USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 153 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 110:sc= -5.7! USER MOD Single : A 1 G O5' : rot 160:sc= -0.307 USER MOD Single : A 2 G O2' : rot -20:sc= 0.404 USER MOD Single : A 3 C O2' : rot -29:sc= 0.397 USER MOD Single : A 4 C O2' : rot -34:sc= 0.283 USER MOD Single : A 5 U O2' : rot -20:sc= 0.373 USER MOD Single : A 6 G O2' : rot -129:sc= -6.44! USER MOD Single : A 7 A O2' : rot 140:sc= -5.92! USER MOD Single : A 8 U O2' : rot 140:sc= 0.716 USER MOD Single : A 9 A O2' : rot -81:sc= 0.624 USER MOD Single : A 10 G O2' : rot -73:sc= 0.817 USER MOD Single : A 11 G O2' : rot -26:sc= 0.38 USER MOD Single : A 12 G O2' : rot -30:sc= 0.383 USER MOD Single : A 13 U O2' : rot -25:sc= -0.25 USER MOD Single : A 14 C O2' : rot -21:sc= 0.211 USER MOD Single : A 14 C O3' : rot 180:sc= 0.217 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.342 2.205 2.798 1.00 0.00 O ATOM 2 C5' G A 1 -3.532 2.402 4.202 1.00 0.00 C ATOM 3 C4' G A 1 -3.070 1.192 5.008 1.00 0.00 C ATOM 4 O4' G A 1 -3.843 0.049 4.624 1.00 0.00 O ATOM 5 C3' G A 1 -1.632 0.771 4.762 1.00 0.00 C ATOM 6 O3' G A 1 -0.829 1.404 5.765 1.00 0.00 O ATOM 7 C2' G A 1 -1.647 -0.718 5.068 1.00 0.00 C ATOM 8 O2' G A 1 -1.548 -0.948 6.476 1.00 0.00 O ATOM 9 C1' G A 1 -3.024 -1.130 4.555 1.00 0.00 C ATOM 10 N9 G A 1 -2.984 -1.598 3.157 1.00 0.00 N ATOM 11 C8 G A 1 -2.961 -0.854 2.005 1.00 0.00 C ATOM 12 N7 G A 1 -2.928 -1.572 0.917 1.00 0.00 N ATOM 13 C5 G A 1 -2.929 -2.883 1.379 1.00 0.00 C ATOM 14 C6 G A 1 -2.901 -4.104 0.653 1.00 0.00 C ATOM 15 O6 G A 1 -2.871 -4.267 -0.565 1.00 0.00 O ATOM 16 N1 G A 1 -2.913 -5.201 1.500 1.00 0.00 N ATOM 17 C2 G A 1 -2.946 -5.138 2.875 1.00 0.00 C ATOM 18 N2 G A 1 -2.951 -6.295 3.534 1.00 0.00 N ATOM 19 N3 G A 1 -2.973 -3.997 3.565 1.00 0.00 N ATOM 20 C4 G A 1 -2.962 -2.912 2.752 1.00 0.00 C ATOM 0 H5' G A 1 -4.586 2.593 4.404 1.00 0.00 H new ATOM 0 H5'' G A 1 -2.981 3.286 4.524 1.00 0.00 H new ATOM 0 H4' G A 1 -3.183 1.498 6.048 1.00 0.00 H new ATOM 0 H3' G A 1 -1.261 1.015 3.766 1.00 0.00 H new ATOM 0 H2' G A 1 -0.821 -1.269 4.619 1.00 0.00 H new ATOM 0 HO2' G A 1 -2.403 -1.290 6.813 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.918 2.822 2.300 1.00 0.00 H new ATOM 0 H1' G A 1 -3.407 -1.954 5.156 1.00 0.00 H new ATOM 0 H8 G A 1 -2.969 0.226 2.000 1.00 0.00 H new ATOM 0 H1 G A 1 -2.896 -6.127 1.072 1.00 0.00 H new ATOM 0 H21 G A 1 -2.975 -6.301 4.554 1.00 0.00 H new ATOM 0 H22 G A 1 -2.931 -7.175 3.019 1.00 0.00 H new ATOM 33 P G A 2 0.708 1.791 5.469 1.00 0.00 P ATOM 34 OP1 G A 2 0.852 3.256 5.620 1.00 0.00 O ATOM 35 OP2 G A 2 1.117 1.139 4.205 1.00 0.00 O ATOM 36 O5' G A 2 1.504 1.081 6.678 1.00 0.00 O ATOM 37 C5' G A 2 0.835 0.207 7.598 1.00 0.00 C ATOM 38 C4' G A 2 1.767 -0.886 8.113 1.00 0.00 C ATOM 39 O4' G A 2 1.014 -2.088 8.310 1.00 0.00 O ATOM 40 C3' G A 2 2.873 -1.281 7.147 1.00 0.00 C ATOM 41 O3' G A 2 4.038 -0.541 7.526 1.00 0.00 O ATOM 42 C2' G A 2 3.137 -2.742 7.479 1.00 0.00 C ATOM 43 O2' G A 2 4.033 -2.857 8.588 1.00 0.00 O ATOM 44 C1' G A 2 1.743 -3.243 7.862 1.00 0.00 C ATOM 45 N9 G A 2 1.021 -3.844 6.719 1.00 0.00 N ATOM 46 C8 G A 2 -0.253 -3.578 6.279 1.00 0.00 C ATOM 47 N7 G A 2 -0.607 -4.280 5.241 1.00 0.00 N ATOM 48 C5 G A 2 0.506 -5.067 4.970 1.00 0.00 C ATOM 49 C6 G A 2 0.708 -6.033 3.948 1.00 0.00 C ATOM 50 O6 G A 2 -0.071 -6.381 3.065 1.00 0.00 O ATOM 51 N1 G A 2 1.969 -6.599 4.023 1.00 0.00 N ATOM 52 C2 G A 2 2.923 -6.281 4.962 1.00 0.00 C ATOM 53 N2 G A 2 4.087 -6.926 4.882 1.00 0.00 N ATOM 54 N3 G A 2 2.745 -5.376 5.930 1.00 0.00 N ATOM 55 C4 G A 2 1.513 -4.809 5.870 1.00 0.00 C ATOM 0 H5' G A 2 -0.025 -0.249 7.108 1.00 0.00 H new ATOM 0 H5'' G A 2 0.453 0.786 8.439 1.00 0.00 H new ATOM 0 H4' G A 2 2.211 -0.471 9.018 1.00 0.00 H new ATOM 0 H3' G A 2 2.629 -1.109 6.099 1.00 0.00 H new ATOM 0 H2' G A 2 3.599 -3.299 6.664 1.00 0.00 H new ATOM 0 HO2' G A 2 4.525 -2.017 8.700 1.00 0.00 H new ATOM 0 H1' G A 2 1.833 -4.018 8.623 1.00 0.00 H new ATOM 0 H8 G A 2 -0.901 -2.854 6.750 1.00 0.00 H new ATOM 0 H1 G A 2 2.209 -7.306 3.329 1.00 0.00 H new ATOM 0 H21 G A 2 4.828 -6.727 5.554 1.00 0.00 H new ATOM 0 H22 G A 2 4.237 -7.619 4.148 1.00 0.00 H new ATOM 67 P C A 3 4.920 0.230 6.419 1.00 0.00 P ATOM 68 OP1 C A 3 6.009 0.952 7.113 1.00 0.00 O ATOM 69 OP2 C A 3 4.001 0.967 5.522 1.00 0.00 O ATOM 70 O5' C A 3 5.568 -0.983 5.583 1.00 0.00 O ATOM 71 C5' C A 3 6.715 -1.683 6.078 1.00 0.00 C ATOM 72 C4' C A 3 7.206 -2.720 5.074 1.00 0.00 C ATOM 73 O4' C A 3 6.282 -3.813 5.046 1.00 0.00 O ATOM 74 C3' C A 3 7.261 -2.228 3.636 1.00 0.00 C ATOM 75 O3' C A 3 8.602 -1.793 3.393 1.00 0.00 O ATOM 76 C2' C A 3 7.040 -3.493 2.823 1.00 0.00 C ATOM 77 O2' C A 3 8.262 -4.224 2.678 1.00 0.00 O ATOM 78 C1' C A 3 6.056 -4.266 3.701 1.00 0.00 C ATOM 79 N1 C A 3 4.645 -4.000 3.341 1.00 0.00 N ATOM 80 C2 C A 3 4.065 -4.801 2.367 1.00 0.00 C ATOM 81 O2 C A 3 4.718 -5.688 1.824 1.00 0.00 O ATOM 82 N3 C A 3 2.763 -4.580 2.032 1.00 0.00 N ATOM 83 C4 C A 3 2.057 -3.610 2.628 1.00 0.00 C ATOM 84 N4 C A 3 0.786 -3.448 2.260 1.00 0.00 N ATOM 85 C5 C A 3 2.648 -2.778 3.629 1.00 0.00 C ATOM 86 C6 C A 3 3.933 -3.005 3.952 1.00 0.00 C ATOM 0 H5' C A 3 6.466 -2.174 7.019 1.00 0.00 H new ATOM 0 H5'' C A 3 7.514 -0.972 6.290 1.00 0.00 H new ATOM 0 H4' C A 3 8.212 -2.979 5.405 1.00 0.00 H new ATOM 0 H3' C A 3 6.553 -1.430 3.411 1.00 0.00 H new ATOM 0 H2' C A 3 6.683 -3.308 1.810 1.00 0.00 H new ATOM 0 HO2' C A 3 9.019 -3.602 2.695 1.00 0.00 H new ATOM 0 H1' C A 3 6.219 -5.336 3.574 1.00 0.00 H new ATOM 0 H41 C A 3 0.219 -2.719 2.693 1.00 0.00 H new ATOM 0 H42 C A 3 0.381 -4.053 1.546 1.00 0.00 H new ATOM 0 H5 C A 3 2.082 -1.994 4.109 1.00 0.00 H new ATOM 0 H6 C A 3 4.409 -2.393 4.704 1.00 0.00 H new ATOM 98 P C A 4 8.897 -0.304 2.854 1.00 0.00 P ATOM 99 OP1 C A 4 10.334 -0.015 3.058 1.00 0.00 O ATOM 100 OP2 C A 4 7.874 0.605 3.418 1.00 0.00 O ATOM 101 O5' C A 4 8.630 -0.445 1.274 1.00 0.00 O ATOM 102 C5' C A 4 9.446 -1.306 0.469 1.00 0.00 C ATOM 103 C4' C A 4 8.907 -1.421 -0.954 1.00 0.00 C ATOM 104 O4' C A 4 7.925 -2.462 -1.006 1.00 0.00 O ATOM 105 C3' C A 4 8.160 -0.197 -1.457 1.00 0.00 C ATOM 106 O3' C A 4 9.112 0.651 -2.107 1.00 0.00 O ATOM 107 C2' C A 4 7.257 -0.782 -2.527 1.00 0.00 C ATOM 108 O2' C A 4 7.990 -1.041 -3.729 1.00 0.00 O ATOM 109 C1' C A 4 6.830 -2.088 -1.864 1.00 0.00 C ATOM 110 N1 C A 4 5.628 -1.895 -1.031 1.00 0.00 N ATOM 111 C2 C A 4 4.388 -2.122 -1.612 1.00 0.00 C ATOM 112 O2 C A 4 4.308 -2.517 -2.775 1.00 0.00 O ATOM 113 N3 C A 4 3.271 -1.898 -0.869 1.00 0.00 N ATOM 114 C4 C A 4 3.367 -1.466 0.395 1.00 0.00 C ATOM 115 N4 C A 4 2.237 -1.249 1.067 1.00 0.00 N ATOM 116 C5 C A 4 4.642 -1.232 0.997 1.00 0.00 C ATOM 117 C6 C A 4 5.735 -1.461 0.257 1.00 0.00 C ATOM 0 H5' C A 4 9.490 -2.296 0.923 1.00 0.00 H new ATOM 0 H5'' C A 4 10.466 -0.922 0.443 1.00 0.00 H new ATOM 0 H4' C A 4 9.795 -1.587 -1.563 1.00 0.00 H new ATOM 0 H3' C A 4 7.635 0.362 -0.683 1.00 0.00 H new ATOM 0 H2' C A 4 6.433 -0.133 -2.826 1.00 0.00 H new ATOM 0 HO2' C A 4 8.690 -0.363 -3.838 1.00 0.00 H new ATOM 0 H1' C A 4 6.597 -2.842 -2.616 1.00 0.00 H new ATOM 0 H41 C A 4 2.273 -0.920 2.032 1.00 0.00 H new ATOM 0 H42 C A 4 1.336 -1.412 0.617 1.00 0.00 H new ATOM 0 H5 C A 4 4.722 -0.882 2.016 1.00 0.00 H new ATOM 0 H6 C A 4 6.713 -1.300 0.686 1.00 0.00 H new ATOM 129 P U A 5 8.739 2.175 -2.472 1.00 0.00 P ATOM 130 OP1 U A 5 9.898 2.780 -3.165 1.00 0.00 O ATOM 131 OP2 U A 5 8.187 2.821 -1.260 1.00 0.00 O ATOM 132 O5' U A 5 7.544 2.001 -3.538 1.00 0.00 O ATOM 133 C5' U A 5 7.429 2.880 -4.662 1.00 0.00 C ATOM 134 C4' U A 5 5.981 3.064 -5.094 1.00 0.00 C ATOM 135 O4' U A 5 5.196 1.971 -4.607 1.00 0.00 O ATOM 136 C3' U A 5 5.303 4.295 -4.520 1.00 0.00 C ATOM 137 O3' U A 5 5.466 5.348 -5.476 1.00 0.00 O ATOM 138 C2' U A 5 3.832 3.910 -4.513 1.00 0.00 C ATOM 139 O2' U A 5 3.248 4.117 -5.802 1.00 0.00 O ATOM 140 C1' U A 5 3.897 2.419 -4.189 1.00 0.00 C ATOM 141 N1 U A 5 3.736 2.149 -2.741 1.00 0.00 N ATOM 142 C2 U A 5 2.445 2.068 -2.243 1.00 0.00 C ATOM 143 O2 U A 5 1.450 2.214 -2.951 1.00 0.00 O ATOM 144 N3 U A 5 2.335 1.816 -0.890 1.00 0.00 N ATOM 145 C4 U A 5 3.383 1.639 -0.004 1.00 0.00 C ATOM 146 O4 U A 5 3.156 1.421 1.182 1.00 0.00 O ATOM 147 C5 U A 5 4.696 1.738 -0.598 1.00 0.00 C ATOM 148 C6 U A 5 4.827 1.985 -1.925 1.00 0.00 C ATOM 0 H5' U A 5 8.008 2.482 -5.495 1.00 0.00 H new ATOM 0 H5'' U A 5 7.858 3.850 -4.410 1.00 0.00 H new ATOM 0 H4' U A 5 6.029 3.144 -6.180 1.00 0.00 H new ATOM 0 H3' U A 5 5.684 4.602 -3.546 1.00 0.00 H new ATOM 0 H2' U A 5 3.228 4.491 -3.816 1.00 0.00 H new ATOM 0 HO2' U A 5 3.799 4.746 -6.313 1.00 0.00 H new ATOM 0 H1' U A 5 3.086 1.900 -4.699 1.00 0.00 H new ATOM 0 H3 U A 5 1.392 1.754 -0.507 1.00 0.00 H new ATOM 0 H5 U A 5 5.576 1.615 0.016 1.00 0.00 H new ATOM 0 H6 U A 5 5.817 2.055 -2.351 1.00 0.00 H new ATOM 159 P G A 6 5.869 6.835 -5.002 1.00 0.00 P ATOM 160 OP1 G A 6 6.115 7.654 -6.208 1.00 0.00 O ATOM 161 OP2 G A 6 6.916 6.722 -3.961 1.00 0.00 O ATOM 162 O5' G A 6 4.517 7.358 -4.301 1.00 0.00 O ATOM 163 C5' G A 6 3.324 7.551 -5.071 1.00 0.00 C ATOM 164 C4' G A 6 2.072 7.313 -4.234 1.00 0.00 C ATOM 165 O4' G A 6 2.241 6.138 -3.453 1.00 0.00 O ATOM 166 C3' G A 6 1.778 8.383 -3.194 1.00 0.00 C ATOM 167 O3' G A 6 0.849 9.303 -3.779 1.00 0.00 O ATOM 168 C2' G A 6 1.043 7.631 -2.073 1.00 0.00 C ATOM 169 O2' G A 6 -0.353 7.876 -2.123 1.00 0.00 O ATOM 170 C1' G A 6 1.303 6.159 -2.377 1.00 0.00 C ATOM 171 N9 G A 6 1.874 5.462 -1.208 1.00 0.00 N ATOM 172 C8 G A 6 3.191 5.212 -0.916 1.00 0.00 C ATOM 173 N7 G A 6 3.372 4.629 0.235 1.00 0.00 N ATOM 174 C5 G A 6 2.085 4.479 0.742 1.00 0.00 C ATOM 175 C6 G A 6 1.648 3.908 1.971 1.00 0.00 C ATOM 176 O6 G A 6 2.329 3.421 2.869 1.00 0.00 O ATOM 177 N1 G A 6 0.269 3.954 2.094 1.00 0.00 N ATOM 178 C2 G A 6 -0.589 4.485 1.158 1.00 0.00 C ATOM 179 N2 G A 6 -1.892 4.446 1.441 1.00 0.00 N ATOM 180 N3 G A 6 -0.191 5.024 0.003 1.00 0.00 N ATOM 181 C4 G A 6 1.157 4.986 -0.135 1.00 0.00 C ATOM 0 H5' G A 6 3.327 6.872 -5.924 1.00 0.00 H new ATOM 0 H5'' G A 6 3.308 8.565 -5.471 1.00 0.00 H new ATOM 0 H4' G A 6 1.269 7.278 -4.970 1.00 0.00 H new ATOM 0 H3' G A 6 2.668 8.908 -2.848 1.00 0.00 H new ATOM 0 H2' G A 6 1.387 7.941 -1.086 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.667 8.158 -1.239 1.00 0.00 H new ATOM 0 H1' G A 6 0.373 5.650 -2.630 1.00 0.00 H new ATOM 0 H8 G A 6 4.002 5.474 -1.579 1.00 0.00 H new ATOM 0 H1 G A 6 -0.142 3.565 2.943 1.00 0.00 H new ATOM 0 H21 G A 6 -2.569 4.827 0.780 1.00 0.00 H new ATOM 0 H22 G A 6 -2.211 4.036 2.319 1.00 0.00 H new ATOM 193 P A A 7 0.562 10.737 -3.091 1.00 0.00 P ATOM 194 OP1 A A 7 0.586 11.770 -4.150 1.00 0.00 O ATOM 195 OP2 A A 7 1.442 10.873 -1.907 1.00 0.00 O ATOM 196 O5' A A 7 -0.955 10.579 -2.574 1.00 0.00 O ATOM 197 C5' A A 7 -1.792 9.557 -3.119 1.00 0.00 C ATOM 198 C4' A A 7 -2.967 9.225 -2.229 1.00 0.00 C ATOM 199 O4' A A 7 -2.509 8.381 -1.158 1.00 0.00 O ATOM 200 C3' A A 7 -3.599 10.402 -1.521 1.00 0.00 C ATOM 201 O3' A A 7 -4.851 9.865 -1.079 1.00 0.00 O ATOM 202 C2' A A 7 -2.664 10.557 -0.329 1.00 0.00 C ATOM 203 O2' A A 7 -3.243 11.336 0.703 1.00 0.00 O ATOM 204 C1' A A 7 -2.502 9.102 0.083 1.00 0.00 C ATOM 205 N9 A A 7 -1.229 8.832 0.784 1.00 0.00 N ATOM 206 C8 A A 7 0.025 9.310 0.505 1.00 0.00 C ATOM 207 N7 A A 7 0.948 8.861 1.308 1.00 0.00 N ATOM 208 C5 A A 7 0.256 8.029 2.178 1.00 0.00 C ATOM 209 C6 A A 7 0.662 7.245 3.271 1.00 0.00 C ATOM 210 N6 A A 7 1.925 7.165 3.689 1.00 0.00 N ATOM 211 N1 A A 7 -0.279 6.541 3.918 1.00 0.00 N ATOM 212 C2 A A 7 -1.537 6.612 3.504 1.00 0.00 C ATOM 213 N3 A A 7 -2.045 7.307 2.497 1.00 0.00 N ATOM 214 C4 A A 7 -1.074 8.003 1.870 1.00 0.00 C ATOM 0 H5' A A 7 -1.199 8.657 -3.281 1.00 0.00 H new ATOM 0 H5'' A A 7 -2.160 9.877 -4.094 1.00 0.00 H new ATOM 0 H4' A A 7 -3.699 8.781 -2.903 1.00 0.00 H new ATOM 0 H3' A A 7 -3.739 11.332 -2.072 1.00 0.00 H new ATOM 0 H2' A A 7 -1.731 11.075 -0.550 1.00 0.00 H new ATOM 0 HO2' A A 7 -3.017 10.946 1.573 1.00 0.00 H new ATOM 0 H1' A A 7 -3.291 8.816 0.779 1.00 0.00 H new ATOM 0 H8 A A 7 0.229 9.995 -0.305 1.00 0.00 H new ATOM 0 H61 A A 7 2.161 6.579 4.490 1.00 0.00 H new ATOM 0 H62 A A 7 2.655 7.690 3.208 1.00 0.00 H new ATOM 0 H2 A A 7 -2.246 6.021 4.066 1.00 0.00 H new ATOM 226 P U A 8 -6.029 10.690 -0.356 1.00 0.00 P ATOM 227 OP1 U A 8 -7.098 10.939 -1.349 1.00 0.00 O ATOM 228 OP2 U A 8 -5.464 11.813 0.420 1.00 0.00 O ATOM 229 O5' U A 8 -6.541 9.556 0.664 1.00 0.00 O ATOM 230 C5' U A 8 -6.361 8.174 0.306 1.00 0.00 C ATOM 231 C4' U A 8 -5.685 7.360 1.410 1.00 0.00 C ATOM 232 O4' U A 8 -4.629 8.127 2.002 1.00 0.00 O ATOM 233 C3' U A 8 -6.598 6.985 2.571 1.00 0.00 C ATOM 234 O3' U A 8 -6.067 5.790 3.162 1.00 0.00 O ATOM 235 C2' U A 8 -6.359 8.120 3.541 1.00 0.00 C ATOM 236 O2' U A 8 -6.717 7.751 4.876 1.00 0.00 O ATOM 237 C1' U A 8 -4.864 8.293 3.402 1.00 0.00 C ATOM 238 N1 U A 8 -4.415 9.636 3.802 1.00 0.00 N ATOM 239 C2 U A 8 -4.258 9.891 5.154 1.00 0.00 C ATOM 240 O2 U A 8 -4.457 9.040 6.018 1.00 0.00 O ATOM 241 N3 U A 8 -3.860 11.171 5.483 1.00 0.00 N ATOM 242 C4 U A 8 -3.607 12.198 4.595 1.00 0.00 C ATOM 243 O4 U A 8 -3.256 13.301 5.012 1.00 0.00 O ATOM 244 C5 U A 8 -3.790 11.852 3.204 1.00 0.00 C ATOM 245 C6 U A 8 -4.182 10.598 2.860 1.00 0.00 C ATOM 0 H5' U A 8 -5.762 8.114 -0.603 1.00 0.00 H new ATOM 0 H5'' U A 8 -7.331 7.733 0.078 1.00 0.00 H new ATOM 0 H4' U A 8 -5.349 6.452 0.909 1.00 0.00 H new ATOM 0 H3' U A 8 -7.643 6.833 2.301 1.00 0.00 H new ATOM 0 H2' U A 8 -6.943 9.018 3.340 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.057 8.113 5.504 1.00 0.00 H new ATOM 0 H1' U A 8 -4.327 7.589 4.038 1.00 0.00 H new ATOM 0 H3 U A 8 -3.742 11.378 6.475 1.00 0.00 H new ATOM 0 H5 U A 8 -3.615 12.592 2.437 1.00 0.00 H new ATOM 0 H6 U A 8 -4.313 10.355 1.816 1.00 0.00 H new ATOM 256 P A A 9 -7.043 4.681 3.813 1.00 0.00 P ATOM 257 OP1 A A 9 -7.440 5.147 5.160 1.00 0.00 O ATOM 258 OP2 A A 9 -6.408 3.355 3.649 1.00 0.00 O ATOM 259 O5' A A 9 -8.337 4.750 2.854 1.00 0.00 O ATOM 260 C5' A A 9 -8.694 3.643 2.018 1.00 0.00 C ATOM 261 C4' A A 9 -9.345 4.121 0.720 1.00 0.00 C ATOM 262 O4' A A 9 -8.863 5.444 0.421 1.00 0.00 O ATOM 263 C3' A A 9 -8.998 3.296 -0.522 1.00 0.00 C ATOM 264 O3' A A 9 -10.105 2.425 -0.792 1.00 0.00 O ATOM 265 C2' A A 9 -8.960 4.343 -1.626 1.00 0.00 C ATOM 266 O2' A A 9 -10.281 4.705 -2.038 1.00 0.00 O ATOM 267 C1' A A 9 -8.295 5.489 -0.894 1.00 0.00 C ATOM 268 N9 A A 9 -6.832 5.314 -0.801 1.00 0.00 N ATOM 269 C8 A A 9 -6.101 4.707 0.186 1.00 0.00 C ATOM 270 N7 A A 9 -4.816 4.702 -0.042 1.00 0.00 N ATOM 271 C5 A A 9 -4.694 5.357 -1.262 1.00 0.00 C ATOM 272 C6 A A 9 -3.587 5.684 -2.058 1.00 0.00 C ATOM 273 N6 A A 9 -2.328 5.388 -1.733 1.00 0.00 N ATOM 274 N1 A A 9 -3.817 6.336 -3.208 1.00 0.00 N ATOM 275 C2 A A 9 -5.064 6.639 -3.539 1.00 0.00 C ATOM 276 N3 A A 9 -6.184 6.389 -2.882 1.00 0.00 N ATOM 277 C4 A A 9 -5.917 5.734 -1.734 1.00 0.00 C ATOM 0 H5' A A 9 -9.380 2.986 2.552 1.00 0.00 H new ATOM 0 H5'' A A 9 -7.805 3.056 1.788 1.00 0.00 H new ATOM 0 H4' A A 9 -10.417 4.048 0.904 1.00 0.00 H new ATOM 0 H3' A A 9 -8.082 2.713 -0.426 1.00 0.00 H new ATOM 0 H2' A A 9 -8.456 4.024 -2.538 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.621 4.037 -2.670 1.00 0.00 H new ATOM 0 H1' A A 9 -8.457 6.434 -1.412 1.00 0.00 H new ATOM 0 H8 A A 9 -6.546 4.274 1.069 1.00 0.00 H new ATOM 0 H61 A A 9 -1.565 5.653 -2.355 1.00 0.00 H new ATOM 0 H62 A A 9 -2.128 4.896 -0.862 1.00 0.00 H new ATOM 0 H2 A A 9 -5.182 7.163 -4.476 1.00 0.00 H new ATOM 289 P G A 10 -10.054 1.389 -2.032 1.00 0.00 P ATOM 290 OP1 G A 10 -11.395 0.783 -2.185 1.00 0.00 O ATOM 291 OP2 G A 10 -8.866 0.521 -1.865 1.00 0.00 O ATOM 292 O5' G A 10 -9.795 2.369 -3.286 1.00 0.00 O ATOM 293 C5' G A 10 -10.085 1.959 -4.627 1.00 0.00 C ATOM 294 C4' G A 10 -8.824 1.596 -5.410 1.00 0.00 C ATOM 295 O4' G A 10 -7.807 2.571 -5.157 1.00 0.00 O ATOM 296 C3' G A 10 -8.168 0.284 -5.026 1.00 0.00 C ATOM 297 O3' G A 10 -8.749 -0.741 -5.840 1.00 0.00 O ATOM 298 C2' G A 10 -6.736 0.486 -5.499 1.00 0.00 C ATOM 299 O2' G A 10 -6.630 0.273 -6.910 1.00 0.00 O ATOM 300 C1' G A 10 -6.503 1.959 -5.164 1.00 0.00 C ATOM 301 N9 G A 10 -5.889 2.128 -3.833 1.00 0.00 N ATOM 302 C8 G A 10 -6.502 2.144 -2.610 1.00 0.00 C ATOM 303 N7 G A 10 -5.676 2.268 -1.610 1.00 0.00 N ATOM 304 C5 G A 10 -4.426 2.342 -2.214 1.00 0.00 C ATOM 305 C6 G A 10 -3.138 2.482 -1.629 1.00 0.00 C ATOM 306 O6 G A 10 -2.845 2.565 -0.440 1.00 0.00 O ATOM 307 N1 G A 10 -2.141 2.517 -2.591 1.00 0.00 N ATOM 308 C2 G A 10 -2.352 2.425 -3.950 1.00 0.00 C ATOM 309 N2 G A 10 -1.276 2.471 -4.733 1.00 0.00 N ATOM 310 N3 G A 10 -3.558 2.291 -4.508 1.00 0.00 N ATOM 311 C4 G A 10 -4.545 2.257 -3.580 1.00 0.00 C ATOM 0 H5' G A 10 -10.612 2.761 -5.144 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.756 1.100 -4.605 1.00 0.00 H new ATOM 0 H4' G A 10 -9.172 1.538 -6.441 1.00 0.00 H new ATOM 0 H3' G A 10 -8.264 0.021 -3.972 1.00 0.00 H new ATOM 0 H2' G A 10 -6.020 -0.197 -5.042 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.707 -0.685 -7.103 1.00 0.00 H new ATOM 0 H1' G A 10 -5.825 2.407 -5.891 1.00 0.00 H new ATOM 0 H8 G A 10 -7.572 2.061 -2.485 1.00 0.00 H new ATOM 0 H1 G A 10 -1.178 2.618 -2.269 1.00 0.00 H new ATOM 0 H21 G A 10 -1.379 2.407 -5.746 1.00 0.00 H new ATOM 0 H22 G A 10 -0.349 2.570 -4.320 1.00 0.00 H new ATOM 323 P G A 11 -8.367 -2.290 -5.607 1.00 0.00 P ATOM 324 OP1 G A 11 -9.352 -3.121 -6.337 1.00 0.00 O ATOM 325 OP2 G A 11 -8.152 -2.503 -4.158 1.00 0.00 O ATOM 326 O5' G A 11 -6.947 -2.418 -6.360 1.00 0.00 O ATOM 327 C5' G A 11 -5.755 -2.740 -5.633 1.00 0.00 C ATOM 328 C4' G A 11 -4.520 -2.120 -6.283 1.00 0.00 C ATOM 329 O4' G A 11 -4.212 -0.885 -5.627 1.00 0.00 O ATOM 330 C3' G A 11 -3.251 -2.946 -6.153 1.00 0.00 C ATOM 331 O3' G A 11 -3.141 -3.730 -7.346 1.00 0.00 O ATOM 332 C2' G A 11 -2.147 -1.899 -6.196 1.00 0.00 C ATOM 333 O2' G A 11 -1.848 -1.534 -7.546 1.00 0.00 O ATOM 334 C1' G A 11 -2.793 -0.726 -5.458 1.00 0.00 C ATOM 335 N9 G A 11 -2.487 -0.729 -4.012 1.00 0.00 N ATOM 336 C8 G A 11 -3.357 -0.667 -2.953 1.00 0.00 C ATOM 337 N7 G A 11 -2.769 -0.660 -1.791 1.00 0.00 N ATOM 338 C5 G A 11 -1.415 -0.722 -2.099 1.00 0.00 C ATOM 339 C6 G A 11 -0.286 -0.744 -1.237 1.00 0.00 C ATOM 340 O6 G A 11 -0.264 -0.707 -0.010 1.00 0.00 O ATOM 341 N1 G A 11 0.900 -0.810 -1.950 1.00 0.00 N ATOM 342 C2 G A 11 0.995 -0.853 -3.322 1.00 0.00 C ATOM 343 N2 G A 11 2.220 -0.929 -3.838 1.00 0.00 N ATOM 344 N3 G A 11 -0.059 -0.832 -4.142 1.00 0.00 N ATOM 345 C4 G A 11 -1.229 -0.766 -3.459 1.00 0.00 C ATOM 0 H5' G A 11 -5.638 -3.823 -5.585 1.00 0.00 H new ATOM 0 H5'' G A 11 -5.846 -2.383 -4.607 1.00 0.00 H new ATOM 0 H4' G A 11 -4.782 -2.025 -7.337 1.00 0.00 H new ATOM 0 H3' G A 11 -3.220 -3.584 -5.270 1.00 0.00 H new ATOM 0 H2' G A 11 -1.205 -2.235 -5.762 1.00 0.00 H new ATOM 0 HO2' G A 11 -2.074 -2.277 -8.144 1.00 0.00 H new ATOM 0 H1' G A 11 -2.412 0.212 -5.861 1.00 0.00 H new ATOM 0 H8 G A 11 -4.430 -0.628 -3.072 1.00 0.00 H new ATOM 0 H1 G A 11 1.769 -0.828 -1.417 1.00 0.00 H new ATOM 0 H21 G A 11 2.346 -0.964 -4.850 1.00 0.00 H new ATOM 0 H22 G A 11 3.032 -0.953 -3.222 1.00 0.00 H new ATOM 357 P G A 12 -2.812 -5.306 -7.272 1.00 0.00 P ATOM 358 OP1 G A 12 -3.533 -5.982 -8.375 1.00 0.00 O ATOM 359 OP2 G A 12 -3.007 -5.761 -5.877 1.00 0.00 O ATOM 360 O5' G A 12 -1.236 -5.348 -7.600 1.00 0.00 O ATOM 361 C5' G A 12 -0.575 -6.590 -7.870 1.00 0.00 C ATOM 362 C4' G A 12 0.886 -6.562 -7.426 1.00 0.00 C ATOM 363 O4' G A 12 1.199 -5.258 -6.922 1.00 0.00 O ATOM 364 C3' G A 12 1.215 -7.502 -6.275 1.00 0.00 C ATOM 365 O3' G A 12 1.713 -8.713 -6.849 1.00 0.00 O ATOM 366 C2' G A 12 2.383 -6.813 -5.585 1.00 0.00 C ATOM 367 O2' G A 12 3.610 -7.093 -6.264 1.00 0.00 O ATOM 368 C1' G A 12 2.010 -5.340 -5.739 1.00 0.00 C ATOM 369 N9 G A 12 1.222 -4.842 -4.594 1.00 0.00 N ATOM 370 C8 G A 12 -0.069 -4.378 -4.578 1.00 0.00 C ATOM 371 N7 G A 12 -0.482 -4.013 -3.398 1.00 0.00 N ATOM 372 C5 G A 12 0.609 -4.254 -2.573 1.00 0.00 C ATOM 373 C6 G A 12 0.756 -4.051 -1.176 1.00 0.00 C ATOM 374 O6 G A 12 -0.071 -3.613 -0.379 1.00 0.00 O ATOM 375 N1 G A 12 2.015 -4.421 -0.735 1.00 0.00 N ATOM 376 C2 G A 12 3.015 -4.925 -1.534 1.00 0.00 C ATOM 377 N2 G A 12 4.169 -5.227 -0.941 1.00 0.00 N ATOM 378 N3 G A 12 2.889 -5.121 -2.848 1.00 0.00 N ATOM 379 C4 G A 12 1.661 -4.762 -3.295 1.00 0.00 C ATOM 0 H5' G A 12 -0.627 -6.805 -8.937 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.096 -7.398 -7.357 1.00 0.00 H new ATOM 0 H4' G A 12 1.451 -6.859 -8.310 1.00 0.00 H new ATOM 0 H3' G A 12 0.373 -7.711 -5.616 1.00 0.00 H new ATOM 0 H2' G A 12 2.537 -7.130 -4.553 1.00 0.00 H new ATOM 0 HO2' G A 12 3.555 -7.975 -6.689 1.00 0.00 H new ATOM 0 H1' G A 12 2.915 -4.736 -5.795 1.00 0.00 H new ATOM 0 H8 G A 12 -0.686 -4.321 -5.463 1.00 0.00 H new ATOM 0 H1 G A 12 2.217 -4.311 0.259 1.00 0.00 H new ATOM 0 H21 G A 12 4.941 -5.604 -1.490 1.00 0.00 H new ATOM 0 H22 G A 12 4.280 -5.081 0.062 1.00 0.00 H new ATOM 391 P U A 13 1.662 -10.095 -6.022 1.00 0.00 P ATOM 392 OP1 U A 13 1.811 -11.214 -6.979 1.00 0.00 O ATOM 393 OP2 U A 13 0.492 -10.051 -5.116 1.00 0.00 O ATOM 394 O5' U A 13 2.997 -10.017 -5.125 1.00 0.00 O ATOM 395 C5' U A 13 3.224 -10.961 -4.073 1.00 0.00 C ATOM 396 C4' U A 13 4.084 -10.369 -2.959 1.00 0.00 C ATOM 397 O4' U A 13 3.804 -8.969 -2.835 1.00 0.00 O ATOM 398 C3' U A 13 3.805 -10.933 -1.575 1.00 0.00 C ATOM 399 O3' U A 13 4.735 -11.998 -1.361 1.00 0.00 O ATOM 400 C2' U A 13 4.200 -9.793 -0.648 1.00 0.00 C ATOM 401 O2' U A 13 5.613 -9.785 -0.427 1.00 0.00 O ATOM 402 C1' U A 13 3.778 -8.565 -1.454 1.00 0.00 C ATOM 403 N1 U A 13 2.412 -8.103 -1.113 1.00 0.00 N ATOM 404 C2 U A 13 2.188 -7.660 0.182 1.00 0.00 C ATOM 405 O2 U A 13 3.066 -7.652 1.042 1.00 0.00 O ATOM 406 N3 U A 13 0.906 -7.228 0.461 1.00 0.00 N ATOM 407 C4 U A 13 -0.154 -7.201 -0.424 1.00 0.00 C ATOM 408 O4 U A 13 -1.251 -6.794 -0.053 1.00 0.00 O ATOM 409 C5 U A 13 0.154 -7.679 -1.752 1.00 0.00 C ATOM 410 C6 U A 13 1.405 -8.107 -2.047 1.00 0.00 C ATOM 0 H5' U A 13 3.713 -11.847 -4.478 1.00 0.00 H new ATOM 0 H5'' U A 13 2.268 -11.284 -3.662 1.00 0.00 H new ATOM 0 H4' U A 13 5.108 -10.606 -3.249 1.00 0.00 H new ATOM 0 H3' U A 13 2.783 -11.284 -1.433 1.00 0.00 H new ATOM 0 H2' U A 13 3.745 -9.853 0.341 1.00 0.00 H new ATOM 0 HO2' U A 13 5.970 -10.688 -0.559 1.00 0.00 H new ATOM 0 H1' U A 13 4.452 -7.736 -1.237 1.00 0.00 H new ATOM 0 H3 U A 13 0.725 -6.898 1.409 1.00 0.00 H new ATOM 0 H5 U A 13 -0.614 -7.695 -2.511 1.00 0.00 H new ATOM 0 H6 U A 13 1.617 -8.461 -3.045 1.00 0.00 H new ATOM 421 P C A 14 4.408 -13.175 -0.312 1.00 0.00 P ATOM 422 OP1 C A 14 5.630 -13.991 -0.135 1.00 0.00 O ATOM 423 OP2 C A 14 3.143 -13.824 -0.725 1.00 0.00 O ATOM 424 O5' C A 14 4.134 -12.365 1.054 1.00 0.00 O ATOM 425 C5' C A 14 5.218 -11.961 1.897 1.00 0.00 C ATOM 426 C4' C A 14 4.743 -11.656 3.315 1.00 0.00 C ATOM 427 O4' C A 14 4.083 -10.388 3.326 1.00 0.00 O ATOM 428 C3' C A 14 3.704 -12.626 3.859 1.00 0.00 C ATOM 429 O3' C A 14 4.339 -13.753 4.469 1.00 0.00 O ATOM 430 C2' C A 14 3.000 -11.774 4.908 1.00 0.00 C ATOM 431 O2' C A 14 3.745 -11.763 6.130 1.00 0.00 O ATOM 432 C1' C A 14 3.003 -10.386 4.268 1.00 0.00 C ATOM 433 N1 C A 14 1.740 -10.100 3.551 1.00 0.00 N ATOM 434 C2 C A 14 0.754 -9.399 4.235 1.00 0.00 C ATOM 435 O2 C A 14 0.943 -9.030 5.394 1.00 0.00 O ATOM 436 N3 C A 14 -0.417 -9.131 3.595 1.00 0.00 N ATOM 437 C4 C A 14 -0.617 -9.536 2.335 1.00 0.00 C ATOM 438 N4 C A 14 -1.784 -9.241 1.763 1.00 0.00 N ATOM 439 C5 C A 14 0.394 -10.257 1.625 1.00 0.00 C ATOM 440 C6 C A 14 1.547 -10.514 2.265 1.00 0.00 C ATOM 0 H5' C A 14 5.698 -11.078 1.475 1.00 0.00 H new ATOM 0 H5'' C A 14 5.970 -12.749 1.926 1.00 0.00 H new ATOM 0 H4' C A 14 5.645 -11.710 3.925 1.00 0.00 H new ATOM 0 H3' C A 14 3.038 -13.035 3.100 1.00 0.00 H new ATOM 0 H2' C A 14 2.004 -12.135 5.164 1.00 0.00 H new ATOM 0 HO2' C A 14 4.344 -12.539 6.155 1.00 0.00 H new ATOM 0 HO3' C A 14 3.657 -14.365 4.815 1.00 0.00 H new ATOM 0 H1' C A 14 3.111 -9.623 5.038 1.00 0.00 H new ATOM 0 H41 C A 14 -1.970 -9.534 0.804 1.00 0.00 H new ATOM 0 H42 C A 14 -2.491 -8.722 2.284 1.00 0.00 H new ATOM 0 H5 C A 14 0.236 -10.584 0.608 1.00 0.00 H new ATOM 0 H6 C A 14 2.331 -11.055 1.755 1.00 0.00 H new TER 453 C A 14