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 -14:sc= 0.339 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -11:sc= -0.553 USER MOD Single : A 3 G O2' : rot -23:sc= 0.18 USER MOD Single : A 4 U O2' : rot -22:sc= 0.296 USER MOD Single : A 5 C O2' : rot -34:sc= 0.245 USER MOD Single : A 6 U O2' : rot -9:sc= -0.445 USER MOD Single : A 7 U O2' : rot -138:sc= -2.29! USER MOD Single : A 8 C O2' : rot 27:sc= 0.245 USER MOD Single : A 9 G O2' : rot -16:sc= 0.275 USER MOD Single : A 10 G O2' : rot 2:sc= -1.83! USER MOD Single : A 11 G O2' : rot -17:sc= 0.287 USER MOD Single : A 12 U O2' : rot -15:sc= 0.281 USER MOD Single : A 13 C O2' : rot -18:sc= 0.336 USER MOD Single : A 14 C O2' : rot -28:sc= 0.121 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 9.159 -5.296 4.255 1.00 0.00 O ATOM 2 C5' G A 1 10.288 -5.846 3.568 1.00 0.00 C ATOM 3 C4' G A 1 9.880 -6.517 2.259 1.00 0.00 C ATOM 4 O4' G A 1 8.935 -7.548 2.527 1.00 0.00 O ATOM 5 C3' G A 1 9.159 -5.618 1.277 1.00 0.00 C ATOM 6 O3' G A 1 10.152 -4.985 0.458 1.00 0.00 O ATOM 7 C2' G A 1 8.398 -6.610 0.408 1.00 0.00 C ATOM 8 O2' G A 1 9.251 -7.152 -0.606 1.00 0.00 O ATOM 9 C1' G A 1 8.018 -7.689 1.426 1.00 0.00 C ATOM 10 N9 G A 1 6.674 -7.464 1.971 1.00 0.00 N ATOM 11 C8 G A 1 6.354 -6.901 3.172 1.00 0.00 C ATOM 12 N7 G A 1 5.072 -6.803 3.382 1.00 0.00 N ATOM 13 C5 G A 1 4.505 -7.343 2.232 1.00 0.00 C ATOM 14 C6 G A 1 3.138 -7.509 1.874 1.00 0.00 C ATOM 15 O6 G A 1 2.138 -7.204 2.518 1.00 0.00 O ATOM 16 N1 G A 1 3.006 -8.094 0.630 1.00 0.00 N ATOM 17 C2 G A 1 4.046 -8.472 -0.178 1.00 0.00 C ATOM 18 N2 G A 1 3.735 -9.015 -1.347 1.00 0.00 N ATOM 19 N3 G A 1 5.330 -8.324 0.138 1.00 0.00 N ATOM 20 C4 G A 1 5.484 -7.753 1.356 1.00 0.00 C ATOM 0 H5' G A 1 10.786 -6.573 4.210 1.00 0.00 H new ATOM 0 H5'' G A 1 11.010 -5.055 3.362 1.00 0.00 H new ATOM 0 H4' G A 1 10.824 -6.852 1.829 1.00 0.00 H new ATOM 0 H3' G A 1 8.529 -4.860 1.742 1.00 0.00 H new ATOM 0 H2' G A 1 7.549 -6.177 -0.120 1.00 0.00 H new ATOM 0 HO2' G A 1 10.070 -6.617 -0.665 1.00 0.00 H new ATOM 0 HO5' G A 1 9.456 -4.876 5.089 1.00 0.00 H new ATOM 0 H1' G A 1 8.049 -8.666 0.944 1.00 0.00 H new ATOM 0 H8 G A 1 7.095 -6.567 3.883 1.00 0.00 H new ATOM 0 H1 G A 1 2.060 -8.258 0.286 1.00 0.00 H new ATOM 0 H21 G A 1 4.474 -9.313 -1.984 1.00 0.00 H new ATOM 0 H22 G A 1 2.757 -9.135 -1.609 1.00 0.00 H new ATOM 33 P G A 2 9.922 -3.487 -0.094 1.00 0.00 P ATOM 34 OP1 G A 2 11.214 -2.977 -0.602 1.00 0.00 O ATOM 35 OP2 G A 2 9.185 -2.724 0.939 1.00 0.00 O ATOM 36 O5' G A 2 8.937 -3.717 -1.349 1.00 0.00 O ATOM 37 C5' G A 2 9.456 -4.150 -2.615 1.00 0.00 C ATOM 38 C4' G A 2 8.363 -4.707 -3.524 1.00 0.00 C ATOM 39 O4' G A 2 7.646 -5.737 -2.833 1.00 0.00 O ATOM 40 C3' G A 2 7.274 -3.724 -3.920 1.00 0.00 C ATOM 41 O3' G A 2 7.699 -3.037 -5.104 1.00 0.00 O ATOM 42 C2' G A 2 6.149 -4.662 -4.314 1.00 0.00 C ATOM 43 O2' G A 2 6.409 -5.260 -5.590 1.00 0.00 O ATOM 44 C1' G A 2 6.252 -5.704 -3.201 1.00 0.00 C ATOM 45 N9 G A 2 5.481 -5.309 -2.015 1.00 0.00 N ATOM 46 C8 G A 2 5.927 -4.648 -0.905 1.00 0.00 C ATOM 47 N7 G A 2 4.995 -4.417 -0.023 1.00 0.00 N ATOM 48 C5 G A 2 3.850 -4.964 -0.597 1.00 0.00 C ATOM 49 C6 G A 2 2.516 -5.021 -0.107 1.00 0.00 C ATOM 50 O6 G A 2 2.072 -4.593 0.954 1.00 0.00 O ATOM 51 N1 G A 2 1.674 -5.658 -1.000 1.00 0.00 N ATOM 52 C2 G A 2 2.056 -6.179 -2.209 1.00 0.00 C ATOM 53 N2 G A 2 1.115 -6.752 -2.945 1.00 0.00 N ATOM 54 N3 G A 2 3.299 -6.137 -2.680 1.00 0.00 N ATOM 55 C4 G A 2 4.140 -5.516 -1.821 1.00 0.00 C ATOM 0 H5' G A 2 10.216 -4.914 -2.452 1.00 0.00 H new ATOM 0 H5'' G A 2 9.947 -3.313 -3.111 1.00 0.00 H new ATOM 0 H4' G A 2 8.908 -5.025 -4.413 1.00 0.00 H new ATOM 0 H3' G A 2 7.021 -2.993 -3.152 1.00 0.00 H new ATOM 0 H2' G A 2 5.172 -4.188 -4.410 1.00 0.00 H new ATOM 0 HO2' G A 2 7.164 -4.804 -6.017 1.00 0.00 H new ATOM 0 H1' G A 2 5.865 -6.663 -3.546 1.00 0.00 H new ATOM 0 H8 G A 2 6.955 -4.345 -0.771 1.00 0.00 H new ATOM 0 H1 G A 2 0.692 -5.747 -0.739 1.00 0.00 H new ATOM 0 H21 G A 2 1.351 -7.154 -3.852 1.00 0.00 H new ATOM 0 H22 G A 2 0.154 -6.791 -2.604 1.00 0.00 H new ATOM 67 P G A 3 7.040 -1.621 -5.507 1.00 0.00 P ATOM 68 OP1 G A 3 7.610 -1.199 -6.808 1.00 0.00 O ATOM 69 OP2 G A 3 7.130 -0.719 -4.338 1.00 0.00 O ATOM 70 O5' G A 3 5.488 -1.998 -5.733 1.00 0.00 O ATOM 71 C5' G A 3 5.071 -2.719 -6.900 1.00 0.00 C ATOM 72 C4' G A 3 3.587 -3.079 -6.850 1.00 0.00 C ATOM 73 O4' G A 3 3.309 -3.848 -5.677 1.00 0.00 O ATOM 74 C3' G A 3 2.636 -1.911 -6.714 1.00 0.00 C ATOM 75 O3' G A 3 2.389 -1.391 -8.027 1.00 0.00 O ATOM 76 C2' G A 3 1.365 -2.606 -6.244 1.00 0.00 C ATOM 77 O2' G A 3 0.689 -3.228 -7.343 1.00 0.00 O ATOM 78 C1' G A 3 1.933 -3.665 -5.287 1.00 0.00 C ATOM 79 N9 G A 3 1.878 -3.228 -3.878 1.00 0.00 N ATOM 80 C8 G A 3 2.884 -2.727 -3.091 1.00 0.00 C ATOM 81 N7 G A 3 2.499 -2.419 -1.883 1.00 0.00 N ATOM 82 C5 G A 3 1.145 -2.739 -1.870 1.00 0.00 C ATOM 83 C6 G A 3 0.185 -2.623 -0.825 1.00 0.00 C ATOM 84 O6 G A 3 0.345 -2.209 0.319 1.00 0.00 O ATOM 85 N1 G A 3 -1.063 -3.056 -1.230 1.00 0.00 N ATOM 86 C2 G A 3 -1.361 -3.542 -2.477 1.00 0.00 C ATOM 87 N2 G A 3 -2.612 -3.919 -2.690 1.00 0.00 N ATOM 88 N3 G A 3 -0.476 -3.657 -3.464 1.00 0.00 N ATOM 89 C4 G A 3 0.755 -3.238 -3.088 1.00 0.00 C ATOM 0 H5' G A 3 5.662 -3.630 -6.994 1.00 0.00 H new ATOM 0 H5'' G A 3 5.269 -2.118 -7.788 1.00 0.00 H new ATOM 0 H4' G A 3 3.427 -3.588 -7.800 1.00 0.00 H new ATOM 0 H3' G A 3 2.987 -1.107 -6.067 1.00 0.00 H new ATOM 0 H2' G A 3 0.632 -1.938 -5.791 1.00 0.00 H new ATOM 0 HO2' G A 3 0.953 -2.790 -8.179 1.00 0.00 H new ATOM 0 H1' G A 3 1.348 -4.582 -5.352 1.00 0.00 H new ATOM 0 H8 G A 3 3.899 -2.600 -3.439 1.00 0.00 H new ATOM 0 H1 G A 3 -1.821 -3.011 -0.549 1.00 0.00 H new ATOM 0 H21 G A 3 -2.885 -4.288 -3.601 1.00 0.00 H new ATOM 0 H22 G A 3 -3.302 -3.841 -1.943 1.00 0.00 H new ATOM 101 P U A 4 1.920 0.137 -8.225 1.00 0.00 P ATOM 102 OP1 U A 4 1.495 0.314 -9.634 1.00 0.00 O ATOM 103 OP2 U A 4 2.962 1.020 -7.654 1.00 0.00 O ATOM 104 O5' U A 4 0.613 0.234 -7.285 1.00 0.00 O ATOM 105 C5' U A 4 -0.663 -0.227 -7.748 1.00 0.00 C ATOM 106 C4' U A 4 -1.735 -0.094 -6.669 1.00 0.00 C ATOM 107 O4' U A 4 -1.393 -0.921 -5.549 1.00 0.00 O ATOM 108 C3' U A 4 -1.862 1.288 -6.064 1.00 0.00 C ATOM 109 O3' U A 4 -2.787 2.033 -6.866 1.00 0.00 O ATOM 110 C2' U A 4 -2.533 0.987 -4.736 1.00 0.00 C ATOM 111 O2' U A 4 -3.926 0.716 -4.918 1.00 0.00 O ATOM 112 C1' U A 4 -1.788 -0.283 -4.318 1.00 0.00 C ATOM 113 N1 U A 4 -0.574 0.014 -3.526 1.00 0.00 N ATOM 114 C2 U A 4 -0.715 0.126 -2.155 1.00 0.00 C ATOM 115 O2 U A 4 -1.799 0.005 -1.587 1.00 0.00 O ATOM 116 N3 U A 4 0.436 0.398 -1.451 1.00 0.00 N ATOM 117 C4 U A 4 1.694 0.570 -1.985 1.00 0.00 C ATOM 118 O4 U A 4 2.641 0.822 -1.248 1.00 0.00 O ATOM 119 C5 U A 4 1.766 0.439 -3.420 1.00 0.00 C ATOM 120 C6 U A 4 0.646 0.171 -4.134 1.00 0.00 C ATOM 0 H5' U A 4 -0.584 -1.270 -8.056 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.959 0.344 -8.628 1.00 0.00 H new ATOM 0 H4' U A 4 -2.659 -0.362 -7.181 1.00 0.00 H new ATOM 0 H3' U A 4 -0.925 1.840 -5.985 1.00 0.00 H new ATOM 0 H2' U A 4 -2.488 1.801 -4.013 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.230 1.115 -5.760 1.00 0.00 H new ATOM 0 H1' U A 4 -2.430 -0.904 -3.693 1.00 0.00 H new ATOM 0 H3 U A 4 0.349 0.480 -0.438 1.00 0.00 H new ATOM 0 H5 U A 4 2.713 0.555 -3.926 1.00 0.00 H new ATOM 0 H6 U A 4 0.715 0.079 -5.208 1.00 0.00 H new ATOM 131 P C A 5 -2.684 3.638 -6.957 1.00 0.00 P ATOM 132 OP1 C A 5 -3.534 4.096 -8.080 1.00 0.00 O ATOM 133 OP2 C A 5 -1.252 4.014 -6.912 1.00 0.00 O ATOM 134 O5' C A 5 -3.367 4.111 -5.576 1.00 0.00 O ATOM 135 C5' C A 5 -4.790 4.254 -5.473 1.00 0.00 C ATOM 136 C4' C A 5 -5.218 4.641 -4.060 1.00 0.00 C ATOM 137 O4' C A 5 -4.807 3.623 -3.138 1.00 0.00 O ATOM 138 C3' C A 5 -4.565 5.892 -3.512 1.00 0.00 C ATOM 139 O3' C A 5 -5.362 7.012 -3.918 1.00 0.00 O ATOM 140 C2' C A 5 -4.753 5.708 -2.016 1.00 0.00 C ATOM 141 O2' C A 5 -6.103 5.990 -1.633 1.00 0.00 O ATOM 142 C1' C A 5 -4.454 4.214 -1.872 1.00 0.00 C ATOM 143 N1 C A 5 -3.025 3.945 -1.600 1.00 0.00 N ATOM 144 C2 C A 5 -2.635 3.812 -0.278 1.00 0.00 C ATOM 145 O2 C A 5 -3.456 3.931 0.628 1.00 0.00 O ATOM 146 N3 C A 5 -1.330 3.557 -0.002 1.00 0.00 N ATOM 147 C4 C A 5 -0.436 3.436 -0.988 1.00 0.00 C ATOM 148 N4 C A 5 0.825 3.191 -0.648 1.00 0.00 N ATOM 149 C5 C A 5 -0.825 3.571 -2.357 1.00 0.00 C ATOM 150 C6 C A 5 -2.121 3.825 -2.618 1.00 0.00 C ATOM 0 H5' C A 5 -5.271 3.318 -5.755 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.131 5.013 -6.177 1.00 0.00 H new ATOM 0 H4' C A 5 -6.295 4.789 -4.146 1.00 0.00 H new ATOM 0 H3' C A 5 -3.533 6.046 -3.827 1.00 0.00 H new ATOM 0 H2' C A 5 -4.135 6.360 -1.399 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.458 6.711 -2.194 1.00 0.00 H new ATOM 0 H1' C A 5 -5.014 3.804 -1.031 1.00 0.00 H new ATOM 0 H41 C A 5 1.538 3.092 -1.371 1.00 0.00 H new ATOM 0 H42 C A 5 1.080 3.102 0.336 1.00 0.00 H new ATOM 0 H5 C A 5 -0.104 3.473 -3.155 1.00 0.00 H new ATOM 0 H6 C A 5 -2.449 3.935 -3.641 1.00 0.00 H new ATOM 162 P U A 6 -4.667 8.420 -4.280 1.00 0.00 P ATOM 163 OP1 U A 6 -5.716 9.343 -4.769 1.00 0.00 O ATOM 164 OP2 U A 6 -3.474 8.148 -5.112 1.00 0.00 O ATOM 165 O5' U A 6 -4.161 8.942 -2.840 1.00 0.00 O ATOM 166 C5' U A 6 -5.092 9.433 -1.867 1.00 0.00 C ATOM 167 C4' U A 6 -4.459 9.535 -0.482 1.00 0.00 C ATOM 168 O4' U A 6 -3.986 8.243 -0.080 1.00 0.00 O ATOM 169 C3' U A 6 -3.225 10.413 -0.403 1.00 0.00 C ATOM 170 O3' U A 6 -3.672 11.744 -0.109 1.00 0.00 O ATOM 171 C2' U A 6 -2.529 9.868 0.836 1.00 0.00 C ATOM 172 O2' U A 6 -3.164 10.349 2.026 1.00 0.00 O ATOM 173 C1' U A 6 -2.762 8.363 0.666 1.00 0.00 C ATOM 174 N1 U A 6 -1.679 7.698 -0.091 1.00 0.00 N ATOM 175 C2 U A 6 -0.681 7.072 0.633 1.00 0.00 C ATOM 176 O2 U A 6 -0.662 7.059 1.861 1.00 0.00 O ATOM 177 N3 U A 6 0.303 6.453 -0.105 1.00 0.00 N ATOM 178 C4 U A 6 0.378 6.402 -1.480 1.00 0.00 C ATOM 179 O4 U A 6 1.304 5.806 -2.021 1.00 0.00 O ATOM 180 C5 U A 6 -0.696 7.077 -2.169 1.00 0.00 C ATOM 181 C6 U A 6 -1.675 7.693 -1.463 1.00 0.00 C ATOM 0 H5' U A 6 -5.957 8.771 -1.824 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.456 10.413 -2.174 1.00 0.00 H new ATOM 0 H4' U A 6 -5.248 9.956 0.141 1.00 0.00 H new ATOM 0 H3' U A 6 -2.605 10.422 -1.300 1.00 0.00 H new ATOM 0 H2' U A 6 -1.482 10.155 0.930 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.815 11.043 1.792 1.00 0.00 H new ATOM 0 H1' U A 6 -2.797 7.885 1.645 1.00 0.00 H new ATOM 0 H3 U A 6 1.047 5.988 0.415 1.00 0.00 H new ATOM 0 H5 U A 6 -0.719 7.091 -3.249 1.00 0.00 H new ATOM 0 H6 U A 6 -2.472 8.193 -1.994 1.00 0.00 H new ATOM 192 P U A 7 -2.722 13.020 -0.367 1.00 0.00 P ATOM 193 OP1 U A 7 -3.583 14.181 -0.683 1.00 0.00 O ATOM 194 OP2 U A 7 -1.643 12.621 -1.304 1.00 0.00 O ATOM 195 O5' U A 7 -2.066 13.254 1.085 1.00 0.00 O ATOM 196 C5' U A 7 -1.545 14.532 1.471 1.00 0.00 C ATOM 197 C4' U A 7 -1.457 14.659 2.989 1.00 0.00 C ATOM 198 O4' U A 7 -2.780 14.564 3.552 1.00 0.00 O ATOM 199 C3' U A 7 -0.663 13.548 3.668 1.00 0.00 C ATOM 200 O3' U A 7 -0.154 14.070 4.901 1.00 0.00 O ATOM 201 C2' U A 7 -1.733 12.522 4.008 1.00 0.00 C ATOM 202 O2' U A 7 -1.314 11.683 5.089 1.00 0.00 O ATOM 203 C1' U A 7 -2.868 13.439 4.439 1.00 0.00 C ATOM 204 N1 U A 7 -4.196 12.812 4.285 1.00 0.00 N ATOM 205 C2 U A 7 -4.915 12.545 5.435 1.00 0.00 C ATOM 206 O2 U A 7 -4.499 12.819 6.557 1.00 0.00 O ATOM 207 N3 U A 7 -6.146 11.956 5.253 1.00 0.00 N ATOM 208 C4 U A 7 -6.714 11.612 4.046 1.00 0.00 C ATOM 209 O4 U A 7 -7.825 11.091 4.019 1.00 0.00 O ATOM 210 C5 U A 7 -5.905 11.919 2.891 1.00 0.00 C ATOM 211 C6 U A 7 -4.691 12.501 3.046 1.00 0.00 C ATOM 0 H5' U A 7 -2.183 15.322 1.074 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.556 14.671 1.034 1.00 0.00 H new ATOM 0 H4' U A 7 -0.962 15.614 3.162 1.00 0.00 H new ATOM 0 H3' U A 7 0.156 13.154 3.066 1.00 0.00 H new ATOM 0 H2' U A 7 -1.982 11.836 3.198 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.560 10.754 4.897 1.00 0.00 H new ATOM 0 H1' U A 7 -2.771 13.695 5.494 1.00 0.00 H new ATOM 0 H3 U A 7 -6.690 11.755 6.092 1.00 0.00 H new ATOM 0 H5 U A 7 -6.268 11.684 1.901 1.00 0.00 H new ATOM 0 H6 U A 7 -4.099 12.725 2.171 1.00 0.00 H new ATOM 222 P C A 8 1.433 14.086 5.181 1.00 0.00 P ATOM 223 OP1 C A 8 1.647 14.347 6.622 1.00 0.00 O ATOM 224 OP2 C A 8 2.072 14.961 4.171 1.00 0.00 O ATOM 225 O5' C A 8 1.860 12.561 4.870 1.00 0.00 O ATOM 226 C5' C A 8 1.482 11.503 5.759 1.00 0.00 C ATOM 227 C4' C A 8 1.991 10.144 5.281 1.00 0.00 C ATOM 228 O4' C A 8 1.345 9.792 4.046 1.00 0.00 O ATOM 229 C3' C A 8 3.492 10.088 4.982 1.00 0.00 C ATOM 230 O3' C A 8 3.938 8.757 5.295 1.00 0.00 O ATOM 231 C2' C A 8 3.557 10.250 3.469 1.00 0.00 C ATOM 232 O2' C A 8 4.744 9.644 2.943 1.00 0.00 O ATOM 233 C1' C A 8 2.318 9.474 3.049 1.00 0.00 C ATOM 234 N1 C A 8 1.789 9.878 1.728 1.00 0.00 N ATOM 235 C2 C A 8 1.857 8.952 0.698 1.00 0.00 C ATOM 236 O2 C A 8 2.367 7.851 0.887 1.00 0.00 O ATOM 237 N3 C A 8 1.346 9.289 -0.518 1.00 0.00 N ATOM 238 C4 C A 8 0.791 10.489 -0.713 1.00 0.00 C ATOM 239 N4 C A 8 0.294 10.750 -1.918 1.00 0.00 N ATOM 240 C5 C A 8 0.721 11.451 0.340 1.00 0.00 C ATOM 241 C6 C A 8 1.230 11.107 1.538 1.00 0.00 C ATOM 0 H5' C A 8 0.396 11.473 5.846 1.00 0.00 H new ATOM 0 H5'' C A 8 1.876 11.708 6.754 1.00 0.00 H new ATOM 0 H4' C A 8 1.771 9.467 6.107 1.00 0.00 H new ATOM 0 H3' C A 8 4.082 10.824 5.528 1.00 0.00 H new ATOM 0 H2' C A 8 3.586 11.283 3.121 1.00 0.00 H new ATOM 0 HO2' C A 8 5.030 8.917 3.535 1.00 0.00 H new ATOM 0 H1' C A 8 2.554 8.413 2.964 1.00 0.00 H new ATOM 0 H41 C A 8 -0.138 11.655 -2.107 1.00 0.00 H new ATOM 0 H42 C A 8 0.345 10.046 -2.654 1.00 0.00 H new ATOM 0 H5 C A 8 0.275 12.422 0.181 1.00 0.00 H new ATOM 0 H6 C A 8 1.195 11.811 2.356 1.00 0.00 H new ATOM 253 P G A 9 5.109 8.503 6.382 1.00 0.00 P ATOM 254 OP1 G A 9 5.859 9.766 6.563 1.00 0.00 O ATOM 255 OP2 G A 9 5.831 7.269 5.998 1.00 0.00 O ATOM 256 O5' G A 9 4.291 8.205 7.740 1.00 0.00 O ATOM 257 C5' G A 9 3.388 9.178 8.282 1.00 0.00 C ATOM 258 C4' G A 9 2.367 8.543 9.223 1.00 0.00 C ATOM 259 O4' G A 9 1.212 9.391 9.297 1.00 0.00 O ATOM 260 C3' G A 9 1.797 7.218 8.755 1.00 0.00 C ATOM 261 O3' G A 9 2.650 6.179 9.250 1.00 0.00 O ATOM 262 C2' G A 9 0.490 7.148 9.525 1.00 0.00 C ATOM 263 O2' G A 9 0.726 6.787 10.891 1.00 0.00 O ATOM 264 C1' G A 9 0.012 8.598 9.423 1.00 0.00 C ATOM 265 N9 G A 9 -0.856 8.837 8.245 1.00 0.00 N ATOM 266 C8 G A 9 -2.044 9.521 8.188 1.00 0.00 C ATOM 267 N7 G A 9 -2.576 9.556 6.998 1.00 0.00 N ATOM 268 C5 G A 9 -1.680 8.844 6.206 1.00 0.00 C ATOM 269 C6 G A 9 -1.723 8.544 4.815 1.00 0.00 C ATOM 270 O6 G A 9 -2.582 8.848 3.990 1.00 0.00 O ATOM 271 N1 G A 9 -0.624 7.806 4.418 1.00 0.00 N ATOM 272 C2 G A 9 0.392 7.405 5.246 1.00 0.00 C ATOM 273 N2 G A 9 1.378 6.708 4.699 1.00 0.00 N ATOM 274 N3 G A 9 0.447 7.676 6.546 1.00 0.00 N ATOM 275 C4 G A 9 -0.620 8.399 6.959 1.00 0.00 C ATOM 0 H5' G A 9 2.867 9.683 7.469 1.00 0.00 H new ATOM 0 H5'' G A 9 3.954 9.939 8.820 1.00 0.00 H new ATOM 0 H4' G A 9 2.914 8.401 10.155 1.00 0.00 H new ATOM 0 H3' G A 9 1.694 7.123 7.674 1.00 0.00 H new ATOM 0 H2' G A 9 -0.219 6.411 9.147 1.00 0.00 H new ATOM 0 HO2' G A 9 1.629 6.416 10.980 1.00 0.00 H new ATOM 0 H1' G A 9 -0.587 8.852 10.298 1.00 0.00 H new ATOM 0 H8 G A 9 -2.497 9.988 9.050 1.00 0.00 H new ATOM 0 H1 G A 9 -0.565 7.540 3.435 1.00 0.00 H new ATOM 0 H21 G A 9 2.156 6.387 5.275 1.00 0.00 H new ATOM 0 H22 G A 9 1.358 6.492 3.702 1.00 0.00 H new ATOM 287 P G A 10 3.446 5.209 8.235 1.00 0.00 P ATOM 288 OP1 G A 10 4.834 5.065 8.729 1.00 0.00 O ATOM 289 OP2 G A 10 3.200 5.675 6.849 1.00 0.00 O ATOM 290 O5' G A 10 2.696 3.789 8.429 1.00 0.00 O ATOM 291 C5' G A 10 2.028 3.471 9.659 1.00 0.00 C ATOM 292 C4' G A 10 0.510 3.416 9.492 1.00 0.00 C ATOM 293 O4' G A 10 0.116 4.504 8.642 1.00 0.00 O ATOM 294 C3' G A 10 -0.009 2.183 8.767 1.00 0.00 C ATOM 295 O3' G A 10 -0.380 1.215 9.759 1.00 0.00 O ATOM 296 C2' G A 10 -1.287 2.689 8.122 1.00 0.00 C ATOM 297 O2' G A 10 -2.343 2.795 9.084 1.00 0.00 O ATOM 298 C1' G A 10 -0.839 4.066 7.662 1.00 0.00 C ATOM 299 N9 G A 10 -0.138 3.983 6.372 1.00 0.00 N ATOM 300 C8 G A 10 1.167 3.638 6.150 1.00 0.00 C ATOM 301 N7 G A 10 1.496 3.616 4.889 1.00 0.00 N ATOM 302 C5 G A 10 0.320 3.971 4.233 1.00 0.00 C ATOM 303 C6 G A 10 0.057 4.117 2.844 1.00 0.00 C ATOM 304 O6 G A 10 0.824 3.966 1.899 1.00 0.00 O ATOM 305 N1 G A 10 -1.253 4.484 2.613 1.00 0.00 N ATOM 306 C2 G A 10 -2.199 4.693 3.585 1.00 0.00 C ATOM 307 N2 G A 10 -3.411 5.041 3.178 1.00 0.00 N ATOM 308 N3 G A 10 -1.970 4.564 4.887 1.00 0.00 N ATOM 309 C4 G A 10 -0.689 4.201 5.138 1.00 0.00 C ATOM 0 H5' G A 10 2.282 4.217 10.412 1.00 0.00 H new ATOM 0 H5'' G A 10 2.387 2.510 10.028 1.00 0.00 H new ATOM 0 H4' G A 10 0.111 3.434 10.506 1.00 0.00 H new ATOM 0 H3' G A 10 0.704 1.743 8.070 1.00 0.00 H new ATOM 0 H2' G A 10 -1.683 2.047 7.335 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.006 2.541 9.969 1.00 0.00 H new ATOM 0 H1' G A 10 -1.695 4.732 7.553 1.00 0.00 H new ATOM 0 H8 G A 10 1.860 3.406 6.945 1.00 0.00 H new ATOM 0 H1 G A 10 -1.541 4.610 1.643 1.00 0.00 H new ATOM 0 H21 G A 10 -4.150 5.208 3.861 1.00 0.00 H new ATOM 0 H22 G A 10 -3.605 5.142 2.182 1.00 0.00 H new ATOM 321 P G A 11 -0.544 -0.342 9.371 1.00 0.00 P ATOM 322 OP1 G A 11 -0.842 -1.098 10.608 1.00 0.00 O ATOM 323 OP2 G A 11 0.606 -0.734 8.528 1.00 0.00 O ATOM 324 O5' G A 11 -1.869 -0.343 8.448 1.00 0.00 O ATOM 325 C5' G A 11 -3.147 0.002 9.001 1.00 0.00 C ATOM 326 C4' G A 11 -4.191 0.253 7.913 1.00 0.00 C ATOM 327 O4' G A 11 -3.714 1.253 7.006 1.00 0.00 O ATOM 328 C3' G A 11 -4.479 -0.930 7.008 1.00 0.00 C ATOM 329 O3' G A 11 -5.510 -1.709 7.633 1.00 0.00 O ATOM 330 C2' G A 11 -5.091 -0.250 5.795 1.00 0.00 C ATOM 331 O2' G A 11 -6.449 0.123 6.056 1.00 0.00 O ATOM 332 C1' G A 11 -4.207 0.997 5.675 1.00 0.00 C ATOM 333 N9 G A 11 -3.058 0.797 4.768 1.00 0.00 N ATOM 334 C8 G A 11 -1.742 0.578 5.087 1.00 0.00 C ATOM 335 N7 G A 11 -0.963 0.462 4.047 1.00 0.00 N ATOM 336 C5 G A 11 -1.823 0.612 2.965 1.00 0.00 C ATOM 337 C6 G A 11 -1.551 0.581 1.569 1.00 0.00 C ATOM 338 O6 G A 11 -0.474 0.423 1.004 1.00 0.00 O ATOM 339 N1 G A 11 -2.698 0.771 0.822 1.00 0.00 N ATOM 340 C2 G A 11 -3.951 0.970 1.341 1.00 0.00 C ATOM 341 N2 G A 11 -4.942 1.134 0.477 1.00 0.00 N ATOM 342 N3 G A 11 -4.223 1.004 2.645 1.00 0.00 N ATOM 343 C4 G A 11 -3.111 0.818 3.396 1.00 0.00 C ATOM 0 H5' G A 11 -3.046 0.894 9.620 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.489 -0.801 9.654 1.00 0.00 H new ATOM 0 H4' G A 11 -5.086 0.519 8.475 1.00 0.00 H new ATOM 0 H3' G A 11 -3.618 -1.563 6.792 1.00 0.00 H new ATOM 0 H2' G A 11 -5.122 -0.871 4.900 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.778 -0.365 6.840 1.00 0.00 H new ATOM 0 H1' G A 11 -4.787 1.821 5.261 1.00 0.00 H new ATOM 0 H8 G A 11 -1.384 0.508 6.104 1.00 0.00 H new ATOM 0 H1 G A 11 -2.605 0.763 -0.194 1.00 0.00 H new ATOM 0 H21 G A 11 -5.893 1.285 0.814 1.00 0.00 H new ATOM 0 H22 G A 11 -4.754 1.109 -0.525 1.00 0.00 H new ATOM 355 P U A 12 -5.469 -3.319 7.584 1.00 0.00 P ATOM 356 OP1 U A 12 -6.696 -3.834 8.230 1.00 0.00 O ATOM 357 OP2 U A 12 -4.141 -3.764 8.063 1.00 0.00 O ATOM 358 O5' U A 12 -5.559 -3.624 6.006 1.00 0.00 O ATOM 359 C5' U A 12 -6.797 -3.478 5.297 1.00 0.00 C ATOM 360 C4' U A 12 -6.584 -3.527 3.787 1.00 0.00 C ATOM 361 O4' U A 12 -5.743 -2.437 3.389 1.00 0.00 O ATOM 362 C3' U A 12 -5.844 -4.756 3.293 1.00 0.00 C ATOM 363 O3' U A 12 -6.827 -5.756 2.999 1.00 0.00 O ATOM 364 C2' U A 12 -5.260 -4.275 1.976 1.00 0.00 C ATOM 365 O2' U A 12 -6.258 -4.259 0.951 1.00 0.00 O ATOM 366 C1' U A 12 -4.841 -2.850 2.345 1.00 0.00 C ATOM 367 N1 U A 12 -3.459 -2.784 2.867 1.00 0.00 N ATOM 368 C2 U A 12 -2.436 -2.586 1.960 1.00 0.00 C ATOM 369 O2 U A 12 -2.631 -2.489 0.750 1.00 0.00 O ATOM 370 N3 U A 12 -1.166 -2.518 2.487 1.00 0.00 N ATOM 371 C4 U A 12 -0.830 -2.629 3.819 1.00 0.00 C ATOM 372 O4 U A 12 0.344 -2.557 4.162 1.00 0.00 O ATOM 373 C5 U A 12 -1.948 -2.834 4.707 1.00 0.00 C ATOM 374 C6 U A 12 -3.206 -2.904 4.210 1.00 0.00 C ATOM 0 H5' U A 12 -7.264 -2.532 5.569 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.484 -4.270 5.595 1.00 0.00 H new ATOM 0 H4' U A 12 -7.591 -3.508 3.371 1.00 0.00 H new ATOM 0 H3' U A 12 -5.107 -5.156 3.990 1.00 0.00 H new ATOM 0 H2' U A 12 -4.455 -4.898 1.586 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.032 -4.786 1.240 1.00 0.00 H new ATOM 0 H1' U A 12 -4.877 -2.215 1.460 1.00 0.00 H new ATOM 0 H3 U A 12 -0.401 -2.371 1.829 1.00 0.00 H new ATOM 0 H5 U A 12 -1.782 -2.932 5.770 1.00 0.00 H new ATOM 0 H6 U A 12 -4.032 -3.058 4.889 1.00 0.00 H new ATOM 385 P C A 13 -6.672 -7.253 3.578 1.00 0.00 P ATOM 386 OP1 C A 13 -8.023 -7.844 3.704 1.00 0.00 O ATOM 387 OP2 C A 13 -5.770 -7.208 4.752 1.00 0.00 O ATOM 388 O5' C A 13 -5.897 -8.006 2.383 1.00 0.00 O ATOM 389 C5' C A 13 -6.600 -8.446 1.215 1.00 0.00 C ATOM 390 C4' C A 13 -5.650 -8.691 0.049 1.00 0.00 C ATOM 391 O4' C A 13 -4.975 -7.474 -0.281 1.00 0.00 O ATOM 392 C3' C A 13 -4.521 -9.662 0.336 1.00 0.00 C ATOM 393 O3' C A 13 -5.006 -10.978 0.026 1.00 0.00 O ATOM 394 C2' C A 13 -3.500 -9.278 -0.722 1.00 0.00 C ATOM 395 O2' C A 13 -3.861 -9.822 -1.995 1.00 0.00 O ATOM 396 C1' C A 13 -3.634 -7.749 -0.727 1.00 0.00 C ATOM 397 N1 C A 13 -2.682 -7.087 0.192 1.00 0.00 N ATOM 398 C2 C A 13 -1.553 -6.504 -0.364 1.00 0.00 C ATOM 399 O2 C A 13 -1.365 -6.545 -1.575 1.00 0.00 O ATOM 400 N3 C A 13 -0.662 -5.889 0.459 1.00 0.00 N ATOM 401 C4 C A 13 -0.869 -5.844 1.778 1.00 0.00 C ATOM 402 N4 C A 13 0.043 -5.234 2.526 1.00 0.00 N ATOM 403 C5 C A 13 -2.031 -6.440 2.362 1.00 0.00 C ATOM 404 C6 C A 13 -2.906 -7.047 1.539 1.00 0.00 C ATOM 0 H5' C A 13 -7.340 -7.698 0.931 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.144 -9.363 1.441 1.00 0.00 H new ATOM 0 H4' C A 13 -6.292 -9.093 -0.735 1.00 0.00 H new ATOM 0 H3' C A 13 -4.141 -9.640 1.357 1.00 0.00 H new ATOM 0 H2' C A 13 -2.491 -9.640 -0.526 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.508 -10.547 -1.869 1.00 0.00 H new ATOM 0 H1' C A 13 -3.420 -7.367 -1.725 1.00 0.00 H new ATOM 0 H41 C A 13 -0.080 -5.179 3.537 1.00 0.00 H new ATOM 0 H42 C A 13 0.867 -4.820 2.089 1.00 0.00 H new ATOM 0 H5 C A 13 -2.200 -6.404 3.428 1.00 0.00 H new ATOM 0 H6 C A 13 -3.794 -7.507 1.947 1.00 0.00 H new ATOM 416 P C A 14 -5.112 -12.115 1.165 1.00 0.00 P ATOM 417 OP1 C A 14 -6.314 -12.935 0.891 1.00 0.00 O ATOM 418 OP2 C A 14 -4.943 -11.469 2.485 1.00 0.00 O ATOM 419 O5' C A 14 -3.808 -13.023 0.885 1.00 0.00 O ATOM 420 C5' C A 14 -3.691 -13.795 -0.319 1.00 0.00 C ATOM 421 C4' C A 14 -2.335 -13.594 -0.985 1.00 0.00 C ATOM 422 O4' C A 14 -2.110 -12.191 -1.173 1.00 0.00 O ATOM 423 C3' C A 14 -1.142 -14.050 -0.160 1.00 0.00 C ATOM 424 O3' C A 14 -0.914 -15.453 -0.328 1.00 0.00 O ATOM 425 C2' C A 14 -0.025 -13.230 -0.791 1.00 0.00 C ATOM 426 O2' C A 14 0.368 -13.786 -2.053 1.00 0.00 O ATOM 427 C1' C A 14 -0.719 -11.882 -0.990 1.00 0.00 C ATOM 428 N1 C A 14 -0.581 -10.995 0.185 1.00 0.00 N ATOM 429 C2 C A 14 0.360 -9.979 0.120 1.00 0.00 C ATOM 430 O2 C A 14 1.042 -9.824 -0.891 1.00 0.00 O ATOM 431 N3 C A 14 0.514 -9.160 1.194 1.00 0.00 N ATOM 432 C4 C A 14 -0.229 -9.329 2.293 1.00 0.00 C ATOM 433 N4 C A 14 -0.017 -8.503 3.310 1.00 0.00 N ATOM 434 C5 C A 14 -1.204 -10.369 2.370 1.00 0.00 C ATOM 435 C6 C A 14 -1.349 -11.174 1.303 1.00 0.00 C ATOM 0 H5' C A 14 -4.483 -13.511 -1.012 1.00 0.00 H new ATOM 0 H5'' C A 14 -3.831 -14.851 -0.090 1.00 0.00 H new ATOM 0 H4' C A 14 -2.391 -14.184 -1.900 1.00 0.00 H new ATOM 0 H3' C A 14 -1.250 -13.908 0.915 1.00 0.00 H new ATOM 0 H2' C A 14 0.887 -13.185 -0.196 1.00 0.00 H new ATOM 0 HO2' C A 14 0.201 -14.752 -2.051 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.141 -15.726 0.210 1.00 0.00 H new ATOM 0 H1' C A 14 -0.273 -11.356 -1.834 1.00 0.00 H new ATOM 0 H41 C A 14 -0.563 -8.598 4.167 1.00 0.00 H new ATOM 0 H42 C A 14 0.692 -7.773 3.235 1.00 0.00 H new ATOM 0 H5 C A 14 -1.806 -10.505 3.257 1.00 0.00 H new ATOM 0 H6 C A 14 -2.079 -11.970 1.329 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.567 0.281 2.751 1.00 0.00 CO HETATM 450 N1 NCO A 15 2.918 -0.943 1.326 1.00 0.00 N HETATM 451 N2 NCO A 15 4.215 1.504 4.176 1.00 0.00 N HETATM 452 N3 NCO A 15 1.755 1.081 2.889 1.00 0.00 N HETATM 453 N4 NCO A 15 5.379 -0.521 2.612 1.00 0.00 N HETATM 454 N5 NCO A 15 4.055 1.627 1.374 1.00 0.00 N HETATM 455 N6 NCO A 15 3.078 -1.065 4.128 1.00 0.00 N