USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -21:sc= 0.144 USER MOD Single : A 1 G O5' : rot 10:sc= -0.618! USER MOD Single : A 2 G O2' : rot -105:sc= 0.489 USER MOD Single : A 3 A O2' : rot -16:sc= -0.234 USER MOD Single : A 4 G O2' : rot -69:sc= 0.408 USER MOD Single : A 5 A O2' : rot -15:sc= 0.197 USER MOD Single : A 6 G O2' : rot 140:sc= 1.07 USER MOD Single : A 7 H2U O2' : rot 32:sc= 0.189 USER MOD Single : A 8 G O2' : rot -107:sc= 2.42 USER MOD Single : A 9 G O2' : rot -76:sc= 1.03 USER MOD Single : A 10 A O2' : rot -21:sc= -0.23 USER MOD Single : A 11 A O2' : rot 180:sc= -3! USER MOD Single : A 12 C O2' : rot -15:sc= 0.17 USER MOD Single : A 13 U O2' : rot -2:sc= -2.1! USER MOD Single : A 14 C O2' : rot -140:sc= 1.18 USER MOD Single : A 15 C O2' : rot -17:sc= 0.199 USER MOD Single : A 15 C O3' : rot 180:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.563 18.381 19.607 1.00 0.00 O ATOM 2 C5' G A 1 23.879 18.264 18.357 1.00 0.00 C ATOM 3 C4' G A 1 22.740 19.273 18.233 1.00 0.00 C ATOM 4 O4' G A 1 21.733 19.026 19.218 1.00 0.00 O ATOM 5 C3' G A 1 23.265 20.690 18.436 1.00 0.00 C ATOM 6 O3' G A 1 23.651 21.287 17.197 1.00 0.00 O ATOM 7 C2' G A 1 22.054 21.383 19.052 1.00 0.00 C ATOM 8 O2' G A 1 21.144 21.830 18.044 1.00 0.00 O ATOM 9 C1' G A 1 21.455 20.257 19.889 1.00 0.00 C ATOM 10 N9 G A 1 22.034 20.255 21.246 1.00 0.00 N ATOM 11 C8 G A 1 22.940 19.378 21.786 1.00 0.00 C ATOM 12 N7 G A 1 23.273 19.638 23.020 1.00 0.00 N ATOM 13 C5 G A 1 22.531 20.775 23.317 1.00 0.00 C ATOM 14 C6 G A 1 22.479 21.524 24.522 1.00 0.00 C ATOM 15 O6 G A 1 23.085 21.319 25.571 1.00 0.00 O ATOM 16 N1 G A 1 21.610 22.601 24.419 1.00 0.00 N ATOM 17 C2 G A 1 20.879 22.921 23.291 1.00 0.00 C ATOM 18 N2 G A 1 20.093 23.994 23.376 1.00 0.00 N ATOM 19 N3 G A 1 20.925 22.214 22.155 1.00 0.00 N ATOM 20 C4 G A 1 21.770 21.161 22.245 1.00 0.00 C ATOM 0 H5' G A 1 23.482 17.254 18.254 1.00 0.00 H new ATOM 0 H5'' G A 1 24.586 18.413 17.541 1.00 0.00 H new ATOM 0 H4' G A 1 22.313 19.167 17.236 1.00 0.00 H new ATOM 0 H3' G A 1 24.162 20.749 19.052 1.00 0.00 H new ATOM 0 H2' G A 1 22.294 22.280 19.623 1.00 0.00 H new ATOM 0 HO2' G A 1 21.617 21.912 17.190 1.00 0.00 H new ATOM 0 HO5' G A 1 24.064 18.984 20.198 1.00 0.00 H new ATOM 0 H1' G A 1 20.379 20.394 19.997 1.00 0.00 H new ATOM 0 H8 G A 1 23.344 18.542 21.235 1.00 0.00 H new ATOM 0 H1 G A 1 21.503 23.201 25.237 1.00 0.00 H new ATOM 0 H21 G A 1 19.530 24.278 22.575 1.00 0.00 H new ATOM 0 H22 G A 1 20.055 24.531 24.243 1.00 0.00 H new ATOM 33 P G A 2 24.965 22.213 17.096 1.00 0.00 P ATOM 34 OP1 G A 2 25.148 22.599 15.679 1.00 0.00 O ATOM 35 OP2 G A 2 26.070 21.538 17.812 1.00 0.00 O ATOM 36 O5' G A 2 24.527 23.514 17.935 1.00 0.00 O ATOM 37 C5' G A 2 23.617 24.468 17.380 1.00 0.00 C ATOM 38 C4' G A 2 22.902 25.279 18.456 1.00 0.00 C ATOM 39 O4' G A 2 22.340 24.419 19.451 1.00 0.00 O ATOM 40 C3' G A 2 23.875 26.223 19.155 1.00 0.00 C ATOM 41 O3' G A 2 24.008 27.477 18.482 1.00 0.00 O ATOM 42 C2' G A 2 23.201 26.381 20.514 1.00 0.00 C ATOM 43 O2' G A 2 22.195 27.396 20.502 1.00 0.00 O ATOM 44 C1' G A 2 22.596 24.998 20.733 1.00 0.00 C ATOM 45 N9 G A 2 23.525 24.174 21.528 1.00 0.00 N ATOM 46 C8 G A 2 24.269 23.085 21.153 1.00 0.00 C ATOM 47 N7 G A 2 25.044 22.615 22.091 1.00 0.00 N ATOM 48 C5 G A 2 24.794 23.461 23.166 1.00 0.00 C ATOM 49 C6 G A 2 25.353 23.453 24.470 1.00 0.00 C ATOM 50 O6 G A 2 26.178 22.676 24.944 1.00 0.00 O ATOM 51 N1 G A 2 24.845 24.481 25.253 1.00 0.00 N ATOM 52 C2 G A 2 23.905 25.404 24.838 1.00 0.00 C ATOM 53 N2 G A 2 23.522 26.312 25.736 1.00 0.00 N ATOM 54 N3 G A 2 23.372 25.411 23.610 1.00 0.00 N ATOM 55 C4 G A 2 23.868 24.416 22.837 1.00 0.00 C ATOM 0 H5' G A 2 22.879 23.950 16.768 1.00 0.00 H new ATOM 0 H5'' G A 2 24.160 25.144 16.720 1.00 0.00 H new ATOM 0 H4' G A 2 22.114 25.847 17.961 1.00 0.00 H new ATOM 0 H3' G A 2 24.898 25.848 19.194 1.00 0.00 H new ATOM 0 H2' G A 2 23.887 26.694 21.301 1.00 0.00 H new ATOM 0 HO2' G A 2 22.530 28.194 20.962 1.00 0.00 H new ATOM 0 H1' G A 2 21.659 25.061 21.287 1.00 0.00 H new ATOM 0 H8 G A 2 24.218 22.653 20.165 1.00 0.00 H new ATOM 0 H1 G A 2 25.193 24.561 26.209 1.00 0.00 H new ATOM 0 H21 G A 2 22.830 27.018 25.484 1.00 0.00 H new ATOM 0 H22 G A 2 23.921 26.301 26.675 1.00 0.00 H new ATOM 67 P A A 3 25.363 28.335 18.610 1.00 0.00 P ATOM 68 OP1 A A 3 25.467 29.227 17.433 1.00 0.00 O ATOM 69 OP2 A A 3 26.482 27.417 18.916 1.00 0.00 O ATOM 70 O5' A A 3 25.085 29.245 19.910 1.00 0.00 O ATOM 71 C5' A A 3 24.244 30.399 19.820 1.00 0.00 C ATOM 72 C4' A A 3 23.772 30.886 21.185 1.00 0.00 C ATOM 73 O4' A A 3 23.211 29.816 21.949 1.00 0.00 O ATOM 74 C3' A A 3 24.924 31.467 21.999 1.00 0.00 C ATOM 75 O3' A A 3 25.154 32.850 21.721 1.00 0.00 O ATOM 76 C2' A A 3 24.405 31.259 23.417 1.00 0.00 C ATOM 77 O2' A A 3 23.448 32.261 23.771 1.00 0.00 O ATOM 78 C1' A A 3 23.754 29.888 23.270 1.00 0.00 C ATOM 79 N9 A A 3 24.757 28.831 23.494 1.00 0.00 N ATOM 80 C8 A A 3 25.345 27.983 22.591 1.00 0.00 C ATOM 81 N7 A A 3 26.204 27.147 23.105 1.00 0.00 N ATOM 82 C5 A A 3 26.190 27.472 24.456 1.00 0.00 C ATOM 83 C6 A A 3 26.877 26.967 25.572 1.00 0.00 C ATOM 84 N6 A A 3 27.751 25.964 25.495 1.00 0.00 N ATOM 85 N1 A A 3 26.629 27.528 26.762 1.00 0.00 N ATOM 86 C2 A A 3 25.757 28.520 26.869 1.00 0.00 C ATOM 87 N3 A A 3 25.047 29.075 25.900 1.00 0.00 N ATOM 88 C4 A A 3 25.316 28.497 24.705 1.00 0.00 C ATOM 0 H5' A A 3 23.377 30.165 19.202 1.00 0.00 H new ATOM 0 H5'' A A 3 24.786 31.201 19.319 1.00 0.00 H new ATOM 0 H4' A A 3 23.022 31.653 20.992 1.00 0.00 H new ATOM 0 H3' A A 3 25.888 31.003 21.790 1.00 0.00 H new ATOM 0 H2' A A 3 25.163 31.321 24.198 1.00 0.00 H new ATOM 0 HO2' A A 3 23.510 33.009 23.141 1.00 0.00 H new ATOM 0 H1' A A 3 22.962 29.745 24.005 1.00 0.00 H new ATOM 0 H8 A A 3 25.115 28.006 21.536 1.00 0.00 H new ATOM 0 H61 A A 3 28.224 25.634 26.336 1.00 0.00 H new ATOM 0 H62 A A 3 27.947 25.526 24.595 1.00 0.00 H new ATOM 0 H2 A A 3 25.609 28.922 27.861 1.00 0.00 H new ATOM 100 P G A 4 26.607 33.498 21.967 1.00 0.00 P ATOM 101 OP1 G A 4 26.512 34.959 21.750 1.00 0.00 O ATOM 102 OP2 G A 4 27.604 32.716 21.200 1.00 0.00 O ATOM 103 O5' G A 4 26.844 33.236 23.538 1.00 0.00 O ATOM 104 C5' G A 4 26.166 34.031 24.514 1.00 0.00 C ATOM 105 C4' G A 4 26.666 33.752 25.928 1.00 0.00 C ATOM 106 O4' G A 4 26.425 32.391 26.296 1.00 0.00 O ATOM 107 C3' G A 4 28.166 34.005 26.031 1.00 0.00 C ATOM 108 O3' G A 4 28.457 35.373 26.330 1.00 0.00 O ATOM 109 C2' G A 4 28.551 33.077 27.178 1.00 0.00 C ATOM 110 O2' G A 4 28.406 33.717 28.448 1.00 0.00 O ATOM 111 C1' G A 4 27.561 31.926 27.028 1.00 0.00 C ATOM 112 N9 G A 4 28.193 30.784 26.341 1.00 0.00 N ATOM 113 C8 G A 4 28.162 30.458 25.010 1.00 0.00 C ATOM 114 N7 G A 4 28.828 29.379 24.706 1.00 0.00 N ATOM 115 C5 G A 4 29.336 28.960 25.931 1.00 0.00 C ATOM 116 C6 G A 4 30.144 27.833 26.234 1.00 0.00 C ATOM 117 O6 G A 4 30.565 26.968 25.469 1.00 0.00 O ATOM 118 N1 G A 4 30.441 27.765 27.588 1.00 0.00 N ATOM 119 C2 G A 4 30.017 28.672 28.539 1.00 0.00 C ATOM 120 N2 G A 4 30.410 28.443 29.792 1.00 0.00 N ATOM 121 N3 G A 4 29.255 29.736 28.255 1.00 0.00 N ATOM 122 C4 G A 4 28.957 29.810 26.936 1.00 0.00 C ATOM 0 H5' G A 4 25.095 33.833 24.463 1.00 0.00 H new ATOM 0 H5'' G A 4 26.306 35.087 24.282 1.00 0.00 H new ATOM 0 H4' G A 4 26.125 34.421 26.597 1.00 0.00 H new ATOM 0 H3' G A 4 28.712 33.817 25.107 1.00 0.00 H new ATOM 0 H2' G A 4 29.594 32.763 27.139 1.00 0.00 H new ATOM 0 HO2' G A 4 29.090 34.413 28.544 1.00 0.00 H new ATOM 0 H1' G A 4 27.245 31.584 28.013 1.00 0.00 H new ATOM 0 H8 G A 4 27.631 31.045 24.275 1.00 0.00 H new ATOM 0 H1 G A 4 31.017 26.985 27.905 1.00 0.00 H new ATOM 0 H21 G A 4 30.129 29.078 30.539 1.00 0.00 H new ATOM 0 H22 G A 4 30.992 27.633 30.004 1.00 0.00 H new ATOM 134 P A A 5 29.979 35.875 26.481 1.00 0.00 P ATOM 135 OP1 A A 5 30.331 35.878 27.918 1.00 0.00 O ATOM 136 OP2 A A 5 30.145 37.114 25.689 1.00 0.00 O ATOM 137 O5' A A 5 30.795 34.695 25.750 1.00 0.00 O ATOM 138 C5' A A 5 32.147 34.409 26.116 1.00 0.00 C ATOM 139 C4' A A 5 32.239 33.742 27.484 1.00 0.00 C ATOM 140 O4' A A 5 31.465 32.539 27.502 1.00 0.00 O ATOM 141 C3' A A 5 33.686 33.389 27.808 1.00 0.00 C ATOM 142 O3' A A 5 34.316 34.405 28.595 1.00 0.00 O ATOM 143 C2' A A 5 33.546 32.090 28.594 1.00 0.00 C ATOM 144 O2' A A 5 33.395 32.335 29.994 1.00 0.00 O ATOM 145 C1' A A 5 32.284 31.477 27.996 1.00 0.00 C ATOM 146 N9 A A 5 32.626 30.534 26.915 1.00 0.00 N ATOM 147 C8 A A 5 32.174 30.518 25.621 1.00 0.00 C ATOM 148 N7 A A 5 32.642 29.544 24.892 1.00 0.00 N ATOM 149 C5 A A 5 33.468 28.858 25.776 1.00 0.00 C ATOM 150 C6 A A 5 34.272 27.715 25.640 1.00 0.00 C ATOM 151 N6 A A 5 34.370 27.025 24.503 1.00 0.00 N ATOM 152 N1 A A 5 34.956 27.305 26.715 1.00 0.00 N ATOM 153 C2 A A 5 34.870 27.964 27.860 1.00 0.00 C ATOM 154 N3 A A 5 34.151 29.048 28.109 1.00 0.00 N ATOM 155 C4 A A 5 33.464 29.450 27.012 1.00 0.00 C ATOM 0 H5' A A 5 32.724 35.334 26.124 1.00 0.00 H new ATOM 0 H5'' A A 5 32.596 33.759 25.365 1.00 0.00 H new ATOM 0 H4' A A 5 31.855 34.443 28.226 1.00 0.00 H new ATOM 0 H3' A A 5 34.312 33.296 26.920 1.00 0.00 H new ATOM 0 H2' A A 5 34.421 31.444 28.519 1.00 0.00 H new ATOM 0 HO2' A A 5 33.653 33.259 30.194 1.00 0.00 H new ATOM 0 H1' A A 5 31.744 30.916 28.758 1.00 0.00 H new ATOM 0 H8 A A 5 31.484 31.254 25.236 1.00 0.00 H new ATOM 0 H61 A A 5 34.969 26.201 24.457 1.00 0.00 H new ATOM 0 H62 A A 5 33.846 27.322 23.680 1.00 0.00 H new ATOM 0 H2 A A 5 35.451 27.574 28.683 1.00 0.00 H new ATOM 167 P G A 6 35.680 35.095 28.091 1.00 0.00 P ATOM 168 OP1 G A 6 36.061 36.138 29.070 1.00 0.00 O ATOM 169 OP2 G A 6 35.511 35.470 26.669 1.00 0.00 O ATOM 170 O5' G A 6 36.737 33.885 28.202 1.00 0.00 O ATOM 171 C5' G A 6 37.707 33.647 27.178 1.00 0.00 C ATOM 172 C4' G A 6 38.797 32.680 27.627 1.00 0.00 C ATOM 173 O4' G A 6 38.248 31.394 27.929 1.00 0.00 O ATOM 174 C3' G A 6 39.834 32.499 26.524 1.00 0.00 C ATOM 175 O3' G A 6 40.902 33.442 26.653 1.00 0.00 O ATOM 176 C2' G A 6 40.310 31.069 26.760 1.00 0.00 C ATOM 177 O2' G A 6 41.373 31.022 27.715 1.00 0.00 O ATOM 178 C1' G A 6 39.046 30.397 27.286 1.00 0.00 C ATOM 179 N9 G A 6 38.294 29.750 26.194 1.00 0.00 N ATOM 180 C8 G A 6 37.170 30.190 25.544 1.00 0.00 C ATOM 181 N7 G A 6 36.726 29.383 24.623 1.00 0.00 N ATOM 182 C5 G A 6 37.629 28.324 24.665 1.00 0.00 C ATOM 183 C6 G A 6 37.658 27.135 23.892 1.00 0.00 C ATOM 184 O6 G A 6 36.890 26.784 22.998 1.00 0.00 O ATOM 185 N1 G A 6 38.725 26.319 24.243 1.00 0.00 N ATOM 186 C2 G A 6 39.653 26.613 25.222 1.00 0.00 C ATOM 187 N2 G A 6 40.621 25.718 25.423 1.00 0.00 N ATOM 188 N3 G A 6 39.625 27.733 25.955 1.00 0.00 N ATOM 189 C4 G A 6 38.588 28.538 25.619 1.00 0.00 C ATOM 0 H5' G A 6 38.162 34.593 26.885 1.00 0.00 H new ATOM 0 H5'' G A 6 37.209 33.245 26.295 1.00 0.00 H new ATOM 0 H4' G A 6 39.259 33.104 28.518 1.00 0.00 H new ATOM 0 H3' G A 6 39.442 32.664 25.521 1.00 0.00 H new ATOM 0 H2' G A 6 40.721 30.589 25.872 1.00 0.00 H new ATOM 0 HO2' G A 6 41.251 30.247 28.303 1.00 0.00 H new ATOM 0 H1' G A 6 39.313 29.615 27.997 1.00 0.00 H new ATOM 0 H8 G A 6 36.691 31.130 25.777 1.00 0.00 H new ATOM 0 H1 G A 6 38.831 25.438 23.741 1.00 0.00 H new ATOM 0 H21 G A 6 41.332 25.887 26.135 1.00 0.00 H new ATOM 0 H22 G A 6 40.650 24.865 24.865 1.00 0.00 H new HETATM 201 P H2U A 7 41.958 33.663 25.458 1.00 0.00 P HETATM 202 OP1 H2U A 7 42.700 34.916 25.720 1.00 0.00 O HETATM 203 OP2 H2U A 7 41.248 33.506 24.168 1.00 0.00 O HETATM 204 O5' H2U A 7 42.957 32.415 25.656 1.00 0.00 O HETATM 205 C5' H2U A 7 43.600 31.802 24.537 1.00 0.00 C HETATM 206 C4' H2U A 7 43.560 30.279 24.624 1.00 0.00 C HETATM 207 O4' H2U A 7 42.212 29.803 24.654 1.00 0.00 O HETATM 208 C3' H2U A 7 44.268 29.649 23.429 1.00 0.00 C HETATM 209 O3' H2U A 7 44.985 28.471 23.809 1.00 0.00 O HETATM 210 C1' H2U A 7 41.964 29.062 23.456 1.00 0.00 C HETATM 211 C2' H2U A 7 43.113 29.325 22.488 1.00 0.00 C HETATM 212 O2' H2U A 7 43.412 28.172 21.696 1.00 0.00 O HETATM 213 N1 H2U A 7 40.676 29.459 22.857 1.00 0.00 N HETATM 214 C2 H2U A 7 39.974 28.502 22.147 1.00 0.00 C HETATM 215 O2 H2U A 7 40.313 27.321 22.139 1.00 0.00 O HETATM 216 N3 H2U A 7 38.905 28.965 21.393 1.00 0.00 N HETATM 217 C4 H2U A 7 38.530 30.298 21.290 1.00 0.00 C HETATM 218 O4 H2U A 7 37.455 30.623 20.790 1.00 0.00 O HETATM 219 C5 H2U A 7 39.486 31.345 21.801 1.00 0.00 C HETATM 220 C6 H2U A 7 40.166 30.816 23.060 1.00 0.00 C HETATM 0 HO2' H2U A 7 43.980 27.561 22.210 1.00 0.00 H new HETATM 0 H5'' H2U A 7 43.115 32.126 23.616 1.00 0.00 H new HETATM 0 HN3 H2U A 7 38.356 28.277 20.878 1.00 0.00 H new HETATM 0 H62 H2U A 7 39.457 30.821 23.888 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.986 31.478 23.339 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.230 31.580 21.040 1.00 0.00 H new HETATM 0 H51 H2U A 7 38.952 32.269 22.020 1.00 0.00 H new HETATM 0 H5' H2U A 7 44.636 32.136 24.486 1.00 0.00 H new HETATM 0 H4' H2U A 7 44.069 29.996 25.545 1.00 0.00 H new HETATM 0 H3' H2U A 7 45.019 30.298 22.979 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.893 30.114 21.769 1.00 0.00 H new HETATM 0 H1' H2U A 7 41.905 27.997 23.681 1.00 0.00 H new ATOM 233 P G A 8 46.453 28.171 23.220 1.00 0.00 P ATOM 234 OP1 G A 8 47.463 28.537 24.238 1.00 0.00 O ATOM 235 OP2 G A 8 46.548 28.766 21.868 1.00 0.00 O ATOM 236 O5' G A 8 46.431 26.569 23.072 1.00 0.00 O ATOM 237 C5' G A 8 47.526 25.759 23.509 1.00 0.00 C ATOM 238 C4' G A 8 47.112 24.748 24.573 1.00 0.00 C ATOM 239 O4' G A 8 46.790 25.407 25.799 1.00 0.00 O ATOM 240 C3' G A 8 45.889 23.959 24.116 1.00 0.00 C ATOM 241 O3' G A 8 46.265 22.761 23.431 1.00 0.00 O ATOM 242 C2' G A 8 45.169 23.666 25.429 1.00 0.00 C ATOM 243 O2' G A 8 45.542 22.390 25.957 1.00 0.00 O ATOM 244 C1' G A 8 45.618 24.799 26.347 1.00 0.00 C ATOM 245 N9 G A 8 44.550 25.802 26.519 1.00 0.00 N ATOM 246 C8 G A 8 43.905 26.553 25.570 1.00 0.00 C ATOM 247 N7 G A 8 43.018 27.381 26.046 1.00 0.00 N ATOM 248 C5 G A 8 43.082 27.162 27.418 1.00 0.00 C ATOM 249 C6 G A 8 42.344 27.776 28.463 1.00 0.00 C ATOM 250 O6 G A 8 41.485 28.652 28.379 1.00 0.00 O ATOM 251 N1 G A 8 42.700 27.274 29.707 1.00 0.00 N ATOM 252 C2 G A 8 43.654 26.299 29.921 1.00 0.00 C ATOM 253 N2 G A 8 43.863 25.941 31.188 1.00 0.00 N ATOM 254 N3 G A 8 44.352 25.718 28.936 1.00 0.00 N ATOM 255 C4 G A 8 44.011 26.200 27.718 1.00 0.00 C ATOM 0 H5' G A 8 48.313 26.400 23.907 1.00 0.00 H new ATOM 0 H5'' G A 8 47.948 25.231 22.654 1.00 0.00 H new ATOM 0 H4' G A 8 47.953 24.072 24.728 1.00 0.00 H new ATOM 0 H3' G A 8 45.267 24.497 23.401 1.00 0.00 H new ATOM 0 H2' G A 8 44.086 23.621 25.313 1.00 0.00 H new ATOM 0 HO2' G A 8 44.800 21.760 25.845 1.00 0.00 H new ATOM 0 H1' G A 8 45.843 24.388 27.331 1.00 0.00 H new ATOM 0 H8 G A 8 44.115 26.466 24.514 1.00 0.00 H new ATOM 0 H1 G A 8 42.221 27.654 30.524 1.00 0.00 H new ATOM 0 H21 G A 8 44.556 25.225 31.408 1.00 0.00 H new ATOM 0 H22 G A 8 43.330 26.383 31.937 1.00 0.00 H new ATOM 267 P G A 9 46.677 22.785 21.875 1.00 0.00 P ATOM 268 OP1 G A 9 48.104 22.403 21.765 1.00 0.00 O ATOM 269 OP2 G A 9 46.225 24.062 21.278 1.00 0.00 O ATOM 270 O5' G A 9 45.777 21.597 21.267 1.00 0.00 O ATOM 271 C5' G A 9 44.373 21.541 21.535 1.00 0.00 C ATOM 272 C4' G A 9 43.852 20.110 21.626 1.00 0.00 C ATOM 273 O4' G A 9 44.475 19.414 22.709 1.00 0.00 O ATOM 274 C3' G A 9 42.343 20.116 21.840 1.00 0.00 C ATOM 275 O3' G A 9 41.646 19.880 20.614 1.00 0.00 O ATOM 276 C2' G A 9 42.117 18.991 22.845 1.00 0.00 C ATOM 277 O2' G A 9 41.803 17.753 22.201 1.00 0.00 O ATOM 278 C1' G A 9 43.456 18.897 23.568 1.00 0.00 C ATOM 279 N9 G A 9 43.422 19.636 24.845 1.00 0.00 N ATOM 280 C8 G A 9 42.924 20.885 25.109 1.00 0.00 C ATOM 281 N7 G A 9 43.050 21.268 26.348 1.00 0.00 N ATOM 282 C5 G A 9 43.684 20.186 26.952 1.00 0.00 C ATOM 283 C6 G A 9 44.087 20.023 28.302 1.00 0.00 C ATOM 284 O6 G A 9 43.949 20.809 29.236 1.00 0.00 O ATOM 285 N1 G A 9 44.693 18.791 28.509 1.00 0.00 N ATOM 286 C2 G A 9 44.890 17.835 27.532 1.00 0.00 C ATOM 287 N2 G A 9 45.500 16.713 27.912 1.00 0.00 N ATOM 288 N3 G A 9 44.510 17.987 26.258 1.00 0.00 N ATOM 289 C4 G A 9 43.917 19.186 26.045 1.00 0.00 C ATOM 0 H5' G A 9 43.835 22.071 20.749 1.00 0.00 H new ATOM 0 H5'' G A 9 44.164 22.060 22.470 1.00 0.00 H new ATOM 0 H4' G A 9 44.090 19.602 20.691 1.00 0.00 H new ATOM 0 H3' G A 9 41.968 21.075 22.198 1.00 0.00 H new ATOM 0 H2' G A 9 41.275 19.189 23.508 1.00 0.00 H new ATOM 0 HO2' G A 9 40.873 17.772 21.892 1.00 0.00 H new ATOM 0 H1' G A 9 43.669 17.854 23.805 1.00 0.00 H new ATOM 0 H8 G A 9 42.464 21.502 24.351 1.00 0.00 H new ATOM 0 H1 G A 9 45.017 18.576 29.452 1.00 0.00 H new ATOM 0 H21 G A 9 45.673 15.971 27.233 1.00 0.00 H new ATOM 0 H22 G A 9 45.794 16.596 28.882 1.00 0.00 H new ATOM 301 P A A 10 40.039 19.948 20.547 1.00 0.00 P ATOM 302 OP1 A A 10 39.632 19.822 19.130 1.00 0.00 O ATOM 303 OP2 A A 10 39.584 21.121 21.327 1.00 0.00 O ATOM 304 O5' A A 10 39.618 18.605 21.329 1.00 0.00 O ATOM 305 C5' A A 10 38.523 18.594 22.250 1.00 0.00 C ATOM 306 C4' A A 10 38.682 17.522 23.321 1.00 0.00 C ATOM 307 O4' A A 10 39.871 17.749 24.084 1.00 0.00 O ATOM 308 C3' A A 10 37.488 17.537 24.269 1.00 0.00 C ATOM 309 O3' A A 10 36.502 16.572 23.893 1.00 0.00 O ATOM 310 C2' A A 10 38.110 17.191 25.617 1.00 0.00 C ATOM 311 O2' A A 10 38.042 15.786 25.875 1.00 0.00 O ATOM 312 C1' A A 10 39.553 17.663 25.475 1.00 0.00 C ATOM 313 N9 A A 10 39.746 18.962 26.145 1.00 0.00 N ATOM 314 C8 A A 10 40.243 19.220 27.397 1.00 0.00 C ATOM 315 N7 A A 10 40.295 20.486 27.708 1.00 0.00 N ATOM 316 C5 A A 10 39.789 21.114 26.575 1.00 0.00 C ATOM 317 C6 A A 10 39.568 22.460 26.242 1.00 0.00 C ATOM 318 N6 A A 10 39.834 23.471 27.068 1.00 0.00 N ATOM 319 N1 A A 10 39.059 22.724 25.033 1.00 0.00 N ATOM 320 C2 A A 10 38.773 21.739 24.194 1.00 0.00 C ATOM 321 N3 A A 10 38.931 20.440 24.390 1.00 0.00 N ATOM 322 C4 A A 10 39.452 20.195 25.616 1.00 0.00 C ATOM 0 H5' A A 10 37.594 18.426 21.705 1.00 0.00 H new ATOM 0 H5'' A A 10 38.441 19.571 22.726 1.00 0.00 H new ATOM 0 H4' A A 10 38.745 16.556 22.820 1.00 0.00 H new ATOM 0 H3' A A 10 36.963 18.492 24.269 1.00 0.00 H new ATOM 0 H2' A A 10 37.594 17.660 26.455 1.00 0.00 H new ATOM 0 HO2' A A 10 37.336 15.386 25.325 1.00 0.00 H new ATOM 0 H1' A A 10 40.223 16.950 25.955 1.00 0.00 H new ATOM 0 H8 A A 10 40.565 18.439 28.070 1.00 0.00 H new ATOM 0 H61 A A 10 39.654 24.431 26.774 1.00 0.00 H new ATOM 0 H62 A A 10 40.218 23.285 27.994 1.00 0.00 H new ATOM 0 H2 A A 10 38.363 22.031 23.238 1.00 0.00 H new ATOM 334 P A A 11 34.927 16.861 24.068 1.00 0.00 P ATOM 335 OP1 A A 11 34.224 15.576 24.281 1.00 0.00 O ATOM 336 OP2 A A 11 34.490 17.740 22.961 1.00 0.00 O ATOM 337 O5' A A 11 34.874 17.690 25.448 1.00 0.00 O ATOM 338 C5' A A 11 35.110 17.042 26.700 1.00 0.00 C ATOM 339 C4' A A 11 35.364 18.048 27.818 1.00 0.00 C ATOM 340 O4' A A 11 36.468 18.897 27.493 1.00 0.00 O ATOM 341 C3' A A 11 34.136 18.925 28.040 1.00 0.00 C ATOM 342 O3' A A 11 33.288 18.383 29.058 1.00 0.00 O ATOM 343 C2' A A 11 34.750 20.260 28.446 1.00 0.00 C ATOM 344 O2' A A 11 34.954 20.349 29.859 1.00 0.00 O ATOM 345 C1' A A 11 36.077 20.257 27.695 1.00 0.00 C ATOM 346 N9 A A 11 35.948 20.969 26.409 1.00 0.00 N ATOM 347 C8 A A 11 35.630 20.456 25.178 1.00 0.00 C ATOM 348 N7 A A 11 35.587 21.338 24.218 1.00 0.00 N ATOM 349 C5 A A 11 35.903 22.527 24.866 1.00 0.00 C ATOM 350 C6 A A 11 36.029 23.851 24.417 1.00 0.00 C ATOM 351 N6 A A 11 35.854 24.211 23.145 1.00 0.00 N ATOM 352 N1 A A 11 36.350 24.782 25.324 1.00 0.00 N ATOM 353 C2 A A 11 36.536 24.453 26.593 1.00 0.00 C ATOM 354 N3 A A 11 36.451 23.246 27.128 1.00 0.00 N ATOM 355 C4 A A 11 36.124 22.315 26.201 1.00 0.00 C ATOM 0 H5' A A 11 35.968 16.376 26.609 1.00 0.00 H new ATOM 0 H5'' A A 11 34.251 16.422 26.957 1.00 0.00 H new ATOM 0 H4' A A 11 35.586 17.482 28.723 1.00 0.00 H new ATOM 0 H3' A A 11 33.490 19.007 27.166 1.00 0.00 H new ATOM 0 H2' A A 11 34.113 21.111 28.207 1.00 0.00 H new ATOM 0 HO2' A A 11 35.350 21.218 30.078 1.00 0.00 H new ATOM 0 H1' A A 11 36.839 20.777 28.275 1.00 0.00 H new ATOM 0 H8 A A 11 35.431 19.407 25.016 1.00 0.00 H new ATOM 0 H61 A A 11 35.958 25.188 22.873 1.00 0.00 H new ATOM 0 H62 A A 11 35.616 23.509 22.444 1.00 0.00 H new ATOM 0 H2 A A 11 36.785 25.260 27.266 1.00 0.00 H new ATOM 367 P C A 12 31.750 18.840 29.187 1.00 0.00 P ATOM 368 OP1 C A 12 30.995 17.780 29.893 1.00 0.00 O ATOM 369 OP2 C A 12 31.276 19.291 27.859 1.00 0.00 O ATOM 370 O5' C A 12 31.861 20.125 30.150 1.00 0.00 O ATOM 371 C5' C A 12 32.612 20.083 31.366 1.00 0.00 C ATOM 372 C4' C A 12 32.717 21.460 32.012 1.00 0.00 C ATOM 373 O4' C A 12 33.313 22.396 31.111 1.00 0.00 O ATOM 374 C3' C A 12 31.339 21.987 32.396 1.00 0.00 C ATOM 375 O3' C A 12 31.000 21.613 33.735 1.00 0.00 O ATOM 376 C2' C A 12 31.519 23.494 32.256 1.00 0.00 C ATOM 377 O2' C A 12 32.025 24.074 33.461 1.00 0.00 O ATOM 378 C1' C A 12 32.521 23.586 31.109 1.00 0.00 C ATOM 379 N1 C A 12 31.822 23.748 29.820 1.00 0.00 N ATOM 380 C2 C A 12 31.570 25.037 29.390 1.00 0.00 C ATOM 381 O2 C A 12 31.914 25.999 30.074 1.00 0.00 O ATOM 382 N3 C A 12 30.931 25.216 28.205 1.00 0.00 N ATOM 383 C4 C A 12 30.547 24.167 27.465 1.00 0.00 C ATOM 384 N4 C A 12 29.892 24.383 26.325 1.00 0.00 N ATOM 385 C5 C A 12 30.805 22.827 27.901 1.00 0.00 C ATOM 386 C6 C A 12 31.443 22.666 29.080 1.00 0.00 C ATOM 0 H5' C A 12 33.612 19.699 31.163 1.00 0.00 H new ATOM 0 H5'' C A 12 32.139 19.390 32.062 1.00 0.00 H new ATOM 0 H4' C A 12 33.335 21.352 32.904 1.00 0.00 H new ATOM 0 H3' C A 12 30.528 21.593 31.784 1.00 0.00 H new ATOM 0 H2' C A 12 30.593 24.037 32.066 1.00 0.00 H new ATOM 0 HO2' C A 12 31.931 23.434 34.197 1.00 0.00 H new ATOM 0 H1' C A 12 33.162 24.457 31.243 1.00 0.00 H new ATOM 0 H41 C A 12 29.593 23.594 25.751 1.00 0.00 H new ATOM 0 H42 C A 12 29.689 25.337 26.026 1.00 0.00 H new ATOM 0 H5 C A 12 30.500 21.977 27.309 1.00 0.00 H new ATOM 0 H6 C A 12 31.656 21.671 29.441 1.00 0.00 H new ATOM 398 P U A 13 29.523 21.069 34.073 1.00 0.00 P ATOM 399 OP1 U A 13 29.518 20.515 35.446 1.00 0.00 O ATOM 400 OP2 U A 13 29.075 20.215 32.950 1.00 0.00 O ATOM 401 O5' U A 13 28.669 22.433 34.056 1.00 0.00 O ATOM 402 C5' U A 13 28.749 23.353 35.147 1.00 0.00 C ATOM 403 C4' U A 13 28.038 24.673 34.867 1.00 0.00 C ATOM 404 O4' U A 13 28.669 25.397 33.807 1.00 0.00 O ATOM 405 C3' U A 13 26.586 24.445 34.464 1.00 0.00 C ATOM 406 O3' U A 13 25.715 24.317 35.592 1.00 0.00 O ATOM 407 C2' U A 13 26.290 25.704 33.657 1.00 0.00 C ATOM 408 O2' U A 13 25.814 26.766 34.487 1.00 0.00 O ATOM 409 C1' U A 13 27.645 26.042 33.045 1.00 0.00 C ATOM 410 N1 U A 13 27.697 25.629 31.629 1.00 0.00 N ATOM 411 C2 U A 13 27.371 26.583 30.682 1.00 0.00 C ATOM 412 O2 U A 13 27.075 27.737 30.982 1.00 0.00 O ATOM 413 N3 U A 13 27.392 26.162 29.360 1.00 0.00 N ATOM 414 C4 U A 13 27.706 24.883 28.920 1.00 0.00 C ATOM 415 O4 U A 13 27.671 24.606 27.723 1.00 0.00 O ATOM 416 C5 U A 13 28.035 23.961 29.981 1.00 0.00 C ATOM 417 C6 U A 13 28.019 24.352 31.273 1.00 0.00 C ATOM 0 H5' U A 13 29.797 23.552 35.371 1.00 0.00 H new ATOM 0 H5'' U A 13 28.314 22.894 36.035 1.00 0.00 H new ATOM 0 H4' U A 13 28.089 25.246 35.793 1.00 0.00 H new ATOM 0 H3' U A 13 26.429 23.516 33.915 1.00 0.00 H new ATOM 0 H2' U A 13 25.505 25.559 32.915 1.00 0.00 H new ATOM 0 HO2' U A 13 25.749 26.453 35.413 1.00 0.00 H new ATOM 0 H1' U A 13 27.801 27.120 33.074 1.00 0.00 H new ATOM 0 H3 U A 13 27.156 26.853 28.648 1.00 0.00 H new ATOM 0 H5 U A 13 28.298 22.942 29.737 1.00 0.00 H new ATOM 0 H6 U A 13 28.267 23.637 32.043 1.00 0.00 H new ATOM 428 P C A 14 24.316 23.531 35.462 1.00 0.00 P ATOM 429 OP1 C A 14 23.557 23.701 36.722 1.00 0.00 O ATOM 430 OP2 C A 14 24.582 22.162 34.966 1.00 0.00 O ATOM 431 O5' C A 14 23.572 24.354 34.297 1.00 0.00 O ATOM 432 C5' C A 14 23.077 25.673 34.542 1.00 0.00 C ATOM 433 C4' C A 14 22.556 26.345 33.276 1.00 0.00 C ATOM 434 O4' C A 14 23.591 26.505 32.302 1.00 0.00 O ATOM 435 C3' C A 14 21.461 25.505 32.627 1.00 0.00 C ATOM 436 O3' C A 14 20.180 25.751 33.213 1.00 0.00 O ATOM 437 C2' C A 14 21.528 25.994 31.184 1.00 0.00 C ATOM 438 O2' C A 14 20.683 27.129 30.982 1.00 0.00 O ATOM 439 C1' C A 14 22.997 26.364 31.009 1.00 0.00 C ATOM 440 N1 C A 14 23.699 25.341 30.209 1.00 0.00 N ATOM 441 C2 C A 14 24.008 25.655 28.899 1.00 0.00 C ATOM 442 O2 C A 14 23.774 26.780 28.461 1.00 0.00 O ATOM 443 N3 C A 14 24.595 24.708 28.123 1.00 0.00 N ATOM 444 C4 C A 14 24.878 23.495 28.614 1.00 0.00 C ATOM 445 N4 C A 14 25.452 22.584 27.829 1.00 0.00 N ATOM 446 C5 C A 14 24.571 23.161 29.973 1.00 0.00 C ATOM 447 C6 C A 14 23.986 24.113 30.731 1.00 0.00 C ATOM 0 H5' C A 14 23.872 26.282 34.972 1.00 0.00 H new ATOM 0 H5'' C A 14 22.277 25.626 35.280 1.00 0.00 H new ATOM 0 H4' C A 14 22.172 27.318 33.582 1.00 0.00 H new ATOM 0 H3' C A 14 21.599 24.430 32.741 1.00 0.00 H new ATOM 0 H2' C A 14 21.186 25.249 30.466 1.00 0.00 H new ATOM 0 HO2' C A 14 20.234 27.052 30.114 1.00 0.00 H new ATOM 0 H1' C A 14 23.079 27.308 30.471 1.00 0.00 H new ATOM 0 H41 C A 14 25.670 21.658 28.197 1.00 0.00 H new ATOM 0 H42 C A 14 25.673 22.813 26.860 1.00 0.00 H new ATOM 0 H5 C A 14 24.799 22.185 30.376 1.00 0.00 H new ATOM 0 H6 C A 14 23.743 23.900 31.762 1.00 0.00 H new ATOM 459 P C A 15 18.989 24.678 33.059 1.00 0.00 P ATOM 460 OP1 C A 15 17.963 24.966 34.086 1.00 0.00 O ATOM 461 OP2 C A 15 19.584 23.324 33.000 1.00 0.00 O ATOM 462 O5' C A 15 18.393 25.040 31.609 1.00 0.00 O ATOM 463 C5' C A 15 17.747 26.296 31.382 1.00 0.00 C ATOM 464 C4' C A 15 17.568 26.599 29.898 1.00 0.00 C ATOM 465 O4' C A 15 18.837 26.712 29.248 1.00 0.00 O ATOM 466 C3' C A 15 16.769 25.502 29.203 1.00 0.00 C ATOM 467 O3' C A 15 15.365 25.765 29.250 1.00 0.00 O ATOM 468 C2' C A 15 17.316 25.580 27.780 1.00 0.00 C ATOM 469 O2' C A 15 16.620 26.565 27.012 1.00 0.00 O ATOM 470 C1' C A 15 18.767 25.986 28.018 1.00 0.00 C ATOM 471 N1 C A 15 19.644 24.802 28.079 1.00 0.00 N ATOM 472 C2 C A 15 20.503 24.590 27.016 1.00 0.00 C ATOM 473 O2 C A 15 20.493 25.351 26.051 1.00 0.00 O ATOM 474 N3 C A 15 21.327 23.512 27.060 1.00 0.00 N ATOM 475 C4 C A 15 21.312 22.674 28.104 1.00 0.00 C ATOM 476 N4 C A 15 22.129 21.620 28.106 1.00 0.00 N ATOM 477 C5 C A 15 20.425 22.887 29.207 1.00 0.00 C ATOM 478 C6 C A 15 19.610 23.962 29.156 1.00 0.00 C ATOM 0 H5' C A 15 18.332 27.091 31.844 1.00 0.00 H new ATOM 0 H5'' C A 15 16.772 26.293 31.869 1.00 0.00 H new ATOM 0 H4' C A 15 17.027 27.543 29.827 1.00 0.00 H new ATOM 0 H3' C A 15 16.872 24.518 29.660 1.00 0.00 H new ATOM 0 H2' C A 15 17.207 24.654 27.215 1.00 0.00 H new ATOM 0 HO2' C A 15 15.773 26.785 27.452 1.00 0.00 H new ATOM 0 HO3' C A 15 14.882 25.044 28.795 1.00 0.00 H new ATOM 0 H1' C A 15 19.108 26.609 27.191 1.00 0.00 H new ATOM 0 H41 C A 15 22.127 20.974 28.896 1.00 0.00 H new ATOM 0 H42 C A 15 22.756 21.459 27.318 1.00 0.00 H new ATOM 0 H5 C A 15 20.408 22.212 30.050 1.00 0.00 H new ATOM 0 H6 C A 15 18.928 24.159 29.970 1.00 0.00 H new TER 491 C A 15