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 -19:sc= 0.0139 USER MOD Single : A 1 G O5' : rot 23:sc= 0.0756 USER MOD Single : A 2 A O2' : rot -19:sc= 0.018 USER MOD Single : A 3 G O2' : rot -118:sc= 0.00436 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -16:sc= 0.0448 USER MOD Single : A 6 C O2' : rot -18:sc= 0.0746 USER MOD Single : A 7 A O2' : rot -15:sc= 0.682 USER MOD Single : A 8 U O2' : rot 28:sc= 0.0758 USER MOD Single : A 9 A O2' : rot -85:sc= 0.779 USER MOD Single : A 10 G O2' : rot 134:sc= 0.819 USER MOD Single : A 11 U O2' : rot 180:sc= 0 USER MOD Single : A 12 C O2' : rot 180:sc= 0 USER MOD Single : A 13 U O2' : rot -115:sc= 0.104 USER MOD Single : A 14 U O2' : rot 180:sc= 0 USER MOD Single : A 15 C O2' : rot -19:sc= 0.0296 USER MOD Single : A 15 C O3' : rot 180:sc= 0.0204 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -1.324 -6.499 13.230 1.00 0.00 O ATOM 2 C5' G A 1 -1.754 -7.540 12.374 1.00 0.00 C ATOM 3 C4' G A 1 -0.563 -8.368 11.868 1.00 0.00 C ATOM 4 O4' G A 1 -1.017 -9.474 11.095 1.00 0.00 O ATOM 5 C3' G A 1 0.389 -7.587 10.953 1.00 0.00 C ATOM 6 O3' G A 1 1.301 -6.778 11.686 1.00 0.00 O ATOM 7 C2' G A 1 1.044 -8.734 10.177 1.00 0.00 C ATOM 8 O2' G A 1 2.063 -9.404 10.904 1.00 0.00 O ATOM 9 C1' G A 1 -0.151 -9.671 9.977 1.00 0.00 C ATOM 10 N9 G A 1 -0.873 -9.415 8.698 1.00 0.00 N ATOM 11 C8 G A 1 -2.095 -8.817 8.494 1.00 0.00 C ATOM 12 N7 G A 1 -2.472 -8.766 7.247 1.00 0.00 N ATOM 13 C5 G A 1 -1.429 -9.377 6.555 1.00 0.00 C ATOM 14 C6 G A 1 -1.259 -9.623 5.143 1.00 0.00 C ATOM 15 O6 G A 1 -2.021 -9.335 4.223 1.00 0.00 O ATOM 16 N1 G A 1 -0.057 -10.276 4.834 1.00 0.00 N ATOM 17 C2 G A 1 0.878 -10.647 5.788 1.00 0.00 C ATOM 18 N2 G A 1 1.975 -11.257 5.342 1.00 0.00 N ATOM 19 N3 G A 1 0.725 -10.422 7.111 1.00 0.00 N ATOM 20 C4 G A 1 -0.445 -9.783 7.440 1.00 0.00 C ATOM 0 H5' G A 1 -2.294 -7.118 11.526 1.00 0.00 H new ATOM 0 H5'' G A 1 -2.451 -8.187 12.906 1.00 0.00 H new ATOM 0 H4' G A 1 -0.034 -8.671 12.772 1.00 0.00 H new ATOM 0 H3' G A 1 -0.090 -6.851 10.307 1.00 0.00 H new ATOM 0 H2' G A 1 1.544 -8.392 9.271 1.00 0.00 H new ATOM 0 HO2' G A 1 2.374 -8.831 11.635 1.00 0.00 H new ATOM 0 HO5' G A 1 -0.385 -6.290 13.044 1.00 0.00 H new ATOM 0 H1' G A 1 0.197 -10.702 9.915 1.00 0.00 H new ATOM 0 H8 G A 1 -2.694 -8.422 9.301 1.00 0.00 H new ATOM 0 H1 G A 1 0.140 -10.489 3.856 1.00 0.00 H new ATOM 0 H21 G A 1 2.697 -11.552 5.999 1.00 0.00 H new ATOM 0 H22 G A 1 2.093 -11.429 4.343 1.00 0.00 H new ATOM 33 P A A 2 1.977 -5.448 11.054 1.00 0.00 P ATOM 34 OP1 A A 2 2.856 -4.855 12.086 1.00 0.00 O ATOM 35 OP2 A A 2 0.899 -4.631 10.455 1.00 0.00 O ATOM 36 O5' A A 2 2.894 -6.032 9.852 1.00 0.00 O ATOM 37 C5' A A 2 4.112 -6.721 10.094 1.00 0.00 C ATOM 38 C4' A A 2 4.685 -7.336 8.806 1.00 0.00 C ATOM 39 O4' A A 2 3.773 -8.234 8.187 1.00 0.00 O ATOM 40 C3' A A 2 5.042 -6.304 7.734 1.00 0.00 C ATOM 41 O3' A A 2 6.267 -5.642 8.025 1.00 0.00 O ATOM 42 C2' A A 2 5.073 -7.194 6.485 1.00 0.00 C ATOM 43 O2' A A 2 6.280 -7.929 6.343 1.00 0.00 O ATOM 44 C1' A A 2 3.910 -8.156 6.770 1.00 0.00 C ATOM 45 N9 A A 2 2.648 -7.678 6.135 1.00 0.00 N ATOM 46 C8 A A 2 1.542 -7.096 6.712 1.00 0.00 C ATOM 47 N7 A A 2 0.590 -6.792 5.874 1.00 0.00 N ATOM 48 C5 A A 2 1.092 -7.197 4.638 1.00 0.00 C ATOM 49 C6 A A 2 0.582 -7.171 3.305 1.00 0.00 C ATOM 50 N6 A A 2 -0.617 -6.683 2.976 1.00 0.00 N ATOM 51 N1 A A 2 1.340 -7.668 2.297 1.00 0.00 N ATOM 52 C2 A A 2 2.548 -8.165 2.585 1.00 0.00 C ATOM 53 N3 A A 2 3.140 -8.250 3.785 1.00 0.00 N ATOM 54 C4 A A 2 2.352 -7.744 4.791 1.00 0.00 C ATOM 0 H5' A A 2 3.945 -7.508 10.830 1.00 0.00 H new ATOM 0 H5'' A A 2 4.840 -6.033 10.523 1.00 0.00 H new ATOM 0 H4' A A 2 5.585 -7.846 9.150 1.00 0.00 H new ATOM 0 H3' A A 2 4.353 -5.465 7.637 1.00 0.00 H new ATOM 0 H2' A A 2 4.999 -6.617 5.563 1.00 0.00 H new ATOM 0 HO2' A A 2 6.983 -7.511 6.882 1.00 0.00 H new ATOM 0 H1' A A 2 4.114 -9.140 6.348 1.00 0.00 H new ATOM 0 H8 A A 2 1.469 -6.906 7.773 1.00 0.00 H new ATOM 0 H61 A A 2 -0.923 -6.694 2.003 1.00 0.00 H new ATOM 0 H62 A A 2 -1.227 -6.299 3.698 1.00 0.00 H new ATOM 0 H2 A A 2 3.116 -8.544 1.748 1.00 0.00 H new ATOM 66 P G A 3 6.592 -4.145 7.498 1.00 0.00 P ATOM 67 OP1 G A 3 7.907 -3.747 8.048 1.00 0.00 O ATOM 68 OP2 G A 3 5.408 -3.293 7.748 1.00 0.00 O ATOM 69 O5' G A 3 6.733 -4.343 5.898 1.00 0.00 O ATOM 70 C5' G A 3 7.865 -4.968 5.312 1.00 0.00 C ATOM 71 C4' G A 3 7.691 -5.153 3.798 1.00 0.00 C ATOM 72 O4' G A 3 6.542 -5.927 3.483 1.00 0.00 O ATOM 73 C3' G A 3 7.496 -3.848 3.022 1.00 0.00 C ATOM 74 O3' G A 3 8.691 -3.080 2.923 1.00 0.00 O ATOM 75 C2' G A 3 6.965 -4.405 1.695 1.00 0.00 C ATOM 76 O2' G A 3 7.973 -4.897 0.824 1.00 0.00 O ATOM 77 C1' G A 3 6.088 -5.572 2.179 1.00 0.00 C ATOM 78 N9 G A 3 4.648 -5.191 2.187 1.00 0.00 N ATOM 79 C8 G A 3 3.827 -4.894 3.249 1.00 0.00 C ATOM 80 N7 G A 3 2.601 -4.596 2.915 1.00 0.00 N ATOM 81 C5 G A 3 2.592 -4.697 1.526 1.00 0.00 C ATOM 82 C6 G A 3 1.526 -4.493 0.571 1.00 0.00 C ATOM 83 O6 G A 3 0.355 -4.184 0.778 1.00 0.00 O ATOM 84 N1 G A 3 1.928 -4.688 -0.756 1.00 0.00 N ATOM 85 C2 G A 3 3.214 -5.044 -1.125 1.00 0.00 C ATOM 86 N2 G A 3 3.434 -5.192 -2.430 1.00 0.00 N ATOM 87 N3 G A 3 4.215 -5.245 -0.241 1.00 0.00 N ATOM 88 C4 G A 3 3.848 -5.059 1.071 1.00 0.00 C ATOM 0 H5' G A 3 8.028 -5.938 5.781 1.00 0.00 H new ATOM 0 H5'' G A 3 8.753 -4.367 5.505 1.00 0.00 H new ATOM 0 H4' G A 3 8.623 -5.638 3.506 1.00 0.00 H new ATOM 0 H3' G A 3 6.828 -3.120 3.482 1.00 0.00 H new ATOM 0 H2' G A 3 6.462 -3.636 1.108 1.00 0.00 H new ATOM 0 HO2' G A 3 7.967 -4.379 -0.008 1.00 0.00 H new ATOM 0 H1' G A 3 6.175 -6.424 1.505 1.00 0.00 H new ATOM 0 H8 G A 3 4.168 -4.906 4.274 1.00 0.00 H new ATOM 0 H1 G A 3 1.234 -4.561 -1.493 1.00 0.00 H new ATOM 0 H21 G A 3 4.361 -5.454 -2.764 1.00 0.00 H new ATOM 0 H22 G A 3 2.675 -5.044 -3.095 1.00 0.00 H new ATOM 100 P G A 4 8.671 -1.481 2.654 1.00 0.00 P ATOM 101 OP1 G A 4 10.071 -0.998 2.681 1.00 0.00 O ATOM 102 OP2 G A 4 7.672 -0.866 3.556 1.00 0.00 O ATOM 103 O5' G A 4 8.110 -1.359 1.141 1.00 0.00 O ATOM 104 C5' G A 4 8.896 -1.720 0.016 1.00 0.00 C ATOM 105 C4' G A 4 8.072 -1.720 -1.279 1.00 0.00 C ATOM 106 O4' G A 4 6.962 -2.609 -1.208 1.00 0.00 O ATOM 107 C3' G A 4 7.477 -0.359 -1.657 1.00 0.00 C ATOM 108 O3' G A 4 8.440 0.545 -2.186 1.00 0.00 O ATOM 109 C2' G A 4 6.412 -0.815 -2.662 1.00 0.00 C ATOM 110 O2' G A 4 6.934 -1.133 -3.943 1.00 0.00 O ATOM 111 C1' G A 4 5.889 -2.090 -1.991 1.00 0.00 C ATOM 112 N9 G A 4 4.685 -1.817 -1.157 1.00 0.00 N ATOM 113 C8 G A 4 4.573 -1.691 0.208 1.00 0.00 C ATOM 114 N7 G A 4 3.360 -1.470 0.632 1.00 0.00 N ATOM 115 C5 G A 4 2.596 -1.437 -0.531 1.00 0.00 C ATOM 116 C6 G A 4 1.179 -1.231 -0.720 1.00 0.00 C ATOM 117 O6 G A 4 0.318 -1.031 0.132 1.00 0.00 O ATOM 118 N1 G A 4 0.786 -1.273 -2.064 1.00 0.00 N ATOM 119 C2 G A 4 1.666 -1.489 -3.112 1.00 0.00 C ATOM 120 N2 G A 4 1.147 -1.496 -4.338 1.00 0.00 N ATOM 121 N3 G A 4 2.991 -1.688 -2.944 1.00 0.00 N ATOM 122 C4 G A 4 3.403 -1.652 -1.634 1.00 0.00 C ATOM 0 H5' G A 4 9.324 -2.710 0.174 1.00 0.00 H new ATOM 0 H5'' G A 4 9.729 -1.024 -0.083 1.00 0.00 H new ATOM 0 H4' G A 4 8.803 -2.025 -2.028 1.00 0.00 H new ATOM 0 H3' G A 4 7.083 0.226 -0.826 1.00 0.00 H new ATOM 0 H2' G A 4 5.673 -0.038 -2.857 1.00 0.00 H new ATOM 0 HO2' G A 4 6.204 -1.417 -4.532 1.00 0.00 H new ATOM 0 H1' G A 4 5.571 -2.816 -2.739 1.00 0.00 H new ATOM 0 H8 G A 4 5.420 -1.769 0.874 1.00 0.00 H new ATOM 0 H1 G A 4 -0.201 -1.137 -2.283 1.00 0.00 H new ATOM 0 H21 G A 4 1.750 -1.651 -5.146 1.00 0.00 H new ATOM 0 H22 G A 4 0.147 -1.347 -4.469 1.00 0.00 H new ATOM 134 P A A 5 8.200 2.150 -2.222 1.00 0.00 P ATOM 135 OP1 A A 5 9.417 2.780 -2.781 1.00 0.00 O ATOM 136 OP2 A A 5 7.699 2.584 -0.899 1.00 0.00 O ATOM 137 O5' A A 5 6.992 2.333 -3.284 1.00 0.00 O ATOM 138 C5' A A 5 7.171 2.153 -4.681 1.00 0.00 C ATOM 139 C4' A A 5 5.826 2.187 -5.424 1.00 0.00 C ATOM 140 O4' A A 5 4.906 1.236 -4.905 1.00 0.00 O ATOM 141 C3' A A 5 5.118 3.540 -5.336 1.00 0.00 C ATOM 142 O3' A A 5 5.685 4.470 -6.254 1.00 0.00 O ATOM 143 C2' A A 5 3.673 3.141 -5.644 1.00 0.00 C ATOM 144 O2' A A 5 3.399 3.036 -7.034 1.00 0.00 O ATOM 145 C1' A A 5 3.582 1.754 -4.987 1.00 0.00 C ATOM 146 N9 A A 5 2.953 1.818 -3.636 1.00 0.00 N ATOM 147 C8 A A 5 3.534 1.716 -2.392 1.00 0.00 C ATOM 148 N7 A A 5 2.696 1.784 -1.394 1.00 0.00 N ATOM 149 C5 A A 5 1.458 1.946 -2.011 1.00 0.00 C ATOM 150 C6 A A 5 0.123 2.085 -1.527 1.00 0.00 C ATOM 151 N6 A A 5 -0.200 2.085 -0.231 1.00 0.00 N ATOM 152 N1 A A 5 -0.890 2.233 -2.414 1.00 0.00 N ATOM 153 C2 A A 5 -0.604 2.239 -3.722 1.00 0.00 C ATOM 154 N3 A A 5 0.596 2.113 -4.303 1.00 0.00 N ATOM 155 C4 A A 5 1.607 1.968 -3.385 1.00 0.00 C ATOM 0 H5' A A 5 7.668 1.201 -4.867 1.00 0.00 H new ATOM 0 H5'' A A 5 7.824 2.934 -5.070 1.00 0.00 H new ATOM 0 H4' A A 5 6.094 1.967 -6.457 1.00 0.00 H new ATOM 0 H3' A A 5 5.206 4.060 -4.382 1.00 0.00 H new ATOM 0 H2' A A 5 2.958 3.880 -5.283 1.00 0.00 H new ATOM 0 HO2' A A 5 4.108 3.483 -7.542 1.00 0.00 H new ATOM 0 H1' A A 5 2.947 1.103 -5.587 1.00 0.00 H new ATOM 0 H8 A A 5 4.598 1.590 -2.253 1.00 0.00 H new ATOM 0 H61 A A 5 -1.175 2.189 0.052 1.00 0.00 H new ATOM 0 H62 A A 5 0.528 1.981 0.476 1.00 0.00 H new ATOM 0 H2 A A 5 -1.444 2.360 -4.390 1.00 0.00 H new ATOM 167 P C A 6 5.955 6.016 -5.864 1.00 0.00 P ATOM 168 OP1 C A 6 6.617 6.666 -7.018 1.00 0.00 O ATOM 169 OP2 C A 6 6.606 6.043 -4.536 1.00 0.00 O ATOM 170 O5' C A 6 4.448 6.598 -5.728 1.00 0.00 O ATOM 171 C5' C A 6 3.619 6.814 -6.866 1.00 0.00 C ATOM 172 C4' C A 6 2.148 7.037 -6.482 1.00 0.00 C ATOM 173 O4' C A 6 1.641 5.929 -5.753 1.00 0.00 O ATOM 174 C3' C A 6 1.900 8.262 -5.599 1.00 0.00 C ATOM 175 O3' C A 6 1.863 9.473 -6.353 1.00 0.00 O ATOM 176 C2' C A 6 0.551 7.897 -4.969 1.00 0.00 C ATOM 177 O2' C A 6 -0.561 8.255 -5.778 1.00 0.00 O ATOM 178 C1' C A 6 0.627 6.365 -4.852 1.00 0.00 C ATOM 179 N1 C A 6 0.878 5.934 -3.435 1.00 0.00 N ATOM 180 C2 C A 6 -0.207 5.930 -2.526 1.00 0.00 C ATOM 181 O2 C A 6 -1.339 6.276 -2.865 1.00 0.00 O ATOM 182 N3 C A 6 0.004 5.537 -1.231 1.00 0.00 N ATOM 183 C4 C A 6 1.224 5.160 -0.814 1.00 0.00 C ATOM 184 N4 C A 6 1.368 4.784 0.454 1.00 0.00 N ATOM 185 C5 C A 6 2.349 5.144 -1.717 1.00 0.00 C ATOM 186 C6 C A 6 2.137 5.541 -3.001 1.00 0.00 C ATOM 0 H5' C A 6 3.692 5.956 -7.534 1.00 0.00 H new ATOM 0 H5'' C A 6 3.983 7.680 -7.419 1.00 0.00 H new ATOM 0 H4' C A 6 1.648 7.179 -7.440 1.00 0.00 H new ATOM 0 H3' C A 6 2.683 8.462 -4.868 1.00 0.00 H new ATOM 0 H2' C A 6 0.398 8.424 -4.027 1.00 0.00 H new ATOM 0 HO2' C A 6 -0.280 8.913 -6.447 1.00 0.00 H new ATOM 0 H1' C A 6 -0.323 5.903 -5.121 1.00 0.00 H new ATOM 0 H41 C A 6 2.283 4.493 0.799 1.00 0.00 H new ATOM 0 H42 C A 6 0.564 4.787 1.081 1.00 0.00 H new ATOM 0 H5 C A 6 3.327 4.827 -1.385 1.00 0.00 H new ATOM 0 H6 C A 6 2.964 5.551 -3.696 1.00 0.00 H new ATOM 198 P A A 7 2.686 10.803 -5.933 1.00 0.00 P ATOM 199 OP1 A A 7 2.138 11.938 -6.707 1.00 0.00 O ATOM 200 OP2 A A 7 4.130 10.488 -6.019 1.00 0.00 O ATOM 201 O5' A A 7 2.331 11.037 -4.371 1.00 0.00 O ATOM 202 C5' A A 7 1.014 11.310 -3.912 1.00 0.00 C ATOM 203 C4' A A 7 0.900 11.114 -2.387 1.00 0.00 C ATOM 204 O4' A A 7 1.387 9.825 -2.028 1.00 0.00 O ATOM 205 C3' A A 7 1.686 12.151 -1.567 1.00 0.00 C ATOM 206 O3' A A 7 0.929 12.490 -0.409 1.00 0.00 O ATOM 207 C2' A A 7 2.977 11.385 -1.248 1.00 0.00 C ATOM 208 O2' A A 7 3.658 11.814 -0.082 1.00 0.00 O ATOM 209 C1' A A 7 2.472 9.944 -1.120 1.00 0.00 C ATOM 210 N9 A A 7 3.516 8.943 -1.460 1.00 0.00 N ATOM 211 C8 A A 7 4.195 8.799 -2.647 1.00 0.00 C ATOM 212 N7 A A 7 5.047 7.818 -2.667 1.00 0.00 N ATOM 213 C5 A A 7 4.939 7.253 -1.401 1.00 0.00 C ATOM 214 C6 A A 7 5.581 6.152 -0.760 1.00 0.00 C ATOM 215 N6 A A 7 6.504 5.392 -1.359 1.00 0.00 N ATOM 216 N1 A A 7 5.241 5.840 0.516 1.00 0.00 N ATOM 217 C2 A A 7 4.314 6.587 1.131 1.00 0.00 C ATOM 218 N3 A A 7 3.639 7.639 0.643 1.00 0.00 N ATOM 219 C4 A A 7 3.998 7.934 -0.651 1.00 0.00 C ATOM 0 H5' A A 7 0.307 10.654 -4.419 1.00 0.00 H new ATOM 0 H5'' A A 7 0.741 12.333 -4.171 1.00 0.00 H new ATOM 0 H4' A A 7 -0.158 11.233 -2.154 1.00 0.00 H new ATOM 0 H3' A A 7 1.890 13.100 -2.062 1.00 0.00 H new ATOM 0 H2' A A 7 3.736 11.537 -2.016 1.00 0.00 H new ATOM 0 HO2' A A 7 3.314 12.689 0.194 1.00 0.00 H new ATOM 0 H1' A A 7 2.181 9.746 -0.088 1.00 0.00 H new ATOM 0 H8 A A 7 4.033 9.449 -3.494 1.00 0.00 H new ATOM 0 H61 A A 7 6.932 4.616 -0.854 1.00 0.00 H new ATOM 0 H62 A A 7 6.780 5.588 -2.321 1.00 0.00 H new ATOM 0 H2 A A 7 4.081 6.307 2.148 1.00 0.00 H new ATOM 231 P U A 8 0.932 13.981 0.218 1.00 0.00 P ATOM 232 OP1 U A 8 0.304 14.903 -0.756 1.00 0.00 O ATOM 233 OP2 U A 8 2.293 14.260 0.726 1.00 0.00 O ATOM 234 O5' U A 8 -0.050 13.806 1.488 1.00 0.00 O ATOM 235 C5' U A 8 -1.446 13.570 1.352 1.00 0.00 C ATOM 236 C4' U A 8 -2.028 12.879 2.599 1.00 0.00 C ATOM 237 O4' U A 8 -1.409 11.605 2.742 1.00 0.00 O ATOM 238 C3' U A 8 -1.808 13.655 3.916 1.00 0.00 C ATOM 239 O3' U A 8 -2.920 13.543 4.807 1.00 0.00 O ATOM 240 C2' U A 8 -0.572 12.947 4.479 1.00 0.00 C ATOM 241 O2' U A 8 -0.415 13.065 5.883 1.00 0.00 O ATOM 242 C1' U A 8 -0.801 11.505 4.019 1.00 0.00 C ATOM 243 N1 U A 8 0.480 10.729 4.003 1.00 0.00 N ATOM 244 C2 U A 8 0.787 9.906 5.109 1.00 0.00 C ATOM 245 O2 U A 8 0.052 9.771 6.088 1.00 0.00 O ATOM 246 N3 U A 8 2.002 9.218 5.064 1.00 0.00 N ATOM 247 C4 U A 8 2.931 9.282 4.026 1.00 0.00 C ATOM 248 O4 U A 8 3.966 8.625 4.087 1.00 0.00 O ATOM 249 C5 U A 8 2.545 10.157 2.925 1.00 0.00 C ATOM 250 C6 U A 8 1.365 10.840 2.939 1.00 0.00 C ATOM 0 H5' U A 8 -1.627 12.950 0.474 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.961 14.516 1.186 1.00 0.00 H new ATOM 0 H4' U A 8 -3.104 12.816 2.437 1.00 0.00 H new ATOM 0 H3' U A 8 -1.691 14.729 3.774 1.00 0.00 H new ATOM 0 H2' U A 8 0.361 13.384 4.124 1.00 0.00 H new ATOM 0 HO2' U A 8 -1.294 13.173 6.303 1.00 0.00 H new ATOM 0 H1' U A 8 -1.445 10.952 4.702 1.00 0.00 H new ATOM 0 H3 U A 8 2.229 8.618 5.857 1.00 0.00 H new ATOM 0 H5 U A 8 3.208 10.266 2.080 1.00 0.00 H new ATOM 0 H6 U A 8 1.114 11.480 2.106 1.00 0.00 H new ATOM 261 P A A 9 -4.308 14.369 4.624 1.00 0.00 P ATOM 262 OP1 A A 9 -4.093 15.481 3.669 1.00 0.00 O ATOM 263 OP2 A A 9 -4.849 14.655 5.970 1.00 0.00 O ATOM 264 O5' A A 9 -5.260 13.277 3.906 1.00 0.00 O ATOM 265 C5' A A 9 -5.640 12.062 4.539 1.00 0.00 C ATOM 266 C4' A A 9 -5.845 10.983 3.469 1.00 0.00 C ATOM 267 O4' A A 9 -4.618 10.746 2.791 1.00 0.00 O ATOM 268 C3' A A 9 -6.229 9.612 4.035 1.00 0.00 C ATOM 269 O3' A A 9 -7.603 9.485 4.389 1.00 0.00 O ATOM 270 C2' A A 9 -5.825 8.710 2.863 1.00 0.00 C ATOM 271 O2' A A 9 -6.800 8.658 1.830 1.00 0.00 O ATOM 272 C1' A A 9 -4.584 9.412 2.313 1.00 0.00 C ATOM 273 N9 A A 9 -3.301 8.784 2.718 1.00 0.00 N ATOM 274 C8 A A 9 -2.922 8.246 3.926 1.00 0.00 C ATOM 275 N7 A A 9 -1.704 7.781 3.951 1.00 0.00 N ATOM 276 C5 A A 9 -1.225 8.034 2.665 1.00 0.00 C ATOM 277 C6 A A 9 0.013 7.788 1.999 1.00 0.00 C ATOM 278 N6 A A 9 1.059 7.191 2.571 1.00 0.00 N ATOM 279 N1 A A 9 0.162 8.169 0.708 1.00 0.00 N ATOM 280 C2 A A 9 -0.870 8.760 0.094 1.00 0.00 C ATOM 281 N3 A A 9 -2.078 9.041 0.596 1.00 0.00 N ATOM 282 C4 A A 9 -2.200 8.650 1.907 1.00 0.00 C ATOM 0 H5' A A 9 -6.558 12.206 5.109 1.00 0.00 H new ATOM 0 H5'' A A 9 -4.871 11.750 5.246 1.00 0.00 H new ATOM 0 H4' A A 9 -6.645 11.367 2.836 1.00 0.00 H new ATOM 0 H3' A A 9 -5.746 9.379 4.984 1.00 0.00 H new ATOM 0 H2' A A 9 -5.685 7.680 3.191 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.471 7.977 2.047 1.00 0.00 H new ATOM 0 H1' A A 9 -4.615 9.346 1.225 1.00 0.00 H new ATOM 0 H8 A A 9 -3.579 8.212 4.783 1.00 0.00 H new ATOM 0 H61 A A 9 1.917 7.045 2.039 1.00 0.00 H new ATOM 0 H62 A A 9 1.001 6.880 3.541 1.00 0.00 H new ATOM 0 H2 A A 9 -0.707 9.046 -0.935 1.00 0.00 H new ATOM 294 P G A 10 -8.102 8.532 5.605 1.00 0.00 P ATOM 295 OP1 G A 10 -8.381 9.412 6.761 1.00 0.00 O ATOM 296 OP2 G A 10 -7.148 7.407 5.763 1.00 0.00 O ATOM 297 O5' G A 10 -9.534 7.964 5.067 1.00 0.00 O ATOM 298 C5' G A 10 -9.771 6.608 4.691 1.00 0.00 C ATOM 299 C4' G A 10 -9.354 6.293 3.241 1.00 0.00 C ATOM 300 O4' G A 10 -7.951 6.451 3.096 1.00 0.00 O ATOM 301 C3' G A 10 -9.670 4.839 2.823 1.00 0.00 C ATOM 302 O3' G A 10 -10.256 4.854 1.518 1.00 0.00 O ATOM 303 C2' G A 10 -8.265 4.211 2.869 1.00 0.00 C ATOM 304 O2' G A 10 -8.097 3.019 2.132 1.00 0.00 O ATOM 305 C1' G A 10 -7.420 5.377 2.351 1.00 0.00 C ATOM 306 N9 G A 10 -5.957 5.215 2.558 1.00 0.00 N ATOM 307 C8 G A 10 -5.283 4.786 3.674 1.00 0.00 C ATOM 308 N7 G A 10 -3.990 4.698 3.528 1.00 0.00 N ATOM 309 C5 G A 10 -3.769 5.107 2.217 1.00 0.00 C ATOM 310 C6 G A 10 -2.541 5.230 1.465 1.00 0.00 C ATOM 311 O6 G A 10 -1.395 4.982 1.830 1.00 0.00 O ATOM 312 N1 G A 10 -2.738 5.696 0.158 1.00 0.00 N ATOM 313 C2 G A 10 -3.985 6.006 -0.363 1.00 0.00 C ATOM 314 N2 G A 10 -4.021 6.430 -1.624 1.00 0.00 N ATOM 315 N3 G A 10 -5.137 5.884 0.329 1.00 0.00 N ATOM 316 C4 G A 10 -4.973 5.427 1.614 1.00 0.00 C ATOM 0 H5' G A 10 -10.831 6.385 4.813 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.227 5.950 5.369 1.00 0.00 H new ATOM 0 H4' G A 10 -9.920 6.982 2.615 1.00 0.00 H new ATOM 0 H3' G A 10 -10.383 4.291 3.440 1.00 0.00 H new ATOM 0 H2' G A 10 -7.996 3.849 3.861 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.269 3.071 1.610 1.00 0.00 H new ATOM 0 H1' G A 10 -7.480 5.495 1.269 1.00 0.00 H new ATOM 0 H8 G A 10 -5.783 4.541 4.599 1.00 0.00 H new ATOM 0 H1 G A 10 -1.921 5.813 -0.441 1.00 0.00 H new ATOM 0 H21 G A 10 -4.913 6.671 -2.056 1.00 0.00 H new ATOM 0 H22 G A 10 -3.156 6.514 -2.159 1.00 0.00 H new ATOM 328 P U A 11 -10.993 3.573 0.836 1.00 0.00 P ATOM 329 OP1 U A 11 -12.351 3.992 0.423 1.00 0.00 O ATOM 330 OP2 U A 11 -10.829 2.387 1.709 1.00 0.00 O ATOM 331 O5' U A 11 -10.076 3.351 -0.484 1.00 0.00 O ATOM 332 C5' U A 11 -10.250 4.121 -1.666 1.00 0.00 C ATOM 333 C4' U A 11 -9.081 3.980 -2.656 1.00 0.00 C ATOM 334 O4' U A 11 -7.877 4.516 -2.120 1.00 0.00 O ATOM 335 C3' U A 11 -8.712 2.548 -3.065 1.00 0.00 C ATOM 336 O3' U A 11 -9.630 1.937 -3.965 1.00 0.00 O ATOM 337 C2' U A 11 -7.329 2.805 -3.673 1.00 0.00 C ATOM 338 O2' U A 11 -7.378 3.313 -5.000 1.00 0.00 O ATOM 339 C1' U A 11 -6.760 3.879 -2.742 1.00 0.00 C ATOM 340 N1 U A 11 -5.796 3.300 -1.750 1.00 0.00 N ATOM 341 C2 U A 11 -4.434 3.209 -2.115 1.00 0.00 C ATOM 342 O2 U A 11 -3.993 3.551 -3.212 1.00 0.00 O ATOM 343 N3 U A 11 -3.561 2.699 -1.155 1.00 0.00 N ATOM 344 C4 U A 11 -3.916 2.268 0.120 1.00 0.00 C ATOM 345 O4 U A 11 -3.059 1.837 0.885 1.00 0.00 O ATOM 346 C5 U A 11 -5.337 2.380 0.417 1.00 0.00 C ATOM 347 C6 U A 11 -6.216 2.879 -0.497 1.00 0.00 C ATOM 0 H5' U A 11 -10.364 5.171 -1.395 1.00 0.00 H new ATOM 0 H5'' U A 11 -11.174 3.816 -2.158 1.00 0.00 H new ATOM 0 H4' U A 11 -9.458 4.517 -3.526 1.00 0.00 H new ATOM 0 H3' U A 11 -8.730 1.828 -2.247 1.00 0.00 H new ATOM 0 H2' U A 11 -6.746 1.887 -3.747 1.00 0.00 H new ATOM 0 HO2' U A 11 -6.466 3.456 -5.329 1.00 0.00 H new ATOM 0 H1' U A 11 -6.177 4.612 -3.300 1.00 0.00 H new ATOM 0 H3 U A 11 -2.575 2.636 -1.409 1.00 0.00 H new ATOM 0 H5 U A 11 -5.702 2.061 1.382 1.00 0.00 H new ATOM 0 H6 U A 11 -7.263 2.948 -0.240 1.00 0.00 H new ATOM 358 P C A 12 -9.684 0.327 -4.185 1.00 0.00 P ATOM 359 OP1 C A 12 -10.723 0.045 -5.200 1.00 0.00 O ATOM 360 OP2 C A 12 -9.774 -0.315 -2.855 1.00 0.00 O ATOM 361 O5' C A 12 -8.232 -0.048 -4.811 1.00 0.00 O ATOM 362 C5' C A 12 -7.893 0.209 -6.168 1.00 0.00 C ATOM 363 C4' C A 12 -6.395 -0.005 -6.441 1.00 0.00 C ATOM 364 O4' C A 12 -5.575 0.725 -5.536 1.00 0.00 O ATOM 365 C3' C A 12 -5.920 -1.453 -6.300 1.00 0.00 C ATOM 366 O3' C A 12 -6.329 -2.286 -7.381 1.00 0.00 O ATOM 367 C2' C A 12 -4.406 -1.225 -6.209 1.00 0.00 C ATOM 368 O2' C A 12 -3.763 -1.031 -7.460 1.00 0.00 O ATOM 369 C1' C A 12 -4.313 0.075 -5.394 1.00 0.00 C ATOM 370 N1 C A 12 -3.929 -0.219 -3.970 1.00 0.00 N ATOM 371 C2 C A 12 -2.585 -0.576 -3.692 1.00 0.00 C ATOM 372 O2 C A 12 -1.734 -0.647 -4.580 1.00 0.00 O ATOM 373 N3 C A 12 -2.220 -0.859 -2.402 1.00 0.00 N ATOM 374 C4 C A 12 -3.115 -0.803 -1.402 1.00 0.00 C ATOM 375 N4 C A 12 -2.699 -1.084 -0.170 1.00 0.00 N ATOM 376 C5 C A 12 -4.495 -0.454 -1.650 1.00 0.00 C ATOM 377 C6 C A 12 -4.852 -0.172 -2.935 1.00 0.00 C ATOM 0 H5' C A 12 -8.164 1.234 -6.421 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.476 -0.444 -6.817 1.00 0.00 H new ATOM 0 H4' C A 12 -6.295 0.330 -7.473 1.00 0.00 H new ATOM 0 H3' C A 12 -6.337 -1.999 -5.453 1.00 0.00 H new ATOM 0 H2' C A 12 -3.911 -2.096 -5.780 1.00 0.00 H new ATOM 0 HO2' C A 12 -2.804 -0.892 -7.317 1.00 0.00 H new ATOM 0 H1' C A 12 -3.529 0.741 -5.755 1.00 0.00 H new ATOM 0 H41 C A 12 -3.355 -1.050 0.610 1.00 0.00 H new ATOM 0 H42 C A 12 -1.724 -1.333 -0.006 1.00 0.00 H new ATOM 0 H5 C A 12 -5.217 -0.418 -0.847 1.00 0.00 H new ATOM 0 H6 C A 12 -5.876 0.094 -3.152 1.00 0.00 H new ATOM 389 P U A 13 -6.380 -3.905 -7.259 1.00 0.00 P ATOM 390 OP1 U A 13 -6.817 -4.445 -8.567 1.00 0.00 O ATOM 391 OP2 U A 13 -7.145 -4.251 -6.040 1.00 0.00 O ATOM 392 O5' U A 13 -4.840 -4.344 -7.009 1.00 0.00 O ATOM 393 C5' U A 13 -3.856 -4.309 -8.033 1.00 0.00 C ATOM 394 C4' U A 13 -2.439 -4.522 -7.472 1.00 0.00 C ATOM 395 O4' U A 13 -2.115 -3.577 -6.458 1.00 0.00 O ATOM 396 C3' U A 13 -2.218 -5.893 -6.826 1.00 0.00 C ATOM 397 O3' U A 13 -2.061 -6.928 -7.792 1.00 0.00 O ATOM 398 C2' U A 13 -0.971 -5.604 -5.981 1.00 0.00 C ATOM 399 O2' U A 13 0.241 -5.631 -6.721 1.00 0.00 O ATOM 400 C1' U A 13 -1.247 -4.173 -5.493 1.00 0.00 C ATOM 401 N1 U A 13 -1.819 -4.181 -4.102 1.00 0.00 N ATOM 402 C2 U A 13 -0.921 -4.275 -3.014 1.00 0.00 C ATOM 403 O2 U A 13 0.299 -4.361 -3.150 1.00 0.00 O ATOM 404 N3 U A 13 -1.475 -4.280 -1.731 1.00 0.00 N ATOM 405 C4 U A 13 -2.837 -4.218 -1.439 1.00 0.00 C ATOM 406 O4 U A 13 -3.221 -4.237 -0.275 1.00 0.00 O ATOM 407 C5 U A 13 -3.699 -4.131 -2.612 1.00 0.00 C ATOM 408 C6 U A 13 -3.187 -4.118 -3.873 1.00 0.00 C ATOM 0 H5' U A 13 -3.902 -3.350 -8.549 1.00 0.00 H new ATOM 0 H5'' U A 13 -4.074 -5.079 -8.773 1.00 0.00 H new ATOM 0 H4' U A 13 -1.809 -4.415 -8.355 1.00 0.00 H new ATOM 0 H3' U A 13 -3.052 -6.275 -6.238 1.00 0.00 H new ATOM 0 H2' U A 13 -0.827 -6.352 -5.201 1.00 0.00 H new ATOM 0 HO2' U A 13 0.803 -6.368 -6.402 1.00 0.00 H new ATOM 0 H1' U A 13 -0.332 -3.586 -5.416 1.00 0.00 H new ATOM 0 H3 U A 13 -0.830 -4.333 -0.943 1.00 0.00 H new ATOM 0 H5 U A 13 -4.769 -4.076 -2.477 1.00 0.00 H new ATOM 0 H6 U A 13 -3.860 -4.057 -4.715 1.00 0.00 H new ATOM 419 P U A 14 -2.284 -8.495 -7.435 1.00 0.00 P ATOM 420 OP1 U A 14 -2.222 -9.263 -8.699 1.00 0.00 O ATOM 421 OP2 U A 14 -3.477 -8.617 -6.566 1.00 0.00 O ATOM 422 O5' U A 14 -0.987 -8.860 -6.540 1.00 0.00 O ATOM 423 C5' U A 14 0.305 -9.044 -7.103 1.00 0.00 C ATOM 424 C4' U A 14 1.372 -9.215 -6.010 1.00 0.00 C ATOM 425 O4' U A 14 1.423 -8.090 -5.142 1.00 0.00 O ATOM 426 C3' U A 14 1.147 -10.419 -5.089 1.00 0.00 C ATOM 427 O3' U A 14 1.486 -11.654 -5.711 1.00 0.00 O ATOM 428 C2' U A 14 2.040 -10.030 -3.906 1.00 0.00 C ATOM 429 O2' U A 14 3.418 -10.301 -4.121 1.00 0.00 O ATOM 430 C1' U A 14 1.819 -8.512 -3.836 1.00 0.00 C ATOM 431 N1 U A 14 0.807 -8.157 -2.785 1.00 0.00 N ATOM 432 C2 U A 14 1.259 -7.968 -1.460 1.00 0.00 C ATOM 433 O2 U A 14 2.432 -8.096 -1.111 1.00 0.00 O ATOM 434 N3 U A 14 0.296 -7.619 -0.512 1.00 0.00 N ATOM 435 C4 U A 14 -1.064 -7.455 -0.755 1.00 0.00 C ATOM 436 O4 U A 14 -1.818 -7.146 0.162 1.00 0.00 O ATOM 437 C5 U A 14 -1.456 -7.683 -2.140 1.00 0.00 C ATOM 438 C6 U A 14 -0.542 -8.020 -3.089 1.00 0.00 C ATOM 0 H5' U A 14 0.557 -8.188 -7.729 1.00 0.00 H new ATOM 0 H5'' U A 14 0.300 -9.921 -7.750 1.00 0.00 H new ATOM 0 H4' U A 14 2.291 -9.348 -6.581 1.00 0.00 H new ATOM 0 H3' U A 14 0.111 -10.603 -4.804 1.00 0.00 H new ATOM 0 H2' U A 14 1.790 -10.589 -3.004 1.00 0.00 H new ATOM 0 HO2' U A 14 3.932 -10.029 -3.332 1.00 0.00 H new ATOM 0 H1' U A 14 2.733 -7.995 -3.542 1.00 0.00 H new ATOM 0 H3 U A 14 0.618 -7.471 0.444 1.00 0.00 H new ATOM 0 H5 U A 14 -2.495 -7.582 -2.419 1.00 0.00 H new ATOM 0 H6 U A 14 -0.873 -8.185 -4.104 1.00 0.00 H new ATOM 449 P C A 15 0.864 -13.073 -5.227 1.00 0.00 P ATOM 450 OP1 C A 15 1.364 -14.125 -6.139 1.00 0.00 O ATOM 451 OP2 C A 15 -0.593 -12.904 -5.035 1.00 0.00 O ATOM 452 O5' C A 15 1.526 -13.296 -3.767 1.00 0.00 O ATOM 453 C5' C A 15 2.890 -13.648 -3.588 1.00 0.00 C ATOM 454 C4' C A 15 3.293 -13.572 -2.105 1.00 0.00 C ATOM 455 O4' C A 15 3.063 -12.276 -1.568 1.00 0.00 O ATOM 456 C3' C A 15 2.518 -14.527 -1.189 1.00 0.00 C ATOM 457 O3' C A 15 2.970 -15.868 -1.278 1.00 0.00 O ATOM 458 C2' C A 15 2.731 -13.869 0.180 1.00 0.00 C ATOM 459 O2' C A 15 3.958 -14.219 0.806 1.00 0.00 O ATOM 460 C1' C A 15 2.738 -12.372 -0.183 1.00 0.00 C ATOM 461 N1 C A 15 1.419 -11.734 0.152 1.00 0.00 N ATOM 462 C2 C A 15 1.207 -11.264 1.470 1.00 0.00 C ATOM 463 O2 C A 15 2.075 -11.354 2.339 1.00 0.00 O ATOM 464 N3 C A 15 0.000 -10.701 1.794 1.00 0.00 N ATOM 465 C4 C A 15 -0.979 -10.588 0.881 1.00 0.00 C ATOM 466 N4 C A 15 -2.127 -10.036 1.263 1.00 0.00 N ATOM 467 C5 C A 15 -0.800 -11.060 -0.471 1.00 0.00 C ATOM 468 C6 C A 15 0.400 -11.623 -0.786 1.00 0.00 C ATOM 0 H5' C A 15 3.521 -12.980 -4.174 1.00 0.00 H new ATOM 0 H5'' C A 15 3.060 -14.657 -3.963 1.00 0.00 H new ATOM 0 H4' C A 15 4.348 -13.844 -2.118 1.00 0.00 H new ATOM 0 H3' C A 15 1.464 -14.643 -1.443 1.00 0.00 H new ATOM 0 H2' C A 15 1.971 -14.178 0.897 1.00 0.00 H new ATOM 0 HO2' C A 15 4.310 -15.038 0.400 1.00 0.00 H new ATOM 0 HO3' C A 15 2.443 -16.431 -0.673 1.00 0.00 H new ATOM 0 H1' C A 15 3.481 -11.827 0.399 1.00 0.00 H new ATOM 0 H41 C A 15 -2.891 -9.935 0.595 1.00 0.00 H new ATOM 0 H42 C A 15 -2.243 -9.714 2.224 1.00 0.00 H new ATOM 0 H5 C A 15 -1.587 -10.970 -1.205 1.00 0.00 H new ATOM 0 H6 C A 15 0.563 -11.992 -1.788 1.00 0.00 H new TER 481 C A 15