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 -23:sc= 0.394 USER MOD Single : A 1 G O5' : rot 68:sc= 0.343 USER MOD Single : A 2 G O2' : rot -15:sc= -0.267 USER MOD Single : A 3 G O2' : rot -28:sc= 0.308 USER MOD Single : A 4 U O2' : rot -25:sc= 0.267 USER MOD Single : A 5 C O2' : rot -21:sc= 0.217 USER MOD Single : A 6 U O2' : rot 171:sc= -1.27 USER MOD Single : A 7 U O2' : rot -141:sc= -2.36! USER MOD Single : A 8 C O2' : rot 31:sc= 0.226 USER MOD Single : A 9 G O2' : rot -17:sc= 0.28 USER MOD Single : A 10 G O2' : rot 2:sc= -2.12! USER MOD Single : A 11 G O2' : rot -17:sc= 0.299 USER MOD Single : A 12 U O2' : rot -20:sc= 0.314 USER MOD Single : A 13 C O2' : rot -14:sc= 0.311 USER MOD Single : A 14 C O2' : rot -17:sc= 0.105 USER MOD Single : A 14 C O3' : rot 180:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.360 -3.884 2.211 1.00 0.00 O ATOM 2 C5' G A 1 9.512 -4.955 2.641 1.00 0.00 C ATOM 3 C4' G A 1 9.446 -6.069 1.604 1.00 0.00 C ATOM 4 O4' G A 1 8.546 -7.081 2.048 1.00 0.00 O ATOM 5 C3' G A 1 8.885 -5.660 0.259 1.00 0.00 C ATOM 6 O3' G A 1 9.981 -5.193 -0.538 1.00 0.00 O ATOM 7 C2' G A 1 8.414 -6.985 -0.324 1.00 0.00 C ATOM 8 O2' G A 1 9.516 -7.692 -0.902 1.00 0.00 O ATOM 9 C1' G A 1 7.906 -7.715 0.926 1.00 0.00 C ATOM 10 N9 G A 1 6.461 -7.530 1.110 1.00 0.00 N ATOM 11 C8 G A 1 5.838 -6.497 1.750 1.00 0.00 C ATOM 12 N7 G A 1 4.539 -6.595 1.767 1.00 0.00 N ATOM 13 C5 G A 1 4.286 -7.783 1.087 1.00 0.00 C ATOM 14 C6 G A 1 3.051 -8.418 0.786 1.00 0.00 C ATOM 15 O6 G A 1 1.914 -8.050 1.068 1.00 0.00 O ATOM 16 N1 G A 1 3.240 -9.593 0.088 1.00 0.00 N ATOM 17 C2 G A 1 4.457 -10.104 -0.280 1.00 0.00 C ATOM 18 N2 G A 1 4.448 -11.250 -0.948 1.00 0.00 N ATOM 19 N3 G A 1 5.625 -9.524 -0.008 1.00 0.00 N ATOM 20 C4 G A 1 5.462 -8.367 0.678 1.00 0.00 C ATOM 0 H5' G A 1 8.509 -4.572 2.829 1.00 0.00 H new ATOM 0 H5'' G A 1 9.882 -5.357 3.584 1.00 0.00 H new ATOM 0 H4' G A 1 10.483 -6.384 1.492 1.00 0.00 H new ATOM 0 H3' G A 1 8.110 -4.895 0.306 1.00 0.00 H new ATOM 0 H2' G A 1 7.669 -6.886 -1.114 1.00 0.00 H new ATOM 0 HO2' G A 1 10.229 -7.058 -1.128 1.00 0.00 H new ATOM 0 HO5' G A 1 9.948 -3.427 1.448 1.00 0.00 H new ATOM 0 H1' G A 1 8.119 -8.780 0.834 1.00 0.00 H new ATOM 0 H8 G A 1 6.373 -5.674 2.201 1.00 0.00 H new ATOM 0 H1 G A 1 2.409 -10.123 -0.175 1.00 0.00 H new ATOM 0 H21 G A 1 5.327 -11.674 -1.246 1.00 0.00 H new ATOM 0 H22 G A 1 3.562 -11.707 -1.164 1.00 0.00 H new ATOM 33 P G A 2 9.914 -3.749 -1.256 1.00 0.00 P ATOM 34 OP1 G A 2 11.276 -3.394 -1.711 1.00 0.00 O ATOM 35 OP2 G A 2 9.168 -2.826 -0.372 1.00 0.00 O ATOM 36 O5' G A 2 9.003 -4.047 -2.555 1.00 0.00 O ATOM 37 C5' G A 2 9.598 -4.502 -3.777 1.00 0.00 C ATOM 38 C4' G A 2 8.583 -5.196 -4.683 1.00 0.00 C ATOM 39 O4' G A 2 7.965 -6.274 -3.971 1.00 0.00 O ATOM 40 C3' G A 2 7.408 -4.341 -5.123 1.00 0.00 C ATOM 41 O3' G A 2 7.779 -3.657 -6.329 1.00 0.00 O ATOM 42 C2' G A 2 6.386 -5.400 -5.495 1.00 0.00 C ATOM 43 O2' G A 2 6.721 -6.012 -6.745 1.00 0.00 O ATOM 44 C1' G A 2 6.578 -6.385 -4.344 1.00 0.00 C ATOM 45 N9 G A 2 5.767 -6.018 -3.174 1.00 0.00 N ATOM 46 C8 G A 2 6.138 -5.256 -2.102 1.00 0.00 C ATOM 47 N7 G A 2 5.187 -5.079 -1.228 1.00 0.00 N ATOM 48 C5 G A 2 4.108 -5.775 -1.768 1.00 0.00 C ATOM 49 C6 G A 2 2.787 -5.945 -1.269 1.00 0.00 C ATOM 50 O6 G A 2 2.295 -5.504 -0.234 1.00 0.00 O ATOM 51 N1 G A 2 2.018 -6.716 -2.120 1.00 0.00 N ATOM 52 C2 G A 2 2.454 -7.257 -3.302 1.00 0.00 C ATOM 53 N2 G A 2 1.577 -7.962 -4.003 1.00 0.00 N ATOM 54 N3 G A 2 3.684 -7.108 -3.782 1.00 0.00 N ATOM 55 C4 G A 2 4.456 -6.355 -2.962 1.00 0.00 C ATOM 0 H5' G A 2 10.412 -5.191 -3.550 1.00 0.00 H new ATOM 0 H5'' G A 2 10.036 -3.655 -4.305 1.00 0.00 H new ATOM 0 H4' G A 2 9.171 -5.484 -5.554 1.00 0.00 H new ATOM 0 H3' G A 2 7.074 -3.613 -4.384 1.00 0.00 H new ATOM 0 H2' G A 2 5.368 -5.031 -5.619 1.00 0.00 H new ATOM 0 HO2' G A 2 7.387 -5.464 -7.210 1.00 0.00 H new ATOM 0 H1' G A 2 6.284 -7.387 -4.655 1.00 0.00 H new ATOM 0 H8 G A 2 7.128 -4.839 -1.989 1.00 0.00 H new ATOM 0 H1 G A 2 1.052 -6.896 -1.848 1.00 0.00 H new ATOM 0 H21 G A 2 1.854 -8.384 -4.889 1.00 0.00 H new ATOM 0 H22 G A 2 0.625 -8.082 -3.656 1.00 0.00 H new ATOM 67 P G A 3 6.984 -2.333 -6.794 1.00 0.00 P ATOM 68 OP1 G A 3 7.486 -1.938 -8.129 1.00 0.00 O ATOM 69 OP2 G A 3 7.012 -1.359 -5.679 1.00 0.00 O ATOM 70 O5' G A 3 5.468 -2.864 -6.961 1.00 0.00 O ATOM 71 C5' G A 3 5.083 -3.623 -8.114 1.00 0.00 C ATOM 72 C4' G A 3 3.631 -4.089 -8.037 1.00 0.00 C ATOM 73 O4' G A 3 3.428 -4.874 -6.857 1.00 0.00 O ATOM 74 C3' G A 3 2.601 -2.992 -7.886 1.00 0.00 C ATOM 75 O3' G A 3 2.296 -2.485 -9.190 1.00 0.00 O ATOM 76 C2' G A 3 1.394 -3.784 -7.405 1.00 0.00 C ATOM 77 O2' G A 3 0.783 -4.483 -8.493 1.00 0.00 O ATOM 78 C1' G A 3 2.053 -4.766 -6.430 1.00 0.00 C ATOM 79 N9 G A 3 2.009 -4.278 -5.038 1.00 0.00 N ATOM 80 C8 G A 3 3.028 -3.786 -4.264 1.00 0.00 C ATOM 81 N7 G A 3 2.648 -3.417 -3.071 1.00 0.00 N ATOM 82 C5 G A 3 1.283 -3.685 -3.055 1.00 0.00 C ATOM 83 C6 G A 3 0.323 -3.492 -2.024 1.00 0.00 C ATOM 84 O6 G A 3 0.491 -3.037 -0.897 1.00 0.00 O ATOM 85 N1 G A 3 -0.939 -3.892 -2.422 1.00 0.00 N ATOM 86 C2 G A 3 -1.247 -4.412 -3.652 1.00 0.00 C ATOM 87 N2 G A 3 -2.513 -4.738 -3.867 1.00 0.00 N ATOM 88 N3 G A 3 -0.363 -4.600 -4.626 1.00 0.00 N ATOM 89 C4 G A 3 0.882 -4.214 -4.257 1.00 0.00 C ATOM 0 H5' G A 3 5.737 -4.490 -8.212 1.00 0.00 H new ATOM 0 H5'' G A 3 5.222 -3.017 -9.009 1.00 0.00 H new ATOM 0 H4' G A 3 3.492 -4.612 -8.983 1.00 0.00 H new ATOM 0 H3' G A 3 2.902 -2.165 -7.242 1.00 0.00 H new ATOM 0 H2' G A 3 0.602 -3.178 -6.966 1.00 0.00 H new ATOM 0 HO2' G A 3 0.946 -3.996 -9.328 1.00 0.00 H new ATOM 0 H1' G A 3 1.528 -5.721 -6.442 1.00 0.00 H new ATOM 0 H8 G A 3 4.049 -3.711 -4.609 1.00 0.00 H new ATOM 0 H1 G A 3 -1.699 -3.793 -1.749 1.00 0.00 H new ATOM 0 H21 G A 3 -2.793 -5.129 -4.766 1.00 0.00 H new ATOM 0 H22 G A 3 -3.207 -4.598 -3.133 1.00 0.00 H new ATOM 101 P U A 4 1.860 -0.946 -9.384 1.00 0.00 P ATOM 102 OP1 U A 4 1.377 -0.773 -10.773 1.00 0.00 O ATOM 103 OP2 U A 4 2.949 -0.089 -8.868 1.00 0.00 O ATOM 104 O5' U A 4 0.599 -0.809 -8.387 1.00 0.00 O ATOM 105 C5' U A 4 -0.708 -1.244 -8.788 1.00 0.00 C ATOM 106 C4' U A 4 -1.727 -1.087 -7.663 1.00 0.00 C ATOM 107 O4' U A 4 -1.339 -1.892 -6.542 1.00 0.00 O ATOM 108 C3' U A 4 -1.827 0.306 -7.075 1.00 0.00 C ATOM 109 O3' U A 4 -2.772 1.043 -7.859 1.00 0.00 O ATOM 110 C2' U A 4 -2.458 0.027 -5.723 1.00 0.00 C ATOM 111 O2' U A 4 -3.856 -0.243 -5.857 1.00 0.00 O ATOM 112 C1' U A 4 -1.702 -1.238 -5.308 1.00 0.00 C ATOM 113 N1 U A 4 -0.470 -0.935 -4.547 1.00 0.00 N ATOM 114 C2 U A 4 -0.596 -0.706 -3.190 1.00 0.00 C ATOM 115 O2 U A 4 -1.678 -0.730 -2.609 1.00 0.00 O ATOM 116 N3 U A 4 0.571 -0.428 -2.514 1.00 0.00 N ATOM 117 C4 U A 4 1.833 -0.354 -3.065 1.00 0.00 C ATOM 118 O4 U A 4 2.793 -0.083 -2.355 1.00 0.00 O ATOM 119 C5 U A 4 1.887 -0.603 -4.487 1.00 0.00 C ATOM 120 C6 U A 4 0.751 -0.881 -5.169 1.00 0.00 C ATOM 0 H5' U A 4 -0.665 -2.289 -9.096 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.032 -0.669 -9.655 1.00 0.00 H new ATOM 0 H4' U A 4 -2.672 -1.363 -8.132 1.00 0.00 H new ATOM 0 H3' U A 4 -0.886 0.854 -7.033 1.00 0.00 H new ATOM 0 H2' U A 4 -2.390 0.853 -5.015 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.195 0.185 -6.671 1.00 0.00 H new ATOM 0 H1' U A 4 -2.328 -1.851 -4.659 1.00 0.00 H new ATOM 0 H3 U A 4 0.495 -0.261 -1.511 1.00 0.00 H new ATOM 0 H5 U A 4 2.833 -0.567 -5.006 1.00 0.00 H new ATOM 0 H6 U A 4 0.808 -1.065 -6.232 1.00 0.00 H new ATOM 131 P C A 5 -2.681 2.650 -7.953 1.00 0.00 P ATOM 132 OP1 C A 5 -3.564 3.103 -9.052 1.00 0.00 O ATOM 133 OP2 C A 5 -1.251 3.033 -7.949 1.00 0.00 O ATOM 134 O5' C A 5 -3.328 3.119 -6.553 1.00 0.00 O ATOM 135 C5' C A 5 -4.747 3.272 -6.415 1.00 0.00 C ATOM 136 C4' C A 5 -5.135 3.707 -5.005 1.00 0.00 C ATOM 137 O4' C A 5 -4.707 2.719 -4.060 1.00 0.00 O ATOM 138 C3' C A 5 -4.462 4.972 -4.513 1.00 0.00 C ATOM 139 O3' C A 5 -5.256 6.086 -4.942 1.00 0.00 O ATOM 140 C2' C A 5 -4.629 4.840 -3.009 1.00 0.00 C ATOM 141 O2' C A 5 -5.971 5.147 -2.619 1.00 0.00 O ATOM 142 C1' C A 5 -4.340 3.349 -2.816 1.00 0.00 C ATOM 143 N1 C A 5 -2.911 3.078 -2.545 1.00 0.00 N ATOM 144 C2 C A 5 -2.508 3.021 -1.219 1.00 0.00 C ATOM 145 O2 C A 5 -3.318 3.202 -0.313 1.00 0.00 O ATOM 146 N3 C A 5 -1.202 2.770 -0.942 1.00 0.00 N ATOM 147 C4 C A 5 -0.320 2.580 -1.929 1.00 0.00 C ATOM 148 N4 C A 5 0.942 2.343 -1.588 1.00 0.00 N ATOM 149 C5 C A 5 -0.724 2.637 -3.299 1.00 0.00 C ATOM 150 C6 C A 5 -2.020 2.887 -3.562 1.00 0.00 C ATOM 0 H5' C A 5 -5.239 2.329 -6.653 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.105 4.009 -7.134 1.00 0.00 H new ATOM 0 H4' C A 5 -6.213 3.858 -5.070 1.00 0.00 H new ATOM 0 H3' C A 5 -3.435 5.106 -4.852 1.00 0.00 H new ATOM 0 H2' C A 5 -3.996 5.506 -2.423 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.397 5.691 -3.314 1.00 0.00 H new ATOM 0 H1' C A 5 -4.897 2.972 -1.958 1.00 0.00 H new ATOM 0 H41 C A 5 1.646 2.193 -2.311 1.00 0.00 H new ATOM 0 H42 C A 5 1.207 2.311 -0.604 1.00 0.00 H new ATOM 0 H5 C A 5 -0.012 2.484 -4.097 1.00 0.00 H new ATOM 0 H6 C A 5 -2.358 2.937 -4.586 1.00 0.00 H new ATOM 162 P U A 6 -4.585 7.539 -5.146 1.00 0.00 P ATOM 163 OP1 U A 6 -5.647 8.488 -5.551 1.00 0.00 O ATOM 164 OP2 U A 6 -3.380 7.379 -5.988 1.00 0.00 O ATOM 165 O5' U A 6 -4.107 7.919 -3.655 1.00 0.00 O ATOM 166 C5' U A 6 -5.051 8.355 -2.667 1.00 0.00 C ATOM 167 C4' U A 6 -4.416 8.451 -1.283 1.00 0.00 C ATOM 168 O4' U A 6 -3.901 7.165 -0.906 1.00 0.00 O ATOM 169 C3' U A 6 -3.209 9.362 -1.191 1.00 0.00 C ATOM 170 O3' U A 6 -3.690 10.675 -0.875 1.00 0.00 O ATOM 171 C2' U A 6 -2.491 8.818 0.033 1.00 0.00 C ATOM 172 O2' U A 6 -3.137 9.253 1.235 1.00 0.00 O ATOM 173 C1' U A 6 -2.675 7.311 -0.167 1.00 0.00 C ATOM 174 N1 U A 6 -1.581 6.704 -0.956 1.00 0.00 N ATOM 175 C2 U A 6 -0.574 6.054 -0.265 1.00 0.00 C ATOM 176 O2 U A 6 -0.558 5.971 0.961 1.00 0.00 O ATOM 177 N3 U A 6 0.423 5.499 -1.034 1.00 0.00 N ATOM 178 C4 U A 6 0.505 5.532 -2.409 1.00 0.00 C ATOM 179 O4 U A 6 1.443 4.984 -2.979 1.00 0.00 O ATOM 180 C5 U A 6 -0.579 6.226 -3.061 1.00 0.00 C ATOM 181 C6 U A 6 -1.571 6.781 -2.325 1.00 0.00 C ATOM 0 H5' U A 6 -5.891 7.661 -2.635 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.452 9.328 -2.951 1.00 0.00 H new ATOM 0 H4' U A 6 -5.216 8.838 -0.651 1.00 0.00 H new ATOM 0 H3' U A 6 -2.594 9.402 -2.090 1.00 0.00 H new ATOM 0 H2' U A 6 -1.454 9.139 0.129 1.00 0.00 H new ATOM 0 HO2' U A 6 -2.754 8.779 2.002 1.00 0.00 H new ATOM 0 H1' U A 6 -2.683 6.812 0.802 1.00 0.00 H new ATOM 0 H3 U A 6 1.173 5.017 -0.539 1.00 0.00 H new ATOM 0 H5 U A 6 -0.599 6.303 -4.138 1.00 0.00 H new ATOM 0 H6 U A 6 -2.375 7.297 -2.829 1.00 0.00 H new ATOM 192 P U A 7 -2.772 11.977 -1.120 1.00 0.00 P ATOM 193 OP1 U A 7 -3.663 13.130 -1.377 1.00 0.00 O ATOM 194 OP2 U A 7 -1.712 11.627 -2.095 1.00 0.00 O ATOM 195 O5' U A 7 -2.081 12.181 0.320 1.00 0.00 O ATOM 196 C5' U A 7 -1.530 13.446 0.706 1.00 0.00 C ATOM 197 C4' U A 7 -1.397 13.557 2.222 1.00 0.00 C ATOM 198 O4' U A 7 -2.705 13.473 2.819 1.00 0.00 O ATOM 199 C3' U A 7 -0.596 12.430 2.865 1.00 0.00 C ATOM 200 O3' U A 7 -0.021 12.942 4.074 1.00 0.00 O ATOM 201 C2' U A 7 -1.664 11.422 3.256 1.00 0.00 C ATOM 202 O2' U A 7 -1.215 10.591 4.329 1.00 0.00 O ATOM 203 C1' U A 7 -2.774 12.358 3.717 1.00 0.00 C ATOM 204 N1 U A 7 -4.114 11.744 3.615 1.00 0.00 N ATOM 205 C2 U A 7 -4.853 11.617 4.776 1.00 0.00 C ATOM 206 O2 U A 7 -4.443 12.000 5.869 1.00 0.00 O ATOM 207 N3 U A 7 -6.093 11.034 4.643 1.00 0.00 N ATOM 208 C4 U A 7 -6.654 10.573 3.472 1.00 0.00 C ATOM 209 O4 U A 7 -7.773 10.070 3.487 1.00 0.00 O ATOM 210 C5 U A 7 -5.826 10.738 2.300 1.00 0.00 C ATOM 211 C6 U A 7 -4.602 11.310 2.408 1.00 0.00 C ATOM 0 H5' U A 7 -2.166 14.250 0.335 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.552 13.575 0.243 1.00 0.00 H new ATOM 0 H4' U A 7 -0.885 14.504 2.393 1.00 0.00 H new ATOM 0 H3' U A 7 0.185 12.021 2.224 1.00 0.00 H new ATOM 0 H2' U A 7 -1.951 10.730 2.465 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.524 9.673 4.183 1.00 0.00 H new ATOM 0 H1' U A 7 -2.637 12.623 4.765 1.00 0.00 H new ATOM 0 H3 U A 7 -6.649 10.934 5.492 1.00 0.00 H new ATOM 0 H5 U A 7 -6.183 10.405 1.336 1.00 0.00 H new ATOM 0 H6 U A 7 -3.996 11.427 1.522 1.00 0.00 H new ATOM 222 P C A 8 1.579 12.953 4.270 1.00 0.00 P ATOM 223 OP1 C A 8 1.870 13.207 5.699 1.00 0.00 O ATOM 224 OP2 C A 8 2.164 13.829 3.231 1.00 0.00 O ATOM 225 O5' C A 8 1.986 11.428 3.930 1.00 0.00 O ATOM 226 C5' C A 8 1.621 10.358 4.812 1.00 0.00 C ATOM 227 C4' C A 8 2.124 9.005 4.310 1.00 0.00 C ATOM 228 O4' C A 8 1.473 8.675 3.070 1.00 0.00 O ATOM 229 C3' C A 8 3.622 8.947 4.007 1.00 0.00 C ATOM 230 O3' C A 8 4.061 7.605 4.280 1.00 0.00 O ATOM 231 C2' C A 8 3.684 9.155 2.500 1.00 0.00 C ATOM 232 O2' C A 8 4.869 8.569 1.952 1.00 0.00 O ATOM 233 C1' C A 8 2.443 8.391 2.058 1.00 0.00 C ATOM 234 N1 C A 8 1.909 8.842 0.754 1.00 0.00 N ATOM 235 C2 C A 8 2.015 7.974 -0.321 1.00 0.00 C ATOM 236 O2 C A 8 2.558 6.881 -0.186 1.00 0.00 O ATOM 237 N3 C A 8 1.500 8.358 -1.523 1.00 0.00 N ATOM 238 C4 C A 8 0.905 9.548 -1.661 1.00 0.00 C ATOM 239 N4 C A 8 0.410 9.859 -2.855 1.00 0.00 N ATOM 240 C5 C A 8 0.794 10.449 -0.557 1.00 0.00 C ATOM 241 C6 C A 8 1.306 10.058 0.624 1.00 0.00 C ATOM 0 H5' C A 8 0.536 10.326 4.914 1.00 0.00 H new ATOM 0 H5'' C A 8 2.029 10.551 5.804 1.00 0.00 H new ATOM 0 H4' C A 8 1.903 8.316 5.125 1.00 0.00 H new ATOM 0 H3' C A 8 4.219 9.662 4.574 1.00 0.00 H new ATOM 0 H2' C A 8 3.711 10.198 2.185 1.00 0.00 H new ATOM 0 HO2' C A 8 5.121 7.784 2.482 1.00 0.00 H new ATOM 0 H1' C A 8 2.679 7.334 1.936 1.00 0.00 H new ATOM 0 H41 C A 8 -0.051 10.758 -2.998 1.00 0.00 H new ATOM 0 H42 C A 8 0.491 9.199 -3.628 1.00 0.00 H new ATOM 0 H5 C A 8 0.315 11.411 -0.667 1.00 0.00 H new ATOM 0 H6 C A 8 1.239 10.715 1.479 1.00 0.00 H new ATOM 253 P G A 9 5.246 7.318 5.341 1.00 0.00 P ATOM 254 OP1 G A 9 6.035 8.561 5.506 1.00 0.00 O ATOM 255 OP2 G A 9 5.927 6.065 4.940 1.00 0.00 O ATOM 256 O5' G A 9 4.450 7.041 6.716 1.00 0.00 O ATOM 257 C5' G A 9 3.577 8.031 7.276 1.00 0.00 C ATOM 258 C4' G A 9 2.570 7.420 8.245 1.00 0.00 C ATOM 259 O4' G A 9 1.427 8.285 8.330 1.00 0.00 O ATOM 260 C3' G A 9 1.973 6.095 7.809 1.00 0.00 C ATOM 261 O3' G A 9 2.817 5.051 8.311 1.00 0.00 O ATOM 262 C2' G A 9 0.675 6.058 8.595 1.00 0.00 C ATOM 263 O2' G A 9 0.923 5.717 9.964 1.00 0.00 O ATOM 264 C1' G A 9 0.217 7.512 8.475 1.00 0.00 C ATOM 265 N9 G A 9 -0.652 7.744 7.295 1.00 0.00 N ATOM 266 C8 G A 9 -1.831 8.442 7.233 1.00 0.00 C ATOM 267 N7 G A 9 -2.369 8.466 6.046 1.00 0.00 N ATOM 268 C5 G A 9 -1.483 7.732 5.262 1.00 0.00 C ATOM 269 C6 G A 9 -1.536 7.413 3.875 1.00 0.00 C ATOM 270 O6 G A 9 -2.396 7.718 3.052 1.00 0.00 O ATOM 271 N1 G A 9 -0.449 6.657 3.484 1.00 0.00 N ATOM 272 C2 G A 9 0.566 6.253 4.311 1.00 0.00 C ATOM 273 N2 G A 9 1.539 5.534 3.769 1.00 0.00 N ATOM 274 N3 G A 9 0.629 6.541 5.607 1.00 0.00 N ATOM 275 C4 G A 9 -0.426 7.284 6.015 1.00 0.00 C ATOM 0 H5' G A 9 3.045 8.541 6.473 1.00 0.00 H new ATOM 0 H5'' G A 9 4.169 8.785 7.795 1.00 0.00 H new ATOM 0 H4' G A 9 3.135 7.282 9.167 1.00 0.00 H new ATOM 0 H3' G A 9 1.854 5.983 6.731 1.00 0.00 H new ATOM 0 H2' G A 9 -0.049 5.326 8.238 1.00 0.00 H new ATOM 0 HO2' G A 9 1.815 5.319 10.046 1.00 0.00 H new ATOM 0 H1' G A 9 -0.373 7.789 9.349 1.00 0.00 H new ATOM 0 H8 G A 9 -2.274 8.928 8.090 1.00 0.00 H new ATOM 0 H1 G A 9 -0.398 6.378 2.504 1.00 0.00 H new ATOM 0 H21 G A 9 2.316 5.211 4.345 1.00 0.00 H new ATOM 0 H22 G A 9 1.511 5.304 2.776 1.00 0.00 H new ATOM 287 P G A 10 3.605 4.068 7.304 1.00 0.00 P ATOM 288 OP1 G A 10 4.996 3.928 7.792 1.00 0.00 O ATOM 289 OP2 G A 10 3.355 4.519 5.913 1.00 0.00 O ATOM 290 O5' G A 10 2.855 2.652 7.515 1.00 0.00 O ATOM 291 C5' G A 10 2.221 2.332 8.763 1.00 0.00 C ATOM 292 C4' G A 10 0.700 2.280 8.636 1.00 0.00 C ATOM 293 O4' G A 10 0.283 3.368 7.799 1.00 0.00 O ATOM 294 C3' G A 10 0.161 1.047 7.926 1.00 0.00 C ATOM 295 O3' G A 10 -0.178 0.078 8.927 1.00 0.00 O ATOM 296 C2' G A 10 -1.136 1.552 7.323 1.00 0.00 C ATOM 297 O2' G A 10 -2.159 1.660 8.320 1.00 0.00 O ATOM 298 C1' G A 10 -0.702 2.931 6.847 1.00 0.00 C ATOM 299 N9 G A 10 -0.037 2.853 5.538 1.00 0.00 N ATOM 300 C8 G A 10 1.255 2.483 5.275 1.00 0.00 C ATOM 301 N7 G A 10 1.553 2.480 4.006 1.00 0.00 N ATOM 302 C5 G A 10 0.371 2.877 3.386 1.00 0.00 C ATOM 303 C6 G A 10 0.080 3.059 2.006 1.00 0.00 C ATOM 304 O6 G A 10 0.825 2.913 1.041 1.00 0.00 O ATOM 305 N1 G A 10 -1.226 3.461 1.812 1.00 0.00 N ATOM 306 C2 G A 10 -2.145 3.669 2.808 1.00 0.00 C ATOM 307 N2 G A 10 -3.356 4.057 2.436 1.00 0.00 N ATOM 308 N3 G A 10 -1.890 3.505 4.105 1.00 0.00 N ATOM 309 C4 G A 10 -0.612 3.109 4.319 1.00 0.00 C ATOM 0 H5' G A 10 2.497 3.075 9.511 1.00 0.00 H new ATOM 0 H5'' G A 10 2.588 1.370 9.120 1.00 0.00 H new ATOM 0 H4' G A 10 0.328 2.299 9.660 1.00 0.00 H new ATOM 0 H3' G A 10 0.852 0.609 7.206 1.00 0.00 H new ATOM 0 H2' G A 10 -1.558 0.910 6.550 1.00 0.00 H new ATOM 0 HO2' G A 10 -1.793 1.406 9.193 1.00 0.00 H new ATOM 0 H1' G A 10 -1.563 3.593 6.762 1.00 0.00 H new ATOM 0 H8 G A 10 1.962 2.218 6.048 1.00 0.00 H new ATOM 0 H1 G A 10 -1.532 3.616 0.851 1.00 0.00 H new ATOM 0 H21 G A 10 -4.076 4.225 3.139 1.00 0.00 H new ATOM 0 H22 G A 10 -3.568 4.188 1.447 1.00 0.00 H new ATOM 321 P G A 11 -0.350 -1.479 8.539 1.00 0.00 P ATOM 322 OP1 G A 11 -0.702 -2.227 9.766 1.00 0.00 O ATOM 323 OP2 G A 11 0.826 -1.889 7.739 1.00 0.00 O ATOM 324 O5' G A 11 -1.639 -1.467 7.567 1.00 0.00 O ATOM 325 C5' G A 11 -2.933 -1.111 8.072 1.00 0.00 C ATOM 326 C4' G A 11 -3.925 -0.815 6.947 1.00 0.00 C ATOM 327 O4' G A 11 -3.389 0.193 6.083 1.00 0.00 O ATOM 328 C3' G A 11 -4.192 -1.967 6.000 1.00 0.00 C ATOM 329 O3' G A 11 -5.237 -2.763 6.576 1.00 0.00 O ATOM 330 C2' G A 11 -4.772 -1.245 4.792 1.00 0.00 C ATOM 331 O2' G A 11 -6.145 -0.905 5.014 1.00 0.00 O ATOM 332 C1' G A 11 -3.904 0.021 4.746 1.00 0.00 C ATOM 333 N9 G A 11 -2.771 -0.098 3.804 1.00 0.00 N ATOM 334 C8 G A 11 -1.439 -0.271 4.078 1.00 0.00 C ATOM 335 N7 G A 11 -0.686 -0.324 3.013 1.00 0.00 N ATOM 336 C5 G A 11 -1.583 -0.179 1.961 1.00 0.00 C ATOM 337 C6 G A 11 -1.352 -0.159 0.557 1.00 0.00 C ATOM 338 O6 G A 11 -0.286 -0.260 -0.046 1.00 0.00 O ATOM 339 N1 G A 11 -2.528 0.005 -0.151 1.00 0.00 N ATOM 340 C2 G A 11 -3.773 0.138 0.411 1.00 0.00 C ATOM 341 N2 G A 11 -4.795 0.286 -0.420 1.00 0.00 N ATOM 342 N3 G A 11 -4.007 0.122 1.722 1.00 0.00 N ATOM 343 C4 G A 11 -2.866 -0.041 2.435 1.00 0.00 C ATOM 0 H5' G A 11 -2.843 -0.236 8.716 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.317 -1.923 8.690 1.00 0.00 H new ATOM 0 H4' G A 11 -4.838 -0.546 7.478 1.00 0.00 H new ATOM 0 H3' G A 11 -3.328 -2.596 5.784 1.00 0.00 H new ATOM 0 H2' G A 11 -4.759 -1.832 3.874 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.496 -1.433 5.761 1.00 0.00 H new ATOM 0 H1' G A 11 -4.503 0.865 4.403 1.00 0.00 H new ATOM 0 H8 G A 11 -1.049 -0.356 5.082 1.00 0.00 H new ATOM 0 H1 G A 11 -2.466 0.029 -1.169 1.00 0.00 H new ATOM 0 H21 G A 11 -5.741 0.389 -0.052 1.00 0.00 H new ATOM 0 H22 G A 11 -4.636 0.297 -1.427 1.00 0.00 H new ATOM 355 P U A 12 -5.330 -4.343 6.278 1.00 0.00 P ATOM 356 OP1 U A 12 -6.608 -4.847 6.832 1.00 0.00 O ATOM 357 OP2 U A 12 -4.052 -4.968 6.685 1.00 0.00 O ATOM 358 O5' U A 12 -5.420 -4.394 4.669 1.00 0.00 O ATOM 359 C5' U A 12 -6.659 -4.154 3.990 1.00 0.00 C ATOM 360 C4' U A 12 -6.466 -4.113 2.479 1.00 0.00 C ATOM 361 O4' U A 12 -5.584 -3.033 2.144 1.00 0.00 O ATOM 362 C3' U A 12 -5.781 -5.336 1.897 1.00 0.00 C ATOM 363 O3' U A 12 -6.808 -6.271 1.542 1.00 0.00 O ATOM 364 C2' U A 12 -5.183 -4.792 0.612 1.00 0.00 C ATOM 365 O2' U A 12 -6.183 -4.667 -0.403 1.00 0.00 O ATOM 366 C1' U A 12 -4.703 -3.414 1.071 1.00 0.00 C ATOM 367 N1 U A 12 -3.318 -3.440 1.591 1.00 0.00 N ATOM 368 C2 U A 12 -2.290 -3.236 0.690 1.00 0.00 C ATOM 369 O2 U A 12 -2.485 -3.068 -0.512 1.00 0.00 O ATOM 370 N3 U A 12 -1.016 -3.249 1.214 1.00 0.00 N ATOM 371 C4 U A 12 -0.683 -3.445 2.537 1.00 0.00 C ATOM 372 O4 U A 12 0.494 -3.443 2.877 1.00 0.00 O ATOM 373 C5 U A 12 -1.807 -3.653 3.418 1.00 0.00 C ATOM 374 C6 U A 12 -3.067 -3.643 2.925 1.00 0.00 C ATOM 0 H5' U A 12 -7.085 -3.210 4.330 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.373 -4.936 4.246 1.00 0.00 H new ATOM 0 H4' U A 12 -7.475 -4.028 2.077 1.00 0.00 H new ATOM 0 H3' U A 12 -5.059 -5.813 2.560 1.00 0.00 H new ATOM 0 H2' U A 12 -4.406 -5.420 0.176 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.946 -5.242 -0.184 1.00 0.00 H new ATOM 0 H1' U A 12 -4.714 -2.723 0.228 1.00 0.00 H new ATOM 0 H3 U A 12 -0.247 -3.099 0.561 1.00 0.00 H new ATOM 0 H5 U A 12 -1.642 -3.817 4.473 1.00 0.00 H new ATOM 0 H6 U A 12 -3.897 -3.799 3.599 1.00 0.00 H new ATOM 385 P C A 13 -6.761 -7.788 2.086 1.00 0.00 P ATOM 386 OP1 C A 13 -8.142 -8.322 2.095 1.00 0.00 O ATOM 387 OP2 C A 13 -5.950 -7.814 3.325 1.00 0.00 O ATOM 388 O5' C A 13 -5.930 -8.544 0.931 1.00 0.00 O ATOM 389 C5' C A 13 -6.587 -9.029 -0.247 1.00 0.00 C ATOM 390 C4' C A 13 -5.584 -9.422 -1.327 1.00 0.00 C ATOM 391 O4' C A 13 -4.831 -8.269 -1.720 1.00 0.00 O ATOM 392 C3' C A 13 -4.524 -10.411 -0.884 1.00 0.00 C ATOM 393 O3' C A 13 -5.047 -11.727 -1.119 1.00 0.00 O ATOM 394 C2' C A 13 -3.415 -10.166 -1.896 1.00 0.00 C ATOM 395 O2' C A 13 -3.711 -10.812 -3.137 1.00 0.00 O ATOM 396 C1' C A 13 -3.481 -8.641 -2.053 1.00 0.00 C ATOM 397 N1 C A 13 -2.555 -7.929 -1.143 1.00 0.00 N ATOM 398 C2 C A 13 -1.314 -7.564 -1.643 1.00 0.00 C ATOM 399 O2 C A 13 -1.004 -7.839 -2.798 1.00 0.00 O ATOM 400 N3 C A 13 -0.452 -6.897 -0.831 1.00 0.00 N ATOM 401 C4 C A 13 -0.792 -6.599 0.426 1.00 0.00 C ATOM 402 N4 C A 13 0.100 -5.948 1.167 1.00 0.00 N ATOM 403 C5 C A 13 -2.068 -6.969 0.953 1.00 0.00 C ATOM 404 C6 C A 13 -2.915 -7.630 0.140 1.00 0.00 C ATOM 0 H5' C A 13 -7.257 -8.261 -0.634 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.204 -9.890 0.008 1.00 0.00 H new ATOM 0 H4' C A 13 -6.197 -9.865 -2.111 1.00 0.00 H new ATOM 0 H3' C A 13 -4.214 -10.315 0.156 1.00 0.00 H new ATOM 0 H2' C A 13 -2.439 -10.546 -1.592 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.443 -11.451 -3.007 1.00 0.00 H new ATOM 0 H1' C A 13 -3.192 -8.369 -3.068 1.00 0.00 H new ATOM 0 H41 C A 13 -0.121 -5.702 2.132 1.00 0.00 H new ATOM 0 H42 C A 13 1.005 -5.695 0.770 1.00 0.00 H new ATOM 0 H5 C A 13 -2.344 -6.727 1.969 1.00 0.00 H new ATOM 0 H6 C A 13 -3.887 -7.926 0.506 1.00 0.00 H new ATOM 416 P C A 14 -5.526 -12.659 0.106 1.00 0.00 P ATOM 417 OP1 C A 14 -6.698 -13.445 -0.340 1.00 0.00 O ATOM 418 OP2 C A 14 -5.619 -11.819 1.321 1.00 0.00 O ATOM 419 O5' C A 14 -4.279 -13.666 0.292 1.00 0.00 O ATOM 420 C5' C A 14 -4.083 -14.768 -0.608 1.00 0.00 C ATOM 421 C4' C A 14 -2.605 -14.975 -0.924 1.00 0.00 C ATOM 422 O4' C A 14 -2.059 -13.759 -1.450 1.00 0.00 O ATOM 423 C3' C A 14 -1.729 -15.282 0.280 1.00 0.00 C ATOM 424 O3' C A 14 -1.762 -16.676 0.601 1.00 0.00 O ATOM 425 C2' C A 14 -0.362 -14.880 -0.254 1.00 0.00 C ATOM 426 O2' C A 14 0.141 -15.875 -1.153 1.00 0.00 O ATOM 427 C1' C A 14 -0.703 -13.594 -1.010 1.00 0.00 C ATOM 428 N1 C A 14 -0.629 -12.393 -0.148 1.00 0.00 N ATOM 429 C2 C A 14 0.551 -11.665 -0.152 1.00 0.00 C ATOM 430 O2 C A 14 1.499 -12.015 -0.852 1.00 0.00 O ATOM 431 N3 C A 14 0.637 -10.559 0.633 1.00 0.00 N ATOM 432 C4 C A 14 -0.393 -10.181 1.397 1.00 0.00 C ATOM 433 N4 C A 14 -0.241 -9.093 2.146 1.00 0.00 N ATOM 434 C5 C A 14 -1.614 -10.924 1.408 1.00 0.00 C ATOM 435 C6 C A 14 -1.689 -12.016 0.626 1.00 0.00 C ATOM 0 H5' C A 14 -4.632 -14.587 -1.532 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.493 -15.677 -0.167 1.00 0.00 H new ATOM 0 H4' C A 14 -2.592 -15.823 -1.609 1.00 0.00 H new ATOM 0 H3' C A 14 -2.028 -14.775 1.197 1.00 0.00 H new ATOM 0 H2' C A 14 0.404 -14.762 0.513 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.351 -16.713 -1.022 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.189 -16.847 1.378 1.00 0.00 H new ATOM 0 H1' C A 14 0.007 -13.442 -1.823 1.00 0.00 H new ATOM 0 H41 C A 14 -1.005 -8.773 2.742 1.00 0.00 H new ATOM 0 H42 C A 14 0.639 -8.578 2.125 1.00 0.00 H new ATOM 0 H5 C A 14 -2.448 -10.619 2.023 1.00 0.00 H new ATOM 0 H6 C A 14 -2.597 -12.601 0.610 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.131 -1.354 1.194 1.00 0.00 CO HETATM 450 N1 NCO A 15 4.186 0.563 0.675 1.00 0.00 N HETATM 451 N2 NCO A 15 4.077 -3.271 1.712 1.00 0.00 N HETATM 452 N3 NCO A 15 2.202 -1.426 0.726 1.00 0.00 N HETATM 453 N4 NCO A 15 6.061 -1.282 1.662 1.00 0.00 N HETATM 454 N5 NCO A 15 3.660 -0.837 3.054 1.00 0.00 N HETATM 455 N6 NCO A 15 4.603 -1.870 -0.666 1.00 0.00 N