USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -15:sc= 0.348 USER MOD Single : A 1 G O5' : rot 8:sc= 0.0175 USER MOD Single : A 2 G O2' : rot -7:sc= -1.46! USER MOD Single : A 3 G O2' : rot -22:sc= 0.332 USER MOD Single : A 4 U O2' : rot -20:sc= 0.285 USER MOD Single : A 5 C O2' : rot -26:sc= 0.258 USER MOD Single : A 6 U O2' : rot -11:sc= -0.73 USER MOD Single : A 7 U O2' : rot -132:sc= -2.88! USER MOD Single : A 8 C O2' : rot 27:sc= 0.238 USER MOD Single : A 9 G O2' : rot -16:sc= 0.286 USER MOD Single : A 10 G O2' : rot -170:sc= -2.47! USER MOD Single : A 11 G O2' : rot -16:sc= 0.262 USER MOD Single : A 12 U O2' : rot -27:sc= 0.264 USER MOD Single : A 13 C O2' : rot -31:sc= 0.337 USER MOD Single : A 14 C O2' : rot -26:sc= 0.133 USER MOD Single : A 14 C O3' : rot 180:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 11.249 -5.008 3.107 1.00 0.00 O ATOM 2 C5' G A 1 10.376 -6.123 3.327 1.00 0.00 C ATOM 3 C4' G A 1 9.935 -6.758 2.015 1.00 0.00 C ATOM 4 O4' G A 1 8.989 -7.788 2.278 1.00 0.00 O ATOM 5 C3' G A 1 9.202 -5.832 1.070 1.00 0.00 C ATOM 6 O3' G A 1 10.186 -5.181 0.255 1.00 0.00 O ATOM 7 C2' G A 1 8.431 -6.805 0.186 1.00 0.00 C ATOM 8 O2' G A 1 9.282 -7.324 -0.838 1.00 0.00 O ATOM 9 C1' G A 1 8.060 -7.907 1.184 1.00 0.00 C ATOM 10 N9 G A 1 6.722 -7.702 1.751 1.00 0.00 N ATOM 11 C8 G A 1 6.417 -7.152 2.961 1.00 0.00 C ATOM 12 N7 G A 1 5.138 -7.085 3.203 1.00 0.00 N ATOM 13 C5 G A 1 4.556 -7.632 2.062 1.00 0.00 C ATOM 14 C6 G A 1 3.185 -7.829 1.739 1.00 0.00 C ATOM 15 O6 G A 1 2.193 -7.553 2.408 1.00 0.00 O ATOM 16 N1 G A 1 3.035 -8.410 0.494 1.00 0.00 N ATOM 17 C2 G A 1 4.064 -8.761 -0.341 1.00 0.00 C ATOM 18 N2 G A 1 3.733 -9.306 -1.503 1.00 0.00 N ATOM 19 N3 G A 1 5.352 -8.584 -0.055 1.00 0.00 N ATOM 20 C4 G A 1 5.523 -8.015 1.162 1.00 0.00 C ATOM 0 H5' G A 1 9.499 -5.795 3.886 1.00 0.00 H new ATOM 0 H5'' G A 1 10.884 -6.868 3.940 1.00 0.00 H new ATOM 0 H4' G A 1 10.867 -7.089 1.558 1.00 0.00 H new ATOM 0 H3' G A 1 8.578 -5.085 1.561 1.00 0.00 H new ATOM 0 H2' G A 1 7.576 -6.363 -0.326 1.00 0.00 H new ATOM 0 HO2' G A 1 10.092 -6.776 -0.899 1.00 0.00 H new ATOM 0 HO5' G A 1 11.287 -4.807 2.149 1.00 0.00 H new ATOM 0 H1' G A 1 8.085 -8.872 0.677 1.00 0.00 H new ATOM 0 H8 G A 1 7.167 -6.804 3.656 1.00 0.00 H new ATOM 0 H1 G A 1 2.085 -8.592 0.171 1.00 0.00 H new ATOM 0 H21 G A 1 4.461 -9.585 -2.161 1.00 0.00 H new ATOM 0 H22 G A 1 2.751 -9.446 -1.739 1.00 0.00 H new ATOM 33 P G A 2 10.024 -3.624 -0.143 1.00 0.00 P ATOM 34 OP1 G A 2 11.347 -3.117 -0.571 1.00 0.00 O ATOM 35 OP2 G A 2 9.289 -2.941 0.946 1.00 0.00 O ATOM 36 O5' G A 2 9.061 -3.688 -1.434 1.00 0.00 O ATOM 37 C5' G A 2 9.592 -4.004 -2.728 1.00 0.00 C ATOM 38 C4' G A 2 8.509 -4.499 -3.684 1.00 0.00 C ATOM 39 O4' G A 2 7.819 -5.606 -3.090 1.00 0.00 O ATOM 40 C3' G A 2 7.397 -3.505 -3.979 1.00 0.00 C ATOM 41 O3' G A 2 7.795 -2.710 -5.102 1.00 0.00 O ATOM 42 C2' G A 2 6.280 -4.426 -4.439 1.00 0.00 C ATOM 43 O2' G A 2 6.523 -4.902 -5.768 1.00 0.00 O ATOM 44 C1' G A 2 6.416 -5.558 -3.425 1.00 0.00 C ATOM 45 N9 G A 2 5.670 -5.272 -2.188 1.00 0.00 N ATOM 46 C8 G A 2 6.128 -4.652 -1.059 1.00 0.00 C ATOM 47 N7 G A 2 5.223 -4.510 -0.133 1.00 0.00 N ATOM 48 C5 G A 2 4.083 -5.080 -0.691 1.00 0.00 C ATOM 49 C6 G A 2 2.775 -5.222 -0.153 1.00 0.00 C ATOM 50 O6 G A 2 2.356 -4.867 0.945 1.00 0.00 O ATOM 51 N1 G A 2 1.924 -5.849 -1.041 1.00 0.00 N ATOM 52 C2 G A 2 2.275 -6.290 -2.291 1.00 0.00 C ATOM 53 N2 G A 2 1.325 -6.866 -3.013 1.00 0.00 N ATOM 54 N3 G A 2 3.495 -6.169 -2.811 1.00 0.00 N ATOM 55 C4 G A 2 4.346 -5.552 -1.955 1.00 0.00 C ATOM 0 H5' G A 2 10.363 -4.767 -2.627 1.00 0.00 H new ATOM 0 H5'' G A 2 10.071 -3.120 -3.149 1.00 0.00 H new ATOM 0 H4' G A 2 9.055 -4.722 -4.601 1.00 0.00 H new ATOM 0 H3' G A 2 7.142 -2.848 -3.147 1.00 0.00 H new ATOM 0 H2' G A 2 5.294 -3.962 -4.478 1.00 0.00 H new ATOM 0 HO2' G A 2 7.304 -4.444 -6.142 1.00 0.00 H new ATOM 0 H1' G A 2 6.029 -6.487 -3.844 1.00 0.00 H new ATOM 0 H8 G A 2 7.147 -4.311 -0.945 1.00 0.00 H new ATOM 0 H1 G A 2 0.959 -5.996 -0.744 1.00 0.00 H new ATOM 0 H21 G A 2 1.535 -7.211 -3.950 1.00 0.00 H new ATOM 0 H22 G A 2 0.384 -6.964 -2.632 1.00 0.00 H new ATOM 67 P G A 3 7.075 -1.297 -5.397 1.00 0.00 P ATOM 68 OP1 G A 3 7.646 -0.739 -6.643 1.00 0.00 O ATOM 69 OP2 G A 3 7.095 -0.496 -4.152 1.00 0.00 O ATOM 70 O5' G A 3 5.547 -1.731 -5.690 1.00 0.00 O ATOM 71 C5' G A 3 5.215 -2.462 -6.878 1.00 0.00 C ATOM 72 C4' G A 3 3.795 -3.025 -6.834 1.00 0.00 C ATOM 73 O4' G A 3 3.625 -3.837 -5.666 1.00 0.00 O ATOM 74 C3' G A 3 2.688 -2.004 -6.693 1.00 0.00 C ATOM 75 O3' G A 3 2.372 -1.514 -8.004 1.00 0.00 O ATOM 76 C2' G A 3 1.531 -2.879 -6.236 1.00 0.00 C ATOM 77 O2' G A 3 0.983 -3.610 -7.339 1.00 0.00 O ATOM 78 C1' G A 3 2.239 -3.825 -5.261 1.00 0.00 C ATOM 79 N9 G A 3 2.141 -3.355 -3.865 1.00 0.00 N ATOM 80 C8 G A 3 3.126 -2.871 -3.043 1.00 0.00 C ATOM 81 N7 G A 3 2.701 -2.522 -1.862 1.00 0.00 N ATOM 82 C5 G A 3 1.337 -2.794 -1.904 1.00 0.00 C ATOM 83 C6 G A 3 0.339 -2.619 -0.906 1.00 0.00 C ATOM 84 O6 G A 3 0.465 -2.176 0.231 1.00 0.00 O ATOM 85 N1 G A 3 -0.906 -3.016 -1.356 1.00 0.00 N ATOM 86 C2 G A 3 -1.168 -3.520 -2.603 1.00 0.00 C ATOM 87 N2 G A 3 -2.425 -3.847 -2.870 1.00 0.00 N ATOM 88 N3 G A 3 -0.245 -3.691 -3.548 1.00 0.00 N ATOM 89 C4 G A 3 0.983 -3.306 -3.127 1.00 0.00 C ATOM 0 H5' G A 3 5.924 -3.280 -7.009 1.00 0.00 H new ATOM 0 H5'' G A 3 5.318 -1.809 -7.745 1.00 0.00 H new ATOM 0 H4' G A 3 3.710 -3.543 -7.789 1.00 0.00 H new ATOM 0 H3' G A 3 2.919 -1.163 -6.039 1.00 0.00 H new ATOM 0 H2' G A 3 0.695 -2.329 -5.804 1.00 0.00 H new ATOM 0 HO2' G A 3 1.210 -3.156 -8.177 1.00 0.00 H new ATOM 0 H1' G A 3 1.780 -4.813 -5.292 1.00 0.00 H new ATOM 0 H8 G A 3 4.159 -2.787 -3.347 1.00 0.00 H new ATOM 0 H1 G A 3 -1.690 -2.927 -0.710 1.00 0.00 H new ATOM 0 H21 G A 3 -2.670 -4.226 -3.785 1.00 0.00 H new ATOM 0 H22 G A 3 -3.147 -3.719 -2.161 1.00 0.00 H new ATOM 101 P U A 4 1.951 0.027 -8.222 1.00 0.00 P ATOM 102 OP1 U A 4 1.581 0.209 -9.644 1.00 0.00 O ATOM 103 OP2 U A 4 2.996 0.884 -7.618 1.00 0.00 O ATOM 104 O5' U A 4 0.615 0.160 -7.328 1.00 0.00 O ATOM 105 C5' U A 4 -0.665 -0.231 -7.846 1.00 0.00 C ATOM 106 C4' U A 4 -1.763 -0.095 -6.794 1.00 0.00 C ATOM 107 O4' U A 4 -1.459 -0.939 -5.676 1.00 0.00 O ATOM 108 C3' U A 4 -1.888 1.283 -6.175 1.00 0.00 C ATOM 109 O3' U A 4 -2.794 2.047 -6.982 1.00 0.00 O ATOM 110 C2' U A 4 -2.583 0.974 -4.859 1.00 0.00 C ATOM 111 O2' U A 4 -3.975 0.716 -5.064 1.00 0.00 O ATOM 112 C1' U A 4 -1.853 -0.303 -4.444 1.00 0.00 C ATOM 113 N1 U A 4 -0.638 -0.023 -3.647 1.00 0.00 N ATOM 114 C2 U A 4 -0.794 0.196 -2.290 1.00 0.00 C ATOM 115 O2 U A 4 -1.892 0.183 -1.736 1.00 0.00 O ATOM 116 N3 U A 4 0.360 0.450 -1.584 1.00 0.00 N ATOM 117 C4 U A 4 1.636 0.508 -2.101 1.00 0.00 C ATOM 118 O4 U A 4 2.585 0.752 -1.364 1.00 0.00 O ATOM 119 C5 U A 4 1.721 0.271 -3.522 1.00 0.00 C ATOM 120 C6 U A 4 0.599 0.017 -4.237 1.00 0.00 C ATOM 0 H5' U A 4 -0.618 -1.264 -8.192 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.911 0.384 -8.711 1.00 0.00 H new ATOM 0 H4' U A 4 -2.678 -0.344 -7.332 1.00 0.00 H new ATOM 0 H3' U A 4 -0.947 1.825 -6.076 1.00 0.00 H new ATOM 0 H2' U A 4 -2.545 1.781 -4.127 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.256 1.099 -5.921 1.00 0.00 H new ATOM 0 H1' U A 4 -2.504 -0.919 -3.824 1.00 0.00 H new ATOM 0 H3 U A 4 0.261 0.611 -0.582 1.00 0.00 H new ATOM 0 H5 U A 4 2.681 0.296 -4.016 1.00 0.00 H new ATOM 0 H6 U A 4 0.681 -0.159 -5.299 1.00 0.00 H new ATOM 131 P C A 5 -2.665 3.653 -7.062 1.00 0.00 P ATOM 132 OP1 C A 5 -3.490 4.129 -8.194 1.00 0.00 O ATOM 133 OP2 C A 5 -1.229 4.005 -6.993 1.00 0.00 O ATOM 134 O5' C A 5 -3.362 4.129 -5.688 1.00 0.00 O ATOM 135 C5' C A 5 -4.787 4.250 -5.590 1.00 0.00 C ATOM 136 C4' C A 5 -5.225 4.656 -4.185 1.00 0.00 C ATOM 137 O4' C A 5 -4.785 3.668 -3.245 1.00 0.00 O ATOM 138 C3' C A 5 -4.609 5.939 -3.664 1.00 0.00 C ATOM 139 O3' C A 5 -5.446 7.026 -4.077 1.00 0.00 O ATOM 140 C2' C A 5 -4.776 5.775 -2.164 1.00 0.00 C ATOM 141 O2' C A 5 -6.130 6.024 -1.773 1.00 0.00 O ATOM 142 C1' C A 5 -4.431 4.294 -1.994 1.00 0.00 C ATOM 143 N1 C A 5 -2.992 4.069 -1.739 1.00 0.00 N ATOM 144 C2 C A 5 -2.559 4.114 -0.425 1.00 0.00 C ATOM 145 O2 C A 5 -3.349 4.361 0.482 1.00 0.00 O ATOM 146 N3 C A 5 -1.247 3.889 -0.159 1.00 0.00 N ATOM 147 C4 C A 5 -0.385 3.630 -1.146 1.00 0.00 C ATOM 148 N4 C A 5 0.886 3.419 -0.814 1.00 0.00 N ATOM 149 C5 C A 5 -0.817 3.584 -2.508 1.00 0.00 C ATOM 150 C6 C A 5 -2.121 3.808 -2.759 1.00 0.00 C ATOM 0 H5' C A 5 -5.252 3.301 -5.856 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.140 4.990 -6.309 1.00 0.00 H new ATOM 0 H4' C A 5 -6.305 4.774 -4.271 1.00 0.00 H new ATOM 0 H3' C A 5 -3.586 6.121 -3.995 1.00 0.00 H new ATOM 0 H2' C A 5 -4.170 6.455 -1.565 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.551 6.628 -2.419 1.00 0.00 H new ATOM 0 H1' C A 5 -4.966 3.887 -1.136 1.00 0.00 H new ATOM 0 H41 C A 5 1.576 3.218 -1.538 1.00 0.00 H new ATOM 0 H42 C A 5 1.171 3.458 0.165 1.00 0.00 H new ATOM 0 H5 C A 5 -0.122 3.377 -3.308 1.00 0.00 H new ATOM 0 H6 C A 5 -2.482 3.781 -3.777 1.00 0.00 H new ATOM 162 P U A 6 -4.812 8.478 -4.382 1.00 0.00 P ATOM 163 OP1 U A 6 -5.903 9.383 -4.804 1.00 0.00 O ATOM 164 OP2 U A 6 -3.629 8.290 -5.252 1.00 0.00 O ATOM 165 O5' U A 6 -4.292 8.948 -2.928 1.00 0.00 O ATOM 166 C5' U A 6 -5.209 9.457 -1.951 1.00 0.00 C ATOM 167 C4' U A 6 -4.556 9.600 -0.578 1.00 0.00 C ATOM 168 O4' U A 6 -4.063 8.323 -0.150 1.00 0.00 O ATOM 169 C3' U A 6 -3.329 10.491 -0.535 1.00 0.00 C ATOM 170 O3' U A 6 -3.779 11.828 -0.273 1.00 0.00 O ATOM 171 C2' U A 6 -2.617 9.988 0.711 1.00 0.00 C ATOM 172 O2' U A 6 -3.246 10.488 1.895 1.00 0.00 O ATOM 173 C1' U A 6 -2.831 8.477 0.579 1.00 0.00 C ATOM 174 N1 U A 6 -1.747 7.817 -0.180 1.00 0.00 N ATOM 175 C2 U A 6 -0.747 7.192 0.542 1.00 0.00 C ATOM 176 O2 U A 6 -0.739 7.152 1.768 1.00 0.00 O ATOM 177 N3 U A 6 0.251 6.599 -0.199 1.00 0.00 N ATOM 178 C4 U A 6 0.339 6.576 -1.574 1.00 0.00 C ATOM 179 O4 U A 6 1.280 6.007 -2.117 1.00 0.00 O ATOM 180 C5 U A 6 -0.739 7.248 -2.260 1.00 0.00 C ATOM 181 C6 U A 6 -1.732 7.837 -1.552 1.00 0.00 C ATOM 0 H5' U A 6 -6.068 8.790 -1.877 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.586 10.427 -2.277 1.00 0.00 H new ATOM 0 H4' U A 6 -5.342 10.030 0.043 1.00 0.00 H new ATOM 0 H3' U A 6 -2.721 10.478 -1.440 1.00 0.00 H new ATOM 0 H2' U A 6 -1.573 10.293 0.789 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.894 11.182 1.653 1.00 0.00 H new ATOM 0 H1' U A 6 -2.849 8.018 1.568 1.00 0.00 H new ATOM 0 H3 U A 6 0.996 6.133 0.319 1.00 0.00 H new ATOM 0 H5 U A 6 -0.754 7.281 -3.339 1.00 0.00 H new ATOM 0 H6 U A 6 -2.532 8.335 -2.080 1.00 0.00 H new ATOM 192 P U A 7 -2.826 13.098 -0.565 1.00 0.00 P ATOM 193 OP1 U A 7 -3.684 14.251 -0.918 1.00 0.00 O ATOM 194 OP2 U A 7 -1.749 12.669 -1.490 1.00 0.00 O ATOM 195 O5' U A 7 -2.170 13.373 0.880 1.00 0.00 O ATOM 196 C5' U A 7 -1.601 14.648 1.209 1.00 0.00 C ATOM 197 C4' U A 7 -1.505 14.840 2.720 1.00 0.00 C ATOM 198 O4' U A 7 -2.828 14.805 3.286 1.00 0.00 O ATOM 199 C3' U A 7 -0.737 13.741 3.449 1.00 0.00 C ATOM 200 O3' U A 7 -0.215 14.306 4.658 1.00 0.00 O ATOM 201 C2' U A 7 -1.830 12.759 3.838 1.00 0.00 C ATOM 202 O2' U A 7 -1.432 11.972 4.964 1.00 0.00 O ATOM 203 C1' U A 7 -2.948 13.721 4.217 1.00 0.00 C ATOM 204 N1 U A 7 -4.290 13.119 4.077 1.00 0.00 N ATOM 205 C2 U A 7 -5.065 13.009 5.218 1.00 0.00 C ATOM 206 O2 U A 7 -4.681 13.389 6.319 1.00 0.00 O ATOM 207 N3 U A 7 -6.308 12.443 5.049 1.00 0.00 N ATOM 208 C4 U A 7 -6.841 11.984 3.866 1.00 0.00 C ATOM 209 O4 U A 7 -7.970 11.501 3.849 1.00 0.00 O ATOM 210 C5 U A 7 -5.978 12.132 2.717 1.00 0.00 C ATOM 211 C6 U A 7 -4.749 12.685 2.859 1.00 0.00 C ATOM 0 H5' U A 7 -2.210 15.442 0.777 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.608 14.731 0.766 1.00 0.00 H new ATOM 0 H4' U A 7 -0.983 15.788 2.850 1.00 0.00 H new ATOM 0 H3' U A 7 0.070 13.300 2.864 1.00 0.00 H new ATOM 0 H2' U A 7 -2.091 12.037 3.064 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.617 11.027 4.784 1.00 0.00 H new ATOM 0 H1' U A 7 -2.853 14.019 5.261 1.00 0.00 H new ATOM 0 H3 U A 7 -6.891 12.355 5.881 1.00 0.00 H new ATOM 0 H5 U A 7 -6.312 11.802 1.745 1.00 0.00 H new ATOM 0 H6 U A 7 -4.114 12.787 1.991 1.00 0.00 H new ATOM 222 P C A 8 1.370 14.263 4.957 1.00 0.00 P ATOM 223 OP1 C A 8 1.577 14.518 6.400 1.00 0.00 O ATOM 224 OP2 C A 8 2.050 15.114 3.954 1.00 0.00 O ATOM 225 O5' C A 8 1.745 12.724 4.650 1.00 0.00 O ATOM 226 C5' C A 8 1.373 11.680 5.559 1.00 0.00 C ATOM 227 C4' C A 8 1.901 10.317 5.113 1.00 0.00 C ATOM 228 O4' C A 8 1.279 9.939 3.874 1.00 0.00 O ATOM 229 C3' C A 8 3.407 10.270 4.836 1.00 0.00 C ATOM 230 O3' C A 8 3.859 8.942 5.156 1.00 0.00 O ATOM 231 C2' C A 8 3.491 10.431 3.325 1.00 0.00 C ATOM 232 O2' C A 8 4.695 9.846 2.817 1.00 0.00 O ATOM 233 C1' C A 8 2.271 9.630 2.892 1.00 0.00 C ATOM 234 N1 C A 8 1.756 10.013 1.560 1.00 0.00 N ATOM 235 C2 C A 8 1.857 9.083 0.537 1.00 0.00 C ATOM 236 O2 C A 8 2.378 7.989 0.743 1.00 0.00 O ATOM 237 N3 C A 8 1.359 9.404 -0.689 1.00 0.00 N ATOM 238 C4 C A 8 0.787 10.591 -0.903 1.00 0.00 C ATOM 239 N4 C A 8 0.304 10.836 -2.117 1.00 0.00 N ATOM 240 C5 C A 8 0.682 11.558 0.145 1.00 0.00 C ATOM 241 C6 C A 8 1.177 11.231 1.352 1.00 0.00 C ATOM 0 H5' C A 8 0.287 11.639 5.639 1.00 0.00 H new ATOM 0 H5'' C A 8 1.758 11.910 6.553 1.00 0.00 H new ATOM 0 H4' C A 8 1.674 9.653 5.947 1.00 0.00 H new ATOM 0 H3' C A 8 3.984 11.010 5.391 1.00 0.00 H new ATOM 0 H2' C A 8 3.507 11.463 2.974 1.00 0.00 H new ATOM 0 HO2' C A 8 4.983 9.122 3.411 1.00 0.00 H new ATOM 0 H1' C A 8 2.525 8.573 2.818 1.00 0.00 H new ATOM 0 H41 C A 8 -0.140 11.732 -2.318 1.00 0.00 H new ATOM 0 H42 C A 8 0.378 10.128 -2.848 1.00 0.00 H new ATOM 0 H5 C A 8 0.220 12.519 -0.027 1.00 0.00 H new ATOM 0 H6 C A 8 1.116 11.940 2.165 1.00 0.00 H new ATOM 253 P G A 9 5.032 8.703 6.241 1.00 0.00 P ATOM 254 OP1 G A 9 5.757 9.981 6.433 1.00 0.00 O ATOM 255 OP2 G A 9 5.781 7.488 5.850 1.00 0.00 O ATOM 256 O5' G A 9 4.219 8.380 7.595 1.00 0.00 O ATOM 257 C5' G A 9 3.303 9.332 8.146 1.00 0.00 C ATOM 258 C4' G A 9 2.290 8.676 9.078 1.00 0.00 C ATOM 259 O4' G A 9 1.128 9.512 9.155 1.00 0.00 O ATOM 260 C3' G A 9 1.739 7.347 8.597 1.00 0.00 C ATOM 261 O3' G A 9 2.593 6.315 9.110 1.00 0.00 O ATOM 262 C2' G A 9 0.416 7.262 9.339 1.00 0.00 C ATOM 263 O2' G A 9 0.622 6.881 10.703 1.00 0.00 O ATOM 264 C1' G A 9 -0.068 8.711 9.248 1.00 0.00 C ATOM 265 N9 G A 9 -0.914 8.956 8.056 1.00 0.00 N ATOM 266 C8 G A 9 -2.093 9.652 7.981 1.00 0.00 C ATOM 267 N7 G A 9 -2.605 9.694 6.784 1.00 0.00 N ATOM 268 C5 G A 9 -1.702 8.976 6.005 1.00 0.00 C ATOM 269 C6 G A 9 -1.726 8.680 4.614 1.00 0.00 C ATOM 270 O6 G A 9 -2.570 8.996 3.779 1.00 0.00 O ATOM 271 N1 G A 9 -0.629 7.934 4.232 1.00 0.00 N ATOM 272 C2 G A 9 0.370 7.518 5.073 1.00 0.00 C ATOM 273 N2 G A 9 1.358 6.815 4.538 1.00 0.00 N ATOM 274 N3 G A 9 0.408 7.785 6.374 1.00 0.00 N ATOM 275 C4 G A 9 -0.659 8.519 6.773 1.00 0.00 C ATOM 0 H5' G A 9 2.777 9.839 7.337 1.00 0.00 H new ATOM 0 H5'' G A 9 3.858 10.095 8.692 1.00 0.00 H new ATOM 0 H4' G A 9 2.834 8.529 10.011 1.00 0.00 H new ATOM 0 H3' G A 9 1.657 7.253 7.514 1.00 0.00 H new ATOM 0 H2' G A 9 -0.281 6.527 8.935 1.00 0.00 H new ATOM 0 HO2' G A 9 1.526 6.517 10.808 1.00 0.00 H new ATOM 0 H1' G A 9 -0.683 8.953 10.115 1.00 0.00 H new ATOM 0 H8 G A 9 -2.555 10.122 8.836 1.00 0.00 H new ATOM 0 H1 G A 9 -0.556 7.672 3.249 1.00 0.00 H new ATOM 0 H21 G A 9 2.124 6.484 5.124 1.00 0.00 H new ATOM 0 H22 G A 9 1.352 6.605 3.540 1.00 0.00 H new ATOM 287 P G A 10 3.444 5.373 8.112 1.00 0.00 P ATOM 288 OP1 G A 10 4.831 5.295 8.622 1.00 0.00 O ATOM 289 OP2 G A 10 3.195 5.817 6.720 1.00 0.00 O ATOM 290 O5' G A 10 2.754 3.926 8.309 1.00 0.00 O ATOM 291 C5' G A 10 2.123 3.578 9.549 1.00 0.00 C ATOM 292 C4' G A 10 0.605 3.495 9.414 1.00 0.00 C ATOM 293 O4' G A 10 0.179 4.582 8.577 1.00 0.00 O ATOM 294 C3' G A 10 0.091 2.261 8.690 1.00 0.00 C ATOM 295 O3' G A 10 -0.236 1.276 9.678 1.00 0.00 O ATOM 296 C2' G A 10 -1.210 2.750 8.088 1.00 0.00 C ATOM 297 O2' G A 10 -2.236 2.843 9.083 1.00 0.00 O ATOM 298 C1' G A 10 -0.791 4.132 7.617 1.00 0.00 C ATOM 299 N9 G A 10 -0.117 4.061 6.311 1.00 0.00 N ATOM 300 C8 G A 10 1.191 3.740 6.057 1.00 0.00 C ATOM 301 N7 G A 10 1.490 3.729 4.788 1.00 0.00 N ATOM 302 C5 G A 10 0.293 4.065 4.160 1.00 0.00 C ATOM 303 C6 G A 10 -0.007 4.213 2.778 1.00 0.00 C ATOM 304 O6 G A 10 0.742 4.081 1.813 1.00 0.00 O ATOM 305 N1 G A 10 -1.329 4.559 2.580 1.00 0.00 N ATOM 306 C2 G A 10 -2.254 4.743 3.575 1.00 0.00 C ATOM 307 N2 G A 10 -3.483 5.066 3.200 1.00 0.00 N ATOM 308 N3 G A 10 -1.991 4.613 4.871 1.00 0.00 N ATOM 309 C4 G A 10 -0.698 4.272 5.090 1.00 0.00 C ATOM 0 H5' G A 10 2.380 4.318 10.307 1.00 0.00 H new ATOM 0 H5'' G A 10 2.509 2.620 9.896 1.00 0.00 H new ATOM 0 H4' G A 10 0.226 3.496 10.436 1.00 0.00 H new ATOM 0 H3' G A 10 0.793 1.842 7.970 1.00 0.00 H new ATOM 0 H2' G A 10 -1.624 2.104 7.314 1.00 0.00 H new ATOM 0 HO2' G A 10 -3.099 3.005 8.649 1.00 0.00 H new ATOM 0 H1' G A 10 -1.659 4.785 7.525 1.00 0.00 H new ATOM 0 H8 G A 10 1.907 3.517 6.835 1.00 0.00 H new ATOM 0 H1 G A 10 -1.642 4.688 1.618 1.00 0.00 H new ATOM 0 H21 G A 10 -4.208 5.214 3.902 1.00 0.00 H new ATOM 0 H22 G A 10 -3.704 5.167 2.209 1.00 0.00 H new ATOM 321 P G A 11 -0.389 -0.275 9.264 1.00 0.00 P ATOM 322 OP1 G A 11 -0.664 -1.058 10.490 1.00 0.00 O ATOM 323 OP2 G A 11 0.753 -0.640 8.396 1.00 0.00 O ATOM 324 O5' G A 11 -1.726 -0.270 8.358 1.00 0.00 O ATOM 325 C5' G A 11 -2.988 0.107 8.924 1.00 0.00 C ATOM 326 C4' G A 11 -4.019 0.447 7.850 1.00 0.00 C ATOM 327 O4' G A 11 -3.508 1.469 6.985 1.00 0.00 O ATOM 328 C3' G A 11 -4.347 -0.677 6.890 1.00 0.00 C ATOM 329 O3' G A 11 -5.374 -1.474 7.496 1.00 0.00 O ATOM 330 C2' G A 11 -4.972 0.085 5.733 1.00 0.00 C ATOM 331 O2' G A 11 -6.310 0.482 6.054 1.00 0.00 O ATOM 332 C1' G A 11 -4.049 1.307 5.656 1.00 0.00 C ATOM 333 N9 G A 11 -2.939 1.112 4.700 1.00 0.00 N ATOM 334 C8 G A 11 -1.618 0.840 4.959 1.00 0.00 C ATOM 335 N7 G A 11 -0.889 0.722 3.886 1.00 0.00 N ATOM 336 C5 G A 11 -1.786 0.931 2.844 1.00 0.00 C ATOM 337 C6 G A 11 -1.573 0.925 1.439 1.00 0.00 C ATOM 338 O6 G A 11 -0.527 0.737 0.825 1.00 0.00 O ATOM 339 N1 G A 11 -2.741 1.176 0.746 1.00 0.00 N ATOM 340 C2 G A 11 -3.963 1.408 1.322 1.00 0.00 C ATOM 341 N2 G A 11 -4.981 1.639 0.505 1.00 0.00 N ATOM 342 N3 G A 11 -4.180 1.417 2.635 1.00 0.00 N ATOM 343 C4 G A 11 -3.046 1.170 3.334 1.00 0.00 C ATOM 0 H5' G A 11 -2.849 0.968 9.578 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.365 -0.707 9.543 1.00 0.00 H new ATOM 0 H4' G A 11 -4.902 0.720 8.429 1.00 0.00 H new ATOM 0 H3' G A 11 -3.505 -1.313 6.617 1.00 0.00 H new ATOM 0 H2' G A 11 -5.050 -0.483 4.806 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.627 -0.030 6.827 1.00 0.00 H new ATOM 0 H1' G A 11 -4.607 2.177 5.311 1.00 0.00 H new ATOM 0 H8 G A 11 -1.221 0.734 5.958 1.00 0.00 H new ATOM 0 H1 G A 11 -2.690 1.190 -0.273 1.00 0.00 H new ATOM 0 H21 G A 11 -5.910 1.817 0.886 1.00 0.00 H new ATOM 0 H22 G A 11 -4.835 1.639 -0.504 1.00 0.00 H new ATOM 355 P U A 12 -5.251 -3.079 7.522 1.00 0.00 P ATOM 356 OP1 U A 12 -6.443 -3.625 8.210 1.00 0.00 O ATOM 357 OP2 U A 12 -3.896 -3.435 7.998 1.00 0.00 O ATOM 358 O5' U A 12 -5.347 -3.457 5.961 1.00 0.00 O ATOM 359 C5' U A 12 -6.584 -3.324 5.247 1.00 0.00 C ATOM 360 C4' U A 12 -6.368 -3.401 3.740 1.00 0.00 C ATOM 361 O4' U A 12 -5.567 -2.293 3.313 1.00 0.00 O ATOM 362 C3' U A 12 -5.585 -4.614 3.279 1.00 0.00 C ATOM 363 O3' U A 12 -6.529 -5.661 3.026 1.00 0.00 O ATOM 364 C2' U A 12 -5.031 -4.149 1.944 1.00 0.00 C ATOM 365 O2' U A 12 -6.038 -4.196 0.928 1.00 0.00 O ATOM 366 C1' U A 12 -4.661 -2.699 2.270 1.00 0.00 C ATOM 367 N1 U A 12 -3.276 -2.567 2.774 1.00 0.00 N ATOM 368 C2 U A 12 -2.267 -2.391 1.845 1.00 0.00 C ATOM 369 O2 U A 12 -2.477 -2.359 0.634 1.00 0.00 O ATOM 370 N3 U A 12 -0.995 -2.265 2.354 1.00 0.00 N ATOM 371 C4 U A 12 -0.642 -2.299 3.684 1.00 0.00 C ATOM 372 O4 U A 12 0.534 -2.179 4.009 1.00 0.00 O ATOM 373 C5 U A 12 -1.745 -2.485 4.596 1.00 0.00 C ATOM 374 C6 U A 12 -3.006 -2.610 4.119 1.00 0.00 C ATOM 0 H5' U A 12 -7.052 -2.373 5.501 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.272 -4.110 5.558 1.00 0.00 H new ATOM 0 H4' U A 12 -7.375 -3.427 3.324 1.00 0.00 H new ATOM 0 H3' U A 12 -4.828 -4.965 3.981 1.00 0.00 H new ATOM 0 H2' U A 12 -4.208 -4.754 1.564 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.704 -4.877 1.159 1.00 0.00 H new ATOM 0 H1' U A 12 -4.730 -2.090 1.369 1.00 0.00 H new ATOM 0 H3 U A 12 -0.240 -2.134 1.680 1.00 0.00 H new ATOM 0 H5 U A 12 -1.564 -2.525 5.660 1.00 0.00 H new ATOM 0 H6 U A 12 -3.820 -2.747 4.815 1.00 0.00 H new ATOM 385 P C A 13 -6.263 -7.158 3.565 1.00 0.00 P ATOM 386 OP1 C A 13 -7.571 -7.790 3.848 1.00 0.00 O ATOM 387 OP2 C A 13 -5.228 -7.095 4.622 1.00 0.00 O ATOM 388 O5' C A 13 -5.618 -7.877 2.277 1.00 0.00 O ATOM 389 C5' C A 13 -6.428 -8.219 1.146 1.00 0.00 C ATOM 390 C4' C A 13 -5.586 -8.407 -0.109 1.00 0.00 C ATOM 391 O4' C A 13 -4.876 -7.194 -0.387 1.00 0.00 O ATOM 392 C3' C A 13 -4.498 -9.457 0.008 1.00 0.00 C ATOM 393 O3' C A 13 -5.068 -10.695 -0.440 1.00 0.00 O ATOM 394 C2' C A 13 -3.492 -9.004 -1.040 1.00 0.00 C ATOM 395 O2' C A 13 -3.911 -9.397 -2.349 1.00 0.00 O ATOM 396 C1' C A 13 -3.557 -7.481 -0.884 1.00 0.00 C ATOM 397 N1 C A 13 -2.564 -6.958 0.080 1.00 0.00 N ATOM 398 C2 C A 13 -1.370 -6.470 -0.427 1.00 0.00 C ATOM 399 O2 C A 13 -1.147 -6.498 -1.634 1.00 0.00 O ATOM 400 N3 C A 13 -0.451 -5.964 0.438 1.00 0.00 N ATOM 401 C4 C A 13 -0.691 -5.939 1.751 1.00 0.00 C ATOM 402 N4 C A 13 0.249 -5.430 2.540 1.00 0.00 N ATOM 403 C5 C A 13 -1.919 -6.442 2.286 1.00 0.00 C ATOM 404 C6 C A 13 -2.822 -6.940 1.420 1.00 0.00 C ATOM 0 H5' C A 13 -7.166 -7.435 0.976 1.00 0.00 H new ATOM 0 H5'' C A 13 -6.979 -9.136 1.356 1.00 0.00 H new ATOM 0 H4' C A 13 -6.301 -8.708 -0.875 1.00 0.00 H new ATOM 0 H3' C A 13 -4.078 -9.575 1.007 1.00 0.00 H new ATOM 0 H2' C A 13 -2.495 -9.426 -0.915 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.414 -10.236 -2.293 1.00 0.00 H new ATOM 0 H1' C A 13 -3.339 -7.009 -1.842 1.00 0.00 H new ATOM 0 H41 C A 13 0.103 -5.393 3.549 1.00 0.00 H new ATOM 0 H42 C A 13 1.117 -5.076 2.137 1.00 0.00 H new ATOM 0 H5 C A 13 -2.115 -6.423 3.348 1.00 0.00 H new ATOM 0 H6 C A 13 -3.759 -7.329 1.789 1.00 0.00 H new ATOM 416 P C A 14 -5.372 -11.894 0.593 1.00 0.00 P ATOM 417 OP1 C A 14 -6.630 -12.556 0.182 1.00 0.00 O ATOM 418 OP2 C A 14 -5.228 -11.371 1.971 1.00 0.00 O ATOM 419 O5' C A 14 -4.152 -12.914 0.321 1.00 0.00 O ATOM 420 C5' C A 14 -4.049 -13.617 -0.926 1.00 0.00 C ATOM 421 C4' C A 14 -2.657 -13.481 -1.530 1.00 0.00 C ATOM 422 O4' C A 14 -2.334 -12.091 -1.656 1.00 0.00 O ATOM 423 C3' C A 14 -1.531 -14.043 -0.678 1.00 0.00 C ATOM 424 O3' C A 14 -1.390 -15.452 -0.876 1.00 0.00 O ATOM 425 C2' C A 14 -0.339 -13.288 -1.248 1.00 0.00 C ATOM 426 O2' C A 14 0.050 -13.838 -2.512 1.00 0.00 O ATOM 427 C1' C A 14 -0.930 -11.887 -1.430 1.00 0.00 C ATOM 428 N1 C A 14 -0.762 -11.044 -0.226 1.00 0.00 N ATOM 429 C2 C A 14 0.277 -10.125 -0.221 1.00 0.00 C ATOM 430 O2 C A 14 1.014 -10.010 -1.197 1.00 0.00 O ATOM 431 N3 C A 14 0.461 -9.354 0.882 1.00 0.00 N ATOM 432 C4 C A 14 -0.342 -9.479 1.943 1.00 0.00 C ATOM 433 N4 C A 14 -0.096 -8.705 2.996 1.00 0.00 N ATOM 434 C5 C A 14 -1.418 -10.419 1.948 1.00 0.00 C ATOM 435 C6 C A 14 -1.592 -11.177 0.851 1.00 0.00 C ATOM 0 H5' C A 14 -4.790 -13.230 -1.626 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.278 -14.671 -0.771 1.00 0.00 H new ATOM 0 H4' C A 14 -2.714 -14.033 -2.468 1.00 0.00 H new ATOM 0 H3' C A 14 -1.672 -13.923 0.396 1.00 0.00 H new ATOM 0 H2' C A 14 0.554 -13.323 -0.624 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.213 -14.781 -2.553 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.658 -15.789 -0.318 1.00 0.00 H new ATOM 0 H1' C A 14 -0.426 -11.373 -2.248 1.00 0.00 H new ATOM 0 H41 C A 14 -0.686 -8.770 3.826 1.00 0.00 H new ATOM 0 H42 C A 14 0.683 -8.046 2.974 1.00 0.00 H new ATOM 0 H5 C A 14 -2.069 -10.517 2.804 1.00 0.00 H new ATOM 0 H6 C A 14 -2.396 -11.898 0.821 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.405 0.412 3.220 1.00 0.00 CO HETATM 450 N1 NCO A 15 4.603 2.371 3.484 1.00 0.00 N HETATM 451 N2 NCO A 15 4.207 -1.548 2.955 1.00 0.00 N HETATM 452 N3 NCO A 15 4.771 0.637 1.281 1.00 0.00 N HETATM 453 N4 NCO A 15 4.039 0.187 5.161 1.00 0.00 N HETATM 454 N5 NCO A 15 2.462 0.654 2.882 1.00 0.00 N HETATM 455 N6 NCO A 15 6.348 0.171 3.559 1.00 0.00 N