USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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= -0.681 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -77:sc= 0.226 USER MOD Single : A 3 A O2' : rot -15:sc= -0.701 USER MOD Single : A 4 G O2' : rot -17:sc= -0.518 USER MOD Single : A 5 U O2' : rot -5:sc= 0.121 USER MOD Single : A 6 U O2' : rot -14:sc= -0.455 USER MOD Single : A 7 C O2' : rot -8:sc= -0.45 USER MOD Single : A 8 C O2' : rot -30:sc= 0.186 USER MOD Single : A 8 C O3' : rot 180:sc= 0.181 USER MOD Single : B 9 G O2' : rot 180:sc= -0.514 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0129 USER MOD Single : B 10 G O2' : rot 180:sc= -0.541 USER MOD Single : B 11 A O2' : rot 180:sc= -1.03 USER MOD Single : B 12 G O2' : rot -26:sc= -0.152 USER MOD Single : B 13 U O2' : rot -7:sc= 0.0958 USER MOD Single : B 14 U O2' : rot -17:sc= -0.0229 USER MOD Single : B 15 C O2' : rot -15:sc= 0.0947 USER MOD Single : B 16 C O2' : rot -36:sc= 0.192 USER MOD Single : B 16 C O3' : rot 180:sc= 0.178 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.988 -8.105 3.206 1.00 0.00 O ATOM 2 C5' G A 1 6.323 -8.378 2.835 1.00 0.00 C ATOM 3 C4' G A 1 7.052 -7.078 2.484 1.00 0.00 C ATOM 4 O4' G A 1 6.446 -6.423 1.373 1.00 0.00 O ATOM 5 C3' G A 1 7.016 -6.056 3.603 1.00 0.00 C ATOM 6 O3' G A 1 7.924 -6.350 4.645 1.00 0.00 O ATOM 7 C2' G A 1 7.418 -4.825 2.837 1.00 0.00 C ATOM 8 O2' G A 1 8.803 -4.863 2.568 1.00 0.00 O ATOM 9 C1' G A 1 6.673 -5.012 1.524 1.00 0.00 C ATOM 10 N9 G A 1 5.389 -4.289 1.564 1.00 0.00 N ATOM 11 C8 G A 1 4.125 -4.770 1.792 1.00 0.00 C ATOM 12 N7 G A 1 3.194 -3.858 1.734 1.00 0.00 N ATOM 13 C5 G A 1 3.891 -2.687 1.448 1.00 0.00 C ATOM 14 C6 G A 1 3.414 -1.356 1.260 1.00 0.00 C ATOM 15 O6 G A 1 2.257 -0.946 1.310 1.00 0.00 O ATOM 16 N1 G A 1 4.455 -0.473 0.988 1.00 0.00 N ATOM 17 C2 G A 1 5.786 -0.821 0.908 1.00 0.00 C ATOM 18 N2 G A 1 6.651 0.164 0.651 1.00 0.00 N ATOM 19 N3 G A 1 6.235 -2.067 1.078 1.00 0.00 N ATOM 20 C4 G A 1 5.236 -2.944 1.345 1.00 0.00 C ATOM 0 H5' G A 1 6.339 -9.054 1.980 1.00 0.00 H new ATOM 0 H5'' G A 1 6.839 -8.883 3.652 1.00 0.00 H new ATOM 0 H4' G A 1 8.075 -7.393 2.276 1.00 0.00 H new ATOM 0 H3' G A 1 6.061 -5.990 4.125 1.00 0.00 H new ATOM 0 H2' G A 1 7.202 -3.894 3.361 1.00 0.00 H new ATOM 0 HO2' G A 1 9.061 -4.061 2.068 1.00 0.00 H new ATOM 0 HO5' G A 1 4.532 -8.944 3.426 1.00 0.00 H new ATOM 0 H1' G A 1 7.249 -4.619 0.686 1.00 0.00 H new ATOM 0 H8 G A 1 3.919 -5.809 2.001 1.00 0.00 H new ATOM 0 H1 G A 1 4.214 0.507 0.836 1.00 0.00 H new ATOM 0 H21 G A 1 7.648 -0.038 0.581 1.00 0.00 H new ATOM 0 H22 G A 1 6.314 1.118 0.525 1.00 0.00 H new ATOM 33 P G A 2 7.885 -5.516 6.026 1.00 0.00 P ATOM 34 OP1 G A 2 8.924 -6.066 6.924 1.00 0.00 O ATOM 35 OP2 G A 2 6.478 -5.462 6.481 1.00 0.00 O ATOM 36 O5' G A 2 8.329 -4.021 5.600 1.00 0.00 O ATOM 37 C5' G A 2 9.679 -3.716 5.314 1.00 0.00 C ATOM 38 C4' G A 2 9.835 -2.207 5.085 1.00 0.00 C ATOM 39 O4' G A 2 9.091 -1.731 3.968 1.00 0.00 O ATOM 40 C3' G A 2 9.356 -1.406 6.272 1.00 0.00 C ATOM 41 O3' G A 2 10.309 -1.396 7.316 1.00 0.00 O ATOM 42 C2' G A 2 9.178 -0.050 5.656 1.00 0.00 C ATOM 43 O2' G A 2 10.439 0.570 5.499 1.00 0.00 O ATOM 44 C1' G A 2 8.629 -0.403 4.281 1.00 0.00 C ATOM 45 N9 G A 2 7.160 -0.406 4.262 1.00 0.00 N ATOM 46 C8 G A 2 6.319 -1.478 4.338 1.00 0.00 C ATOM 47 N7 G A 2 5.057 -1.175 4.196 1.00 0.00 N ATOM 48 C5 G A 2 5.067 0.204 3.995 1.00 0.00 C ATOM 49 C6 G A 2 3.987 1.105 3.742 1.00 0.00 C ATOM 50 O6 G A 2 2.785 0.858 3.678 1.00 0.00 O ATOM 51 N1 G A 2 4.439 2.406 3.550 1.00 0.00 N ATOM 52 C2 G A 2 5.760 2.799 3.593 1.00 0.00 C ATOM 53 N2 G A 2 6.008 4.096 3.386 1.00 0.00 N ATOM 54 N3 G A 2 6.774 1.959 3.830 1.00 0.00 N ATOM 55 C4 G A 2 6.355 0.681 4.020 1.00 0.00 C ATOM 0 H5' G A 2 10.005 -4.263 4.429 1.00 0.00 H new ATOM 0 H5'' G A 2 10.316 -4.035 6.139 1.00 0.00 H new ATOM 0 H4' G A 2 10.903 -2.072 4.914 1.00 0.00 H new ATOM 0 H3' G A 2 8.456 -1.799 6.745 1.00 0.00 H new ATOM 0 H2' G A 2 8.550 0.624 6.239 1.00 0.00 H new ATOM 0 HO2' G A 2 10.747 0.909 6.365 1.00 0.00 H new ATOM 0 H1' G A 2 8.970 0.339 3.559 1.00 0.00 H new ATOM 0 H8 G A 2 6.667 -2.487 4.501 1.00 0.00 H new ATOM 0 H1 G A 2 3.740 3.125 3.363 1.00 0.00 H new ATOM 0 H21 G A 2 6.968 4.441 3.407 1.00 0.00 H new ATOM 0 H22 G A 2 5.238 4.740 3.207 1.00 0.00 H new ATOM 67 P A A 3 9.976 -0.698 8.720 1.00 0.00 P ATOM 68 OP1 A A 3 11.140 -0.872 9.617 1.00 0.00 O ATOM 69 OP2 A A 3 8.636 -1.155 9.153 1.00 0.00 O ATOM 70 O5' A A 3 9.875 0.858 8.321 1.00 0.00 O ATOM 71 C5' A A 3 9.015 1.713 9.029 1.00 0.00 C ATOM 72 C4' A A 3 9.055 3.127 8.445 1.00 0.00 C ATOM 73 O4' A A 3 8.625 3.167 7.080 1.00 0.00 O ATOM 74 C3' A A 3 8.104 3.998 9.238 1.00 0.00 C ATOM 75 O3' A A 3 8.771 4.629 10.313 1.00 0.00 O ATOM 76 C2' A A 3 7.622 4.994 8.216 1.00 0.00 C ATOM 77 O2' A A 3 8.597 5.997 8.030 1.00 0.00 O ATOM 78 C1' A A 3 7.577 4.136 6.950 1.00 0.00 C ATOM 79 N9 A A 3 6.302 3.416 6.841 1.00 0.00 N ATOM 80 C8 A A 3 6.085 2.069 6.930 1.00 0.00 C ATOM 81 N7 A A 3 4.841 1.719 6.759 1.00 0.00 N ATOM 82 C5 A A 3 4.191 2.925 6.510 1.00 0.00 C ATOM 83 C6 A A 3 2.855 3.240 6.211 1.00 0.00 C ATOM 84 N6 A A 3 1.885 2.323 6.149 1.00 0.00 N ATOM 85 N1 A A 3 2.558 4.529 5.957 1.00 0.00 N ATOM 86 C2 A A 3 3.529 5.438 6.008 1.00 0.00 C ATOM 87 N3 A A 3 4.816 5.269 6.289 1.00 0.00 N ATOM 88 C4 A A 3 5.080 3.964 6.535 1.00 0.00 C ATOM 0 H5' A A 3 9.305 1.740 10.079 1.00 0.00 H new ATOM 0 H5'' A A 3 7.997 1.327 8.989 1.00 0.00 H new ATOM 0 H4' A A 3 10.087 3.474 8.497 1.00 0.00 H new ATOM 0 H3' A A 3 7.289 3.442 9.700 1.00 0.00 H new ATOM 0 H2' A A 3 6.685 5.482 8.484 1.00 0.00 H new ATOM 0 HO2' A A 3 9.251 5.957 8.759 1.00 0.00 H new ATOM 0 H1' A A 3 7.689 4.768 6.069 1.00 0.00 H new ATOM 0 H8 A A 3 6.874 1.358 7.125 1.00 0.00 H new ATOM 0 H61 A A 3 0.930 2.605 5.928 1.00 0.00 H new ATOM 0 H62 A A 3 2.100 1.341 6.323 1.00 0.00 H new ATOM 0 H2 A A 3 3.229 6.453 5.791 1.00 0.00 H new ATOM 100 P G A 4 7.959 5.156 11.592 1.00 0.00 P ATOM 101 OP1 G A 4 8.877 5.970 12.419 1.00 0.00 O ATOM 102 OP2 G A 4 7.260 3.999 12.192 1.00 0.00 O ATOM 103 O5' G A 4 6.851 6.130 10.961 1.00 0.00 O ATOM 104 C5' G A 4 7.177 7.427 10.502 1.00 0.00 C ATOM 105 C4' G A 4 5.900 8.104 10.063 1.00 0.00 C ATOM 106 O4' G A 4 5.322 7.426 8.962 1.00 0.00 O ATOM 107 C3' G A 4 4.865 8.048 11.135 1.00 0.00 C ATOM 108 O3' G A 4 5.117 8.982 12.169 1.00 0.00 O ATOM 109 C2' G A 4 3.662 8.416 10.315 1.00 0.00 C ATOM 110 O2' G A 4 3.682 9.797 10.005 1.00 0.00 O ATOM 111 C1' G A 4 3.916 7.627 9.042 1.00 0.00 C ATOM 112 N9 G A 4 3.206 6.331 9.073 1.00 0.00 N ATOM 113 C8 G A 4 3.710 5.069 9.257 1.00 0.00 C ATOM 114 N7 G A 4 2.813 4.123 9.171 1.00 0.00 N ATOM 115 C5 G A 4 1.626 4.808 8.920 1.00 0.00 C ATOM 116 C6 G A 4 0.298 4.316 8.730 1.00 0.00 C ATOM 117 O6 G A 4 -0.102 3.151 8.726 1.00 0.00 O ATOM 118 N1 G A 4 -0.601 5.352 8.533 1.00 0.00 N ATOM 119 C2 G A 4 -0.280 6.689 8.496 1.00 0.00 C ATOM 120 N2 G A 4 -1.290 7.541 8.287 1.00 0.00 N ATOM 121 N3 G A 4 0.960 7.154 8.655 1.00 0.00 N ATOM 122 C4 G A 4 1.860 6.162 8.867 1.00 0.00 C ATOM 0 H5' G A 4 7.883 7.371 9.673 1.00 0.00 H new ATOM 0 H5'' G A 4 7.659 8.001 11.293 1.00 0.00 H new ATOM 0 H4' G A 4 6.173 9.130 9.816 1.00 0.00 H new ATOM 0 H3' G A 4 4.794 7.102 11.672 1.00 0.00 H new ATOM 0 H2' G A 4 2.712 8.212 10.809 1.00 0.00 H new ATOM 0 HO2' G A 4 4.303 10.258 10.607 1.00 0.00 H new ATOM 0 H1' G A 4 3.546 8.168 8.171 1.00 0.00 H new ATOM 0 H8 G A 4 4.754 4.875 9.455 1.00 0.00 H new ATOM 0 H1 G A 4 -1.582 5.103 8.405 1.00 0.00 H new ATOM 0 H21 G A 4 -1.111 8.545 8.250 1.00 0.00 H new ATOM 0 H22 G A 4 -2.239 7.187 8.165 1.00 0.00 H new ATOM 134 P U A 5 4.397 8.848 13.604 1.00 0.00 P ATOM 135 OP1 U A 5 4.678 10.077 14.379 1.00 0.00 O ATOM 136 OP2 U A 5 4.753 7.528 14.169 1.00 0.00 O ATOM 137 O5' U A 5 2.832 8.827 13.246 1.00 0.00 O ATOM 138 C5' U A 5 2.149 9.994 12.842 1.00 0.00 C ATOM 139 C4' U A 5 0.692 9.630 12.549 1.00 0.00 C ATOM 140 O4' U A 5 0.591 8.664 11.506 1.00 0.00 O ATOM 141 C3' U A 5 0.035 9.004 13.766 1.00 0.00 C ATOM 142 O3' U A 5 -0.465 9.977 14.674 1.00 0.00 O ATOM 143 C2' U A 5 -1.061 8.200 13.150 1.00 0.00 C ATOM 144 O2' U A 5 -2.180 9.025 12.899 1.00 0.00 O ATOM 145 C1' U A 5 -0.468 7.755 11.829 1.00 0.00 C ATOM 146 N1 U A 5 0.051 6.370 11.898 1.00 0.00 N ATOM 147 C2 U A 5 -0.852 5.339 11.686 1.00 0.00 C ATOM 148 O2 U A 5 -2.045 5.551 11.486 1.00 0.00 O ATOM 149 N3 U A 5 -0.334 4.053 11.707 1.00 0.00 N ATOM 150 C4 U A 5 1.005 3.723 11.878 1.00 0.00 C ATOM 151 O4 U A 5 1.363 2.548 11.887 1.00 0.00 O ATOM 152 C5 U A 5 1.879 4.871 12.026 1.00 0.00 C ATOM 153 C6 U A 5 1.386 6.121 12.035 1.00 0.00 C ATOM 0 H5' U A 5 2.618 10.419 11.955 1.00 0.00 H new ATOM 0 H5'' U A 5 2.200 10.752 13.624 1.00 0.00 H new ATOM 0 H4' U A 5 0.202 10.561 12.264 1.00 0.00 H new ATOM 0 H3' U A 5 0.724 8.416 14.373 1.00 0.00 H new ATOM 0 H2' U A 5 -1.393 7.377 13.783 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.010 9.923 13.253 1.00 0.00 H new ATOM 0 H1' U A 5 -1.242 7.763 11.061 1.00 0.00 H new ATOM 0 H3 U A 5 -0.992 3.283 11.587 1.00 0.00 H new ATOM 0 H5 U A 5 2.943 4.719 12.131 1.00 0.00 H new ATOM 0 H6 U A 5 2.065 6.952 12.154 1.00 0.00 H new ATOM 164 P U A 6 -1.036 9.549 16.130 1.00 0.00 P ATOM 165 OP1 U A 6 -1.223 10.782 16.926 1.00 0.00 O ATOM 166 OP2 U A 6 -0.171 8.468 16.652 1.00 0.00 O ATOM 167 O5' U A 6 -2.502 8.916 15.840 1.00 0.00 O ATOM 168 C5' U A 6 -3.641 9.745 15.653 1.00 0.00 C ATOM 169 C4' U A 6 -4.913 8.878 15.562 1.00 0.00 C ATOM 170 O4' U A 6 -4.905 8.050 14.404 1.00 0.00 O ATOM 171 C3' U A 6 -5.054 7.931 16.743 1.00 0.00 C ATOM 172 O3' U A 6 -5.589 8.554 17.894 1.00 0.00 O ATOM 173 C2' U A 6 -6.022 6.935 16.170 1.00 0.00 C ATOM 174 O2' U A 6 -7.326 7.480 16.160 1.00 0.00 O ATOM 175 C1' U A 6 -5.545 6.810 14.742 1.00 0.00 C ATOM 176 N1 U A 6 -4.577 5.702 14.608 1.00 0.00 N ATOM 177 C2 U A 6 -5.066 4.414 14.449 1.00 0.00 C ATOM 178 O2 U A 6 -6.266 4.155 14.497 1.00 0.00 O ATOM 179 N3 U A 6 -4.117 3.429 14.226 1.00 0.00 N ATOM 180 C4 U A 6 -2.747 3.622 14.135 1.00 0.00 C ATOM 181 O4 U A 6 -1.992 2.676 13.930 1.00 0.00 O ATOM 182 C5 U A 6 -2.337 4.997 14.302 1.00 0.00 C ATOM 183 C6 U A 6 -3.248 5.965 14.533 1.00 0.00 C ATOM 0 H5' U A 6 -3.527 10.335 14.743 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.729 10.449 16.481 1.00 0.00 H new ATOM 0 H4' U A 6 -5.735 9.594 15.537 1.00 0.00 H new ATOM 0 H3' U A 6 -4.106 7.523 17.094 1.00 0.00 H new ATOM 0 H2' U A 6 -6.058 5.997 16.724 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.351 8.278 16.728 1.00 0.00 H new ATOM 0 H1' U A 6 -6.385 6.600 14.080 1.00 0.00 H new ATOM 0 H3 U A 6 -4.458 2.474 14.119 1.00 0.00 H new ATOM 0 H5 U A 6 -1.290 5.253 14.241 1.00 0.00 H new ATOM 0 H6 U A 6 -2.908 6.982 14.662 1.00 0.00 H new ATOM 194 P C A 7 -5.556 7.805 19.327 1.00 0.00 P ATOM 195 OP1 C A 7 -6.284 8.647 20.302 1.00 0.00 O ATOM 196 OP2 C A 7 -4.155 7.415 19.599 1.00 0.00 O ATOM 197 O5' C A 7 -6.412 6.449 19.097 1.00 0.00 O ATOM 198 C5' C A 7 -7.827 6.462 19.094 1.00 0.00 C ATOM 199 C4' C A 7 -8.357 5.026 18.950 1.00 0.00 C ATOM 200 O4' C A 7 -7.955 4.419 17.717 1.00 0.00 O ATOM 201 C3' C A 7 -7.817 4.116 20.033 1.00 0.00 C ATOM 202 O3' C A 7 -8.482 4.290 21.272 1.00 0.00 O ATOM 203 C2' C A 7 -8.120 2.775 19.416 1.00 0.00 C ATOM 204 O2' C A 7 -9.499 2.501 19.531 1.00 0.00 O ATOM 205 C1' C A 7 -7.802 3.003 17.950 1.00 0.00 C ATOM 206 N1 C A 7 -6.417 2.568 17.628 1.00 0.00 N ATOM 207 C2 C A 7 -6.213 1.220 17.344 1.00 0.00 C ATOM 208 O2 C A 7 -7.146 0.422 17.410 1.00 0.00 O ATOM 209 N3 C A 7 -4.959 0.817 16.991 1.00 0.00 N ATOM 210 C4 C A 7 -3.949 1.695 16.920 1.00 0.00 C ATOM 211 N4 C A 7 -2.737 1.258 16.562 1.00 0.00 N ATOM 212 C5 C A 7 -4.148 3.086 17.207 1.00 0.00 C ATOM 213 C6 C A 7 -5.394 3.467 17.551 1.00 0.00 C ATOM 0 H5' C A 7 -8.193 7.079 18.274 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.198 6.906 20.017 1.00 0.00 H new ATOM 0 H4' C A 7 -9.441 5.126 19.008 1.00 0.00 H new ATOM 0 H3' C A 7 -6.771 4.285 20.288 1.00 0.00 H new ATOM 0 H2' C A 7 -7.570 1.954 19.877 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.921 3.180 20.098 1.00 0.00 H new ATOM 0 H1' C A 7 -8.468 2.421 17.314 1.00 0.00 H new ATOM 0 H41 C A 7 -1.956 1.912 16.502 1.00 0.00 H new ATOM 0 H42 C A 7 -2.593 0.271 16.348 1.00 0.00 H new ATOM 0 H5 C A 7 -3.336 3.796 17.150 1.00 0.00 H new ATOM 0 H6 C A 7 -5.587 4.507 17.770 1.00 0.00 H new ATOM 225 P C A 8 -7.913 3.602 22.618 1.00 0.00 P ATOM 226 OP1 C A 8 -8.848 3.907 23.724 1.00 0.00 O ATOM 227 OP2 C A 8 -6.484 3.964 22.745 1.00 0.00 O ATOM 228 O5' C A 8 -8.000 2.024 22.309 1.00 0.00 O ATOM 229 C5' C A 8 -9.230 1.331 22.370 1.00 0.00 C ATOM 230 C4' C A 8 -8.998 -0.131 21.977 1.00 0.00 C ATOM 231 O4' C A 8 -8.463 -0.240 20.661 1.00 0.00 O ATOM 232 C3' C A 8 -7.972 -0.795 22.868 1.00 0.00 C ATOM 233 O3' C A 8 -8.510 -1.180 24.115 1.00 0.00 O ATOM 234 C2' C A 8 -7.598 -1.990 22.027 1.00 0.00 C ATOM 235 O2' C A 8 -8.555 -3.014 22.193 1.00 0.00 O ATOM 236 C1' C A 8 -7.681 -1.445 20.601 1.00 0.00 C ATOM 237 N1 C A 8 -6.304 -1.154 20.129 1.00 0.00 N ATOM 238 C2 C A 8 -5.575 -2.199 19.572 1.00 0.00 C ATOM 239 O2 C A 8 -6.090 -3.305 19.422 1.00 0.00 O ATOM 240 N3 C A 8 -4.282 -1.962 19.209 1.00 0.00 N ATOM 241 C4 C A 8 -3.727 -0.754 19.390 1.00 0.00 C ATOM 242 N4 C A 8 -2.458 -0.562 19.016 1.00 0.00 N ATOM 243 C5 C A 8 -4.463 0.322 19.982 1.00 0.00 C ATOM 244 C6 C A 8 -5.741 0.069 20.330 1.00 0.00 C ATOM 0 H5' C A 8 -9.955 1.791 21.699 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.646 1.389 23.376 1.00 0.00 H new ATOM 0 H4' C A 8 -9.975 -0.606 22.061 1.00 0.00 H new ATOM 0 H3' C A 8 -7.136 -0.150 23.139 1.00 0.00 H new ATOM 0 H2' C A 8 -6.625 -2.410 22.283 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.943 -2.957 23.091 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.812 -1.606 24.655 1.00 0.00 H new ATOM 0 H1' C A 8 -8.140 -2.155 19.913 1.00 0.00 H new ATOM 0 H41 C A 8 -2.020 0.350 19.146 1.00 0.00 H new ATOM 0 H42 C A 8 -1.927 -1.328 18.600 1.00 0.00 H new ATOM 0 H5 C A 8 -4.015 1.292 20.142 1.00 0.00 H new ATOM 0 H6 C A 8 -6.331 0.854 20.778 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.477 -8.752 16.234 1.00 0.00 O ATOM 259 C5' G B 9 2.906 -10.035 16.377 1.00 0.00 C ATOM 260 C4' G B 9 1.413 -9.911 16.690 1.00 0.00 C ATOM 261 O4' G B 9 1.193 -9.220 17.921 1.00 0.00 O ATOM 262 C3' G B 9 0.661 -9.108 15.649 1.00 0.00 C ATOM 263 O3' G B 9 0.401 -9.838 14.467 1.00 0.00 O ATOM 264 C2' G B 9 -0.598 -8.813 16.419 1.00 0.00 C ATOM 265 O2' G B 9 -1.396 -9.975 16.499 1.00 0.00 O ATOM 266 C1' G B 9 -0.050 -8.507 17.804 1.00 0.00 C ATOM 267 N9 G B 9 0.182 -7.055 17.936 1.00 0.00 N ATOM 268 C8 G B 9 1.352 -6.349 17.822 1.00 0.00 C ATOM 269 N7 G B 9 1.214 -5.064 17.997 1.00 0.00 N ATOM 270 C5 G B 9 -0.146 -4.904 18.245 1.00 0.00 C ATOM 271 C6 G B 9 -0.897 -3.721 18.510 1.00 0.00 C ATOM 272 O6 G B 9 -0.495 -2.562 18.578 1.00 0.00 O ATOM 273 N1 G B 9 -2.245 -4.003 18.708 1.00 0.00 N ATOM 274 C2 G B 9 -2.805 -5.261 18.652 1.00 0.00 C ATOM 275 N2 G B 9 -4.124 -5.342 18.856 1.00 0.00 N ATOM 276 N3 G B 9 -2.105 -6.372 18.403 1.00 0.00 N ATOM 277 C4 G B 9 -0.785 -6.119 18.210 1.00 0.00 C ATOM 0 H5' G B 9 3.410 -10.579 17.176 1.00 0.00 H new ATOM 0 H5'' G B 9 3.048 -10.609 15.461 1.00 0.00 H new ATOM 0 H4' G B 9 1.055 -10.940 16.723 1.00 0.00 H new ATOM 0 H3' G B 9 1.198 -8.236 15.277 1.00 0.00 H new ATOM 0 H2' G B 9 -1.208 -8.024 15.979 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.213 -9.777 17.002 1.00 0.00 H new ATOM 0 HO5' G B 9 4.433 -8.840 16.036 1.00 0.00 H new ATOM 0 H1' G B 9 -0.748 -8.809 18.585 1.00 0.00 H new ATOM 0 H8 G B 9 2.302 -6.815 17.607 1.00 0.00 H new ATOM 0 H1 G B 9 -2.866 -3.219 18.910 1.00 0.00 H new ATOM 0 H21 G B 9 -4.590 -6.249 18.826 1.00 0.00 H new ATOM 0 H22 G B 9 -4.664 -4.497 19.042 1.00 0.00 H new ATOM 290 P G B 10 -0.193 -9.099 13.157 1.00 0.00 P ATOM 291 OP1 G B 10 -0.316 -10.105 12.079 1.00 0.00 O ATOM 292 OP2 G B 10 0.603 -7.873 12.928 1.00 0.00 O ATOM 293 O5' G B 10 -1.682 -8.654 13.600 1.00 0.00 O ATOM 294 C5' G B 10 -2.720 -9.605 13.710 1.00 0.00 C ATOM 295 C4' G B 10 -4.036 -8.912 14.084 1.00 0.00 C ATOM 296 O4' G B 10 -3.971 -8.238 15.344 1.00 0.00 O ATOM 297 C3' G B 10 -4.445 -7.853 13.083 1.00 0.00 C ATOM 298 O3' G B 10 -5.005 -8.394 11.903 1.00 0.00 O ATOM 299 C2' G B 10 -5.466 -7.109 13.899 1.00 0.00 C ATOM 300 O2' G B 10 -6.648 -7.873 14.026 1.00 0.00 O ATOM 301 C1' G B 10 -4.778 -7.046 15.245 1.00 0.00 C ATOM 302 N9 G B 10 -3.905 -5.863 15.336 1.00 0.00 N ATOM 303 C8 G B 10 -2.548 -5.802 15.199 1.00 0.00 C ATOM 304 N7 G B 10 -2.047 -4.613 15.390 1.00 0.00 N ATOM 305 C5 G B 10 -3.158 -3.825 15.681 1.00 0.00 C ATOM 306 C6 G B 10 -3.240 -2.436 16.000 1.00 0.00 C ATOM 307 O6 G B 10 -2.328 -1.616 16.077 1.00 0.00 O ATOM 308 N1 G B 10 -4.551 -2.043 16.245 1.00 0.00 N ATOM 309 C2 G B 10 -5.648 -2.876 16.199 1.00 0.00 C ATOM 310 N2 G B 10 -6.836 -2.321 16.464 1.00 0.00 N ATOM 311 N3 G B 10 -5.575 -4.181 15.905 1.00 0.00 N ATOM 312 C4 G B 10 -4.302 -4.585 15.657 1.00 0.00 C ATOM 0 H5' G B 10 -2.464 -10.348 14.466 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.837 -10.138 12.766 1.00 0.00 H new ATOM 0 H4' G B 10 -4.756 -9.730 14.112 1.00 0.00 H new ATOM 0 H3' G B 10 -3.620 -7.250 12.704 1.00 0.00 H new ATOM 0 H2' G B 10 -5.754 -6.147 13.476 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.302 -7.377 14.560 1.00 0.00 H new ATOM 0 H1' G B 10 -5.514 -6.978 16.046 1.00 0.00 H new ATOM 0 H8 G B 10 -1.943 -6.662 14.954 1.00 0.00 H new ATOM 0 H1 G B 10 -4.713 -1.063 16.477 1.00 0.00 H new ATOM 0 H21 G B 10 -7.681 -2.892 16.444 1.00 0.00 H new ATOM 0 H22 G B 10 -6.896 -1.327 16.686 1.00 0.00 H new ATOM 324 P A B 11 -5.216 -7.471 10.593 1.00 0.00 P ATOM 325 OP1 A B 11 -5.896 -8.285 9.562 1.00 0.00 O ATOM 326 OP2 A B 11 -3.922 -6.825 10.280 1.00 0.00 O ATOM 327 O5' A B 11 -6.239 -6.324 11.083 1.00 0.00 O ATOM 328 C5' A B 11 -7.608 -6.605 11.277 1.00 0.00 C ATOM 329 C4' A B 11 -8.341 -5.336 11.723 1.00 0.00 C ATOM 330 O4' A B 11 -7.841 -4.819 12.952 1.00 0.00 O ATOM 331 C3' A B 11 -8.219 -4.213 10.715 1.00 0.00 C ATOM 332 O3' A B 11 -9.103 -4.387 9.625 1.00 0.00 O ATOM 333 C2' A B 11 -8.609 -3.032 11.574 1.00 0.00 C ATOM 334 O2' A B 11 -10.007 -3.031 11.779 1.00 0.00 O ATOM 335 C1' A B 11 -7.946 -3.386 12.909 1.00 0.00 C ATOM 336 N9 A B 11 -6.592 -2.827 12.971 1.00 0.00 N ATOM 337 C8 A B 11 -5.406 -3.476 12.793 1.00 0.00 C ATOM 338 N7 A B 11 -4.357 -2.715 12.935 1.00 0.00 N ATOM 339 C5 A B 11 -4.895 -1.470 13.246 1.00 0.00 C ATOM 340 C6 A B 11 -4.311 -0.225 13.539 1.00 0.00 C ATOM 341 N6 A B 11 -2.989 -0.019 13.544 1.00 0.00 N ATOM 342 N1 A B 11 -5.135 0.796 13.838 1.00 0.00 N ATOM 343 C2 A B 11 -6.449 0.589 13.839 1.00 0.00 C ATOM 344 N3 A B 11 -7.117 -0.526 13.576 1.00 0.00 N ATOM 345 C4 A B 11 -6.261 -1.533 13.282 1.00 0.00 C ATOM 0 H5' A B 11 -7.725 -7.386 12.028 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.045 -6.983 10.353 1.00 0.00 H new ATOM 0 H4' A B 11 -9.379 -5.651 11.830 1.00 0.00 H new ATOM 0 H3' A B 11 -7.240 -4.128 10.244 1.00 0.00 H new ATOM 0 H2' A B 11 -8.325 -2.070 11.148 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.255 -2.265 12.337 1.00 0.00 H new ATOM 0 H1' A B 11 -8.531 -2.987 13.738 1.00 0.00 H new ATOM 0 H8 A B 11 -5.341 -4.528 12.555 1.00 0.00 H new ATOM 0 H61 A B 11 -2.618 0.905 13.764 1.00 0.00 H new ATOM 0 H62 A B 11 -2.353 -0.786 13.328 1.00 0.00 H new ATOM 0 H2 A B 11 -7.055 1.447 14.088 1.00 0.00 H new ATOM 357 P G B 12 -8.911 -3.548 8.263 1.00 0.00 P ATOM 358 OP1 G B 12 -10.057 -3.843 7.374 1.00 0.00 O ATOM 359 OP2 G B 12 -7.531 -3.775 7.780 1.00 0.00 O ATOM 360 O5' G B 12 -9.025 -2.016 8.737 1.00 0.00 O ATOM 361 C5' G B 12 -10.268 -1.451 9.098 1.00 0.00 C ATOM 362 C4' G B 12 -10.060 -0.003 9.476 1.00 0.00 C ATOM 363 O4' G B 12 -9.223 0.108 10.614 1.00 0.00 O ATOM 364 C3' G B 12 -9.355 0.763 8.406 1.00 0.00 C ATOM 365 O3' G B 12 -10.204 1.069 7.313 1.00 0.00 O ATOM 366 C2' G B 12 -9.019 1.985 9.209 1.00 0.00 C ATOM 367 O2' G B 12 -10.198 2.729 9.445 1.00 0.00 O ATOM 368 C1' G B 12 -8.576 1.371 10.527 1.00 0.00 C ATOM 369 N9 G B 12 -7.110 1.205 10.572 1.00 0.00 N ATOM 370 C8 G B 12 -6.364 0.064 10.433 1.00 0.00 C ATOM 371 N7 G B 12 -5.079 0.250 10.576 1.00 0.00 N ATOM 372 C5 G B 12 -4.964 1.617 10.822 1.00 0.00 C ATOM 373 C6 G B 12 -3.804 2.420 11.057 1.00 0.00 C ATOM 374 O6 G B 12 -2.622 2.075 11.107 1.00 0.00 O ATOM 375 N1 G B 12 -4.140 3.753 11.240 1.00 0.00 N ATOM 376 C2 G B 12 -5.418 4.262 11.219 1.00 0.00 C ATOM 377 N2 G B 12 -5.542 5.578 11.422 1.00 0.00 N ATOM 378 N3 G B 12 -6.506 3.517 11.011 1.00 0.00 N ATOM 379 C4 G B 12 -6.205 2.208 10.816 1.00 0.00 C ATOM 0 H5' G B 12 -10.702 -2.000 9.934 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.971 -1.526 8.268 1.00 0.00 H new ATOM 0 H4' G B 12 -11.060 0.393 9.653 1.00 0.00 H new ATOM 0 H3' G B 12 -8.518 0.252 7.931 1.00 0.00 H new ATOM 0 H2' G B 12 -8.291 2.643 8.735 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.847 2.549 8.733 1.00 0.00 H new ATOM 0 H1' G B 12 -8.842 2.016 11.365 1.00 0.00 H new ATOM 0 H8 G B 12 -6.799 -0.902 10.224 1.00 0.00 H new ATOM 0 H1 G B 12 -3.377 4.410 11.404 1.00 0.00 H new ATOM 0 H21 G B 12 -6.466 6.010 11.417 1.00 0.00 H new ATOM 0 H22 G B 12 -4.713 6.150 11.582 1.00 0.00 H new ATOM 391 P U B 13 -9.599 1.541 5.892 1.00 0.00 P ATOM 392 OP1 U B 13 -10.721 2.002 5.044 1.00 0.00 O ATOM 393 OP2 U B 13 -8.702 0.472 5.403 1.00 0.00 O ATOM 394 O5' U B 13 -8.691 2.818 6.260 1.00 0.00 O ATOM 395 C5' U B 13 -9.262 4.072 6.574 1.00 0.00 C ATOM 396 C4' U B 13 -8.138 5.054 6.909 1.00 0.00 C ATOM 397 O4' U B 13 -7.364 4.605 8.019 1.00 0.00 O ATOM 398 C3' U B 13 -7.170 5.194 5.748 1.00 0.00 C ATOM 399 O3' U B 13 -7.612 6.148 4.790 1.00 0.00 O ATOM 400 C2' U B 13 -5.920 5.633 6.436 1.00 0.00 C ATOM 401 O2' U B 13 -5.958 7.027 6.661 1.00 0.00 O ATOM 402 C1' U B 13 -5.987 4.916 7.769 1.00 0.00 C ATOM 403 N1 U B 13 -5.174 3.679 7.765 1.00 0.00 N ATOM 404 C2 U B 13 -3.820 3.807 8.026 1.00 0.00 C ATOM 405 O2 U B 13 -3.297 4.902 8.217 1.00 0.00 O ATOM 406 N3 U B 13 -3.085 2.631 8.066 1.00 0.00 N ATOM 407 C4 U B 13 -3.602 1.350 7.910 1.00 0.00 C ATOM 408 O4 U B 13 -2.866 0.368 7.958 1.00 0.00 O ATOM 409 C5 U B 13 -5.038 1.317 7.705 1.00 0.00 C ATOM 410 C6 U B 13 -5.755 2.451 7.637 1.00 0.00 C ATOM 0 H5' U B 13 -9.944 3.976 7.419 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.848 4.442 5.732 1.00 0.00 H new ATOM 0 H4' U B 13 -8.627 6.002 7.134 1.00 0.00 H new ATOM 0 H3' U B 13 -7.053 4.278 5.168 1.00 0.00 H new ATOM 0 H2' U B 13 -5.019 5.415 5.863 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.746 7.408 6.221 1.00 0.00 H new ATOM 0 H1' U B 13 -5.581 5.557 8.552 1.00 0.00 H new ATOM 0 H3 U B 13 -2.081 2.713 8.223 1.00 0.00 H new ATOM 0 H5 U B 13 -5.539 0.365 7.605 1.00 0.00 H new ATOM 0 H6 U B 13 -6.821 2.389 7.477 1.00 0.00 H new ATOM 421 P U B 14 -6.836 6.343 3.381 1.00 0.00 P ATOM 422 OP1 U B 14 -7.683 7.184 2.506 1.00 0.00 O ATOM 423 OP2 U B 14 -6.407 5.006 2.915 1.00 0.00 O ATOM 424 O5' U B 14 -5.503 7.194 3.748 1.00 0.00 O ATOM 425 C5' U B 14 -5.552 8.601 3.938 1.00 0.00 C ATOM 426 C4' U B 14 -4.124 9.156 4.112 1.00 0.00 C ATOM 427 O4' U B 14 -3.504 8.663 5.294 1.00 0.00 O ATOM 428 C3' U B 14 -3.206 8.757 2.968 1.00 0.00 C ATOM 429 O3' U B 14 -3.361 9.570 1.820 1.00 0.00 O ATOM 430 C2' U B 14 -1.875 8.996 3.617 1.00 0.00 C ATOM 431 O2' U B 14 -1.635 10.385 3.694 1.00 0.00 O ATOM 432 C1' U B 14 -2.107 8.482 5.018 1.00 0.00 C ATOM 433 N1 U B 14 -1.765 7.049 5.130 1.00 0.00 N ATOM 434 C2 U B 14 -0.434 6.697 5.306 1.00 0.00 C ATOM 435 O2 U B 14 0.475 7.522 5.269 1.00 0.00 O ATOM 436 N3 U B 14 -0.188 5.350 5.535 1.00 0.00 N ATOM 437 C4 U B 14 -1.147 4.350 5.620 1.00 0.00 C ATOM 438 O4 U B 14 -0.823 3.186 5.833 1.00 0.00 O ATOM 439 C5 U B 14 -2.500 4.819 5.439 1.00 0.00 C ATOM 440 C6 U B 14 -2.752 6.121 5.199 1.00 0.00 C ATOM 0 H5' U B 14 -6.153 8.838 4.816 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.035 9.076 3.084 1.00 0.00 H new ATOM 0 H4' U B 14 -4.251 10.238 4.151 1.00 0.00 H new ATOM 0 H3' U B 14 -3.382 7.750 2.590 1.00 0.00 H new ATOM 0 H2' U B 14 -1.041 8.532 3.091 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.236 10.855 3.079 1.00 0.00 H new ATOM 0 H1' U B 14 -1.477 9.022 5.725 1.00 0.00 H new ATOM 0 H3 U B 14 0.786 5.070 5.651 1.00 0.00 H new ATOM 0 H5 U B 14 -3.320 4.118 5.497 1.00 0.00 H new ATOM 0 H6 U B 14 -3.775 6.436 5.057 1.00 0.00 H new ATOM 451 P C B 15 -2.697 9.140 0.408 1.00 0.00 P ATOM 452 OP1 C B 15 -2.928 10.235 -0.560 1.00 0.00 O ATOM 453 OP2 C B 15 -3.162 7.772 0.090 1.00 0.00 O ATOM 454 O5' C B 15 -1.106 9.064 0.710 1.00 0.00 O ATOM 455 C5' C B 15 -0.300 10.229 0.731 1.00 0.00 C ATOM 456 C4' C B 15 1.168 9.835 0.942 1.00 0.00 C ATOM 457 O4' C B 15 1.374 9.136 2.177 1.00 0.00 O ATOM 458 C3' C B 15 1.654 8.891 -0.135 1.00 0.00 C ATOM 459 O3' C B 15 1.958 9.562 -1.346 1.00 0.00 O ATOM 460 C2' C B 15 2.891 8.358 0.536 1.00 0.00 C ATOM 461 O2' C B 15 3.898 9.346 0.507 1.00 0.00 O ATOM 462 C1' C B 15 2.443 8.186 1.975 1.00 0.00 C ATOM 463 N1 C B 15 1.966 6.802 2.232 1.00 0.00 N ATOM 464 C2 C B 15 2.922 5.833 2.529 1.00 0.00 C ATOM 465 O2 C B 15 4.118 6.113 2.511 1.00 0.00 O ATOM 466 N3 C B 15 2.492 4.577 2.841 1.00 0.00 N ATOM 467 C4 C B 15 1.184 4.282 2.862 1.00 0.00 C ATOM 468 N4 C B 15 0.807 3.040 3.185 1.00 0.00 N ATOM 469 C5 C B 15 0.192 5.273 2.561 1.00 0.00 C ATOM 470 C6 C B 15 0.635 6.509 2.257 1.00 0.00 C ATOM 0 H5' C B 15 -0.627 10.895 1.529 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.409 10.776 -0.205 1.00 0.00 H new ATOM 0 H4' C B 15 1.711 10.780 0.929 1.00 0.00 H new ATOM 0 H3' C B 15 0.929 8.137 -0.443 1.00 0.00 H new ATOM 0 H2' C B 15 3.280 7.452 0.072 1.00 0.00 H new ATOM 0 HO2' C B 15 3.658 10.039 -0.144 1.00 0.00 H new ATOM 0 H1' C B 15 3.271 8.359 2.663 1.00 0.00 H new ATOM 0 H41 C B 15 -0.183 2.797 3.206 1.00 0.00 H new ATOM 0 H42 C B 15 1.510 2.336 3.410 1.00 0.00 H new ATOM 0 H5 C B 15 -0.862 5.039 2.577 1.00 0.00 H new ATOM 0 H6 C B 15 -0.081 7.285 2.028 1.00 0.00 H new ATOM 482 P C B 16 2.187 8.734 -2.716 1.00 0.00 P ATOM 483 OP1 C B 16 2.546 9.695 -3.782 1.00 0.00 O ATOM 484 OP2 C B 16 1.029 7.833 -2.901 1.00 0.00 O ATOM 485 O5' C B 16 3.479 7.823 -2.407 1.00 0.00 O ATOM 486 C5' C B 16 4.788 8.351 -2.490 1.00 0.00 C ATOM 487 C4' C B 16 5.786 7.259 -2.102 1.00 0.00 C ATOM 488 O4' C B 16 5.542 6.777 -0.783 1.00 0.00 O ATOM 489 C3' C B 16 5.659 6.043 -2.991 1.00 0.00 C ATOM 490 O3' C B 16 6.303 6.215 -4.234 1.00 0.00 O ATOM 491 C2' C B 16 6.359 5.008 -2.151 1.00 0.00 C ATOM 492 O2' C B 16 7.757 5.125 -2.321 1.00 0.00 O ATOM 493 C1' C B 16 5.984 5.411 -0.726 1.00 0.00 C ATOM 494 N1 C B 16 4.889 4.520 -0.269 1.00 0.00 N ATOM 495 C2 C B 16 5.242 3.282 0.254 1.00 0.00 C ATOM 496 O2 C B 16 6.425 2.989 0.411 1.00 0.00 O ATOM 497 N3 C B 16 4.244 2.409 0.574 1.00 0.00 N ATOM 498 C4 C B 16 2.957 2.734 0.385 1.00 0.00 C ATOM 499 N4 C B 16 2.010 1.849 0.710 1.00 0.00 N ATOM 500 C5 C B 16 2.584 4.003 -0.165 1.00 0.00 C ATOM 501 C6 C B 16 3.585 4.853 -0.473 1.00 0.00 C ATOM 0 H5' C B 16 4.891 9.210 -1.826 1.00 0.00 H new ATOM 0 H5'' C B 16 4.989 8.704 -3.502 1.00 0.00 H new ATOM 0 H4' C B 16 6.768 7.723 -2.192 1.00 0.00 H new ATOM 0 H3' C B 16 4.632 5.799 -3.261 1.00 0.00 H new ATOM 0 H2' C B 16 6.083 3.984 -2.403 1.00 0.00 H new ATOM 0 HO2' C B 16 7.954 5.370 -3.249 1.00 0.00 H new ATOM 0 HO3' C B 16 6.196 5.404 -4.773 1.00 0.00 H new ATOM 0 H1' C B 16 6.820 5.321 -0.032 1.00 0.00 H new ATOM 0 H41 C B 16 1.026 2.081 0.572 1.00 0.00 H new ATOM 0 H42 C B 16 2.271 0.942 1.096 1.00 0.00 H new ATOM 0 H5 C B 16 1.549 4.267 -0.326 1.00 0.00 H new ATOM 0 H6 C B 16 3.346 5.820 -0.891 1.00 0.00 H new TER 514 C B 16