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 -22:sc= 0.00891 USER MOD Single : A 1 G O5' : rot 29:sc= 0.0223 USER MOD Single : A 2 A O2' : rot -17:sc= 0.00979 USER MOD Single : A 3 G O2' : rot -16:sc= 0.0132 USER MOD Single : A 4 G O2' : rot -18:sc= 0.0142 USER MOD Single : A 5 A O2' : rot -16:sc= 0.0271 USER MOD Single : A 6 C O2' : rot -16:sc= 0.0856 USER MOD Single : A 7 A O2' : rot -11:sc= 0.581 USER MOD Single : A 8 U O2' : rot 19:sc= 0.0566 USER MOD Single : A 9 A O2' : rot -82:sc= 0.874 USER MOD Single : A 10 G O2' : rot -19:sc= 0.535 USER MOD Single : A 11 U O2' : rot -29:sc= 0.0158 USER MOD Single : A 12 C O2' : rot -18:sc= 0.00846 USER MOD Single : A 13 U O2' : rot -115:sc= 0.0764 USER MOD Single : A 14 U O2' : rot -120:sc= 0.0125 USER MOD Single : A 15 C O2' : rot -20:sc= 0.0403 USER MOD Single : A 15 C O3' : rot 180:sc= 0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -1.613 -6.550 13.243 1.00 0.00 O ATOM 2 C5' G A 1 -1.949 -7.646 12.414 1.00 0.00 C ATOM 3 C4' G A 1 -0.691 -8.384 11.930 1.00 0.00 C ATOM 4 O4' G A 1 -1.047 -9.534 11.170 1.00 0.00 O ATOM 5 C3' G A 1 0.203 -7.542 11.009 1.00 0.00 C ATOM 6 O3' G A 1 1.045 -6.652 11.730 1.00 0.00 O ATOM 7 C2' G A 1 0.948 -8.643 10.247 1.00 0.00 C ATOM 8 O2' G A 1 2.010 -9.227 10.987 1.00 0.00 O ATOM 9 C1' G A 1 -0.173 -9.667 10.050 1.00 0.00 C ATOM 10 N9 G A 1 -0.911 -9.457 8.772 1.00 0.00 N ATOM 11 C8 G A 1 -2.159 -8.914 8.570 1.00 0.00 C ATOM 12 N7 G A 1 -2.541 -8.886 7.325 1.00 0.00 N ATOM 13 C5 G A 1 -1.475 -9.452 6.631 1.00 0.00 C ATOM 14 C6 G A 1 -1.300 -9.695 5.219 1.00 0.00 C ATOM 15 O6 G A 1 -2.078 -9.444 4.302 1.00 0.00 O ATOM 16 N1 G A 1 -0.073 -10.295 4.907 1.00 0.00 N ATOM 17 C2 G A 1 0.883 -10.622 5.859 1.00 0.00 C ATOM 18 N2 G A 1 2.003 -11.184 5.410 1.00 0.00 N ATOM 19 N3 G A 1 0.726 -10.398 7.182 1.00 0.00 N ATOM 20 C4 G A 1 -0.471 -9.810 7.514 1.00 0.00 C ATOM 0 H5' G A 1 -2.520 -7.294 11.555 1.00 0.00 H new ATOM 0 H5'' G A 1 -2.590 -8.336 12.962 1.00 0.00 H new ATOM 0 H4' G A 1 -0.149 -8.630 12.843 1.00 0.00 H new ATOM 0 H3' G A 1 -0.330 -6.853 10.354 1.00 0.00 H new ATOM 0 H2' G A 1 1.428 -8.275 9.340 1.00 0.00 H new ATOM 0 HO2' G A 1 2.295 -8.610 11.693 1.00 0.00 H new ATOM 0 HO5' G A 1 -0.736 -6.199 12.982 1.00 0.00 H new ATOM 0 H1' G A 1 0.245 -10.672 9.987 1.00 0.00 H new ATOM 0 H8 G A 1 -2.772 -8.541 9.378 1.00 0.00 H new ATOM 0 H1 G A 1 0.128 -10.502 3.929 1.00 0.00 H new ATOM 0 H21 G A 1 2.740 -11.445 6.065 1.00 0.00 H new ATOM 0 H22 G A 1 2.124 -11.353 4.411 1.00 0.00 H new ATOM 33 P A A 2 1.629 -5.292 11.070 1.00 0.00 P ATOM 34 OP1 A A 2 2.448 -4.609 12.095 1.00 0.00 O ATOM 35 OP2 A A 2 0.501 -4.573 10.438 1.00 0.00 O ATOM 36 O5' A A 2 2.602 -5.833 9.893 1.00 0.00 O ATOM 37 C5' A A 2 3.865 -6.427 10.165 1.00 0.00 C ATOM 38 C4' A A 2 4.494 -7.038 8.903 1.00 0.00 C ATOM 39 O4' A A 2 3.654 -8.015 8.299 1.00 0.00 O ATOM 40 C3' A A 2 4.797 -6.021 7.798 1.00 0.00 C ATOM 41 O3' A A 2 5.960 -5.250 8.081 1.00 0.00 O ATOM 42 C2' A A 2 4.925 -6.957 6.590 1.00 0.00 C ATOM 43 O2' A A 2 6.176 -7.622 6.512 1.00 0.00 O ATOM 44 C1' A A 2 3.810 -7.975 6.882 1.00 0.00 C ATOM 45 N9 A A 2 2.541 -7.577 6.207 1.00 0.00 N ATOM 46 C8 A A 2 1.396 -7.034 6.747 1.00 0.00 C ATOM 47 N7 A A 2 0.452 -6.789 5.881 1.00 0.00 N ATOM 48 C5 A A 2 1.001 -7.194 4.665 1.00 0.00 C ATOM 49 C6 A A 2 0.522 -7.215 3.320 1.00 0.00 C ATOM 50 N6 A A 2 -0.691 -6.789 2.958 1.00 0.00 N ATOM 51 N1 A A 2 1.323 -7.696 2.339 1.00 0.00 N ATOM 52 C2 A A 2 2.546 -8.134 2.665 1.00 0.00 C ATOM 53 N3 A A 2 3.112 -8.172 3.880 1.00 0.00 N ATOM 54 C4 A A 2 2.280 -7.681 4.858 1.00 0.00 C ATOM 0 H5' A A 2 3.746 -7.201 10.923 1.00 0.00 H new ATOM 0 H5'' A A 2 4.538 -5.676 10.579 1.00 0.00 H new ATOM 0 H4' A A 2 5.421 -7.471 9.278 1.00 0.00 H new ATOM 0 H3' A A 2 4.049 -5.241 7.657 1.00 0.00 H new ATOM 0 H2' A A 2 4.850 -6.423 5.643 1.00 0.00 H new ATOM 0 HO2' A A 2 6.826 -7.164 7.084 1.00 0.00 H new ATOM 0 H1' A A 2 4.068 -8.962 6.497 1.00 0.00 H new ATOM 0 H8 A A 2 1.289 -6.828 7.802 1.00 0.00 H new ATOM 0 H61 A A 2 -0.975 -6.830 1.979 1.00 0.00 H new ATOM 0 H62 A A 2 -1.333 -6.423 3.660 1.00 0.00 H new ATOM 0 H2 A A 2 3.151 -8.502 1.849 1.00 0.00 H new ATOM 66 P G A 3 6.196 -3.774 7.452 1.00 0.00 P ATOM 67 OP1 G A 3 7.437 -3.225 8.042 1.00 0.00 O ATOM 68 OP2 G A 3 4.934 -3.009 7.564 1.00 0.00 O ATOM 69 O5' G A 3 6.455 -4.078 5.883 1.00 0.00 O ATOM 70 C5' G A 3 7.664 -4.658 5.417 1.00 0.00 C ATOM 71 C4' G A 3 7.603 -4.971 3.914 1.00 0.00 C ATOM 72 O4' G A 3 6.523 -5.836 3.591 1.00 0.00 O ATOM 73 C3' G A 3 7.407 -3.742 3.021 1.00 0.00 C ATOM 74 O3' G A 3 8.586 -2.953 2.906 1.00 0.00 O ATOM 75 C2' G A 3 6.965 -4.425 1.722 1.00 0.00 C ATOM 76 O2' G A 3 8.041 -4.961 0.966 1.00 0.00 O ATOM 77 C1' G A 3 6.085 -5.565 2.260 1.00 0.00 C ATOM 78 N9 G A 3 4.643 -5.188 2.230 1.00 0.00 N ATOM 79 C8 G A 3 3.802 -4.857 3.268 1.00 0.00 C ATOM 80 N7 G A 3 2.580 -4.579 2.906 1.00 0.00 N ATOM 81 C5 G A 3 2.593 -4.728 1.522 1.00 0.00 C ATOM 82 C6 G A 3 1.541 -4.562 0.546 1.00 0.00 C ATOM 83 O6 G A 3 0.366 -4.250 0.725 1.00 0.00 O ATOM 84 N1 G A 3 1.963 -4.801 -0.767 1.00 0.00 N ATOM 85 C2 G A 3 3.256 -5.166 -1.105 1.00 0.00 C ATOM 86 N2 G A 3 3.493 -5.358 -2.402 1.00 0.00 N ATOM 87 N3 G A 3 4.243 -5.332 -0.200 1.00 0.00 N ATOM 88 C4 G A 3 3.858 -5.101 1.099 1.00 0.00 C ATOM 0 H5' G A 3 7.865 -5.575 5.972 1.00 0.00 H new ATOM 0 H5'' G A 3 8.493 -3.978 5.614 1.00 0.00 H new ATOM 0 H4' G A 3 8.575 -5.426 3.722 1.00 0.00 H new ATOM 0 H3' G A 3 6.695 -3.003 3.389 1.00 0.00 H new ATOM 0 H2' G A 3 6.477 -3.732 1.037 1.00 0.00 H new ATOM 0 HO2' G A 3 8.886 -4.578 1.282 1.00 0.00 H new ATOM 0 H1' G A 3 6.182 -6.455 1.638 1.00 0.00 H new ATOM 0 H8 G A 3 4.127 -4.830 4.298 1.00 0.00 H new ATOM 0 H1 G A 3 1.280 -4.701 -1.518 1.00 0.00 H new ATOM 0 H21 G A 3 4.425 -5.628 -2.716 1.00 0.00 H new ATOM 0 H22 G A 3 2.742 -5.235 -3.081 1.00 0.00 H new ATOM 100 P G A 4 8.539 -1.371 2.551 1.00 0.00 P ATOM 101 OP1 G A 4 9.927 -0.857 2.592 1.00 0.00 O ATOM 102 OP2 G A 4 7.501 -0.732 3.389 1.00 0.00 O ATOM 103 O5' G A 4 8.021 -1.346 1.017 1.00 0.00 O ATOM 104 C5' G A 4 8.857 -1.717 -0.069 1.00 0.00 C ATOM 105 C4' G A 4 8.076 -1.784 -1.391 1.00 0.00 C ATOM 106 O4' G A 4 6.982 -2.691 -1.314 1.00 0.00 O ATOM 107 C3' G A 4 7.471 -0.450 -1.844 1.00 0.00 C ATOM 108 O3' G A 4 8.439 0.433 -2.401 1.00 0.00 O ATOM 109 C2' G A 4 6.429 -0.961 -2.846 1.00 0.00 C ATOM 110 O2' G A 4 6.977 -1.316 -4.107 1.00 0.00 O ATOM 111 C1' G A 4 5.916 -2.219 -2.133 1.00 0.00 C ATOM 112 N9 G A 4 4.694 -1.939 -1.327 1.00 0.00 N ATOM 113 C8 G A 4 4.546 -1.827 0.035 1.00 0.00 C ATOM 114 N7 G A 4 3.326 -1.594 0.429 1.00 0.00 N ATOM 115 C5 G A 4 2.592 -1.539 -0.753 1.00 0.00 C ATOM 116 C6 G A 4 1.184 -1.312 -0.977 1.00 0.00 C ATOM 117 O6 G A 4 0.303 -1.110 -0.145 1.00 0.00 O ATOM 118 N1 G A 4 0.829 -1.330 -2.332 1.00 0.00 N ATOM 119 C2 G A 4 1.736 -1.547 -3.358 1.00 0.00 C ATOM 120 N2 G A 4 1.252 -1.531 -4.598 1.00 0.00 N ATOM 121 N3 G A 4 3.052 -1.768 -3.157 1.00 0.00 N ATOM 122 C4 G A 4 3.427 -1.752 -1.836 1.00 0.00 C ATOM 0 H5' G A 4 9.310 -2.687 0.135 1.00 0.00 H new ATOM 0 H5'' G A 4 9.671 -0.998 -0.163 1.00 0.00 H new ATOM 0 H4' G A 4 8.834 -2.104 -2.107 1.00 0.00 H new ATOM 0 H3' G A 4 7.052 0.168 -1.050 1.00 0.00 H new ATOM 0 H2' G A 4 5.679 -0.206 -3.082 1.00 0.00 H new ATOM 0 HO2' G A 4 7.859 -0.901 -4.209 1.00 0.00 H new ATOM 0 H1' G A 4 5.622 -2.975 -2.861 1.00 0.00 H new ATOM 0 H8 G A 4 5.373 -1.924 0.722 1.00 0.00 H new ATOM 0 H1 G A 4 -0.149 -1.175 -2.577 1.00 0.00 H new ATOM 0 H21 G A 4 1.875 -1.685 -5.391 1.00 0.00 H new ATOM 0 H22 G A 4 0.258 -1.365 -4.755 1.00 0.00 H new ATOM 134 P A A 5 8.214 2.040 -2.476 1.00 0.00 P ATOM 135 OP1 A A 5 9.427 2.639 -3.075 1.00 0.00 O ATOM 136 OP2 A A 5 7.744 2.511 -1.154 1.00 0.00 O ATOM 137 O5' A A 5 6.986 2.209 -3.516 1.00 0.00 O ATOM 138 C5' A A 5 7.138 2.024 -4.918 1.00 0.00 C ATOM 139 C4' A A 5 5.783 2.108 -5.638 1.00 0.00 C ATOM 140 O4' A A 5 4.849 1.176 -5.111 1.00 0.00 O ATOM 141 C3' A A 5 5.114 3.477 -5.510 1.00 0.00 C ATOM 142 O3' A A 5 5.687 4.427 -6.403 1.00 0.00 O ATOM 143 C2' A A 5 3.651 3.125 -5.797 1.00 0.00 C ATOM 144 O2' A A 5 3.325 3.074 -7.178 1.00 0.00 O ATOM 145 C1' A A 5 3.536 1.721 -5.185 1.00 0.00 C ATOM 146 N9 A A 5 2.897 1.758 -3.840 1.00 0.00 N ATOM 147 C8 A A 5 3.461 1.577 -2.596 1.00 0.00 C ATOM 148 N7 A A 5 2.617 1.647 -1.605 1.00 0.00 N ATOM 149 C5 A A 5 1.394 1.891 -2.225 1.00 0.00 C ATOM 150 C6 A A 5 0.063 2.074 -1.746 1.00 0.00 C ATOM 151 N6 A A 5 -0.266 2.032 -0.453 1.00 0.00 N ATOM 152 N1 A A 5 -0.934 2.314 -2.632 1.00 0.00 N ATOM 153 C2 A A 5 -0.635 2.362 -3.937 1.00 0.00 C ATOM 154 N3 A A 5 0.563 2.199 -4.514 1.00 0.00 N ATOM 155 C4 A A 5 1.558 1.965 -3.595 1.00 0.00 C ATOM 0 H5' A A 5 7.597 1.055 -5.112 1.00 0.00 H new ATOM 0 H5'' A A 5 7.813 2.782 -5.317 1.00 0.00 H new ATOM 0 H4' A A 5 6.024 1.899 -6.680 1.00 0.00 H new ATOM 0 H3' A A 5 5.238 3.969 -4.545 1.00 0.00 H new ATOM 0 H2' A A 5 2.972 3.876 -5.393 1.00 0.00 H new ATOM 0 HO2' A A 5 4.027 3.520 -7.697 1.00 0.00 H new ATOM 0 H1' A A 5 2.898 1.096 -5.810 1.00 0.00 H new ATOM 0 H8 A A 5 4.516 1.392 -2.454 1.00 0.00 H new ATOM 0 H61 A A 5 -1.236 2.170 -0.169 1.00 0.00 H new ATOM 0 H62 A A 5 0.452 1.862 0.251 1.00 0.00 H new ATOM 0 H2 A A 5 -1.461 2.556 -4.606 1.00 0.00 H new ATOM 167 P C A 6 5.865 5.984 -6.005 1.00 0.00 P ATOM 168 OP1 C A 6 6.449 6.686 -7.170 1.00 0.00 O ATOM 169 OP2 C A 6 6.563 6.034 -4.699 1.00 0.00 O ATOM 170 O5' C A 6 4.335 6.489 -5.802 1.00 0.00 O ATOM 171 C5' C A 6 3.450 6.669 -6.903 1.00 0.00 C ATOM 172 C4' C A 6 1.993 6.885 -6.461 1.00 0.00 C ATOM 173 O4' C A 6 1.530 5.795 -5.679 1.00 0.00 O ATOM 174 C3' C A 6 1.766 8.128 -5.597 1.00 0.00 C ATOM 175 O3' C A 6 1.694 9.324 -6.370 1.00 0.00 O ATOM 176 C2' C A 6 0.440 7.768 -4.914 1.00 0.00 C ATOM 177 O2' C A 6 -0.701 8.122 -5.681 1.00 0.00 O ATOM 178 C1' C A 6 0.514 6.238 -4.786 1.00 0.00 C ATOM 179 N1 C A 6 0.755 5.819 -3.364 1.00 0.00 N ATOM 180 C2 C A 6 -0.335 5.833 -2.460 1.00 0.00 C ATOM 181 O2 C A 6 -1.463 6.182 -2.809 1.00 0.00 O ATOM 182 N3 C A 6 -0.133 5.454 -1.160 1.00 0.00 N ATOM 183 C4 C A 6 1.081 5.071 -0.734 1.00 0.00 C ATOM 184 N4 C A 6 1.213 4.704 0.539 1.00 0.00 N ATOM 185 C5 C A 6 2.212 5.038 -1.628 1.00 0.00 C ATOM 186 C6 C A 6 2.009 5.421 -2.919 1.00 0.00 C ATOM 0 H5' C A 6 3.503 5.796 -7.553 1.00 0.00 H new ATOM 0 H5'' C A 6 3.778 7.526 -7.492 1.00 0.00 H new ATOM 0 H4' C A 6 1.455 6.995 -7.403 1.00 0.00 H new ATOM 0 H3' C A 6 2.574 8.347 -4.899 1.00 0.00 H new ATOM 0 H2' C A 6 0.326 8.303 -3.971 1.00 0.00 H new ATOM 0 HO2' C A 6 -0.441 8.760 -6.378 1.00 0.00 H new ATOM 0 H1' C A 6 -0.434 5.773 -5.057 1.00 0.00 H new ATOM 0 H41 C A 6 2.123 4.408 0.893 1.00 0.00 H new ATOM 0 H42 C A 6 0.404 4.719 1.161 1.00 0.00 H new ATOM 0 H5 C A 6 3.186 4.721 -1.286 1.00 0.00 H new ATOM 0 H6 C A 6 2.839 5.415 -3.610 1.00 0.00 H new ATOM 198 P A A 7 2.473 10.688 -5.967 1.00 0.00 P ATOM 199 OP1 A A 7 1.847 11.801 -6.716 1.00 0.00 O ATOM 200 OP2 A A 7 3.923 10.437 -6.110 1.00 0.00 O ATOM 201 O5' A A 7 2.170 10.904 -4.391 1.00 0.00 O ATOM 202 C5' A A 7 0.873 11.172 -3.880 1.00 0.00 C ATOM 203 C4' A A 7 0.826 11.007 -2.348 1.00 0.00 C ATOM 204 O4' A A 7 1.320 9.723 -1.982 1.00 0.00 O ATOM 205 C3' A A 7 1.655 12.055 -1.583 1.00 0.00 C ATOM 206 O3' A A 7 0.960 12.405 -0.392 1.00 0.00 O ATOM 207 C2' A A 7 2.958 11.292 -1.317 1.00 0.00 C ATOM 208 O2' A A 7 3.699 11.740 -0.195 1.00 0.00 O ATOM 209 C1' A A 7 2.458 9.854 -1.141 1.00 0.00 C ATOM 210 N9 A A 7 3.482 8.848 -1.528 1.00 0.00 N ATOM 211 C8 A A 7 4.114 8.709 -2.740 1.00 0.00 C ATOM 212 N7 A A 7 4.959 7.724 -2.800 1.00 0.00 N ATOM 213 C5 A A 7 4.897 7.151 -1.536 1.00 0.00 C ATOM 214 C6 A A 7 5.559 6.042 -0.929 1.00 0.00 C ATOM 215 N6 A A 7 6.454 5.284 -1.569 1.00 0.00 N ATOM 216 N1 A A 7 5.269 5.724 0.357 1.00 0.00 N ATOM 217 C2 A A 7 4.370 6.470 1.013 1.00 0.00 C ATOM 218 N3 A A 7 3.681 7.530 0.559 1.00 0.00 N ATOM 219 C4 A A 7 3.990 7.832 -0.745 1.00 0.00 C ATOM 0 H5' A A 7 0.152 10.498 -4.342 1.00 0.00 H new ATOM 0 H5'' A A 7 0.578 12.187 -4.147 1.00 0.00 H new ATOM 0 H4' A A 7 -0.221 11.138 -2.074 1.00 0.00 H new ATOM 0 H3' A A 7 1.834 12.997 -2.102 1.00 0.00 H new ATOM 0 H2' A A 7 3.677 11.429 -2.124 1.00 0.00 H new ATOM 0 HO2' A A 7 3.334 12.593 0.119 1.00 0.00 H new ATOM 0 H1' A A 7 2.226 9.670 -0.092 1.00 0.00 H new ATOM 0 H8 A A 7 3.924 9.366 -3.576 1.00 0.00 H new ATOM 0 H61 A A 7 6.898 4.502 -1.087 1.00 0.00 H new ATOM 0 H62 A A 7 6.693 5.487 -2.540 1.00 0.00 H new ATOM 0 H2 A A 7 4.175 6.183 2.036 1.00 0.00 H new ATOM 231 P U A 8 0.975 13.905 0.211 1.00 0.00 P ATOM 232 OP1 U A 8 0.346 14.817 -0.770 1.00 0.00 O ATOM 233 OP2 U A 8 2.339 14.182 0.713 1.00 0.00 O ATOM 234 O5' U A 8 -0.008 13.742 1.483 1.00 0.00 O ATOM 235 C5' U A 8 -1.383 13.409 1.340 1.00 0.00 C ATOM 236 C4' U A 8 -1.915 12.648 2.565 1.00 0.00 C ATOM 237 O4' U A 8 -1.171 11.452 2.729 1.00 0.00 O ATOM 238 C3' U A 8 -1.826 13.421 3.894 1.00 0.00 C ATOM 239 O3' U A 8 -2.964 13.150 4.717 1.00 0.00 O ATOM 240 C2' U A 8 -0.538 12.849 4.498 1.00 0.00 C ATOM 241 O2' U A 8 -0.446 12.978 5.906 1.00 0.00 O ATOM 242 C1' U A 8 -0.614 11.397 4.033 1.00 0.00 C ATOM 243 N1 U A 8 0.713 10.705 4.036 1.00 0.00 N ATOM 244 C2 U A 8 1.046 9.871 5.125 1.00 0.00 C ATOM 245 O2 U A 8 0.315 9.690 6.098 1.00 0.00 O ATOM 246 N3 U A 8 2.285 9.228 5.067 1.00 0.00 N ATOM 247 C4 U A 8 3.212 9.346 4.032 1.00 0.00 C ATOM 248 O4 U A 8 4.275 8.734 4.088 1.00 0.00 O ATOM 249 C5 U A 8 2.795 10.226 2.947 1.00 0.00 C ATOM 250 C6 U A 8 1.592 10.865 2.973 1.00 0.00 C ATOM 0 H5' U A 8 -1.519 12.800 0.446 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.965 14.320 1.197 1.00 0.00 H new ATOM 0 H4' U A 8 -2.971 12.473 2.358 1.00 0.00 H new ATOM 0 H3' U A 8 -1.812 14.506 3.786 1.00 0.00 H new ATOM 0 H2' U A 8 0.359 13.379 4.177 1.00 0.00 H new ATOM 0 HO2' U A 8 -1.338 13.136 6.279 1.00 0.00 H new ATOM 0 H1' U A 8 -1.223 10.807 4.718 1.00 0.00 H new ATOM 0 H3 U A 8 2.533 8.621 5.848 1.00 0.00 H new ATOM 0 H5 U A 8 3.454 10.375 2.104 1.00 0.00 H new ATOM 0 H6 U A 8 1.317 11.509 2.151 1.00 0.00 H new ATOM 261 P A A 9 -4.374 13.935 4.548 1.00 0.00 P ATOM 262 OP1 A A 9 -4.804 13.848 3.134 1.00 0.00 O ATOM 263 OP2 A A 9 -4.217 15.266 5.174 1.00 0.00 O ATOM 264 O5' A A 9 -5.442 13.097 5.445 1.00 0.00 O ATOM 265 C5' A A 9 -5.435 11.680 5.610 1.00 0.00 C ATOM 266 C4' A A 9 -5.659 10.871 4.317 1.00 0.00 C ATOM 267 O4' A A 9 -4.463 10.790 3.556 1.00 0.00 O ATOM 268 C3' A A 9 -6.009 9.404 4.588 1.00 0.00 C ATOM 269 O3' A A 9 -7.367 9.188 4.957 1.00 0.00 O ATOM 270 C2' A A 9 -5.642 8.760 3.248 1.00 0.00 C ATOM 271 O2' A A 9 -6.656 8.879 2.259 1.00 0.00 O ATOM 272 C1' A A 9 -4.437 9.586 2.802 1.00 0.00 C ATOM 273 N9 A A 9 -3.139 8.904 3.032 1.00 0.00 N ATOM 274 C8 A A 9 -2.629 8.376 4.194 1.00 0.00 C ATOM 275 N7 A A 9 -1.429 7.880 4.081 1.00 0.00 N ATOM 276 C5 A A 9 -1.103 8.101 2.746 1.00 0.00 C ATOM 277 C6 A A 9 0.048 7.823 1.952 1.00 0.00 C ATOM 278 N6 A A 9 1.141 7.221 2.423 1.00 0.00 N ATOM 279 N1 A A 9 0.058 8.177 0.644 1.00 0.00 N ATOM 280 C2 A A 9 -1.026 8.780 0.138 1.00 0.00 C ATOM 281 N3 A A 9 -2.165 9.095 0.769 1.00 0.00 N ATOM 282 C4 A A 9 -2.148 8.724 2.092 1.00 0.00 C ATOM 0 H5' A A 9 -6.209 11.409 6.328 1.00 0.00 H new ATOM 0 H5'' A A 9 -4.480 11.385 6.044 1.00 0.00 H new ATOM 0 H4' A A 9 -6.468 11.393 3.806 1.00 0.00 H new ATOM 0 H3' A A 9 -5.483 8.987 5.447 1.00 0.00 H new ATOM 0 H2' A A 9 -5.474 7.689 3.363 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.330 8.181 2.396 1.00 0.00 H new ATOM 0 H1' A A 9 -4.511 9.754 1.728 1.00 0.00 H new ATOM 0 H8 A A 9 -3.178 8.372 5.124 1.00 0.00 H new ATOM 0 H61 A A 9 1.934 7.049 1.806 1.00 0.00 H new ATOM 0 H62 A A 9 1.183 6.933 3.401 1.00 0.00 H new ATOM 0 H2 A A 9 -0.975 9.045 -0.908 1.00 0.00 H new ATOM 294 P G A 10 -7.787 8.131 6.110 1.00 0.00 P ATOM 295 OP1 G A 10 -7.874 8.884 7.380 1.00 0.00 O ATOM 296 OP2 G A 10 -6.895 6.948 6.025 1.00 0.00 O ATOM 297 O5' G A 10 -9.300 7.700 5.688 1.00 0.00 O ATOM 298 C5' G A 10 -9.631 6.467 5.054 1.00 0.00 C ATOM 299 C4' G A 10 -9.403 6.463 3.527 1.00 0.00 C ATOM 300 O4' G A 10 -8.026 6.640 3.223 1.00 0.00 O ATOM 301 C3' G A 10 -9.813 5.120 2.891 1.00 0.00 C ATOM 302 O3' G A 10 -10.361 5.381 1.598 1.00 0.00 O ATOM 303 C2' G A 10 -8.448 4.409 2.850 1.00 0.00 C ATOM 304 O2' G A 10 -8.386 3.294 1.985 1.00 0.00 O ATOM 305 C1' G A 10 -7.557 5.575 2.414 1.00 0.00 C ATOM 306 N9 G A 10 -6.099 5.360 2.615 1.00 0.00 N ATOM 307 C8 G A 10 -5.436 4.939 3.741 1.00 0.00 C ATOM 308 N7 G A 10 -4.144 4.836 3.605 1.00 0.00 N ATOM 309 C5 G A 10 -3.909 5.231 2.291 1.00 0.00 C ATOM 310 C6 G A 10 -2.676 5.330 1.546 1.00 0.00 C ATOM 311 O6 G A 10 -1.535 5.069 1.920 1.00 0.00 O ATOM 312 N1 G A 10 -2.857 5.786 0.233 1.00 0.00 N ATOM 313 C2 G A 10 -4.096 6.111 -0.298 1.00 0.00 C ATOM 314 N2 G A 10 -4.118 6.521 -1.563 1.00 0.00 N ATOM 315 N3 G A 10 -5.254 6.016 0.390 1.00 0.00 N ATOM 316 C4 G A 10 -5.106 5.566 1.679 1.00 0.00 C ATOM 0 H5' G A 10 -10.677 6.237 5.255 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.037 5.670 5.501 1.00 0.00 H new ATOM 0 H4' G A 10 -10.010 7.277 3.131 1.00 0.00 H new ATOM 0 H3' G A 10 -10.574 4.534 3.405 1.00 0.00 H new ATOM 0 H2' G A 10 -8.166 3.939 3.792 1.00 0.00 H new ATOM 0 HO2' G A 10 -9.294 2.978 1.793 1.00 0.00 H new ATOM 0 H1' G A 10 -7.630 5.743 1.339 1.00 0.00 H new ATOM 0 H8 G A 10 -5.945 4.711 4.666 1.00 0.00 H new ATOM 0 H1 G A 10 -2.035 5.884 -0.363 1.00 0.00 H new ATOM 0 H21 G A 10 -5.004 6.772 -2.002 1.00 0.00 H new ATOM 0 H22 G A 10 -3.249 6.584 -2.094 1.00 0.00 H new ATOM 328 P U A 11 -11.322 4.350 0.797 1.00 0.00 P ATOM 329 OP1 U A 11 -12.648 4.988 0.647 1.00 0.00 O ATOM 330 OP2 U A 11 -11.218 3.002 1.409 1.00 0.00 O ATOM 331 O5' U A 11 -10.591 4.355 -0.653 1.00 0.00 O ATOM 332 C5' U A 11 -10.037 3.190 -1.243 1.00 0.00 C ATOM 333 C4' U A 11 -9.208 3.550 -2.487 1.00 0.00 C ATOM 334 O4' U A 11 -8.125 4.427 -2.175 1.00 0.00 O ATOM 335 C3' U A 11 -8.571 2.311 -3.127 1.00 0.00 C ATOM 336 O3' U A 11 -9.464 1.611 -3.987 1.00 0.00 O ATOM 337 C2' U A 11 -7.369 2.932 -3.842 1.00 0.00 C ATOM 338 O2' U A 11 -7.705 3.559 -5.073 1.00 0.00 O ATOM 339 C1' U A 11 -6.928 3.987 -2.822 1.00 0.00 C ATOM 340 N1 U A 11 -5.903 3.453 -1.857 1.00 0.00 N ATOM 341 C2 U A 11 -4.566 3.322 -2.301 1.00 0.00 C ATOM 342 O2 U A 11 -4.193 3.599 -3.440 1.00 0.00 O ATOM 343 N3 U A 11 -3.639 2.848 -1.371 1.00 0.00 N ATOM 344 C4 U A 11 -3.920 2.487 -0.055 1.00 0.00 C ATOM 345 O4 U A 11 -3.026 2.079 0.678 1.00 0.00 O ATOM 346 C5 U A 11 -5.315 2.646 0.327 1.00 0.00 C ATOM 347 C6 U A 11 -6.241 3.116 -0.553 1.00 0.00 C ATOM 0 H5' U A 11 -10.836 2.502 -1.519 1.00 0.00 H new ATOM 0 H5'' U A 11 -9.408 2.674 -0.518 1.00 0.00 H new ATOM 0 H4' U A 11 -9.915 4.027 -3.166 1.00 0.00 H new ATOM 0 H3' U A 11 -8.293 1.530 -2.420 1.00 0.00 H new ATOM 0 H2' U A 11 -6.618 2.191 -4.115 1.00 0.00 H new ATOM 0 HO2' U A 11 -8.488 3.117 -5.462 1.00 0.00 H new ATOM 0 H1' U A 11 -6.424 4.822 -3.308 1.00 0.00 H new ATOM 0 H3 U A 11 -2.672 2.758 -1.682 1.00 0.00 H new ATOM 0 H5 U A 11 -5.622 2.386 1.329 1.00 0.00 H new ATOM 0 H6 U A 11 -7.265 3.230 -0.229 1.00 0.00 H new ATOM 358 P C A 12 -9.345 0.015 -4.243 1.00 0.00 P ATOM 359 OP1 C A 12 -10.393 -0.368 -5.215 1.00 0.00 O ATOM 360 OP2 C A 12 -9.290 -0.659 -2.926 1.00 0.00 O ATOM 361 O5' C A 12 -7.896 -0.156 -4.945 1.00 0.00 O ATOM 362 C5' C A 12 -7.645 0.237 -6.288 1.00 0.00 C ATOM 363 C4' C A 12 -6.157 0.107 -6.646 1.00 0.00 C ATOM 364 O4' C A 12 -5.338 0.890 -5.786 1.00 0.00 O ATOM 365 C3' C A 12 -5.613 -1.320 -6.536 1.00 0.00 C ATOM 366 O3' C A 12 -6.001 -2.146 -7.628 1.00 0.00 O ATOM 367 C2' C A 12 -4.111 -1.033 -6.448 1.00 0.00 C ATOM 368 O2' C A 12 -3.488 -0.781 -7.700 1.00 0.00 O ATOM 369 C1' C A 12 -4.079 0.246 -5.594 1.00 0.00 C ATOM 370 N1 C A 12 -3.776 -0.071 -4.154 1.00 0.00 N ATOM 371 C2 C A 12 -2.464 -0.484 -3.815 1.00 0.00 C ATOM 372 O2 C A 12 -1.577 -0.598 -4.662 1.00 0.00 O ATOM 373 N3 C A 12 -2.170 -0.774 -2.508 1.00 0.00 N ATOM 374 C4 C A 12 -3.103 -0.669 -1.549 1.00 0.00 C ATOM 375 N4 C A 12 -2.748 -0.960 -0.300 1.00 0.00 N ATOM 376 C5 C A 12 -4.452 -0.258 -1.858 1.00 0.00 C ATOM 377 C6 C A 12 -4.740 0.030 -3.158 1.00 0.00 C ATOM 0 H5' C A 12 -7.966 1.269 -6.432 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.238 -0.378 -6.965 1.00 0.00 H new ATOM 0 H4' C A 12 -6.114 0.445 -7.681 1.00 0.00 H new ATOM 0 H3' C A 12 -5.993 -1.900 -5.695 1.00 0.00 H new ATOM 0 H2' C A 12 -3.568 -1.889 -6.048 1.00 0.00 H new ATOM 0 HO2' C A 12 -4.062 -1.109 -8.423 1.00 0.00 H new ATOM 0 H1' C A 12 -3.278 0.920 -5.899 1.00 0.00 H new ATOM 0 H41 C A 12 -3.432 -0.891 0.454 1.00 0.00 H new ATOM 0 H42 C A 12 -1.792 -1.252 -0.096 1.00 0.00 H new ATOM 0 H5 C A 12 -5.205 -0.182 -1.087 1.00 0.00 H new ATOM 0 H6 C A 12 -5.740 0.344 -3.420 1.00 0.00 H new ATOM 389 P U A 13 -6.080 -3.762 -7.511 1.00 0.00 P ATOM 390 OP1 U A 13 -6.484 -4.295 -8.832 1.00 0.00 O ATOM 391 OP2 U A 13 -6.883 -4.099 -6.314 1.00 0.00 O ATOM 392 O5' U A 13 -4.553 -4.214 -7.216 1.00 0.00 O ATOM 393 C5' U A 13 -3.536 -4.170 -8.207 1.00 0.00 C ATOM 394 C4' U A 13 -2.146 -4.431 -7.602 1.00 0.00 C ATOM 395 O4' U A 13 -1.829 -3.494 -6.580 1.00 0.00 O ATOM 396 C3' U A 13 -1.990 -5.808 -6.948 1.00 0.00 C ATOM 397 O3' U A 13 -1.830 -6.855 -7.901 1.00 0.00 O ATOM 398 C2' U A 13 -0.765 -5.553 -6.062 1.00 0.00 C ATOM 399 O2' U A 13 0.470 -5.612 -6.760 1.00 0.00 O ATOM 400 C1' U A 13 -1.021 -4.117 -5.583 1.00 0.00 C ATOM 401 N1 U A 13 -1.643 -4.108 -4.214 1.00 0.00 N ATOM 402 C2 U A 13 -0.791 -4.274 -3.098 1.00 0.00 C ATOM 403 O2 U A 13 0.425 -4.435 -3.195 1.00 0.00 O ATOM 404 N3 U A 13 -1.389 -4.262 -1.834 1.00 0.00 N ATOM 405 C4 U A 13 -2.753 -4.117 -1.589 1.00 0.00 C ATOM 406 O4 U A 13 -3.177 -4.130 -0.437 1.00 0.00 O ATOM 407 C5 U A 13 -3.568 -3.958 -2.788 1.00 0.00 C ATOM 408 C6 U A 13 -3.011 -3.958 -4.031 1.00 0.00 C ATOM 0 H5' U A 13 -3.544 -3.195 -8.695 1.00 0.00 H new ATOM 0 H5'' U A 13 -3.744 -4.913 -8.976 1.00 0.00 H new ATOM 0 H4' U A 13 -1.483 -4.351 -8.463 1.00 0.00 H new ATOM 0 H3' U A 13 -2.858 -6.162 -6.393 1.00 0.00 H new ATOM 0 H2' U A 13 -0.666 -6.305 -5.279 1.00 0.00 H new ATOM 0 HO2' U A 13 1.001 -6.364 -6.423 1.00 0.00 H new ATOM 0 H1' U A 13 -0.094 -3.555 -5.468 1.00 0.00 H new ATOM 0 H3 U A 13 -0.777 -4.368 -1.025 1.00 0.00 H new ATOM 0 H5 U A 13 -4.637 -3.838 -2.688 1.00 0.00 H new ATOM 0 H6 U A 13 -3.649 -3.839 -4.895 1.00 0.00 H new ATOM 419 P U A 14 -2.094 -8.413 -7.535 1.00 0.00 P ATOM 420 OP1 U A 14 -1.998 -9.197 -8.787 1.00 0.00 O ATOM 421 OP2 U A 14 -3.321 -8.502 -6.711 1.00 0.00 O ATOM 422 O5' U A 14 -0.839 -8.794 -6.586 1.00 0.00 O ATOM 423 C5' U A 14 0.469 -9.003 -7.095 1.00 0.00 C ATOM 424 C4' U A 14 1.490 -9.202 -5.963 1.00 0.00 C ATOM 425 O4' U A 14 1.533 -8.084 -5.083 1.00 0.00 O ATOM 426 C3' U A 14 1.205 -10.406 -5.058 1.00 0.00 C ATOM 427 O3' U A 14 1.537 -11.646 -5.677 1.00 0.00 O ATOM 428 C2' U A 14 2.071 -10.044 -3.846 1.00 0.00 C ATOM 429 O2' U A 14 3.450 -10.336 -4.022 1.00 0.00 O ATOM 430 C1' U A 14 1.875 -8.523 -3.768 1.00 0.00 C ATOM 431 N1 U A 14 0.833 -8.164 -2.748 1.00 0.00 N ATOM 432 C2 U A 14 1.237 -8.028 -1.400 1.00 0.00 C ATOM 433 O2 U A 14 2.390 -8.204 -1.009 1.00 0.00 O ATOM 434 N3 U A 14 0.249 -7.677 -0.481 1.00 0.00 N ATOM 435 C4 U A 14 -1.095 -7.461 -0.774 1.00 0.00 C ATOM 436 O4 U A 14 -1.878 -7.154 0.119 1.00 0.00 O ATOM 437 C5 U A 14 -1.438 -7.636 -2.180 1.00 0.00 C ATOM 438 C6 U A 14 -0.496 -7.975 -3.102 1.00 0.00 C ATOM 0 H5' U A 14 0.763 -8.150 -7.706 1.00 0.00 H new ATOM 0 H5'' U A 14 0.472 -9.877 -7.746 1.00 0.00 H new ATOM 0 H4' U A 14 2.426 -9.350 -6.502 1.00 0.00 H new ATOM 0 H3' U A 14 0.156 -10.567 -4.808 1.00 0.00 H new ATOM 0 H2' U A 14 1.785 -10.608 -2.958 1.00 0.00 H new ATOM 0 HO2' U A 14 3.739 -10.976 -3.339 1.00 0.00 H new ATOM 0 H1' U A 14 2.785 -8.022 -3.438 1.00 0.00 H new ATOM 0 H3 U A 14 0.536 -7.569 0.492 1.00 0.00 H new ATOM 0 H5 U A 14 -2.461 -7.494 -2.497 1.00 0.00 H new ATOM 0 H6 U A 14 -0.789 -8.100 -4.134 1.00 0.00 H new ATOM 449 P C A 15 0.883 -13.056 -5.207 1.00 0.00 P ATOM 450 OP1 C A 15 1.379 -14.114 -6.116 1.00 0.00 O ATOM 451 OP2 C A 15 -0.574 -12.864 -5.035 1.00 0.00 O ATOM 452 O5' C A 15 1.520 -13.296 -3.738 1.00 0.00 O ATOM 453 C5' C A 15 2.878 -13.667 -3.543 1.00 0.00 C ATOM 454 C4' C A 15 3.271 -13.581 -2.058 1.00 0.00 C ATOM 455 O4' C A 15 3.023 -12.284 -1.532 1.00 0.00 O ATOM 456 C3' C A 15 2.496 -14.535 -1.143 1.00 0.00 C ATOM 457 O3' C A 15 2.955 -15.873 -1.213 1.00 0.00 O ATOM 458 C2' C A 15 2.705 -13.872 0.224 1.00 0.00 C ATOM 459 O2' C A 15 3.936 -14.218 0.848 1.00 0.00 O ATOM 460 C1' C A 15 2.715 -12.375 -0.144 1.00 0.00 C ATOM 461 N1 C A 15 1.401 -11.732 0.202 1.00 0.00 N ATOM 462 C2 C A 15 1.203 -11.269 1.526 1.00 0.00 C ATOM 463 O2 C A 15 2.078 -11.372 2.388 1.00 0.00 O ATOM 464 N3 C A 15 0.003 -10.701 1.861 1.00 0.00 N ATOM 465 C4 C A 15 -0.982 -10.576 0.957 1.00 0.00 C ATOM 466 N4 C A 15 -2.124 -10.017 1.348 1.00 0.00 N ATOM 467 C5 C A 15 -0.816 -11.041 -0.401 1.00 0.00 C ATOM 468 C6 C A 15 0.377 -11.610 -0.728 1.00 0.00 C ATOM 0 H5' C A 15 3.524 -13.015 -4.131 1.00 0.00 H new ATOM 0 H5'' C A 15 3.036 -14.683 -3.905 1.00 0.00 H new ATOM 0 H4' C A 15 4.328 -13.845 -2.060 1.00 0.00 H new ATOM 0 H3' C A 15 1.446 -14.655 -1.409 1.00 0.00 H new ATOM 0 H2' C A 15 1.943 -14.178 0.941 1.00 0.00 H new ATOM 0 HO2' C A 15 4.280 -15.047 0.455 1.00 0.00 H new ATOM 0 HO3' C A 15 2.425 -16.433 -0.608 1.00 0.00 H new ATOM 0 H1' C A 15 3.467 -11.832 0.428 1.00 0.00 H new ATOM 0 H41 C A 15 -2.891 -9.908 0.685 1.00 0.00 H new ATOM 0 H42 C A 15 -2.232 -9.698 2.311 1.00 0.00 H new ATOM 0 H5 C A 15 -1.608 -10.941 -1.129 1.00 0.00 H new ATOM 0 H6 C A 15 0.530 -11.975 -1.733 1.00 0.00 H new TER 481 C A 15