USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -16:sc= 0.364 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -18:sc= 0.167 USER MOD Single : A 3 G O2' : rot -22:sc= -0.132 USER MOD Single : A 4 U O2' : rot -26:sc= 0.291 USER MOD Single : A 5 C O2' : rot -21:sc= 0.193 USER MOD Single : A 6 U O2' : rot -13:sc= -0.86 USER MOD Single : A 7 U O2' : rot -138:sc= -1.59! USER MOD Single : A 8 C O2' : rot 32:sc= 0.218 USER MOD Single : A 9 G O2' : rot -17:sc= 0.295 USER MOD Single : A 10 G O2' : rot -8:sc= -2.49! USER MOD Single : A 11 G O2' : rot -16:sc= 0.329 USER MOD Single : A 12 U O2' : rot -15:sc= 0.277 USER MOD Single : A 13 C O2' : rot -98:sc= 0.286 USER MOD Single : A 14 C O2' : rot -24:sc= 0.134 USER MOD Single : A 14 C O3' : rot 180:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 9.096 -4.346 4.497 1.00 0.00 O ATOM 2 C5' G A 1 10.264 -4.870 3.859 1.00 0.00 C ATOM 3 C4' G A 1 9.911 -5.708 2.634 1.00 0.00 C ATOM 4 O4' G A 1 9.015 -6.749 3.007 1.00 0.00 O ATOM 5 C3' G A 1 9.161 -4.972 1.545 1.00 0.00 C ATOM 6 O3' G A 1 10.135 -4.363 0.687 1.00 0.00 O ATOM 7 C2' G A 1 8.501 -6.106 0.773 1.00 0.00 C ATOM 8 O2' G A 1 9.422 -6.689 -0.156 1.00 0.00 O ATOM 9 C1' G A 1 8.169 -7.098 1.894 1.00 0.00 C ATOM 10 N9 G A 1 6.786 -6.953 2.359 1.00 0.00 N ATOM 11 C8 G A 1 6.363 -6.320 3.488 1.00 0.00 C ATOM 12 N7 G A 1 5.069 -6.330 3.646 1.00 0.00 N ATOM 13 C5 G A 1 4.605 -7.025 2.531 1.00 0.00 C ATOM 14 C6 G A 1 3.279 -7.356 2.146 1.00 0.00 C ATOM 15 O6 G A 1 2.228 -7.095 2.723 1.00 0.00 O ATOM 16 N1 G A 1 3.254 -8.060 0.958 1.00 0.00 N ATOM 17 C2 G A 1 4.360 -8.406 0.223 1.00 0.00 C ATOM 18 N2 G A 1 4.147 -9.077 -0.899 1.00 0.00 N ATOM 19 N3 G A 1 5.610 -8.104 0.568 1.00 0.00 N ATOM 20 C4 G A 1 5.656 -7.414 1.733 1.00 0.00 C ATOM 0 H5' G A 1 10.823 -5.480 4.568 1.00 0.00 H new ATOM 0 H5'' G A 1 10.916 -4.048 3.562 1.00 0.00 H new ATOM 0 H4' G A 1 10.880 -6.038 2.259 1.00 0.00 H new ATOM 0 H3' G A 1 8.465 -4.215 1.907 1.00 0.00 H new ATOM 0 H2' G A 1 7.639 -5.796 0.182 1.00 0.00 H new ATOM 0 HO2' G A 1 10.180 -6.082 -0.290 1.00 0.00 H new ATOM 0 HO5' G A 1 9.360 -3.816 5.278 1.00 0.00 H new ATOM 0 H1' G A 1 8.312 -8.114 1.526 1.00 0.00 H new ATOM 0 H8 G A 1 7.038 -5.852 4.189 1.00 0.00 H new ATOM 0 H1 G A 1 2.343 -8.345 0.599 1.00 0.00 H new ATOM 0 H21 G A 1 4.935 -9.358 -1.482 1.00 0.00 H new ATOM 0 H22 G A 1 3.195 -9.312 -1.180 1.00 0.00 H new ATOM 33 P G A 2 9.829 -2.953 -0.032 1.00 0.00 P ATOM 34 OP1 G A 2 11.102 -2.426 -0.577 1.00 0.00 O ATOM 35 OP2 G A 2 9.025 -2.124 0.892 1.00 0.00 O ATOM 36 O5' G A 2 8.887 -3.383 -1.270 1.00 0.00 O ATOM 37 C5' G A 2 9.457 -3.925 -2.470 1.00 0.00 C ATOM 38 C4' G A 2 8.407 -4.610 -3.341 1.00 0.00 C ATOM 39 O4' G A 2 7.734 -5.613 -2.571 1.00 0.00 O ATOM 40 C3' G A 2 7.276 -3.718 -3.827 1.00 0.00 C ATOM 41 O3' G A 2 7.675 -3.131 -5.075 1.00 0.00 O ATOM 42 C2' G A 2 6.191 -4.735 -4.131 1.00 0.00 C ATOM 43 O2' G A 2 6.474 -5.429 -5.351 1.00 0.00 O ATOM 44 C1' G A 2 6.340 -5.668 -2.932 1.00 0.00 C ATOM 45 N9 G A 2 5.558 -5.202 -1.778 1.00 0.00 N ATOM 46 C8 G A 2 5.970 -4.394 -0.756 1.00 0.00 C ATOM 47 N7 G A 2 5.042 -4.144 0.126 1.00 0.00 N ATOM 48 C5 G A 2 3.935 -4.840 -0.353 1.00 0.00 C ATOM 49 C6 G A 2 2.622 -4.949 0.179 1.00 0.00 C ATOM 50 O6 G A 2 2.169 -4.454 1.207 1.00 0.00 O ATOM 51 N1 G A 2 1.816 -5.742 -0.614 1.00 0.00 N ATOM 52 C2 G A 2 2.211 -6.356 -1.773 1.00 0.00 C ATOM 53 N2 G A 2 1.302 -7.077 -2.414 1.00 0.00 N ATOM 54 N3 G A 2 3.434 -6.267 -2.285 1.00 0.00 N ATOM 55 C4 G A 2 4.243 -5.492 -1.523 1.00 0.00 C ATOM 0 H5' G A 2 10.236 -4.641 -2.210 1.00 0.00 H new ATOM 0 H5'' G A 2 9.935 -3.126 -3.038 1.00 0.00 H new ATOM 0 H4' G A 2 8.977 -4.974 -4.196 1.00 0.00 H new ATOM 0 H3' G A 2 6.991 -2.930 -3.130 1.00 0.00 H new ATOM 0 H2' G A 2 5.194 -4.315 -4.263 1.00 0.00 H new ATOM 0 HO2' G A 2 7.131 -4.921 -5.871 1.00 0.00 H new ATOM 0 H1' G A 2 5.991 -6.668 -3.191 1.00 0.00 H new ATOM 0 H8 G A 2 6.972 -3.998 -0.685 1.00 0.00 H new ATOM 0 H1 G A 2 0.851 -5.881 -0.313 1.00 0.00 H new ATOM 0 H21 G A 2 1.548 -7.553 -3.282 1.00 0.00 H new ATOM 0 H22 G A 2 0.356 -7.155 -2.040 1.00 0.00 H new ATOM 67 P G A 3 6.937 -1.806 -5.626 1.00 0.00 P ATOM 68 OP1 G A 3 7.486 -1.496 -6.966 1.00 0.00 O ATOM 69 OP2 G A 3 6.972 -0.778 -4.561 1.00 0.00 O ATOM 70 O5' G A 3 5.410 -2.297 -5.805 1.00 0.00 O ATOM 71 C5' G A 3 4.997 -2.991 -6.990 1.00 0.00 C ATOM 72 C4' G A 3 3.502 -3.301 -6.984 1.00 0.00 C ATOM 73 O4' G A 3 3.171 -4.110 -5.851 1.00 0.00 O ATOM 74 C3' G A 3 2.591 -2.107 -6.817 1.00 0.00 C ATOM 75 O3' G A 3 2.393 -1.520 -8.110 1.00 0.00 O ATOM 76 C2' G A 3 1.288 -2.774 -6.404 1.00 0.00 C ATOM 77 O2' G A 3 0.623 -3.343 -7.540 1.00 0.00 O ATOM 78 C1' G A 3 1.799 -3.877 -5.469 1.00 0.00 C ATOM 79 N9 G A 3 1.753 -3.469 -4.051 1.00 0.00 N ATOM 80 C8 G A 3 2.769 -3.002 -3.257 1.00 0.00 C ATOM 81 N7 G A 3 2.394 -2.715 -2.042 1.00 0.00 N ATOM 82 C5 G A 3 1.035 -3.010 -2.032 1.00 0.00 C ATOM 83 C6 G A 3 0.082 -2.901 -0.982 1.00 0.00 C ATOM 84 O6 G A 3 0.252 -2.510 0.171 1.00 0.00 O ATOM 85 N1 G A 3 -1.174 -3.300 -1.391 1.00 0.00 N ATOM 86 C2 G A 3 -1.487 -3.752 -2.646 1.00 0.00 C ATOM 87 N2 G A 3 -2.750 -4.094 -2.864 1.00 0.00 N ATOM 88 N3 G A 3 -0.610 -3.864 -3.639 1.00 0.00 N ATOM 89 C4 G A 3 0.632 -3.473 -3.259 1.00 0.00 C ATOM 0 H5' G A 3 5.559 -3.921 -7.079 1.00 0.00 H new ATOM 0 H5'' G A 3 5.238 -2.388 -7.865 1.00 0.00 H new ATOM 0 H4' G A 3 3.345 -3.765 -7.958 1.00 0.00 H new ATOM 0 H3' G A 3 2.956 -1.345 -6.128 1.00 0.00 H new ATOM 0 H2' G A 3 0.563 -2.098 -5.951 1.00 0.00 H new ATOM 0 HO2' G A 3 0.941 -2.907 -8.358 1.00 0.00 H new ATOM 0 H1' G A 3 1.174 -4.766 -5.561 1.00 0.00 H new ATOM 0 H8 G A 3 3.784 -2.883 -3.606 1.00 0.00 H new ATOM 0 H1 G A 3 -1.928 -3.255 -0.706 1.00 0.00 H new ATOM 0 H21 G A 3 -3.034 -4.437 -3.782 1.00 0.00 H new ATOM 0 H22 G A 3 -3.437 -4.014 -2.114 1.00 0.00 H new ATOM 101 P U A 4 1.959 0.025 -8.249 1.00 0.00 P ATOM 102 OP1 U A 4 1.558 0.272 -9.653 1.00 0.00 O ATOM 103 OP2 U A 4 3.011 0.858 -7.624 1.00 0.00 O ATOM 104 O5' U A 4 0.640 0.110 -7.323 1.00 0.00 O ATOM 105 C5' U A 4 -0.628 -0.360 -7.801 1.00 0.00 C ATOM 106 C4' U A 4 -1.701 -0.290 -6.717 1.00 0.00 C ATOM 107 O4' U A 4 -1.326 -1.127 -5.614 1.00 0.00 O ATOM 108 C3' U A 4 -1.878 1.073 -6.079 1.00 0.00 C ATOM 109 O3' U A 4 -2.825 1.806 -6.865 1.00 0.00 O ATOM 110 C2' U A 4 -2.546 0.714 -4.762 1.00 0.00 C ATOM 111 O2' U A 4 -3.927 0.396 -4.960 1.00 0.00 O ATOM 112 C1' U A 4 -1.757 -0.537 -4.371 1.00 0.00 C ATOM 113 N1 U A 4 -0.565 -0.217 -3.554 1.00 0.00 N ATOM 114 C2 U A 4 -0.733 -0.108 -2.185 1.00 0.00 C ATOM 115 O2 U A 4 -1.825 -0.249 -1.636 1.00 0.00 O ATOM 116 N3 U A 4 0.399 0.187 -1.460 1.00 0.00 N ATOM 117 C4 U A 4 1.664 0.381 -1.969 1.00 0.00 C ATOM 118 O4 U A 4 2.592 0.651 -1.214 1.00 0.00 O ATOM 119 C5 U A 4 1.764 0.253 -3.404 1.00 0.00 C ATOM 120 C6 U A 4 0.664 -0.038 -4.138 1.00 0.00 C ATOM 0 H5' U A 4 -0.528 -1.388 -8.148 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.938 0.237 -8.659 1.00 0.00 H new ATOM 0 H4' U A 4 -2.615 -0.581 -7.235 1.00 0.00 H new ATOM 0 H3' U A 4 -0.961 1.655 -5.983 1.00 0.00 H new ATOM 0 H2' U A 4 -2.536 1.511 -4.019 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.258 0.857 -5.759 1.00 0.00 H new ATOM 0 H1' U A 4 -2.381 -1.199 -3.771 1.00 0.00 H new ATOM 0 H3 U A 4 0.291 0.270 -0.449 1.00 0.00 H new ATOM 0 H5 U A 4 2.718 0.390 -3.892 1.00 0.00 H new ATOM 0 H6 U A 4 0.756 -0.132 -5.210 1.00 0.00 H new ATOM 131 P C A 5 -2.772 3.417 -6.918 1.00 0.00 P ATOM 132 OP1 C A 5 -3.653 3.875 -8.013 1.00 0.00 O ATOM 133 OP2 C A 5 -1.351 3.834 -6.887 1.00 0.00 O ATOM 134 O5' C A 5 -3.445 3.834 -5.513 1.00 0.00 O ATOM 135 C5' C A 5 -4.867 3.979 -5.397 1.00 0.00 C ATOM 136 C4' C A 5 -5.284 4.390 -3.987 1.00 0.00 C ATOM 137 O4' C A 5 -4.885 3.382 -3.051 1.00 0.00 O ATOM 138 C3' C A 5 -4.616 5.641 -3.457 1.00 0.00 C ATOM 139 O3' C A 5 -5.389 6.768 -3.889 1.00 0.00 O ATOM 140 C2' C A 5 -4.822 5.483 -1.959 1.00 0.00 C ATOM 141 O2' C A 5 -6.174 5.786 -1.600 1.00 0.00 O ATOM 142 C1' C A 5 -4.541 3.988 -1.787 1.00 0.00 C ATOM 143 N1 C A 5 -3.119 3.707 -1.496 1.00 0.00 N ATOM 144 C2 C A 5 -2.738 3.627 -0.165 1.00 0.00 C ATOM 145 O2 C A 5 -3.559 3.811 0.730 1.00 0.00 O ATOM 146 N3 C A 5 -1.441 3.353 0.128 1.00 0.00 N ATOM 147 C4 C A 5 -0.547 3.165 -0.846 1.00 0.00 C ATOM 148 N4 C A 5 0.706 2.902 -0.489 1.00 0.00 N ATOM 149 C5 C A 5 -0.926 3.246 -2.222 1.00 0.00 C ATOM 150 C6 C A 5 -2.214 3.519 -2.501 1.00 0.00 C ATOM 0 H5' C A 5 -5.350 3.038 -5.659 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.215 4.726 -6.111 1.00 0.00 H new ATOM 0 H4' C A 5 -6.359 4.549 -4.074 1.00 0.00 H new ATOM 0 H3' C A 5 -3.580 5.775 -3.767 1.00 0.00 H new ATOM 0 H2' C A 5 -4.203 6.137 -1.344 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.580 6.345 -2.295 1.00 0.00 H new ATOM 0 H1' C A 5 -5.115 3.598 -0.946 1.00 0.00 H new ATOM 0 H41 C A 5 1.419 2.752 -1.203 1.00 0.00 H new ATOM 0 H42 C A 5 0.955 2.850 0.499 1.00 0.00 H new ATOM 0 H5 C A 5 -0.204 3.093 -3.010 1.00 0.00 H new ATOM 0 H6 C A 5 -2.535 3.590 -3.530 1.00 0.00 H new ATOM 162 P U A 6 -4.698 8.213 -4.071 1.00 0.00 P ATOM 163 OP1 U A 6 -5.737 9.174 -4.502 1.00 0.00 O ATOM 164 OP2 U A 6 -3.469 8.040 -4.879 1.00 0.00 O ATOM 165 O5' U A 6 -4.256 8.581 -2.565 1.00 0.00 O ATOM 166 C5' U A 6 -5.226 9.003 -1.597 1.00 0.00 C ATOM 167 C4' U A 6 -4.617 9.124 -0.202 1.00 0.00 C ATOM 168 O4' U A 6 -4.113 7.848 0.214 1.00 0.00 O ATOM 169 C3' U A 6 -3.411 10.038 -0.109 1.00 0.00 C ATOM 170 O3' U A 6 -3.900 11.357 0.168 1.00 0.00 O ATOM 171 C2' U A 6 -2.717 9.521 1.142 1.00 0.00 C ATOM 172 O2' U A 6 -3.379 9.989 2.322 1.00 0.00 O ATOM 173 C1' U A 6 -2.904 8.009 0.977 1.00 0.00 C ATOM 174 N1 U A 6 -1.792 7.371 0.239 1.00 0.00 N ATOM 175 C2 U A 6 -0.816 6.727 0.976 1.00 0.00 C ATOM 176 O2 U A 6 -0.835 6.679 2.205 1.00 0.00 O ATOM 177 N3 U A 6 0.193 6.133 0.253 1.00 0.00 N ATOM 178 C4 U A 6 0.315 6.126 -1.121 1.00 0.00 C ATOM 179 O4 U A 6 1.260 5.550 -1.649 1.00 0.00 O ATOM 180 C5 U A 6 -0.738 6.819 -1.824 1.00 0.00 C ATOM 181 C6 U A 6 -1.742 7.409 -1.131 1.00 0.00 C ATOM 0 H5' U A 6 -6.050 8.290 -1.573 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.644 9.964 -1.896 1.00 0.00 H new ATOM 0 H4' U A 6 -5.428 9.521 0.408 1.00 0.00 H new ATOM 0 H3' U A 6 -2.778 10.059 -0.996 1.00 0.00 H new ATOM 0 H2' U A 6 -1.680 9.840 1.247 1.00 0.00 H new ATOM 0 HO2' U A 6 -4.008 10.702 2.083 1.00 0.00 H new ATOM 0 H1' U A 6 -2.940 7.537 1.959 1.00 0.00 H new ATOM 0 H3 U A 6 0.920 5.652 0.783 1.00 0.00 H new ATOM 0 H5 U A 6 -0.726 6.867 -2.903 1.00 0.00 H new ATOM 0 H6 U A 6 -2.523 7.923 -1.672 1.00 0.00 H new ATOM 192 P U A 7 -2.987 12.655 -0.106 1.00 0.00 P ATOM 193 OP1 U A 7 -3.882 13.806 -0.365 1.00 0.00 O ATOM 194 OP2 U A 7 -1.943 12.292 -1.095 1.00 0.00 O ATOM 195 O5' U A 7 -2.272 12.878 1.320 1.00 0.00 O ATOM 196 C5' U A 7 -1.708 14.146 1.678 1.00 0.00 C ATOM 197 C4' U A 7 -1.550 14.275 3.189 1.00 0.00 C ATOM 198 O4' U A 7 -2.849 14.227 3.806 1.00 0.00 O ATOM 199 C3' U A 7 -0.761 13.139 3.836 1.00 0.00 C ATOM 200 O3' U A 7 -0.150 13.660 5.024 1.00 0.00 O ATOM 201 C2' U A 7 -1.846 12.165 4.267 1.00 0.00 C ATOM 202 O2' U A 7 -1.393 11.345 5.349 1.00 0.00 O ATOM 203 C1' U A 7 -2.923 13.135 4.733 1.00 0.00 C ATOM 204 N1 U A 7 -4.279 12.552 4.674 1.00 0.00 N ATOM 205 C2 U A 7 -4.988 12.457 5.857 1.00 0.00 C ATOM 206 O2 U A 7 -4.539 12.843 6.933 1.00 0.00 O ATOM 207 N3 U A 7 -6.245 11.907 5.766 1.00 0.00 N ATOM 208 C4 U A 7 -6.851 11.447 4.616 1.00 0.00 C ATOM 209 O4 U A 7 -7.984 10.978 4.667 1.00 0.00 O ATOM 210 C5 U A 7 -6.053 11.577 3.420 1.00 0.00 C ATOM 211 C6 U A 7 -4.811 12.116 3.487 1.00 0.00 C ATOM 0 H5' U A 7 -2.346 14.948 1.307 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.737 14.263 1.197 1.00 0.00 H new ATOM 0 H4' U A 7 -1.017 15.214 3.340 1.00 0.00 H new ATOM 0 H3' U A 7 -0.003 12.699 3.188 1.00 0.00 H new ATOM 0 H2' U A 7 -2.166 11.466 3.495 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.682 10.420 5.202 1.00 0.00 H new ATOM 0 H1' U A 7 -2.757 13.418 5.772 1.00 0.00 H new ATOM 0 H3 U A 7 -6.780 11.832 6.631 1.00 0.00 H new ATOM 0 H5 U A 7 -6.446 11.244 2.471 1.00 0.00 H new ATOM 0 H6 U A 7 -4.226 12.204 2.584 1.00 0.00 H new ATOM 222 P C A 8 1.454 13.665 5.173 1.00 0.00 P ATOM 223 OP1 C A 8 1.788 13.924 6.591 1.00 0.00 O ATOM 224 OP2 C A 8 2.013 14.536 4.112 1.00 0.00 O ATOM 225 O5' C A 8 1.844 12.139 4.826 1.00 0.00 O ATOM 226 C5' C A 8 1.504 11.074 5.724 1.00 0.00 C ATOM 227 C4' C A 8 2.009 9.720 5.228 1.00 0.00 C ATOM 228 O4' C A 8 1.341 9.373 4.002 1.00 0.00 O ATOM 229 C3' C A 8 3.503 9.674 4.898 1.00 0.00 C ATOM 230 O3' C A 8 3.957 8.337 5.168 1.00 0.00 O ATOM 231 C2' C A 8 3.535 9.876 3.389 1.00 0.00 C ATOM 232 O2' C A 8 4.717 9.297 2.824 1.00 0.00 O ATOM 233 C1' C A 8 2.294 9.100 2.974 1.00 0.00 C ATOM 234 N1 C A 8 1.733 9.547 1.680 1.00 0.00 N ATOM 235 C2 C A 8 1.832 8.684 0.598 1.00 0.00 C ATOM 236 O2 C A 8 2.397 7.600 0.720 1.00 0.00 O ATOM 237 N3 C A 8 1.289 9.062 -0.591 1.00 0.00 N ATOM 238 C4 C A 8 0.670 10.241 -0.715 1.00 0.00 C ATOM 239 N4 C A 8 0.143 10.542 -1.896 1.00 0.00 N ATOM 240 C5 C A 8 0.566 11.137 0.394 1.00 0.00 C ATOM 241 C6 C A 8 1.108 10.753 1.563 1.00 0.00 C ATOM 0 H5' C A 8 0.421 11.034 5.845 1.00 0.00 H new ATOM 0 H5'' C A 8 1.927 11.280 6.707 1.00 0.00 H new ATOM 0 H4' C A 8 1.808 9.037 6.053 1.00 0.00 H new ATOM 0 H3' C A 8 4.104 10.396 5.451 1.00 0.00 H new ATOM 0 H2' C A 8 3.546 10.917 3.067 1.00 0.00 H new ATOM 0 HO2' C A 8 4.975 8.507 3.344 1.00 0.00 H new ATOM 0 H1' C A 8 2.537 8.045 2.850 1.00 0.00 H new ATOM 0 H41 C A 8 -0.337 11.432 -2.028 1.00 0.00 H new ATOM 0 H42 C A 8 0.218 9.883 -2.671 1.00 0.00 H new ATOM 0 H5 C A 8 0.069 12.091 0.296 1.00 0.00 H new ATOM 0 H6 C A 8 1.048 11.408 2.420 1.00 0.00 H new ATOM 253 P G A 9 5.193 8.066 6.176 1.00 0.00 P ATOM 254 OP1 G A 9 6.012 9.297 6.246 1.00 0.00 O ATOM 255 OP2 G A 9 5.826 6.785 5.793 1.00 0.00 O ATOM 256 O5' G A 9 4.467 7.864 7.603 1.00 0.00 O ATOM 257 C5' G A 9 3.612 8.879 8.144 1.00 0.00 C ATOM 258 C4' G A 9 2.664 8.324 9.203 1.00 0.00 C ATOM 259 O4' G A 9 1.548 9.216 9.338 1.00 0.00 O ATOM 260 C3' G A 9 2.011 6.997 8.858 1.00 0.00 C ATOM 261 O3' G A 9 2.869 5.953 9.340 1.00 0.00 O ATOM 262 C2' G A 9 0.771 7.016 9.734 1.00 0.00 C ATOM 263 O2' G A 9 1.108 6.712 11.094 1.00 0.00 O ATOM 264 C1' G A 9 0.338 8.477 9.599 1.00 0.00 C ATOM 265 N9 G A 9 -0.616 8.693 8.484 1.00 0.00 N ATOM 266 C8 G A 9 -1.786 9.409 8.494 1.00 0.00 C ATOM 267 N7 G A 9 -2.415 9.411 7.353 1.00 0.00 N ATOM 268 C5 G A 9 -1.605 8.641 6.521 1.00 0.00 C ATOM 269 C6 G A 9 -1.773 8.285 5.151 1.00 0.00 C ATOM 270 O6 G A 9 -2.689 8.582 4.388 1.00 0.00 O ATOM 271 N1 G A 9 -0.730 7.501 4.699 1.00 0.00 N ATOM 272 C2 G A 9 0.340 7.102 5.456 1.00 0.00 C ATOM 273 N2 G A 9 1.261 6.362 4.857 1.00 0.00 N ATOM 274 N3 G A 9 0.511 7.424 6.735 1.00 0.00 N ATOM 275 C4 G A 9 -0.499 8.195 7.203 1.00 0.00 C ATOM 0 H5' G A 9 3.032 9.331 7.339 1.00 0.00 H new ATOM 0 H5'' G A 9 4.221 9.670 8.581 1.00 0.00 H new ATOM 0 H4' G A 9 3.291 8.205 10.087 1.00 0.00 H new ATOM 0 H3' G A 9 1.814 6.849 7.796 1.00 0.00 H new ATOM 0 H2' G A 9 0.008 6.291 9.453 1.00 0.00 H new ATOM 0 HO2' G A 9 1.995 6.297 11.126 1.00 0.00 H new ATOM 0 H1' G A 9 -0.176 8.796 10.506 1.00 0.00 H new ATOM 0 H8 G A 9 -2.153 9.925 9.369 1.00 0.00 H new ATOM 0 H1 G A 9 -0.758 7.195 3.726 1.00 0.00 H new ATOM 0 H21 G A 9 2.076 6.041 5.379 1.00 0.00 H new ATOM 0 H22 G A 9 1.155 6.113 3.873 1.00 0.00 H new ATOM 287 P G A 10 3.554 4.907 8.321 1.00 0.00 P ATOM 288 OP1 G A 10 4.945 4.669 8.769 1.00 0.00 O ATOM 289 OP2 G A 10 3.297 5.362 6.932 1.00 0.00 O ATOM 290 O5' G A 10 2.709 3.550 8.566 1.00 0.00 O ATOM 291 C5' G A 10 2.069 3.298 9.825 1.00 0.00 C ATOM 292 C4' G A 10 0.544 3.356 9.717 1.00 0.00 C ATOM 293 O4' G A 10 0.205 4.450 8.850 1.00 0.00 O ATOM 294 C3' G A 10 -0.099 2.153 9.044 1.00 0.00 C ATOM 295 O3' G A 10 -0.492 1.231 10.068 1.00 0.00 O ATOM 296 C2' G A 10 -1.366 2.747 8.459 1.00 0.00 C ATOM 297 O2' G A 10 -2.341 2.978 9.482 1.00 0.00 O ATOM 298 C1' G A 10 -0.826 4.062 7.924 1.00 0.00 C ATOM 299 N9 G A 10 -0.185 3.872 6.614 1.00 0.00 N ATOM 300 C8 G A 10 1.103 3.478 6.360 1.00 0.00 C ATOM 301 N7 G A 10 1.371 3.353 5.092 1.00 0.00 N ATOM 302 C5 G A 10 0.176 3.685 4.462 1.00 0.00 C ATOM 303 C6 G A 10 -0.146 3.728 3.080 1.00 0.00 C ATOM 304 O6 G A 10 0.578 3.493 2.117 1.00 0.00 O ATOM 305 N1 G A 10 -1.458 4.107 2.876 1.00 0.00 N ATOM 306 C2 G A 10 -2.354 4.412 3.869 1.00 0.00 C ATOM 307 N2 G A 10 -3.577 4.753 3.489 1.00 0.00 N ATOM 308 N3 G A 10 -2.070 4.379 5.168 1.00 0.00 N ATOM 309 C4 G A 10 -0.786 4.006 5.390 1.00 0.00 C ATOM 0 H5' G A 10 2.408 4.031 10.557 1.00 0.00 H new ATOM 0 H5'' G A 10 2.369 2.317 10.194 1.00 0.00 H new ATOM 0 H4' G A 10 0.188 3.427 10.745 1.00 0.00 H new ATOM 0 H3' G A 10 0.544 1.649 8.322 1.00 0.00 H new ATOM 0 H2' G A 10 -1.869 2.121 7.722 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.031 2.584 10.324 1.00 0.00 H new ATOM 0 H1' G A 10 -1.628 4.792 7.818 1.00 0.00 H new ATOM 0 H8 G A 10 1.827 3.289 7.138 1.00 0.00 H new ATOM 0 H1 G A 10 -1.786 4.165 1.912 1.00 0.00 H new ATOM 0 H21 G A 10 -4.281 4.989 4.188 1.00 0.00 H new ATOM 0 H22 G A 10 -3.814 4.779 2.497 1.00 0.00 H new ATOM 321 P G A 11 -0.787 -0.315 9.708 1.00 0.00 P ATOM 322 OP1 G A 11 -1.273 -0.991 10.932 1.00 0.00 O ATOM 323 OP2 G A 11 0.389 -0.855 8.988 1.00 0.00 O ATOM 324 O5' G A 11 -2.014 -0.214 8.664 1.00 0.00 O ATOM 325 C5' G A 11 -3.294 0.274 9.086 1.00 0.00 C ATOM 326 C4' G A 11 -4.214 0.590 7.906 1.00 0.00 C ATOM 327 O4' G A 11 -3.566 1.499 7.010 1.00 0.00 O ATOM 328 C3' G A 11 -4.549 -0.581 7.006 1.00 0.00 C ATOM 329 O3' G A 11 -5.665 -1.270 7.586 1.00 0.00 O ATOM 330 C2' G A 11 -5.046 0.130 5.756 1.00 0.00 C ATOM 331 O2' G A 11 -6.388 0.596 5.943 1.00 0.00 O ATOM 332 C1' G A 11 -4.074 1.313 5.672 1.00 0.00 C ATOM 333 N9 G A 11 -2.942 1.051 4.757 1.00 0.00 N ATOM 334 C8 G A 11 -1.607 0.945 5.053 1.00 0.00 C ATOM 335 N7 G A 11 -0.856 0.727 4.009 1.00 0.00 N ATOM 336 C5 G A 11 -1.757 0.687 2.950 1.00 0.00 C ATOM 337 C6 G A 11 -1.524 0.480 1.560 1.00 0.00 C ATOM 338 O6 G A 11 -0.459 0.296 0.982 1.00 0.00 O ATOM 339 N1 G A 11 -2.702 0.511 0.839 1.00 0.00 N ATOM 340 C2 G A 11 -3.948 0.715 1.373 1.00 0.00 C ATOM 341 N2 G A 11 -4.973 0.708 0.533 1.00 0.00 N ATOM 342 N3 G A 11 -4.181 0.911 2.670 1.00 0.00 N ATOM 343 C4 G A 11 -3.039 0.883 3.397 1.00 0.00 C ATOM 0 H5' G A 11 -3.157 1.173 9.688 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.770 -0.469 9.726 1.00 0.00 H new ATOM 0 H4' G A 11 -5.116 0.963 8.392 1.00 0.00 H new ATOM 0 H3' G A 11 -3.732 -1.284 6.842 1.00 0.00 H new ATOM 0 H2' G A 11 -5.070 -0.496 4.864 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.788 0.141 6.713 1.00 0.00 H new ATOM 0 H1' G A 11 -4.591 2.190 5.283 1.00 0.00 H new ATOM 0 H8 G A 11 -1.215 1.034 6.055 1.00 0.00 H new ATOM 0 H1 G A 11 -2.640 0.371 -0.169 1.00 0.00 H new ATOM 0 H21 G A 11 -5.920 0.855 0.883 1.00 0.00 H new ATOM 0 H22 G A 11 -4.815 0.555 -0.463 1.00 0.00 H new ATOM 355 P U A 12 -5.814 -2.867 7.432 1.00 0.00 P ATOM 356 OP1 U A 12 -7.142 -3.262 7.954 1.00 0.00 O ATOM 357 OP2 U A 12 -4.591 -3.501 7.970 1.00 0.00 O ATOM 358 O5' U A 12 -5.819 -3.064 5.832 1.00 0.00 O ATOM 359 C5' U A 12 -7.013 -2.853 5.067 1.00 0.00 C ATOM 360 C4' U A 12 -6.754 -3.005 3.571 1.00 0.00 C ATOM 361 O4' U A 12 -5.830 -1.997 3.142 1.00 0.00 O ATOM 362 C3' U A 12 -6.084 -4.304 3.171 1.00 0.00 C ATOM 363 O3' U A 12 -7.122 -5.258 2.906 1.00 0.00 O ATOM 364 C2' U A 12 -5.439 -3.939 1.846 1.00 0.00 C ATOM 365 O2' U A 12 -6.410 -3.918 0.796 1.00 0.00 O ATOM 366 C1' U A 12 -4.936 -2.525 2.144 1.00 0.00 C ATOM 367 N1 U A 12 -3.562 -2.514 2.692 1.00 0.00 N ATOM 368 C2 U A 12 -2.512 -2.534 1.793 1.00 0.00 C ATOM 369 O2 U A 12 -2.682 -2.581 0.579 1.00 0.00 O ATOM 370 N3 U A 12 -1.249 -2.512 2.340 1.00 0.00 N ATOM 371 C4 U A 12 -0.944 -2.473 3.685 1.00 0.00 C ATOM 372 O4 U A 12 0.227 -2.466 4.047 1.00 0.00 O ATOM 373 C5 U A 12 -2.090 -2.456 4.562 1.00 0.00 C ATOM 374 C6 U A 12 -3.341 -2.476 4.045 1.00 0.00 C ATOM 0 H5' U A 12 -7.405 -1.856 5.270 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.777 -3.565 5.379 1.00 0.00 H new ATOM 0 H4' U A 12 -7.745 -2.946 3.120 1.00 0.00 H new ATOM 0 H3' U A 12 -5.393 -4.707 3.911 1.00 0.00 H new ATOM 0 H2' U A 12 -4.668 -4.634 1.514 1.00 0.00 H new ATOM 0 HO2' U A 12 -7.229 -4.364 1.099 1.00 0.00 H new ATOM 0 H1' U A 12 -4.914 -1.942 1.223 1.00 0.00 H new ATOM 0 H3 U A 12 -0.464 -2.526 1.689 1.00 0.00 H new ATOM 0 H5 U A 12 -1.949 -2.427 5.632 1.00 0.00 H new ATOM 0 H6 U A 12 -4.187 -2.462 4.716 1.00 0.00 H new ATOM 385 P C A 13 -7.043 -6.746 3.518 1.00 0.00 P ATOM 386 OP1 C A 13 -8.410 -7.313 3.537 1.00 0.00 O ATOM 387 OP2 C A 13 -6.246 -6.697 4.763 1.00 0.00 O ATOM 388 O5' C A 13 -6.182 -7.533 2.405 1.00 0.00 O ATOM 389 C5' C A 13 -6.792 -7.968 1.183 1.00 0.00 C ATOM 390 C4' C A 13 -5.753 -8.253 0.101 1.00 0.00 C ATOM 391 O4' C A 13 -4.990 -7.070 -0.153 1.00 0.00 O ATOM 392 C3' C A 13 -4.697 -9.273 0.473 1.00 0.00 C ATOM 393 O3' C A 13 -5.218 -10.570 0.151 1.00 0.00 O ATOM 394 C2' C A 13 -3.595 -8.953 -0.523 1.00 0.00 C ATOM 395 O2' C A 13 -3.902 -9.491 -1.812 1.00 0.00 O ATOM 396 C1' C A 13 -3.650 -7.421 -0.549 1.00 0.00 C ATOM 397 N1 C A 13 -2.694 -6.806 0.398 1.00 0.00 N ATOM 398 C2 C A 13 -1.481 -6.366 -0.109 1.00 0.00 C ATOM 399 O2 C A 13 -1.226 -6.486 -1.304 1.00 0.00 O ATOM 400 N3 C A 13 -0.582 -5.804 0.739 1.00 0.00 N ATOM 401 C4 C A 13 -0.859 -5.677 2.039 1.00 0.00 C ATOM 402 N4 C A 13 0.068 -5.122 2.815 1.00 0.00 N ATOM 403 C5 C A 13 -2.107 -6.124 2.576 1.00 0.00 C ATOM 404 C6 C A 13 -2.991 -6.679 1.724 1.00 0.00 C ATOM 0 H5' C A 13 -7.484 -7.204 0.830 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.379 -8.868 1.370 1.00 0.00 H new ATOM 0 H4' C A 13 -6.346 -8.620 -0.737 1.00 0.00 H new ATOM 0 H3' C A 13 -4.386 -9.254 1.518 1.00 0.00 H new ATOM 0 H2' C A 13 -2.621 -9.365 -0.261 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.430 -10.342 -1.932 1.00 0.00 H new ATOM 0 H1' C A 13 -3.386 -7.059 -1.542 1.00 0.00 H new ATOM 0 H41 C A 13 -0.105 -5.007 3.814 1.00 0.00 H new ATOM 0 H42 C A 13 0.952 -4.811 2.411 1.00 0.00 H new ATOM 0 H5 C A 13 -2.333 -6.020 3.627 1.00 0.00 H new ATOM 0 H6 C A 13 -3.944 -7.027 2.094 1.00 0.00 H new ATOM 416 P C A 14 -5.227 -11.754 1.246 1.00 0.00 P ATOM 417 OP1 C A 14 -6.435 -12.580 1.028 1.00 0.00 O ATOM 418 OP2 C A 14 -4.967 -11.159 2.578 1.00 0.00 O ATOM 419 O5' C A 14 -3.935 -12.629 0.833 1.00 0.00 O ATOM 420 C5' C A 14 -3.877 -13.312 -0.427 1.00 0.00 C ATOM 421 C4' C A 14 -2.488 -13.218 -1.050 1.00 0.00 C ATOM 422 O4' C A 14 -2.135 -11.839 -1.205 1.00 0.00 O ATOM 423 C3' C A 14 -1.367 -13.793 -0.197 1.00 0.00 C ATOM 424 O3' C A 14 -1.252 -15.207 -0.385 1.00 0.00 O ATOM 425 C2' C A 14 -0.162 -13.063 -0.775 1.00 0.00 C ATOM 426 O2' C A 14 0.217 -13.634 -2.034 1.00 0.00 O ATOM 427 C1' C A 14 -0.730 -11.655 -0.973 1.00 0.00 C ATOM 428 N1 C A 14 -0.557 -10.796 0.220 1.00 0.00 N ATOM 429 C2 C A 14 0.479 -9.873 0.214 1.00 0.00 C ATOM 430 O2 C A 14 1.228 -9.783 -0.757 1.00 0.00 O ATOM 431 N3 C A 14 0.649 -9.075 1.299 1.00 0.00 N ATOM 432 C4 C A 14 -0.166 -9.174 2.355 1.00 0.00 C ATOM 433 N4 C A 14 0.061 -8.369 3.387 1.00 0.00 N ATOM 434 C5 C A 14 -1.236 -10.119 2.373 1.00 0.00 C ATOM 435 C6 C A 14 -1.398 -10.906 1.294 1.00 0.00 C ATOM 0 H5' C A 14 -4.612 -12.884 -1.108 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.144 -14.359 -0.287 1.00 0.00 H new ATOM 0 H4' C A 14 -2.566 -13.783 -1.979 1.00 0.00 H new ATOM 0 H3' C A 14 -1.502 -13.662 0.877 1.00 0.00 H new ATOM 0 H2' C A 14 0.731 -13.105 -0.151 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.091 -14.563 -2.078 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.524 -15.553 0.172 1.00 0.00 H new ATOM 0 H1' C A 14 -0.210 -11.160 -1.793 1.00 0.00 H new ATOM 0 H41 C A 14 -0.539 -8.414 4.211 1.00 0.00 H new ATOM 0 H42 C A 14 0.835 -7.705 3.356 1.00 0.00 H new ATOM 0 H5 C A 14 -1.894 -10.199 3.225 1.00 0.00 H new ATOM 0 H6 C A 14 -2.199 -11.631 1.275 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.800 -0.854 2.446 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.182 -1.571 0.700 1.00 0.00 N HETATM 451 N2 NCO A 15 4.419 -0.137 4.192 1.00 0.00 N HETATM 452 N3 NCO A 15 1.971 -0.173 2.813 1.00 0.00 N HETATM 453 N4 NCO A 15 5.630 -1.536 2.077 1.00 0.00 N HETATM 454 N5 NCO A 15 4.266 0.869 1.573 1.00 0.00 N HETATM 455 N6 NCO A 15 3.335 -2.577 3.318 1.00 0.00 N