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 -21:sc= 0.0129 USER MOD Single : A 1 G O5' : rot 17:sc= 0.0452 USER MOD Single : A 2 A O2' : rot -16:sc= 0.00976 USER MOD Single : A 3 G O2' : rot -19:sc= 0.0103 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -16:sc= 0.0348 USER MOD Single : A 6 C O2' : rot -18:sc= 0.0847 USER MOD Single : A 7 A O2' : rot -15:sc= 0.626 USER MOD Single : A 8 U O2' : rot 19:sc= 0.0607 USER MOD Single : A 9 A O2' : rot -81:sc= 0.904 USER MOD Single : A 10 G O2' : rot -20:sc= 0.57 USER MOD Single : A 11 U O2' : rot -28:sc= 0.0145 USER MOD Single : A 12 C O2' : rot -17:sc= 0.0226 USER MOD Single : A 13 U O2' : rot -116:sc= 0.171 USER MOD Single : A 14 U O2' : rot -119:sc= 0.0118 USER MOD Single : A 15 C O2' : rot -18:sc= 0.042 USER MOD Single : A 15 C O3' : rot 180:sc= 0.0293 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -1.468 -7.016 13.280 1.00 0.00 O ATOM 2 C5' G A 1 -1.851 -8.064 12.411 1.00 0.00 C ATOM 3 C4' G A 1 -0.625 -8.830 11.889 1.00 0.00 C ATOM 4 O4' G A 1 -1.029 -9.938 11.093 1.00 0.00 O ATOM 5 C3' G A 1 0.292 -7.988 10.991 1.00 0.00 C ATOM 6 O3' G A 1 1.172 -7.157 11.739 1.00 0.00 O ATOM 7 C2' G A 1 0.989 -9.086 10.182 1.00 0.00 C ATOM 8 O2' G A 1 2.039 -9.731 10.887 1.00 0.00 O ATOM 9 C1' G A 1 -0.168 -10.065 9.962 1.00 0.00 C ATOM 10 N9 G A 1 -0.909 -9.789 8.699 1.00 0.00 N ATOM 11 C8 G A 1 -2.147 -9.217 8.523 1.00 0.00 C ATOM 12 N7 G A 1 -2.533 -9.131 7.281 1.00 0.00 N ATOM 13 C5 G A 1 -1.480 -9.689 6.561 1.00 0.00 C ATOM 14 C6 G A 1 -1.311 -9.879 5.141 1.00 0.00 C ATOM 15 O6 G A 1 -2.085 -9.577 4.235 1.00 0.00 O ATOM 16 N1 G A 1 -0.094 -10.489 4.803 1.00 0.00 N ATOM 17 C2 G A 1 0.857 -10.870 5.739 1.00 0.00 C ATOM 18 N2 G A 1 1.967 -11.433 5.269 1.00 0.00 N ATOM 19 N3 G A 1 0.705 -10.696 7.070 1.00 0.00 N ATOM 20 C4 G A 1 -0.481 -10.100 7.427 1.00 0.00 C ATOM 0 H5' G A 1 -2.413 -7.656 11.571 1.00 0.00 H new ATOM 0 H5'' G A 1 -2.516 -8.750 12.936 1.00 0.00 H new ATOM 0 H4' G A 1 -0.085 -9.129 12.787 1.00 0.00 H new ATOM 0 H3' G A 1 -0.219 -7.256 10.365 1.00 0.00 H new ATOM 0 H2' G A 1 1.470 -8.701 9.283 1.00 0.00 H new ATOM 0 HO2' G A 1 2.352 -9.150 11.611 1.00 0.00 H new ATOM 0 HO5' G A 1 -0.513 -6.828 13.165 1.00 0.00 H new ATOM 0 H1' G A 1 0.216 -11.080 9.864 1.00 0.00 H new ATOM 0 H8 G A 1 -2.751 -8.867 9.347 1.00 0.00 H new ATOM 0 H1 G A 1 0.102 -10.662 3.817 1.00 0.00 H new ATOM 0 H21 G A 1 2.699 -11.732 5.913 1.00 0.00 H new ATOM 0 H22 G A 1 2.086 -11.565 4.265 1.00 0.00 H new ATOM 33 P A A 2 1.781 -5.783 11.136 1.00 0.00 P ATOM 34 OP1 A A 2 2.635 -5.174 12.180 1.00 0.00 O ATOM 35 OP2 A A 2 0.663 -5.004 10.561 1.00 0.00 O ATOM 36 O5' A A 2 2.720 -6.292 9.918 1.00 0.00 O ATOM 37 C5' A A 2 3.971 -6.926 10.141 1.00 0.00 C ATOM 38 C4' A A 2 4.573 -7.482 8.840 1.00 0.00 C ATOM 39 O4' A A 2 3.710 -8.413 8.198 1.00 0.00 O ATOM 40 C3' A A 2 4.876 -6.412 7.785 1.00 0.00 C ATOM 41 O3' A A 2 6.046 -5.664 8.096 1.00 0.00 O ATOM 42 C2' A A 2 4.983 -7.286 6.531 1.00 0.00 C ATOM 43 O2' A A 2 6.231 -7.956 6.410 1.00 0.00 O ATOM 44 C1' A A 2 3.863 -8.309 6.783 1.00 0.00 C ATOM 45 N9 A A 2 2.593 -7.873 6.135 1.00 0.00 N ATOM 46 C8 A A 2 1.450 -7.360 6.706 1.00 0.00 C ATOM 47 N7 A A 2 0.505 -7.066 5.856 1.00 0.00 N ATOM 48 C5 A A 2 1.050 -7.406 4.619 1.00 0.00 C ATOM 49 C6 A A 2 0.569 -7.354 3.276 1.00 0.00 C ATOM 50 N6 A A 2 -0.644 -6.907 2.937 1.00 0.00 N ATOM 51 N1 A A 2 1.369 -7.780 2.267 1.00 0.00 N ATOM 52 C2 A A 2 2.591 -8.237 2.567 1.00 0.00 C ATOM 53 N3 A A 2 3.159 -8.341 3.777 1.00 0.00 N ATOM 54 C4 A A 2 2.329 -7.905 4.782 1.00 0.00 C ATOM 0 H5' A A 2 3.844 -7.737 10.858 1.00 0.00 H new ATOM 0 H5'' A A 2 4.665 -6.213 10.586 1.00 0.00 H new ATOM 0 H4' A A 2 5.497 -7.950 9.179 1.00 0.00 H new ATOM 0 H3' A A 2 4.134 -5.619 7.691 1.00 0.00 H new ATOM 0 H2' A A 2 4.901 -6.706 5.612 1.00 0.00 H new ATOM 0 HO2' A A 2 6.885 -7.541 7.011 1.00 0.00 H new ATOM 0 H1' A A 2 4.116 -9.278 6.353 1.00 0.00 H new ATOM 0 H8 A A 2 1.344 -7.213 7.771 1.00 0.00 H new ATOM 0 H61 A A 2 -0.928 -6.896 1.957 1.00 0.00 H new ATOM 0 H62 A A 2 -1.286 -6.577 3.658 1.00 0.00 H new ATOM 0 H2 A A 2 3.193 -8.562 1.732 1.00 0.00 H new ATOM 66 P G A 3 6.277 -4.152 7.560 1.00 0.00 P ATOM 67 OP1 G A 3 7.522 -3.640 8.174 1.00 0.00 O ATOM 68 OP2 G A 3 5.016 -3.395 7.727 1.00 0.00 O ATOM 69 O5' G A 3 6.525 -4.358 5.974 1.00 0.00 O ATOM 70 C5' G A 3 7.730 -4.908 5.465 1.00 0.00 C ATOM 71 C4' G A 3 7.656 -5.133 3.948 1.00 0.00 C ATOM 72 O4' G A 3 6.575 -5.983 3.588 1.00 0.00 O ATOM 73 C3' G A 3 7.445 -3.856 3.127 1.00 0.00 C ATOM 74 O3' G A 3 8.617 -3.053 3.045 1.00 0.00 O ATOM 75 C2' G A 3 6.995 -4.469 1.796 1.00 0.00 C ATOM 76 O2' G A 3 8.066 -4.957 1.000 1.00 0.00 O ATOM 77 C1' G A 3 6.127 -5.644 2.277 1.00 0.00 C ATOM 78 N9 G A 3 4.683 -5.274 2.273 1.00 0.00 N ATOM 79 C8 G A 3 3.850 -4.979 3.327 1.00 0.00 C ATOM 80 N7 G A 3 2.625 -4.692 2.982 1.00 0.00 N ATOM 81 C5 G A 3 2.629 -4.798 1.592 1.00 0.00 C ATOM 82 C6 G A 3 1.571 -4.605 0.628 1.00 0.00 C ATOM 83 O6 G A 3 0.396 -4.302 0.822 1.00 0.00 O ATOM 84 N1 G A 3 1.986 -4.803 -0.694 1.00 0.00 N ATOM 85 C2 G A 3 3.276 -5.153 -1.050 1.00 0.00 C ATOM 86 N2 G A 3 3.509 -5.304 -2.353 1.00 0.00 N ATOM 87 N3 G A 3 4.271 -5.344 -0.157 1.00 0.00 N ATOM 88 C4 G A 3 3.892 -5.154 1.151 1.00 0.00 C ATOM 0 H5' G A 3 7.937 -5.855 5.964 1.00 0.00 H new ATOM 0 H5'' G A 3 8.560 -4.240 5.694 1.00 0.00 H new ATOM 0 H4' G A 3 8.628 -5.570 3.720 1.00 0.00 H new ATOM 0 H3' G A 3 6.733 -3.143 3.543 1.00 0.00 H new ATOM 0 H2' G A 3 6.497 -3.740 1.156 1.00 0.00 H new ATOM 0 HO2' G A 3 8.906 -4.550 1.298 1.00 0.00 H new ATOM 0 H1' G A 3 6.227 -6.500 1.610 1.00 0.00 H new ATOM 0 H8 G A 3 4.182 -4.984 4.355 1.00 0.00 H new ATOM 0 H1 G A 3 1.298 -4.682 -1.437 1.00 0.00 H new ATOM 0 H21 G A 3 4.441 -5.562 -2.678 1.00 0.00 H new ATOM 0 H22 G A 3 2.755 -5.162 -3.026 1.00 0.00 H new ATOM 100 P G A 4 8.556 -1.455 2.767 1.00 0.00 P ATOM 101 OP1 G A 4 9.940 -0.933 2.832 1.00 0.00 O ATOM 102 OP2 G A 4 7.513 -0.867 3.636 1.00 0.00 O ATOM 103 O5' G A 4 8.036 -1.360 1.236 1.00 0.00 O ATOM 104 C5' G A 4 8.874 -1.678 0.136 1.00 0.00 C ATOM 105 C4' G A 4 8.089 -1.736 -1.183 1.00 0.00 C ATOM 106 O4' G A 4 7.007 -2.659 -1.118 1.00 0.00 O ATOM 107 C3' G A 4 7.461 -0.406 -1.619 1.00 0.00 C ATOM 108 O3' G A 4 8.411 0.514 -2.149 1.00 0.00 O ATOM 109 C2' G A 4 6.446 -0.929 -2.643 1.00 0.00 C ATOM 110 O2' G A 4 7.021 -1.276 -3.896 1.00 0.00 O ATOM 111 C1' G A 4 5.939 -2.196 -1.942 1.00 0.00 C ATOM 112 N9 G A 4 4.707 -1.927 -1.147 1.00 0.00 N ATOM 113 C8 G A 4 4.546 -1.818 0.215 1.00 0.00 C ATOM 114 N7 G A 4 3.321 -1.589 0.597 1.00 0.00 N ATOM 115 C5 G A 4 2.597 -1.535 -0.592 1.00 0.00 C ATOM 116 C6 G A 4 1.191 -1.311 -0.830 1.00 0.00 C ATOM 117 O6 G A 4 0.300 -1.115 -0.007 1.00 0.00 O ATOM 118 N1 G A 4 0.848 -1.331 -2.188 1.00 0.00 N ATOM 119 C2 G A 4 1.766 -1.544 -3.206 1.00 0.00 C ATOM 120 N2 G A 4 1.293 -1.530 -4.451 1.00 0.00 N ATOM 121 N3 G A 4 3.081 -1.760 -2.992 1.00 0.00 N ATOM 122 C4 G A 4 3.444 -1.744 -1.667 1.00 0.00 C ATOM 0 H5' G A 4 9.357 -2.639 0.313 1.00 0.00 H new ATOM 0 H5'' G A 4 9.666 -0.933 0.055 1.00 0.00 H new ATOM 0 H4' G A 4 8.852 -2.033 -1.902 1.00 0.00 H new ATOM 0 H3' G A 4 7.022 0.190 -0.819 1.00 0.00 H new ATOM 0 H2' G A 4 5.692 -0.182 -2.892 1.00 0.00 H new ATOM 0 HO2' G A 4 6.320 -1.602 -4.499 1.00 0.00 H new ATOM 0 H1' G A 4 5.657 -2.956 -2.671 1.00 0.00 H new ATOM 0 H8 G A 4 5.367 -1.914 0.910 1.00 0.00 H new ATOM 0 H1 G A 4 -0.128 -1.181 -2.442 1.00 0.00 H new ATOM 0 H21 G A 4 1.924 -1.681 -5.238 1.00 0.00 H new ATOM 0 H22 G A 4 0.300 -1.368 -4.617 1.00 0.00 H new ATOM 134 P A A 5 8.130 2.112 -2.220 1.00 0.00 P ATOM 135 OP1 A A 5 9.341 2.761 -2.771 1.00 0.00 O ATOM 136 OP2 A A 5 7.597 2.559 -0.913 1.00 0.00 O ATOM 137 O5' A A 5 6.936 2.246 -3.303 1.00 0.00 O ATOM 138 C5' A A 5 7.144 2.049 -4.695 1.00 0.00 C ATOM 139 C4' A A 5 5.816 2.088 -5.469 1.00 0.00 C ATOM 140 O4' A A 5 4.884 1.135 -4.975 1.00 0.00 O ATOM 141 C3' A A 5 5.108 3.444 -5.395 1.00 0.00 C ATOM 142 O3' A A 5 5.682 4.376 -6.305 1.00 0.00 O ATOM 143 C2' A A 5 3.665 3.046 -5.720 1.00 0.00 C ATOM 144 O2' A A 5 3.397 2.937 -7.111 1.00 0.00 O ATOM 145 C1' A A 5 3.564 1.664 -5.057 1.00 0.00 C ATOM 146 N9 A A 5 2.934 1.741 -3.708 1.00 0.00 N ATOM 147 C8 A A 5 3.506 1.599 -2.463 1.00 0.00 C ATOM 148 N7 A A 5 2.668 1.691 -1.468 1.00 0.00 N ATOM 149 C5 A A 5 1.440 1.913 -2.086 1.00 0.00 C ATOM 150 C6 A A 5 0.112 2.103 -1.602 1.00 0.00 C ATOM 151 N6 A A 5 -0.207 2.097 -0.305 1.00 0.00 N ATOM 152 N1 A A 5 -0.893 2.311 -2.487 1.00 0.00 N ATOM 153 C2 A A 5 -0.604 2.324 -3.794 1.00 0.00 C ATOM 154 N3 A A 5 0.591 2.150 -4.376 1.00 0.00 N ATOM 155 C4 A A 5 1.594 1.948 -3.458 1.00 0.00 C ATOM 0 H5' A A 5 7.635 1.090 -4.859 1.00 0.00 H new ATOM 0 H5'' A A 5 7.813 2.820 -5.078 1.00 0.00 H new ATOM 0 H4' A A 5 6.107 1.871 -6.497 1.00 0.00 H new ATOM 0 H3' A A 5 5.189 3.964 -4.441 1.00 0.00 H new ATOM 0 H2' A A 5 2.950 3.791 -5.371 1.00 0.00 H new ATOM 0 HO2' A A 5 4.108 3.383 -7.617 1.00 0.00 H new ATOM 0 H1' A A 5 2.924 1.013 -5.653 1.00 0.00 H new ATOM 0 H8 A A 5 4.563 1.426 -2.322 1.00 0.00 H new ATOM 0 H61 A A 5 -1.175 2.238 -0.017 1.00 0.00 H new ATOM 0 H62 A A 5 0.518 1.951 0.398 1.00 0.00 H new ATOM 0 H2 A A 5 -1.436 2.496 -4.461 1.00 0.00 H new ATOM 167 P C A 6 5.833 5.945 -5.947 1.00 0.00 P ATOM 168 OP1 C A 6 6.424 6.623 -7.123 1.00 0.00 O ATOM 169 OP2 C A 6 6.511 6.038 -4.635 1.00 0.00 O ATOM 170 O5' C A 6 4.291 6.432 -5.781 1.00 0.00 O ATOM 171 C5' C A 6 3.418 6.560 -6.898 1.00 0.00 C ATOM 172 C4' C A 6 1.951 6.767 -6.483 1.00 0.00 C ATOM 173 O4' C A 6 1.499 5.702 -5.661 1.00 0.00 O ATOM 174 C3' C A 6 1.690 8.040 -5.675 1.00 0.00 C ATOM 175 O3' C A 6 1.602 9.201 -6.498 1.00 0.00 O ATOM 176 C2' C A 6 0.368 7.686 -4.983 1.00 0.00 C ATOM 177 O2' C A 6 -0.776 7.982 -5.770 1.00 0.00 O ATOM 178 C1' C A 6 0.473 6.163 -4.788 1.00 0.00 C ATOM 179 N1 C A 6 0.723 5.809 -3.349 1.00 0.00 N ATOM 180 C2 C A 6 -0.363 5.860 -2.442 1.00 0.00 C ATOM 181 O2 C A 6 -1.494 6.190 -2.801 1.00 0.00 O ATOM 182 N3 C A 6 -0.155 5.539 -1.127 1.00 0.00 N ATOM 183 C4 C A 6 1.063 5.180 -0.690 1.00 0.00 C ATOM 184 N4 C A 6 1.201 4.873 0.597 1.00 0.00 N ATOM 185 C5 C A 6 2.190 5.111 -1.588 1.00 0.00 C ATOM 186 C6 C A 6 1.980 5.435 -2.894 1.00 0.00 C ATOM 0 H5' C A 6 3.494 5.666 -7.518 1.00 0.00 H new ATOM 0 H5'' C A 6 3.740 7.401 -7.511 1.00 0.00 H new ATOM 0 H4' C A 6 1.423 6.827 -7.435 1.00 0.00 H new ATOM 0 H3' C A 6 2.489 8.303 -4.982 1.00 0.00 H new ATOM 0 H2' C A 6 0.238 8.260 -4.066 1.00 0.00 H new ATOM 0 HO2' C A 6 -0.533 8.618 -6.474 1.00 0.00 H new ATOM 0 H1' C A 6 -0.466 5.669 -5.038 1.00 0.00 H new ATOM 0 H41 C A 6 2.113 4.596 0.960 1.00 0.00 H new ATOM 0 H42 C A 6 0.395 4.914 1.220 1.00 0.00 H new ATOM 0 H5 C A 6 3.167 4.813 -1.237 1.00 0.00 H new ATOM 0 H6 C A 6 2.806 5.400 -3.588 1.00 0.00 H new ATOM 198 P A A 7 2.378 10.585 -6.163 1.00 0.00 P ATOM 199 OP1 A A 7 1.752 11.659 -6.966 1.00 0.00 O ATOM 200 OP2 A A 7 3.829 10.330 -6.289 1.00 0.00 O ATOM 201 O5' A A 7 2.068 10.875 -4.601 1.00 0.00 O ATOM 202 C5' A A 7 0.766 11.150 -4.105 1.00 0.00 C ATOM 203 C4' A A 7 0.719 11.060 -2.567 1.00 0.00 C ATOM 204 O4' A A 7 1.227 9.802 -2.137 1.00 0.00 O ATOM 205 C3' A A 7 1.535 12.153 -1.854 1.00 0.00 C ATOM 206 O3' A A 7 0.842 12.540 -0.672 1.00 0.00 O ATOM 207 C2' A A 7 2.852 11.420 -1.568 1.00 0.00 C ATOM 208 O2' A A 7 3.604 11.935 -0.485 1.00 0.00 O ATOM 209 C1' A A 7 2.366 9.989 -1.308 1.00 0.00 C ATOM 210 N9 A A 7 3.397 8.971 -1.636 1.00 0.00 N ATOM 211 C8 A A 7 4.025 8.761 -2.841 1.00 0.00 C ATOM 212 N7 A A 7 4.878 7.781 -2.841 1.00 0.00 N ATOM 213 C5 A A 7 4.824 7.286 -1.544 1.00 0.00 C ATOM 214 C6 A A 7 5.497 6.222 -0.871 1.00 0.00 C ATOM 215 N6 A A 7 6.398 5.431 -1.465 1.00 0.00 N ATOM 216 N1 A A 7 5.215 5.984 0.434 1.00 0.00 N ATOM 217 C2 A A 7 4.312 6.763 1.046 1.00 0.00 C ATOM 218 N3 A A 7 3.614 7.787 0.528 1.00 0.00 N ATOM 219 C4 A A 7 3.916 8.008 -0.794 1.00 0.00 C ATOM 0 H5' A A 7 0.055 10.444 -4.534 1.00 0.00 H new ATOM 0 H5'' A A 7 0.457 12.146 -4.422 1.00 0.00 H new ATOM 0 H4' A A 7 -0.330 11.192 -2.301 1.00 0.00 H new ATOM 0 H3' A A 7 1.695 13.076 -2.411 1.00 0.00 H new ATOM 0 H2' A A 7 3.560 11.521 -2.391 1.00 0.00 H new ATOM 0 HO2' A A 7 3.270 12.826 -0.249 1.00 0.00 H new ATOM 0 H1' A A 7 2.138 9.863 -0.250 1.00 0.00 H new ATOM 0 H8 A A 7 3.825 9.362 -3.716 1.00 0.00 H new ATOM 0 H61 A A 7 6.849 4.685 -0.936 1.00 0.00 H new ATOM 0 H62 A A 7 6.634 5.574 -2.447 1.00 0.00 H new ATOM 0 H2 A A 7 4.122 6.539 2.085 1.00 0.00 H new ATOM 231 P U A 8 0.847 14.060 -0.118 1.00 0.00 P ATOM 232 OP1 U A 8 0.208 14.934 -1.127 1.00 0.00 O ATOM 233 OP2 U A 8 2.211 14.365 0.368 1.00 0.00 O ATOM 234 O5' U A 8 -0.129 13.936 1.163 1.00 0.00 O ATOM 235 C5' U A 8 -1.507 13.604 1.038 1.00 0.00 C ATOM 236 C4' U A 8 -2.047 12.901 2.295 1.00 0.00 C ATOM 237 O4' U A 8 -1.309 11.710 2.520 1.00 0.00 O ATOM 238 C3' U A 8 -1.962 13.731 3.590 1.00 0.00 C ATOM 239 O3' U A 8 -3.090 13.478 4.433 1.00 0.00 O ATOM 240 C2' U A 8 -0.663 13.201 4.209 1.00 0.00 C ATOM 241 O2' U A 8 -0.560 13.400 5.608 1.00 0.00 O ATOM 242 C1' U A 8 -0.728 11.727 3.814 1.00 0.00 C ATOM 243 N1 U A 8 0.609 11.054 3.826 1.00 0.00 N ATOM 244 C2 U A 8 0.982 10.292 4.954 1.00 0.00 C ATOM 245 O2 U A 8 0.279 10.159 5.955 1.00 0.00 O ATOM 246 N3 U A 8 2.231 9.666 4.904 1.00 0.00 N ATOM 247 C4 U A 8 3.130 9.733 3.839 1.00 0.00 C ATOM 248 O4 U A 8 4.202 9.141 3.902 1.00 0.00 O ATOM 249 C5 U A 8 2.671 10.539 2.713 1.00 0.00 C ATOM 250 C6 U A 8 1.459 11.162 2.734 1.00 0.00 C ATOM 0 H5' U A 8 -1.647 12.957 0.172 1.00 0.00 H new ATOM 0 H5'' U A 8 -2.083 14.511 0.854 1.00 0.00 H new ATOM 0 H4' U A 8 -3.102 12.723 2.088 1.00 0.00 H new ATOM 0 H3' U A 8 -1.966 14.810 3.435 1.00 0.00 H new ATOM 0 H2' U A 8 0.226 13.722 3.855 1.00 0.00 H new ATOM 0 HO2' U A 8 -1.451 13.563 5.982 1.00 0.00 H new ATOM 0 H1' U A 8 -1.317 11.163 4.537 1.00 0.00 H new ATOM 0 H3 U A 8 2.509 9.113 5.715 1.00 0.00 H new ATOM 0 H5 U A 8 3.305 10.644 1.845 1.00 0.00 H new ATOM 0 H6 U A 8 1.153 11.752 1.883 1.00 0.00 H new ATOM 261 P A A 9 -4.517 14.226 4.240 1.00 0.00 P ATOM 262 OP1 A A 9 -4.957 14.065 2.834 1.00 0.00 O ATOM 263 OP2 A A 9 -4.384 15.587 4.804 1.00 0.00 O ATOM 264 O5' A A 9 -5.561 13.406 5.183 1.00 0.00 O ATOM 265 C5' A A 9 -5.523 11.999 5.412 1.00 0.00 C ATOM 266 C4' A A 9 -5.721 11.126 4.156 1.00 0.00 C ATOM 267 O4' A A 9 -4.515 11.026 3.412 1.00 0.00 O ATOM 268 C3' A A 9 -6.050 9.667 4.491 1.00 0.00 C ATOM 269 O3' A A 9 -7.404 9.443 4.867 1.00 0.00 O ATOM 270 C2' A A 9 -5.670 8.972 3.179 1.00 0.00 C ATOM 271 O2' A A 9 -6.679 9.039 2.183 1.00 0.00 O ATOM 272 C1' A A 9 -4.472 9.794 2.706 1.00 0.00 C ATOM 273 N9 A A 9 -3.169 9.131 2.965 1.00 0.00 N ATOM 274 C8 A A 9 -2.657 8.655 4.150 1.00 0.00 C ATOM 275 N7 A A 9 -1.454 8.161 4.058 1.00 0.00 N ATOM 276 C5 A A 9 -1.129 8.326 2.713 1.00 0.00 C ATOM 277 C6 A A 9 0.023 8.019 1.932 1.00 0.00 C ATOM 278 N6 A A 9 1.118 7.441 2.430 1.00 0.00 N ATOM 279 N1 A A 9 0.033 8.318 0.611 1.00 0.00 N ATOM 280 C2 A A 9 -1.053 8.893 0.079 1.00 0.00 C ATOM 281 N3 A A 9 -2.195 9.229 0.696 1.00 0.00 N ATOM 282 C4 A A 9 -2.176 8.915 2.034 1.00 0.00 C ATOM 0 H5' A A 9 -6.295 11.744 6.138 1.00 0.00 H new ATOM 0 H5'' A A 9 -4.564 11.746 5.864 1.00 0.00 H new ATOM 0 H4' A A 9 -6.533 11.612 3.614 1.00 0.00 H new ATOM 0 H3' A A 9 -5.520 9.298 5.369 1.00 0.00 H new ATOM 0 H2' A A 9 -5.491 7.909 3.338 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.349 8.343 2.349 1.00 0.00 H new ATOM 0 H1' A A 9 -4.542 9.923 1.626 1.00 0.00 H new ATOM 0 H8 A A 9 -3.206 8.688 5.079 1.00 0.00 H new ATOM 0 H61 A A 9 1.913 7.245 1.822 1.00 0.00 H new ATOM 0 H62 A A 9 1.160 7.195 3.419 1.00 0.00 H new ATOM 0 H2 A A 9 -1.003 9.113 -0.977 1.00 0.00 H new ATOM 294 P G A 10 -7.805 8.421 6.059 1.00 0.00 P ATOM 295 OP1 G A 10 -7.891 9.216 7.304 1.00 0.00 O ATOM 296 OP2 G A 10 -6.901 7.246 6.007 1.00 0.00 O ATOM 297 O5' G A 10 -9.317 7.959 5.666 1.00 0.00 O ATOM 298 C5' G A 10 -9.638 6.704 5.068 1.00 0.00 C ATOM 299 C4' G A 10 -9.425 6.663 3.540 1.00 0.00 C ATOM 300 O4' G A 10 -8.051 6.842 3.219 1.00 0.00 O ATOM 301 C3' G A 10 -9.830 5.303 2.938 1.00 0.00 C ATOM 302 O3' G A 10 -10.391 5.534 1.645 1.00 0.00 O ATOM 303 C2' G A 10 -8.462 4.599 2.907 1.00 0.00 C ATOM 304 O2' G A 10 -8.396 3.465 2.067 1.00 0.00 O ATOM 305 C1' G A 10 -7.579 5.759 2.438 1.00 0.00 C ATOM 306 N9 G A 10 -6.119 5.555 2.643 1.00 0.00 N ATOM 307 C8 G A 10 -5.454 5.168 3.780 1.00 0.00 C ATOM 308 N7 G A 10 -4.161 5.066 3.645 1.00 0.00 N ATOM 309 C5 G A 10 -3.929 5.426 2.321 1.00 0.00 C ATOM 310 C6 G A 10 -2.697 5.510 1.571 1.00 0.00 C ATOM 311 O6 G A 10 -1.554 5.265 1.951 1.00 0.00 O ATOM 312 N1 G A 10 -2.881 5.928 0.247 1.00 0.00 N ATOM 313 C2 G A 10 -4.123 6.234 -0.292 1.00 0.00 C ATOM 314 N2 G A 10 -4.149 6.609 -1.569 1.00 0.00 N ATOM 315 N3 G A 10 -5.279 6.153 0.400 1.00 0.00 N ATOM 316 C4 G A 10 -5.128 5.739 1.702 1.00 0.00 C ATOM 0 H5' G A 10 -10.679 6.465 5.286 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.029 5.927 5.530 1.00 0.00 H new ATOM 0 H4' G A 10 -10.044 7.462 3.131 1.00 0.00 H new ATOM 0 H3' G A 10 -10.583 4.721 3.469 1.00 0.00 H new ATOM 0 H2' G A 10 -8.175 4.153 3.859 1.00 0.00 H new ATOM 0 HO2' G A 10 -9.301 3.131 1.897 1.00 0.00 H new ATOM 0 H1' G A 10 -7.656 5.900 1.360 1.00 0.00 H new ATOM 0 H8 G A 10 -5.961 4.964 4.712 1.00 0.00 H new ATOM 0 H1 G A 10 -2.060 6.012 -0.352 1.00 0.00 H new ATOM 0 H21 G A 10 -5.036 6.845 -2.013 1.00 0.00 H new ATOM 0 H22 G A 10 -3.282 6.660 -2.103 1.00 0.00 H new ATOM 328 P U A 11 -11.326 4.469 0.857 1.00 0.00 P ATOM 329 OP1 U A 11 -12.659 5.082 0.675 1.00 0.00 O ATOM 330 OP2 U A 11 -11.209 3.138 1.503 1.00 0.00 O ATOM 331 O5' U A 11 -10.574 4.454 -0.581 1.00 0.00 O ATOM 332 C5' U A 11 -10.009 3.280 -1.146 1.00 0.00 C ATOM 333 C4' U A 11 -9.168 3.623 -2.386 1.00 0.00 C ATOM 334 O4' U A 11 -8.085 4.499 -2.076 1.00 0.00 O ATOM 335 C3' U A 11 -8.529 2.376 -3.006 1.00 0.00 C ATOM 336 O3' U A 11 -9.421 1.662 -3.856 1.00 0.00 O ATOM 337 C2' U A 11 -7.327 2.989 -3.729 1.00 0.00 C ATOM 338 O2' U A 11 -7.663 3.604 -4.964 1.00 0.00 O ATOM 339 C1' U A 11 -6.887 4.054 -2.716 1.00 0.00 C ATOM 340 N1 U A 11 -5.863 3.527 -1.748 1.00 0.00 N ATOM 341 C2 U A 11 -4.528 3.382 -2.190 1.00 0.00 C ATOM 342 O2 U A 11 -4.156 3.641 -3.335 1.00 0.00 O ATOM 343 N3 U A 11 -3.601 2.915 -1.258 1.00 0.00 N ATOM 344 C4 U A 11 -3.881 2.573 0.064 1.00 0.00 C ATOM 345 O4 U A 11 -2.988 2.168 0.801 1.00 0.00 O ATOM 346 C5 U A 11 -5.275 2.748 0.447 1.00 0.00 C ATOM 347 C6 U A 11 -6.200 3.210 -0.438 1.00 0.00 C ATOM 0 H5' U A 11 -10.802 2.584 -1.420 1.00 0.00 H new ATOM 0 H5'' U A 11 -9.386 2.778 -0.406 1.00 0.00 H new ATOM 0 H4' U A 11 -9.868 4.094 -3.076 1.00 0.00 H new ATOM 0 H3' U A 11 -8.250 1.605 -2.288 1.00 0.00 H new ATOM 0 H2' U A 11 -6.576 2.246 -3.998 1.00 0.00 H new ATOM 0 HO2' U A 11 -8.455 3.168 -5.341 1.00 0.00 H new ATOM 0 H1' U A 11 -6.382 4.887 -3.206 1.00 0.00 H new ATOM 0 H3 U A 11 -2.635 2.815 -1.571 1.00 0.00 H new ATOM 0 H5 U A 11 -5.581 2.506 1.454 1.00 0.00 H new ATOM 0 H6 U A 11 -7.223 3.333 -0.113 1.00 0.00 H new ATOM 358 P C A 12 -9.301 0.062 -4.084 1.00 0.00 P ATOM 359 OP1 C A 12 -10.350 -0.341 -5.047 1.00 0.00 O ATOM 360 OP2 C A 12 -9.241 -0.590 -2.757 1.00 0.00 O ATOM 361 O5' C A 12 -7.853 -0.117 -4.787 1.00 0.00 O ATOM 362 C5' C A 12 -7.605 0.268 -6.132 1.00 0.00 C ATOM 363 C4' C A 12 -6.118 0.141 -6.495 1.00 0.00 C ATOM 364 O4' C A 12 -5.290 0.921 -5.640 1.00 0.00 O ATOM 365 C3' C A 12 -5.573 -1.287 -6.397 1.00 0.00 C ATOM 366 O3' C A 12 -5.957 -2.096 -7.506 1.00 0.00 O ATOM 367 C2' C A 12 -4.072 -1.000 -6.315 1.00 0.00 C ATOM 368 O2' C A 12 -3.473 -0.732 -7.574 1.00 0.00 O ATOM 369 C1' C A 12 -4.034 0.269 -5.446 1.00 0.00 C ATOM 370 N1 C A 12 -3.742 -0.054 -4.004 1.00 0.00 N ATOM 371 C2 C A 12 -2.439 -0.492 -3.655 1.00 0.00 C ATOM 372 O2 C A 12 -1.550 -0.628 -4.496 1.00 0.00 O ATOM 373 N3 C A 12 -2.157 -0.780 -2.347 1.00 0.00 N ATOM 374 C4 C A 12 -3.091 -0.651 -1.391 1.00 0.00 C ATOM 375 N4 C A 12 -2.747 -0.945 -0.140 1.00 0.00 N ATOM 376 C5 C A 12 -4.430 -0.214 -1.708 1.00 0.00 C ATOM 377 C6 C A 12 -4.706 0.073 -3.012 1.00 0.00 C ATOM 0 H5' C A 12 -7.929 1.298 -6.281 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.198 -0.353 -6.803 1.00 0.00 H new ATOM 0 H4' C A 12 -6.083 0.487 -7.528 1.00 0.00 H new ATOM 0 H3' C A 12 -5.951 -1.874 -5.560 1.00 0.00 H new ATOM 0 H2' C A 12 -3.519 -1.855 -5.926 1.00 0.00 H new ATOM 0 HO2' C A 12 -4.066 -1.040 -8.291 1.00 0.00 H new ATOM 0 H1' C A 12 -3.222 0.935 -5.739 1.00 0.00 H new ATOM 0 H41 C A 12 -3.432 -0.858 0.611 1.00 0.00 H new ATOM 0 H42 C A 12 -1.799 -1.257 0.068 1.00 0.00 H new ATOM 0 H5 C A 12 -5.184 -0.118 -0.941 1.00 0.00 H new ATOM 0 H6 C A 12 -5.698 0.407 -3.280 1.00 0.00 H new ATOM 389 P U A 13 -6.067 -3.711 -7.407 1.00 0.00 P ATOM 390 OP1 U A 13 -6.483 -4.220 -8.733 1.00 0.00 O ATOM 391 OP2 U A 13 -6.870 -4.050 -6.211 1.00 0.00 O ATOM 392 O5' U A 13 -4.544 -4.183 -7.126 1.00 0.00 O ATOM 393 C5' U A 13 -3.536 -4.160 -8.128 1.00 0.00 C ATOM 394 C4' U A 13 -2.145 -4.433 -7.532 1.00 0.00 C ATOM 395 O4' U A 13 -1.817 -3.503 -6.507 1.00 0.00 O ATOM 396 C3' U A 13 -1.998 -5.814 -6.885 1.00 0.00 C ATOM 397 O3' U A 13 -1.859 -6.853 -7.849 1.00 0.00 O ATOM 398 C2' U A 13 -0.766 -5.574 -6.006 1.00 0.00 C ATOM 399 O2' U A 13 0.465 -5.648 -6.709 1.00 0.00 O ATOM 400 C1' U A 13 -0.999 -4.135 -5.522 1.00 0.00 C ATOM 401 N1 U A 13 -1.603 -4.119 -4.143 1.00 0.00 N ATOM 402 C2 U A 13 -0.738 -4.290 -3.039 1.00 0.00 C ATOM 403 O2 U A 13 0.476 -4.459 -3.150 1.00 0.00 O ATOM 404 N3 U A 13 -1.319 -4.271 -1.768 1.00 0.00 N ATOM 405 C4 U A 13 -2.679 -4.115 -1.505 1.00 0.00 C ATOM 406 O4 U A 13 -3.088 -4.122 -0.348 1.00 0.00 O ATOM 407 C5 U A 13 -3.507 -3.953 -2.694 1.00 0.00 C ATOM 408 C6 U A 13 -2.967 -3.961 -3.944 1.00 0.00 C ATOM 0 H5' U A 13 -3.537 -3.190 -8.624 1.00 0.00 H new ATOM 0 H5'' U A 13 -3.760 -4.907 -8.889 1.00 0.00 H new ATOM 0 H4' U A 13 -1.484 -4.353 -8.395 1.00 0.00 H new ATOM 0 H3' U A 13 -2.862 -6.166 -6.321 1.00 0.00 H new ATOM 0 H2' U A 13 -0.674 -6.329 -5.225 1.00 0.00 H new ATOM 0 HO2' U A 13 0.993 -6.399 -6.366 1.00 0.00 H new ATOM 0 H1' U A 13 -0.063 -3.585 -5.421 1.00 0.00 H new ATOM 0 H3 U A 13 -0.697 -4.380 -0.967 1.00 0.00 H new ATOM 0 H5 U A 13 -4.573 -3.824 -2.581 1.00 0.00 H new ATOM 0 H6 U A 13 -3.615 -3.842 -4.800 1.00 0.00 H new ATOM 419 P U A 14 -2.151 -8.411 -7.502 1.00 0.00 P ATOM 420 OP1 U A 14 -2.105 -9.177 -8.767 1.00 0.00 O ATOM 421 OP2 U A 14 -3.356 -8.487 -6.646 1.00 0.00 O ATOM 422 O5' U A 14 -0.880 -8.831 -6.594 1.00 0.00 O ATOM 423 C5' U A 14 0.416 -9.040 -7.138 1.00 0.00 C ATOM 424 C4' U A 14 1.460 -9.243 -6.029 1.00 0.00 C ATOM 425 O4' U A 14 1.519 -8.127 -5.150 1.00 0.00 O ATOM 426 C3' U A 14 1.195 -10.451 -5.122 1.00 0.00 C ATOM 427 O3' U A 14 1.523 -11.687 -5.750 1.00 0.00 O ATOM 428 C2' U A 14 2.073 -10.087 -3.921 1.00 0.00 C ATOM 429 O2' U A 14 3.451 -10.379 -4.113 1.00 0.00 O ATOM 430 C1' U A 14 1.877 -8.566 -3.839 1.00 0.00 C ATOM 431 N1 U A 14 0.848 -8.203 -2.807 1.00 0.00 N ATOM 432 C2 U A 14 1.272 -8.038 -1.469 1.00 0.00 C ATOM 433 O2 U A 14 2.434 -8.195 -1.095 1.00 0.00 O ATOM 434 N3 U A 14 0.296 -7.680 -0.541 1.00 0.00 N ATOM 435 C4 U A 14 -1.055 -7.485 -0.814 1.00 0.00 C ATOM 436 O4 U A 14 -1.825 -7.170 0.088 1.00 0.00 O ATOM 437 C5 U A 14 -1.419 -7.688 -2.211 1.00 0.00 C ATOM 438 C6 U A 14 -0.489 -8.034 -3.142 1.00 0.00 C ATOM 0 H5' U A 14 0.697 -8.185 -7.753 1.00 0.00 H new ATOM 0 H5'' U A 14 0.402 -9.912 -7.792 1.00 0.00 H new ATOM 0 H4' U A 14 2.385 -9.391 -6.586 1.00 0.00 H new ATOM 0 H3' U A 14 0.151 -10.620 -4.857 1.00 0.00 H new ATOM 0 H2' U A 14 1.797 -10.650 -3.030 1.00 0.00 H new ATOM 0 HO2' U A 14 3.745 -11.028 -3.440 1.00 0.00 H new ATOM 0 H1' U A 14 2.791 -8.067 -3.518 1.00 0.00 H new ATOM 0 H3 U A 14 0.598 -7.549 0.424 1.00 0.00 H new ATOM 0 H5 U A 14 -2.448 -7.561 -2.513 1.00 0.00 H new ATOM 0 H6 U A 14 -0.798 -8.181 -4.166 1.00 0.00 H new ATOM 449 P C A 15 0.872 -13.099 -5.289 1.00 0.00 P ATOM 450 OP1 C A 15 1.354 -14.149 -6.214 1.00 0.00 O ATOM 451 OP2 C A 15 -0.584 -12.906 -5.099 1.00 0.00 O ATOM 452 O5' C A 15 1.523 -13.356 -3.831 1.00 0.00 O ATOM 453 C5' C A 15 2.882 -13.734 -3.653 1.00 0.00 C ATOM 454 C4' C A 15 3.286 -13.662 -2.171 1.00 0.00 C ATOM 455 O4' C A 15 3.060 -12.365 -1.639 1.00 0.00 O ATOM 456 C3' C A 15 2.504 -14.609 -1.254 1.00 0.00 C ATOM 457 O3' C A 15 2.948 -15.953 -1.329 1.00 0.00 O ATOM 458 C2' C A 15 2.729 -13.953 0.114 1.00 0.00 C ATOM 459 O2' C A 15 3.961 -14.315 0.728 1.00 0.00 O ATOM 460 C1' C A 15 2.749 -12.456 -0.252 1.00 0.00 C ATOM 461 N1 C A 15 1.442 -11.803 0.095 1.00 0.00 N ATOM 462 C2 C A 15 1.247 -11.345 1.420 1.00 0.00 C ATOM 463 O2 C A 15 2.119 -11.464 2.282 1.00 0.00 O ATOM 464 N3 C A 15 0.052 -10.766 1.758 1.00 0.00 N ATOM 465 C4 C A 15 -0.930 -10.623 0.853 1.00 0.00 C ATOM 466 N4 C A 15 -2.066 -10.054 1.247 1.00 0.00 N ATOM 467 C5 C A 15 -0.768 -11.083 -0.506 1.00 0.00 C ATOM 468 C6 C A 15 0.420 -11.664 -0.834 1.00 0.00 C ATOM 0 H5' C A 15 3.525 -13.079 -4.241 1.00 0.00 H new ATOM 0 H5'' C A 15 3.033 -14.747 -4.026 1.00 0.00 H new ATOM 0 H4' C A 15 4.339 -13.943 -2.181 1.00 0.00 H new ATOM 0 H3' C A 15 1.451 -14.715 -1.515 1.00 0.00 H new ATOM 0 H2' C A 15 1.971 -14.253 0.837 1.00 0.00 H new ATOM 0 HO2' C A 15 4.309 -15.130 0.308 1.00 0.00 H new ATOM 0 HO3' C A 15 2.415 -16.508 -0.723 1.00 0.00 H new ATOM 0 H1' C A 15 3.504 -11.919 0.322 1.00 0.00 H new ATOM 0 H41 C A 15 -2.831 -9.931 0.584 1.00 0.00 H new ATOM 0 H42 C A 15 -2.172 -9.741 2.212 1.00 0.00 H new ATOM 0 H5 C A 15 -1.558 -10.971 -1.234 1.00 0.00 H new ATOM 0 H6 C A 15 0.570 -12.025 -1.841 1.00 0.00 H new TER 481 C A 15