOM 3 C4' G A 1 -5.776 -7.500 -9.087 1.00 0.00 C ATOM 4 O4' G A 1 -5.042 -8.722 -8.945 1.00 0.00 O ATOM 5 C3' G A 1 -5.963 -6.959 -7.678 1.00 0.00 C ATOM 6 O3' G A 1 -7.255 -6.354 -7.593 1.00 0.00 O ATOM 7 C2' G A 1 -5.964 -8.212 -6.823 1.00 0.00 C ATOM 8 O2' G A 1 -7.266 -8.806 -6.761 1.00 0.00 O ATOM 9 C1' G A 1 -4.976 -9.105 -7.563 1.00 0.00 C ATOM 10 N9 G A 1 -3.613 -8.933 -7.029 1.00 0.00 N ATOM 11 C8 G A 1 -2.520 -8.379 -7.610 1.00 0.00 C ATOM 12 N7 G A 1 -1.431 -8.338 -6.918 1.00 0.00 N ATOM 13 C5 G A 1 -1.832 -8.937 -5.720 1.00 0.00 C ATOM 14 C6 G A 1 -1.087 -9.193 -4.539 1.00 0.00 C ATOM 15 O6 G A 1 0.093 -8.938 -4.309 1.00 0.00 O ATOM 16 N1 G A 1 -1.866 -9.811 -3.570 1.00 0.00 N ATOM 17 C2 G A 1 -3.198 -10.145 -3.713 1.00 0.00 C ATOM 18 N2 G A 1 -3.773 -10.736 -2.664 1.00 0.00 N ATOM 19 N3 G A 1 -3.906 -9.907 -4.821 1.00 0.00 N ATOM 20 C4 G A 1 -3.167 -9.305 -5.780 1.00 0.00 C ATOM 0 H5' G A 1 -5.078 -6.818 -11.003 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.514 -5.527 -9.901 1.00 0.00 H new ATOM 0 H4' G A 1 -6.734 -7.672 -9.579 1.00 0.00 H new ATOM 0 H3' G A 1 -5.209 -6.228 -7.386 1.00 0.00 H new ATOM 0 H2' G A 1 -5.695 -8.031 -5.782 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.930 -8.177 -7.113 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.523 -6.830 -8.710 1.00 0.00 H new ATOM 0 H1' G A 1 -5.226 -10.159 -7.438 1.00 0.00 H new ATOM 0 H8 G A 1 -2.559 -7.986 -8.615 1.00 0.00 H new ATOM 0 H1 G A 1 -1.418 -10.036 -2.682 1.00 0.00 H new ATOM 0 H21 G A 1 -4.755 -11.008 -2.707 1.00 0.00 H new ATOM 0 H22 G A 1 -3.230 -10.916 -1.819 1.00 0.00 H new ATOM 33 P G A 2 -7.444 -4.934 -6.861 1.00 0.00 P ATOM 34 OP1 G A 2 -8.616 -4.255 -7.459 1.00 0.00 O ATOM 35 OP2 G A 2 -6.131 -4.250 -6.830 1.00 0.00 O ATOM 36 O5' G A 2 -7.822 -5.363 -5.356 1.00 0.00 O ATOM 37 C5' G A 2 -9.173 -5.683 -5.015 1.00 0.00 C ATOM 38 C4' G A 2 -9.265 -6.369 -3.656 1.00 0.00 C ATOM 39 O4' G A 2 -8.311 -7.430 -3.538 1.00 0.00 O ATOM 40 C3' G A 2 -8.937 -5.403 -2.531 1.00 0.00 C ATOM 41 O3' G A 2 -10.152 -4.801 -2.080 1.00 0.00 O ATOM 42 C2' G A 2 -8.421 -6.322 -1.442 1.00 0.00 C ATOM 43 O2' G A 2 -9.493 -6.895 -0.682 1.00 0.00 O ATOM 44 C1' G A 2 -7.677 -7.380 -2.249 1.00 0.00 C ATOM 45 N9 G A 2 -6.252 -7.028 -2.370 1.00 0.00 N ATOM 46 C8 G A 2 -5.565 -6.550 -3.436 1.00 0.00 C ATOM 47 N7 G A 2 -4.308 -6.304 -3.276 1.00 0.00 N ATOM 48 C5 G A 2 -4.118 -6.659 -1.937 1.00 0.00 C ATOM 49 C6 G A 2 -2.941 -6.620 -1.142 1.00 0.00 C ATOM 50 O6 G A 2 -1.813 -6.259 -1.467 1.00 0.00 O ATOM 51 N1 G A 2 -3.187 -7.064 0.152 1.00 0.00 N ATOM 52 C2 G A 2 -4.409 -7.492 0.627 1.00 0.00 C ATOM 53 N2 G A 2 -4.441 -7.881 1.903 1.00 0.00 N ATOM 54 N3 G A 2 -5.520 -7.531 -0.112 1.00 0.00 N ATOM 55 C4 G A 2 -5.305 -7.104 -1.377 1.00 0.00 C ATOM 0 H5' G A 2 -9.597 -6.333 -5.780 1.00 0.00 H new ATOM 0 H5'' G A 2 -9.771 -4.772 -5.004 1.00 0.00 H new ATOM 0 H4' G A 2 -10.286 -6.743 -3.582 1.00 0.00 H new ATOM 0 H3' G A 2 -8.240 -4.614 -2.813 1.00 0.00 H new ATOM 0 H2' G A 2 -7.801 -5.819 -0.700 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.260 -6.285 -0.687 1.00 0.00 H new ATOM 0 H1' G A 2 -7.719 -8.354 -1.761 1.00 0.00 H new ATOM 0 H8 G A 2 -6.052 -6.381 -4.385 1.00 0.00 H new ATOM 0 H1 G A 2 -2.401 -7.074 0.802 1.00 0.00 H new ATOM 0 H21 G A 2 -5.315 -8.209 2.315 1.00 0.00 H new ATOM 0 H22 G A 2 -3.592 -7.851 2.467 1.00 0.00 H new ATOM 67 P U A 3 -10.238 -3.207 -1.872 1.00 0.00 P ATOM 68 OP1 U A 3 -11.667 -2.821 -1.844 1.00 0.00 O ATOM 69 OP2 U A 3 -9.319 -2.563 -2.838 1.00 0.00 O ATOM 70 O5' U A 3 -9.633 -3.013 -0.394 1.00 0.00 O ATOM 71 C5' U A 3 -10.486 -3.088 0.750 1.00 0.00 C ATOM 72 C4' U A 3 -9.693 -3.309 2.035 1.00 0.00 C ATOM 73 O4' U A 3 -8.689 -4.315 1.871 1.00 0.00 O ATOM 74 C3' U A 3 -8.933 -2.059 2.436 1.00 0.00 C ATOM 75 O3' U A 3 -9.777 -1.252 3.260 1.00 0.00 O ATOM 76 C2' U A 3 -7.812 -2.619 3.292 1.00 0.00 C ATOM 77 O2' U A 3 -8.236 -2.821 4.646 1.00 0.00 O ATOM 78 C1' U A 3 -7.504 -3.945 2.600 1.00 0.00 C ATOM 79 N1 U A 3 -6.346 -3.802 1.698 1.00 0.00 N ATOM 80 C2 U A 3 -5.092 -3.767 2.277 1.00 0.00 C ATOM 81 O2 U A 3 -4.931 -3.861 3.492 1.00 0.00 O ATOM 82 N3 U A 3 -4.025 -3.622 1.408 1.00 0.00 N ATOM 83 C4 U A 3 -4.105 -3.508 0.031 1.00 0.00 C ATOM 84 O4 U A 3 -3.089 -3.381 -0.647 1.00 0.00 O ATOM 85 C5 U A 3 -5.454 -3.554 -0.487 1.00 0.00 C ATOM 86 C6 U A 3 -6.515 -3.696 0.345 1.00 0.00 C ATOM 0 H5' U A 3 -11.199 -3.902 0.619 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.064 -2.168 0.833 1.00 0.00 H new ATOM 0 H4' U A 3 -10.432 -3.596 2.783 1.00 0.00 H new ATOM 0 H3' U A 3 -8.594 -1.455 1.594 1.00 0.00 H new ATOM 0 H2' U A 3 -6.950 -1.956 3.367 1.00 0.00 H new ATOM 0 HO2' U A 3 -9.106 -2.392 4.784 1.00 0.00 H new ATOM 0 H1' U A 3 -7.243 -4.717 3.324 1.00 0.00 H new ATOM 0 H3 U A 3 -3.093 -3.597 1.821 1.00 0.00 H new ATOM 0 H5 U A 3 -5.619 -3.474 -1.551 1.00 0.00 H new ATOM 0 H6 U A 3 -7.512 -3.726 -0.068 1.00 0.00 H new ATOM 97 P U A 4 -9.695 0.354 3.177 1.00 0.00 P ATOM 98 OP1 U A 4 -10.714 0.917 4.090 1.00 0.00 O ATOM 99 OP2 U A 4 -9.689 0.743 1.749 1.00 0.00 O ATOM 100 O5' U A 4 -8.240 0.665 3.792 1.00 0.00 O ATOM 101 C5' U A 4 -8.042 0.662 5.207 1.00 0.00 C ATOM 102 C4' U A 4 -6.602 1.012 5.579 1.00 0.00 C ATOM 103 O4' U A 4 -5.679 0.048 5.078 1.00 0.00 O ATOM 104 C3' U A 4 -6.170 2.322 4.952 1.00 0.00 C ATOM 105 O3' U A 4 -6.526 3.392 5.832 1.00 0.00 O ATOM 106 C2' U A 4 -4.656 2.199 4.934 1.00 0.00 C ATOM 107 O2' U A 4 -4.079 2.670 6.157 1.00 0.00 O ATOM 108 C1' U A 4 -4.436 0.696 4.754 1.00 0.00 C ATOM 109 N1 U A 4 -4.020 0.395 3.372 1.00 0.00 N ATOM 110 C2 U A 4 -2.678 0.524 3.072 1.00 0.00 C ATOM 111 O2 U A 4 -1.850 0.863 3.914 1.00 0.00 O ATOM 112 N3 U A 4 -2.318 0.248 1.766 1.00 0.00 N ATOM 113 C4 U A 4 -3.173 -0.139 0.747 1.00 0.00 C ATOM 114 O4 U A 4 -2.742 -0.359 -0.382 1.00 0.00 O ATOM 115 C5 U A 4 -4.556 -0.248 1.150 1.00 0.00 C ATOM 116 C6 U A 4 -4.933 0.018 2.425 1.00 0.00 C ATOM 0 H5' U A 4 -8.292 -0.321 5.607 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.721 1.377 5.671 1.00 0.00 H new ATOM 0 H4' U A 4 -6.591 1.056 6.668 1.00 0.00 H new ATOM 0 H3' U A 4 -6.614 2.512 3.975 1.00 0.00 H new ATOM 0 H2' U A 4 -4.186 2.797 4.153 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.792 2.951 6.768 1.00 0.00 H new ATOM 0 H1' U A 4 -3.640 0.336 5.406 1.00 0.00 H new ATOM 0 H3 U A 4 -1.330 0.338 1.531 1.00 0.00 H new ATOM 0 H5 U A 4 -5.300 -0.545 0.426 1.00 0.00 H new ATOM 0 H6 U A 4 -5.974 -0.069 2.698 1.00 0.00 H new ATOM 127 P C A 5 -6.487 4.916 5.315 1.00 0.00 P ATOM 128 OP1 C A 5 -6.986 5.787 6.403 1.00 0.00 O ATOM 129 OP2 C A 5 -7.121 4.969 3.979 1.00 0.00 O ATOM 130 O5' C A 5 -4.909 5.188 5.136 1.00 0.00 O ATOM 131 C5' C A 5 -4.134 5.683 6.232 1.00 0.00 C ATOM 132 C4' C A 5 -2.663 5.856 5.857 1.00 0.00 C ATOM 133 O4' C A 5 -2.183 4.756 5.091 1.00 0.00 O ATOM 134 C3' C A 5 -2.457 7.071 4.972 1.00 0.00 C ATOM 135 O3' C A 5 -2.213 8.202 5.812 1.00 0.00 O ATOM 136 C2' C A 5 -1.171 6.740 4.226 1.00 0.00 C ATOM 137 O2' C A 5 -0.024 7.241 4.921 1.00 0.00 O ATOM 138 C1' C A 5 -1.170 5.210 4.178 1.00 0.00 C ATOM 139 N1 C A 5 -1.440 4.727 2.810 1.00 0.00 N ATOM 140 C2 C A 5 -0.357 4.584 1.957 1.00 0.00 C ATOM 141 O2 C A 5 0.775 4.866 2.346 1.00 0.00 O ATOM 142 N3 C A 5 -0.585 4.131 0.695 1.00 0.00 N ATOM 143 C4 C A 5 -1.825 3.830 0.287 1.00 0.00 C ATOM 144 N4 C A 5 -2.014 3.388 -0.956 1.00 0.00 N ATOM 145 C5 C A 5 -2.945 3.977 1.163 1.00 0.00 C ATOM 146 C6 C A 5 -2.708 4.426 2.409 1.00 0.00 C ATOM 0 H5' C A 5 -4.216 4.996 7.074 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.540 6.640 6.561 1.00 0.00 H new ATOM 0 H4' C A 5 -2.133 5.948 6.805 1.00 0.00 H new ATOM 0 H3' C A 5 -3.301 7.289 4.318 1.00 0.00 H new ATOM 0 H2' C A 5 -1.126 7.193 3.236 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.315 7.806 5.667 1.00 0.00 H new ATOM 0 H1' C A 5 -0.194 4.818 4.464 1.00 0.00 H new ATOM 0 H41 C A 5 -2.954 3.156 -1.277 1.00 0.00 H new ATOM 0 H42 C A 5 -1.219 3.282 -1.586 1.00 0.00 H new ATOM 0 H5 C A 5 -3.946 3.736 0.836 1.00 0.00 H new ATOM 0 H6 C A 5 -3.530 4.549 3.098 1.00 0.00 H new ATOM 158 P A A 6 -2.274 9.696 5.212 1.00 0.00 P ATOM 159 OP1 A A 6 -1.420 10.566 6.051 1.00 0.00 O ATOM 160 OP2 A A 6 -3.693 10.048 4.989 1.00 0.00 O ATOM 161 O5' A A 6 -1.565 9.527 3.777 1.00 0.00 O ATOM 162 C5' A A 6 -0.615 10.491 3.316 1.00 0.00 C ATOM 163 C4' A A 6 0.211 9.949 2.153 1.00 0.00 C ATOM 164 O4' A A 6 -0.030 8.555 1.954 1.00 0.00 O ATOM 165 C3' A A 6 -0.173 10.618 0.846 1.00 0.00 C ATOM 166 O3' A A 6 0.685 11.743 0.644 1.00 0.00 O ATOM 167 C2' A A 6 0.167 9.567 -0.197 1.00 0.00 C ATOM 168 O2' A A 6 1.519 9.699 -0.652 1.00 0.00 O ATOM 169 C1' A A 6 -0.044 8.251 0.550 1.00 0.00 C ATOM 170 N9 A A 6 -1.319 7.617 0.154 1.00 0.00 N ATOM 171 C8 A A 6 -2.501 7.547 0.818 1.00 0.00 C ATOM 172 N7 A A 6 -3.469 6.911 0.246 1.00 0.00 N ATOM 173 C5 A A 6 -2.869 6.501 -0.949 1.00 0.00 C ATOM 174 C6 A A 6 -3.341 5.769 -2.046 1.00 0.00 C ATOM 175 N6 A A 6 -4.583 5.291 -2.127 1.00 0.00 N ATOM 176 N1 A A 6 -2.482 5.546 -3.057 1.00 0.00 N ATOM 177 C2 A A 6 -1.235 6.015 -2.998 1.00 0.00 C ATOM 178 N3 A A 6 -0.687 6.718 -2.013 1.00 0.00 N ATOM 179 C4 A A 6 -1.564 6.928 -1.012 1.00 0.00 C ATOM 0 H5' A A 6 0.048 10.771 4.135 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.136 11.396 3.003 1.00 0.00 H new ATOM 0 H4' A A 6 1.252 10.143 2.411 1.00 0.00 H new ATOM 0 H3' A A 6 -1.210 10.951 0.814 1.00 0.00 H new ATOM 0 H2' A A 6 -0.443 9.648 -1.097 1.00 0.00 H new ATOM 0 HO2' A A 6 1.874 10.569 -0.374 1.00 0.00 H new ATOM 0 H1' A A 6 0.745 7.540 0.307 1.00 0.00 H new ATOM 0 H8 A A 6 -2.627 8.006 1.788 1.00 0.00 H new ATOM 0 H61 A A 6 -4.874 4.764 -2.950 1.00 0.00 H new ATOM 0 H62 A A 6 -5.242 5.452 -1.366 1.00 0.00 H new ATOM 0 H2 A A 6 -0.600 5.799 -3.845 1.00 0.00 H new ATOM 191 P G A 7 0.174 13.020 -0.195 1.00 0.00 P ATOM 192 OP1 G A 7 1.361 13.749 -0.696 1.00 0.00 O ATOM 193 OP2 G A 7 -0.841 13.730 0.614 1.00 0.00 O ATOM 194 O5' G A 7 -0.569 12.341 -1.453 1.00 0.00 O ATOM 195 C5' G A 7 0.146 12.084 -2.663 1.00 0.00 C ATOM 196 C4' G A 7 -0.690 11.279 -3.655 1.00 0.00 C ATOM 197 O4' G A 7 -1.350 10.186 -3.008 1.00 0.00 O ATOM 198 C3' G A 7 -1.789 12.140 -4.284 1.00 0.00 C ATOM 199 O3' G A 7 -1.848 11.825 -5.678 1.00 0.00 O ATOM 200 C2' G A 7 -3.070 11.639 -3.635 1.00 0.00 C ATOM 201 O2' G A 7 -4.191 11.760 -4.518 1.00 0.00 O ATOM 202 C1' G A 7 -2.730 10.186 -3.363 1.00 0.00 C ATOM 203 N9 G A 7 -3.559 9.624 -2.282 1.00 0.00 N ATOM 204 C8 G A 7 -4.273 8.476 -2.264 1.00 0.00 C ATOM 205 N7 G A 7 -4.915 8.186 -1.182 1.00 0.00 N ATOM 206 C5 G A 7 -4.596 9.274 -0.362 1.00 0.00 C ATOM 207 C6 G A 7 -4.994 9.553 0.974 1.00 0.00 C ATOM 208 O6 G A 7 -5.717 8.886 1.710 1.00 0.00 O ATOM 209 N1 G A 7 -4.452 10.750 1.426 1.00 0.00 N ATOM 210 C2 G A 7 -3.629 11.579 0.690 1.00 0.00 C ATOM 211 N2 G A 7 -3.210 12.687 1.301 1.00 0.00 N ATOM 212 N3 G A 7 -3.249 11.322 -0.566 1.00 0.00 N ATOM 213 C4 G A 7 -3.765 10.161 -1.030 1.00 0.00 C ATOM 0 H5' G A 7 1.063 11.540 -2.435 1.00 0.00 H new ATOM 0 H5'' G A 7 0.441 13.029 -3.119 1.00 0.00 H new ATOM 0 H4' G A 7 0.004 10.921 -4.415 1.00 0.00 H new ATOM 0 H3' G A 7 -1.629 13.210 -4.152 1.00 0.00 H new ATOM 0 H2' G A 7 -3.362 12.199 -2.746 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.873 11.835 -5.442 1.00 0.00 H new ATOM 0 H1' G A 7 -2.927 9.561 -4.234 1.00 0.00 H new ATOM 0 H8 G A 7 -4.305 7.824 -3.125 1.00 0.00 H new ATOM 0 H1 G A 7 -4.680 11.039 2.377 1.00 0.00 H new ATOM 0 H21 G A 7 -2.599 13.340 0.810 1.00 0.00 H new ATOM 0 H22 G A 7 -3.500 12.882 2.259 1.00 0.00 H new ATOM 225 P A A 8 -1.635 12.967 -6.791 1.00 0.00 P ATOM 226 OP1 A A 8 -0.637 13.933 -6.280 1.00 0.00 O ATOM 227 OP2 A A 8 -2.967 13.443 -7.226 1.00 0.00 O ATOM 228 O5' A A 8 -0.969 12.148 -8.009 1.00 0.00 O ATOM 229 C5' A A 8 -1.335 10.787 -8.256 1.00 0.00 C ATOM 230 C4' A A 8 -0.308 10.078 -9.138 1.00 0.00 C ATOM 231 O4' A A 8 1.019 10.581 -8.899 1.00 0.00 O ATOM 232 C3' A A 8 -0.241 8.585 -8.813 1.00 0.00 C ATOM 233 O3' A A 8 0.188 7.890 -9.990 1.00 0.00 O ATOM 234 C2' A A 8 0.881 8.519 -7.804 1.00 0.00 C ATOM 235 O2' A A 8 1.444 7.207 -7.723 1.00 0.00 O ATOM 236 C1' A A 8 1.847 9.517 -8.410 1.00 0.00 C ATOM 237 N9 A A 8 2.823 9.996 -7.417 1.00 0.00 N ATOM 238 C8 A A 8 2.624 10.509 -6.180 1.00 0.00 C ATOM 239 N7 A A 8 3.669 10.860 -5.505 1.00 0.00 N ATOM 240 C5 A A 8 4.699 10.544 -6.398 1.00 0.00 C ATOM 241 C6 A A 8 6.092 10.662 -6.322 1.00 0.00 C ATOM 242 N6 A A 8 6.726 11.154 -5.259 1.00 0.00 N ATOM 243 N1 A A 8 6.807 10.253 -7.387 1.00 0.00 N ATOM 244 C2 A A 8 6.192 9.756 -8.462 1.00 0.00 C ATOM 245 N3 A A 8 4.885 9.601 -8.639 1.00 0.00 N ATOM 246 C4 A A 8 4.191 10.017 -7.562 1.00 0.00 C ATOM 0 H5' A A 8 -2.313 10.754 -8.737 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.428 10.257 -7.308 1.00 0.00 H new ATOM 0 H4' A A 8 -0.624 10.253 -10.166 1.00 0.00 H new ATOM 0 H3' A A 8 -1.184 8.162 -8.467 1.00 0.00 H new ATOM 0 H2' A A 8 0.588 8.738 -6.777 1.00 0.00 H new ATOM 0 HO2' A A 8 1.765 7.044 -6.811 1.00 0.00 H new ATOM 0 H1' A A 8 2.446 9.074 -9.206 1.00 0.00 H new ATOM 0 H8 A A 8 1.630 10.621 -5.773 1.00 0.00 H new ATOM 0 H61 A A 8 7.744 11.218 -5.257 1.00 0.00 H new ATOM 0 H62 A A 8 6.193 11.467 -4.447 1.00 0.00 H new ATOM 0 H2 A A 8 6.827 9.446 -9.278 1.00 0.00 H new ATOM 258 P A A 9 -0.305 6.387 -10.289 1.00 0.00 P ATOM 259 OP1 A A 9 -1.194 6.417 -11.471 1.00 0.00 O ATOM 260 OP2 A A 9 -0.783 5.794 -9.021 1.00 0.00 O ATOM 261 O5' A A 9 1.066 5.646 -10.708 1.00 0.00 O ATOM 262 C5' A A 9 1.792 4.862 -9.755 1.00 0.00 C ATOM 263 C4' A A 9 3.230 5.363 -9.590 1.00 0.00 C ATOM 264 O4' A A 9 3.225 6.578 -8.827 1.00 0.00 O ATOM 265 C3' A A 9 4.091 4.362 -8.809 1.00 0.00 C ATOM 266 O3' A A 9 5.074 3.813 -9.686 1.00 0.00 O ATOM 267 C2' A A 9 4.876 5.211 -7.815 1.00 0.00 C ATOM 268 O2' A A 9 6.178 5.523 -8.321 1.00 0.00 O ATOM 269 C1' A A 9 4.039 6.458 -7.651 1.00 0.00 C ATOM 270 N9 A A 9 3.244 6.371 -6.406 1.00 0.00 N ATOM 271 C8 A A 9 2.203 5.563 -6.077 1.00 0.00 C ATOM 272 N7 A A 9 1.736 5.648 -4.878 1.00 0.00 N ATOM 273 C5 A A 9 2.557 6.631 -4.326 1.00 0.00 C ATOM 274 C6 A A 9 2.609 7.217 -3.057 1.00 0.00 C ATOM 275 N6 A A 9 1.782 6.883 -2.068 1.00 0.00 N ATOM 276 N1 A A 9 3.545 8.157 -2.850 1.00 0.00 N ATOM 277 C2 A A 9 4.381 8.503 -3.829 1.00 0.00 C ATOM 278 N3 A A 9 4.421 8.015 -5.063 1.00 0.00 N ATOM 279 C4 A A 9 3.475 7.075 -5.247 1.00 0.00 C ATOM 0 H5' A A 9 1.804 3.820 -10.074 1.00 0.00 H new ATOM 0 H5'' A A 9 1.282 4.895 -8.792 1.00 0.00 H new ATOM 0 H4' A A 9 3.639 5.505 -10.590 1.00 0.00 H new ATOM 0 H3' A A 9 3.480 3.578 -8.361 1.00 0.00 H new ATOM 0 H2' A A 9 5.044 4.697 -6.868 1.00 0.00 H new ATOM 0 HO2' A A 9 6.321 5.053 -9.169 1.00 0.00 H new ATOM 0 H1' A A 9 4.654 7.353 -7.554 1.00 0.00 H new ATOM 0 H8 A A 9 1.781 4.874 -6.794 1.00 0.00 H new ATOM 0 H61 A A 9 1.862 7.341 -1.160 1.00 0.00 H new ATOM 0 H62 A A 9 1.069 6.169 -2.219 1.00 0.00 H new ATOM 0 H2 A A 9 5.107 9.266 -3.592 1.00 0.00 H new ATOM 291 P G A 10 5.774 2.405 -9.326 1.00 0.00 P ATOM 292 OP1 G A 10 7.062 2.328 -10.051 1.00 0.00 O ATOM 293 OP2 G A 10 4.768 1.333 -9.493 1.00 0.00 O ATOM 294 O5' G A 10 6.091 2.556 -7.749 1.00 0.00 O ATOM 295 C5' G A 10 7.445 2.598 -7.283 1.00 0.00 C ATOM 296 C4' G A 10 7.538 3.011 -5.813 1.00 0.00 C ATOM 297 O4' G A 10 6.603 4.049 -5.491 1.00 0.00 O ATOM 298 C3' G A 10 7.175 1.867 -4.881 1.00 0.00 C ATOM 299 O3' G A 10 8.346 1.091 -4.608 1.00 0.00 O ATOM 300 C2' G A 10 6.789 2.608 -3.618 1.00 0.00 C ATOM 301 O2' G A 10 7.941 3.008 -2.868 1.00 0.00 O ATOM 302 C1' G A 10 6.044 3.809 -4.183 1.00 0.00 C ATOM 303 N9 G A 10 4.596 3.527 -4.257 1.00 0.00 N ATOM 304 C8 G A 10 3.861 3.027 -5.282 1.00 0.00 C ATOM 305 N7 G A 10 2.597 2.860 -5.087 1.00 0.00 N ATOM 306 C5 G A 10 2.452 3.296 -3.768 1.00 0.00 C ATOM 307 C6 G A 10 1.289 3.364 -2.957 1.00 0.00 C ATOM 308 O6 G A 10 0.137 3.047 -3.248 1.00 0.00 O ATOM 309 N1 G A 10 1.577 3.861 -1.693 1.00 0.00 N ATOM 310 C2 G A 10 2.828 4.248 -1.258 1.00 0.00 C ATOM 311 N2 G A 10 2.900 4.700 -0.005 1.00 0.00 N ATOM 312 N3 G A 10 3.929 4.188 -2.014 1.00 0.00 N ATOM 313 C4 G A 10 3.671 3.706 -3.252 1.00 0.00 C ATOM 0 H5' G A 10 8.015 3.299 -7.892 1.00 0.00 H new ATOM 0 H5'' G A 10 7.903 1.617 -7.413 1.00 0.00 H new ATOM 0 H4' G A 10 8.570 3.335 -5.680 1.00 0.00 H new ATOM 0 H3' G A 10 6.409 1.199 -5.274 1.00 0.00 H new ATOM 0 H2' G A 10 6.203 2.013 -2.918 1.00 0.00 H new ATOM 0 HO2' G A 10 8.681 2.392 -3.051 1.00 0.00 H new ATOM 0 H1' G A 10 6.156 4.689 -3.550 1.00 0.00 H new ATOM 0 H8 G A 10 4.318 2.778 -6.228 1.00 0.00 H new ATOM 0 H1 G A 10 0.803 3.947 -1.034 1.00 0.00 H new ATOM 0 H21 G A 10 3.796 5.002 0.378 1.00 0.00 H new ATOM 0 H22 G A 10 2.059 4.744 0.571 1.00 0.00 H new ATOM 325 P A A 11 8.212 -0.465 -4.209 1.00 0.00 P ATOM 326 OP1 A A 11 9.564 -1.067 -4.240 1.00 0.00 O ATOM 327 OP2 A A 11 7.124 -1.057 -5.017 1.00 0.00 O ATOM 328 O5' A A 11 7.721 -0.403 -2.673 1.00 0.00 O ATOM 329 C5' A A 11 8.662 -0.164 -1.622 1.00 0.00 C ATOM 330 C4' A A 11 7.983 0.327 -0.343 1.00 0.00 C ATOM 331 O4' A A 11 6.919 1.238 -0.622 1.00 0.00 O ATOM 332 C3' A A 11 7.318 -0.806 0.417 1.00 0.00 C ATOM 333 O3' A A 11 8.283 -1.426 1.273 1.00 0.00 O ATOM 334 C2' A A 11 6.323 -0.059 1.284 1.00 0.00 C ATOM 335 O2' A A 11 6.939 0.445 2.475 1.00 0.00 O ATOM 336 C1' A A 11 5.879 1.075 0.362 1.00 0.00 C ATOM 337 N9 A A 11 4.583 0.748 -0.264 1.00 0.00 N ATOM 338 C8 A A 11 4.299 0.369 -1.535 1.00 0.00 C ATOM 339 N7 A A 11 3.064 0.121 -1.821 1.00 0.00 N ATOM 340 C5 A A 11 2.438 0.363 -0.595 1.00 0.00 C ATOM 341 C6 A A 11 1.104 0.289 -0.181 1.00 0.00 C ATOM 342 N6 A A 11 0.108 -0.066 -0.992 1.00 0.00 N ATOM 343 N1 A A 11 0.836 0.595 1.101 1.00 0.00 N ATOM 344 C2 A A 11 1.818 0.952 1.930 1.00 0.00 C ATOM 345 N3 A A 11 3.112 1.055 1.644 1.00 0.00 N ATOM 346 C4 A A 11 3.355 0.745 0.356 1.00 0.00 C ATOM 0 H5' A A 11 9.392 0.575 -1.951 1.00 0.00 H new ATOM 0 H5'' A A 11 9.210 -1.082 -1.411 1.00 0.00 H new ATOM 0 H4' A A 11 8.783 0.792 0.232 1.00 0.00 H new ATOM 0 H3' A A 11 6.883 -1.575 -0.221 1.00 0.00 H new ATOM 0 H2' A A 11 5.501 -0.681 1.639 1.00 0.00 H new ATOM 0 HO2' A A 11 7.736 -0.087 2.682 1.00 0.00 H new ATOM 0 H1' A A 11 5.732 2.005 0.912 1.00 0.00 H new ATOM 0 H8 A A 11 5.076 0.278 -2.280 1.00 0.00 H new ATOM 0 H61 A A 11 -0.848 -0.104 -0.639 1.00 0.00 H new ATOM 0 H62 A A 11 0.302 -0.300 -1.966 1.00 0.00 H new ATOM 0 H2 A A 11 1.530 1.183 2.945 1.00 0.00 H new ATOM 358 P A A 12 8.235 -3.014 1.539 1.00 0.00 P ATOM 359 OP1 A A 12 9.475 -3.400 2.250 1.00 0.00 O ATOM 360 OP2 A A 12 7.875 -3.685 0.270 1.00 0.00 O ATOM 361 O5' A A 12 6.998 -3.172 2.563 1.00 0.00 O ATOM 362 C5' A A 12 7.214 -3.111 3.976 1.00 0.00 C ATOM 363 C4' A A 12 5.911 -3.257 4.763 1.00 0.00 C ATOM 364 O4' A A 12 4.923 -2.325 4.325 1.00 0.00 O ATOM 365 C3' A A 12 5.284 -4.624 4.552 1.00 0.00 C ATOM 366 O3' A A 12 5.801 -5.523 5.537 1.00 0.00 O ATOM 367 C2' A A 12 3.817 -4.371 4.859 1.00 0.00 C ATOM 368 O2' A A 12 3.542 -4.524 6.256 1.00 0.00 O ATOM 369 C1' A A 12 3.616 -2.925 4.404 1.00 0.00 C ATOM 370 N9 A A 12 2.931 -2.885 3.099 1.00 0.00 N ATOM 371 C8 A A 12 3.449 -2.754 1.853 1.00 0.00 C ATOM 372 N7 A A 12 2.624 -2.762 0.861 1.00 0.00 N ATOM 373 C5 A A 12 1.398 -2.917 1.515 1.00 0.00 C ATOM 374 C6 A A 12 0.080 -3.004 1.052 1.00 0.00 C ATOM 375 N6 A A 12 -0.242 -2.946 -0.241 1.00 0.00 N ATOM 376 N1 A A 12 -0.891 -3.154 1.970 1.00 0.00 N ATOM 377 C2 A A 12 -0.589 -3.215 3.268 1.00 0.00 C ATOM 378 N3 A A 12 0.621 -3.142 3.816 1.00 0.00 N ATOM 379 C4 A A 12 1.577 -2.992 2.878 1.00 0.00 C ATOM 0 H5' A A 12 7.686 -2.162 4.230 1.00 0.00 H new ATOM 0 H5'' A A 12 7.906 -3.900 4.271 1.00 0.00 H new ATOM 0 H4' A A 12 6.186 -3.093 5.805 1.00 0.00 H new ATOM 0 H3' A A 12 5.467 -5.045 3.563 1.00 0.00 H new ATOM 0 H2' A A 12 3.147 -5.073 4.362 1.00 0.00 H new ATOM 0 HO2' A A 12 4.279 -5.008 6.683 1.00 0.00 H new ATOM 0 H1' A A 12 2.988 -2.376 5.106 1.00 0.00 H new ATOM 0 H8 A A 12 4.512 -2.647 1.697 1.00 0.00 H new ATOM 0 H61 A A 12 -1.219 -3.014 -0.527 1.00 0.00 H new ATOM 0 H62 A A 12 0.489 -2.833 -0.944 1.00 0.00 H new ATOM 0 H2 A A 12 -1.418 -3.337 3.949 1.00 0.00 H new ATOM 391 P C A 13 5.840 -7.108 5.253 1.00 0.00 P ATOM 392 OP1 C A 13 6.518 -7.765 6.392 1.00 0.00 O ATOM 393 OP2 C A 13 6.340 -7.319 3.876 1.00 0.00 O ATOM 394 O5' C A 13 4.282 -7.517 5.293 1.00 0.00 O ATOM 395 C5' C A 13 3.674 -7.918 6.524 1.00 0.00 C ATOM 396 C4' C A 13 2.211 -8.317 6.333 1.00 0.00 C ATOM 397 O4' C A 13 1.459 -7.270 5.719 1.00 0.00 O ATOM 398 C3' C A 13 2.079 -9.507 5.400 1.00 0.00 C ATOM 399 O3' C A 13 2.121 -10.703 6.181 1.00 0.00 O ATOM 400 C2' C A 13 0.676 -9.346 4.842 1.00 0.00 C ATOM 401 O2' C A 13 -0.299 -9.973 5.685 1.00 0.00 O ATOM 402 C1' C A 13 0.494 -7.829 4.810 1.00 0.00 C ATOM 403 N1 C A 13 0.691 -7.308 3.445 1.00 0.00 N ATOM 404 C2 C A 13 -0.432 -7.180 2.646 1.00 0.00 C ATOM 405 O2 C A 13 -1.537 -7.491 3.083 1.00 0.00 O ATOM 406 N3 C A 13 -0.271 -6.707 1.381 1.00 0.00 N ATOM 407 C4 C A 13 0.938 -6.372 0.918 1.00 0.00 C ATOM 408 N4 C A 13 1.055 -5.912 -0.328 1.00 0.00 N ATOM 409 C5 C A 13 2.102 -6.503 1.740 1.00 0.00 C ATOM 410 C6 C A 13 1.933 -6.972 2.990 1.00 0.00 C ATOM 0 H5' C A 13 3.737 -7.101 7.243 1.00 0.00 H new ATOM 0 H5'' C A 13 4.227 -8.757 6.946 1.00 0.00 H new ATOM 0 H4' C A 13 1.838 -8.545 7.331 1.00 0.00 H new ATOM 0 H3' C A 13 2.856 -9.558 4.637 1.00 0.00 H new ATOM 0 H2' C A 13 0.546 -9.815 3.867 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.683 -10.746 5.222 1.00 0.00 H new ATOM 0 H1' C A 13 -0.518 -7.554 5.109 1.00 0.00 H new ATOM 0 H41 C A 13 1.972 -5.653 -0.692 1.00 0.00 H new ATOM 0 H42 C A 13 0.227 -5.819 -0.917 1.00 0.00 H new ATOM 0 H5 C A 13 3.081 -6.235 1.371 1.00 0.00 H new ATOM 0 H6 C A 13 2.789 -7.084 3.639 1.00 0.00 H new ATOM 422 P C A 14 2.749 -12.055 5.571 1.00 0.00 P ATOM 423 OP1 C A 14 2.987 -13.000 6.685 1.00 0.00 O ATOM 424 OP2 C A 14 3.861 -11.683 4.668 1.00 0.00 O ATOM 425 O5' C A 14 1.542 -12.629 4.673 1.00 0.00 O ATOM 426 C5' C A 14 0.464 -13.345 5.281 1.00 0.00 C ATOM 427 C4' C A 14 -0.790 -13.325 4.410 1.00 0.00 C ATOM 428 O4' C A 14 -0.982 -12.048 3.807 1.00 0.00 O ATOM 429 C3' C A 14 -0.671 -14.302 3.256 1.00 0.00 C ATOM 430 O3' C A 14 -1.063 -15.624 3.644 1.00 0.00 O ATOM 431 C2' C A 14 -1.630 -13.714 2.233 1.00 0.00 C ATOM 432 O2' C A 14 -2.958 -14.215 2.416 1.00 0.00 O ATOM 433 C1' C A 14 -1.558 -12.211 2.504 1.00 0.00 C ATOM 434 N1 C A 14 -0.745 -11.532 1.477 1.00 0.00 N ATOM 435 C2 C A 14 -1.375 -11.190 0.293 1.00 0.00 C ATOM 436 O2 C A 14 -2.566 -11.448 0.133 1.00 0.00 O ATOM 437 N3 C A 14 -0.643 -10.570 -0.671 1.00 0.00 N ATOM 438 C4 C A 14 0.654 -10.296 -0.482 1.00 0.00 C ATOM 439 N4 C A 14 1.340 -9.687 -1.450 1.00 0.00 N ATOM 440 C5 C A 14 1.308 -10.646 0.740 1.00 0.00 C ATOM 441 C6 C A 14 0.574 -11.260 1.689 1.00 0.00 C ATOM 0 H5' C A 14 0.239 -12.907 6.253 1.00 0.00 H new ATOM 0 H5'' C A 14 0.767 -14.377 5.459 1.00 0.00 H new ATOM 0 H4' C A 14 -1.616 -13.583 5.073 1.00 0.00 H new ATOM 0 H3' C A 14 0.347 -14.414 2.884 1.00 0.00 H new ATOM 0 H2' C A 14 -1.368 -13.972 1.207 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.919 -15.104 2.826 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.977 -16.229 2.878 1.00 0.00 H new ATOM 0 H1' C A 14 -2.551 -11.763 2.465 1.00 0.00 H new ATOM 0 H41 C A 14 2.328 -9.473 -1.318 1.00 0.00 H new ATOM 0 H42 C A 14 0.876 -9.435 -2.323 1.00 0.00 H new ATOM 0 H5 C A 14 2.354 -10.426 0.897 1.00 0.00 H new ATOM 0 H6 C A 14 1.035 -11.539 2.625 1.00 0.00 H new TER 454 C A 14