USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 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 -17:sc= 0.107 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -151:sc= -1.13! USER MOD Single : A 3 G O2' : rot -16:sc= 0.062 USER MOD Single : A 4 A O2' : rot -17:sc= 0.0712 USER MOD Single : A 5 G O2' : rot -24:sc= 0.0733 USER MOD Single : A 6 U O2' : rot -161:sc= -3.78! USER MOD Single : A 7 U O2' : rot 40:sc= -0.153 USER MOD Single : A 8 G O2' : rot 14:sc= 0.202 USER MOD Single : A 9 G O2' : rot 180:sc= -0.714 USER MOD Single : A 10 G O2' : rot 153:sc= -2.91! USER MOD Single : A 11 C O2' : rot 180:sc= -1.54! USER MOD Single : A 12 U O2' : rot 180:sc= -3.26! USER MOD Single : A 13 C O2' : rot 180:sc= -2.34! USER MOD Single : A 14 U O2' : rot -111:sc= 0.0781 USER MOD Single : A 15 C O2' : rot -17:sc= 0.13 USER MOD Single : A 15 C O3' : rot 180:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -5.528 -7.328 -9.114 1.00 0.00 O ATOM 2 C5' G A 1 -4.865 -6.834 -7.947 1.00 0.00 C ATOM 3 C4' G A 1 -5.502 -7.387 -6.694 1.00 0.00 C ATOM 4 O4' G A 1 -4.555 -8.278 -6.049 1.00 0.00 O ATOM 5 C3' G A 1 -5.856 -6.354 -5.633 1.00 0.00 C ATOM 6 O3' G A 1 -7.162 -5.827 -5.851 1.00 0.00 O ATOM 7 C2' G A 1 -5.757 -7.147 -4.334 1.00 0.00 C ATOM 8 O2' G A 1 -6.932 -7.901 -4.099 1.00 0.00 O ATOM 9 C1' G A 1 -4.617 -8.115 -4.644 1.00 0.00 C ATOM 10 N9 G A 1 -3.305 -7.672 -4.182 1.00 0.00 N ATOM 11 C8 G A 1 -2.727 -6.436 -4.342 1.00 0.00 C ATOM 12 N7 G A 1 -1.517 -6.370 -3.860 1.00 0.00 N ATOM 13 C5 G A 1 -1.293 -7.631 -3.322 1.00 0.00 C ATOM 14 C6 G A 1 -0.159 -8.160 -2.649 1.00 0.00 C ATOM 15 O6 G A 1 0.918 -7.608 -2.396 1.00 0.00 O ATOM 16 N1 G A 1 -0.365 -9.479 -2.262 1.00 0.00 N ATOM 17 C2 G A 1 -1.510 -10.199 -2.499 1.00 0.00 C ATOM 18 N2 G A 1 -1.521 -11.457 -2.058 1.00 0.00 N ATOM 19 N3 G A 1 -2.568 -9.721 -3.124 1.00 0.00 N ATOM 20 C4 G A 1 -2.393 -8.441 -3.504 1.00 0.00 C ATOM 0 H5' G A 1 -4.908 -5.745 -7.932 1.00 0.00 H new ATOM 0 H5'' G A 1 -3.811 -7.111 -7.977 1.00 0.00 H new ATOM 0 H4' G A 1 -6.424 -7.859 -7.035 1.00 0.00 H new ATOM 0 H3' G A 1 -5.204 -5.481 -5.635 1.00 0.00 H new ATOM 0 H2' G A 1 -5.611 -6.512 -3.460 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.661 -7.553 -4.654 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.101 -6.957 -9.914 1.00 0.00 H new ATOM 0 H1' G A 1 -4.838 -9.040 -4.112 1.00 0.00 H new ATOM 0 H8 G A 1 -3.224 -5.604 -4.818 1.00 0.00 H new ATOM 0 H1 G A 1 0.392 -9.948 -1.764 1.00 0.00 H new ATOM 0 H21 G A 1 -2.344 -12.042 -2.205 1.00 0.00 H new ATOM 0 H22 G A 1 -0.706 -11.835 -1.574 1.00 0.00 H new ATOM 33 P A A 2 -7.564 -4.399 -5.230 1.00 0.00 P ATOM 34 OP1 A A 2 -9.006 -4.190 -5.514 1.00 0.00 O ATOM 35 OP2 A A 2 -6.574 -3.393 -5.692 1.00 0.00 O ATOM 36 O5' A A 2 -7.396 -4.601 -3.658 1.00 0.00 O ATOM 37 C5' A A 2 -6.162 -4.311 -3.006 1.00 0.00 C ATOM 38 C4' A A 2 -6.049 -5.119 -1.733 1.00 0.00 C ATOM 39 O4' A A 2 -5.001 -6.117 -1.876 1.00 0.00 O ATOM 40 C3' A A 2 -5.633 -4.326 -0.508 1.00 0.00 C ATOM 41 O3' A A 2 -6.750 -3.653 0.070 1.00 0.00 O ATOM 42 C2' A A 2 -5.049 -5.409 0.391 1.00 0.00 C ATOM 43 O2' A A 2 -6.063 -6.178 1.012 1.00 0.00 O ATOM 44 C1' A A 2 -4.335 -6.287 -0.635 1.00 0.00 C ATOM 45 N9 A A 2 -2.931 -5.919 -0.808 1.00 0.00 N ATOM 46 C8 A A 2 -2.434 -4.975 -1.663 1.00 0.00 C ATOM 47 N7 A A 2 -1.131 -4.839 -1.602 1.00 0.00 N ATOM 48 C5 A A 2 -0.744 -5.765 -0.643 1.00 0.00 C ATOM 49 C6 A A 2 0.511 -6.119 -0.119 1.00 0.00 C ATOM 50 N6 A A 2 1.659 -5.555 -0.503 1.00 0.00 N ATOM 51 N1 A A 2 0.549 -7.084 0.825 1.00 0.00 N ATOM 52 C2 A A 2 -0.604 -7.645 1.213 1.00 0.00 C ATOM 53 N3 A A 2 -1.843 -7.400 0.794 1.00 0.00 N ATOM 54 C4 A A 2 -1.845 -6.439 -0.146 1.00 0.00 C ATOM 0 H5' A A 2 -6.103 -3.247 -2.778 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.328 -4.542 -3.669 1.00 0.00 H new ATOM 0 H4' A A 2 -7.051 -5.523 -1.588 1.00 0.00 H new ATOM 0 H3' A A 2 -4.923 -3.523 -0.706 1.00 0.00 H new ATOM 0 H2' A A 2 -4.431 -5.011 1.196 1.00 0.00 H new ATOM 0 HO2' A A 2 -5.737 -6.515 1.872 1.00 0.00 H new ATOM 0 H1' A A 2 -4.361 -7.319 -0.285 1.00 0.00 H new ATOM 0 H8 A A 2 -3.057 -4.395 -2.327 1.00 0.00 H new ATOM 0 H61 A A 2 2.540 -5.855 -0.085 1.00 0.00 H new ATOM 0 H62 A A 2 1.655 -4.824 -1.214 1.00 0.00 H new ATOM 0 H2 A A 2 -0.515 -8.405 1.975 1.00 0.00 H new ATOM 66 P G A 3 -6.534 -2.275 0.874 1.00 0.00 P ATOM 67 OP1 G A 3 -7.604 -1.341 0.440 1.00 0.00 O ATOM 68 OP2 G A 3 -5.112 -1.863 0.754 1.00 0.00 O ATOM 69 O5' G A 3 -6.819 -2.670 2.391 1.00 0.00 O ATOM 70 C5' G A 3 -6.563 -3.990 2.869 1.00 0.00 C ATOM 71 C4' G A 3 -6.001 -3.941 4.270 1.00 0.00 C ATOM 72 O4' G A 3 -4.877 -4.864 4.353 1.00 0.00 O ATOM 73 C3' G A 3 -5.443 -2.585 4.688 1.00 0.00 C ATOM 74 O3' G A 3 -6.437 -1.788 5.326 1.00 0.00 O ATOM 75 C2' G A 3 -4.299 -2.965 5.618 1.00 0.00 C ATOM 76 O2' G A 3 -4.773 -3.341 6.898 1.00 0.00 O ATOM 77 C1' G A 3 -3.758 -4.204 4.912 1.00 0.00 C ATOM 78 N9 G A 3 -2.815 -3.912 3.836 1.00 0.00 N ATOM 79 C8 G A 3 -3.113 -3.367 2.615 1.00 0.00 C ATOM 80 N7 G A 3 -2.069 -3.231 1.843 1.00 0.00 N ATOM 81 C5 G A 3 -1.015 -3.712 2.607 1.00 0.00 C ATOM 82 C6 G A 3 0.369 -3.815 2.304 1.00 0.00 C ATOM 83 O6 G A 3 0.957 -3.494 1.266 1.00 0.00 O ATOM 84 N1 G A 3 1.087 -4.357 3.365 1.00 0.00 N ATOM 85 C2 G A 3 0.544 -4.750 4.563 1.00 0.00 C ATOM 86 N2 G A 3 1.398 -5.252 5.462 1.00 0.00 N ATOM 87 N3 G A 3 -0.741 -4.659 4.859 1.00 0.00 N ATOM 88 C4 G A 3 -1.457 -4.134 3.842 1.00 0.00 C ATOM 0 H5' G A 3 -5.860 -4.494 2.206 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.484 -4.572 2.860 1.00 0.00 H new ATOM 0 H4' G A 3 -6.839 -4.185 4.923 1.00 0.00 H new ATOM 0 H3' G A 3 -5.111 -1.968 3.853 1.00 0.00 H new ATOM 0 H2' G A 3 -3.586 -2.157 5.783 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.699 -3.038 7.006 1.00 0.00 H new ATOM 0 H1' G A 3 -3.212 -4.800 5.643 1.00 0.00 H new ATOM 0 H8 G A 3 -4.111 -3.079 2.321 1.00 0.00 H new ATOM 0 H1 G A 3 2.093 -4.471 3.244 1.00 0.00 H new ATOM 0 H21 G A 3 1.057 -5.562 6.372 1.00 0.00 H new ATOM 0 H22 G A 3 2.390 -5.325 5.238 1.00 0.00 H new ATOM 100 P A A 4 -6.595 -0.236 4.932 1.00 0.00 P ATOM 101 OP1 A A 4 -7.750 0.316 5.683 1.00 0.00 O ATOM 102 OP2 A A 4 -6.570 -0.138 3.449 1.00 0.00 O ATOM 103 O5' A A 4 -5.265 0.435 5.498 1.00 0.00 O ATOM 104 C5' A A 4 -4.031 0.334 4.791 1.00 0.00 C ATOM 105 C4' A A 4 -2.904 0.070 5.760 1.00 0.00 C ATOM 106 O4' A A 4 -2.142 -1.076 5.295 1.00 0.00 O ATOM 107 C3' A A 4 -1.887 1.195 5.896 1.00 0.00 C ATOM 108 O3' A A 4 -2.293 2.131 6.891 1.00 0.00 O ATOM 109 C2' A A 4 -0.607 0.454 6.271 1.00 0.00 C ATOM 110 O2' A A 4 -0.586 0.123 7.647 1.00 0.00 O ATOM 111 C1' A A 4 -0.758 -0.836 5.465 1.00 0.00 C ATOM 112 N9 A A 4 -0.145 -0.798 4.139 1.00 0.00 N ATOM 113 C8 A A 4 -0.797 -0.705 2.937 1.00 0.00 C ATOM 114 N7 A A 4 -0.002 -0.724 1.899 1.00 0.00 N ATOM 115 C5 A A 4 1.265 -0.829 2.453 1.00 0.00 C ATOM 116 C6 A A 4 2.542 -0.902 1.876 1.00 0.00 C ATOM 117 N6 A A 4 2.755 -0.889 0.560 1.00 0.00 N ATOM 118 N1 A A 4 3.602 -0.993 2.707 1.00 0.00 N ATOM 119 C2 A A 4 3.379 -1.011 4.029 1.00 0.00 C ATOM 120 N3 A A 4 2.224 -0.958 4.690 1.00 0.00 N ATOM 121 C4 A A 4 1.193 -0.866 3.833 1.00 0.00 C ATOM 0 H5' A A 4 -3.841 1.255 4.241 1.00 0.00 H new ATOM 0 H5'' A A 4 -4.087 -0.470 4.057 1.00 0.00 H new ATOM 0 H4' A A 4 -3.396 -0.068 6.723 1.00 0.00 H new ATOM 0 H3' A A 4 -1.767 1.794 4.994 1.00 0.00 H new ATOM 0 H2' A A 4 0.296 1.033 6.076 1.00 0.00 H new ATOM 0 HO2' A A 4 -1.251 0.663 8.123 1.00 0.00 H new ATOM 0 H1' A A 4 -0.244 -1.618 6.024 1.00 0.00 H new ATOM 0 H8 A A 4 -1.871 -0.623 2.855 1.00 0.00 H new ATOM 0 H61 A A 4 3.707 -0.945 0.197 1.00 0.00 H new ATOM 0 H62 A A 4 1.966 -0.823 -0.084 1.00 0.00 H new ATOM 0 H2 A A 4 4.263 -1.078 4.646 1.00 0.00 H new ATOM 133 P G A 5 -2.007 3.700 6.682 1.00 0.00 P ATOM 134 OP1 G A 5 -2.740 4.449 7.735 1.00 0.00 O ATOM 135 OP2 G A 5 -2.250 4.019 5.251 1.00 0.00 O ATOM 136 O5' G A 5 -0.445 3.843 6.959 1.00 0.00 O ATOM 137 C5' G A 5 0.114 3.513 8.231 1.00 0.00 C ATOM 138 C4' G A 5 1.571 3.909 8.273 1.00 0.00 C ATOM 139 O4' G A 5 2.362 2.827 7.699 1.00 0.00 O ATOM 140 C3' G A 5 1.917 5.140 7.442 1.00 0.00 C ATOM 141 O3' G A 5 1.840 6.346 8.199 1.00 0.00 O ATOM 142 C2' G A 5 3.340 4.847 6.985 1.00 0.00 C ATOM 143 O2' G A 5 4.274 5.077 8.022 1.00 0.00 O ATOM 144 C1' G A 5 3.251 3.348 6.729 1.00 0.00 C ATOM 145 N9 G A 5 2.742 3.006 5.404 1.00 0.00 N ATOM 146 C8 G A 5 1.429 2.827 5.042 1.00 0.00 C ATOM 147 N7 G A 5 1.280 2.490 3.793 1.00 0.00 N ATOM 148 C5 G A 5 2.571 2.465 3.290 1.00 0.00 C ATOM 149 C6 G A 5 3.038 2.175 1.989 1.00 0.00 C ATOM 150 O6 G A 5 2.387 1.842 0.999 1.00 0.00 O ATOM 151 N1 G A 5 4.418 2.289 1.900 1.00 0.00 N ATOM 152 C2 G A 5 5.250 2.614 2.944 1.00 0.00 C ATOM 153 N2 G A 5 6.558 2.657 2.672 1.00 0.00 N ATOM 154 N3 G A 5 4.828 2.877 4.170 1.00 0.00 N ATOM 155 C4 G A 5 3.486 2.789 4.269 1.00 0.00 C ATOM 0 H5' G A 5 0.014 2.443 8.415 1.00 0.00 H new ATOM 0 H5'' G A 5 -0.434 4.025 9.022 1.00 0.00 H new ATOM 0 H4' G A 5 1.783 4.123 9.321 1.00 0.00 H new ATOM 0 H3' G A 5 1.223 5.303 6.618 1.00 0.00 H new ATOM 0 H2' G A 5 3.663 5.459 6.143 1.00 0.00 H new ATOM 0 HO2' G A 5 3.899 5.715 8.664 1.00 0.00 H new ATOM 0 H1' G A 5 4.256 2.930 6.788 1.00 0.00 H new ATOM 0 H8 G A 5 0.602 2.953 5.725 1.00 0.00 H new ATOM 0 H1 G A 5 4.847 2.119 0.991 1.00 0.00 H new ATOM 0 H21 G A 5 7.224 2.893 3.407 1.00 0.00 H new ATOM 0 H22 G A 5 6.890 2.454 1.729 1.00 0.00 H new ATOM 167 P U A 6 0.651 7.395 7.918 1.00 0.00 P ATOM 168 OP1 U A 6 0.627 8.372 9.036 1.00 0.00 O ATOM 169 OP2 U A 6 -0.569 6.611 7.606 1.00 0.00 O ATOM 170 O5' U A 6 1.089 8.175 6.595 1.00 0.00 O ATOM 171 C5' U A 6 2.055 7.639 5.690 1.00 0.00 C ATOM 172 C4' U A 6 1.680 7.984 4.271 1.00 0.00 C ATOM 173 O4' U A 6 2.065 6.902 3.393 1.00 0.00 O ATOM 174 C3' U A 6 0.192 8.139 4.010 1.00 0.00 C ATOM 175 O3' U A 6 -0.250 9.452 4.357 1.00 0.00 O ATOM 176 C2' U A 6 0.058 7.847 2.511 1.00 0.00 C ATOM 177 O2' U A 6 0.175 9.031 1.747 1.00 0.00 O ATOM 178 C1' U A 6 1.277 6.965 2.222 1.00 0.00 C ATOM 179 N1 U A 6 0.886 5.607 1.817 1.00 0.00 N ATOM 180 C2 U A 6 1.538 5.043 0.734 1.00 0.00 C ATOM 181 O2 U A 6 2.454 5.592 0.147 1.00 0.00 O ATOM 182 N3 U A 6 1.077 3.807 0.362 1.00 0.00 N ATOM 183 C4 U A 6 0.048 3.095 0.942 1.00 0.00 C ATOM 184 O4 U A 6 -0.289 2.015 0.456 1.00 0.00 O ATOM 185 C5 U A 6 -0.555 3.734 2.068 1.00 0.00 C ATOM 186 C6 U A 6 -0.124 4.933 2.467 1.00 0.00 C ATOM 0 H5' U A 6 2.113 6.557 5.807 1.00 0.00 H new ATOM 0 H5'' U A 6 3.043 8.038 5.921 1.00 0.00 H new ATOM 0 H4' U A 6 2.185 8.934 4.095 1.00 0.00 H new ATOM 0 H3' U A 6 -0.428 7.472 4.609 1.00 0.00 H new ATOM 0 H2' U A 6 -0.903 7.397 2.263 1.00 0.00 H new ATOM 0 HO2' U A 6 -0.201 8.883 0.854 1.00 0.00 H new ATOM 0 H1' U A 6 1.838 7.402 1.396 1.00 0.00 H new ATOM 0 H3 U A 6 1.546 3.366 -0.429 1.00 0.00 H new ATOM 0 H5 U A 6 -1.361 3.247 2.597 1.00 0.00 H new ATOM 0 H6 U A 6 -0.584 5.391 3.330 1.00 0.00 H new ATOM 197 P U A 7 -1.677 9.663 5.076 1.00 0.00 P ATOM 198 OP1 U A 7 -1.500 10.721 6.103 1.00 0.00 O ATOM 199 OP2 U A 7 -2.227 8.342 5.472 1.00 0.00 O ATOM 200 O5' U A 7 -2.594 10.255 3.914 1.00 0.00 O ATOM 201 C5' U A 7 -2.274 9.996 2.551 1.00 0.00 C ATOM 202 C4' U A 7 -2.725 11.130 1.667 1.00 0.00 C ATOM 203 O4' U A 7 -2.383 12.407 2.281 1.00 0.00 O ATOM 204 C3' U A 7 -2.001 11.136 0.329 1.00 0.00 C ATOM 205 O3' U A 7 -2.783 11.697 -0.718 1.00 0.00 O ATOM 206 C2' U A 7 -0.768 11.973 0.635 1.00 0.00 C ATOM 207 O2' U A 7 -0.240 12.572 -0.534 1.00 0.00 O ATOM 208 C1' U A 7 -1.390 13.056 1.505 1.00 0.00 C ATOM 209 N1 U A 7 -0.454 13.736 2.413 1.00 0.00 N ATOM 210 C2 U A 7 -0.017 15.000 2.059 1.00 0.00 C ATOM 211 O2 U A 7 -0.374 15.563 1.039 1.00 0.00 O ATOM 212 N3 U A 7 0.855 15.581 2.945 1.00 0.00 N ATOM 213 C4 U A 7 1.324 15.041 4.120 1.00 0.00 C ATOM 214 O4 U A 7 2.104 15.693 4.816 1.00 0.00 O ATOM 215 C5 U A 7 0.826 13.735 4.415 1.00 0.00 C ATOM 216 C6 U A 7 -0.025 13.138 3.576 1.00 0.00 C ATOM 0 H5' U A 7 -2.750 9.069 2.231 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.198 9.854 2.447 1.00 0.00 H new ATOM 0 H4' U A 7 -3.798 10.995 1.531 1.00 0.00 H new ATOM 0 H3' U A 7 -1.772 10.135 -0.037 1.00 0.00 H new ATOM 0 H2' U A 7 0.052 11.407 1.076 1.00 0.00 H new ATOM 0 HO2' U A 7 -0.975 12.883 -1.103 1.00 0.00 H new ATOM 0 H1' U A 7 -1.771 13.838 0.849 1.00 0.00 H new ATOM 0 H3 U A 7 1.192 16.514 2.707 1.00 0.00 H new ATOM 0 H5 U A 7 1.138 13.230 5.317 1.00 0.00 H new ATOM 0 H6 U A 7 -0.389 12.151 3.819 1.00 0.00 H new ATOM 227 P G A 8 -2.722 11.051 -2.189 1.00 0.00 P ATOM 228 OP1 G A 8 -1.910 11.947 -3.051 1.00 0.00 O ATOM 229 OP2 G A 8 -4.111 10.711 -2.587 1.00 0.00 O ATOM 230 O5' G A 8 -1.918 9.689 -1.986 1.00 0.00 O ATOM 231 C5' G A 8 -0.502 9.682 -1.789 1.00 0.00 C ATOM 232 C4' G A 8 -0.012 8.263 -1.605 1.00 0.00 C ATOM 233 O4' G A 8 -0.716 7.689 -0.467 1.00 0.00 O ATOM 234 C3' G A 8 -0.273 7.313 -2.771 1.00 0.00 C ATOM 235 O3' G A 8 0.762 6.338 -2.892 1.00 0.00 O ATOM 236 C2' G A 8 -1.613 6.681 -2.410 1.00 0.00 C ATOM 237 O2' G A 8 -1.717 5.371 -2.934 1.00 0.00 O ATOM 238 C1' G A 8 -1.502 6.593 -0.890 1.00 0.00 C ATOM 239 N9 G A 8 -2.791 6.653 -0.205 1.00 0.00 N ATOM 240 C8 G A 8 -3.533 7.775 0.072 1.00 0.00 C ATOM 241 N7 G A 8 -4.649 7.514 0.694 1.00 0.00 N ATOM 242 C5 G A 8 -4.646 6.133 0.837 1.00 0.00 C ATOM 243 C6 G A 8 -5.600 5.268 1.436 1.00 0.00 C ATOM 244 O6 G A 8 -6.673 5.558 1.979 1.00 0.00 O ATOM 245 N1 G A 8 -5.202 3.938 1.362 1.00 0.00 N ATOM 246 C2 G A 8 -4.037 3.494 0.787 1.00 0.00 C ATOM 247 N2 G A 8 -3.833 2.171 0.814 1.00 0.00 N ATOM 248 N3 G A 8 -3.139 4.288 0.228 1.00 0.00 N ATOM 249 C4 G A 8 -3.506 5.586 0.288 1.00 0.00 C ATOM 0 H5' G A 8 -0.245 10.280 -0.915 1.00 0.00 H new ATOM 0 H5'' G A 8 -0.005 10.139 -2.645 1.00 0.00 H new ATOM 0 H4' G A 8 1.068 8.350 -1.490 1.00 0.00 H new ATOM 0 H3' G A 8 -0.291 7.815 -3.738 1.00 0.00 H new ATOM 0 H2' G A 8 -2.470 7.237 -2.789 1.00 0.00 H new ATOM 0 HO2' G A 8 -0.833 5.064 -3.224 1.00 0.00 H new ATOM 0 H1' G A 8 -1.062 5.628 -0.639 1.00 0.00 H new ATOM 0 H8 G A 8 -3.223 8.774 -0.198 1.00 0.00 H new ATOM 0 H1 G A 8 -5.824 3.238 1.766 1.00 0.00 H new ATOM 0 H21 G A 8 -2.986 1.777 0.403 1.00 0.00 H new ATOM 0 H22 G A 8 -4.524 1.557 1.245 1.00 0.00 H new ATOM 261 P G A 9 1.803 6.413 -4.119 1.00 0.00 P ATOM 262 OP1 G A 9 3.166 6.472 -3.531 1.00 0.00 O ATOM 263 OP2 G A 9 1.371 7.468 -5.073 1.00 0.00 O ATOM 264 O5' G A 9 1.643 5.000 -4.838 1.00 0.00 O ATOM 265 C5' G A 9 2.274 4.734 -6.090 1.00 0.00 C ATOM 266 C4' G A 9 1.391 3.847 -6.933 1.00 0.00 C ATOM 267 O4' G A 9 0.434 4.688 -7.637 1.00 0.00 O ATOM 268 C3' G A 9 2.104 3.057 -8.025 1.00 0.00 C ATOM 269 O3' G A 9 1.421 1.833 -8.290 1.00 0.00 O ATOM 270 C2' G A 9 2.074 4.022 -9.205 1.00 0.00 C ATOM 271 O2' G A 9 2.094 3.345 -10.447 1.00 0.00 O ATOM 272 C1' G A 9 0.697 4.655 -9.026 1.00 0.00 C ATOM 273 N9 G A 9 0.601 6.015 -9.549 1.00 0.00 N ATOM 274 C8 G A 9 1.148 7.153 -9.009 1.00 0.00 C ATOM 275 N7 G A 9 0.895 8.226 -9.706 1.00 0.00 N ATOM 276 C5 G A 9 0.131 7.769 -10.771 1.00 0.00 C ATOM 277 C6 G A 9 -0.441 8.473 -11.863 1.00 0.00 C ATOM 278 O6 G A 9 -0.386 9.682 -12.117 1.00 0.00 O ATOM 279 N1 G A 9 -1.139 7.620 -12.712 1.00 0.00 N ATOM 280 C2 G A 9 -1.268 6.266 -12.536 1.00 0.00 C ATOM 281 N2 G A 9 -1.980 5.615 -13.462 1.00 0.00 N ATOM 282 N3 G A 9 -0.741 5.597 -11.525 1.00 0.00 N ATOM 283 C4 G A 9 -0.059 6.406 -10.688 1.00 0.00 C ATOM 0 H5' G A 9 3.238 4.252 -5.926 1.00 0.00 H new ATOM 0 H5'' G A 9 2.471 5.669 -6.614 1.00 0.00 H new ATOM 0 H4' G A 9 0.957 3.136 -6.229 1.00 0.00 H new ATOM 0 H3' G A 9 3.118 2.749 -7.769 1.00 0.00 H new ATOM 0 H2' G A 9 2.924 4.704 -9.218 1.00 0.00 H new ATOM 0 HO2' G A 9 2.072 3.999 -11.176 1.00 0.00 H new ATOM 0 H1' G A 9 -0.022 4.058 -9.586 1.00 0.00 H new ATOM 0 H8 G A 9 1.729 7.159 -8.099 1.00 0.00 H new ATOM 0 H1 G A 9 -1.590 8.034 -13.528 1.00 0.00 H new ATOM 0 H21 G A 9 -2.112 4.606 -13.388 1.00 0.00 H new ATOM 0 H22 G A 9 -2.391 6.127 -14.243 1.00 0.00 H new ATOM 295 P G A 10 2.131 0.689 -9.171 1.00 0.00 P ATOM 296 OP1 G A 10 1.465 0.688 -10.498 1.00 0.00 O ATOM 297 OP2 G A 10 2.166 -0.560 -8.367 1.00 0.00 O ATOM 298 O5' G A 10 3.621 1.217 -9.367 1.00 0.00 O ATOM 299 C5' G A 10 4.745 0.377 -9.112 1.00 0.00 C ATOM 300 C4' G A 10 5.879 1.187 -8.527 1.00 0.00 C ATOM 301 O4' G A 10 5.324 2.174 -7.613 1.00 0.00 O ATOM 302 C3' G A 10 6.876 0.395 -7.692 1.00 0.00 C ATOM 303 O3' G A 10 8.168 0.996 -7.708 1.00 0.00 O ATOM 304 C2' G A 10 6.239 0.411 -6.307 1.00 0.00 C ATOM 305 O2' G A 10 7.211 0.335 -5.283 1.00 0.00 O ATOM 306 C1' G A 10 5.611 1.804 -6.278 1.00 0.00 C ATOM 307 N9 G A 10 4.373 1.850 -5.508 1.00 0.00 N ATOM 308 C8 G A 10 3.229 1.130 -5.745 1.00 0.00 C ATOM 309 N7 G A 10 2.296 1.339 -4.858 1.00 0.00 N ATOM 310 C5 G A 10 2.855 2.266 -3.989 1.00 0.00 C ATOM 311 C6 G A 10 2.318 2.874 -2.830 1.00 0.00 C ATOM 312 O6 G A 10 1.202 2.716 -2.327 1.00 0.00 O ATOM 313 N1 G A 10 3.227 3.748 -2.243 1.00 0.00 N ATOM 314 C2 G A 10 4.482 4.019 -2.724 1.00 0.00 C ATOM 315 N2 G A 10 5.200 4.901 -2.024 1.00 0.00 N ATOM 316 N3 G A 10 4.992 3.467 -3.810 1.00 0.00 N ATOM 317 C4 G A 10 4.133 2.601 -4.385 1.00 0.00 C ATOM 0 H5' G A 10 5.069 -0.101 -10.037 1.00 0.00 H new ATOM 0 H5'' G A 10 4.464 -0.420 -8.423 1.00 0.00 H new ATOM 0 H4' G A 10 6.401 1.600 -9.390 1.00 0.00 H new ATOM 0 H3' G A 10 7.052 -0.615 -8.062 1.00 0.00 H new ATOM 0 H2' G A 10 5.556 -0.423 -6.144 1.00 0.00 H new ATOM 0 HO2' G A 10 6.864 0.760 -4.471 1.00 0.00 H new ATOM 0 H1' G A 10 6.316 2.484 -5.800 1.00 0.00 H new ATOM 0 H8 G A 10 3.113 0.458 -6.582 1.00 0.00 H new ATOM 0 H1 G A 10 2.938 4.224 -1.389 1.00 0.00 H new ATOM 0 H21 G A 10 6.142 5.147 -2.328 1.00 0.00 H new ATOM 0 H22 G A 10 4.806 5.328 -1.186 1.00 0.00 H new ATOM 329 P C A 11 9.461 0.125 -7.310 1.00 0.00 P ATOM 330 OP1 C A 11 10.601 0.633 -8.117 1.00 0.00 O ATOM 331 OP2 C A 11 9.105 -1.316 -7.369 1.00 0.00 O ATOM 332 O5' C A 11 9.722 0.497 -5.783 1.00 0.00 O ATOM 333 C5' C A 11 10.240 1.772 -5.415 1.00 0.00 C ATOM 334 C4' C A 11 10.334 1.889 -3.910 1.00 0.00 C ATOM 335 O4' C A 11 9.160 2.565 -3.400 1.00 0.00 O ATOM 336 C3' C A 11 10.333 0.589 -3.121 1.00 0.00 C ATOM 337 O3' C A 11 11.605 -0.053 -3.134 1.00 0.00 O ATOM 338 C2' C A 11 9.938 1.061 -1.724 1.00 0.00 C ATOM 339 O2' C A 11 11.046 1.596 -1.024 1.00 0.00 O ATOM 340 C1' C A 11 8.974 2.207 -2.043 1.00 0.00 C ATOM 341 N1 C A 11 7.562 1.856 -1.830 1.00 0.00 N ATOM 342 C2 C A 11 6.993 2.111 -0.580 1.00 0.00 C ATOM 343 O2 C A 11 7.693 2.629 0.302 1.00 0.00 O ATOM 344 N3 C A 11 5.698 1.788 -0.365 1.00 0.00 N ATOM 345 C4 C A 11 4.980 1.233 -1.342 1.00 0.00 C ATOM 346 N4 C A 11 3.711 0.928 -1.091 1.00 0.00 N ATOM 347 C5 C A 11 5.532 0.966 -2.624 1.00 0.00 C ATOM 348 C6 C A 11 6.816 1.289 -2.823 1.00 0.00 C ATOM 0 H5' C A 11 9.597 2.560 -5.808 1.00 0.00 H new ATOM 0 H5'' C A 11 11.225 1.913 -5.859 1.00 0.00 H new ATOM 0 H4' C A 11 11.289 2.397 -3.775 1.00 0.00 H new ATOM 0 H3' C A 11 9.662 -0.166 -3.531 1.00 0.00 H new ATOM 0 H2' C A 11 9.534 0.259 -1.107 1.00 0.00 H new ATOM 0 HO2' C A 11 10.760 1.890 -0.134 1.00 0.00 H new ATOM 0 H1' C A 11 9.197 3.030 -1.364 1.00 0.00 H new ATOM 0 H41 C A 11 3.135 0.502 -1.818 1.00 0.00 H new ATOM 0 H42 C A 11 3.313 1.120 -0.172 1.00 0.00 H new ATOM 0 H5 C A 11 4.938 0.520 -3.408 1.00 0.00 H new ATOM 0 H6 C A 11 7.269 1.098 -3.785 1.00 0.00 H new ATOM 360 P U A 12 11.748 -1.552 -2.568 1.00 0.00 P ATOM 361 OP1 U A 12 13.188 -1.910 -2.614 1.00 0.00 O ATOM 362 OP2 U A 12 10.756 -2.412 -3.262 1.00 0.00 O ATOM 363 O5' U A 12 11.309 -1.435 -1.039 1.00 0.00 O ATOM 364 C5' U A 12 12.220 -0.969 -0.046 1.00 0.00 C ATOM 365 C4' U A 12 11.764 -1.405 1.328 1.00 0.00 C ATOM 366 O4' U A 12 10.665 -0.555 1.763 1.00 0.00 O ATOM 367 C3' U A 12 11.195 -2.813 1.420 1.00 0.00 C ATOM 368 O3' U A 12 12.213 -3.802 1.532 1.00 0.00 O ATOM 369 C2' U A 12 10.327 -2.719 2.666 1.00 0.00 C ATOM 370 O2' U A 12 11.109 -2.714 3.847 1.00 0.00 O ATOM 371 C1' U A 12 9.718 -1.331 2.481 1.00 0.00 C ATOM 372 N1 U A 12 8.458 -1.350 1.726 1.00 0.00 N ATOM 373 C2 U A 12 7.274 -1.279 2.437 1.00 0.00 C ATOM 374 O2 U A 12 7.235 -1.191 3.652 1.00 0.00 O ATOM 375 N3 U A 12 6.136 -1.317 1.673 1.00 0.00 N ATOM 376 C4 U A 12 6.064 -1.417 0.300 1.00 0.00 C ATOM 377 O4 U A 12 4.965 -1.484 -0.245 1.00 0.00 O ATOM 378 C5 U A 12 7.330 -1.475 -0.360 1.00 0.00 C ATOM 379 C6 U A 12 8.457 -1.441 0.353 1.00 0.00 C ATOM 0 H5' U A 12 12.288 0.118 -0.086 1.00 0.00 H new ATOM 0 H5'' U A 12 13.218 -1.359 -0.246 1.00 0.00 H new ATOM 0 H4' U A 12 12.671 -1.347 1.930 1.00 0.00 H new ATOM 0 H3' U A 12 10.645 -3.123 0.532 1.00 0.00 H new ATOM 0 H2' U A 12 9.624 -3.545 2.769 1.00 0.00 H new ATOM 0 HO2' U A 12 10.521 -2.651 4.628 1.00 0.00 H new ATOM 0 H1' U A 12 9.490 -0.920 3.465 1.00 0.00 H new ATOM 0 H3 U A 12 5.249 -1.266 2.174 1.00 0.00 H new ATOM 0 H5 U A 12 7.375 -1.546 -1.437 1.00 0.00 H new ATOM 0 H6 U A 12 9.403 -1.487 -0.166 1.00 0.00 H new ATOM 390 P C A 13 11.849 -5.347 1.281 1.00 0.00 P ATOM 391 OP1 C A 13 13.042 -6.154 1.646 1.00 0.00 O ATOM 392 OP2 C A 13 11.263 -5.479 -0.077 1.00 0.00 O ATOM 393 O5' C A 13 10.699 -5.652 2.343 1.00 0.00 O ATOM 394 C5' C A 13 10.968 -5.630 3.743 1.00 0.00 C ATOM 395 C4' C A 13 9.779 -6.161 4.514 1.00 0.00 C ATOM 396 O4' C A 13 8.730 -5.161 4.564 1.00 0.00 O ATOM 397 C3' C A 13 9.067 -7.355 3.905 1.00 0.00 C ATOM 398 O3' C A 13 9.771 -8.570 4.144 1.00 0.00 O ATOM 399 C2' C A 13 7.712 -7.317 4.607 1.00 0.00 C ATOM 400 O2' C A 13 7.789 -7.886 5.899 1.00 0.00 O ATOM 401 C1' C A 13 7.483 -5.809 4.754 1.00 0.00 C ATOM 402 N1 C A 13 6.516 -5.271 3.784 1.00 0.00 N ATOM 403 C2 C A 13 5.177 -5.139 4.169 1.00 0.00 C ATOM 404 O2 C A 13 4.845 -5.473 5.316 1.00 0.00 O ATOM 405 N3 C A 13 4.278 -4.653 3.283 1.00 0.00 N ATOM 406 C4 C A 13 4.673 -4.302 2.058 1.00 0.00 C ATOM 407 N4 C A 13 3.752 -3.820 1.223 1.00 0.00 N ATOM 408 C5 C A 13 6.031 -4.426 1.637 1.00 0.00 C ATOM 409 C6 C A 13 6.910 -4.909 2.526 1.00 0.00 C ATOM 0 H5' C A 13 11.191 -4.612 4.061 1.00 0.00 H new ATOM 0 H5'' C A 13 11.850 -6.233 3.960 1.00 0.00 H new ATOM 0 H4' C A 13 10.223 -6.438 5.470 1.00 0.00 H new ATOM 0 H3' C A 13 8.987 -7.311 2.819 1.00 0.00 H new ATOM 0 H2' C A 13 6.936 -7.862 4.069 1.00 0.00 H new ATOM 0 HO2' C A 13 6.908 -7.847 6.326 1.00 0.00 H new ATOM 0 H1' C A 13 7.068 -5.629 5.746 1.00 0.00 H new ATOM 0 H41 C A 13 4.016 -3.541 0.278 1.00 0.00 H new ATOM 0 H42 C A 13 2.783 -3.730 1.529 1.00 0.00 H new ATOM 0 H5 C A 13 6.338 -4.142 0.641 1.00 0.00 H new ATOM 0 H6 C A 13 7.947 -5.014 2.244 1.00 0.00 H new ATOM 421 P U A 14 9.454 -9.864 3.243 1.00 0.00 P ATOM 422 OP1 U A 14 10.315 -10.979 3.713 1.00 0.00 O ATOM 423 OP2 U A 14 9.510 -9.444 1.820 1.00 0.00 O ATOM 424 O5' U A 14 7.940 -10.214 3.596 1.00 0.00 O ATOM 425 C5' U A 14 7.582 -10.702 4.887 1.00 0.00 C ATOM 426 C4' U A 14 6.186 -11.277 4.858 1.00 0.00 C ATOM 427 O4' U A 14 5.219 -10.191 4.881 1.00 0.00 O ATOM 428 C3' U A 14 5.831 -12.066 3.607 1.00 0.00 C ATOM 429 O3' U A 14 6.286 -13.414 3.693 1.00 0.00 O ATOM 430 C2' U A 14 4.313 -11.953 3.574 1.00 0.00 C ATOM 431 O2' U A 14 3.713 -12.827 4.510 1.00 0.00 O ATOM 432 C1' U A 14 4.116 -10.516 4.052 1.00 0.00 C ATOM 433 N1 U A 14 4.049 -9.530 2.962 1.00 0.00 N ATOM 434 C2 U A 14 2.805 -9.233 2.434 1.00 0.00 C ATOM 435 O2 U A 14 1.776 -9.756 2.824 1.00 0.00 O ATOM 436 N3 U A 14 2.811 -8.300 1.429 1.00 0.00 N ATOM 437 C4 U A 14 3.909 -7.646 0.911 1.00 0.00 C ATOM 438 O4 U A 14 3.754 -6.816 0.015 1.00 0.00 O ATOM 439 C5 U A 14 5.154 -8.012 1.505 1.00 0.00 C ATOM 440 C6 U A 14 5.188 -8.920 2.484 1.00 0.00 C ATOM 0 H5' U A 14 7.635 -9.894 5.617 1.00 0.00 H new ATOM 0 H5'' U A 14 8.291 -11.466 5.205 1.00 0.00 H new ATOM 0 H4' U A 14 6.157 -11.943 5.720 1.00 0.00 H new ATOM 0 H3' U A 14 6.301 -11.693 2.697 1.00 0.00 H new ATOM 0 H2' U A 14 3.881 -12.195 2.603 1.00 0.00 H new ATOM 0 HO2' U A 14 3.234 -13.537 4.034 1.00 0.00 H new ATOM 0 H1' U A 14 3.160 -10.470 4.573 1.00 0.00 H new ATOM 0 H3 U A 14 1.906 -8.065 1.021 1.00 0.00 H new ATOM 0 H5 U A 14 6.070 -7.554 1.162 1.00 0.00 H new ATOM 0 H6 U A 14 6.142 -9.185 2.916 1.00 0.00 H new ATOM 451 P C A 15 6.797 -14.172 2.370 1.00 0.00 P ATOM 452 OP1 C A 15 7.648 -15.306 2.809 1.00 0.00 O ATOM 453 OP2 C A 15 7.345 -13.167 1.422 1.00 0.00 O ATOM 454 O5' C A 15 5.465 -14.773 1.735 1.00 0.00 O ATOM 455 C5' C A 15 4.615 -15.631 2.493 1.00 0.00 C ATOM 456 C4' C A 15 3.234 -15.655 1.888 1.00 0.00 C ATOM 457 O4' C A 15 2.646 -14.337 2.019 1.00 0.00 O ATOM 458 C3' C A 15 3.183 -15.948 0.396 1.00 0.00 C ATOM 459 O3' C A 15 3.180 -17.351 0.121 1.00 0.00 O ATOM 460 C2' C A 15 1.882 -15.278 -0.037 1.00 0.00 C ATOM 461 O2' C A 15 0.767 -16.108 0.226 1.00 0.00 O ATOM 462 C1' C A 15 1.823 -14.070 0.901 1.00 0.00 C ATOM 463 N1 C A 15 2.272 -12.812 0.280 1.00 0.00 N ATOM 464 C2 C A 15 1.317 -11.976 -0.293 1.00 0.00 C ATOM 465 O2 C A 15 0.128 -12.318 -0.257 1.00 0.00 O ATOM 466 N3 C A 15 1.709 -10.818 -0.870 1.00 0.00 N ATOM 467 C4 C A 15 2.999 -10.482 -0.878 1.00 0.00 C ATOM 468 N4 C A 15 3.339 -9.329 -1.456 1.00 0.00 N ATOM 469 C5 C A 15 3.998 -11.315 -0.295 1.00 0.00 C ATOM 470 C6 C A 15 3.595 -12.463 0.264 1.00 0.00 C ATOM 0 H5' C A 15 4.563 -15.285 3.525 1.00 0.00 H new ATOM 0 H5'' C A 15 5.029 -16.639 2.515 1.00 0.00 H new ATOM 0 H4' C A 15 2.715 -16.452 2.420 1.00 0.00 H new ATOM 0 H3' C A 15 4.056 -15.576 -0.141 1.00 0.00 H new ATOM 0 H2' C A 15 1.857 -15.045 -1.102 1.00 0.00 H new ATOM 0 HO2' C A 15 1.072 -17.027 0.377 1.00 0.00 H new ATOM 0 HO3' C A 15 3.145 -17.494 -0.848 1.00 0.00 H new ATOM 0 H1' C A 15 0.778 -13.930 1.176 1.00 0.00 H new ATOM 0 H41 C A 15 4.317 -9.040 -1.481 1.00 0.00 H new ATOM 0 H42 C A 15 2.621 -8.737 -1.873 1.00 0.00 H new ATOM 0 H5 C A 15 5.040 -11.031 -0.304 1.00 0.00 H new ATOM 0 H6 C A 15 4.325 -13.123 0.709 1.00 0.00 H new TER 483 C A 15