USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.13 USER MOD Single : A 8 C O5' : rot 180:sc= -0.589 USER MOD Single : A 9 C O2' : rot -21:sc= 0.122 USER MOD Single : A 10 G O2' : rot -7:sc= -0.21 USER MOD Single : A 11 U O2' : rot -132:sc= -2.76! USER MOD Single : A 12 U O2' : rot 139:sc= 0.631 USER MOD Single : A 13 G O2' : rot -23:sc= 0.162 USER MOD Single : A 14 A O2' : rot -20:sc= 0.122 USER MOD Single : A 15 A O2' : rot -91:sc= -7.69! USER MOD Single : A 16 U O2' : rot 19:sc= 0.232 USER MOD Single : A 17 C O2' : rot 11:sc= 0.175 USER MOD Single : A 18 U O2' : rot 142:sc= 1.28 USER MOD Single : A 19 C O2' : rot -19:sc= 0.114 USER MOD Single : A 20 A O2' : rot -172:sc= 0.814 USER MOD Single : A 21 C O2' : rot -17:sc= 0.0768 USER MOD Single : A 22 G O2' : rot 180:sc= -0.393 USER MOD Single : A 23 G O2' : rot -28:sc= 0.103 USER MOD Single : A 23 G O3' : rot 180:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 2.058 -4.579 -12.274 1.00 0.00 O ATOM 2 C5' C A 8 2.163 -5.675 -13.180 1.00 0.00 C ATOM 3 C4' C A 8 3.032 -6.763 -12.591 1.00 0.00 C ATOM 4 O4' C A 8 4.405 -6.289 -12.542 1.00 0.00 O ATOM 5 C3' C A 8 2.715 -7.164 -11.155 1.00 0.00 C ATOM 6 O3' C A 8 1.694 -8.155 -11.103 1.00 0.00 O ATOM 7 C2' C A 8 4.053 -7.687 -10.647 1.00 0.00 C ATOM 8 O2' C A 8 4.290 -9.014 -11.080 1.00 0.00 O ATOM 9 C1' C A 8 5.033 -6.760 -11.362 1.00 0.00 C ATOM 10 N1 C A 8 5.454 -5.598 -10.554 1.00 0.00 N ATOM 11 C2 C A 8 6.563 -5.730 -9.701 1.00 0.00 C ATOM 12 O2 C A 8 7.164 -6.816 -9.650 1.00 0.00 O ATOM 13 N3 C A 8 6.950 -4.672 -8.954 1.00 0.00 N ATOM 14 C4 C A 8 6.282 -3.518 -9.033 1.00 0.00 C ATOM 15 N4 C A 8 6.701 -2.503 -8.275 1.00 0.00 N ATOM 16 C5 C A 8 5.155 -3.354 -9.893 1.00 0.00 C ATOM 17 C6 C A 8 4.781 -4.410 -10.629 1.00 0.00 C ATOM 0 H5' C A 8 2.586 -5.335 -14.125 1.00 0.00 H new ATOM 0 H5'' C A 8 1.171 -6.071 -13.399 1.00 0.00 H new ATOM 0 H4' C A 8 2.854 -7.624 -13.236 1.00 0.00 H new ATOM 0 H3' C A 8 2.325 -6.345 -10.551 1.00 0.00 H new ATOM 0 H2' C A 8 4.121 -7.700 -9.559 1.00 0.00 H new ATOM 0 HO2' C A 8 5.156 -9.320 -10.739 1.00 0.00 H new ATOM 0 HO5' C A 8 1.494 -3.881 -12.669 1.00 0.00 H new ATOM 0 H1' C A 8 5.934 -7.337 -11.568 1.00 0.00 H new ATOM 0 H41 C A 8 6.215 -1.607 -8.309 1.00 0.00 H new ATOM 0 H42 C A 8 7.507 -2.623 -7.662 1.00 0.00 H new ATOM 0 H5 C A 8 4.624 -2.415 -9.949 1.00 0.00 H new ATOM 0 H6 C A 8 3.934 -4.321 -11.293 1.00 0.00 H new ATOM 29 P C A 9 0.910 -8.420 -9.725 1.00 0.00 P ATOM 30 OP1 C A 9 -0.152 -9.422 -10.007 1.00 0.00 O ATOM 31 OP2 C A 9 0.541 -7.110 -9.132 1.00 0.00 O ATOM 32 O5' C A 9 2.003 -9.100 -8.786 1.00 0.00 O ATOM 33 C5' C A 9 2.480 -10.419 -9.050 1.00 0.00 C ATOM 34 C4' C A 9 3.432 -10.860 -7.960 1.00 0.00 C ATOM 35 O4' C A 9 4.598 -9.994 -7.976 1.00 0.00 O ATOM 36 C3' C A 9 2.894 -10.758 -6.539 1.00 0.00 C ATOM 37 O3' C A 9 2.171 -11.929 -6.174 1.00 0.00 O ATOM 38 C2' C A 9 4.160 -10.578 -5.708 1.00 0.00 C ATOM 39 O2' C A 9 4.803 -11.817 -5.474 1.00 0.00 O ATOM 40 C1' C A 9 5.034 -9.748 -6.651 1.00 0.00 C ATOM 41 N1 C A 9 4.979 -8.294 -6.401 1.00 0.00 N ATOM 42 C2 C A 9 5.821 -7.736 -5.422 1.00 0.00 C ATOM 43 O2 C A 9 6.589 -8.478 -4.786 1.00 0.00 O ATOM 44 N3 C A 9 5.774 -6.404 -5.195 1.00 0.00 N ATOM 45 C4 C A 9 4.938 -5.635 -5.896 1.00 0.00 C ATOM 46 N4 C A 9 4.927 -4.325 -5.637 1.00 0.00 N ATOM 47 C5 C A 9 4.073 -6.172 -6.894 1.00 0.00 C ATOM 48 C6 C A 9 4.126 -7.493 -7.111 1.00 0.00 C ATOM 0 H5' C A 9 2.985 -10.444 -10.016 1.00 0.00 H new ATOM 0 H5'' C A 9 1.640 -11.111 -9.111 1.00 0.00 H new ATOM 0 H4' C A 9 3.630 -11.909 -8.182 1.00 0.00 H new ATOM 0 H3' C A 9 2.182 -9.945 -6.400 1.00 0.00 H new ATOM 0 H2' C A 9 3.968 -10.135 -4.731 1.00 0.00 H new ATOM 0 HO2' C A 9 4.160 -12.547 -5.592 1.00 0.00 H new ATOM 0 H1' C A 9 6.067 -10.051 -6.482 1.00 0.00 H new ATOM 0 H41 C A 9 4.300 -3.708 -6.154 1.00 0.00 H new ATOM 0 H42 C A 9 5.545 -3.941 -4.922 1.00 0.00 H new ATOM 0 H5 C A 9 3.401 -5.538 -7.454 1.00 0.00 H new ATOM 0 H6 C A 9 3.484 -7.934 -7.860 1.00 0.00 H new ATOM 60 P G A 10 1.189 -11.897 -4.902 1.00 0.00 P ATOM 61 OP1 G A 10 0.632 -13.260 -4.711 1.00 0.00 O ATOM 62 OP2 G A 10 0.265 -10.745 -5.074 1.00 0.00 O ATOM 63 O5' G A 10 2.156 -11.578 -3.677 1.00 0.00 O ATOM 64 C5' G A 10 1.632 -11.356 -2.370 1.00 0.00 C ATOM 65 C4' G A 10 2.692 -10.752 -1.479 1.00 0.00 C ATOM 66 O4' G A 10 3.421 -9.748 -2.218 1.00 0.00 O ATOM 67 C3' G A 10 2.166 -9.999 -0.268 1.00 0.00 C ATOM 68 O3' G A 10 1.908 -10.889 0.811 1.00 0.00 O ATOM 69 C2' G A 10 3.288 -9.009 0.052 1.00 0.00 C ATOM 70 O2' G A 10 4.248 -9.590 0.915 1.00 0.00 O ATOM 71 C1' G A 10 3.947 -8.795 -1.317 1.00 0.00 C ATOM 72 N9 G A 10 3.727 -7.462 -1.876 1.00 0.00 N ATOM 73 C8 G A 10 3.063 -7.153 -3.039 1.00 0.00 C ATOM 74 N7 G A 10 3.028 -5.873 -3.290 1.00 0.00 N ATOM 75 C5 G A 10 3.712 -5.297 -2.228 1.00 0.00 C ATOM 76 C6 G A 10 4.000 -3.935 -1.950 1.00 0.00 C ATOM 77 O6 G A 10 3.697 -2.933 -2.610 1.00 0.00 O ATOM 78 N1 G A 10 4.716 -3.793 -0.766 1.00 0.00 N ATOM 79 C2 G A 10 5.107 -4.828 0.048 1.00 0.00 C ATOM 80 N2 G A 10 5.790 -4.486 1.150 1.00 0.00 N ATOM 81 N3 G A 10 4.846 -6.101 -0.197 1.00 0.00 N ATOM 82 C4 G A 10 4.150 -6.263 -1.345 1.00 0.00 C ATOM 0 H5' G A 10 1.283 -12.297 -1.946 1.00 0.00 H new ATOM 0 H5'' G A 10 0.770 -10.691 -2.424 1.00 0.00 H new ATOM 0 H4' G A 10 3.280 -11.608 -1.149 1.00 0.00 H new ATOM 0 H3' G A 10 1.216 -9.497 -0.449 1.00 0.00 H new ATOM 0 H2' G A 10 2.919 -8.105 0.536 1.00 0.00 H new ATOM 0 HO2' G A 10 3.933 -10.470 1.210 1.00 0.00 H new ATOM 0 H1' G A 10 5.022 -8.905 -1.173 1.00 0.00 H new ATOM 0 H8 G A 10 2.615 -7.896 -3.682 1.00 0.00 H new ATOM 0 H1 G A 10 4.970 -2.847 -0.480 1.00 0.00 H new ATOM 0 H21 G A 10 6.109 -5.207 1.796 1.00 0.00 H new ATOM 0 H22 G A 10 5.990 -3.504 1.342 1.00 0.00 H new ATOM 94 P U A 11 0.792 -10.513 1.906 1.00 0.00 P ATOM 95 OP1 U A 11 0.684 -11.646 2.862 1.00 0.00 O ATOM 96 OP2 U A 11 -0.418 -10.053 1.178 1.00 0.00 O ATOM 97 O5' U A 11 1.412 -9.259 2.670 1.00 0.00 O ATOM 98 C5' U A 11 2.462 -9.421 3.622 1.00 0.00 C ATOM 99 C4' U A 11 2.649 -8.144 4.411 1.00 0.00 C ATOM 100 O4' U A 11 2.928 -7.062 3.475 1.00 0.00 O ATOM 101 C3' U A 11 1.434 -7.692 5.219 1.00 0.00 C ATOM 102 O3' U A 11 1.821 -7.116 6.465 1.00 0.00 O ATOM 103 C2' U A 11 0.765 -6.679 4.297 1.00 0.00 C ATOM 104 O2' U A 11 0.066 -5.690 5.021 1.00 0.00 O ATOM 105 C1' U A 11 1.983 -6.028 3.653 1.00 0.00 C ATOM 106 N1 U A 11 1.720 -5.396 2.351 1.00 0.00 N ATOM 107 C2 U A 11 1.911 -4.025 2.241 1.00 0.00 C ATOM 108 O2 U A 11 2.288 -3.326 3.169 1.00 0.00 O ATOM 109 N3 U A 11 1.643 -3.501 1.000 1.00 0.00 N ATOM 110 C4 U A 11 1.216 -4.188 -0.117 1.00 0.00 C ATOM 111 O4 U A 11 1.023 -3.574 -1.168 1.00 0.00 O ATOM 112 C5 U A 11 1.046 -5.593 0.078 1.00 0.00 C ATOM 113 C6 U A 11 1.295 -6.140 1.272 1.00 0.00 C ATOM 0 H5' U A 11 3.389 -9.682 3.112 1.00 0.00 H new ATOM 0 H5'' U A 11 2.228 -10.244 4.297 1.00 0.00 H new ATOM 0 H4' U A 11 3.454 -8.359 5.114 1.00 0.00 H new ATOM 0 H3' U A 11 0.769 -8.510 5.495 1.00 0.00 H new ATOM 0 H2' U A 11 0.041 -7.131 3.619 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.829 -5.576 4.638 1.00 0.00 H new ATOM 0 H1' U A 11 2.324 -5.222 4.303 1.00 0.00 H new ATOM 0 H3 U A 11 1.774 -2.495 0.893 1.00 0.00 H new ATOM 0 H5 U A 11 0.716 -6.215 -0.741 1.00 0.00 H new ATOM 0 H6 U A 11 1.158 -7.204 1.395 1.00 0.00 H new ATOM 124 P U A 12 0.749 -6.988 7.662 1.00 0.00 P ATOM 125 OP1 U A 12 1.480 -7.161 8.943 1.00 0.00 O ATOM 126 OP2 U A 12 -0.411 -7.866 7.359 1.00 0.00 O ATOM 127 O5' U A 12 0.249 -5.476 7.583 1.00 0.00 O ATOM 128 C5' U A 12 1.181 -4.397 7.513 1.00 0.00 C ATOM 129 C4' U A 12 0.458 -3.068 7.579 1.00 0.00 C ATOM 130 O4' U A 12 -0.376 -2.917 6.393 1.00 0.00 O ATOM 131 C3' U A 12 -0.478 -2.880 8.775 1.00 0.00 C ATOM 132 O3' U A 12 -0.444 -1.558 9.333 1.00 0.00 O ATOM 133 C2' U A 12 -1.854 -3.193 8.194 1.00 0.00 C ATOM 134 O2' U A 12 -2.875 -2.470 8.855 1.00 0.00 O ATOM 135 C1' U A 12 -1.707 -2.640 6.780 1.00 0.00 C ATOM 136 N1 U A 12 -2.631 -3.217 5.787 1.00 0.00 N ATOM 137 C2 U A 12 -3.916 -2.688 5.712 1.00 0.00 C ATOM 138 O2 U A 12 -4.306 -1.776 6.426 1.00 0.00 O ATOM 139 N3 U A 12 -4.727 -3.268 4.768 1.00 0.00 N ATOM 140 C4 U A 12 -4.402 -4.297 3.911 1.00 0.00 C ATOM 141 O4 U A 12 -5.245 -4.711 3.114 1.00 0.00 O ATOM 142 C5 U A 12 -3.066 -4.785 4.049 1.00 0.00 C ATOM 143 C6 U A 12 -2.244 -4.247 4.955 1.00 0.00 C ATOM 0 H5' U A 12 1.752 -4.461 6.587 1.00 0.00 H new ATOM 0 H5'' U A 12 1.895 -4.471 8.334 1.00 0.00 H new ATOM 0 H4' U A 12 1.257 -2.331 7.665 1.00 0.00 H new ATOM 0 H3' U A 12 -0.191 -3.520 9.609 1.00 0.00 H new ATOM 0 H2' U A 12 -2.124 -4.246 8.271 1.00 0.00 H new ATOM 0 HO2' U A 12 -3.526 -2.148 8.197 1.00 0.00 H new ATOM 0 H1' U A 12 -1.951 -1.578 6.803 1.00 0.00 H new ATOM 0 H3 U A 12 -5.674 -2.896 4.693 1.00 0.00 H new ATOM 0 H5 U A 12 -2.720 -5.591 3.419 1.00 0.00 H new ATOM 0 H6 U A 12 -1.239 -4.633 5.039 1.00 0.00 H new ATOM 154 P G A 13 0.458 -0.407 8.656 1.00 0.00 P ATOM 155 OP1 G A 13 -0.020 -0.180 7.266 1.00 0.00 O ATOM 156 OP2 G A 13 1.880 -0.764 8.892 1.00 0.00 O ATOM 157 O5' G A 13 0.134 0.893 9.520 1.00 0.00 O ATOM 158 C5' G A 13 -1.050 1.654 9.290 1.00 0.00 C ATOM 159 C4' G A 13 -0.728 2.876 8.465 1.00 0.00 C ATOM 160 O4' G A 13 -0.294 2.468 7.148 1.00 0.00 O ATOM 161 C3' G A 13 -1.900 3.800 8.172 1.00 0.00 C ATOM 162 O3' G A 13 -2.149 4.688 9.254 1.00 0.00 O ATOM 163 C2' G A 13 -1.453 4.543 6.912 1.00 0.00 C ATOM 164 O2' G A 13 -0.684 5.684 7.237 1.00 0.00 O ATOM 165 C1' G A 13 -0.530 3.522 6.237 1.00 0.00 C ATOM 166 N9 G A 13 -1.090 2.963 5.009 1.00 0.00 N ATOM 167 C8 G A 13 -1.725 1.754 4.861 1.00 0.00 C ATOM 168 N7 G A 13 -2.125 1.528 3.640 1.00 0.00 N ATOM 169 C5 G A 13 -1.730 2.657 2.935 1.00 0.00 C ATOM 170 C6 G A 13 -1.890 2.988 1.564 1.00 0.00 C ATOM 171 O6 G A 13 -2.432 2.328 0.670 1.00 0.00 O ATOM 172 N1 G A 13 -1.339 4.231 1.269 1.00 0.00 N ATOM 173 C2 G A 13 -0.715 5.053 2.176 1.00 0.00 C ATOM 174 N2 G A 13 -0.246 6.216 1.698 1.00 0.00 N ATOM 175 N3 G A 13 -0.560 4.758 3.457 1.00 0.00 N ATOM 176 C4 G A 13 -1.088 3.553 3.765 1.00 0.00 C ATOM 0 H5' G A 13 -1.490 1.953 10.241 1.00 0.00 H new ATOM 0 H5'' G A 13 -1.791 1.042 8.775 1.00 0.00 H new ATOM 0 H4' G A 13 0.013 3.401 9.069 1.00 0.00 H new ATOM 0 H3' G A 13 -2.841 3.267 8.034 1.00 0.00 H new ATOM 0 H2' G A 13 -2.294 4.883 6.308 1.00 0.00 H new ATOM 0 HO2' G A 13 -0.900 5.976 8.147 1.00 0.00 H new ATOM 0 H1' G A 13 0.388 4.041 5.963 1.00 0.00 H new ATOM 0 H8 G A 13 -1.878 1.060 5.674 1.00 0.00 H new ATOM 0 H1 G A 13 -1.403 4.557 0.305 1.00 0.00 H new ATOM 0 H21 G A 13 0.227 6.870 2.322 1.00 0.00 H new ATOM 0 H22 G A 13 -0.363 6.446 0.711 1.00 0.00 H new ATOM 188 P A A 14 -3.590 5.387 9.394 1.00 0.00 P ATOM 189 OP1 A A 14 -3.499 6.428 10.449 1.00 0.00 O ATOM 190 OP2 A A 14 -4.590 4.295 9.527 1.00 0.00 O ATOM 191 O5' A A 14 -3.802 6.117 7.992 1.00 0.00 O ATOM 192 C5' A A 14 -5.060 6.084 7.324 1.00 0.00 C ATOM 193 C4' A A 14 -4.871 6.306 5.842 1.00 0.00 C ATOM 194 O4' A A 14 -3.951 5.305 5.329 1.00 0.00 O ATOM 195 C3' A A 14 -6.131 6.149 5.003 1.00 0.00 C ATOM 196 O3' A A 14 -6.851 7.376 4.931 1.00 0.00 O ATOM 197 C2' A A 14 -5.590 5.707 3.646 1.00 0.00 C ATOM 198 O2' A A 14 -5.131 6.812 2.891 1.00 0.00 O ATOM 199 C1' A A 14 -4.383 4.863 4.054 1.00 0.00 C ATOM 200 N9 A A 14 -4.663 3.426 4.135 1.00 0.00 N ATOM 201 C8 A A 14 -4.697 2.643 5.263 1.00 0.00 C ATOM 202 N7 A A 14 -4.981 1.386 5.027 1.00 0.00 N ATOM 203 C5 A A 14 -5.140 1.333 3.649 1.00 0.00 C ATOM 204 C6 A A 14 -5.448 0.277 2.774 1.00 0.00 C ATOM 205 N6 A A 14 -5.662 -0.978 3.174 1.00 0.00 N ATOM 206 N1 A A 14 -5.532 0.559 1.456 1.00 0.00 N ATOM 207 C2 A A 14 -5.319 1.818 1.053 1.00 0.00 C ATOM 208 N3 A A 14 -5.023 2.895 1.779 1.00 0.00 N ATOM 209 C4 A A 14 -4.947 2.582 3.086 1.00 0.00 C ATOM 0 H5' A A 14 -5.717 6.852 7.733 1.00 0.00 H new ATOM 0 H5'' A A 14 -5.546 5.124 7.496 1.00 0.00 H new ATOM 0 H4' A A 14 -4.521 7.335 5.758 1.00 0.00 H new ATOM 0 H3' A A 14 -6.846 5.436 5.413 1.00 0.00 H new ATOM 0 H2' A A 14 -6.336 5.198 3.035 1.00 0.00 H new ATOM 0 HO2' A A 14 -5.540 7.634 3.233 1.00 0.00 H new ATOM 0 H1' A A 14 -3.625 4.993 3.282 1.00 0.00 H new ATOM 0 H8 A A 14 -4.507 3.028 6.254 1.00 0.00 H new ATOM 0 H61 A A 14 -5.882 -1.701 2.489 1.00 0.00 H new ATOM 0 H62 A A 14 -5.606 -1.214 4.165 1.00 0.00 H new ATOM 0 H2 A A 14 -5.398 1.984 -0.011 1.00 0.00 H new ATOM 221 P A A 15 -8.351 7.391 4.349 1.00 0.00 P ATOM 222 OP1 A A 15 -8.891 8.764 4.503 1.00 0.00 O ATOM 223 OP2 A A 15 -9.084 6.244 4.945 1.00 0.00 O ATOM 224 O5' A A 15 -8.159 7.105 2.794 1.00 0.00 O ATOM 225 C5' A A 15 -9.264 6.740 1.974 1.00 0.00 C ATOM 226 C4' A A 15 -8.809 5.812 0.872 1.00 0.00 C ATOM 227 O4' A A 15 -8.236 4.621 1.484 1.00 0.00 O ATOM 228 C3' A A 15 -9.918 5.323 -0.061 1.00 0.00 C ATOM 229 O3' A A 15 -9.579 5.300 -1.461 1.00 0.00 O ATOM 230 C2' A A 15 -10.246 3.931 0.469 1.00 0.00 C ATOM 231 O2' A A 15 -10.608 3.050 -0.567 1.00 0.00 O ATOM 232 C1' A A 15 -8.897 3.470 0.999 1.00 0.00 C ATOM 233 N9 A A 15 -9.003 2.491 2.079 1.00 0.00 N ATOM 234 C8 A A 15 -8.704 2.679 3.401 1.00 0.00 C ATOM 235 N7 A A 15 -8.900 1.619 4.147 1.00 0.00 N ATOM 236 C5 A A 15 -9.364 0.665 3.253 1.00 0.00 C ATOM 237 C6 A A 15 -9.757 -0.674 3.419 1.00 0.00 C ATOM 238 N6 A A 15 -9.742 -1.311 4.592 1.00 0.00 N ATOM 239 N1 A A 15 -10.171 -1.347 2.324 1.00 0.00 N ATOM 240 C2 A A 15 -10.186 -0.709 1.147 1.00 0.00 C ATOM 241 N3 A A 15 -9.839 0.546 0.865 1.00 0.00 N ATOM 242 C4 A A 15 -9.433 1.187 1.975 1.00 0.00 C ATOM 0 H5' A A 15 -9.718 7.633 1.544 1.00 0.00 H new ATOM 0 H5'' A A 15 -10.029 6.252 2.578 1.00 0.00 H new ATOM 0 H4' A A 15 -8.107 6.392 0.273 1.00 0.00 H new ATOM 0 H3' A A 15 -10.762 6.013 -0.045 1.00 0.00 H new ATOM 0 H2' A A 15 -11.068 3.947 1.184 1.00 0.00 H new ATOM 0 HO2' A A 15 -11.579 3.077 -0.695 1.00 0.00 H new ATOM 0 H1' A A 15 -8.356 2.977 0.191 1.00 0.00 H new ATOM 0 H8 A A 15 -8.339 3.616 3.794 1.00 0.00 H new ATOM 0 H61 A A 15 -10.040 -2.285 4.647 1.00 0.00 H new ATOM 0 H62 A A 15 -9.433 -0.824 5.433 1.00 0.00 H new ATOM 0 H2 A A 15 -10.528 -1.295 0.307 1.00 0.00 H new ATOM 254 P U A 16 -8.058 5.059 -1.961 1.00 0.00 P ATOM 255 OP1 U A 16 -7.188 4.541 -0.875 1.00 0.00 O ATOM 256 OP2 U A 16 -7.649 6.282 -2.698 1.00 0.00 O ATOM 257 O5' U A 16 -8.201 3.886 -3.030 1.00 0.00 O ATOM 258 C5' U A 16 -8.582 2.571 -2.626 1.00 0.00 C ATOM 259 C4' U A 16 -9.368 1.880 -3.722 1.00 0.00 C ATOM 260 O4' U A 16 -10.517 1.225 -3.114 1.00 0.00 O ATOM 261 C3' U A 16 -9.931 2.778 -4.826 1.00 0.00 C ATOM 262 O3' U A 16 -9.793 2.162 -6.101 1.00 0.00 O ATOM 263 C2' U A 16 -11.391 2.975 -4.426 1.00 0.00 C ATOM 264 O2' U A 16 -12.222 3.115 -5.561 1.00 0.00 O ATOM 265 C1' U A 16 -11.703 1.640 -3.758 1.00 0.00 C ATOM 266 N1 U A 16 -12.782 1.710 -2.759 1.00 0.00 N ATOM 267 C2 U A 16 -14.032 1.212 -3.102 1.00 0.00 C ATOM 268 O2 U A 16 -14.278 0.713 -4.190 1.00 0.00 O ATOM 269 N3 U A 16 -14.987 1.323 -2.120 1.00 0.00 N ATOM 270 C4 U A 16 -14.826 1.866 -0.862 1.00 0.00 C ATOM 271 O4 U A 16 -15.783 1.894 -0.086 1.00 0.00 O ATOM 272 C5 U A 16 -13.510 2.353 -0.589 1.00 0.00 C ATOM 273 C6 U A 16 -12.558 2.260 -1.517 1.00 0.00 C ATOM 0 H5' U A 16 -9.184 2.624 -1.719 1.00 0.00 H new ATOM 0 H5'' U A 16 -7.693 1.987 -2.386 1.00 0.00 H new ATOM 0 H4' U A 16 -8.648 1.212 -4.195 1.00 0.00 H new ATOM 0 H3' U A 16 -9.406 3.729 -4.919 1.00 0.00 H new ATOM 0 H2' U A 16 -11.552 3.861 -3.812 1.00 0.00 H new ATOM 0 HO2' U A 16 -11.758 2.768 -6.351 1.00 0.00 H new ATOM 0 H1' U A 16 -12.046 0.947 -4.526 1.00 0.00 H new ATOM 0 H3 U A 16 -15.915 0.965 -2.346 1.00 0.00 H new ATOM 0 H5 U A 16 -13.287 2.797 0.370 1.00 0.00 H new ATOM 0 H6 U A 16 -11.571 2.631 -1.285 1.00 0.00 H new ATOM 284 P C A 17 -8.433 2.358 -6.936 1.00 0.00 P ATOM 285 OP1 C A 17 -8.302 3.796 -7.280 1.00 0.00 O ATOM 286 OP2 C A 17 -8.428 1.341 -8.019 1.00 0.00 O ATOM 287 O5' C A 17 -7.281 1.983 -5.900 1.00 0.00 O ATOM 288 C5' C A 17 -5.921 2.319 -6.164 1.00 0.00 C ATOM 289 C4' C A 17 -5.068 1.069 -6.198 1.00 0.00 C ATOM 290 O4' C A 17 -4.966 0.536 -4.846 1.00 0.00 O ATOM 291 C3' C A 17 -5.606 -0.079 -7.055 1.00 0.00 C ATOM 292 O3' C A 17 -4.560 -0.786 -7.722 1.00 0.00 O ATOM 293 C2' C A 17 -6.323 -0.961 -6.038 1.00 0.00 C ATOM 294 O2' C A 17 -6.324 -2.319 -6.435 1.00 0.00 O ATOM 295 C1' C A 17 -5.406 -0.807 -4.831 1.00 0.00 C ATOM 296 N1 C A 17 -6.042 -1.081 -3.529 1.00 0.00 N ATOM 297 C2 C A 17 -5.779 -2.302 -2.887 1.00 0.00 C ATOM 298 O2 C A 17 -5.025 -3.125 -3.433 1.00 0.00 O ATOM 299 N3 C A 17 -6.355 -2.553 -1.689 1.00 0.00 N ATOM 300 C4 C A 17 -7.160 -1.647 -1.131 1.00 0.00 C ATOM 301 N4 C A 17 -7.700 -1.941 0.054 1.00 0.00 N ATOM 302 C5 C A 17 -7.448 -0.401 -1.760 1.00 0.00 C ATOM 303 C6 C A 17 -6.874 -0.163 -2.948 1.00 0.00 C ATOM 0 H5' C A 17 -5.552 2.999 -5.396 1.00 0.00 H new ATOM 0 H5'' C A 17 -5.847 2.844 -7.116 1.00 0.00 H new ATOM 0 H4' C A 17 -4.123 1.393 -6.634 1.00 0.00 H new ATOM 0 H3' C A 17 -6.256 0.263 -7.860 1.00 0.00 H new ATOM 0 H2' C A 17 -7.367 -0.688 -5.887 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.712 -2.439 -7.191 1.00 0.00 H new ATOM 0 H1' C A 17 -4.606 -1.542 -4.920 1.00 0.00 H new ATOM 0 H41 C A 17 -8.320 -1.273 0.512 1.00 0.00 H new ATOM 0 H42 C A 17 -7.492 -2.834 0.502 1.00 0.00 H new ATOM 0 H5 C A 17 -8.103 0.323 -1.298 1.00 0.00 H new ATOM 0 H6 C A 17 -7.072 0.770 -3.455 1.00 0.00 H new ATOM 315 P U A 18 -3.611 -0.021 -8.777 1.00 0.00 P ATOM 316 OP1 U A 18 -4.433 1.006 -9.473 1.00 0.00 O ATOM 317 OP2 U A 18 -2.903 -1.054 -9.575 1.00 0.00 O ATOM 318 O5' U A 18 -2.532 0.706 -7.853 1.00 0.00 O ATOM 319 C5' U A 18 -2.368 2.124 -7.880 1.00 0.00 C ATOM 320 C4' U A 18 -1.215 2.531 -6.990 1.00 0.00 C ATOM 321 O4' U A 18 -1.409 1.947 -5.670 1.00 0.00 O ATOM 322 C3' U A 18 0.162 2.056 -7.455 1.00 0.00 C ATOM 323 O3' U A 18 1.144 3.076 -7.285 1.00 0.00 O ATOM 324 C2' U A 18 0.437 0.848 -6.561 1.00 0.00 C ATOM 325 O2' U A 18 1.825 0.680 -6.342 1.00 0.00 O ATOM 326 C1' U A 18 -0.220 1.305 -5.262 1.00 0.00 C ATOM 327 N1 U A 18 -0.563 0.246 -4.295 1.00 0.00 N ATOM 328 C2 U A 18 0.476 -0.455 -3.683 1.00 0.00 C ATOM 329 O2 U A 18 1.655 -0.243 -3.916 1.00 0.00 O ATOM 330 N3 U A 18 0.078 -1.414 -2.784 1.00 0.00 N ATOM 331 C4 U A 18 -1.214 -1.740 -2.433 1.00 0.00 C ATOM 332 O4 U A 18 -1.410 -2.629 -1.603 1.00 0.00 O ATOM 333 C5 U A 18 -2.222 -0.978 -3.099 1.00 0.00 C ATOM 334 C6 U A 18 -1.878 -0.040 -3.990 1.00 0.00 C ATOM 0 H5' U A 18 -3.285 2.610 -7.546 1.00 0.00 H new ATOM 0 H5'' U A 18 -2.184 2.457 -8.901 1.00 0.00 H new ATOM 0 H4' U A 18 -1.221 3.621 -7.005 1.00 0.00 H new ATOM 0 H3' U A 18 0.196 1.809 -8.516 1.00 0.00 H new ATOM 0 H2' U A 18 0.077 -0.096 -6.970 1.00 0.00 H new ATOM 0 HO2' U A 18 1.978 0.395 -5.417 1.00 0.00 H new ATOM 0 H1' U A 18 0.494 1.929 -4.725 1.00 0.00 H new ATOM 0 H3 U A 18 0.820 -1.943 -2.326 1.00 0.00 H new ATOM 0 H5 U A 18 -3.265 -1.159 -2.883 1.00 0.00 H new ATOM 0 H6 U A 18 -2.659 0.514 -4.489 1.00 0.00 H new ATOM 345 P C A 19 1.235 4.294 -8.336 1.00 0.00 P ATOM 346 OP1 C A 19 -0.116 4.535 -8.908 1.00 0.00 O ATOM 347 OP2 C A 19 2.379 4.030 -9.245 1.00 0.00 O ATOM 348 O5' C A 19 1.605 5.552 -7.428 1.00 0.00 O ATOM 349 C5' C A 19 2.724 5.513 -6.546 1.00 0.00 C ATOM 350 C4' C A 19 2.535 6.492 -5.410 1.00 0.00 C ATOM 351 O4' C A 19 1.118 6.678 -5.157 1.00 0.00 O ATOM 352 C3' C A 19 3.096 6.037 -4.072 1.00 0.00 C ATOM 353 O3' C A 19 4.482 6.337 -3.963 1.00 0.00 O ATOM 354 C2' C A 19 2.258 6.818 -3.064 1.00 0.00 C ATOM 355 O2' C A 19 2.748 8.136 -2.900 1.00 0.00 O ATOM 356 C1' C A 19 0.901 6.890 -3.771 1.00 0.00 C ATOM 357 N1 C A 19 -0.089 5.897 -3.295 1.00 0.00 N ATOM 358 C2 C A 19 -0.580 5.987 -1.976 1.00 0.00 C ATOM 359 O2 C A 19 -0.168 6.896 -1.233 1.00 0.00 O ATOM 360 N3 C A 19 -1.487 5.080 -1.548 1.00 0.00 N ATOM 361 C4 C A 19 -1.907 4.116 -2.370 1.00 0.00 C ATOM 362 N4 C A 19 -2.802 3.242 -1.903 1.00 0.00 N ATOM 363 C5 C A 19 -1.431 4.003 -3.710 1.00 0.00 C ATOM 364 C6 C A 19 -0.530 4.903 -4.124 1.00 0.00 C ATOM 0 H5' C A 19 3.635 5.754 -7.094 1.00 0.00 H new ATOM 0 H5'' C A 19 2.847 4.505 -6.149 1.00 0.00 H new ATOM 0 H4' C A 19 3.062 7.387 -5.741 1.00 0.00 H new ATOM 0 H3' C A 19 3.037 4.959 -3.921 1.00 0.00 H new ATOM 0 H2' C A 19 2.249 6.360 -2.075 1.00 0.00 H new ATOM 0 HO2' C A 19 3.676 8.181 -3.211 1.00 0.00 H new ATOM 0 H1' C A 19 0.482 7.872 -3.551 1.00 0.00 H new ATOM 0 H41 C A 19 -3.145 2.493 -2.504 1.00 0.00 H new ATOM 0 H42 C A 19 -3.143 3.324 -0.945 1.00 0.00 H new ATOM 0 H5 C A 19 -1.784 3.221 -4.366 1.00 0.00 H new ATOM 0 H6 C A 19 -0.145 4.843 -5.131 1.00 0.00 H new ATOM 376 P A A 20 5.483 5.258 -3.317 1.00 0.00 P ATOM 377 OP1 A A 20 6.802 5.914 -3.120 1.00 0.00 O ATOM 378 OP2 A A 20 5.393 4.022 -4.136 1.00 0.00 O ATOM 379 O5' A A 20 4.846 4.949 -1.888 1.00 0.00 O ATOM 380 C5' A A 20 5.654 4.494 -0.805 1.00 0.00 C ATOM 381 C4' A A 20 5.124 5.045 0.501 1.00 0.00 C ATOM 382 O4' A A 20 3.682 4.858 0.531 1.00 0.00 O ATOM 383 C3' A A 20 5.661 4.372 1.762 1.00 0.00 C ATOM 384 O3' A A 20 5.848 5.311 2.814 1.00 0.00 O ATOM 385 C2' A A 20 4.607 3.324 2.092 1.00 0.00 C ATOM 386 O2' A A 20 4.490 3.141 3.489 1.00 0.00 O ATOM 387 C1' A A 20 3.330 3.990 1.588 1.00 0.00 C ATOM 388 N9 A A 20 2.337 3.036 1.085 1.00 0.00 N ATOM 389 C8 A A 20 1.385 3.242 0.117 1.00 0.00 C ATOM 390 N7 A A 20 0.629 2.194 -0.114 1.00 0.00 N ATOM 391 C5 A A 20 1.120 1.232 0.759 1.00 0.00 C ATOM 392 C6 A A 20 0.753 -0.105 1.003 1.00 0.00 C ATOM 393 N6 A A 20 -0.244 -0.728 0.371 1.00 0.00 N ATOM 394 N1 A A 20 1.458 -0.788 1.933 1.00 0.00 N ATOM 395 C2 A A 20 2.458 -0.159 2.569 1.00 0.00 C ATOM 396 N3 A A 20 2.879 1.086 2.438 1.00 0.00 N ATOM 397 C4 A A 20 2.166 1.737 1.505 1.00 0.00 C ATOM 0 H5' A A 20 6.686 4.812 -0.952 1.00 0.00 H new ATOM 0 H5'' A A 20 5.657 3.404 -0.775 1.00 0.00 H new ATOM 0 H4' A A 20 5.447 6.086 0.519 1.00 0.00 H new ATOM 0 H3' A A 20 6.646 3.927 1.621 1.00 0.00 H new ATOM 0 H2' A A 20 4.830 2.349 1.660 1.00 0.00 H new ATOM 0 HO2' A A 20 3.901 2.379 3.671 1.00 0.00 H new ATOM 0 H1' A A 20 2.878 4.513 2.431 1.00 0.00 H new ATOM 0 H8 A A 20 1.269 4.180 -0.406 1.00 0.00 H new ATOM 0 H61 A A 20 -0.461 -1.700 0.593 1.00 0.00 H new ATOM 0 H62 A A 20 -0.789 -0.232 -0.334 1.00 0.00 H new ATOM 0 H2 A A 20 2.995 -0.756 3.291 1.00 0.00 H new ATOM 409 P C A 21 7.327 5.842 3.153 1.00 0.00 P ATOM 410 OP1 C A 21 7.219 6.687 4.370 1.00 0.00 O ATOM 411 OP2 C A 21 7.910 6.417 1.912 1.00 0.00 O ATOM 412 O5' C A 21 8.135 4.524 3.544 1.00 0.00 O ATOM 413 C5' C A 21 8.797 3.739 2.552 1.00 0.00 C ATOM 414 C4' C A 21 8.684 2.271 2.892 1.00 0.00 C ATOM 415 O4' C A 21 7.298 1.857 2.796 1.00 0.00 O ATOM 416 C3' C A 21 9.403 1.320 1.948 1.00 0.00 C ATOM 417 O3' C A 21 10.790 1.229 2.255 1.00 0.00 O ATOM 418 C2' C A 21 8.668 0.003 2.177 1.00 0.00 C ATOM 419 O2' C A 21 9.143 -0.659 3.335 1.00 0.00 O ATOM 420 C1' C A 21 7.240 0.486 2.444 1.00 0.00 C ATOM 421 N1 C A 21 6.347 0.329 1.281 1.00 0.00 N ATOM 422 C2 C A 21 5.555 -0.828 1.184 1.00 0.00 C ATOM 423 O2 C A 21 5.619 -1.686 2.081 1.00 0.00 O ATOM 424 N3 C A 21 4.742 -0.982 0.115 1.00 0.00 N ATOM 425 C4 C A 21 4.696 -0.043 -0.832 1.00 0.00 C ATOM 426 N4 C A 21 3.880 -0.242 -1.870 1.00 0.00 N ATOM 427 C5 C A 21 5.484 1.144 -0.758 1.00 0.00 C ATOM 428 C6 C A 21 6.287 1.287 0.305 1.00 0.00 C ATOM 0 H5' C A 21 9.847 4.026 2.490 1.00 0.00 H new ATOM 0 H5'' C A 21 8.357 3.929 1.573 1.00 0.00 H new ATOM 0 H4' C A 21 9.129 2.205 3.885 1.00 0.00 H new ATOM 0 H3' C A 21 9.382 1.639 0.906 1.00 0.00 H new ATOM 0 H2' C A 21 8.782 -0.697 1.349 1.00 0.00 H new ATOM 0 HO2' C A 21 10.008 -0.280 3.597 1.00 0.00 H new ATOM 0 H1' C A 21 6.827 -0.126 3.246 1.00 0.00 H new ATOM 0 H41 C A 21 3.820 0.455 -2.612 1.00 0.00 H new ATOM 0 H42 C A 21 3.317 -1.091 -1.921 1.00 0.00 H new ATOM 0 H5 C A 21 5.435 1.898 -1.529 1.00 0.00 H new ATOM 0 H6 C A 21 6.898 2.173 0.393 1.00 0.00 H new ATOM 440 P G A 22 11.829 0.740 1.127 1.00 0.00 P ATOM 441 OP1 G A 22 13.194 1.136 1.562 1.00 0.00 O ATOM 442 OP2 G A 22 11.325 1.190 -0.197 1.00 0.00 O ATOM 443 O5' G A 22 11.725 -0.850 1.176 1.00 0.00 O ATOM 444 C5' G A 22 12.317 -1.592 2.239 1.00 0.00 C ATOM 445 C4' G A 22 12.032 -3.066 2.070 1.00 0.00 C ATOM 446 O4' G A 22 10.594 -3.269 2.036 1.00 0.00 O ATOM 447 C3' G A 22 12.534 -3.691 0.776 1.00 0.00 C ATOM 448 O3' G A 22 13.895 -4.091 0.882 1.00 0.00 O ATOM 449 C2' G A 22 11.593 -4.876 0.594 1.00 0.00 C ATOM 450 O2' G A 22 11.960 -5.965 1.421 1.00 0.00 O ATOM 451 C1' G A 22 10.277 -4.294 1.110 1.00 0.00 C ATOM 452 N9 G A 22 9.437 -3.727 0.057 1.00 0.00 N ATOM 453 C8 G A 22 9.207 -2.396 -0.197 1.00 0.00 C ATOM 454 N7 G A 22 8.410 -2.195 -1.212 1.00 0.00 N ATOM 455 C5 G A 22 8.094 -3.472 -1.657 1.00 0.00 C ATOM 456 C6 G A 22 7.265 -3.892 -2.730 1.00 0.00 C ATOM 457 O6 G A 22 6.626 -3.196 -3.529 1.00 0.00 O ATOM 458 N1 G A 22 7.220 -5.278 -2.830 1.00 0.00 N ATOM 459 C2 G A 22 7.885 -6.151 -2.004 1.00 0.00 C ATOM 460 N2 G A 22 7.717 -7.457 -2.262 1.00 0.00 N ATOM 461 N3 G A 22 8.660 -5.774 -1.000 1.00 0.00 N ATOM 462 C4 G A 22 8.718 -4.430 -0.884 1.00 0.00 C ATOM 0 H5' G A 22 11.925 -1.246 3.196 1.00 0.00 H new ATOM 0 H5'' G A 22 13.394 -1.422 2.255 1.00 0.00 H new ATOM 0 H4' G A 22 12.550 -3.534 2.907 1.00 0.00 H new ATOM 0 H3' G A 22 12.524 -3.008 -0.073 1.00 0.00 H new ATOM 0 H2' G A 22 11.578 -5.258 -0.427 1.00 0.00 H new ATOM 0 HO2' G A 22 11.336 -6.707 1.281 1.00 0.00 H new ATOM 0 H1' G A 22 9.709 -5.108 1.561 1.00 0.00 H new ATOM 0 H8 G A 22 9.642 -1.596 0.384 1.00 0.00 H new ATOM 0 H1 G A 22 6.649 -5.678 -3.575 1.00 0.00 H new ATOM 0 H21 G A 22 8.185 -8.155 -1.684 1.00 0.00 H new ATOM 0 H22 G A 22 7.122 -7.751 -3.036 1.00 0.00 H new ATOM 474 P G A 23 14.800 -4.199 -0.441 1.00 0.00 P ATOM 475 OP1 G A 23 16.170 -4.606 -0.036 1.00 0.00 O ATOM 476 OP2 G A 23 14.608 -2.950 -1.222 1.00 0.00 O ATOM 477 O5' G A 23 14.139 -5.397 -1.260 1.00 0.00 O ATOM 478 C5' G A 23 14.238 -6.743 -0.799 1.00 0.00 C ATOM 479 C4' G A 23 13.564 -7.680 -1.774 1.00 0.00 C ATOM 480 O4' G A 23 12.160 -7.332 -1.869 1.00 0.00 O ATOM 481 C3' G A 23 14.063 -7.611 -3.210 1.00 0.00 C ATOM 482 O3' G A 23 15.232 -8.406 -3.414 1.00 0.00 O ATOM 483 C2' G A 23 12.867 -8.121 -4.009 1.00 0.00 C ATOM 484 O2' G A 23 12.817 -9.536 -4.014 1.00 0.00 O ATOM 485 C1' G A 23 11.692 -7.599 -3.180 1.00 0.00 C ATOM 486 N9 G A 23 11.096 -6.378 -3.719 1.00 0.00 N ATOM 487 C8 G A 23 11.223 -5.101 -3.226 1.00 0.00 C ATOM 488 N7 G A 23 10.573 -4.211 -3.926 1.00 0.00 N ATOM 489 C5 G A 23 9.978 -4.945 -4.944 1.00 0.00 C ATOM 490 C6 G A 23 9.145 -4.525 -6.015 1.00 0.00 C ATOM 491 O6 G A 23 8.755 -3.381 -6.286 1.00 0.00 O ATOM 492 N1 G A 23 8.762 -5.595 -6.817 1.00 0.00 N ATOM 493 C2 G A 23 9.130 -6.902 -6.616 1.00 0.00 C ATOM 494 N2 G A 23 8.657 -7.792 -7.499 1.00 0.00 N ATOM 495 N3 G A 23 9.905 -7.308 -5.624 1.00 0.00 N ATOM 496 C4 G A 23 10.290 -6.285 -4.831 1.00 0.00 C ATOM 0 H5' G A 23 13.774 -6.834 0.183 1.00 0.00 H new ATOM 0 H5'' G A 23 15.286 -7.019 -0.683 1.00 0.00 H new ATOM 0 H4' G A 23 13.777 -8.672 -1.375 1.00 0.00 H new ATOM 0 H3' G A 23 14.376 -6.610 -3.506 1.00 0.00 H new ATOM 0 H2' G A 23 12.886 -7.803 -5.051 1.00 0.00 H new ATOM 0 HO2' G A 23 13.724 -9.896 -3.919 1.00 0.00 H new ATOM 0 HO3' G A 23 15.517 -8.334 -4.349 1.00 0.00 H new ATOM 0 H1' G A 23 10.917 -8.365 -3.196 1.00 0.00 H new ATOM 0 H8 G A 23 11.802 -4.858 -2.348 1.00 0.00 H new ATOM 0 H1 G A 23 8.161 -5.393 -7.616 1.00 0.00 H new ATOM 0 H21 G A 23 8.894 -8.780 -7.405 1.00 0.00 H new ATOM 0 H22 G A 23 8.060 -7.482 -8.265 1.00 0.00 H new TER 508 G A 23