USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 133 hydrogens (42 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 U5P O3' : rot 180:sc= -0.0122 USER MOD Single : A 6 U5P O3' : rot 180:sc= -0.212 USER MOD Single : A 7 C5P O3' : rot 38:sc= -0.0551 USER MOD Single : A 8 5GP O3' : rot 85:sc= 0.258 USER MOD Single : A 10 DT C7 :methyl 150:sc= -1.04 (180deg=-1.04) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.527 -9.780 5.025 1.00 0.00 O ATOM 2 C5' DG A 1 4.962 -11.101 5.080 1.00 0.00 C ATOM 3 C4' DG A 1 3.486 -11.121 4.715 1.00 0.00 C ATOM 4 O4' DG A 1 2.725 -10.249 5.593 1.00 0.00 O ATOM 5 C3' DG A 1 3.265 -10.637 3.283 1.00 0.00 C ATOM 6 O3' DG A 1 2.453 -11.581 2.552 1.00 0.00 O ATOM 7 C2' DG A 1 2.568 -9.323 3.434 1.00 0.00 C ATOM 8 C1' DG A 1 1.940 -9.340 4.792 1.00 0.00 C ATOM 9 N9 DG A 1 1.918 -7.996 5.384 1.00 0.00 N ATOM 10 C8 DG A 1 2.943 -7.182 5.717 1.00 0.00 C ATOM 11 N7 DG A 1 2.654 -6.046 6.261 1.00 0.00 N ATOM 12 C5 DG A 1 1.254 -6.101 6.297 1.00 0.00 C ATOM 13 C6 DG A 1 0.307 -5.156 6.780 1.00 0.00 C ATOM 14 O6 DG A 1 0.508 -4.058 7.294 1.00 0.00 O ATOM 15 N1 DG A 1 -0.989 -5.616 6.620 1.00 0.00 N ATOM 16 C2 DG A 1 -1.342 -6.824 6.068 1.00 0.00 C ATOM 17 N2 DG A 1 -2.635 -7.084 5.991 1.00 0.00 N ATOM 18 N3 DG A 1 -0.470 -7.713 5.615 1.00 0.00 N ATOM 19 C4 DG A 1 0.803 -7.295 5.757 1.00 0.00 C ATOM 0 H5' DG A 1 5.090 -11.505 6.084 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.509 -11.755 4.401 1.00 0.00 H new ATOM 0 H4' DG A 1 3.151 -12.153 4.818 1.00 0.00 H new ATOM 0 H3' DG A 1 4.195 -10.540 2.723 1.00 0.00 H new ATOM 0 H2' DG A 1 3.271 -8.496 3.340 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.814 -9.190 2.658 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.475 -9.819 5.269 1.00 0.00 H new ATOM 0 H1' DG A 1 0.901 -9.665 4.737 1.00 0.00 H new ATOM 0 H8 DG A 1 3.968 -7.470 5.535 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.744 -5.008 6.938 1.00 0.00 H new ATOM 0 H21 DG A 1 -2.955 -7.966 5.590 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.313 -6.403 6.332 1.00 0.00 H new ATOM 32 P DG A 2 1.771 -11.203 1.131 1.00 0.00 P ATOM 33 OP1 DG A 2 1.352 -12.459 0.473 1.00 0.00 O ATOM 34 OP2 DG A 2 2.668 -10.264 0.419 1.00 0.00 O ATOM 35 O5' DG A 2 0.440 -10.390 1.571 1.00 0.00 O ATOM 36 C5' DG A 2 -0.779 -11.091 1.909 1.00 0.00 C ATOM 37 C4' DG A 2 -2.029 -10.214 1.838 1.00 0.00 C ATOM 38 O4' DG A 2 -1.985 -9.131 2.809 1.00 0.00 O ATOM 39 C3' DG A 2 -2.194 -9.582 0.455 1.00 0.00 C ATOM 40 O3' DG A 2 -3.457 -9.950 -0.139 1.00 0.00 O ATOM 41 C2' DG A 2 -2.115 -8.109 0.697 1.00 0.00 C ATOM 42 C1' DG A 2 -2.377 -7.901 2.158 1.00 0.00 C ATOM 43 N9 DG A 2 -1.599 -6.762 2.672 1.00 0.00 N ATOM 44 C8 DG A 2 -0.262 -6.607 2.730 1.00 0.00 C ATOM 45 N7 DG A 2 0.198 -5.529 3.260 1.00 0.00 N ATOM 46 C5 DG A 2 -0.980 -4.860 3.603 1.00 0.00 C ATOM 47 C6 DG A 2 -1.163 -3.601 4.227 1.00 0.00 C ATOM 48 O6 DG A 2 -0.311 -2.811 4.622 1.00 0.00 O ATOM 49 N1 DG A 2 -2.503 -3.305 4.384 1.00 0.00 N ATOM 50 C2 DG A 2 -3.548 -4.108 3.995 1.00 0.00 C ATOM 51 N2 DG A 2 -4.763 -3.641 4.225 1.00 0.00 N ATOM 52 N3 DG A 2 -3.394 -5.293 3.411 1.00 0.00 N ATOM 53 C4 DG A 2 -2.090 -5.610 3.243 1.00 0.00 C ATOM 0 H5' DG A 2 -0.687 -11.497 2.916 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.901 -11.938 1.233 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.868 -10.876 2.054 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.430 -9.921 -0.245 1.00 0.00 H new ATOM 0 H2' DG A 2 -1.134 -7.723 0.420 1.00 0.00 H new ATOM 0 H2'' DG A 2 -2.849 -7.577 0.092 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.425 -7.669 2.347 1.00 0.00 H new ATOM 0 H8 DG A 2 0.403 -7.365 2.343 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.736 -2.416 4.826 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.580 -4.191 3.959 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.884 -2.731 4.669 1.00 0.00 H new ATOM 65 P DA A 3 -3.980 -9.266 -1.514 1.00 0.00 P ATOM 66 OP1 DA A 3 -5.032 -10.133 -2.090 1.00 0.00 O ATOM 67 OP2 DA A 3 -2.802 -8.896 -2.331 1.00 0.00 O ATOM 68 O5' DA A 3 -4.677 -7.900 -0.991 1.00 0.00 O ATOM 69 C5' DA A 3 -5.941 -7.935 -0.305 1.00 0.00 C ATOM 70 C4' DA A 3 -6.529 -6.534 -0.085 1.00 0.00 C ATOM 71 O4' DA A 3 -5.666 -5.709 0.747 1.00 0.00 O ATOM 72 C3' DA A 3 -6.729 -5.798 -1.406 1.00 0.00 C ATOM 73 O3' DA A 3 -8.103 -5.391 -1.560 1.00 0.00 O ATOM 74 C2' DA A 3 -5.814 -4.617 -1.330 1.00 0.00 C ATOM 75 C1' DA A 3 -5.496 -4.416 0.125 1.00 0.00 C ATOM 76 N9 DA A 3 -4.115 -3.932 0.315 1.00 0.00 N ATOM 77 C8 DA A 3 -2.953 -4.503 -0.067 1.00 0.00 C ATOM 78 N7 DA A 3 -1.857 -3.927 0.284 1.00 0.00 N ATOM 79 C5 DA A 3 -2.335 -2.820 0.989 1.00 0.00 C ATOM 80 C6 DA A 3 -1.690 -1.769 1.644 1.00 0.00 C ATOM 81 N6 DA A 3 -0.369 -1.672 1.721 1.00 0.00 N ATOM 82 N1 DA A 3 -2.459 -0.837 2.235 1.00 0.00 N ATOM 83 C2 DA A 3 -3.792 -0.938 2.184 1.00 0.00 C ATOM 84 N3 DA A 3 -4.506 -1.895 1.593 1.00 0.00 N ATOM 85 C4 DA A 3 -3.711 -2.811 1.011 1.00 0.00 C ATOM 0 H5' DA A 3 -5.814 -8.428 0.659 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.646 -8.535 -0.880 1.00 0.00 H new ATOM 0 H4' DA A 3 -7.487 -6.689 0.411 1.00 0.00 H new ATOM 0 H3' DA A 3 -6.505 -6.426 -2.269 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.905 -4.793 -1.905 1.00 0.00 H new ATOM 0 H2'' DA A 3 -6.290 -3.730 -1.749 1.00 0.00 H new ATOM 0 H1' DA A 3 -6.149 -3.662 0.565 1.00 0.00 H new ATOM 0 H8 DA A 3 -2.943 -5.413 -0.648 1.00 0.00 H new ATOM 0 H61 DA A 3 0.057 -0.885 2.211 1.00 0.00 H new ATOM 0 H62 DA A 3 0.221 -2.384 1.291 1.00 0.00 H new ATOM 0 H2 DA A 3 -4.352 -0.157 2.677 1.00 0.00 H new ATOM 97 P DC A 4 -8.589 -4.509 -2.827 1.00 0.00 P ATOM 98 OP1 DC A 4 -10.061 -4.632 -2.937 1.00 0.00 O ATOM 99 OP2 DC A 4 -7.733 -4.843 -3.988 1.00 0.00 O ATOM 100 O5' DC A 4 -8.233 -2.999 -2.362 1.00 0.00 O ATOM 101 C5' DC A 4 -9.061 -2.305 -1.412 1.00 0.00 C ATOM 102 C4' DC A 4 -8.594 -0.862 -1.169 1.00 0.00 C ATOM 103 O4' DC A 4 -7.266 -0.824 -0.573 1.00 0.00 O ATOM 104 C3' DC A 4 -8.532 -0.063 -2.475 1.00 0.00 C ATOM 105 O3' DC A 4 -9.356 1.120 -2.411 1.00 0.00 O ATOM 106 C2' DC A 4 -7.094 0.304 -2.620 1.00 0.00 C ATOM 107 C1' DC A 4 -6.492 0.184 -1.249 1.00 0.00 C ATOM 108 N1 DC A 4 -5.049 -0.169 -1.303 1.00 0.00 N ATOM 109 C2 DC A 4 -4.161 0.663 -0.633 1.00 0.00 C ATOM 110 O2 DC A 4 -4.569 1.650 -0.028 1.00 0.00 O ATOM 111 N3 DC A 4 -2.840 0.356 -0.666 1.00 0.00 N ATOM 112 C4 DC A 4 -2.396 -0.713 -1.323 1.00 0.00 C ATOM 113 N4 DC A 4 -1.092 -0.966 -1.337 1.00 0.00 N ATOM 114 C5 DC A 4 -3.297 -1.576 -2.015 1.00 0.00 C ATOM 115 C6 DC A 4 -4.607 -1.270 -1.981 1.00 0.00 C ATOM 0 H5' DC A 4 -9.058 -2.848 -0.467 1.00 0.00 H new ATOM 0 H5'' DC A 4 -10.090 -2.295 -1.771 1.00 0.00 H new ATOM 0 H4' DC A 4 -9.325 -0.420 -0.491 1.00 0.00 H new ATOM 0 H3' DC A 4 -8.906 -0.639 -3.321 1.00 0.00 H new ATOM 0 H2' DC A 4 -6.592 -0.359 -3.325 1.00 0.00 H new ATOM 0 H2'' DC A 4 -6.988 1.318 -3.005 1.00 0.00 H new ATOM 0 H1' DC A 4 -6.528 1.135 -0.718 1.00 0.00 H new ATOM 0 H41 DC A 4 -0.736 -1.781 -1.836 1.00 0.00 H new ATOM 0 H42 DC A 4 -0.447 -0.345 -0.849 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.940 -2.445 -2.548 1.00 0.00 H new ATOM 0 H6 DC A 4 -5.317 -1.901 -2.495 1.00 0.00 H new HETATM 127 N1 U5P A 5 -3.673 3.256 -2.942 1.00 0.00 N HETATM 128 C2 U5P A 5 -2.347 3.078 -2.598 1.00 0.00 C HETATM 129 N3 U5P A 5 -1.741 1.941 -3.087 1.00 0.00 N HETATM 130 C4 U5P A 5 -2.330 0.976 -3.873 1.00 0.00 C HETATM 131 C5 U5P A 5 -3.712 1.239 -4.189 1.00 0.00 C HETATM 132 C6 U5P A 5 -4.332 2.350 -3.725 1.00 0.00 C HETATM 133 O2 U5P A 5 -1.737 3.878 -1.896 1.00 0.00 O HETATM 134 O4 U5P A 5 -1.693 -0.009 -4.233 1.00 0.00 O HETATM 135 C1' U5P A 5 -4.368 4.454 -2.420 1.00 0.00 C HETATM 136 C2' U5P A 5 -4.715 5.426 -3.543 1.00 0.00 C HETATM 137 O2' U5P A 5 -4.272 6.753 -3.217 1.00 0.00 O HETATM 138 C3' U5P A 5 -6.213 5.375 -3.658 1.00 0.00 C HETATM 139 C4' U5P A 5 -6.672 4.913 -2.292 1.00 0.00 C HETATM 140 O3' U5P A 5 -6.761 6.657 -3.997 1.00 0.00 O HETATM 141 O4' U5P A 5 -5.613 4.086 -1.769 1.00 0.00 O HETATM 142 C5' U5P A 5 -8.015 4.172 -2.359 1.00 0.00 C HETATM 143 O5' U5P A 5 -7.991 3.071 -3.282 1.00 0.00 O HETATM 144 P U5P A 5 -9.337 2.226 -3.598 1.00 0.00 P HETATM 145 O1P U5P A 5 -10.501 3.120 -3.416 1.00 0.00 O HETATM 146 O2P U5P A 5 -9.143 1.522 -4.887 1.00 0.00 O HETATM 0 HO3' U5P A 5 -7.736 6.588 -4.065 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -8.273 3.804 -1.366 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -8.798 4.871 -2.653 1.00 0.00 H new HETATM 0 HN3 U5P A 5 -0.761 1.801 -2.843 1.00 0.00 H new HETATM 0 H6 U5P A 5 -5.377 2.525 -3.981 1.00 0.00 H new HETATM 0 H5 U5P A 5 -4.265 0.534 -4.810 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.856 5.761 -1.633 1.00 0.00 H new HETATM 0 H3' U5P A 5 -6.546 4.709 -4.454 1.00 0.00 H new HETATM 0 H2' U5P A 5 -4.228 5.159 -4.481 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.687 4.925 -1.711 1.00 0.00 H new HETATM 157 N1 U5P A 6 0.036 4.328 -5.231 1.00 0.00 N HETATM 158 C2 U5P A 6 0.722 3.131 -5.336 1.00 0.00 C HETATM 159 N3 U5P A 6 0.035 2.091 -5.917 1.00 0.00 N HETATM 160 C4 U5P A 6 -1.257 2.131 -6.397 1.00 0.00 C HETATM 161 C5 U5P A 6 -1.902 3.415 -6.248 1.00 0.00 C HETATM 162 C6 U5P A 6 -1.249 4.458 -5.678 1.00 0.00 C HETATM 163 O2 U5P A 6 1.874 2.996 -4.941 1.00 0.00 O HETATM 164 O4 U5P A 6 -1.767 1.134 -6.894 1.00 0.00 O HETATM 165 C1' U5P A 6 0.737 5.481 -4.642 1.00 0.00 C HETATM 166 C2' U5P A 6 0.773 6.622 -5.633 1.00 0.00 C HETATM 167 O2' U5P A 6 1.992 6.607 -6.384 1.00 0.00 O HETATM 168 C3' U5P A 6 0.643 7.863 -4.810 1.00 0.00 C HETATM 169 C4' U5P A 6 0.028 7.411 -3.492 1.00 0.00 C HETATM 170 O3' U5P A 6 1.919 8.482 -4.606 1.00 0.00 O HETATM 171 O4' U5P A 6 0.038 5.964 -3.476 1.00 0.00 O HETATM 172 C5' U5P A 6 -1.394 7.947 -3.342 1.00 0.00 C HETATM 173 O5' U5P A 6 -2.236 7.552 -4.437 1.00 0.00 O HETATM 174 P U5P A 6 -3.828 7.791 -4.365 1.00 0.00 P HETATM 175 O1P U5P A 6 -4.071 9.164 -3.870 1.00 0.00 O HETATM 176 O2P U5P A 6 -4.428 7.354 -5.649 1.00 0.00 O HETATM 0 HO3' U5P A 6 1.807 9.292 -4.066 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -1.821 7.585 -2.407 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -1.367 9.035 -3.280 1.00 0.00 H new HETATM 0 HN3 U5P A 6 0.530 1.203 -6.001 1.00 0.00 H new HETATM 0 H6 U5P A 6 -1.758 5.416 -5.575 1.00 0.00 H new HETATM 0 H5 U5P A 6 -2.926 3.547 -6.598 1.00 0.00 H new HETATM 0 H4' U5P A 6 0.605 7.801 -2.654 1.00 0.00 H new HETATM 0 H3' U5P A 6 0.024 8.613 -5.303 1.00 0.00 H new HETATM 0 H2' U5P A 6 -0.027 6.552 -6.370 1.00 0.00 H new HETATM 0 H1' U5P A 6 1.742 5.152 -4.377 1.00 0.00 H new HETATM 187 P C5P A 7 2.122 5.670 -7.690 1.00 0.00 P HETATM 188 O1P C5P A 7 2.659 6.497 -8.791 1.00 0.00 O HETATM 189 O2P C5P A 7 0.846 4.940 -7.877 1.00 0.00 O HETATM 190 O5' C5P A 7 3.251 4.602 -7.263 1.00 0.00 O HETATM 191 C5' C5P A 7 3.779 3.687 -8.234 1.00 0.00 C HETATM 192 C4' C5P A 7 5.295 3.550 -8.115 1.00 0.00 C HETATM 193 O4' C5P A 7 5.900 4.857 -8.022 1.00 0.00 O HETATM 194 C3' C5P A 7 5.706 2.757 -6.878 1.00 0.00 C HETATM 195 O3' C5P A 7 6.560 1.658 -7.232 1.00 0.00 O HETATM 196 C2' C5P A 7 6.412 3.735 -5.981 1.00 0.00 C HETATM 197 O2' C5P A 7 7.613 3.158 -5.429 1.00 0.00 O HETATM 198 C1' C5P A 7 6.771 4.909 -6.873 1.00 0.00 C HETATM 199 N1 C5P A 7 6.548 6.172 -6.147 1.00 0.00 N HETATM 200 C2 C5P A 7 7.631 7.015 -5.929 1.00 0.00 C HETATM 201 N3 C5P A 7 7.411 8.179 -5.256 1.00 0.00 N HETATM 202 C4 C5P A 7 6.187 8.499 -4.819 1.00 0.00 C HETATM 203 C5 C5P A 7 5.071 7.633 -5.043 1.00 0.00 C HETATM 204 C6 C5P A 7 5.296 6.489 -5.706 1.00 0.00 C HETATM 205 O2 C5P A 7 8.750 6.711 -6.338 1.00 0.00 O HETATM 206 N4 C5P A 7 6.009 9.644 -4.167 1.00 0.00 N HETATM 0 HO3' C5P A 7 7.161 1.931 -7.957 1.00 0.00 H new HETATM 0 HN42 C5P A 7 5.081 9.899 -3.829 1.00 0.00 H new HETATM 0 HN41 C5P A 7 6.800 10.267 -4.005 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 3.314 2.710 -8.104 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 3.522 4.031 -9.236 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 5.783 4.026 -5.140 1.00 0.00 H new HETATM 0 H6 C5P A 7 4.469 5.804 -5.895 1.00 0.00 H new HETATM 0 H5 C5P A 7 4.074 7.893 -4.688 1.00 0.00 H new HETATM 0 H4' C5P A 7 5.635 3.019 -9.005 1.00 0.00 H new HETATM 0 H3' C5P A 7 4.843 2.317 -6.378 1.00 0.00 H new HETATM 0 H1' C5P A 7 7.818 4.859 -7.173 1.00 0.00 H new HETATM 218 P 5GP A 8 7.568 2.010 -4.296 1.00 0.00 P HETATM 219 O2P 5GP A 8 6.267 1.307 -4.381 1.00 0.00 O HETATM 220 O3P 5GP A 8 8.828 1.235 -4.367 1.00 0.00 O HETATM 221 O5' 5GP A 8 7.580 2.873 -2.935 1.00 0.00 O HETATM 222 C5' 5GP A 8 8.508 3.966 -2.757 1.00 0.00 C HETATM 223 C4' 5GP A 8 7.958 5.037 -1.833 1.00 0.00 C HETATM 224 O4' 5GP A 8 6.699 5.542 -2.332 1.00 0.00 O HETATM 225 C3' 5GP A 8 7.693 4.465 -0.452 1.00 0.00 C HETATM 226 O3' 5GP A 8 8.802 4.691 0.427 1.00 0.00 O HETATM 227 C2' 5GP A 8 6.468 5.188 0.015 1.00 0.00 C HETATM 228 O2' 5GP A 8 6.822 6.390 0.729 1.00 0.00 O HETATM 229 C1' 5GP A 8 5.723 5.526 -1.263 1.00 0.00 C HETATM 230 N9 5GP A 8 4.689 4.519 -1.561 1.00 0.00 N HETATM 231 C8 5GP A 8 4.834 3.272 -2.066 1.00 0.00 C HETATM 232 N7 5GP A 8 3.767 2.591 -2.302 1.00 0.00 N HETATM 233 C5 5GP A 8 2.768 3.486 -1.906 1.00 0.00 C HETATM 234 C6 5GP A 8 1.358 3.340 -1.916 1.00 0.00 C HETATM 235 O6 5GP A 8 0.689 2.378 -2.288 1.00 0.00 O HETATM 236 N1 5GP A 8 0.729 4.472 -1.434 1.00 0.00 N HETATM 237 C2 5GP A 8 1.365 5.608 -0.995 1.00 0.00 C HETATM 238 N2 5GP A 8 0.587 6.584 -0.555 1.00 0.00 N HETATM 239 N3 5GP A 8 2.687 5.761 -0.982 1.00 0.00 N HETATM 240 C4 5GP A 8 3.328 4.670 -1.447 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.729 5.584 0.823 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.001 7.452 -0.216 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.426 6.468 -0.555 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 9.444 3.583 -2.351 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 8.738 4.407 -3.727 1.00 0.00 H new HETATM 0 HN1 5GP A 8 -0.290 4.464 -1.401 1.00 0.00 H new HETATM 0 H8 5GP A 8 5.822 2.857 -2.266 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.700 5.834 -1.785 1.00 0.00 H new HETATM 0 H3' 5GP A 8 7.555 3.384 -0.469 1.00 0.00 H new HETATM 0 H2' 5GP A 8 5.870 4.590 0.703 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.224 6.489 -1.157 1.00 0.00 H new ATOM 252 P DG A 9 6.586 6.520 2.320 1.00 0.00 P ATOM 253 OP1 DG A 9 7.221 7.775 2.789 1.00 0.00 O ATOM 254 OP2 DG A 9 6.950 5.231 2.950 1.00 0.00 O ATOM 255 O5' DG A 9 4.985 6.690 2.422 1.00 0.00 O ATOM 256 C5' DG A 9 4.353 7.968 2.194 1.00 0.00 C ATOM 257 C4' DG A 9 2.862 7.954 2.506 1.00 0.00 C ATOM 258 O4' DG A 9 2.151 7.044 1.626 1.00 0.00 O ATOM 259 C3' DG A 9 2.608 7.498 3.940 1.00 0.00 C ATOM 260 O3' DG A 9 1.750 8.428 4.626 1.00 0.00 O ATOM 261 C2' DG A 9 1.962 6.162 3.801 1.00 0.00 C ATOM 262 C1' DG A 9 1.383 6.114 2.420 1.00 0.00 C ATOM 263 N9 DG A 9 1.479 4.760 1.873 1.00 0.00 N ATOM 264 C8 DG A 9 2.576 4.001 1.676 1.00 0.00 C ATOM 265 N7 DG A 9 2.408 2.826 1.174 1.00 0.00 N ATOM 266 C5 DG A 9 1.017 2.785 1.012 1.00 0.00 C ATOM 267 C6 DG A 9 0.186 1.755 0.501 1.00 0.00 C ATOM 268 O6 DG A 9 0.510 0.653 0.075 1.00 0.00 O ATOM 269 N1 DG A 9 -1.147 2.126 0.516 1.00 0.00 N ATOM 270 C2 DG A 9 -1.632 3.332 0.961 1.00 0.00 C ATOM 271 N2 DG A 9 -2.942 3.501 0.895 1.00 0.00 N ATOM 272 N3 DG A 9 -0.866 4.307 1.441 1.00 0.00 N ATOM 273 C4 DG A 9 0.443 3.971 1.440 1.00 0.00 C ATOM 0 H5' DG A 9 4.499 8.260 1.154 1.00 0.00 H new ATOM 0 H5'' DG A 9 4.841 8.724 2.809 1.00 0.00 H new ATOM 0 H4' DG A 9 2.503 8.973 2.363 1.00 0.00 H new ATOM 0 H3' DG A 9 3.523 7.446 4.530 1.00 0.00 H new ATOM 0 H2' DG A 9 2.688 5.362 3.946 1.00 0.00 H new ATOM 0 H2'' DG A 9 1.185 6.026 4.553 1.00 0.00 H new ATOM 0 H1' DG A 9 0.326 6.382 2.422 1.00 0.00 H new ATOM 0 H8 DG A 9 3.561 4.365 1.930 1.00 0.00 H new ATOM 0 H1 DG A 9 -1.825 1.448 0.168 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.360 4.376 1.211 1.00 0.00 H new ATOM 0 H22 DG A 9 -3.534 2.756 0.528 1.00 0.00 H new ATOM 285 P DT A 10 1.132 8.097 6.083 1.00 0.00 P ATOM 286 OP1 DT A 10 0.657 9.366 6.680 1.00 0.00 O ATOM 287 OP2 DT A 10 2.099 7.254 6.822 1.00 0.00 O ATOM 288 O5' DT A 10 -0.159 7.186 5.730 1.00 0.00 O ATOM 289 C5' DT A 10 -1.365 7.784 5.226 1.00 0.00 C ATOM 290 C4' DT A 10 -2.549 6.808 5.224 1.00 0.00 C ATOM 291 O4' DT A 10 -2.316 5.680 4.335 1.00 0.00 O ATOM 292 C3' DT A 10 -2.818 6.244 6.619 1.00 0.00 C ATOM 293 O3' DT A 10 -4.168 6.537 7.040 1.00 0.00 O ATOM 294 C2' DT A 10 -2.594 4.771 6.483 1.00 0.00 C ATOM 295 C1' DT A 10 -2.688 4.461 5.015 1.00 0.00 C ATOM 296 N1 DT A 10 -1.795 3.343 4.623 1.00 0.00 N ATOM 297 C2 DT A 10 -2.363 2.248 3.990 1.00 0.00 C ATOM 298 O2 DT A 10 -3.568 2.154 3.789 1.00 0.00 O ATOM 299 N3 DT A 10 -1.494 1.256 3.599 1.00 0.00 N ATOM 300 C4 DT A 10 -0.131 1.249 3.777 1.00 0.00 C ATOM 301 O4 DT A 10 0.540 0.306 3.372 1.00 0.00 O ATOM 302 C5 DT A 10 0.381 2.423 4.450 1.00 0.00 C ATOM 303 C7 DT A 10 1.879 2.549 4.717 1.00 0.00 C ATOM 304 C6 DT A 10 -0.447 3.411 4.845 1.00 0.00 C ATOM 0 H5' DT A 10 -1.192 8.142 4.211 1.00 0.00 H new ATOM 0 H5'' DT A 10 -1.616 8.654 5.833 1.00 0.00 H new ATOM 0 H4' DT A 10 -3.407 7.385 4.880 1.00 0.00 H new ATOM 0 H3' DT A 10 -2.170 6.683 7.377 1.00 0.00 H new ATOM 0 H2' DT A 10 -1.618 4.489 6.878 1.00 0.00 H new ATOM 0 H2'' DT A 10 -3.340 4.211 7.047 1.00 0.00 H new ATOM 0 H1' DT A 10 -3.695 4.137 4.751 1.00 0.00 H new ATOM 0 H3 DT A 10 -1.901 0.446 3.131 1.00 0.00 H new ATOM 0 H71 DT A 10 2.162 3.602 4.715 1.00 0.00 H new ATOM 0 H72 DT A 10 2.114 2.112 5.688 1.00 0.00 H new ATOM 0 H73 DT A 10 2.433 2.023 3.939 1.00 0.00 H new ATOM 0 H6 DT A 10 -0.037 4.275 5.347 1.00 0.00 H new ATOM 317 P DC A 11 -4.783 5.927 8.409 1.00 0.00 P ATOM 318 OP1 DC A 11 -5.935 6.765 8.811 1.00 0.00 O ATOM 319 OP2 DC A 11 -3.672 5.695 9.360 1.00 0.00 O ATOM 320 O5' DC A 11 -5.345 4.487 7.929 1.00 0.00 O ATOM 321 C5' DC A 11 -6.501 4.403 7.078 1.00 0.00 C ATOM 322 C4' DC A 11 -6.899 2.956 6.762 1.00 0.00 C ATOM 323 O4' DC A 11 -5.851 2.257 6.039 1.00 0.00 O ATOM 324 C3' DC A 11 -7.185 2.158 8.034 1.00 0.00 C ATOM 325 O3' DC A 11 -8.523 1.623 8.017 1.00 0.00 O ATOM 326 C2' DC A 11 -6.171 1.063 8.035 1.00 0.00 C ATOM 327 C1' DC A 11 -5.671 0.953 6.626 1.00 0.00 C ATOM 328 N1 DC A 11 -4.252 0.537 6.581 1.00 0.00 N ATOM 329 C2 DC A 11 -3.933 -0.593 5.843 1.00 0.00 C ATOM 330 O2 DC A 11 -4.811 -1.236 5.277 1.00 0.00 O ATOM 331 N3 DC A 11 -2.630 -0.970 5.774 1.00 0.00 N ATOM 332 C4 DC A 11 -1.678 -0.280 6.397 1.00 0.00 C ATOM 333 N4 DC A 11 -0.417 -0.690 6.298 1.00 0.00 N ATOM 334 C5 DC A 11 -1.995 0.885 7.162 1.00 0.00 C ATOM 335 C6 DC A 11 -3.290 1.255 7.228 1.00 0.00 C ATOM 0 H5' DC A 11 -6.301 4.932 6.146 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.338 4.909 7.558 1.00 0.00 H new ATOM 0 H4' DC A 11 -7.798 3.024 6.150 1.00 0.00 H new ATOM 0 H3' DC A 11 -7.119 2.777 8.929 1.00 0.00 H new ATOM 0 H2' DC A 11 -5.355 1.289 8.721 1.00 0.00 H new ATOM 0 H2'' DC A 11 -6.614 0.123 8.365 1.00 0.00 H new ATOM 0 H1' DC A 11 -6.220 0.189 6.075 1.00 0.00 H new ATOM 0 H41 DC A 11 0.326 -0.173 6.769 1.00 0.00 H new ATOM 0 H42 DC A 11 -0.192 -1.521 5.751 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.225 1.448 7.669 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.568 2.129 7.799 1.00 0.00 H new ATOM 347 P DC A 12 -9.024 0.565 9.136 1.00 0.00 P ATOM 348 OP1 DC A 12 -10.501 0.498 9.080 1.00 0.00 O ATOM 349 OP2 DC A 12 -8.350 0.884 10.415 1.00 0.00 O ATOM 350 O5' DC A 12 -8.430 -0.841 8.594 1.00 0.00 O ATOM 351 C5' DC A 12 -9.103 -1.566 7.554 1.00 0.00 C ATOM 352 C4' DC A 12 -8.601 -3.008 7.426 1.00 0.00 C ATOM 353 O4' DC A 12 -7.210 -3.056 7.013 1.00 0.00 O ATOM 354 C3' DC A 12 -8.713 -3.766 8.751 1.00 0.00 C ATOM 355 O3' DC A 12 -9.521 -4.941 8.605 1.00 0.00 O ATOM 356 C2' DC A 12 -7.310 -4.124 9.111 1.00 0.00 C ATOM 357 C1' DC A 12 -6.510 -4.011 7.838 1.00 0.00 C ATOM 358 N1 DC A 12 -5.115 -3.568 8.087 1.00 0.00 N ATOM 359 C2 DC A 12 -4.096 -4.326 7.530 1.00 0.00 C ATOM 360 O2 DC A 12 -4.355 -5.336 6.884 1.00 0.00 O ATOM 361 N3 DC A 12 -2.814 -3.924 7.722 1.00 0.00 N ATOM 362 C4 DC A 12 -2.532 -2.830 8.427 1.00 0.00 C ATOM 363 N4 DC A 12 -1.261 -2.478 8.588 1.00 0.00 N ATOM 364 C5 DC A 12 -3.572 -2.042 9.008 1.00 0.00 C ATOM 365 C6 DC A 12 -4.844 -2.445 8.815 1.00 0.00 C ATOM 0 H5' DC A 12 -8.961 -1.049 6.605 1.00 0.00 H new ATOM 0 H5'' DC A 12 -10.174 -1.574 7.755 1.00 0.00 H new ATOM 0 H4' DC A 12 -9.233 -3.476 6.672 1.00 0.00 H new ATOM 0 H3' DC A 12 -9.192 -3.165 9.524 1.00 0.00 H new ATOM 0 H2' DC A 12 -6.921 -3.453 9.877 1.00 0.00 H new ATOM 0 H2'' DC A 12 -7.257 -5.135 9.516 1.00 0.00 H new ATOM 0 HO3' DC A 12 -9.576 -5.409 9.464 1.00 0.00 H new ATOM 0 H1' DC A 12 -6.426 -4.984 7.354 1.00 0.00 H new ATOM 0 H41 DC A 12 -1.027 -1.643 9.125 1.00 0.00 H new ATOM 0 H42 DC A 12 -0.519 -3.043 8.175 1.00 0.00 H new ATOM 0 H5 DC A 12 -3.347 -1.155 9.582 1.00 0.00 H new ATOM 0 H6 DC A 12 -5.656 -1.874 9.240 1.00 0.00 H new TER 378 DC A 12