USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -123:sc= 1.23 USER MOD Single : A 1 G O5' : rot -36:sc= 0.0192 USER MOD Single : A 2 C O2' : rot -22:sc= 0.0957 USER MOD Single : A 3 A O2' : rot -17:sc= 0.202 USER MOD Single : A 4 G O2' : rot -18:sc= 0.396 USER MOD Single : A 5 U O2' : rot -15:sc= 0.223 USER MOD Single : A 6 G O2' : rot -33:sc= 0.286 USER MOD Single : A 7 G O2' : rot -16:sc= 0.563 USER MOD Single : A 8 C O2' : rot -23:sc= 0.554 USER MOD Single : A 8 C O3' : rot 180:sc= 0.366 USER MOD Single : B 101 G O2' : rot -26:sc= 0.477 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -130:sc= 1.25 USER MOD Single : B 103 C O2' : rot -19:sc= 0.104 USER MOD Single : B 104 A O2' : rot -17:sc= 0.35 USER MOD Single : B 106 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -7.034 -15.998 -8.708 1.00 0.00 O ATOM 2 C5' G A 1 -7.249 -14.603 -8.671 1.00 0.00 C ATOM 3 C4' G A 1 -8.510 -14.316 -7.856 1.00 0.00 C ATOM 4 O4' G A 1 -8.391 -14.855 -6.547 1.00 0.00 O ATOM 5 C3' G A 1 -8.757 -12.804 -7.735 1.00 0.00 C ATOM 6 O3' G A 1 -9.976 -12.433 -8.348 1.00 0.00 O ATOM 7 C2' G A 1 -8.858 -12.605 -6.223 1.00 0.00 C ATOM 8 O2' G A 1 -10.188 -12.671 -5.742 1.00 0.00 O ATOM 9 C1' G A 1 -8.115 -13.793 -5.653 1.00 0.00 C ATOM 10 N9 G A 1 -6.665 -13.558 -5.461 1.00 0.00 N ATOM 11 C8 G A 1 -5.801 -12.655 -6.036 1.00 0.00 C ATOM 12 N7 G A 1 -4.623 -12.613 -5.475 1.00 0.00 N ATOM 13 C5 G A 1 -4.733 -13.490 -4.403 1.00 0.00 C ATOM 14 C6 G A 1 -3.823 -13.788 -3.339 1.00 0.00 C ATOM 15 O6 G A 1 -2.693 -13.340 -3.135 1.00 0.00 O ATOM 16 N1 G A 1 -4.355 -14.687 -2.428 1.00 0.00 N ATOM 17 C2 G A 1 -5.621 -15.212 -2.510 1.00 0.00 C ATOM 18 N2 G A 1 -6.079 -15.989 -1.539 1.00 0.00 N ATOM 19 N3 G A 1 -6.467 -14.982 -3.511 1.00 0.00 N ATOM 20 C4 G A 1 -5.970 -14.093 -4.414 1.00 0.00 C ATOM 0 H5' G A 1 -7.357 -14.212 -9.683 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.390 -14.101 -8.225 1.00 0.00 H new ATOM 0 H4' G A 1 -9.346 -14.782 -8.378 1.00 0.00 H new ATOM 0 H3' G A 1 -7.982 -12.207 -8.216 1.00 0.00 H new ATOM 0 H2' G A 1 -8.469 -11.625 -5.945 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.404 -11.844 -5.263 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.303 -16.393 -7.853 1.00 0.00 H new ATOM 0 H1' G A 1 -8.452 -14.016 -4.641 1.00 0.00 H new ATOM 0 H8 G A 1 -6.073 -12.035 -6.878 1.00 0.00 H new ATOM 0 H1 G A 1 -3.768 -14.977 -1.646 1.00 0.00 H new ATOM 0 H21 G A 1 -7.019 -16.379 -1.599 1.00 0.00 H new ATOM 0 H22 G A 1 -5.491 -16.196 -0.732 1.00 0.00 H new ATOM 33 P C A 2 -10.289 -10.919 -8.706 1.00 0.00 P ATOM 34 OP1 C A 2 -11.650 -10.934 -9.278 1.00 0.00 O ATOM 35 OP2 C A 2 -9.176 -10.501 -9.571 1.00 0.00 O ATOM 36 O5' C A 2 -10.243 -10.015 -7.393 1.00 0.00 O ATOM 37 C5' C A 2 -11.402 -9.790 -6.612 1.00 0.00 C ATOM 38 C4' C A 2 -11.021 -9.350 -5.196 1.00 0.00 C ATOM 39 O4' C A 2 -10.059 -10.245 -4.633 1.00 0.00 O ATOM 40 C3' C A 2 -10.409 -7.955 -5.041 1.00 0.00 C ATOM 41 O3' C A 2 -11.332 -6.887 -5.015 1.00 0.00 O ATOM 42 C2' C A 2 -9.822 -8.152 -3.650 1.00 0.00 C ATOM 43 O2' C A 2 -10.857 -8.139 -2.670 1.00 0.00 O ATOM 44 C1' C A 2 -9.245 -9.553 -3.684 1.00 0.00 C ATOM 45 N1 C A 2 -7.783 -9.523 -4.017 1.00 0.00 N ATOM 46 C2 C A 2 -6.859 -9.537 -2.963 1.00 0.00 C ATOM 47 O2 C A 2 -7.220 -9.589 -1.784 1.00 0.00 O ATOM 48 N3 C A 2 -5.522 -9.523 -3.229 1.00 0.00 N ATOM 49 C4 C A 2 -5.084 -9.482 -4.493 1.00 0.00 C ATOM 50 N4 C A 2 -3.769 -9.442 -4.682 1.00 0.00 N ATOM 51 C5 C A 2 -6.000 -9.455 -5.600 1.00 0.00 C ATOM 52 C6 C A 2 -7.328 -9.456 -5.314 1.00 0.00 C ATOM 0 H5' C A 2 -11.999 -10.701 -6.567 1.00 0.00 H new ATOM 0 H5'' C A 2 -12.021 -9.026 -7.082 1.00 0.00 H new ATOM 0 H4' C A 2 -11.987 -9.347 -4.692 1.00 0.00 H new ATOM 0 H3' C A 2 -9.749 -7.674 -5.862 1.00 0.00 H new ATOM 0 H2' C A 2 -9.099 -7.374 -3.404 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.642 -7.674 -3.029 1.00 0.00 H new ATOM 0 H1' C A 2 -9.272 -10.065 -2.722 1.00 0.00 H new ATOM 0 H41 C A 2 -3.391 -9.410 -5.629 1.00 0.00 H new ATOM 0 H42 C A 2 -3.138 -9.443 -3.880 1.00 0.00 H new ATOM 0 H5 C A 2 -5.646 -9.435 -6.620 1.00 0.00 H new ATOM 0 H6 C A 2 -8.042 -9.403 -6.122 1.00 0.00 H new ATOM 64 P A A 3 -10.840 -5.363 -4.952 1.00 0.00 P ATOM 65 OP1 A A 3 -12.088 -4.589 -4.753 1.00 0.00 O ATOM 66 OP2 A A 3 -10.042 -5.112 -6.161 1.00 0.00 O ATOM 67 O5' A A 3 -9.933 -5.194 -3.635 1.00 0.00 O ATOM 68 C5' A A 3 -10.561 -5.035 -2.374 1.00 0.00 C ATOM 69 C4' A A 3 -9.721 -5.394 -1.146 1.00 0.00 C ATOM 70 O4' A A 3 -8.879 -6.522 -1.339 1.00 0.00 O ATOM 71 C3' A A 3 -8.902 -4.308 -0.459 1.00 0.00 C ATOM 72 O3' A A 3 -9.755 -3.601 0.432 1.00 0.00 O ATOM 73 C2' A A 3 -7.910 -5.188 0.310 1.00 0.00 C ATOM 74 O2' A A 3 -8.516 -5.712 1.480 1.00 0.00 O ATOM 75 C1' A A 3 -7.665 -6.351 -0.632 1.00 0.00 C ATOM 76 N9 A A 3 -6.525 -6.107 -1.540 1.00 0.00 N ATOM 77 C8 A A 3 -6.516 -5.903 -2.899 1.00 0.00 C ATOM 78 N7 A A 3 -5.330 -6.001 -3.446 1.00 0.00 N ATOM 79 C5 A A 3 -4.492 -6.199 -2.350 1.00 0.00 C ATOM 80 C6 A A 3 -3.097 -6.365 -2.215 1.00 0.00 C ATOM 81 N6 A A 3 -2.260 -6.380 -3.247 1.00 0.00 N ATOM 82 N1 A A 3 -2.573 -6.510 -0.989 1.00 0.00 N ATOM 83 C2 A A 3 -3.380 -6.479 0.067 1.00 0.00 C ATOM 84 N3 A A 3 -4.705 -6.369 0.087 1.00 0.00 N ATOM 85 C4 A A 3 -5.206 -6.222 -1.177 1.00 0.00 C ATOM 0 H5' A A 3 -11.463 -5.647 -2.362 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.879 -3.997 -2.279 1.00 0.00 H new ATOM 0 H4' A A 3 -10.540 -5.610 -0.460 1.00 0.00 H new ATOM 0 H3' A A 3 -8.437 -3.560 -1.101 1.00 0.00 H new ATOM 0 H2' A A 3 -7.016 -4.637 0.602 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.320 -5.193 1.693 1.00 0.00 H new ATOM 0 H1' A A 3 -7.390 -7.252 -0.084 1.00 0.00 H new ATOM 0 H8 A A 3 -7.408 -5.681 -3.466 1.00 0.00 H new ATOM 0 H61 A A 3 -1.260 -6.504 -3.091 1.00 0.00 H new ATOM 0 H62 A A 3 -2.618 -6.268 -4.196 1.00 0.00 H new ATOM 0 H2 A A 3 -2.898 -6.552 1.031 1.00 0.00 H new ATOM 97 P G A 4 -9.301 -2.295 1.207 1.00 0.00 P ATOM 98 OP1 G A 4 -10.414 -1.932 2.101 1.00 0.00 O ATOM 99 OP2 G A 4 -8.799 -1.319 0.214 1.00 0.00 O ATOM 100 O5' G A 4 -8.060 -2.776 2.076 1.00 0.00 O ATOM 101 C5' G A 4 -8.121 -3.122 3.436 1.00 0.00 C ATOM 102 C4' G A 4 -6.757 -3.644 3.936 1.00 0.00 C ATOM 103 O4' G A 4 -6.011 -4.309 2.911 1.00 0.00 O ATOM 104 C3' G A 4 -5.857 -2.544 4.517 1.00 0.00 C ATOM 105 O3' G A 4 -5.989 -2.510 5.929 1.00 0.00 O ATOM 106 C2' G A 4 -4.466 -3.070 4.178 1.00 0.00 C ATOM 107 O2' G A 4 -4.063 -4.014 5.152 1.00 0.00 O ATOM 108 C1' G A 4 -4.673 -3.809 2.874 1.00 0.00 C ATOM 109 N9 G A 4 -4.394 -2.950 1.702 1.00 0.00 N ATOM 110 C8 G A 4 -5.255 -2.398 0.801 1.00 0.00 C ATOM 111 N7 G A 4 -4.691 -1.774 -0.195 1.00 0.00 N ATOM 112 C5 G A 4 -3.334 -1.918 0.070 1.00 0.00 C ATOM 113 C6 G A 4 -2.198 -1.442 -0.657 1.00 0.00 C ATOM 114 O6 G A 4 -2.203 -0.804 -1.710 1.00 0.00 O ATOM 115 N1 G A 4 -0.994 -1.748 -0.025 1.00 0.00 N ATOM 116 C2 G A 4 -0.909 -2.422 1.177 1.00 0.00 C ATOM 117 N2 G A 4 0.257 -2.542 1.790 1.00 0.00 N ATOM 118 N3 G A 4 -1.965 -2.890 1.852 1.00 0.00 N ATOM 119 C4 G A 4 -3.148 -2.609 1.245 1.00 0.00 C ATOM 0 H5' G A 4 -8.884 -3.886 3.587 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.419 -2.253 4.023 1.00 0.00 H new ATOM 0 H4' G A 4 -7.024 -4.347 4.725 1.00 0.00 H new ATOM 0 H3' G A 4 -6.081 -1.547 4.138 1.00 0.00 H new ATOM 0 H2' G A 4 -3.719 -2.277 4.130 1.00 0.00 H new ATOM 0 HO2' G A 4 -4.611 -3.908 5.957 1.00 0.00 H new ATOM 0 H1' G A 4 -3.971 -4.635 2.764 1.00 0.00 H new ATOM 0 H8 G A 4 -6.327 -2.472 0.905 1.00 0.00 H new ATOM 0 H1 G A 4 -0.126 -1.458 -0.476 1.00 0.00 H new ATOM 0 H21 G A 4 0.317 -3.040 2.678 1.00 0.00 H new ATOM 0 H22 G A 4 1.096 -2.136 1.375 1.00 0.00 H new ATOM 131 P U A 5 -5.485 -1.291 6.817 1.00 0.00 P ATOM 132 OP1 U A 5 -5.683 -1.750 8.212 1.00 0.00 O ATOM 133 OP2 U A 5 -6.166 -0.063 6.375 1.00 0.00 O ATOM 134 O5' U A 5 -3.938 -1.097 6.541 1.00 0.00 O ATOM 135 C5' U A 5 -2.947 -1.723 7.327 1.00 0.00 C ATOM 136 C4' U A 5 -1.567 -1.335 6.796 1.00 0.00 C ATOM 137 O4' U A 5 -1.429 -1.680 5.425 1.00 0.00 O ATOM 138 C3' U A 5 -1.257 0.165 6.877 1.00 0.00 C ATOM 139 O3' U A 5 -0.839 0.565 8.172 1.00 0.00 O ATOM 140 C2' U A 5 -0.123 0.258 5.865 1.00 0.00 C ATOM 141 O2' U A 5 1.058 -0.179 6.513 1.00 0.00 O ATOM 142 C1' U A 5 -0.569 -0.738 4.792 1.00 0.00 C ATOM 143 N1 U A 5 -1.223 -0.031 3.661 1.00 0.00 N ATOM 144 C2 U A 5 -0.403 0.459 2.635 1.00 0.00 C ATOM 145 O2 U A 5 0.831 0.437 2.708 1.00 0.00 O ATOM 146 N3 U A 5 -1.054 0.984 1.526 1.00 0.00 N ATOM 147 C4 U A 5 -2.418 1.222 1.440 1.00 0.00 C ATOM 148 O4 U A 5 -2.928 1.707 0.431 1.00 0.00 O ATOM 149 C5 U A 5 -3.166 0.826 2.610 1.00 0.00 C ATOM 150 C6 U A 5 -2.578 0.187 3.646 1.00 0.00 C ATOM 0 H5' U A 5 -3.071 -2.805 7.296 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.047 -1.420 8.369 1.00 0.00 H new ATOM 0 H4' U A 5 -0.879 -1.883 7.440 1.00 0.00 H new ATOM 0 H3' U A 5 -2.111 0.812 6.677 1.00 0.00 H new ATOM 0 H2' U A 5 0.073 1.249 5.456 1.00 0.00 H new ATOM 0 HO2' U A 5 0.913 -0.194 7.482 1.00 0.00 H new ATOM 0 H1' U A 5 0.282 -1.264 4.358 1.00 0.00 H new ATOM 0 H3 U A 5 -0.485 1.212 0.711 1.00 0.00 H new ATOM 0 H5 U A 5 -4.222 1.046 2.659 1.00 0.00 H new ATOM 0 H6 U A 5 -3.182 -0.156 4.473 1.00 0.00 H new ATOM 161 P G A 6 -0.800 2.103 8.593 1.00 0.00 P ATOM 162 OP1 G A 6 -0.172 2.171 9.927 1.00 0.00 O ATOM 163 OP2 G A 6 -2.160 2.652 8.441 1.00 0.00 O ATOM 164 O5' G A 6 0.135 2.834 7.532 1.00 0.00 O ATOM 165 C5' G A 6 1.540 2.858 7.733 1.00 0.00 C ATOM 166 C4' G A 6 2.284 3.593 6.620 1.00 0.00 C ATOM 167 O4' G A 6 2.129 2.993 5.340 1.00 0.00 O ATOM 168 C3' G A 6 1.827 5.041 6.493 1.00 0.00 C ATOM 169 O3' G A 6 2.405 5.865 7.494 1.00 0.00 O ATOM 170 C2' G A 6 2.420 5.341 5.122 1.00 0.00 C ATOM 171 O2' G A 6 3.789 5.664 5.302 1.00 0.00 O ATOM 172 C1' G A 6 2.270 4.023 4.361 1.00 0.00 C ATOM 173 N9 G A 6 1.136 4.036 3.407 1.00 0.00 N ATOM 174 C8 G A 6 -0.172 3.645 3.594 1.00 0.00 C ATOM 175 N7 G A 6 -0.922 3.803 2.542 1.00 0.00 N ATOM 176 C5 G A 6 -0.049 4.267 1.570 1.00 0.00 C ATOM 177 C6 G A 6 -0.298 4.544 0.192 1.00 0.00 C ATOM 178 O6 G A 6 -1.364 4.470 -0.418 1.00 0.00 O ATOM 179 N1 G A 6 0.841 4.944 -0.489 1.00 0.00 N ATOM 180 C2 G A 6 2.080 5.076 0.088 1.00 0.00 C ATOM 181 N2 G A 6 3.072 5.469 -0.706 1.00 0.00 N ATOM 182 N3 G A 6 2.342 4.808 1.384 1.00 0.00 N ATOM 183 C4 G A 6 1.224 4.405 2.077 1.00 0.00 C ATOM 0 H5' G A 6 1.911 1.835 7.798 1.00 0.00 H new ATOM 0 H5'' G A 6 1.758 3.337 8.688 1.00 0.00 H new ATOM 0 H4' G A 6 3.331 3.538 6.918 1.00 0.00 H new ATOM 0 H3' G A 6 0.756 5.210 6.602 1.00 0.00 H new ATOM 0 H2' G A 6 1.944 6.168 4.595 1.00 0.00 H new ATOM 0 HO2' G A 6 3.908 6.115 6.164 1.00 0.00 H new ATOM 0 H1' G A 6 3.150 3.851 3.741 1.00 0.00 H new ATOM 0 H8 G A 6 -0.541 3.245 4.527 1.00 0.00 H new ATOM 0 H1 G A 6 0.753 5.154 -1.483 1.00 0.00 H new ATOM 0 H21 G A 6 4.013 5.583 -0.329 1.00 0.00 H new ATOM 0 H22 G A 6 2.892 5.656 -1.692 1.00 0.00 H new ATOM 195 P G A 7 1.808 7.300 7.813 1.00 0.00 P ATOM 196 OP1 G A 7 2.712 7.888 8.825 1.00 0.00 O ATOM 197 OP2 G A 7 0.392 7.125 8.183 1.00 0.00 O ATOM 198 O5' G A 7 1.962 8.111 6.445 1.00 0.00 O ATOM 199 C5' G A 7 2.852 9.208 6.371 1.00 0.00 C ATOM 200 C4' G A 7 3.240 9.633 4.954 1.00 0.00 C ATOM 201 O4' G A 7 3.288 8.540 4.052 1.00 0.00 O ATOM 202 C3' G A 7 2.319 10.705 4.363 1.00 0.00 C ATOM 203 O3' G A 7 2.782 12.021 4.674 1.00 0.00 O ATOM 204 C2' G A 7 2.540 10.459 2.876 1.00 0.00 C ATOM 205 O2' G A 7 3.726 11.157 2.557 1.00 0.00 O ATOM 206 C1' G A 7 2.720 8.949 2.819 1.00 0.00 C ATOM 207 N9 G A 7 1.412 8.314 2.559 1.00 0.00 N ATOM 208 C8 G A 7 0.484 7.811 3.431 1.00 0.00 C ATOM 209 N7 G A 7 -0.625 7.430 2.854 1.00 0.00 N ATOM 210 C5 G A 7 -0.437 7.736 1.509 1.00 0.00 C ATOM 211 C6 G A 7 -1.316 7.613 0.380 1.00 0.00 C ATOM 212 O6 G A 7 -2.471 7.181 0.348 1.00 0.00 O ATOM 213 N1 G A 7 -0.717 8.032 -0.804 1.00 0.00 N ATOM 214 C2 G A 7 0.580 8.480 -0.894 1.00 0.00 C ATOM 215 N2 G A 7 1.071 8.786 -2.081 1.00 0.00 N ATOM 216 N3 G A 7 1.411 8.613 0.145 1.00 0.00 N ATOM 217 C4 G A 7 0.834 8.233 1.320 1.00 0.00 C ATOM 0 H5' G A 7 3.760 8.957 6.920 1.00 0.00 H new ATOM 0 H5'' G A 7 2.398 10.060 6.878 1.00 0.00 H new ATOM 0 H4' G A 7 4.237 10.057 5.070 1.00 0.00 H new ATOM 0 H3' G A 7 1.291 10.648 4.721 1.00 0.00 H new ATOM 0 H2' G A 7 1.758 10.783 2.190 1.00 0.00 H new ATOM 0 HO2' G A 7 3.932 11.795 3.272 1.00 0.00 H new ATOM 0 H1' G A 7 3.386 8.646 2.011 1.00 0.00 H new ATOM 0 H8 G A 7 0.653 7.736 4.495 1.00 0.00 H new ATOM 0 H1 G A 7 -1.274 8.005 -1.658 1.00 0.00 H new ATOM 0 H21 G A 7 2.031 9.120 -2.165 1.00 0.00 H new ATOM 0 H22 G A 7 0.490 8.689 -2.914 1.00 0.00 H new ATOM 229 P C A 8 1.845 13.302 4.524 1.00 0.00 P ATOM 230 OP1 C A 8 2.758 14.468 4.438 1.00 0.00 O ATOM 231 OP2 C A 8 0.867 13.270 5.613 1.00 0.00 O ATOM 232 O5' C A 8 1.069 13.180 3.140 1.00 0.00 O ATOM 233 C5' C A 8 1.573 13.694 1.922 1.00 0.00 C ATOM 234 C4' C A 8 0.459 13.759 0.874 1.00 0.00 C ATOM 235 O4' C A 8 0.049 12.464 0.453 1.00 0.00 O ATOM 236 C3' C A 8 -0.794 14.494 1.372 1.00 0.00 C ATOM 237 O3' C A 8 -0.737 15.899 1.124 1.00 0.00 O ATOM 238 C2' C A 8 -1.864 13.870 0.491 1.00 0.00 C ATOM 239 O2' C A 8 -1.846 14.643 -0.688 1.00 0.00 O ATOM 240 C1' C A 8 -1.373 12.441 0.280 1.00 0.00 C ATOM 241 N1 C A 8 -2.058 11.505 1.217 1.00 0.00 N ATOM 242 C2 C A 8 -3.349 11.070 0.895 1.00 0.00 C ATOM 243 O2 C A 8 -3.943 11.504 -0.095 1.00 0.00 O ATOM 244 N3 C A 8 -3.998 10.212 1.733 1.00 0.00 N ATOM 245 C4 C A 8 -3.386 9.755 2.832 1.00 0.00 C ATOM 246 N4 C A 8 -4.070 8.943 3.622 1.00 0.00 N ATOM 247 C5 C A 8 -2.104 10.248 3.233 1.00 0.00 C ATOM 248 C6 C A 8 -1.483 11.114 2.399 1.00 0.00 C ATOM 0 H5' C A 8 2.385 13.063 1.561 1.00 0.00 H new ATOM 0 H5'' C A 8 1.989 14.688 2.083 1.00 0.00 H new ATOM 0 H4' C A 8 0.898 14.312 0.043 1.00 0.00 H new ATOM 0 H3' C A 8 -0.946 14.399 2.447 1.00 0.00 H new ATOM 0 H2' C A 8 -2.883 13.848 0.878 1.00 0.00 H new ATOM 0 HO2' C A 8 -1.471 15.527 -0.494 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.556 16.323 1.456 1.00 0.00 H new ATOM 0 H1' C A 8 -1.611 12.075 -0.719 1.00 0.00 H new ATOM 0 H41 C A 8 -3.639 8.573 4.469 1.00 0.00 H new ATOM 0 H42 C A 8 -5.028 8.687 3.384 1.00 0.00 H new ATOM 0 H5 C A 8 -1.650 9.941 4.164 1.00 0.00 H new ATOM 0 H6 C A 8 -0.514 11.506 2.670 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.684 11.305 -6.621 1.00 0.00 O ATOM 263 C5' G B 101 -8.622 10.375 -6.719 1.00 0.00 C ATOM 264 C4' G B 101 -7.372 11.073 -7.260 1.00 0.00 C ATOM 265 O4' G B 101 -6.827 11.961 -6.290 1.00 0.00 O ATOM 266 C3' G B 101 -6.251 10.094 -7.623 1.00 0.00 C ATOM 267 O3' G B 101 -6.397 9.579 -8.938 1.00 0.00 O ATOM 268 C2' G B 101 -5.057 11.044 -7.589 1.00 0.00 C ATOM 269 O2' G B 101 -5.003 11.689 -8.848 1.00 0.00 O ATOM 270 C1' G B 101 -5.419 12.047 -6.491 1.00 0.00 C ATOM 271 N9 G B 101 -4.669 11.707 -5.261 1.00 0.00 N ATOM 272 C8 G B 101 -4.952 10.760 -4.311 1.00 0.00 C ATOM 273 N7 G B 101 -3.976 10.548 -3.475 1.00 0.00 N ATOM 274 C5 G B 101 -2.970 11.411 -3.885 1.00 0.00 C ATOM 275 C6 G B 101 -1.627 11.576 -3.409 1.00 0.00 C ATOM 276 O6 G B 101 -1.017 10.962 -2.533 1.00 0.00 O ATOM 277 N1 G B 101 -0.945 12.565 -4.097 1.00 0.00 N ATOM 278 C2 G B 101 -1.452 13.270 -5.160 1.00 0.00 C ATOM 279 N2 G B 101 -0.627 14.110 -5.771 1.00 0.00 N ATOM 280 N3 G B 101 -2.700 13.118 -5.632 1.00 0.00 N ATOM 281 C4 G B 101 -3.407 12.162 -4.955 1.00 0.00 C ATOM 0 H5' G B 101 -8.905 9.554 -7.377 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.414 9.942 -5.741 1.00 0.00 H new ATOM 0 H4' G B 101 -7.706 11.601 -8.153 1.00 0.00 H new ATOM 0 H3' G B 101 -6.200 9.220 -6.974 1.00 0.00 H new ATOM 0 H2' G B 101 -4.096 10.565 -7.399 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.427 11.121 -9.525 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.483 10.854 -6.276 1.00 0.00 H new ATOM 0 H1' G B 101 -5.154 13.068 -6.766 1.00 0.00 H new ATOM 0 H8 G B 101 -5.896 10.238 -4.261 1.00 0.00 H new ATOM 0 H1 G B 101 0.003 12.786 -3.792 1.00 0.00 H new ATOM 0 H21 G B 101 -0.954 14.658 -6.567 1.00 0.00 H new ATOM 0 H22 G B 101 0.335 14.208 -5.445 1.00 0.00 H new ATOM 294 P C B 102 -5.640 8.262 -9.426 1.00 0.00 P ATOM 295 OP1 C B 102 -5.814 8.218 -10.891 1.00 0.00 O ATOM 296 OP2 C B 102 -6.074 7.114 -8.601 1.00 0.00 O ATOM 297 O5' C B 102 -4.114 8.501 -9.088 1.00 0.00 O ATOM 298 C5' C B 102 -3.141 8.818 -10.058 1.00 0.00 C ATOM 299 C4' C B 102 -1.789 8.945 -9.359 1.00 0.00 C ATOM 300 O4' C B 102 -1.877 9.698 -8.150 1.00 0.00 O ATOM 301 C3' C B 102 -1.250 7.570 -8.991 1.00 0.00 C ATOM 302 O3' C B 102 -0.627 6.962 -10.106 1.00 0.00 O ATOM 303 C2' C B 102 -0.297 7.946 -7.870 1.00 0.00 C ATOM 304 O2' C B 102 0.950 8.398 -8.364 1.00 0.00 O ATOM 305 C1' C B 102 -1.032 9.088 -7.170 1.00 0.00 C ATOM 306 N1 C B 102 -1.738 8.566 -5.954 1.00 0.00 N ATOM 307 C2 C B 102 -1.003 8.473 -4.768 1.00 0.00 C ATOM 308 O2 C B 102 0.188 8.805 -4.731 1.00 0.00 O ATOM 309 N3 C B 102 -1.592 8.000 -3.631 1.00 0.00 N ATOM 310 C4 C B 102 -2.874 7.599 -3.648 1.00 0.00 C ATOM 311 N4 C B 102 -3.434 7.174 -2.518 1.00 0.00 N ATOM 312 C5 C B 102 -3.624 7.589 -4.870 1.00 0.00 C ATOM 313 C6 C B 102 -3.023 8.079 -5.983 1.00 0.00 C ATOM 0 H5' C B 102 -3.397 9.750 -10.562 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.101 8.043 -10.823 1.00 0.00 H new ATOM 0 H4' C B 102 -1.130 9.455 -10.061 1.00 0.00 H new ATOM 0 H3' C B 102 -1.987 6.825 -8.690 1.00 0.00 H new ATOM 0 H2' C B 102 -0.062 7.102 -7.222 1.00 0.00 H new ATOM 0 HO2' C B 102 1.675 7.922 -7.908 1.00 0.00 H new ATOM 0 H1' C B 102 -0.363 9.859 -6.787 1.00 0.00 H new ATOM 0 H41 C B 102 -4.406 6.866 -2.515 1.00 0.00 H new ATOM 0 H42 C B 102 -2.891 7.156 -1.655 1.00 0.00 H new ATOM 0 H5 C B 102 -4.633 7.205 -4.903 1.00 0.00 H new ATOM 0 H6 C B 102 -3.568 8.087 -6.915 1.00 0.00 H new ATOM 325 P C B 103 -0.282 5.407 -10.145 1.00 0.00 P ATOM 326 OP1 C B 103 -0.042 5.039 -11.550 1.00 0.00 O ATOM 327 OP2 C B 103 -1.280 4.659 -9.346 1.00 0.00 O ATOM 328 O5' C B 103 1.087 5.284 -9.356 1.00 0.00 O ATOM 329 C5' C B 103 2.326 5.654 -9.912 1.00 0.00 C ATOM 330 C4' C B 103 3.340 5.763 -8.766 1.00 0.00 C ATOM 331 O4' C B 103 2.817 6.572 -7.711 1.00 0.00 O ATOM 332 C3' C B 103 3.729 4.426 -8.127 1.00 0.00 C ATOM 333 O3' C B 103 4.781 3.727 -8.791 1.00 0.00 O ATOM 334 C2' C B 103 4.225 4.956 -6.782 1.00 0.00 C ATOM 335 O2' C B 103 5.510 5.539 -6.943 1.00 0.00 O ATOM 336 C1' C B 103 3.241 6.066 -6.444 1.00 0.00 C ATOM 337 N1 C B 103 2.115 5.595 -5.578 1.00 0.00 N ATOM 338 C2 C B 103 2.260 5.665 -4.182 1.00 0.00 C ATOM 339 O2 C B 103 3.327 5.985 -3.640 1.00 0.00 O ATOM 340 N3 C B 103 1.195 5.399 -3.374 1.00 0.00 N ATOM 341 C4 C B 103 0.014 5.071 -3.920 1.00 0.00 C ATOM 342 N4 C B 103 -1.025 4.840 -3.146 1.00 0.00 N ATOM 343 C5 C B 103 -0.168 4.975 -5.327 1.00 0.00 C ATOM 344 C6 C B 103 0.904 5.219 -6.109 1.00 0.00 C ATOM 0 H5' C B 103 2.240 6.605 -10.438 1.00 0.00 H new ATOM 0 H5'' C B 103 2.653 4.914 -10.643 1.00 0.00 H new ATOM 0 H4' C B 103 4.225 6.195 -9.234 1.00 0.00 H new ATOM 0 H3' C B 103 2.920 3.695 -8.125 1.00 0.00 H new ATOM 0 H2' C B 103 4.290 4.176 -6.024 1.00 0.00 H new ATOM 0 HO2' C B 103 5.915 5.214 -7.774 1.00 0.00 H new ATOM 0 H1' C B 103 3.698 6.851 -5.841 1.00 0.00 H new ATOM 0 H41 C B 103 -1.923 4.591 -3.559 1.00 0.00 H new ATOM 0 H42 C B 103 -0.932 4.910 -2.133 1.00 0.00 H new ATOM 0 H5 C B 103 -1.126 4.717 -5.753 1.00 0.00 H new ATOM 0 H6 C B 103 0.808 5.116 -7.180 1.00 0.00 H new ATOM 356 P A B 104 5.044 2.174 -8.482 1.00 0.00 P ATOM 357 OP1 A B 104 6.244 1.761 -9.248 1.00 0.00 O ATOM 358 OP2 A B 104 3.782 1.450 -8.735 1.00 0.00 O ATOM 359 O5' A B 104 5.372 2.081 -6.921 1.00 0.00 O ATOM 360 C5' A B 104 6.637 2.472 -6.417 1.00 0.00 C ATOM 361 C4' A B 104 6.707 2.540 -4.891 1.00 0.00 C ATOM 362 O4' A B 104 5.703 3.369 -4.320 1.00 0.00 O ATOM 363 C3' A B 104 6.625 1.188 -4.194 1.00 0.00 C ATOM 364 O3' A B 104 7.914 0.598 -4.084 1.00 0.00 O ATOM 365 C2' A B 104 6.136 1.621 -2.819 1.00 0.00 C ATOM 366 O2' A B 104 7.270 2.086 -2.108 1.00 0.00 O ATOM 367 C1' A B 104 5.185 2.770 -3.137 1.00 0.00 C ATOM 368 N9 A B 104 3.780 2.329 -3.322 1.00 0.00 N ATOM 369 C8 A B 104 3.039 2.180 -4.472 1.00 0.00 C ATOM 370 N7 A B 104 1.773 1.928 -4.272 1.00 0.00 N ATOM 371 C5 A B 104 1.688 1.839 -2.885 1.00 0.00 C ATOM 372 C6 A B 104 0.619 1.579 -2.004 1.00 0.00 C ATOM 373 N6 A B 104 -0.612 1.365 -2.452 1.00 0.00 N ATOM 374 N1 A B 104 0.856 1.522 -0.681 1.00 0.00 N ATOM 375 C2 A B 104 2.106 1.703 -0.250 1.00 0.00 C ATOM 376 N3 A B 104 3.201 1.964 -0.967 1.00 0.00 N ATOM 377 C4 A B 104 2.916 2.015 -2.300 1.00 0.00 C ATOM 0 H5' A B 104 6.893 3.450 -6.826 1.00 0.00 H new ATOM 0 H5'' A B 104 7.391 1.770 -6.774 1.00 0.00 H new ATOM 0 H4' A B 104 7.695 2.968 -4.721 1.00 0.00 H new ATOM 0 H3' A B 104 6.003 0.451 -4.703 1.00 0.00 H new ATOM 0 H2' A B 104 5.652 0.846 -2.226 1.00 0.00 H new ATOM 0 HO2' A B 104 8.086 1.775 -2.553 1.00 0.00 H new ATOM 0 H1' A B 104 5.140 3.472 -2.304 1.00 0.00 H new ATOM 0 H8 A B 104 3.469 2.265 -5.459 1.00 0.00 H new ATOM 0 H61 A B 104 -1.369 1.179 -1.794 1.00 0.00 H new ATOM 0 H62 A B 104 -0.801 1.387 -3.454 1.00 0.00 H new ATOM 0 H2 A B 104 2.250 1.629 0.818 1.00 0.00 H new ATOM 389 P DC B 105 8.129 -0.941 -4.406 1.00 0.00 P ATOM 390 OP1 DC B 105 9.586 -1.194 -4.399 1.00 0.00 O ATOM 391 OP2 DC B 105 7.354 -1.250 -5.623 1.00 0.00 O ATOM 392 O5' DC B 105 7.485 -1.638 -3.127 1.00 0.00 O ATOM 393 C5' DC B 105 8.248 -1.736 -1.937 1.00 0.00 C ATOM 394 C4' DC B 105 7.419 -1.808 -0.656 1.00 0.00 C ATOM 395 O4' DC B 105 6.429 -0.787 -0.642 1.00 0.00 O ATOM 396 C3' DC B 105 6.734 -3.147 -0.384 1.00 0.00 C ATOM 397 O3' DC B 105 7.630 -4.011 0.299 1.00 0.00 O ATOM 398 C2' DC B 105 5.620 -2.655 0.534 1.00 0.00 C ATOM 399 C1' DC B 105 5.246 -1.288 -0.029 1.00 0.00 C ATOM 400 N1 DC B 105 4.077 -1.387 -0.951 1.00 0.00 N ATOM 401 C2 DC B 105 2.809 -1.482 -0.369 1.00 0.00 C ATOM 402 O2 DC B 105 2.666 -1.472 0.857 1.00 0.00 O ATOM 403 N3 DC B 105 1.709 -1.598 -1.162 1.00 0.00 N ATOM 404 C4 DC B 105 1.838 -1.598 -2.492 1.00 0.00 C ATOM 405 N4 DC B 105 0.733 -1.683 -3.210 1.00 0.00 N ATOM 406 C5 DC B 105 3.118 -1.482 -3.124 1.00 0.00 C ATOM 407 C6 DC B 105 4.206 -1.378 -2.318 1.00 0.00 C ATOM 0 H5' DC B 105 8.914 -0.875 -1.876 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.878 -2.623 -1.997 1.00 0.00 H new ATOM 0 H4' DC B 105 8.153 -1.672 0.138 1.00 0.00 H new ATOM 0 H3' DC B 105 6.399 -3.714 -1.253 1.00 0.00 H new ATOM 0 H2' DC B 105 4.768 -3.335 0.526 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.959 -2.581 1.567 1.00 0.00 H new ATOM 0 H1' DC B 105 4.913 -0.594 0.743 1.00 0.00 H new ATOM 0 H41 DC B 105 0.786 -1.686 -4.229 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.173 -1.745 -2.746 1.00 0.00 H new ATOM 0 H5 DC B 105 3.214 -1.477 -4.200 1.00 0.00 H new ATOM 0 H6 DC B 105 5.188 -1.287 -2.759 1.00 0.00 H new ATOM 419 P DT B 106 7.348 -5.567 0.536 1.00 0.00 P ATOM 420 OP1 DT B 106 8.411 -5.989 1.471 1.00 0.00 O ATOM 421 OP2 DT B 106 7.245 -6.224 -0.782 1.00 0.00 O ATOM 422 O5' DT B 106 5.940 -5.719 1.288 1.00 0.00 O ATOM 423 C5' DT B 106 5.831 -5.433 2.673 1.00 0.00 C ATOM 424 C4' DT B 106 4.412 -5.605 3.216 1.00 0.00 C ATOM 425 O4' DT B 106 3.556 -4.697 2.549 1.00 0.00 O ATOM 426 C3' DT B 106 3.815 -7.002 3.045 1.00 0.00 C ATOM 427 O3' DT B 106 4.111 -7.858 4.141 1.00 0.00 O ATOM 428 C2' DT B 106 2.331 -6.679 2.985 1.00 0.00 C ATOM 429 C1' DT B 106 2.268 -5.278 2.402 1.00 0.00 C ATOM 430 N1 DT B 106 1.812 -5.330 0.995 1.00 0.00 N ATOM 431 C2 DT B 106 0.443 -5.494 0.763 1.00 0.00 C ATOM 432 O2 DT B 106 -0.379 -5.673 1.667 1.00 0.00 O ATOM 433 N3 DT B 106 0.048 -5.453 -0.557 1.00 0.00 N ATOM 434 C4 DT B 106 0.875 -5.296 -1.653 1.00 0.00 C ATOM 435 O4 DT B 106 0.379 -5.305 -2.777 1.00 0.00 O ATOM 436 C5 DT B 106 2.291 -5.170 -1.329 1.00 0.00 C ATOM 437 C7 DT B 106 3.318 -5.000 -2.426 1.00 0.00 C ATOM 438 C6 DT B 106 2.707 -5.220 -0.040 1.00 0.00 C ATOM 0 H5' DT B 106 6.160 -4.409 2.853 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.506 -6.086 3.226 1.00 0.00 H new ATOM 0 H4' DT B 106 4.489 -5.423 4.288 1.00 0.00 H new ATOM 0 H3' DT B 106 4.203 -7.540 2.180 1.00 0.00 H new ATOM 0 H2' DT B 106 1.795 -7.393 2.360 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.876 -6.717 3.975 1.00 0.00 H new ATOM 0 H1' DT B 106 1.543 -4.656 2.927 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.950 -5.548 -0.743 1.00 0.00 H new ATOM 0 H71 DT B 106 4.160 -4.419 -2.050 1.00 0.00 H new ATOM 0 H72 DT B 106 3.670 -5.979 -2.750 1.00 0.00 H new ATOM 0 H73 DT B 106 2.866 -4.479 -3.270 1.00 0.00 H new ATOM 0 H6 DT B 106 3.764 -5.172 0.177 1.00 0.00 H new ATOM 451 P DG B 107 3.622 -9.386 4.171 1.00 0.00 P ATOM 452 OP1 DG B 107 4.233 -9.999 5.366 1.00 0.00 O ATOM 453 OP2 DG B 107 3.877 -9.986 2.852 1.00 0.00 O ATOM 454 O5' DG B 107 2.046 -9.411 4.415 1.00 0.00 O ATOM 455 C5' DG B 107 1.473 -8.856 5.592 1.00 0.00 C ATOM 456 C4' DG B 107 -0.061 -8.874 5.569 1.00 0.00 C ATOM 457 O4' DG B 107 -0.561 -8.448 4.303 1.00 0.00 O ATOM 458 C3' DG B 107 -0.622 -10.272 5.830 1.00 0.00 C ATOM 459 O3' DG B 107 -1.797 -10.152 6.622 1.00 0.00 O ATOM 460 C2' DG B 107 -0.898 -10.765 4.419 1.00 0.00 C ATOM 461 C1' DG B 107 -1.352 -9.484 3.729 1.00 0.00 C ATOM 462 N9 DG B 107 -1.170 -9.569 2.261 1.00 0.00 N ATOM 463 C8 DG B 107 0.004 -9.730 1.576 1.00 0.00 C ATOM 464 N7 DG B 107 -0.147 -9.873 0.286 1.00 0.00 N ATOM 465 C5 DG B 107 -1.523 -9.782 0.092 1.00 0.00 C ATOM 466 C6 DG B 107 -2.299 -9.867 -1.115 1.00 0.00 C ATOM 467 O6 DG B 107 -1.894 -10.008 -2.276 1.00 0.00 O ATOM 468 N1 DG B 107 -3.669 -9.803 -0.877 1.00 0.00 N ATOM 469 C2 DG B 107 -4.227 -9.677 0.378 1.00 0.00 C ATOM 470 N2 DG B 107 -5.547 -9.636 0.495 1.00 0.00 N ATOM 471 N3 DG B 107 -3.512 -9.570 1.512 1.00 0.00 N ATOM 472 C4 DG B 107 -2.162 -9.628 1.303 1.00 0.00 C ATOM 0 H5' DG B 107 1.818 -7.829 5.710 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.826 -9.413 6.460 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.379 -8.194 6.359 1.00 0.00 H new ATOM 0 H3' DG B 107 0.027 -10.955 6.379 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.009 -11.189 3.952 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.668 -11.537 4.398 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.416 -9.298 3.876 1.00 0.00 H new ATOM 0 H8 DG B 107 0.970 -9.738 2.059 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.298 -9.852 -1.679 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.975 -9.543 1.416 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.135 -9.697 -0.336 1.00 0.00 H new ATOM 484 P DC B 108 -2.528 -11.427 7.250 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.280 -11.049 8.464 1.00 0.00 O ATOM 486 OP2 DC B 108 -1.582 -12.560 7.361 1.00 0.00 O ATOM 487 O5' DC B 108 -3.595 -11.835 6.141 1.00 0.00 O ATOM 488 C5' DC B 108 -4.952 -11.410 6.201 1.00 0.00 C ATOM 489 C4' DC B 108 -5.839 -12.393 5.430 1.00 0.00 C ATOM 490 O4' DC B 108 -5.743 -12.137 4.043 1.00 0.00 O ATOM 491 C3' DC B 108 -5.419 -13.862 5.623 1.00 0.00 C ATOM 492 O3' DC B 108 -5.953 -14.449 6.795 1.00 0.00 O ATOM 493 C2' DC B 108 -5.884 -14.511 4.332 1.00 0.00 C ATOM 494 C1' DC B 108 -5.846 -13.360 3.320 1.00 0.00 C ATOM 495 N1 DC B 108 -4.678 -13.468 2.405 1.00 0.00 N ATOM 496 C2 DC B 108 -4.882 -13.922 1.103 1.00 0.00 C ATOM 497 O2 DC B 108 -5.948 -14.440 0.755 1.00 0.00 O ATOM 498 N3 DC B 108 -3.858 -13.827 0.208 1.00 0.00 N ATOM 499 C4 DC B 108 -2.679 -13.307 0.561 1.00 0.00 C ATOM 500 N4 DC B 108 -1.762 -13.149 -0.381 1.00 0.00 N ATOM 501 C5 DC B 108 -2.388 -13.006 1.931 1.00 0.00 C ATOM 502 C6 DC B 108 -3.420 -13.099 2.812 1.00 0.00 C ATOM 0 H5' DC B 108 -5.048 -10.410 5.778 1.00 0.00 H new ATOM 0 H5'' DC B 108 -5.278 -11.349 7.239 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.848 -12.249 5.817 1.00 0.00 H new ATOM 0 H3' DC B 108 -4.349 -13.987 5.788 1.00 0.00 H new ATOM 0 H2' DC B 108 -5.228 -15.329 4.035 1.00 0.00 H new ATOM 0 H2'' DC B 108 -6.887 -14.927 4.430 1.00 0.00 H new ATOM 0 HO3' DC B 108 -5.653 -15.380 6.861 1.00 0.00 H new ATOM 0 H1' DC B 108 -6.754 -13.398 2.718 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.851 -12.755 -0.145 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.966 -13.422 -1.342 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.397 -12.719 2.249 1.00 0.00 H new ATOM 0 H6 DC B 108 -3.246 -12.878 3.855 1.00 0.00 H new TER 515 DC B 108