USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= 0 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= 0 USER MOD Single : A 3 G O2' : rot -16:sc= 0.0108 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -14:sc= 0.0637 USER MOD Single : A 6 C O2' : rot -17:sc= 0.0594 USER MOD Single : A 7 A O2' : rot -14:sc= 0.118 USER MOD Single : A 8 U O2' : rot 18:sc= 0.0598 USER MOD Single : A 9 A O2' : rot 115:sc= 1.21 USER MOD Single : A 10 G O2' : rot -10:sc= 0.0656 USER MOD Single : A 11 A O2' : rot 12:sc= 0.154 USER MOD Single : A 12 U O2' : rot -112:sc= 0.283 USER MOD Single : A 13 C O2' : rot 180:sc= 0 USER MOD Single : A 14 U O2' : rot 180:sc= 0 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -20:sc= 0.0146 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0235 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -12.558 -4.815 10.236 1.00 0.00 O ATOM 2 C5' G A 1 -11.297 -4.230 9.987 1.00 0.00 C ATOM 3 C4' G A 1 -10.188 -4.969 10.754 1.00 0.00 C ATOM 4 O4' G A 1 -10.046 -6.316 10.316 1.00 0.00 O ATOM 5 C3' G A 1 -8.811 -4.323 10.557 1.00 0.00 C ATOM 6 O3' G A 1 -8.613 -3.182 11.385 1.00 0.00 O ATOM 7 C2' G A 1 -7.891 -5.508 10.870 1.00 0.00 C ATOM 8 O2' G A 1 -7.743 -5.766 12.258 1.00 0.00 O ATOM 9 C1' G A 1 -8.664 -6.652 10.208 1.00 0.00 C ATOM 10 N9 G A 1 -8.266 -6.841 8.784 1.00 0.00 N ATOM 11 C8 G A 1 -8.927 -6.464 7.638 1.00 0.00 C ATOM 12 N7 G A 1 -8.319 -6.787 6.531 1.00 0.00 N ATOM 13 C5 G A 1 -7.164 -7.433 6.957 1.00 0.00 C ATOM 14 C6 G A 1 -6.094 -8.017 6.190 1.00 0.00 C ATOM 15 O6 G A 1 -5.984 -8.060 4.967 1.00 0.00 O ATOM 16 N1 G A 1 -5.087 -8.584 6.990 1.00 0.00 N ATOM 17 C2 G A 1 -5.118 -8.582 8.385 1.00 0.00 C ATOM 18 N2 G A 1 -4.085 -9.155 9.015 1.00 0.00 N ATOM 19 N3 G A 1 -6.127 -8.031 9.103 1.00 0.00 N ATOM 20 C4 G A 1 -7.123 -7.472 8.340 1.00 0.00 C ATOM 0 H5' G A 1 -11.313 -3.181 10.284 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.085 -4.255 8.918 1.00 0.00 H new ATOM 0 H4' G A 1 -10.497 -4.919 11.798 1.00 0.00 H new ATOM 0 H3' G A 1 -8.640 -3.898 9.568 1.00 0.00 H new ATOM 0 H2' G A 1 -6.870 -5.349 10.522 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.147 -6.533 12.386 1.00 0.00 H new ATOM 0 HO5' G A 1 -13.248 -4.328 9.739 1.00 0.00 H new ATOM 0 H1' G A 1 -8.446 -7.599 10.703 1.00 0.00 H new ATOM 0 H8 G A 1 -9.873 -5.943 7.654 1.00 0.00 H new ATOM 0 H1 G A 1 -4.291 -9.021 6.526 1.00 0.00 H new ATOM 0 H21 G A 1 -4.060 -9.180 10.034 1.00 0.00 H new ATOM 0 H22 G A 1 -3.323 -9.567 8.476 1.00 0.00 H new ATOM 33 P A A 2 -7.536 -2.021 11.025 1.00 0.00 P ATOM 34 OP1 A A 2 -7.593 -0.999 12.095 1.00 0.00 O ATOM 35 OP2 A A 2 -7.746 -1.608 9.618 1.00 0.00 O ATOM 36 O5' A A 2 -6.105 -2.776 11.105 1.00 0.00 O ATOM 37 C5' A A 2 -5.525 -3.184 12.335 1.00 0.00 C ATOM 38 C4' A A 2 -4.251 -4.012 12.109 1.00 0.00 C ATOM 39 O4' A A 2 -4.492 -5.194 11.352 1.00 0.00 O ATOM 40 C3' A A 2 -3.155 -3.264 11.343 1.00 0.00 C ATOM 41 O3' A A 2 -2.492 -2.300 12.153 1.00 0.00 O ATOM 42 C2' A A 2 -2.289 -4.438 10.878 1.00 0.00 C ATOM 43 O2' A A 2 -1.439 -4.955 11.889 1.00 0.00 O ATOM 44 C1' A A 2 -3.369 -5.469 10.516 1.00 0.00 C ATOM 45 N9 A A 2 -3.738 -5.393 9.072 1.00 0.00 N ATOM 46 C8 A A 2 -4.869 -4.870 8.484 1.00 0.00 C ATOM 47 N7 A A 2 -4.893 -4.957 7.184 1.00 0.00 N ATOM 48 C5 A A 2 -3.697 -5.590 6.867 1.00 0.00 C ATOM 49 C6 A A 2 -3.099 -5.998 5.636 1.00 0.00 C ATOM 50 N6 A A 2 -3.675 -5.800 4.441 1.00 0.00 N ATOM 51 N1 A A 2 -1.887 -6.610 5.670 1.00 0.00 N ATOM 52 C2 A A 2 -1.297 -6.812 6.858 1.00 0.00 C ATOM 53 N3 A A 2 -1.756 -6.484 8.076 1.00 0.00 N ATOM 54 C4 A A 2 -2.982 -5.865 8.020 1.00 0.00 C ATOM 0 H5' A A 2 -6.247 -3.772 12.902 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.288 -2.306 12.936 1.00 0.00 H new ATOM 0 H4' A A 2 -3.926 -4.238 13.124 1.00 0.00 H new ATOM 0 H3' A A 2 -3.496 -2.641 10.517 1.00 0.00 H new ATOM 0 H2' A A 2 -1.603 -4.162 10.077 1.00 0.00 H new ATOM 0 HO2' A A 2 -0.916 -5.701 11.527 1.00 0.00 H new ATOM 0 H1' A A 2 -3.002 -6.482 10.678 1.00 0.00 H new ATOM 0 H8 A A 2 -5.671 -4.424 9.054 1.00 0.00 H new ATOM 0 H61 A A 2 -3.205 -6.111 3.591 1.00 0.00 H new ATOM 0 H62 A A 2 -4.583 -5.339 4.383 1.00 0.00 H new ATOM 0 H2 A A 2 -0.333 -7.299 6.831 1.00 0.00 H new ATOM 66 P G A 3 -1.748 -1.001 11.527 1.00 0.00 P ATOM 67 OP1 G A 3 -1.259 -0.169 12.649 1.00 0.00 O ATOM 68 OP2 G A 3 -2.632 -0.393 10.506 1.00 0.00 O ATOM 69 O5' G A 3 -0.473 -1.637 10.759 1.00 0.00 O ATOM 70 C5' G A 3 0.622 -2.210 11.457 1.00 0.00 C ATOM 71 C4' G A 3 1.635 -2.840 10.491 1.00 0.00 C ATOM 72 O4' G A 3 1.065 -3.893 9.725 1.00 0.00 O ATOM 73 C3' G A 3 2.203 -1.858 9.460 1.00 0.00 C ATOM 74 O3' G A 3 3.153 -0.966 10.033 1.00 0.00 O ATOM 75 C2' G A 3 2.763 -2.842 8.430 1.00 0.00 C ATOM 76 O2' G A 3 4.021 -3.390 8.794 1.00 0.00 O ATOM 77 C1' G A 3 1.681 -3.932 8.439 1.00 0.00 C ATOM 78 N9 G A 3 0.673 -3.738 7.357 1.00 0.00 N ATOM 79 C8 G A 3 -0.637 -3.326 7.446 1.00 0.00 C ATOM 80 N7 G A 3 -1.267 -3.272 6.306 1.00 0.00 N ATOM 81 C5 G A 3 -0.319 -3.684 5.376 1.00 0.00 C ATOM 82 C6 G A 3 -0.427 -3.832 3.946 1.00 0.00 C ATOM 83 O6 G A 3 -1.410 -3.623 3.240 1.00 0.00 O ATOM 84 N1 G A 3 0.767 -4.266 3.345 1.00 0.00 N ATOM 85 C2 G A 3 1.935 -4.535 4.059 1.00 0.00 C ATOM 86 N2 G A 3 2.994 -4.945 3.348 1.00 0.00 N ATOM 87 N3 G A 3 2.029 -4.403 5.404 1.00 0.00 N ATOM 88 C4 G A 3 0.875 -3.974 6.012 1.00 0.00 C ATOM 0 H5' G A 3 0.257 -2.969 12.149 1.00 0.00 H new ATOM 0 H5'' G A 3 1.115 -1.444 12.055 1.00 0.00 H new ATOM 0 H4' G A 3 2.423 -3.194 11.156 1.00 0.00 H new ATOM 0 H3' G A 3 1.492 -1.153 9.029 1.00 0.00 H new ATOM 0 H2' G A 3 2.953 -2.374 7.464 1.00 0.00 H new ATOM 0 HO2' G A 3 4.416 -2.853 9.512 1.00 0.00 H new ATOM 0 H1' G A 3 2.133 -4.905 8.248 1.00 0.00 H new ATOM 0 H8 G A 3 -1.105 -3.068 8.384 1.00 0.00 H new ATOM 0 H1 G A 3 0.780 -4.391 2.333 1.00 0.00 H new ATOM 0 H21 G A 3 3.874 -5.156 3.819 1.00 0.00 H new ATOM 0 H22 G A 3 2.920 -5.046 2.336 1.00 0.00 H new ATOM 100 P G A 4 3.428 0.519 9.436 1.00 0.00 P ATOM 101 OP1 G A 4 4.417 1.187 10.312 1.00 0.00 O ATOM 102 OP2 G A 4 2.125 1.175 9.182 1.00 0.00 O ATOM 103 O5' G A 4 4.120 0.224 8.002 1.00 0.00 O ATOM 104 C5' G A 4 5.438 -0.290 7.887 1.00 0.00 C ATOM 105 C4' G A 4 5.745 -0.717 6.444 1.00 0.00 C ATOM 106 O4' G A 4 4.845 -1.725 6.003 1.00 0.00 O ATOM 107 C3' G A 4 5.637 0.410 5.410 1.00 0.00 C ATOM 108 O3' G A 4 6.762 1.283 5.419 1.00 0.00 O ATOM 109 C2' G A 4 5.470 -0.409 4.128 1.00 0.00 C ATOM 110 O2' G A 4 6.686 -0.936 3.623 1.00 0.00 O ATOM 111 C1' G A 4 4.572 -1.553 4.617 1.00 0.00 C ATOM 112 N9 G A 4 3.134 -1.258 4.368 1.00 0.00 N ATOM 113 C8 G A 4 2.133 -0.914 5.249 1.00 0.00 C ATOM 114 N7 G A 4 0.968 -0.726 4.695 1.00 0.00 N ATOM 115 C5 G A 4 1.193 -0.964 3.344 1.00 0.00 C ATOM 116 C6 G A 4 0.283 -0.918 2.227 1.00 0.00 C ATOM 117 O6 G A 4 -0.915 -0.645 2.244 1.00 0.00 O ATOM 118 N1 G A 4 0.899 -1.225 1.002 1.00 0.00 N ATOM 119 C2 G A 4 2.253 -1.540 0.878 1.00 0.00 C ATOM 120 N2 G A 4 2.708 -1.800 -0.354 1.00 0.00 N ATOM 121 N3 G A 4 3.100 -1.589 1.930 1.00 0.00 N ATOM 122 C4 G A 4 2.519 -1.292 3.137 1.00 0.00 C ATOM 0 H5' G A 4 5.558 -1.143 8.555 1.00 0.00 H new ATOM 0 H5'' G A 4 6.155 0.467 8.205 1.00 0.00 H new ATOM 0 H4' G A 4 6.777 -1.064 6.495 1.00 0.00 H new ATOM 0 H3' G A 4 4.826 1.119 5.579 1.00 0.00 H new ATOM 0 H2' G A 4 5.078 0.189 3.305 1.00 0.00 H new ATOM 0 HO2' G A 4 6.507 -1.448 2.807 1.00 0.00 H new ATOM 0 H1' G A 4 4.783 -2.473 4.071 1.00 0.00 H new ATOM 0 H8 G A 4 2.299 -0.809 6.311 1.00 0.00 H new ATOM 0 H1 G A 4 0.326 -1.217 0.158 1.00 0.00 H new ATOM 0 H21 G A 4 3.690 -2.035 -0.496 1.00 0.00 H new ATOM 0 H22 G A 4 2.072 -1.763 -1.151 1.00 0.00 H new ATOM 134 P A A 5 6.685 2.814 4.880 1.00 0.00 P ATOM 135 OP1 A A 5 8.015 3.434 5.080 1.00 0.00 O ATOM 136 OP2 A A 5 5.490 3.456 5.479 1.00 0.00 O ATOM 137 O5' A A 5 6.420 2.668 3.288 1.00 0.00 O ATOM 138 C5' A A 5 7.400 2.155 2.395 1.00 0.00 C ATOM 139 C4' A A 5 6.806 1.892 1.000 1.00 0.00 C ATOM 140 O4' A A 5 5.642 1.086 1.080 1.00 0.00 O ATOM 141 C3' A A 5 6.380 3.167 0.266 1.00 0.00 C ATOM 142 O3' A A 5 7.504 3.804 -0.339 1.00 0.00 O ATOM 143 C2' A A 5 5.348 2.616 -0.724 1.00 0.00 C ATOM 144 O2' A A 5 5.912 2.179 -1.949 1.00 0.00 O ATOM 145 C1' A A 5 4.746 1.417 0.027 1.00 0.00 C ATOM 146 N9 A A 5 3.381 1.697 0.557 1.00 0.00 N ATOM 147 C8 A A 5 2.953 1.793 1.863 1.00 0.00 C ATOM 148 N7 A A 5 1.677 2.017 2.000 1.00 0.00 N ATOM 149 C5 A A 5 1.200 2.068 0.695 1.00 0.00 C ATOM 150 C6 A A 5 -0.096 2.272 0.130 1.00 0.00 C ATOM 151 N6 A A 5 -1.199 2.471 0.867 1.00 0.00 N ATOM 152 N1 A A 5 -0.224 2.280 -1.224 1.00 0.00 N ATOM 153 C2 A A 5 0.868 2.085 -1.977 1.00 0.00 C ATOM 154 N3 A A 5 2.128 1.870 -1.569 1.00 0.00 N ATOM 155 C4 A A 5 2.239 1.875 -0.199 1.00 0.00 C ATOM 0 H5' A A 5 7.812 1.229 2.797 1.00 0.00 H new ATOM 0 H5'' A A 5 8.226 2.862 2.313 1.00 0.00 H new ATOM 0 H4' A A 5 7.611 1.401 0.454 1.00 0.00 H new ATOM 0 H3' A A 5 5.964 3.957 0.892 1.00 0.00 H new ATOM 0 H2' A A 5 4.630 3.385 -1.009 1.00 0.00 H new ATOM 0 HO2' A A 5 6.830 2.513 -2.024 1.00 0.00 H new ATOM 0 H1' A A 5 4.625 0.582 -0.663 1.00 0.00 H new ATOM 0 H8 A A 5 3.621 1.691 2.705 1.00 0.00 H new ATOM 0 H61 A A 5 -2.100 2.611 0.409 1.00 0.00 H new ATOM 0 H62 A A 5 -1.137 2.482 1.885 1.00 0.00 H new ATOM 0 H2 A A 5 0.714 2.103 -3.046 1.00 0.00 H new ATOM 167 P C A 6 7.647 5.413 -0.462 1.00 0.00 P ATOM 168 OP1 C A 6 8.901 5.702 -1.194 1.00 0.00 O ATOM 169 OP2 C A 6 7.451 5.990 0.887 1.00 0.00 O ATOM 170 O5' C A 6 6.389 5.841 -1.397 1.00 0.00 O ATOM 171 C5' C A 6 6.382 5.612 -2.802 1.00 0.00 C ATOM 172 C4' C A 6 4.984 5.781 -3.418 1.00 0.00 C ATOM 173 O4' C A 6 4.057 4.907 -2.800 1.00 0.00 O ATOM 174 C3' C A 6 4.364 7.172 -3.255 1.00 0.00 C ATOM 175 O3' C A 6 4.899 8.132 -4.162 1.00 0.00 O ATOM 176 C2' C A 6 2.881 6.861 -3.487 1.00 0.00 C ATOM 177 O2' C A 6 2.500 6.886 -4.853 1.00 0.00 O ATOM 178 C1' C A 6 2.742 5.432 -2.932 1.00 0.00 C ATOM 179 N1 C A 6 1.969 5.435 -1.645 1.00 0.00 N ATOM 180 C2 C A 6 0.558 5.514 -1.713 1.00 0.00 C ATOM 181 O2 C A 6 -0.037 5.567 -2.790 1.00 0.00 O ATOM 182 N3 C A 6 -0.160 5.526 -0.543 1.00 0.00 N ATOM 183 C4 C A 6 0.447 5.463 0.660 1.00 0.00 C ATOM 184 N4 C A 6 -0.307 5.464 1.767 1.00 0.00 N ATOM 185 C5 C A 6 1.889 5.382 0.755 1.00 0.00 C ATOM 186 C6 C A 6 2.598 5.376 -0.407 1.00 0.00 C ATOM 0 H5' C A 6 6.746 4.605 -3.005 1.00 0.00 H new ATOM 0 H5'' C A 6 7.074 6.303 -3.283 1.00 0.00 H new ATOM 0 H4' C A 6 5.152 5.578 -4.476 1.00 0.00 H new ATOM 0 H3' C A 6 4.565 7.643 -2.293 1.00 0.00 H new ATOM 0 H2' C A 6 2.241 7.605 -3.013 1.00 0.00 H new ATOM 0 HO2' C A 6 3.185 7.353 -5.375 1.00 0.00 H new ATOM 0 H1' C A 6 2.171 4.792 -3.605 1.00 0.00 H new ATOM 0 H41 C A 6 0.135 5.417 2.685 1.00 0.00 H new ATOM 0 H42 C A 6 -1.323 5.512 1.692 1.00 0.00 H new ATOM 0 H5 C A 6 2.385 5.328 1.713 1.00 0.00 H new ATOM 0 H6 C A 6 3.676 5.324 -0.366 1.00 0.00 H new ATOM 198 P A A 7 5.358 9.620 -3.701 1.00 0.00 P ATOM 199 OP1 A A 7 5.427 10.468 -4.912 1.00 0.00 O ATOM 200 OP2 A A 7 6.557 9.476 -2.847 1.00 0.00 O ATOM 201 O5' A A 7 4.155 10.171 -2.763 1.00 0.00 O ATOM 202 C5' A A 7 2.840 10.407 -3.242 1.00 0.00 C ATOM 203 C4' A A 7 1.842 10.585 -2.080 1.00 0.00 C ATOM 204 O4' A A 7 1.919 9.479 -1.185 1.00 0.00 O ATOM 205 C3' A A 7 2.080 11.862 -1.259 1.00 0.00 C ATOM 206 O3' A A 7 0.825 12.445 -0.921 1.00 0.00 O ATOM 207 C2' A A 7 2.833 11.322 -0.040 1.00 0.00 C ATOM 208 O2' A A 7 2.715 12.108 1.131 1.00 0.00 O ATOM 209 C1' A A 7 2.236 9.924 0.127 1.00 0.00 C ATOM 210 N9 A A 7 3.208 8.985 0.752 1.00 0.00 N ATOM 211 C8 A A 7 4.433 8.596 0.264 1.00 0.00 C ATOM 212 N7 A A 7 5.076 7.753 1.014 1.00 0.00 N ATOM 213 C5 A A 7 4.231 7.552 2.096 1.00 0.00 C ATOM 214 C6 A A 7 4.327 6.749 3.271 1.00 0.00 C ATOM 215 N6 A A 7 5.387 5.972 3.539 1.00 0.00 N ATOM 216 N1 A A 7 3.299 6.767 4.161 1.00 0.00 N ATOM 217 C2 A A 7 2.236 7.543 3.898 1.00 0.00 C ATOM 218 N3 A A 7 2.034 8.341 2.837 1.00 0.00 N ATOM 219 C4 A A 7 3.079 8.306 1.948 1.00 0.00 C ATOM 0 H5' A A 7 2.525 9.574 -3.870 1.00 0.00 H new ATOM 0 H5'' A A 7 2.834 11.299 -3.869 1.00 0.00 H new ATOM 0 H4' A A 7 0.860 10.655 -2.549 1.00 0.00 H new ATOM 0 H3' A A 7 2.634 12.651 -1.767 1.00 0.00 H new ATOM 0 H2' A A 7 3.912 11.329 -0.197 1.00 0.00 H new ATOM 0 HO2' A A 7 2.355 12.989 0.899 1.00 0.00 H new ATOM 0 H1' A A 7 1.363 9.955 0.779 1.00 0.00 H new ATOM 0 H8 A A 7 4.830 8.963 -0.671 1.00 0.00 H new ATOM 0 H61 A A 7 5.408 5.416 4.394 1.00 0.00 H new ATOM 0 H62 A A 7 6.172 5.938 2.888 1.00 0.00 H new ATOM 0 H2 A A 7 1.444 7.523 4.632 1.00 0.00 H new ATOM 231 P U A 8 0.559 14.038 -1.032 1.00 0.00 P ATOM 232 OP1 U A 8 0.439 14.397 -2.465 1.00 0.00 O ATOM 233 OP2 U A 8 1.542 14.741 -0.178 1.00 0.00 O ATOM 234 O5' U A 8 -0.887 14.176 -0.331 1.00 0.00 O ATOM 235 C5' U A 8 -2.082 13.708 -0.938 1.00 0.00 C ATOM 236 C4' U A 8 -3.168 13.457 0.116 1.00 0.00 C ATOM 237 O4' U A 8 -2.746 12.387 0.941 1.00 0.00 O ATOM 238 C3' U A 8 -3.471 14.669 1.030 1.00 0.00 C ATOM 239 O3' U A 8 -4.873 14.881 1.219 1.00 0.00 O ATOM 240 C2' U A 8 -2.760 14.255 2.327 1.00 0.00 C ATOM 241 O2' U A 8 -3.282 14.842 3.504 1.00 0.00 O ATOM 242 C1' U A 8 -2.931 12.737 2.296 1.00 0.00 C ATOM 243 N1 U A 8 -1.968 12.005 3.181 1.00 0.00 N ATOM 244 C2 U A 8 -2.448 11.414 4.371 1.00 0.00 C ATOM 245 O2 U A 8 -3.622 11.476 4.739 1.00 0.00 O ATOM 246 N3 U A 8 -1.511 10.724 5.151 1.00 0.00 N ATOM 247 C4 U A 8 -0.153 10.577 4.847 1.00 0.00 C ATOM 248 O4 U A 8 0.587 9.954 5.606 1.00 0.00 O ATOM 249 C5 U A 8 0.258 11.213 3.600 1.00 0.00 C ATOM 250 C6 U A 8 -0.631 11.887 2.822 1.00 0.00 C ATOM 0 H5' U A 8 -1.880 12.787 -1.485 1.00 0.00 H new ATOM 0 H5'' U A 8 -2.436 14.439 -1.664 1.00 0.00 H new ATOM 0 H4' U A 8 -4.084 13.241 -0.434 1.00 0.00 H new ATOM 0 H3' U A 8 -3.132 15.622 0.623 1.00 0.00 H new ATOM 0 H2' U A 8 -1.725 14.594 2.363 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.178 15.196 3.324 1.00 0.00 H new ATOM 0 H1' U A 8 -3.910 12.453 2.682 1.00 0.00 H new ATOM 0 H3 U A 8 -1.847 10.293 6.012 1.00 0.00 H new ATOM 0 H5 U A 8 1.290 11.147 3.288 1.00 0.00 H new ATOM 0 H6 U A 8 -0.290 12.341 1.904 1.00 0.00 H new ATOM 261 P A A 9 -5.882 15.340 0.026 1.00 0.00 P ATOM 262 OP1 A A 9 -5.103 16.017 -1.039 1.00 0.00 O ATOM 263 OP2 A A 9 -7.043 16.024 0.637 1.00 0.00 O ATOM 264 O5' A A 9 -6.370 13.890 -0.496 1.00 0.00 O ATOM 265 C5' A A 9 -6.636 13.591 -1.860 1.00 0.00 C ATOM 266 C4' A A 9 -6.805 12.074 -2.039 1.00 0.00 C ATOM 267 O4' A A 9 -5.616 11.442 -1.596 1.00 0.00 O ATOM 268 C3' A A 9 -7.978 11.488 -1.227 1.00 0.00 C ATOM 269 O3' A A 9 -8.896 10.822 -2.089 1.00 0.00 O ATOM 270 C2' A A 9 -7.272 10.565 -0.229 1.00 0.00 C ATOM 271 O2' A A 9 -7.995 9.409 0.146 1.00 0.00 O ATOM 272 C1' A A 9 -5.942 10.253 -0.912 1.00 0.00 C ATOM 273 N9 A A 9 -4.840 9.888 0.010 1.00 0.00 N ATOM 274 C8 A A 9 -4.775 9.830 1.383 1.00 0.00 C ATOM 275 N7 A A 9 -3.621 9.443 1.855 1.00 0.00 N ATOM 276 C5 A A 9 -2.853 9.234 0.716 1.00 0.00 C ATOM 277 C6 A A 9 -1.508 8.822 0.488 1.00 0.00 C ATOM 278 N6 A A 9 -0.669 8.536 1.489 1.00 0.00 N ATOM 279 N1 A A 9 -1.060 8.710 -0.793 1.00 0.00 N ATOM 280 C2 A A 9 -1.913 9.005 -1.788 1.00 0.00 C ATOM 281 N3 A A 9 -3.181 9.402 -1.705 1.00 0.00 N ATOM 282 C4 A A 9 -3.601 9.500 -0.410 1.00 0.00 C ATOM 0 H5' A A 9 -5.820 13.951 -2.486 1.00 0.00 H new ATOM 0 H5'' A A 9 -7.539 14.107 -2.185 1.00 0.00 H new ATOM 0 H4' A A 9 -7.013 11.896 -3.094 1.00 0.00 H new ATOM 0 H3' A A 9 -8.595 12.226 -0.714 1.00 0.00 H new ATOM 0 H2' A A 9 -7.154 11.052 0.739 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.525 8.611 -0.174 1.00 0.00 H new ATOM 0 H1' A A 9 -6.055 9.377 -1.550 1.00 0.00 H new ATOM 0 H8 A A 9 -5.610 10.084 2.019 1.00 0.00 H new ATOM 0 H61 A A 9 0.287 8.244 1.286 1.00 0.00 H new ATOM 0 H62 A A 9 -0.985 8.610 2.456 1.00 0.00 H new ATOM 0 H2 A A 9 -1.518 8.907 -2.788 1.00 0.00 H new ATOM 294 P G A 10 -10.499 11.005 -1.922 1.00 0.00 P ATOM 295 OP1 G A 10 -10.831 12.392 -2.319 1.00 0.00 O ATOM 296 OP2 G A 10 -10.887 10.524 -0.576 1.00 0.00 O ATOM 297 O5' G A 10 -11.154 10.019 -3.032 1.00 0.00 O ATOM 298 C5' G A 10 -11.194 8.603 -2.914 1.00 0.00 C ATOM 299 C4' G A 10 -9.906 7.925 -3.409 1.00 0.00 C ATOM 300 O4' G A 10 -8.865 7.963 -2.454 1.00 0.00 O ATOM 301 C3' G A 10 -10.089 6.415 -3.650 1.00 0.00 C ATOM 302 O3' G A 10 -10.733 6.001 -4.862 1.00 0.00 O ATOM 303 C2' G A 10 -8.693 5.820 -3.388 1.00 0.00 C ATOM 304 O2' G A 10 -8.064 5.224 -4.507 1.00 0.00 O ATOM 305 C1' G A 10 -7.893 7.031 -2.893 1.00 0.00 C ATOM 306 N9 G A 10 -6.939 6.681 -1.810 1.00 0.00 N ATOM 307 C8 G A 10 -7.187 6.481 -0.475 1.00 0.00 C ATOM 308 N7 G A 10 -6.130 6.200 0.236 1.00 0.00 N ATOM 309 C5 G A 10 -5.093 6.204 -0.690 1.00 0.00 C ATOM 310 C6 G A 10 -3.687 5.952 -0.505 1.00 0.00 C ATOM 311 O6 G A 10 -3.101 5.680 0.541 1.00 0.00 O ATOM 312 N1 G A 10 -2.954 6.038 -1.701 1.00 0.00 N ATOM 313 C2 G A 10 -3.525 6.344 -2.938 1.00 0.00 C ATOM 314 N2 G A 10 -2.702 6.407 -3.993 1.00 0.00 N ATOM 315 N3 G A 10 -4.846 6.583 -3.103 1.00 0.00 N ATOM 316 C4 G A 10 -5.583 6.497 -1.950 1.00 0.00 C ATOM 0 H5' G A 10 -12.042 8.220 -3.482 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.362 8.335 -1.871 1.00 0.00 H new ATOM 0 H4' G A 10 -9.668 8.479 -4.317 1.00 0.00 H new ATOM 0 H3' G A 10 -10.843 6.016 -2.971 1.00 0.00 H new ATOM 0 H2' G A 10 -8.759 4.989 -2.686 1.00 0.00 H new ATOM 0 HO2' G A 10 -8.707 5.151 -5.243 1.00 0.00 H new ATOM 0 H1' G A 10 -7.266 7.438 -3.687 1.00 0.00 H new ATOM 0 H8 G A 10 -8.177 6.551 -0.048 1.00 0.00 H new ATOM 0 H1 G A 10 -1.949 5.867 -1.663 1.00 0.00 H new ATOM 0 H21 G A 10 -3.073 6.627 -4.917 1.00 0.00 H new ATOM 0 H22 G A 10 -1.704 6.235 -3.872 1.00 0.00 H new ATOM 328 P A A 11 -10.703 6.790 -6.291 1.00 0.00 P ATOM 329 OP1 A A 11 -11.541 8.005 -6.170 1.00 0.00 O ATOM 330 OP2 A A 11 -11.019 5.794 -7.340 1.00 0.00 O ATOM 331 O5' A A 11 -9.168 7.254 -6.506 1.00 0.00 O ATOM 332 C5' A A 11 -8.753 7.934 -7.682 1.00 0.00 C ATOM 333 C4' A A 11 -7.236 7.841 -7.931 1.00 0.00 C ATOM 334 O4' A A 11 -6.553 8.874 -7.254 1.00 0.00 O ATOM 335 C3' A A 11 -6.550 6.525 -7.494 1.00 0.00 C ATOM 336 O3' A A 11 -6.240 5.705 -8.620 1.00 0.00 O ATOM 337 C2' A A 11 -5.337 7.018 -6.687 1.00 0.00 C ATOM 338 O2' A A 11 -4.149 6.272 -6.876 1.00 0.00 O ATOM 339 C1' A A 11 -5.204 8.467 -7.130 1.00 0.00 C ATOM 340 N9 A A 11 -4.495 9.307 -6.133 1.00 0.00 N ATOM 341 C8 A A 11 -5.034 9.985 -5.070 1.00 0.00 C ATOM 342 N7 A A 11 -4.172 10.676 -4.377 1.00 0.00 N ATOM 343 C5 A A 11 -2.958 10.436 -5.016 1.00 0.00 C ATOM 344 C6 A A 11 -1.619 10.870 -4.778 1.00 0.00 C ATOM 345 N6 A A 11 -1.278 11.685 -3.769 1.00 0.00 N ATOM 346 N1 A A 11 -0.632 10.442 -5.610 1.00 0.00 N ATOM 347 C2 A A 11 -0.956 9.627 -6.626 1.00 0.00 C ATOM 348 N3 A A 11 -2.168 9.152 -6.954 1.00 0.00 N ATOM 349 C4 A A 11 -3.148 9.596 -6.098 1.00 0.00 C ATOM 0 H5' A A 11 -9.039 8.983 -7.608 1.00 0.00 H new ATOM 0 H5'' A A 11 -9.282 7.519 -8.540 1.00 0.00 H new ATOM 0 H4' A A 11 -7.168 7.910 -9.017 1.00 0.00 H new ATOM 0 H3' A A 11 -7.172 5.865 -6.889 1.00 0.00 H new ATOM 0 H2' A A 11 -5.493 6.899 -5.615 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.257 5.673 -7.644 1.00 0.00 H new ATOM 0 H1' A A 11 -4.617 8.570 -8.042 1.00 0.00 H new ATOM 0 H8 A A 11 -6.086 9.950 -4.827 1.00 0.00 H new ATOM 0 H61 A A 11 -0.305 11.964 -3.645 1.00 0.00 H new ATOM 0 H62 A A 11 -1.992 12.026 -3.125 1.00 0.00 H new ATOM 0 H2 A A 11 -0.139 9.314 -7.259 1.00 0.00 H new ATOM 361 P U A 12 -7.339 4.719 -9.304 1.00 0.00 P ATOM 362 OP1 U A 12 -6.615 3.756 -10.167 1.00 0.00 O ATOM 363 OP2 U A 12 -8.411 5.549 -9.895 1.00 0.00 O ATOM 364 O5' U A 12 -7.971 3.926 -8.026 1.00 0.00 O ATOM 365 C5' U A 12 -7.464 2.696 -7.526 1.00 0.00 C ATOM 366 C4' U A 12 -5.982 2.744 -7.105 1.00 0.00 C ATOM 367 O4' U A 12 -5.750 3.527 -5.944 1.00 0.00 O ATOM 368 C3' U A 12 -5.462 1.366 -6.702 1.00 0.00 C ATOM 369 O3' U A 12 -5.306 0.472 -7.802 1.00 0.00 O ATOM 370 C2' U A 12 -4.161 1.768 -6.010 1.00 0.00 C ATOM 371 O2' U A 12 -3.056 1.898 -6.889 1.00 0.00 O ATOM 372 C1' U A 12 -4.496 3.132 -5.383 1.00 0.00 C ATOM 373 N1 U A 12 -4.461 3.035 -3.885 1.00 0.00 N ATOM 374 C2 U A 12 -3.195 2.947 -3.257 1.00 0.00 C ATOM 375 O2 U A 12 -2.123 2.977 -3.865 1.00 0.00 O ATOM 376 N3 U A 12 -3.191 2.813 -1.865 1.00 0.00 N ATOM 377 C4 U A 12 -4.325 2.763 -1.051 1.00 0.00 C ATOM 378 O4 U A 12 -4.204 2.653 0.167 1.00 0.00 O ATOM 379 C5 U A 12 -5.589 2.855 -1.774 1.00 0.00 C ATOM 380 C6 U A 12 -5.624 2.981 -3.130 1.00 0.00 C ATOM 0 H5' U A 12 -7.588 1.928 -8.290 1.00 0.00 H new ATOM 0 H5'' U A 12 -8.063 2.391 -6.668 1.00 0.00 H new ATOM 0 H4' U A 12 -5.486 3.158 -7.982 1.00 0.00 H new ATOM 0 H3' U A 12 -6.134 0.783 -6.072 1.00 0.00 H new ATOM 0 H2' U A 12 -3.851 1.003 -5.298 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.409 1.184 -6.709 1.00 0.00 H new ATOM 0 H1' U A 12 -3.765 3.908 -5.610 1.00 0.00 H new ATOM 0 H3 U A 12 -2.283 2.746 -1.405 1.00 0.00 H new ATOM 0 H5 U A 12 -6.517 2.823 -1.222 1.00 0.00 H new ATOM 0 H6 U A 12 -6.580 3.040 -3.629 1.00 0.00 H new ATOM 391 P C A 13 -5.130 -1.135 -7.615 1.00 0.00 P ATOM 392 OP1 C A 13 -5.323 -1.767 -8.941 1.00 0.00 O ATOM 393 OP2 C A 13 -5.970 -1.577 -6.478 1.00 0.00 O ATOM 394 O5' C A 13 -3.581 -1.321 -7.173 1.00 0.00 O ATOM 395 C5' C A 13 -2.501 -1.199 -8.090 1.00 0.00 C ATOM 396 C4' C A 13 -1.138 -1.330 -7.389 1.00 0.00 C ATOM 397 O4' C A 13 -0.939 -0.306 -6.423 1.00 0.00 O ATOM 398 C3' C A 13 -0.928 -2.643 -6.623 1.00 0.00 C ATOM 399 O3' C A 13 -0.657 -3.755 -7.470 1.00 0.00 O ATOM 400 C2' C A 13 0.234 -2.242 -5.711 1.00 0.00 C ATOM 401 O2' C A 13 1.500 -2.258 -6.352 1.00 0.00 O ATOM 402 C1' C A 13 -0.146 -0.801 -5.342 1.00 0.00 C ATOM 403 N1 C A 13 -0.852 -0.758 -4.013 1.00 0.00 N ATOM 404 C2 C A 13 -0.089 -0.896 -2.827 1.00 0.00 C ATOM 405 O2 C A 13 1.132 -1.051 -2.860 1.00 0.00 O ATOM 406 N3 C A 13 -0.738 -0.852 -1.616 1.00 0.00 N ATOM 407 C4 C A 13 -2.075 -0.678 -1.535 1.00 0.00 C ATOM 408 N4 C A 13 -2.655 -0.636 -0.329 1.00 0.00 N ATOM 409 C5 C A 13 -2.876 -0.545 -2.732 1.00 0.00 C ATOM 410 C6 C A 13 -2.226 -0.595 -3.927 1.00 0.00 C ATOM 0 H5' C A 13 -2.559 -0.234 -8.594 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.589 -1.966 -8.859 1.00 0.00 H new ATOM 0 H4' C A 13 -0.437 -1.272 -8.221 1.00 0.00 H new ATOM 0 H3' C A 13 -1.804 -3.006 -6.086 1.00 0.00 H new ATOM 0 H2' C A 13 0.353 -2.931 -4.875 1.00 0.00 H new ATOM 0 HO2' C A 13 2.194 -1.991 -5.713 1.00 0.00 H new ATOM 0 H1' C A 13 0.730 -0.165 -5.213 1.00 0.00 H new ATOM 0 H41 C A 13 -3.664 -0.505 -0.252 1.00 0.00 H new ATOM 0 H42 C A 13 -2.088 -0.735 0.513 1.00 0.00 H new ATOM 0 H5 C A 13 -3.946 -0.411 -2.680 1.00 0.00 H new ATOM 0 H6 C A 13 -2.799 -0.505 -4.838 1.00 0.00 H new ATOM 422 P U A 14 -0.927 -5.291 -7.007 1.00 0.00 P ATOM 423 OP1 U A 14 -0.504 -6.179 -8.114 1.00 0.00 O ATOM 424 OP2 U A 14 -2.314 -5.383 -6.497 1.00 0.00 O ATOM 425 O5' U A 14 0.072 -5.521 -5.749 1.00 0.00 O ATOM 426 C5' U A 14 1.480 -5.634 -5.901 1.00 0.00 C ATOM 427 C4' U A 14 2.203 -5.621 -4.544 1.00 0.00 C ATOM 428 O4' U A 14 1.895 -4.460 -3.781 1.00 0.00 O ATOM 429 C3' U A 14 1.853 -6.799 -3.629 1.00 0.00 C ATOM 430 O3' U A 14 2.479 -8.010 -4.038 1.00 0.00 O ATOM 431 C2' U A 14 2.328 -6.247 -2.281 1.00 0.00 C ATOM 432 O2' U A 14 3.731 -6.340 -2.088 1.00 0.00 O ATOM 433 C1' U A 14 1.915 -4.770 -2.387 1.00 0.00 C ATOM 434 N1 U A 14 0.604 -4.519 -1.692 1.00 0.00 N ATOM 435 C2 U A 14 0.598 -4.471 -0.278 1.00 0.00 C ATOM 436 O2 U A 14 1.603 -4.640 0.415 1.00 0.00 O ATOM 437 N3 U A 14 -0.633 -4.223 0.341 1.00 0.00 N ATOM 438 C4 U A 14 -1.850 -4.036 -0.318 1.00 0.00 C ATOM 439 O4 U A 14 -2.877 -3.830 0.325 1.00 0.00 O ATOM 440 C5 U A 14 -1.763 -4.107 -1.772 1.00 0.00 C ATOM 441 C6 U A 14 -0.578 -4.340 -2.400 1.00 0.00 C ATOM 0 H5' U A 14 1.846 -4.812 -6.516 1.00 0.00 H new ATOM 0 H5'' U A 14 1.716 -6.558 -6.430 1.00 0.00 H new ATOM 0 H4' U A 14 3.253 -5.665 -4.832 1.00 0.00 H new ATOM 0 H3' U A 14 0.805 -7.097 -3.624 1.00 0.00 H new ATOM 0 H2' U A 14 1.905 -6.799 -1.442 1.00 0.00 H new ATOM 0 HO2' U A 14 3.966 -5.970 -1.211 1.00 0.00 H new ATOM 0 H1' U A 14 2.619 -4.111 -1.879 1.00 0.00 H new ATOM 0 H3 U A 14 -0.642 -4.175 1.360 1.00 0.00 H new ATOM 0 H5 U A 14 -2.657 -3.972 -2.363 1.00 0.00 H new ATOM 0 H6 U A 14 -0.556 -4.387 -3.479 1.00 0.00 H new ATOM 452 P U A 15 1.929 -9.474 -3.599 1.00 0.00 P ATOM 453 OP1 U A 15 2.770 -10.495 -4.264 1.00 0.00 O ATOM 454 OP2 U A 15 0.461 -9.504 -3.799 1.00 0.00 O ATOM 455 O5' U A 15 2.207 -9.534 -2.005 1.00 0.00 O ATOM 456 C5' U A 15 3.512 -9.655 -1.461 1.00 0.00 C ATOM 457 C4' U A 15 3.511 -9.467 0.064 1.00 0.00 C ATOM 458 O4' U A 15 3.007 -8.193 0.453 1.00 0.00 O ATOM 459 C3' U A 15 2.649 -10.479 0.829 1.00 0.00 C ATOM 460 O3' U A 15 3.247 -11.769 0.907 1.00 0.00 O ATOM 461 C2' U A 15 2.514 -9.753 2.169 1.00 0.00 C ATOM 462 O2' U A 15 3.661 -9.861 2.998 1.00 0.00 O ATOM 463 C1' U A 15 2.335 -8.303 1.710 1.00 0.00 C ATOM 464 N1 U A 15 0.886 -7.907 1.644 1.00 0.00 N ATOM 465 C2 U A 15 0.252 -7.493 2.838 1.00 0.00 C ATOM 466 O2 U A 15 0.812 -7.464 3.936 1.00 0.00 O ATOM 467 N3 U A 15 -1.088 -7.106 2.736 1.00 0.00 N ATOM 468 C4 U A 15 -1.849 -7.107 1.564 1.00 0.00 C ATOM 469 O4 U A 15 -3.025 -6.749 1.588 1.00 0.00 O ATOM 470 C5 U A 15 -1.127 -7.559 0.382 1.00 0.00 C ATOM 471 C6 U A 15 0.178 -7.936 0.451 1.00 0.00 C ATOM 0 H5' U A 15 4.167 -8.914 -1.919 1.00 0.00 H new ATOM 0 H5'' U A 15 3.919 -10.636 -1.707 1.00 0.00 H new ATOM 0 H4' U A 15 4.563 -9.596 0.318 1.00 0.00 H new ATOM 0 H3' U A 15 1.693 -10.723 0.367 1.00 0.00 H new ATOM 0 H2' U A 15 1.709 -10.162 2.780 1.00 0.00 H new ATOM 0 HO2' U A 15 3.507 -9.374 3.835 1.00 0.00 H new ATOM 0 H1' U A 15 2.768 -7.606 2.427 1.00 0.00 H new ATOM 0 H3 U A 15 -1.550 -6.796 3.591 1.00 0.00 H new ATOM 0 H5 U A 15 -1.639 -7.595 -0.568 1.00 0.00 H new ATOM 0 H6 U A 15 0.677 -8.267 -0.448 1.00 0.00 H new ATOM 482 P C A 16 2.385 -13.113 1.209 1.00 0.00 P ATOM 483 OP1 C A 16 3.320 -14.262 1.197 1.00 0.00 O ATOM 484 OP2 C A 16 1.212 -13.126 0.307 1.00 0.00 O ATOM 485 O5' C A 16 1.840 -12.906 2.721 1.00 0.00 O ATOM 486 C5' C A 16 2.687 -12.979 3.859 1.00 0.00 C ATOM 487 C4' C A 16 1.962 -12.515 5.134 1.00 0.00 C ATOM 488 O4' C A 16 1.478 -11.185 5.011 1.00 0.00 O ATOM 489 C3' C A 16 0.731 -13.350 5.505 1.00 0.00 C ATOM 490 O3' C A 16 1.057 -14.601 6.084 1.00 0.00 O ATOM 491 C2' C A 16 -0.006 -12.385 6.438 1.00 0.00 C ATOM 492 O2' C A 16 0.489 -12.381 7.769 1.00 0.00 O ATOM 493 C1' C A 16 0.279 -11.025 5.769 1.00 0.00 C ATOM 494 N1 C A 16 -0.897 -10.579 4.943 1.00 0.00 N ATOM 495 C2 C A 16 -2.026 -10.042 5.610 1.00 0.00 C ATOM 496 O2 C A 16 -2.057 -9.918 6.836 1.00 0.00 O ATOM 497 N3 C A 16 -3.113 -9.654 4.866 1.00 0.00 N ATOM 498 C4 C A 16 -3.128 -9.777 3.521 1.00 0.00 C ATOM 499 N4 C A 16 -4.216 -9.381 2.847 1.00 0.00 N ATOM 500 C5 C A 16 -1.989 -10.324 2.815 1.00 0.00 C ATOM 501 C6 C A 16 -0.915 -10.705 3.560 1.00 0.00 C ATOM 0 H5' C A 16 3.570 -12.361 3.696 1.00 0.00 H new ATOM 0 H5'' C A 16 3.035 -14.004 3.990 1.00 0.00 H new ATOM 0 H4' C A 16 2.729 -12.618 5.902 1.00 0.00 H new ATOM 0 H3' C A 16 0.127 -13.669 4.656 1.00 0.00 H new ATOM 0 H2' C A 16 -1.058 -12.649 6.548 1.00 0.00 H new ATOM 0 HO2' C A 16 0.993 -13.205 7.933 1.00 0.00 H new ATOM 0 HO3' C A 16 0.233 -15.086 6.300 1.00 0.00 H new ATOM 0 H1' C A 16 0.423 -10.232 6.503 1.00 0.00 H new ATOM 0 H41 C A 16 -4.246 -9.466 1.831 1.00 0.00 H new ATOM 0 H42 C A 16 -5.015 -8.994 3.350 1.00 0.00 H new ATOM 0 H5 C A 16 -1.991 -10.426 1.740 1.00 0.00 H new ATOM 0 H6 C A 16 -0.051 -11.118 3.060 1.00 0.00 H new TER 514 C A 16