USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.235 USER MOD Single : A 1 G O5' : rot 180:sc=-9.24e-05 USER MOD Single : A 2 G O2' : rot 180:sc= -0.37 USER MOD Single : A 3 A O2' : rot -31:sc= 0.14 USER MOD Single : A 4 U O2' : rot 180:sc= -0.22 USER MOD Single : A 5 G O2' : rot -12:sc= 0.14 USER MOD Single : A 6 U O2' : rot -15:sc= -0.422 USER MOD Single : A 7 C O2' : rot 180:sc= -0.309 USER MOD Single : A 8 C O2' : rot -21:sc= 0.133 USER MOD Single : A 8 C O3' : rot 180:sc= 0.185 USER MOD Single : B 9 G O2' : rot 180:sc= -0.254 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.377 USER MOD Single : B 11 A O2' : rot -26:sc= 0.161 USER MOD Single : B 12 U O2' : rot -1:sc= -0.189 USER MOD Single : B 13 G O2' : rot -17:sc= 0.188 USER MOD Single : B 14 U O2' : rot -15:sc= -0.454 USER MOD Single : B 15 C O2' : rot -10:sc= -0.179 USER MOD Single : B 16 C O2' : rot -28:sc= 0.139 USER MOD Single : B 16 C O3' : rot 180:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.121 -8.142 5.938 1.00 0.00 O ATOM 2 C5' G A 1 6.473 -8.546 6.008 1.00 0.00 C ATOM 3 C4' G A 1 7.389 -7.425 5.507 1.00 0.00 C ATOM 4 O4' G A 1 7.133 -7.114 4.139 1.00 0.00 O ATOM 5 C3' G A 1 7.191 -6.121 6.252 1.00 0.00 C ATOM 6 O3' G A 1 7.783 -6.131 7.538 1.00 0.00 O ATOM 7 C2' G A 1 7.889 -5.181 5.300 1.00 0.00 C ATOM 8 O2' G A 1 9.287 -5.345 5.402 1.00 0.00 O ATOM 9 C1' G A 1 7.427 -5.721 3.946 1.00 0.00 C ATOM 10 N9 G A 1 6.201 -5.006 3.527 1.00 0.00 N ATOM 11 C8 G A 1 4.899 -5.438 3.550 1.00 0.00 C ATOM 12 N7 G A 1 4.040 -4.553 3.128 1.00 0.00 N ATOM 13 C5 G A 1 4.826 -3.452 2.801 1.00 0.00 C ATOM 14 C6 G A 1 4.447 -2.176 2.290 1.00 0.00 C ATOM 15 O6 G A 1 3.320 -1.766 2.024 1.00 0.00 O ATOM 16 N1 G A 1 5.551 -1.353 2.096 1.00 0.00 N ATOM 17 C2 G A 1 6.857 -1.707 2.361 1.00 0.00 C ATOM 18 N2 G A 1 7.792 -0.782 2.119 1.00 0.00 N ATOM 19 N3 G A 1 7.217 -2.902 2.844 1.00 0.00 N ATOM 20 C4 G A 1 6.152 -3.722 3.039 1.00 0.00 C ATOM 0 H5' G A 1 6.623 -9.443 5.408 1.00 0.00 H new ATOM 0 H5'' G A 1 6.730 -8.803 7.036 1.00 0.00 H new ATOM 0 H4' G A 1 8.397 -7.810 5.663 1.00 0.00 H new ATOM 0 H3' G A 1 6.153 -5.870 6.472 1.00 0.00 H new ATOM 0 H2' G A 1 7.671 -4.128 5.476 1.00 0.00 H new ATOM 0 HO2' G A 1 9.734 -4.733 4.781 1.00 0.00 H new ATOM 0 HO5' G A 1 4.546 -8.867 6.259 1.00 0.00 H new ATOM 0 H1' G A 1 8.189 -5.582 3.179 1.00 0.00 H new ATOM 0 H8 G A 1 4.612 -6.423 3.887 1.00 0.00 H new ATOM 0 H1 G A 1 5.382 -0.416 1.730 1.00 0.00 H new ATOM 0 H21 G A 1 8.774 -0.991 2.297 1.00 0.00 H new ATOM 0 H22 G A 1 7.523 0.132 1.756 1.00 0.00 H new ATOM 33 P G A 2 7.427 -4.985 8.622 1.00 0.00 P ATOM 34 OP1 G A 2 8.175 -5.280 9.864 1.00 0.00 O ATOM 35 OP2 G A 2 5.954 -4.849 8.669 1.00 0.00 O ATOM 36 O5' G A 2 8.032 -3.637 7.980 1.00 0.00 O ATOM 37 C5' G A 2 9.425 -3.406 7.957 1.00 0.00 C ATOM 38 C4' G A 2 9.713 -2.068 7.271 1.00 0.00 C ATOM 39 O4' G A 2 9.200 -2.049 5.936 1.00 0.00 O ATOM 40 C3' G A 2 9.050 -0.893 7.964 1.00 0.00 C ATOM 41 O3' G A 2 9.728 -0.491 9.141 1.00 0.00 O ATOM 42 C2' G A 2 9.160 0.132 6.861 1.00 0.00 C ATOM 43 O2' G A 2 10.499 0.559 6.726 1.00 0.00 O ATOM 44 C1' G A 2 8.784 -0.704 5.643 1.00 0.00 C ATOM 45 N9 G A 2 7.315 -0.655 5.461 1.00 0.00 N ATOM 46 C8 G A 2 6.372 -1.601 5.774 1.00 0.00 C ATOM 47 N7 G A 2 5.149 -1.241 5.504 1.00 0.00 N ATOM 48 C5 G A 2 5.284 0.040 4.981 1.00 0.00 C ATOM 49 C6 G A 2 4.287 0.946 4.516 1.00 0.00 C ATOM 50 O6 G A 2 3.071 0.779 4.465 1.00 0.00 O ATOM 51 N1 G A 2 4.845 2.144 4.085 1.00 0.00 N ATOM 52 C2 G A 2 6.192 2.436 4.092 1.00 0.00 C ATOM 53 N2 G A 2 6.547 3.644 3.640 1.00 0.00 N ATOM 54 N3 G A 2 7.131 1.587 4.523 1.00 0.00 N ATOM 55 C4 G A 2 6.607 0.411 4.954 1.00 0.00 C ATOM 0 H5' G A 2 9.929 -4.214 7.427 1.00 0.00 H new ATOM 0 H5'' G A 2 9.819 -3.397 8.973 1.00 0.00 H new ATOM 0 H4' G A 2 10.798 -1.973 7.302 1.00 0.00 H new ATOM 0 H3' G A 2 8.041 -1.085 8.328 1.00 0.00 H new ATOM 0 H2' G A 2 8.554 1.024 7.019 1.00 0.00 H new ATOM 0 HO2' G A 2 10.560 1.222 6.007 1.00 0.00 H new ATOM 0 H1' G A 2 9.256 -0.337 4.732 1.00 0.00 H new ATOM 0 H8 G A 2 6.621 -2.559 6.206 1.00 0.00 H new ATOM 0 H1 G A 2 4.209 2.862 3.737 1.00 0.00 H new ATOM 0 H21 G A 2 7.531 3.913 3.623 1.00 0.00 H new ATOM 0 H22 G A 2 5.834 4.296 3.313 1.00 0.00 H new ATOM 67 P A A 3 9.011 0.479 10.225 1.00 0.00 P ATOM 68 OP1 A A 3 9.975 0.734 11.318 1.00 0.00 O ATOM 69 OP2 A A 3 7.683 -0.093 10.538 1.00 0.00 O ATOM 70 O5' A A 3 8.780 1.865 9.429 1.00 0.00 O ATOM 71 C5' A A 3 9.869 2.695 9.091 1.00 0.00 C ATOM 72 C4' A A 3 9.371 3.919 8.317 1.00 0.00 C ATOM 73 O4' A A 3 8.639 3.533 7.151 1.00 0.00 O ATOM 74 C3' A A 3 8.422 4.798 9.107 1.00 0.00 C ATOM 75 O3' A A 3 9.101 5.654 10.002 1.00 0.00 O ATOM 76 C2' A A 3 7.754 5.573 8.004 1.00 0.00 C ATOM 77 O2' A A 3 8.621 6.585 7.532 1.00 0.00 O ATOM 78 C1' A A 3 7.597 4.503 6.930 1.00 0.00 C ATOM 79 N9 A A 3 6.267 3.857 7.056 1.00 0.00 N ATOM 80 C8 A A 3 5.954 2.587 7.473 1.00 0.00 C ATOM 81 N7 A A 3 4.682 2.306 7.411 1.00 0.00 N ATOM 82 C5 A A 3 4.106 3.478 6.937 1.00 0.00 C ATOM 83 C6 A A 3 2.775 3.838 6.657 1.00 0.00 C ATOM 84 N6 A A 3 1.742 3.001 6.809 1.00 0.00 N ATOM 85 N1 A A 3 2.545 5.093 6.230 1.00 0.00 N ATOM 86 C2 A A 3 3.574 5.923 6.080 1.00 0.00 C ATOM 87 N3 A A 3 4.864 5.700 6.293 1.00 0.00 N ATOM 88 C4 A A 3 5.062 4.435 6.731 1.00 0.00 C ATOM 0 H5' A A 3 10.587 2.140 8.488 1.00 0.00 H new ATOM 0 H5'' A A 3 10.390 3.012 9.994 1.00 0.00 H new ATOM 0 H4' A A 3 10.283 4.468 8.080 1.00 0.00 H new ATOM 0 H3' A A 3 7.739 4.240 9.747 1.00 0.00 H new ATOM 0 H2' A A 3 6.826 6.061 8.301 1.00 0.00 H new ATOM 0 HO2' A A 3 9.194 6.893 8.265 1.00 0.00 H new ATOM 0 H1' A A 3 7.671 4.934 5.931 1.00 0.00 H new ATOM 0 H8 A A 3 6.695 1.883 7.821 1.00 0.00 H new ATOM 0 H61 A A 3 0.796 3.314 6.591 1.00 0.00 H new ATOM 0 H62 A A 3 1.901 2.050 7.143 1.00 0.00 H new ATOM 0 H2 A A 3 3.324 6.916 5.737 1.00 0.00 H new ATOM 100 P U A 4 8.717 5.681 11.560 1.00 0.00 P ATOM 101 OP1 U A 4 9.699 6.526 12.274 1.00 0.00 O ATOM 102 OP2 U A 4 8.464 4.295 12.008 1.00 0.00 O ATOM 103 O5' U A 4 7.316 6.468 11.500 1.00 0.00 O ATOM 104 C5' U A 4 7.283 7.841 11.167 1.00 0.00 C ATOM 105 C4' U A 4 5.846 8.280 10.885 1.00 0.00 C ATOM 106 O4' U A 4 5.318 7.592 9.754 1.00 0.00 O ATOM 107 C3' U A 4 4.897 7.971 12.024 1.00 0.00 C ATOM 108 O3' U A 4 5.005 8.909 13.078 1.00 0.00 O ATOM 109 C2' U A 4 3.573 8.067 11.302 1.00 0.00 C ATOM 110 O2' U A 4 3.230 9.423 11.108 1.00 0.00 O ATOM 111 C1' U A 4 3.903 7.451 9.940 1.00 0.00 C ATOM 112 N1 U A 4 3.520 6.017 9.924 1.00 0.00 N ATOM 113 C2 U A 4 2.187 5.727 9.684 1.00 0.00 C ATOM 114 O2 U A 4 1.357 6.611 9.487 1.00 0.00 O ATOM 115 N3 U A 4 1.838 4.385 9.678 1.00 0.00 N ATOM 116 C4 U A 4 2.700 3.323 9.899 1.00 0.00 C ATOM 117 O4 U A 4 2.284 2.167 9.884 1.00 0.00 O ATOM 118 C5 U A 4 4.076 3.715 10.127 1.00 0.00 C ATOM 119 C6 U A 4 4.439 5.019 10.130 1.00 0.00 C ATOM 0 H5' U A 4 7.906 8.026 10.292 1.00 0.00 H new ATOM 0 H5'' U A 4 7.698 8.431 11.984 1.00 0.00 H new ATOM 0 H4' U A 4 5.909 9.357 10.727 1.00 0.00 H new ATOM 0 H3' U A 4 5.075 7.017 12.521 1.00 0.00 H new ATOM 0 H2' U A 4 2.751 7.588 11.834 1.00 0.00 H new ATOM 0 HO2' U A 4 2.372 9.479 10.639 1.00 0.00 H new ATOM 0 H1' U A 4 3.355 7.948 9.140 1.00 0.00 H new ATOM 0 H3 U A 4 0.860 4.160 9.495 1.00 0.00 H new ATOM 0 H5 U A 4 4.824 2.955 10.297 1.00 0.00 H new ATOM 0 H6 U A 4 5.474 5.279 10.298 1.00 0.00 H new ATOM 130 P G A 5 4.238 8.672 14.478 1.00 0.00 P ATOM 131 OP1 G A 5 4.634 9.751 15.409 1.00 0.00 O ATOM 132 OP2 G A 5 4.429 7.258 14.869 1.00 0.00 O ATOM 133 O5' G A 5 2.686 8.881 14.102 1.00 0.00 O ATOM 134 C5' G A 5 2.153 10.176 13.902 1.00 0.00 C ATOM 135 C4' G A 5 0.664 10.063 13.567 1.00 0.00 C ATOM 136 O4' G A 5 0.458 9.299 12.385 1.00 0.00 O ATOM 137 C3' G A 5 -0.102 9.321 14.643 1.00 0.00 C ATOM 138 O3' G A 5 -0.385 10.139 15.767 1.00 0.00 O ATOM 139 C2' G A 5 -1.353 8.951 13.886 1.00 0.00 C ATOM 140 O2' G A 5 -2.258 10.036 13.893 1.00 0.00 O ATOM 141 C1' G A 5 -0.854 8.730 12.464 1.00 0.00 C ATOM 142 N9 G A 5 -0.817 7.283 12.182 1.00 0.00 N ATOM 143 C8 G A 5 0.235 6.417 12.270 1.00 0.00 C ATOM 144 N7 G A 5 -0.066 5.181 11.979 1.00 0.00 N ATOM 145 C5 G A 5 -1.426 5.231 11.683 1.00 0.00 C ATOM 146 C6 G A 5 -2.326 4.190 11.302 1.00 0.00 C ATOM 147 O6 G A 5 -2.093 2.995 11.127 1.00 0.00 O ATOM 148 N1 G A 5 -3.612 4.672 11.124 1.00 0.00 N ATOM 149 C2 G A 5 -3.999 5.983 11.276 1.00 0.00 C ATOM 150 N2 G A 5 -5.289 6.255 11.051 1.00 0.00 N ATOM 151 N3 G A 5 -3.162 6.964 11.625 1.00 0.00 N ATOM 152 C4 G A 5 -1.894 6.516 11.813 1.00 0.00 C ATOM 0 H5' G A 5 2.683 10.679 13.093 1.00 0.00 H new ATOM 0 H5'' G A 5 2.291 10.781 14.798 1.00 0.00 H new ATOM 0 H4' G A 5 0.316 11.091 13.461 1.00 0.00 H new ATOM 0 H3' G A 5 0.436 8.477 15.075 1.00 0.00 H new ATOM 0 H2' G A 5 -1.866 8.088 14.310 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.958 10.708 14.541 1.00 0.00 H new ATOM 0 H1' G A 5 -1.509 9.199 11.730 1.00 0.00 H new ATOM 0 H8 G A 5 1.229 6.728 12.555 1.00 0.00 H new ATOM 0 H1 G A 5 -4.331 3.999 10.858 1.00 0.00 H new ATOM 0 H21 G A 5 -5.633 7.210 11.149 1.00 0.00 H new ATOM 0 H22 G A 5 -5.928 5.507 10.782 1.00 0.00 H new ATOM 164 P U A 6 -0.882 9.489 17.165 1.00 0.00 P ATOM 165 OP1 U A 6 -1.029 10.583 18.151 1.00 0.00 O ATOM 166 OP2 U A 6 0.005 8.345 17.470 1.00 0.00 O ATOM 167 O5' U A 6 -2.356 8.902 16.849 1.00 0.00 O ATOM 168 C5' U A 6 -3.497 9.738 16.853 1.00 0.00 C ATOM 169 C4' U A 6 -4.765 8.896 16.626 1.00 0.00 C ATOM 170 O4' U A 6 -4.772 8.280 15.331 1.00 0.00 O ATOM 171 C3' U A 6 -4.892 7.746 17.612 1.00 0.00 C ATOM 172 O3' U A 6 -5.381 8.137 18.879 1.00 0.00 O ATOM 173 C2' U A 6 -5.894 6.888 16.886 1.00 0.00 C ATOM 174 O2' U A 6 -7.182 7.462 16.984 1.00 0.00 O ATOM 175 C1' U A 6 -5.426 6.999 15.448 1.00 0.00 C ATOM 176 N1 U A 6 -4.475 5.908 15.119 1.00 0.00 N ATOM 177 C2 U A 6 -4.995 4.743 14.570 1.00 0.00 C ATOM 178 O2 U A 6 -6.201 4.576 14.407 1.00 0.00 O ATOM 179 N3 U A 6 -4.075 3.772 14.215 1.00 0.00 N ATOM 180 C4 U A 6 -2.701 3.860 14.356 1.00 0.00 C ATOM 181 O4 U A 6 -1.978 2.924 14.025 1.00 0.00 O ATOM 182 C5 U A 6 -2.246 5.114 14.914 1.00 0.00 C ATOM 183 C6 U A 6 -3.127 6.073 15.277 1.00 0.00 C ATOM 0 H5' U A 6 -3.407 10.494 16.073 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.567 10.268 17.803 1.00 0.00 H new ATOM 0 H4' U A 6 -5.583 9.607 16.745 1.00 0.00 H new ATOM 0 H3' U A 6 -3.941 7.271 17.852 1.00 0.00 H new ATOM 0 H2' U A 6 -5.955 5.870 17.271 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.184 8.141 17.690 1.00 0.00 H new ATOM 0 H1' U A 6 -6.265 6.914 14.758 1.00 0.00 H new ATOM 0 H3 U A 6 -4.444 2.911 13.812 1.00 0.00 H new ATOM 0 H5 U A 6 -1.188 5.287 15.043 1.00 0.00 H new ATOM 0 H6 U A 6 -2.756 6.994 15.703 1.00 0.00 H new ATOM 194 P C A 7 -5.299 7.123 20.139 1.00 0.00 P ATOM 195 OP1 C A 7 -6.000 7.751 21.280 1.00 0.00 O ATOM 196 OP2 C A 7 -3.888 6.703 20.287 1.00 0.00 O ATOM 197 O5' C A 7 -6.155 5.829 19.672 1.00 0.00 O ATOM 198 C5' C A 7 -7.569 5.843 19.687 1.00 0.00 C ATOM 199 C4' C A 7 -8.115 4.478 19.243 1.00 0.00 C ATOM 200 O4' C A 7 -7.708 4.135 17.913 1.00 0.00 O ATOM 201 C3' C A 7 -7.602 3.344 20.103 1.00 0.00 C ATOM 202 O3' C A 7 -8.242 3.286 21.365 1.00 0.00 O ATOM 203 C2' C A 7 -7.963 2.167 19.227 1.00 0.00 C ATOM 204 O2' C A 7 -9.349 1.914 19.319 1.00 0.00 O ATOM 205 C1' C A 7 -7.659 2.694 17.824 1.00 0.00 C ATOM 206 N1 C A 7 -6.315 2.226 17.385 1.00 0.00 N ATOM 207 C2 C A 7 -6.203 0.896 16.988 1.00 0.00 C ATOM 208 O2 C A 7 -7.190 0.163 16.991 1.00 0.00 O ATOM 209 N3 C A 7 -4.981 0.436 16.601 1.00 0.00 N ATOM 210 C4 C A 7 -3.910 1.242 16.609 1.00 0.00 C ATOM 211 N4 C A 7 -2.730 0.753 16.218 1.00 0.00 N ATOM 212 C5 C A 7 -4.009 2.611 17.014 1.00 0.00 C ATOM 213 C6 C A 7 -5.228 3.057 17.384 1.00 0.00 C ATOM 0 H5' C A 7 -7.940 6.625 19.024 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.928 6.078 20.689 1.00 0.00 H new ATOM 0 H4' C A 7 -9.197 4.589 19.321 1.00 0.00 H new ATOM 0 H3' C A 7 -6.547 3.416 20.366 1.00 0.00 H new ATOM 0 H2' C A 7 -7.435 1.251 19.491 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.581 1.151 18.749 1.00 0.00 H new ATOM 0 H1' C A 7 -8.378 2.331 17.090 1.00 0.00 H new ATOM 0 H41 C A 7 -1.904 1.352 16.218 1.00 0.00 H new ATOM 0 H42 C A 7 -2.655 -0.219 15.920 1.00 0.00 H new ATOM 0 H5 C A 7 -3.145 3.259 17.023 1.00 0.00 H new ATOM 0 H6 C A 7 -5.347 4.087 17.684 1.00 0.00 H new ATOM 225 P C A 8 -7.655 2.356 22.546 1.00 0.00 P ATOM 226 OP1 C A 8 -8.540 2.493 23.725 1.00 0.00 O ATOM 227 OP2 C A 8 -6.210 2.645 22.677 1.00 0.00 O ATOM 228 O5' C A 8 -7.810 0.856 21.979 1.00 0.00 O ATOM 229 C5' C A 8 -9.060 0.199 21.978 1.00 0.00 C ATOM 230 C4' C A 8 -8.880 -1.225 21.445 1.00 0.00 C ATOM 231 O4' C A 8 -8.414 -1.229 20.102 1.00 0.00 O ATOM 232 C3' C A 8 -7.821 -1.986 22.208 1.00 0.00 C ATOM 233 O3' C A 8 -8.268 -2.434 23.470 1.00 0.00 O ATOM 234 C2' C A 8 -7.554 -3.122 21.272 1.00 0.00 C ATOM 235 O2' C A 8 -8.576 -4.087 21.390 1.00 0.00 O ATOM 236 C1' C A 8 -7.649 -2.433 19.916 1.00 0.00 C ATOM 237 N1 C A 8 -6.279 -2.115 19.453 1.00 0.00 N ATOM 238 C2 C A 8 -5.576 -3.115 18.786 1.00 0.00 C ATOM 239 O2 C A 8 -6.117 -4.187 18.525 1.00 0.00 O ATOM 240 N3 C A 8 -4.281 -2.872 18.441 1.00 0.00 N ATOM 241 C4 C A 8 -3.695 -1.706 18.749 1.00 0.00 C ATOM 242 N4 C A 8 -2.423 -1.507 18.390 1.00 0.00 N ATOM 243 C5 C A 8 -4.402 -0.682 19.456 1.00 0.00 C ATOM 244 C6 C A 8 -5.685 -0.931 19.780 1.00 0.00 C ATOM 0 H5' C A 8 -9.771 0.745 21.358 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.471 0.173 22.987 1.00 0.00 H new ATOM 0 H4' C A 8 -9.864 -1.683 21.544 1.00 0.00 H new ATOM 0 H3' C A 8 -6.944 -1.387 22.455 1.00 0.00 H new ATOM 0 H2' C A 8 -6.610 -3.638 21.448 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.023 -3.986 22.256 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.546 -2.921 23.919 1.00 0.00 H new ATOM 0 H1' C A 8 -8.130 -3.066 19.170 1.00 0.00 H new ATOM 0 H41 C A 8 -1.961 -0.626 18.616 1.00 0.00 H new ATOM 0 H42 C A 8 -1.914 -2.236 17.890 1.00 0.00 H new ATOM 0 H5 C A 8 -3.926 0.251 19.719 1.00 0.00 H new ATOM 0 H6 C A 8 -6.254 -0.180 20.308 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.612 -9.469 13.518 1.00 0.00 O ATOM 259 C5' G B 9 1.969 -10.724 13.467 1.00 0.00 C ATOM 260 C4' G B 9 0.537 -10.601 13.991 1.00 0.00 C ATOM 261 O4' G B 9 0.512 -10.166 15.349 1.00 0.00 O ATOM 262 C3' G B 9 -0.278 -9.569 13.239 1.00 0.00 C ATOM 263 O3' G B 9 -0.694 -10.024 11.964 1.00 0.00 O ATOM 264 C2' G B 9 -1.431 -9.414 14.201 1.00 0.00 C ATOM 265 O2' G B 9 -2.280 -10.538 14.115 1.00 0.00 O ATOM 266 C1' G B 9 -0.713 -9.444 15.552 1.00 0.00 C ATOM 267 N9 G B 9 -0.418 -8.059 15.981 1.00 0.00 N ATOM 268 C8 G B 9 0.775 -7.383 15.960 1.00 0.00 C ATOM 269 N7 G B 9 0.698 -6.156 16.393 1.00 0.00 N ATOM 270 C5 G B 9 -0.645 -6.003 16.727 1.00 0.00 C ATOM 271 C6 G B 9 -1.334 -4.870 17.251 1.00 0.00 C ATOM 272 O6 G B 9 -0.880 -3.762 17.525 1.00 0.00 O ATOM 273 N1 G B 9 -2.684 -5.138 17.448 1.00 0.00 N ATOM 274 C2 G B 9 -3.300 -6.341 17.174 1.00 0.00 C ATOM 275 N2 G B 9 -4.612 -6.416 17.422 1.00 0.00 N ATOM 276 N3 G B 9 -2.657 -7.405 16.679 1.00 0.00 N ATOM 277 C4 G B 9 -1.335 -7.165 16.481 1.00 0.00 C ATOM 0 H5' G B 9 2.522 -11.449 14.064 1.00 0.00 H new ATOM 0 H5'' G B 9 1.959 -11.095 12.442 1.00 0.00 H new ATOM 0 H4' G B 9 0.118 -11.599 13.866 1.00 0.00 H new ATOM 0 H3' G B 9 0.254 -8.648 13.000 1.00 0.00 H new ATOM 0 H2' G B 9 -2.040 -8.528 14.023 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.026 -10.433 14.742 1.00 0.00 H new ATOM 0 HO5' G B 9 3.529 -9.557 13.182 1.00 0.00 H new ATOM 0 H1' G B 9 -1.323 -9.918 16.321 1.00 0.00 H new ATOM 0 H8 G B 9 1.697 -7.828 15.615 1.00 0.00 H new ATOM 0 H1 G B 9 -3.263 -4.387 17.824 1.00 0.00 H new ATOM 0 H21 G B 9 -5.117 -7.283 17.237 1.00 0.00 H new ATOM 0 H22 G B 9 -5.107 -5.607 17.796 1.00 0.00 H new ATOM 290 P G B 10 -1.313 -8.997 10.878 1.00 0.00 P ATOM 291 OP1 G B 10 -1.614 -9.758 9.645 1.00 0.00 O ATOM 292 OP2 G B 10 -0.424 -7.816 10.812 1.00 0.00 O ATOM 293 O5' G B 10 -2.711 -8.531 11.531 1.00 0.00 O ATOM 294 C5' G B 10 -3.822 -9.402 11.564 1.00 0.00 C ATOM 295 C4' G B 10 -4.998 -8.709 12.257 1.00 0.00 C ATOM 296 O4' G B 10 -4.654 -8.314 13.588 1.00 0.00 O ATOM 297 C3' G B 10 -5.423 -7.429 11.566 1.00 0.00 C ATOM 298 O3' G B 10 -6.187 -7.659 10.395 1.00 0.00 O ATOM 299 C2' G B 10 -6.246 -6.817 12.673 1.00 0.00 C ATOM 300 O2' G B 10 -7.465 -7.516 12.816 1.00 0.00 O ATOM 301 C1' G B 10 -5.370 -7.103 13.887 1.00 0.00 C ATOM 302 N9 G B 10 -4.420 -5.981 14.070 1.00 0.00 N ATOM 303 C8 G B 10 -3.092 -5.909 13.736 1.00 0.00 C ATOM 304 N7 G B 10 -2.535 -4.765 14.017 1.00 0.00 N ATOM 305 C5 G B 10 -3.569 -4.016 14.569 1.00 0.00 C ATOM 306 C6 G B 10 -3.567 -2.677 15.057 1.00 0.00 C ATOM 307 O6 G B 10 -2.628 -1.887 15.109 1.00 0.00 O ATOM 308 N1 G B 10 -4.824 -2.296 15.511 1.00 0.00 N ATOM 309 C2 G B 10 -5.944 -3.100 15.506 1.00 0.00 C ATOM 310 N2 G B 10 -7.072 -2.561 15.979 1.00 0.00 N ATOM 311 N3 G B 10 -5.948 -4.360 15.054 1.00 0.00 N ATOM 312 C4 G B 10 -4.730 -4.751 14.601 1.00 0.00 C ATOM 0 H5' G B 10 -3.563 -10.318 12.095 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.102 -9.689 10.550 1.00 0.00 H new ATOM 0 H4' G B 10 -5.801 -9.446 12.233 1.00 0.00 H new ATOM 0 H3' G B 10 -4.602 -6.815 11.195 1.00 0.00 H new ATOM 0 H2' G B 10 -6.494 -5.767 12.515 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.991 -7.112 13.538 1.00 0.00 H new ATOM 0 H1' G B 10 -5.955 -7.210 14.800 1.00 0.00 H new ATOM 0 H8 G B 10 -2.555 -6.728 13.280 1.00 0.00 H new ATOM 0 H1 G B 10 -4.926 -1.349 15.876 1.00 0.00 H new ATOM 0 H21 G B 10 -7.931 -3.111 15.999 1.00 0.00 H new ATOM 0 H22 G B 10 -7.074 -1.600 16.320 1.00 0.00 H new ATOM 324 P A B 11 -6.432 -6.474 9.314 1.00 0.00 P ATOM 325 OP1 A B 11 -7.284 -7.013 8.231 1.00 0.00 O ATOM 326 OP2 A B 11 -5.117 -5.881 8.984 1.00 0.00 O ATOM 327 O5' A B 11 -7.287 -5.368 10.121 1.00 0.00 O ATOM 328 C5' A B 11 -8.632 -5.608 10.472 1.00 0.00 C ATOM 329 C4' A B 11 -9.184 -4.421 11.266 1.00 0.00 C ATOM 330 O4' A B 11 -8.387 -4.155 12.423 1.00 0.00 O ATOM 331 C3' A B 11 -9.196 -3.118 10.491 1.00 0.00 C ATOM 332 O3' A B 11 -10.291 -3.029 9.602 1.00 0.00 O ATOM 333 C2' A B 11 -9.317 -2.122 11.608 1.00 0.00 C ATOM 334 O2' A B 11 -10.646 -2.105 12.085 1.00 0.00 O ATOM 335 C1' A B 11 -8.410 -2.737 12.668 1.00 0.00 C ATOM 336 N9 A B 11 -7.042 -2.178 12.544 1.00 0.00 N ATOM 337 C8 A B 11 -5.890 -2.788 12.110 1.00 0.00 C ATOM 338 N7 A B 11 -4.831 -2.031 12.177 1.00 0.00 N ATOM 339 C5 A B 11 -5.314 -0.827 12.675 1.00 0.00 C ATOM 340 C6 A B 11 -4.690 0.398 12.971 1.00 0.00 C ATOM 341 N6 A B 11 -3.377 0.610 12.816 1.00 0.00 N ATOM 342 N1 A B 11 -5.467 1.401 13.420 1.00 0.00 N ATOM 343 C2 A B 11 -6.771 1.189 13.574 1.00 0.00 C ATOM 344 N3 A B 11 -7.470 0.084 13.346 1.00 0.00 N ATOM 345 C4 A B 11 -6.663 -0.901 12.888 1.00 0.00 C ATOM 0 H5' A B 11 -8.705 -6.519 11.066 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.229 -5.765 9.573 1.00 0.00 H new ATOM 0 H4' A B 11 -10.202 -4.723 11.513 1.00 0.00 H new ATOM 0 H3' A B 11 -8.326 -2.981 9.848 1.00 0.00 H new ATOM 0 H2' A B 11 -9.060 -1.100 11.328 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.254 -2.390 11.371 1.00 0.00 H new ATOM 0 H1' A B 11 -8.774 -2.520 13.672 1.00 0.00 H new ATOM 0 H8 A B 11 -5.864 -3.804 11.746 1.00 0.00 H new ATOM 0 H61 A B 11 -2.977 1.519 13.046 1.00 0.00 H new ATOM 0 H62 A B 11 -2.777 -0.138 12.467 1.00 0.00 H new ATOM 0 H2 A B 11 -7.340 2.033 13.935 1.00 0.00 H new ATOM 357 P U B 12 -10.061 -2.699 8.048 1.00 0.00 P ATOM 358 OP1 U B 12 -11.349 -2.854 7.337 1.00 0.00 O ATOM 359 OP2 U B 12 -8.862 -3.429 7.583 1.00 0.00 O ATOM 360 O5' U B 12 -9.711 -1.132 8.135 1.00 0.00 O ATOM 361 C5' U B 12 -10.711 -0.197 8.488 1.00 0.00 C ATOM 362 C4' U B 12 -10.078 1.160 8.791 1.00 0.00 C ATOM 363 O4' U B 12 -9.202 1.073 9.913 1.00 0.00 O ATOM 364 C3' U B 12 -9.226 1.684 7.655 1.00 0.00 C ATOM 365 O3' U B 12 -10.008 2.253 6.621 1.00 0.00 O ATOM 366 C2' U B 12 -8.406 2.720 8.390 1.00 0.00 C ATOM 367 O2' U B 12 -9.184 3.877 8.612 1.00 0.00 O ATOM 368 C1' U B 12 -8.156 2.037 9.737 1.00 0.00 C ATOM 369 N1 U B 12 -6.831 1.369 9.734 1.00 0.00 N ATOM 370 C2 U B 12 -5.725 2.167 9.979 1.00 0.00 C ATOM 371 O2 U B 12 -5.831 3.372 10.196 1.00 0.00 O ATOM 372 N3 U B 12 -4.492 1.533 9.967 1.00 0.00 N ATOM 373 C4 U B 12 -4.275 0.186 9.725 1.00 0.00 C ATOM 374 O4 U B 12 -3.136 -0.273 9.725 1.00 0.00 O ATOM 375 C5 U B 12 -5.486 -0.576 9.493 1.00 0.00 C ATOM 376 C6 U B 12 -6.701 0.022 9.507 1.00 0.00 C ATOM 0 H5' U B 12 -11.261 -0.553 9.359 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.430 -0.098 7.675 1.00 0.00 H new ATOM 0 H4' U B 12 -10.921 1.827 8.970 1.00 0.00 H new ATOM 0 H3' U B 12 -8.639 0.925 7.137 1.00 0.00 H new ATOM 0 H2' U B 12 -7.505 3.022 7.856 1.00 0.00 H new ATOM 0 HO2' U B 12 -10.074 3.753 8.221 1.00 0.00 H new ATOM 0 H1' U B 12 -8.156 2.762 10.551 1.00 0.00 H new ATOM 0 H3 U B 12 -3.671 2.110 10.153 1.00 0.00 H new ATOM 0 H5 U B 12 -5.418 -1.638 9.306 1.00 0.00 H new ATOM 0 H6 U B 12 -7.586 -0.573 9.336 1.00 0.00 H new ATOM 387 P G B 13 -9.335 2.700 5.224 1.00 0.00 P ATOM 388 OP1 G B 13 -10.415 3.141 4.313 1.00 0.00 O ATOM 389 OP2 G B 13 -8.411 1.625 4.799 1.00 0.00 O ATOM 390 O5' G B 13 -8.456 3.989 5.619 1.00 0.00 O ATOM 391 C5' G B 13 -9.066 5.243 5.855 1.00 0.00 C ATOM 392 C4' G B 13 -7.988 6.270 6.208 1.00 0.00 C ATOM 393 O4' G B 13 -7.268 5.881 7.372 1.00 0.00 O ATOM 394 C3' G B 13 -6.936 6.379 5.125 1.00 0.00 C ATOM 395 O3' G B 13 -7.370 7.162 4.022 1.00 0.00 O ATOM 396 C2' G B 13 -5.824 7.051 5.892 1.00 0.00 C ATOM 397 O2' G B 13 -6.050 8.442 5.933 1.00 0.00 O ATOM 398 C1' G B 13 -5.974 6.489 7.300 1.00 0.00 C ATOM 399 N9 G B 13 -4.913 5.495 7.543 1.00 0.00 N ATOM 400 C8 G B 13 -4.965 4.136 7.421 1.00 0.00 C ATOM 401 N7 G B 13 -3.838 3.534 7.688 1.00 0.00 N ATOM 402 C5 G B 13 -2.970 4.576 8.003 1.00 0.00 C ATOM 403 C6 G B 13 -1.591 4.549 8.373 1.00 0.00 C ATOM 404 O6 G B 13 -0.851 3.578 8.519 1.00 0.00 O ATOM 405 N1 G B 13 -1.096 5.826 8.575 1.00 0.00 N ATOM 406 C2 G B 13 -1.820 6.989 8.457 1.00 0.00 C ATOM 407 N2 G B 13 -1.165 8.129 8.703 1.00 0.00 N ATOM 408 N3 G B 13 -3.112 7.023 8.120 1.00 0.00 N ATOM 409 C4 G B 13 -3.621 5.783 7.907 1.00 0.00 C ATOM 0 H5' G B 13 -9.788 5.162 6.668 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.616 5.565 4.971 1.00 0.00 H new ATOM 0 H4' G B 13 -8.523 7.210 6.346 1.00 0.00 H new ATOM 0 H3' G B 13 -6.665 5.429 4.665 1.00 0.00 H new ATOM 0 H2' G B 13 -4.841 6.881 5.453 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.700 8.688 5.242 1.00 0.00 H new ATOM 0 H1' G B 13 -5.883 7.268 8.057 1.00 0.00 H new ATOM 0 H8 G B 13 -5.860 3.606 7.129 1.00 0.00 H new ATOM 0 H1 G B 13 -0.113 5.911 8.833 1.00 0.00 H new ATOM 0 H21 G B 13 -1.652 9.023 8.631 1.00 0.00 H new ATOM 0 H22 G B 13 -0.179 8.105 8.963 1.00 0.00 H new ATOM 421 P U B 14 -6.590 7.110 2.602 1.00 0.00 P ATOM 422 OP1 U B 14 -7.332 7.956 1.642 1.00 0.00 O ATOM 423 OP2 U B 14 -6.336 5.689 2.280 1.00 0.00 O ATOM 424 O5' U B 14 -5.164 7.816 2.889 1.00 0.00 O ATOM 425 C5' U B 14 -5.004 9.220 2.804 1.00 0.00 C ATOM 426 C4' U B 14 -3.529 9.589 3.032 1.00 0.00 C ATOM 427 O4' U B 14 -3.075 9.188 4.331 1.00 0.00 O ATOM 428 C3' U B 14 -2.594 8.894 2.058 1.00 0.00 C ATOM 429 O3' U B 14 -2.562 9.494 0.778 1.00 0.00 O ATOM 430 C2' U B 14 -1.290 9.086 2.781 1.00 0.00 C ATOM 431 O2' U B 14 -0.875 10.431 2.671 1.00 0.00 O ATOM 432 C1' U B 14 -1.684 8.821 4.221 1.00 0.00 C ATOM 433 N1 U B 14 -1.500 7.387 4.559 1.00 0.00 N ATOM 434 C2 U B 14 -0.274 7.003 5.086 1.00 0.00 C ATOM 435 O2 U B 14 0.655 7.794 5.233 1.00 0.00 O ATOM 436 N3 U B 14 -0.152 5.670 5.439 1.00 0.00 N ATOM 437 C4 U B 14 -1.132 4.700 5.311 1.00 0.00 C ATOM 438 O4 U B 14 -0.905 3.537 5.634 1.00 0.00 O ATOM 439 C5 U B 14 -2.381 5.192 4.775 1.00 0.00 C ATOM 440 C6 U B 14 -2.520 6.488 4.417 1.00 0.00 C ATOM 0 H5' U B 14 -5.631 9.713 3.547 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.330 9.574 1.826 1.00 0.00 H new ATOM 0 H4' U B 14 -3.499 10.671 2.903 1.00 0.00 H new ATOM 0 H3' U B 14 -2.874 7.864 1.837 1.00 0.00 H new ATOM 0 H2' U B 14 -0.484 8.457 2.403 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.382 10.873 1.958 1.00 0.00 H new ATOM 0 H1' U B 14 -1.064 9.394 4.911 1.00 0.00 H new ATOM 0 H3 U B 14 0.743 5.375 5.830 1.00 0.00 H new ATOM 0 H5 U B 14 -3.214 4.515 4.659 1.00 0.00 H new ATOM 0 H6 U B 14 -3.462 6.822 4.008 1.00 0.00 H new ATOM 451 P C B 15 -1.856 8.735 -0.466 1.00 0.00 P ATOM 452 OP1 C B 15 -1.869 9.650 -1.629 1.00 0.00 O ATOM 453 OP2 C B 15 -2.468 7.394 -0.583 1.00 0.00 O ATOM 454 O5' C B 15 -0.318 8.540 0.002 1.00 0.00 O ATOM 455 C5' C B 15 0.597 9.618 -0.023 1.00 0.00 C ATOM 456 C4' C B 15 1.987 9.139 0.423 1.00 0.00 C ATOM 457 O4' C B 15 1.978 8.611 1.754 1.00 0.00 O ATOM 458 C3' C B 15 2.510 8.009 -0.438 1.00 0.00 C ATOM 459 O3' C B 15 2.988 8.462 -1.690 1.00 0.00 O ATOM 460 C2' C B 15 3.624 7.495 0.444 1.00 0.00 C ATOM 461 O2' C B 15 4.739 8.359 0.359 1.00 0.00 O ATOM 462 C1' C B 15 3.020 7.614 1.844 1.00 0.00 C ATOM 463 N1 C B 15 2.469 6.298 2.274 1.00 0.00 N ATOM 464 C2 C B 15 3.381 5.322 2.667 1.00 0.00 C ATOM 465 O2 C B 15 4.586 5.564 2.669 1.00 0.00 O ATOM 466 N3 C B 15 2.903 4.104 3.045 1.00 0.00 N ATOM 467 C4 C B 15 1.588 3.848 3.034 1.00 0.00 C ATOM 468 N4 C B 15 1.160 2.641 3.416 1.00 0.00 N ATOM 469 C5 C B 15 0.638 4.841 2.637 1.00 0.00 C ATOM 470 C6 C B 15 1.123 6.047 2.273 1.00 0.00 C ATOM 0 H5' C B 15 0.250 10.415 0.634 1.00 0.00 H new ATOM 0 H5'' C B 15 0.653 10.035 -1.028 1.00 0.00 H new ATOM 0 H4' C B 15 2.613 10.028 0.345 1.00 0.00 H new ATOM 0 H3' C B 15 1.762 7.265 -0.712 1.00 0.00 H new ATOM 0 H2' C B 15 3.958 6.492 0.179 1.00 0.00 H new ATOM 0 HO2' C B 15 4.604 8.997 -0.373 1.00 0.00 H new ATOM 0 H1' C B 15 3.767 7.905 2.583 1.00 0.00 H new ATOM 0 H41 C B 15 0.162 2.429 3.414 1.00 0.00 H new ATOM 0 H42 C B 15 1.831 1.931 3.710 1.00 0.00 H new ATOM 0 H5 C B 15 -0.422 4.635 2.629 1.00 0.00 H new ATOM 0 H6 C B 15 0.438 6.827 1.976 1.00 0.00 H new ATOM 482 P C B 16 3.292 7.417 -2.884 1.00 0.00 P ATOM 483 OP1 C B 16 3.789 8.181 -4.050 1.00 0.00 O ATOM 484 OP2 C B 16 2.109 6.541 -3.033 1.00 0.00 O ATOM 485 O5' C B 16 4.505 6.520 -2.322 1.00 0.00 O ATOM 486 C5' C B 16 5.832 7.006 -2.312 1.00 0.00 C ATOM 487 C4' C B 16 6.766 5.909 -1.795 1.00 0.00 C ATOM 488 O4' C B 16 6.461 5.545 -0.457 1.00 0.00 O ATOM 489 C3' C B 16 6.614 4.623 -2.574 1.00 0.00 C ATOM 490 O3' C B 16 7.241 4.667 -3.838 1.00 0.00 O ATOM 491 C2' C B 16 7.277 3.649 -1.652 1.00 0.00 C ATOM 492 O2' C B 16 8.679 3.756 -1.775 1.00 0.00 O ATOM 493 C1' C B 16 6.839 4.168 -0.287 1.00 0.00 C ATOM 494 N1 C B 16 5.686 3.363 0.173 1.00 0.00 N ATOM 495 C2 C B 16 5.957 2.160 0.819 1.00 0.00 C ATOM 496 O2 C B 16 7.117 1.835 1.066 1.00 0.00 O ATOM 497 N3 C B 16 4.909 1.360 1.160 1.00 0.00 N ATOM 498 C4 C B 16 3.651 1.716 0.869 1.00 0.00 C ATOM 499 N4 C B 16 2.650 0.903 1.223 1.00 0.00 N ATOM 500 C5 C B 16 3.363 2.939 0.182 1.00 0.00 C ATOM 501 C6 C B 16 4.407 3.725 -0.137 1.00 0.00 C ATOM 0 H5' C B 16 5.904 7.890 -1.678 1.00 0.00 H new ATOM 0 H5'' C B 16 6.128 7.309 -3.316 1.00 0.00 H new ATOM 0 H4' C B 16 7.766 6.331 -1.891 1.00 0.00 H new ATOM 0 H3' C B 16 5.580 4.381 -2.821 1.00 0.00 H new ATOM 0 H2' C B 16 7.020 2.606 -1.839 1.00 0.00 H new ATOM 0 HO2' C B 16 8.906 4.060 -2.679 1.00 0.00 H new ATOM 0 HO3' C B 16 7.113 3.811 -4.297 1.00 0.00 H new ATOM 0 H1' C B 16 7.635 4.091 0.454 1.00 0.00 H new ATOM 0 H41 C B 16 1.686 1.158 1.009 1.00 0.00 H new ATOM 0 H42 C B 16 2.851 0.028 1.707 1.00 0.00 H new ATOM 0 H5 C B 16 2.351 3.218 -0.069 1.00 0.00 H new ATOM 0 H6 C B 16 4.230 4.660 -0.648 1.00 0.00 H new TER 514 C B 16