USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 148 hydrogens (36 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 NoAdj-H: A 7 AQCHN2A : A 7 AQC N2' : A 6 2AU C2' :(H bumps) USER MOD NoAdj-H: B 7 AQCHN2A : B 7 AQC N2' : B 6 2AU C2' :(H bumps) USER MOD Single : A 1 DA O5' : rot -20:sc= 0.222 USER MOD Single : A 6 2AU O3' : rot 39:sc= 0 USER MOD Single : B 1 DA O5' : rot -21:sc= 0.243 USER MOD Single : B 6 2AU O3' : rot 39:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.681 13.575 -5.994 1.00 0.00 O ATOM 2 C5' DA A 1 -0.116 12.490 -5.511 1.00 0.00 C ATOM 3 C4' DA A 1 -0.210 11.387 -6.538 1.00 0.00 C ATOM 4 O4' DA A 1 1.070 11.250 -7.201 1.00 0.00 O ATOM 5 C3' DA A 1 -0.528 10.006 -5.970 1.00 0.00 C ATOM 6 O3' DA A 1 -1.940 9.772 -6.028 1.00 0.00 O ATOM 7 C2' DA A 1 0.227 9.074 -6.901 1.00 0.00 C ATOM 8 C1' DA A 1 1.466 9.887 -7.222 1.00 0.00 C ATOM 9 N9 DA A 1 2.569 9.728 -6.272 1.00 0.00 N ATOM 10 C8 DA A 1 2.778 10.444 -5.119 1.00 0.00 C ATOM 11 N7 DA A 1 3.853 10.088 -4.461 1.00 0.00 N ATOM 12 C5 DA A 1 4.390 9.065 -5.229 1.00 0.00 C ATOM 13 C6 DA A 1 5.535 8.266 -5.069 1.00 0.00 C ATOM 14 N6 DA A 1 6.379 8.376 -4.042 1.00 0.00 N ATOM 15 N1 DA A 1 5.787 7.335 -6.012 1.00 0.00 N ATOM 16 C2 DA A 1 4.940 7.221 -7.040 1.00 0.00 C ATOM 17 N3 DA A 1 3.832 7.914 -7.304 1.00 0.00 N ATOM 18 C4 DA A 1 3.610 8.832 -6.348 1.00 0.00 C ATOM 0 H5' DA A 1 -1.115 12.849 -5.266 1.00 0.00 H new ATOM 0 H5'' DA A 1 0.317 12.098 -4.590 1.00 0.00 H new ATOM 0 H4' DA A 1 -1.027 11.684 -7.196 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.243 9.876 -4.926 1.00 0.00 H new ATOM 0 H2' DA A 1 0.473 8.128 -6.420 1.00 0.00 H new ATOM 0 H2'' DA A 1 -0.349 8.836 -7.796 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.248 13.262 -6.729 1.00 0.00 H new ATOM 0 H1' DA A 1 1.843 9.540 -8.184 1.00 0.00 H new ATOM 0 H8 DA A 1 2.116 11.229 -4.785 1.00 0.00 H new ATOM 0 H61 DA A 1 7.194 7.765 -3.984 1.00 0.00 H new ATOM 0 H62 DA A 1 6.210 9.071 -3.315 1.00 0.00 H new ATOM 0 H2 DA A 1 5.189 6.457 -7.761 1.00 0.00 H new ATOM 31 P DC A 2 -2.515 8.287 -5.809 1.00 0.00 P ATOM 32 OP1 DC A 2 -3.970 8.319 -6.111 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.054 7.818 -4.478 1.00 0.00 O ATOM 34 O5' DC A 2 -1.779 7.423 -6.929 1.00 0.00 O ATOM 35 C5' DC A 2 -2.513 6.524 -7.756 1.00 0.00 C ATOM 36 C4' DC A 2 -2.445 5.123 -7.196 1.00 0.00 C ATOM 37 O4' DC A 2 -1.300 4.983 -6.336 1.00 0.00 O ATOM 38 C3' DC A 2 -3.641 4.731 -6.333 1.00 0.00 C ATOM 39 O3' DC A 2 -4.581 3.978 -7.108 1.00 0.00 O ATOM 40 C2' DC A 2 -3.037 3.878 -5.220 1.00 0.00 C ATOM 41 C1' DC A 2 -1.537 3.877 -5.495 1.00 0.00 C ATOM 42 N1 DC A 2 -0.667 4.021 -4.314 1.00 0.00 N ATOM 43 C2 DC A 2 0.419 3.150 -4.169 1.00 0.00 C ATOM 44 O2 DC A 2 0.604 2.269 -5.022 1.00 0.00 O ATOM 45 N3 DC A 2 1.240 3.289 -3.104 1.00 0.00 N ATOM 46 C4 DC A 2 1.004 4.242 -2.201 1.00 0.00 C ATOM 47 N4 DC A 2 1.846 4.349 -1.173 1.00 0.00 N ATOM 48 C5 DC A 2 -0.103 5.132 -2.313 1.00 0.00 C ATOM 49 C6 DC A 2 -0.902 4.991 -3.378 1.00 0.00 C ATOM 0 H5' DC A 2 -2.109 6.538 -8.768 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.552 6.846 -7.823 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.408 4.484 -8.079 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.184 5.591 -5.941 1.00 0.00 H new ATOM 0 H2' DC A 2 -3.258 4.296 -4.238 1.00 0.00 H new ATOM 0 H2'' DC A 2 -3.442 2.866 -5.234 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.289 2.904 -5.919 1.00 0.00 H new ATOM 0 H41 DC A 2 1.696 5.066 -0.464 1.00 0.00 H new ATOM 0 H42 DC A 2 2.640 3.713 -1.096 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.290 5.891 -1.568 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.746 5.654 -3.500 1.00 0.00 H new ATOM 61 P DG A 3 -5.937 3.443 -6.427 1.00 0.00 P ATOM 62 OP1 DG A 3 -7.020 3.585 -7.430 1.00 0.00 O ATOM 63 OP2 DG A 3 -6.087 4.079 -5.096 1.00 0.00 O ATOM 64 O5' DG A 3 -5.664 1.888 -6.211 1.00 0.00 O ATOM 65 C5' DG A 3 -4.855 1.152 -7.130 1.00 0.00 C ATOM 66 C4' DG A 3 -4.533 -0.214 -6.570 1.00 0.00 C ATOM 67 O4' DG A 3 -3.357 -0.102 -5.730 1.00 0.00 O ATOM 68 C3' DG A 3 -5.628 -0.834 -5.700 1.00 0.00 C ATOM 69 O3' DG A 3 -5.756 -2.231 -5.994 1.00 0.00 O ATOM 70 C2' DG A 3 -5.135 -0.617 -4.280 1.00 0.00 C ATOM 71 C1' DG A 3 -3.626 -0.575 -4.422 1.00 0.00 C ATOM 72 N9 DG A 3 -2.947 0.310 -3.481 1.00 0.00 N ATOM 73 C8 DG A 3 -3.403 1.506 -2.984 1.00 0.00 C ATOM 74 N7 DG A 3 -2.567 2.074 -2.159 1.00 0.00 N ATOM 75 C5 DG A 3 -1.492 1.196 -2.105 1.00 0.00 C ATOM 76 C6 DG A 3 -0.278 1.269 -1.373 1.00 0.00 C ATOM 77 O6 DG A 3 0.102 2.153 -0.598 1.00 0.00 O ATOM 78 N1 DG A 3 0.532 0.164 -1.613 1.00 0.00 N ATOM 79 C2 DG A 3 0.214 -0.878 -2.446 1.00 0.00 C ATOM 80 N2 DG A 3 1.123 -1.852 -2.544 1.00 0.00 N ATOM 81 N3 DG A 3 -0.911 -0.960 -3.133 1.00 0.00 N ATOM 82 C4 DG A 3 -1.712 0.103 -2.916 1.00 0.00 C ATOM 0 H5' DG A 3 -3.932 1.697 -7.330 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.376 1.048 -8.082 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.402 -0.858 -7.439 1.00 0.00 H new ATOM 0 H3' DG A 3 -6.611 -0.393 -5.867 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.523 0.311 -3.860 1.00 0.00 H new ATOM 0 H2'' DG A 3 -5.452 -1.424 -3.619 1.00 0.00 H new ATOM 0 H1' DG A 3 -3.252 -1.578 -4.219 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.358 1.934 -3.250 1.00 0.00 H new ATOM 0 H1 DG A 3 1.431 0.126 -1.133 1.00 0.00 H new ATOM 0 H21 DG A 3 0.947 -2.655 -3.147 1.00 0.00 H new ATOM 0 H22 DG A 3 1.993 -1.792 -2.015 1.00 0.00 H new ATOM 94 P DC A 4 -6.710 -3.159 -5.088 1.00 0.00 P ATOM 95 OP1 DC A 4 -7.343 -4.152 -5.989 1.00 0.00 O ATOM 96 OP2 DC A 4 -7.566 -2.293 -4.241 1.00 0.00 O ATOM 97 O5' DC A 4 -5.693 -3.935 -4.139 1.00 0.00 O ATOM 98 C5' DC A 4 -4.344 -4.167 -4.549 1.00 0.00 C ATOM 99 C4' DC A 4 -3.810 -5.432 -3.919 1.00 0.00 C ATOM 100 O4' DC A 4 -2.767 -5.077 -2.988 1.00 0.00 O ATOM 101 C3' DC A 4 -4.820 -6.248 -3.113 1.00 0.00 C ATOM 102 O3' DC A 4 -4.533 -7.648 -3.215 1.00 0.00 O ATOM 103 C2' DC A 4 -4.621 -5.769 -1.683 1.00 0.00 C ATOM 104 C1' DC A 4 -3.293 -5.017 -1.674 1.00 0.00 C ATOM 105 N1 DC A 4 -3.393 -3.599 -1.290 1.00 0.00 N ATOM 106 C2 DC A 4 -2.351 -3.024 -0.557 1.00 0.00 C ATOM 107 O2 DC A 4 -1.373 -3.723 -0.254 1.00 0.00 O ATOM 108 N3 DC A 4 -2.434 -1.724 -0.196 1.00 0.00 N ATOM 109 C4 DC A 4 -3.502 -1.004 -0.543 1.00 0.00 C ATOM 110 N4 DC A 4 -3.538 0.276 -0.177 1.00 0.00 N ATOM 111 C5 DC A 4 -4.580 -1.564 -1.287 1.00 0.00 C ATOM 112 C6 DC A 4 -4.483 -2.852 -1.638 1.00 0.00 C ATOM 0 H5' DC A 4 -3.720 -3.320 -4.263 1.00 0.00 H new ATOM 0 H5'' DC A 4 -4.296 -4.246 -5.635 1.00 0.00 H new ATOM 0 H4' DC A 4 -3.486 -6.044 -4.761 1.00 0.00 H new ATOM 0 H3' DC A 4 -5.843 -6.116 -3.465 1.00 0.00 H new ATOM 0 H2' DC A 4 -5.439 -5.120 -1.371 1.00 0.00 H new ATOM 0 H2'' DC A 4 -4.599 -6.609 -0.989 1.00 0.00 H new ATOM 0 H1' DC A 4 -2.661 -5.494 -0.924 1.00 0.00 H new ATOM 0 H41 DC A 4 -4.340 0.855 -0.426 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.764 0.677 0.352 1.00 0.00 H new ATOM 0 H5 DC A 4 -5.442 -0.972 -1.557 1.00 0.00 H new ATOM 0 H6 DC A 4 -5.280 -3.309 -2.206 1.00 0.00 H new ATOM 124 P DG A 5 -5.435 -8.712 -2.411 1.00 0.00 P ATOM 125 OP1 DG A 5 -5.265 -10.029 -3.072 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.797 -8.148 -2.249 1.00 0.00 O ATOM 127 O5' DG A 5 -4.753 -8.787 -0.972 1.00 0.00 O ATOM 128 C5' DG A 5 -3.351 -9.024 -0.836 1.00 0.00 C ATOM 129 C4' DG A 5 -3.005 -9.358 0.596 1.00 0.00 C ATOM 130 O4' DG A 5 -2.594 -8.145 1.268 1.00 0.00 O ATOM 131 C3' DG A 5 -4.150 -9.946 1.419 1.00 0.00 C ATOM 132 O3' DG A 5 -3.663 -10.986 2.275 1.00 0.00 O ATOM 133 C2' DG A 5 -4.664 -8.773 2.233 1.00 0.00 C ATOM 134 C1' DG A 5 -3.503 -7.792 2.296 1.00 0.00 C ATOM 135 N9 DG A 5 -3.888 -6.400 2.092 1.00 0.00 N ATOM 136 C8 DG A 5 -4.909 -5.937 1.303 1.00 0.00 C ATOM 137 N7 DG A 5 -5.020 -4.637 1.311 1.00 0.00 N ATOM 138 C5 DG A 5 -4.010 -4.214 2.165 1.00 0.00 C ATOM 139 C6 DG A 5 -3.640 -2.907 2.577 1.00 0.00 C ATOM 140 O6 DG A 5 -4.143 -1.824 2.252 1.00 0.00 O ATOM 141 N1 DG A 5 -2.566 -2.933 3.459 1.00 0.00 N ATOM 142 C2 DG A 5 -1.922 -4.068 3.883 1.00 0.00 C ATOM 143 N2 DG A 5 -0.899 -3.881 4.726 1.00 0.00 N ATOM 144 N3 DG A 5 -2.254 -5.292 3.507 1.00 0.00 N ATOM 145 C4 DG A 5 -3.301 -5.291 2.655 1.00 0.00 C ATOM 0 H5' DG A 5 -2.795 -8.142 -1.154 1.00 0.00 H new ATOM 0 H5'' DG A 5 -3.050 -9.843 -1.489 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.225 -10.116 0.534 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.929 -10.394 0.802 1.00 0.00 H new ATOM 0 H2' DG A 5 -5.537 -8.320 1.763 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.967 -9.089 3.231 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.077 -7.859 3.297 1.00 0.00 H new ATOM 0 H8 DG A 5 -5.557 -6.584 0.731 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.231 -2.039 3.819 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.377 -4.683 5.080 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.642 -2.937 5.014 1.00 0.00 H new HETATM 157 P 2AU A 6 -4.704 -11.938 3.049 1.00 0.00 P HETATM 158 OP1 2AU A 6 -4.048 -13.249 3.275 1.00 0.00 O HETATM 159 O5' 2AU A 6 -4.888 -11.224 4.461 1.00 0.00 O HETATM 160 C5' 2AU A 6 -6.092 -10.533 4.792 1.00 0.00 C HETATM 161 C4' 2AU A 6 -5.874 -9.650 6.002 1.00 0.00 C HETATM 162 O4' 2AU A 6 -4.494 -9.789 6.445 1.00 0.00 O HETATM 163 C3' 2AU A 6 -6.087 -8.155 5.784 1.00 0.00 C HETATM 164 O3' 2AU A 6 -6.646 -7.529 6.943 1.00 0.00 O HETATM 165 C2' 2AU A 6 -4.686 -7.647 5.460 1.00 0.00 C HETATM 166 C1' 2AU A 6 -3.829 -8.547 6.345 1.00 0.00 C HETATM 167 N1 2AU A 6 -2.481 -8.784 5.809 1.00 0.00 N HETATM 168 C2 2AU A 6 -1.411 -8.225 6.482 1.00 0.00 C HETATM 169 O2 2AU A 6 -1.541 -7.549 7.488 1.00 0.00 O HETATM 170 N3 2AU A 6 -0.182 -8.485 5.932 1.00 0.00 N HETATM 171 C4 2AU A 6 0.081 -9.229 4.803 1.00 0.00 C HETATM 172 O4 2AU A 6 1.247 -9.376 4.434 1.00 0.00 O HETATM 173 C5 2AU A 6 -1.077 -9.770 4.164 1.00 0.00 C HETATM 174 C6 2AU A 6 -2.291 -9.537 4.672 1.00 0.00 C HETATM 184 OP2 2AU A 6 -5.998 -11.887 2.324 1.00 0.00 O HETATM 0 HO3' 2AU A 6 -6.246 -7.917 7.749 1.00 0.00 H new HETATM 0 H5'' 2AU A 6 -6.417 -9.928 3.945 1.00 0.00 H new HETATM 0 H6 2AU A 6 -3.161 -9.958 4.169 1.00 0.00 H new HETATM 0 H5' 2AU A 6 -6.887 -11.250 4.995 1.00 0.00 H new HETATM 0 H5 2AU A 6 -0.970 -10.373 3.262 1.00 0.00 H new HETATM 0 H4' 2AU A 6 -6.621 -9.989 6.720 1.00 0.00 H new HETATM 0 H3' 2AU A 6 -6.801 -7.931 4.992 1.00 0.00 H new HETATM 0 H3 2AU A 6 0.625 -8.084 6.411 1.00 0.00 H new HETATM 0 H1' 2AU A 6 -3.702 -8.051 7.307 1.00 0.00 H new TER 186 2AU A 6 ATOM 187 O5' DA B 1 -8.051 5.821 11.056 1.00 0.00 O ATOM 188 C5' DA B 1 -6.842 5.822 10.291 1.00 0.00 C ATOM 189 C4' DA B 1 -5.912 4.723 10.746 1.00 0.00 C ATOM 190 O4' DA B 1 -6.693 3.547 11.067 1.00 0.00 O ATOM 191 C3' DA B 1 -4.896 4.268 9.700 1.00 0.00 C ATOM 192 O3' DA B 1 -3.664 4.976 9.881 1.00 0.00 O ATOM 193 C2' DA B 1 -4.736 2.790 10.003 1.00 0.00 C ATOM 194 C1' DA B 1 -6.137 2.403 10.435 1.00 0.00 C ATOM 195 N9 DA B 1 -7.032 2.017 9.342 1.00 0.00 N ATOM 196 C8 DA B 1 -7.829 2.847 8.592 1.00 0.00 C ATOM 197 N7 DA B 1 -8.532 2.224 7.680 1.00 0.00 N ATOM 198 C5 DA B 1 -8.175 0.893 7.835 1.00 0.00 C ATOM 199 C6 DA B 1 -8.572 -0.276 7.163 1.00 0.00 C ATOM 200 N6 DA B 1 -9.451 -0.292 6.160 1.00 0.00 N ATOM 201 N1 DA B 1 -8.027 -1.444 7.559 1.00 0.00 N ATOM 202 C2 DA B 1 -7.142 -1.429 8.562 1.00 0.00 C ATOM 203 N3 DA B 1 -6.689 -0.398 9.274 1.00 0.00 N ATOM 204 C4 DA B 1 -7.251 0.749 8.855 1.00 0.00 C ATOM 0 H5' DA B 1 -6.346 6.787 10.390 1.00 0.00 H new ATOM 0 H5'' DA B 1 -7.076 5.691 9.235 1.00 0.00 H new ATOM 0 H4' DA B 1 -5.370 5.146 11.592 1.00 0.00 H new ATOM 0 H3' DA B 1 -5.202 4.453 8.670 1.00 0.00 H new ATOM 0 H2' DA B 1 -4.409 2.227 9.129 1.00 0.00 H new ATOM 0 H2'' DA B 1 -4.003 2.612 10.790 1.00 0.00 H new ATOM 0 HO5' DA B 1 -8.176 4.941 11.470 1.00 0.00 H new ATOM 0 H1' DA B 1 -6.051 1.528 11.079 1.00 0.00 H new ATOM 0 H8 DA B 1 -7.872 3.916 8.741 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.698 -1.175 5.712 1.00 0.00 H new ATOM 0 H62 DA B 1 -9.876 0.578 5.841 1.00 0.00 H new ATOM 0 H2 DA B 1 -6.736 -2.392 8.834 1.00 0.00 H new ATOM 217 P DC B 2 -2.331 4.466 9.142 1.00 0.00 P ATOM 218 OP1 DC B 2 -1.193 5.268 9.661 1.00 0.00 O ATOM 219 OP2 DC B 2 -2.605 4.443 7.683 1.00 0.00 O ATOM 220 O5' DC B 2 -2.167 2.962 9.645 1.00 0.00 O ATOM 221 C5' DC B 2 -0.910 2.482 10.114 1.00 0.00 C ATOM 222 C4' DC B 2 -0.175 1.768 9.004 1.00 0.00 C ATOM 223 O4' DC B 2 -1.100 1.329 7.993 1.00 0.00 O ATOM 224 C3' DC B 2 0.841 2.634 8.264 1.00 0.00 C ATOM 225 O3' DC B 2 2.155 2.401 8.783 1.00 0.00 O ATOM 226 C2' DC B 2 0.734 2.178 6.810 1.00 0.00 C ATOM 227 C1' DC B 2 -0.364 1.119 6.810 1.00 0.00 C ATOM 228 N1 DC B 2 -1.309 1.175 5.680 1.00 0.00 N ATOM 229 C2 DC B 2 -1.615 -0.009 5.001 1.00 0.00 C ATOM 230 O2 DC B 2 -1.065 -1.065 5.350 1.00 0.00 O ATOM 231 N3 DC B 2 -2.501 0.024 3.981 1.00 0.00 N ATOM 232 C4 DC B 2 -3.066 1.179 3.626 1.00 0.00 C ATOM 233 N4 DC B 2 -3.943 1.163 2.621 1.00 0.00 N ATOM 234 C5 DC B 2 -2.762 2.403 4.289 1.00 0.00 C ATOM 235 C6 DC B 2 -1.891 2.355 5.304 1.00 0.00 C ATOM 0 H5' DC B 2 -1.062 1.804 10.954 1.00 0.00 H new ATOM 0 H5'' DC B 2 -0.309 3.314 10.481 1.00 0.00 H new ATOM 0 H4' DC B 2 0.341 0.950 9.508 1.00 0.00 H new ATOM 0 H3' DC B 2 0.652 3.702 8.373 1.00 0.00 H new ATOM 0 H2' DC B 2 0.480 3.010 6.153 1.00 0.00 H new ATOM 0 H2'' DC B 2 1.679 1.767 6.454 1.00 0.00 H new ATOM 0 H1' DC B 2 0.125 0.148 6.730 1.00 0.00 H new ATOM 0 H41 DC B 2 -4.394 2.028 2.324 1.00 0.00 H new ATOM 0 H42 DC B 2 -4.163 0.285 2.150 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.217 3.334 3.984 1.00 0.00 H new ATOM 0 H6 DC B 2 -1.643 3.262 5.835 1.00 0.00 H new ATOM 247 P DG B 3 3.413 3.195 8.169 1.00 0.00 P ATOM 248 OP1 DG B 3 4.321 3.558 9.284 1.00 0.00 O ATOM 249 OP2 DG B 3 2.891 4.260 7.277 1.00 0.00 O ATOM 250 O5' DG B 3 4.144 2.107 7.264 1.00 0.00 O ATOM 251 C5' DG B 3 4.140 0.726 7.633 1.00 0.00 C ATOM 252 C4' DG B 3 4.659 -0.123 6.496 1.00 0.00 C ATOM 253 O4' DG B 3 3.556 -0.427 5.607 1.00 0.00 O ATOM 254 C3' DG B 3 5.741 0.533 5.635 1.00 0.00 C ATOM 255 O3' DG B 3 6.762 -0.422 5.319 1.00 0.00 O ATOM 256 C2' DG B 3 4.997 0.974 4.386 1.00 0.00 C ATOM 257 C1' DG B 3 3.844 -0.005 4.286 1.00 0.00 C ATOM 258 N9 DG B 3 2.618 0.550 3.719 1.00 0.00 N ATOM 259 C8 DG B 3 2.135 1.827 3.866 1.00 0.00 C ATOM 260 N7 DG B 3 1.007 2.026 3.240 1.00 0.00 N ATOM 261 C5 DG B 3 0.730 0.805 2.640 1.00 0.00 C ATOM 262 C6 DG B 3 -0.360 0.406 1.823 1.00 0.00 C ATOM 263 O6 DG B 3 -1.330 1.075 1.452 1.00 0.00 O ATOM 264 N1 DG B 3 -0.246 -0.923 1.430 1.00 0.00 N ATOM 265 C2 DG B 3 0.785 -1.760 1.774 1.00 0.00 C ATOM 266 N2 DG B 3 0.719 -3.005 1.294 1.00 0.00 N ATOM 267 N3 DG B 3 1.806 -1.403 2.532 1.00 0.00 N ATOM 268 C4 DG B 3 1.715 -0.116 2.927 1.00 0.00 C ATOM 0 H5' DG B 3 3.128 0.416 7.895 1.00 0.00 H new ATOM 0 H5'' DG B 3 4.758 0.577 8.518 1.00 0.00 H new ATOM 0 H4' DG B 3 5.105 -0.997 6.970 1.00 0.00 H new ATOM 0 H3' DG B 3 6.242 1.365 6.131 1.00 0.00 H new ATOM 0 H2' DG B 3 4.643 2.001 4.473 1.00 0.00 H new ATOM 0 H2'' DG B 3 5.636 0.931 3.504 1.00 0.00 H new ATOM 0 H1' DG B 3 4.154 -0.806 3.615 1.00 0.00 H new ATOM 0 H8 DG B 3 2.638 2.590 4.442 1.00 0.00 H new ATOM 0 H1 DG B 3 -0.986 -1.305 0.841 1.00 0.00 H new ATOM 0 H21 DG B 3 1.455 -3.676 1.514 1.00 0.00 H new ATOM 0 H22 DG B 3 -0.068 -3.285 0.708 1.00 0.00 H new ATOM 280 P DC B 4 7.923 -0.040 4.271 1.00 0.00 P ATOM 281 OP1 DC B 4 9.187 -0.659 4.737 1.00 0.00 O ATOM 282 OP2 DC B 4 7.872 1.424 4.035 1.00 0.00 O ATOM 283 O5' DC B 4 7.477 -0.772 2.929 1.00 0.00 O ATOM 284 C5' DC B 4 6.663 -1.944 2.973 1.00 0.00 C ATOM 285 C4' DC B 4 6.946 -2.831 1.782 1.00 0.00 C ATOM 286 O4' DC B 4 5.777 -2.854 0.938 1.00 0.00 O ATOM 287 C3' DC B 4 8.095 -2.382 0.881 1.00 0.00 C ATOM 288 O3' DC B 4 8.772 -3.517 0.324 1.00 0.00 O ATOM 289 C2' DC B 4 7.410 -1.582 -0.217 1.00 0.00 C ATOM 290 C1' DC B 4 5.926 -1.921 -0.118 1.00 0.00 C ATOM 291 N1 DC B 4 5.050 -0.772 0.167 1.00 0.00 N ATOM 292 C2 DC B 4 3.776 -0.736 -0.407 1.00 0.00 C ATOM 293 O2 DC B 4 3.420 -1.674 -1.136 1.00 0.00 O ATOM 294 N3 DC B 4 2.966 0.316 -0.156 1.00 0.00 N ATOM 295 C4 DC B 4 3.385 1.305 0.636 1.00 0.00 C ATOM 296 N4 DC B 4 2.551 2.317 0.866 1.00 0.00 N ATOM 297 C5 DC B 4 4.679 1.297 1.232 1.00 0.00 C ATOM 298 C6 DC B 4 5.470 0.248 0.975 1.00 0.00 C ATOM 0 H5' DC B 4 5.610 -1.662 2.982 1.00 0.00 H new ATOM 0 H5'' DC B 4 6.854 -2.492 3.896 1.00 0.00 H new ATOM 0 H4' DC B 4 7.220 -3.794 2.213 1.00 0.00 H new ATOM 0 H3' DC B 4 8.848 -1.805 1.418 1.00 0.00 H new ATOM 0 H2' DC B 4 7.576 -0.513 -0.083 1.00 0.00 H new ATOM 0 H2'' DC B 4 7.806 -1.846 -1.198 1.00 0.00 H new ATOM 0 H1' DC B 4 5.622 -2.304 -1.092 1.00 0.00 H new ATOM 0 H41 DC B 4 2.840 3.089 1.467 1.00 0.00 H new ATOM 0 H42 DC B 4 1.624 2.320 0.441 1.00 0.00 H new ATOM 0 H5 DC B 4 5.009 2.106 1.867 1.00 0.00 H new ATOM 0 H6 DC B 4 6.456 0.207 1.413 1.00 0.00 H new ATOM 310 P DG B 5 9.994 -3.297 -0.701 1.00 0.00 P ATOM 311 OP1 DG B 5 10.819 -4.530 -0.712 1.00 0.00 O ATOM 312 OP2 DG B 5 10.629 -1.998 -0.373 1.00 0.00 O ATOM 313 O5' DG B 5 9.286 -3.154 -2.122 1.00 0.00 O ATOM 314 C5' DG B 5 8.344 -4.129 -2.573 1.00 0.00 C ATOM 315 C4' DG B 5 8.057 -3.948 -4.045 1.00 0.00 C ATOM 316 O4' DG B 5 6.874 -3.128 -4.188 1.00 0.00 O ATOM 317 C3' DG B 5 9.163 -3.259 -4.842 1.00 0.00 C ATOM 318 O3' DG B 5 9.305 -3.872 -6.128 1.00 0.00 O ATOM 319 C2' DG B 5 8.687 -1.824 -4.977 1.00 0.00 C ATOM 320 C1' DG B 5 7.177 -1.888 -4.801 1.00 0.00 C ATOM 321 N9 DG B 5 6.631 -0.829 -3.960 1.00 0.00 N ATOM 322 C8 DG B 5 7.247 -0.227 -2.894 1.00 0.00 C ATOM 323 N7 DG B 5 6.516 0.691 -2.324 1.00 0.00 N ATOM 324 C5 DG B 5 5.342 0.700 -3.065 1.00 0.00 C ATOM 325 C6 DG B 5 4.174 1.495 -2.930 1.00 0.00 C ATOM 326 O6 DG B 5 3.931 2.374 -2.095 1.00 0.00 O ATOM 327 N1 DG B 5 3.228 1.183 -3.901 1.00 0.00 N ATOM 328 C2 DG B 5 3.379 0.223 -4.869 1.00 0.00 C ATOM 329 N2 DG B 5 2.346 0.066 -5.705 1.00 0.00 N ATOM 330 N3 DG B 5 4.460 -0.525 -5.007 1.00 0.00 N ATOM 331 C4 DG B 5 5.396 -0.234 -4.079 1.00 0.00 C ATOM 0 H5' DG B 5 7.419 -4.040 -2.003 1.00 0.00 H new ATOM 0 H5'' DG B 5 8.735 -5.131 -2.393 1.00 0.00 H new ATOM 0 H4' DG B 5 7.949 -4.957 -4.443 1.00 0.00 H new ATOM 0 H3' DG B 5 10.138 -3.328 -4.359 1.00 0.00 H new ATOM 0 H2' DG B 5 9.145 -1.184 -4.223 1.00 0.00 H new ATOM 0 H2'' DG B 5 8.953 -1.410 -5.950 1.00 0.00 H new ATOM 0 H1' DG B 5 6.731 -1.769 -5.788 1.00 0.00 H new ATOM 0 H8 DG B 5 8.240 -0.487 -2.559 1.00 0.00 H new ATOM 0 H1 DG B 5 2.354 1.709 -3.892 1.00 0.00 H new ATOM 0 H21 DG B 5 2.393 -0.631 -6.448 1.00 0.00 H new ATOM 0 H22 DG B 5 1.512 0.643 -5.599 1.00 0.00 H new HETATM 343 P 2AU B 6 10.570 -3.507 -7.054 1.00 0.00 P HETATM 344 OP1 2AU B 6 10.829 -4.679 -7.924 1.00 0.00 O HETATM 345 O5' 2AU B 6 10.032 -2.321 -7.973 1.00 0.00 O HETATM 346 C5' 2AU B 6 10.461 -0.974 -7.772 1.00 0.00 C HETATM 347 C4' 2AU B 6 9.544 -0.018 -8.504 1.00 0.00 C HETATM 348 O4' 2AU B 6 8.508 -0.784 -9.182 1.00 0.00 O HETATM 349 C3' 2AU B 6 8.805 0.994 -7.634 1.00 0.00 C HETATM 350 O3' 2AU B 6 8.649 2.249 -8.303 1.00 0.00 O HETATM 351 C2' 2AU B 6 7.472 0.307 -7.356 1.00 0.00 C HETATM 352 C1' 2AU B 6 7.239 -0.436 -8.668 1.00 0.00 C HETATM 353 N1 2AU B 6 6.448 -1.665 -8.514 1.00 0.00 N HETATM 354 C2 2AU B 6 5.172 -1.683 -9.046 1.00 0.00 C HETATM 355 O2 2AU B 6 4.683 -0.730 -9.628 1.00 0.00 O HETATM 356 N3 2AU B 6 4.488 -2.859 -8.870 1.00 0.00 N HETATM 357 C4 2AU B 6 4.938 -3.992 -8.230 1.00 0.00 C HETATM 358 O4 2AU B 6 4.203 -4.977 -8.155 1.00 0.00 O HETATM 359 C5 2AU B 6 6.264 -3.892 -7.705 1.00 0.00 C HETATM 360 C6 2AU B 6 6.960 -2.762 -7.859 1.00 0.00 C HETATM 370 OP2 2AU B 6 11.658 -2.982 -6.193 1.00 0.00 O HETATM 0 HO3' 2AU B 6 8.456 2.093 -9.251 1.00 0.00 H new HETATM 0 H5'' 2AU B 6 10.466 -0.741 -6.707 1.00 0.00 H new HETATM 0 H6 2AU B 6 7.969 -2.707 -7.451 1.00 0.00 H new HETATM 0 H5' 2AU B 6 11.484 -0.853 -8.129 1.00 0.00 H new HETATM 0 H5 2AU B 6 6.707 -4.738 -7.179 1.00 0.00 H new HETATM 0 H4' 2AU B 6 10.208 0.538 -9.166 1.00 0.00 H new HETATM 0 H3' 2AU B 6 9.339 1.247 -6.718 1.00 0.00 H new HETATM 0 H3 2AU B 6 3.544 -2.898 -9.255 1.00 0.00 H new HETATM 0 H1' 2AU B 6 6.674 0.220 -9.330 1.00 0.00 H new TER 372 2AU B 6 HETATM 373 C4A AQC A 7 -4.483 -1.183 6.610 1.00 0.00 C HETATM 374 C1A AQC A 7 -5.385 -1.485 5.565 1.00 0.00 C HETATM 375 C9 AQC A 7 -6.148 -0.403 4.866 1.00 0.00 C HETATM 376 C8A AQC A 7 -5.911 1.003 5.320 1.00 0.00 C HETATM 377 C5A AQC A 7 -5.007 1.296 6.363 1.00 0.00 C HETATM 378 C10 AQC A 7 -4.251 0.220 7.061 1.00 0.00 C HETATM 379 C4 AQC A 7 -3.786 -2.216 7.241 1.00 0.00 C HETATM 380 C3 AQC A 7 -3.979 -3.537 6.840 1.00 0.00 C HETATM 381 C2 AQC A 7 -4.877 -3.847 5.798 1.00 0.00 C HETATM 382 C1 AQC A 7 -5.572 -2.812 5.172 1.00 0.00 C HETATM 383 C8 AQC A 7 -6.600 2.047 4.694 1.00 0.00 C HETATM 384 C5 AQC A 7 -4.813 2.624 6.755 1.00 0.00 C HETATM 385 C7 AQC A 7 -6.395 3.365 5.097 1.00 0.00 C HETATM 386 C6 AQC A 7 -5.500 3.651 6.128 1.00 0.00 C HETATM 387 C1L AQC A 7 -5.155 -5.241 5.291 1.00 0.00 C HETATM 388 N2' AQC A 7 -4.490 -6.269 5.883 1.00 0.00 N HETATM 389 O9 AQC A 7 -6.927 -0.658 3.964 1.00 0.00 O HETATM 390 O10 AQC A 7 -3.473 0.469 7.961 1.00 0.00 O HETATM 391 O1L AQC A 7 -5.946 -5.435 4.383 1.00 0.00 O HETATM 0 HN2' AQC A 7 -3.832 -6.082 6.640 1.00 0.00 H new HETATM 0 H8 AQC A 7 -7.300 1.829 3.888 1.00 0.00 H new HETATM 0 H7 AQC A 7 -6.935 4.174 4.606 1.00 0.00 H new HETATM 0 H6 AQC A 7 -5.341 4.683 6.441 1.00 0.00 H new HETATM 0 H5 AQC A 7 -4.115 2.853 7.561 1.00 0.00 H new HETATM 0 H4 AQC A 7 -3.090 -1.989 8.048 1.00 0.00 H new HETATM 0 H3 AQC A 7 -3.431 -4.338 7.336 1.00 0.00 H new HETATM 0 H1 AQC A 7 -6.269 -3.042 4.366 1.00 0.00 H new HETATM 400 C4A AQC B 7 3.078 4.876 -5.634 1.00 0.00 C HETATM 401 C1A AQC B 7 4.125 4.796 -4.689 1.00 0.00 C HETATM 402 C9 AQC B 7 4.142 5.677 -3.479 1.00 0.00 C HETATM 403 C8A AQC B 7 3.007 6.638 -3.317 1.00 0.00 C HETATM 404 C5A AQC B 7 1.964 6.710 -4.265 1.00 0.00 C HETATM 405 C10 AQC B 7 1.948 5.836 -5.470 1.00 0.00 C HETATM 406 C4 AQC B 7 3.092 4.038 -6.752 1.00 0.00 C HETATM 407 C3 AQC B 7 4.132 3.128 -6.932 1.00 0.00 C HETATM 408 C2 AQC B 7 5.181 3.042 -5.993 1.00 0.00 C HETATM 409 C1 AQC B 7 5.163 3.882 -4.879 1.00 0.00 C HETATM 410 C8 AQC B 7 2.980 7.480 -2.200 1.00 0.00 C HETATM 411 C5 AQC B 7 0.920 7.621 -4.075 1.00 0.00 C HETATM 412 C7 AQC B 7 1.932 8.381 -2.026 1.00 0.00 C HETATM 413 C6 AQC B 7 0.902 8.449 -2.964 1.00 0.00 C HETATM 414 C1L AQC B 7 6.349 2.092 -6.096 1.00 0.00 C HETATM 415 N2' AQC B 7 6.390 1.261 -7.172 1.00 0.00 N HETATM 416 O9 AQC B 7 5.043 5.613 -2.660 1.00 0.00 O HETATM 417 O10 AQC B 7 1.053 5.897 -6.290 1.00 0.00 O HETATM 418 O1L AQC B 7 7.221 2.072 -5.244 1.00 0.00 O HETATM 0 HN2' AQC B 7 5.648 1.295 -7.871 1.00 0.00 H new HETATM 0 H8 AQC B 7 3.782 7.431 -1.463 1.00 0.00 H new HETATM 0 H7 AQC B 7 1.917 9.035 -1.154 1.00 0.00 H new HETATM 0 H6 AQC B 7 0.083 9.154 -2.823 1.00 0.00 H new HETATM 0 H5 AQC B 7 0.114 7.680 -4.807 1.00 0.00 H new HETATM 0 H4 AQC B 7 2.288 4.096 -7.485 1.00 0.00 H new HETATM 0 H3 AQC B 7 4.135 2.477 -7.806 1.00 0.00 H new HETATM 0 H1 AQC B 7 5.969 3.824 -4.148 1.00 0.00 H new