USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 182 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 DG O5' : rot 27:sc= 0.0117 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -28:sc= 0.0976 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot 171:sc= -0.0161 USER MOD Single : B 3 C O2' : rot 180:sc= -0.0682 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.344) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -10.943 -8.986 -3.412 1.00 0.00 O ATOM 2 C5' DG A 1 -11.547 -9.933 -2.555 1.00 0.00 C ATOM 3 C4' DG A 1 -10.889 -9.917 -1.172 1.00 0.00 C ATOM 4 O4' DG A 1 -9.508 -10.197 -1.306 1.00 0.00 O ATOM 5 C3' DG A 1 -11.028 -8.567 -0.455 1.00 0.00 C ATOM 6 O3' DG A 1 -11.543 -8.792 0.849 1.00 0.00 O ATOM 7 C2' DG A 1 -9.592 -8.053 -0.447 1.00 0.00 C ATOM 8 C1' DG A 1 -8.829 -9.375 -0.385 1.00 0.00 C ATOM 9 N9 DG A 1 -7.391 -9.293 -0.736 1.00 0.00 N ATOM 10 C8 DG A 1 -6.807 -9.116 -1.968 1.00 0.00 C ATOM 11 N7 DG A 1 -5.506 -9.207 -1.960 1.00 0.00 N ATOM 12 C5 DG A 1 -5.197 -9.494 -0.636 1.00 0.00 C ATOM 13 C6 DG A 1 -3.934 -9.746 -0.020 1.00 0.00 C ATOM 14 O6 DG A 1 -2.821 -9.720 -0.539 1.00 0.00 O ATOM 15 N1 DG A 1 -4.052 -10.056 1.333 1.00 0.00 N ATOM 16 C2 DG A 1 -5.252 -10.115 2.017 1.00 0.00 C ATOM 17 N2 DG A 1 -5.204 -10.390 3.323 1.00 0.00 N ATOM 18 N3 DG A 1 -6.439 -9.875 1.438 1.00 0.00 N ATOM 19 C4 DG A 1 -6.346 -9.571 0.115 1.00 0.00 C ATOM 0 H5' DG A 1 -11.463 -10.929 -2.990 1.00 0.00 H new ATOM 0 H5'' DG A 1 -12.611 -9.716 -2.459 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.401 -10.672 -0.575 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.709 -7.854 -0.919 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.352 -7.476 -1.340 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.385 -7.413 0.411 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.015 -8.839 -3.134 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.816 -9.746 0.640 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.376 -8.919 -2.864 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.197 -10.252 1.853 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.066 -10.443 3.865 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.305 -10.547 3.778 1.00 0.00 H new ATOM 32 P DC A 2 -11.887 -7.589 1.875 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.957 -8.056 2.784 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.080 -6.349 1.090 1.00 0.00 O ATOM 35 O5' DC A 2 -10.527 -7.432 2.731 1.00 0.00 O ATOM 36 C5' DC A 2 -10.182 -8.347 3.755 1.00 0.00 C ATOM 37 C4' DC A 2 -8.858 -7.931 4.405 1.00 0.00 C ATOM 38 O4' DC A 2 -7.797 -8.064 3.472 1.00 0.00 O ATOM 39 C3' DC A 2 -8.875 -6.474 4.897 1.00 0.00 C ATOM 40 O3' DC A 2 -8.390 -6.470 6.233 1.00 0.00 O ATOM 41 C2' DC A 2 -7.923 -5.828 3.893 1.00 0.00 C ATOM 42 C1' DC A 2 -6.933 -6.975 3.695 1.00 0.00 C ATOM 43 N1 DC A 2 -5.982 -6.786 2.565 1.00 0.00 N ATOM 44 C2 DC A 2 -4.624 -7.052 2.765 1.00 0.00 C ATOM 45 O2 DC A 2 -4.192 -7.435 3.849 1.00 0.00 O ATOM 46 N3 DC A 2 -3.766 -6.889 1.719 1.00 0.00 N ATOM 47 C4 DC A 2 -4.202 -6.494 0.516 1.00 0.00 C ATOM 48 N4 DC A 2 -3.312 -6.382 -0.474 1.00 0.00 N ATOM 49 C5 DC A 2 -5.598 -6.261 0.272 1.00 0.00 C ATOM 50 C6 DC A 2 -6.438 -6.426 1.321 1.00 0.00 C ATOM 0 H5' DC A 2 -10.094 -9.352 3.342 1.00 0.00 H new ATOM 0 H5'' DC A 2 -10.971 -8.379 4.506 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.714 -8.587 5.263 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.836 -5.961 4.934 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.423 -5.544 2.967 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.448 -4.930 4.287 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.261 -7.087 4.545 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.615 -6.083 -1.401 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.329 -6.595 -0.303 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.961 -5.968 -0.702 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.497 -6.270 1.175 1.00 0.00 H new ATOM 62 P DA A 3 -8.257 -5.142 7.142 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.014 -5.363 8.395 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.542 -3.952 6.311 1.00 0.00 O ATOM 65 O5' DA A 3 -6.681 -5.147 7.492 1.00 0.00 O ATOM 66 C5' DA A 3 -6.113 -6.138 8.332 1.00 0.00 C ATOM 67 C4' DA A 3 -4.612 -5.891 8.525 1.00 0.00 C ATOM 68 O4' DA A 3 -3.954 -5.988 7.275 1.00 0.00 O ATOM 69 C3' DA A 3 -4.325 -4.505 9.110 1.00 0.00 C ATOM 70 O3' DA A 3 -3.296 -4.629 10.082 1.00 0.00 O ATOM 71 C2' DA A 3 -3.891 -3.731 7.872 1.00 0.00 C ATOM 72 C1' DA A 3 -3.167 -4.831 7.099 1.00 0.00 C ATOM 73 N9 DA A 3 -3.060 -4.556 5.653 1.00 0.00 N ATOM 74 C8 DA A 3 -4.084 -4.352 4.768 1.00 0.00 C ATOM 75 N7 DA A 3 -3.709 -4.231 3.525 1.00 0.00 N ATOM 76 C5 DA A 3 -2.331 -4.407 3.585 1.00 0.00 C ATOM 77 C6 DA A 3 -1.323 -4.450 2.600 1.00 0.00 C ATOM 78 N6 DA A 3 -1.568 -4.301 1.294 1.00 0.00 N ATOM 79 N1 DA A 3 -0.054 -4.669 2.993 1.00 0.00 N ATOM 80 C2 DA A 3 0.207 -4.837 4.287 1.00 0.00 C ATOM 81 N3 DA A 3 -0.648 -4.831 5.305 1.00 0.00 N ATOM 82 C4 DA A 3 -1.923 -4.609 4.882 1.00 0.00 C ATOM 0 H5' DA A 3 -6.271 -7.125 7.897 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.615 -6.132 9.300 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.248 -6.644 9.224 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.153 -4.017 9.625 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.738 -3.324 7.319 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.236 -2.894 8.114 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.146 -4.923 7.470 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.118 -4.296 5.074 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.801 -4.341 0.623 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.522 -4.148 0.968 1.00 0.00 H new ATOM 0 H2 DA A 3 1.244 -4.999 4.542 1.00 0.00 H new ATOM 94 P DG A 4 -2.691 -3.366 10.890 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.231 -3.847 12.212 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.658 -2.249 10.810 1.00 0.00 O ATOM 97 O5' DG A 4 -1.394 -2.975 10.012 1.00 0.00 O ATOM 98 C5' DG A 4 -0.225 -3.775 10.034 1.00 0.00 C ATOM 99 C4' DG A 4 0.863 -3.184 9.132 1.00 0.00 C ATOM 100 O4' DG A 4 0.452 -3.225 7.781 1.00 0.00 O ATOM 101 C3' DG A 4 1.198 -1.719 9.460 1.00 0.00 C ATOM 102 O3' DG A 4 2.497 -1.649 10.037 1.00 0.00 O ATOM 103 C2' DG A 4 1.122 -1.040 8.097 1.00 0.00 C ATOM 104 C1' DG A 4 1.152 -2.198 7.119 1.00 0.00 C ATOM 105 N9 DG A 4 0.502 -1.853 5.843 1.00 0.00 N ATOM 106 C8 DG A 4 -0.830 -1.659 5.608 1.00 0.00 C ATOM 107 N7 DG A 4 -1.130 -1.483 4.351 1.00 0.00 N ATOM 108 C5 DG A 4 0.100 -1.565 3.702 1.00 0.00 C ATOM 109 C6 DG A 4 0.419 -1.513 2.310 1.00 0.00 C ATOM 110 O6 DG A 4 -0.349 -1.361 1.363 1.00 0.00 O ATOM 111 N1 DG A 4 1.783 -1.663 2.072 1.00 0.00 N ATOM 112 C2 DG A 4 2.736 -1.839 3.060 1.00 0.00 C ATOM 113 N2 DG A 4 4.015 -1.931 2.685 1.00 0.00 N ATOM 114 N3 DG A 4 2.435 -1.905 4.364 1.00 0.00 N ATOM 115 C4 DG A 4 1.107 -1.767 4.616 1.00 0.00 C ATOM 0 H5' DG A 4 -0.466 -4.786 9.705 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.147 -3.853 11.055 1.00 0.00 H new ATOM 0 H4' DG A 4 1.750 -3.793 9.307 1.00 0.00 H new ATOM 0 H3' DG A 4 0.533 -1.247 10.183 1.00 0.00 H new ATOM 0 H2' DG A 4 0.211 -0.451 7.993 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.960 -0.361 7.940 1.00 0.00 H new ATOM 0 H1' DG A 4 2.170 -2.484 6.854 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.570 -1.652 6.395 1.00 0.00 H new ATOM 0 H1 DG A 4 2.101 -1.642 1.103 1.00 0.00 H new ATOM 0 H21 DG A 4 4.744 -2.061 3.386 1.00 0.00 H new ATOM 0 H22 DG A 4 4.262 -1.871 1.697 1.00 0.00 H new ATOM 127 P DT A 5 3.173 -0.263 10.542 1.00 0.00 P ATOM 128 OP1 DT A 5 4.323 -0.610 11.407 1.00 0.00 O ATOM 129 OP2 DT A 5 2.101 0.610 11.068 1.00 0.00 O ATOM 130 O5' DT A 5 3.753 0.416 9.193 1.00 0.00 O ATOM 131 C5' DT A 5 4.835 -0.152 8.476 1.00 0.00 C ATOM 132 C4' DT A 5 5.090 0.589 7.154 1.00 0.00 C ATOM 133 O4' DT A 5 4.034 0.390 6.230 1.00 0.00 O ATOM 134 C3' DT A 5 5.235 2.109 7.330 1.00 0.00 C ATOM 135 O3' DT A 5 6.574 2.476 7.021 1.00 0.00 O ATOM 136 C2' DT A 5 4.211 2.684 6.355 1.00 0.00 C ATOM 137 C1' DT A 5 4.009 1.526 5.387 1.00 0.00 C ATOM 138 N1 DT A 5 2.734 1.590 4.621 1.00 0.00 N ATOM 139 C2 DT A 5 2.774 1.504 3.227 1.00 0.00 C ATOM 140 O2 DT A 5 3.815 1.426 2.579 1.00 0.00 O ATOM 141 N3 DT A 5 1.549 1.506 2.577 1.00 0.00 N ATOM 142 C4 DT A 5 0.304 1.611 3.178 1.00 0.00 C ATOM 143 O4 DT A 5 -0.711 1.602 2.487 1.00 0.00 O ATOM 144 C5 DT A 5 0.347 1.689 4.629 1.00 0.00 C ATOM 145 C7 DT A 5 -0.944 1.808 5.415 1.00 0.00 C ATOM 146 C6 DT A 5 1.534 1.669 5.286 1.00 0.00 C ATOM 0 H5' DT A 5 4.625 -1.202 8.271 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.735 -0.121 9.090 1.00 0.00 H new ATOM 0 H4' DT A 5 6.026 0.169 6.784 1.00 0.00 H new ATOM 0 H3' DT A 5 5.052 2.477 8.339 1.00 0.00 H new ATOM 0 H2' DT A 5 3.284 2.964 6.855 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.583 3.576 5.852 1.00 0.00 H new ATOM 0 H1' DT A 5 4.774 1.525 4.610 1.00 0.00 H new ATOM 0 H3 DT A 5 1.565 1.422 1.561 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.820 1.340 6.391 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.194 2.861 5.547 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.747 1.309 4.873 1.00 0.00 H new ATOM 0 H6 DT A 5 1.536 1.717 6.365 1.00 0.00 H new ATOM 159 P DG A 6 7.110 4.003 7.073 1.00 0.00 P ATOM 160 OP1 DG A 6 8.574 3.967 7.286 1.00 0.00 O ATOM 161 OP2 DG A 6 6.253 4.767 8.007 1.00 0.00 O ATOM 162 O5' DG A 6 6.833 4.551 5.577 1.00 0.00 O ATOM 163 C5' DG A 6 7.638 4.160 4.478 1.00 0.00 C ATOM 164 C4' DG A 6 7.133 4.807 3.182 1.00 0.00 C ATOM 165 O4' DG A 6 5.862 4.297 2.832 1.00 0.00 O ATOM 166 C3' DG A 6 7.010 6.334 3.280 1.00 0.00 C ATOM 167 O3' DG A 6 7.897 6.898 2.320 1.00 0.00 O ATOM 168 C2' DG A 6 5.536 6.578 2.975 1.00 0.00 C ATOM 169 C1' DG A 6 5.167 5.337 2.182 1.00 0.00 C ATOM 170 N9 DG A 6 3.725 5.052 2.189 1.00 0.00 N ATOM 171 C8 DG A 6 2.903 4.885 3.266 1.00 0.00 C ATOM 172 N7 DG A 6 1.668 4.603 2.957 1.00 0.00 N ATOM 173 C5 DG A 6 1.675 4.577 1.564 1.00 0.00 C ATOM 174 C6 DG A 6 0.615 4.350 0.636 1.00 0.00 C ATOM 175 O6 DG A 6 -0.555 4.067 0.877 1.00 0.00 O ATOM 176 N1 DG A 6 1.026 4.496 -0.689 1.00 0.00 N ATOM 177 C2 DG A 6 2.318 4.799 -1.077 1.00 0.00 C ATOM 178 N2 DG A 6 2.552 4.954 -2.381 1.00 0.00 N ATOM 179 N3 DG A 6 3.322 4.972 -0.209 1.00 0.00 N ATOM 180 C4 DG A 6 2.933 4.857 1.088 1.00 0.00 C ATOM 0 H5' DG A 6 7.625 3.075 4.378 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.673 4.451 4.657 1.00 0.00 H new ATOM 0 H4' DG A 6 7.878 4.564 2.424 1.00 0.00 H new ATOM 0 H3' DG A 6 7.279 6.781 4.237 1.00 0.00 H new ATOM 0 H2' DG A 6 4.942 6.673 3.884 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.384 7.490 2.398 1.00 0.00 H new ATOM 0 H1' DG A 6 5.428 5.459 1.131 1.00 0.00 H new ATOM 0 H8 DG A 6 3.246 4.978 4.286 1.00 0.00 H new ATOM 0 H1 DG A 6 0.326 4.371 -1.421 1.00 0.00 H new ATOM 0 H21 DG A 6 3.492 5.178 -2.707 1.00 0.00 H new ATOM 0 H22 DG A 6 1.791 4.848 -3.052 1.00 0.00 H new ATOM 192 P DG A 7 7.947 8.472 1.956 1.00 0.00 P ATOM 193 OP1 DG A 7 9.293 8.775 1.421 1.00 0.00 O ATOM 194 OP2 DG A 7 7.427 9.237 3.110 1.00 0.00 O ATOM 195 O5' DG A 7 6.883 8.597 0.743 1.00 0.00 O ATOM 196 C5' DG A 7 7.140 8.047 -0.539 1.00 0.00 C ATOM 197 C4' DG A 7 6.001 8.392 -1.506 1.00 0.00 C ATOM 198 O4' DG A 7 4.805 7.726 -1.129 1.00 0.00 O ATOM 199 C3' DG A 7 5.715 9.901 -1.542 1.00 0.00 C ATOM 200 O3' DG A 7 5.798 10.359 -2.888 1.00 0.00 O ATOM 201 C2' DG A 7 4.288 9.947 -1.005 1.00 0.00 C ATOM 202 C1' DG A 7 3.736 8.594 -1.435 1.00 0.00 C ATOM 203 N9 DG A 7 2.500 8.200 -0.718 1.00 0.00 N ATOM 204 C8 DG A 7 2.338 7.984 0.624 1.00 0.00 C ATOM 205 N7 DG A 7 1.140 7.615 0.974 1.00 0.00 N ATOM 206 C5 DG A 7 0.445 7.572 -0.227 1.00 0.00 C ATOM 207 C6 DG A 7 -0.919 7.237 -0.481 1.00 0.00 C ATOM 208 O6 DG A 7 -1.765 6.854 0.322 1.00 0.00 O ATOM 209 N1 DG A 7 -1.270 7.411 -1.816 1.00 0.00 N ATOM 210 C2 DG A 7 -0.388 7.799 -2.807 1.00 0.00 C ATOM 211 N2 DG A 7 -0.896 7.995 -4.027 1.00 0.00 N ATOM 212 N3 DG A 7 0.913 8.050 -2.581 1.00 0.00 N ATOM 213 C4 DG A 7 1.265 7.935 -1.271 1.00 0.00 C ATOM 0 H5' DG A 7 7.246 6.965 -0.463 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.083 8.433 -0.925 1.00 0.00 H new ATOM 0 H4' DG A 7 6.325 8.066 -2.494 1.00 0.00 H new ATOM 0 H3' DG A 7 6.403 10.528 -0.975 1.00 0.00 H new ATOM 0 H2' DG A 7 4.265 10.070 0.078 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.719 10.773 -1.432 1.00 0.00 H new ATOM 0 H1' DG A 7 3.431 8.586 -2.481 1.00 0.00 H new ATOM 0 H8 DG A 7 3.140 8.110 1.336 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.240 7.241 -2.080 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.287 8.282 -4.793 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.893 7.858 -4.192 1.00 0.00 H new ATOM 225 P DC A 8 5.475 11.887 -3.328 1.00 0.00 P ATOM 226 OP1 DC A 8 6.192 12.158 -4.593 1.00 0.00 O ATOM 227 OP2 DC A 8 5.697 12.767 -2.159 1.00 0.00 O ATOM 228 O5' DC A 8 3.885 11.875 -3.647 1.00 0.00 O ATOM 229 C5' DC A 8 3.362 11.173 -4.760 1.00 0.00 C ATOM 230 C4' DC A 8 1.859 11.409 -4.963 1.00 0.00 C ATOM 231 O4' DC A 8 1.125 10.715 -3.978 1.00 0.00 O ATOM 232 C3' DC A 8 1.399 12.877 -4.878 1.00 0.00 C ATOM 233 O3' DC A 8 1.081 13.369 -6.163 1.00 0.00 O ATOM 234 C2' DC A 8 0.149 12.833 -3.993 1.00 0.00 C ATOM 235 C1' DC A 8 -0.137 11.339 -3.856 1.00 0.00 C ATOM 236 N1 DC A 8 -0.754 11.020 -2.540 1.00 0.00 N ATOM 237 C2 DC A 8 -2.124 10.771 -2.464 1.00 0.00 C ATOM 238 O2 DC A 8 -2.838 10.861 -3.460 1.00 0.00 O ATOM 239 N3 DC A 8 -2.658 10.425 -1.256 1.00 0.00 N ATOM 240 C4 DC A 8 -1.888 10.322 -0.161 1.00 0.00 C ATOM 241 N4 DC A 8 -2.457 9.938 0.986 1.00 0.00 N ATOM 242 C5 DC A 8 -0.474 10.579 -0.216 1.00 0.00 C ATOM 243 C6 DC A 8 0.033 10.925 -1.422 1.00 0.00 C ATOM 0 H5' DC A 8 3.542 10.106 -4.628 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.897 11.478 -5.659 1.00 0.00 H new ATOM 0 H4' DC A 8 1.675 11.057 -5.978 1.00 0.00 H new ATOM 0 H3' DC A 8 2.170 13.534 -4.476 1.00 0.00 H new ATOM 0 H2' DC A 8 0.327 13.298 -3.024 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.687 13.361 -4.452 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.789 14.302 -6.093 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.846 10.996 -4.610 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.893 9.852 1.831 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.455 9.731 1.016 1.00 0.00 H new ATOM 0 H5 DC A 8 0.152 10.500 0.661 1.00 0.00 H new ATOM 0 H6 DC A 8 1.090 11.133 -1.506 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.729 6.926 0.027 1.00 0.00 O ATOM 258 C5' G B 1 -13.497 7.527 -0.995 1.00 0.00 C ATOM 259 C4' G B 1 -12.614 8.225 -2.036 1.00 0.00 C ATOM 260 O4' G B 1 -11.837 9.269 -1.452 1.00 0.00 O ATOM 261 C3' G B 1 -11.615 7.284 -2.712 1.00 0.00 C ATOM 262 O3' G B 1 -12.171 6.523 -3.769 1.00 0.00 O ATOM 263 C2' G B 1 -10.620 8.310 -3.220 1.00 0.00 C ATOM 264 O2' G B 1 -11.095 8.962 -4.383 1.00 0.00 O ATOM 265 C1' G B 1 -10.554 9.306 -2.071 1.00 0.00 C ATOM 266 N9 G B 1 -9.476 9.079 -1.086 1.00 0.00 N ATOM 267 C8 G B 1 -9.542 8.603 0.197 1.00 0.00 C ATOM 268 N7 G B 1 -8.416 8.678 0.854 1.00 0.00 N ATOM 269 C5 G B 1 -7.533 9.252 -0.057 1.00 0.00 C ATOM 270 C6 G B 1 -6.142 9.566 0.063 1.00 0.00 C ATOM 271 O6 G B 1 -5.404 9.400 1.031 1.00 0.00 O ATOM 272 N1 G B 1 -5.616 10.110 -1.109 1.00 0.00 N ATOM 273 C2 G B 1 -6.352 10.353 -2.255 1.00 0.00 C ATOM 274 N2 G B 1 -5.714 10.868 -3.308 1.00 0.00 N ATOM 275 N3 G B 1 -7.656 10.065 -2.365 1.00 0.00 N ATOM 276 C4 G B 1 -8.181 9.511 -1.240 1.00 0.00 C ATOM 0 H5' G B 1 -14.183 8.252 -0.556 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.106 6.768 -1.486 1.00 0.00 H new ATOM 0 H4' G B 1 -13.321 8.610 -2.771 1.00 0.00 H new ATOM 0 H3' G B 1 -11.215 6.511 -2.056 1.00 0.00 H new ATOM 0 H2' G B 1 -9.662 7.867 -3.491 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.704 8.366 -4.867 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.326 6.493 0.673 1.00 0.00 H new ATOM 0 H1' G B 1 -10.302 10.286 -2.477 1.00 0.00 H new ATOM 0 H8 G B 1 -10.447 8.201 0.628 1.00 0.00 H new ATOM 0 H1 G B 1 -4.623 10.344 -1.122 1.00 0.00 H new ATOM 0 H21 G B 1 -6.225 11.060 -4.170 1.00 0.00 H new ATOM 0 H22 G B 1 -4.716 11.069 -3.251 1.00 0.00 H new ATOM 289 P C B 2 -11.416 5.217 -4.353 1.00 0.00 P ATOM 290 OP1 C B 2 -12.142 4.780 -5.565 1.00 0.00 O ATOM 291 OP2 C B 2 -11.241 4.273 -3.227 1.00 0.00 O ATOM 292 O5' C B 2 -9.946 5.727 -4.796 1.00 0.00 O ATOM 293 C5' C B 2 -9.693 6.341 -6.050 1.00 0.00 C ATOM 294 C4' C B 2 -8.217 6.760 -6.141 1.00 0.00 C ATOM 295 O4' C B 2 -7.830 7.561 -5.028 1.00 0.00 O ATOM 296 C3' C B 2 -7.283 5.554 -6.117 1.00 0.00 C ATOM 297 O3' C B 2 -7.083 4.942 -7.384 1.00 0.00 O ATOM 298 C2' C B 2 -6.008 6.197 -5.597 1.00 0.00 C ATOM 299 O2' C B 2 -5.193 6.648 -6.661 1.00 0.00 O ATOM 300 C1' C B 2 -6.431 7.428 -4.806 1.00 0.00 C ATOM 301 N1 C B 2 -6.027 7.287 -3.378 1.00 0.00 N ATOM 302 C2 C B 2 -4.667 7.414 -3.071 1.00 0.00 C ATOM 303 O2 C B 2 -3.859 7.836 -3.897 1.00 0.00 O ATOM 304 N3 C B 2 -4.239 7.045 -1.831 1.00 0.00 N ATOM 305 C4 C B 2 -5.099 6.581 -0.913 1.00 0.00 C ATOM 306 N4 C B 2 -4.624 6.220 0.282 1.00 0.00 N ATOM 307 C5 C B 2 -6.510 6.533 -1.173 1.00 0.00 C ATOM 308 C6 C B 2 -6.923 6.907 -2.408 1.00 0.00 C ATOM 0 H5' C B 2 -10.335 7.213 -6.174 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.934 5.650 -6.858 1.00 0.00 H new ATOM 0 H4' C B 2 -8.133 7.309 -7.079 1.00 0.00 H new ATOM 0 H3' C B 2 -7.671 4.728 -5.521 1.00 0.00 H new ATOM 0 H2' C B 2 -5.451 5.471 -5.004 1.00 0.00 H new ATOM 0 HO2' C B 2 -4.457 7.188 -6.303 1.00 0.00 H new ATOM 0 H1' C B 2 -5.938 8.346 -5.126 1.00 0.00 H new ATOM 0 H41 C B 2 -5.259 5.864 0.997 1.00 0.00 H new ATOM 0 H42 C B 2 -3.627 6.300 0.480 1.00 0.00 H new ATOM 0 H5 C B 2 -7.212 6.213 -0.417 1.00 0.00 H new ATOM 0 H6 C B 2 -7.979 6.906 -2.635 1.00 0.00 H new ATOM 320 P C B 3 -6.180 3.600 -7.556 1.00 0.00 P ATOM 321 OP1 C B 3 -6.459 3.051 -8.902 1.00 0.00 O ATOM 322 OP2 C B 3 -6.412 2.750 -6.367 1.00 0.00 O ATOM 323 O5' C B 3 -4.625 4.067 -7.523 1.00 0.00 O ATOM 324 C5' C B 3 -3.985 4.644 -8.652 1.00 0.00 C ATOM 325 C4' C B 3 -2.498 4.951 -8.395 1.00 0.00 C ATOM 326 O4' C B 3 -2.298 5.896 -7.346 1.00 0.00 O ATOM 327 C3' C B 3 -1.694 3.712 -8.003 1.00 0.00 C ATOM 328 O3' C B 3 -1.310 2.915 -9.113 1.00 0.00 O ATOM 329 C2' C B 3 -0.506 4.387 -7.340 1.00 0.00 C ATOM 330 O2' C B 3 0.392 4.921 -8.292 1.00 0.00 O ATOM 331 C1' C B 3 -1.145 5.542 -6.577 1.00 0.00 C ATOM 332 N1 C B 3 -1.484 5.157 -5.176 1.00 0.00 N ATOM 333 C2 C B 3 -0.439 4.888 -4.290 1.00 0.00 C ATOM 334 O2 C B 3 0.729 5.059 -4.629 1.00 0.00 O ATOM 335 N3 C B 3 -0.739 4.441 -3.035 1.00 0.00 N ATOM 336 C4 C B 3 -2.012 4.252 -2.656 1.00 0.00 C ATOM 337 N4 C B 3 -2.267 3.813 -1.419 1.00 0.00 N ATOM 338 C5 C B 3 -3.101 4.576 -3.528 1.00 0.00 C ATOM 339 C6 C B 3 -2.784 5.030 -4.762 1.00 0.00 C ATOM 0 H5' C B 3 -4.500 5.564 -8.927 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.071 3.965 -9.501 1.00 0.00 H new ATOM 0 H4' C B 3 -2.153 5.352 -9.348 1.00 0.00 H new ATOM 0 H3' C B 3 -2.236 2.998 -7.383 1.00 0.00 H new ATOM 0 H2' C B 3 0.065 3.691 -6.726 1.00 0.00 H new ATOM 0 HO2' C B 3 1.143 5.348 -7.830 1.00 0.00 H new ATOM 0 H1' C B 3 -0.468 6.389 -6.468 1.00 0.00 H new ATOM 0 H41 C B 3 -3.231 3.665 -1.119 1.00 0.00 H new ATOM 0 H42 C B 3 -1.498 3.626 -0.776 1.00 0.00 H new ATOM 0 H5 C B 3 -4.128 4.463 -3.215 1.00 0.00 H new ATOM 0 H6 C B 3 -3.579 5.300 -5.441 1.00 0.00 H new ATOM 351 P A B 4 -0.713 1.421 -8.930 1.00 0.00 P ATOM 352 OP1 A B 4 -0.348 0.913 -10.270 1.00 0.00 O ATOM 353 OP2 A B 4 -1.667 0.656 -8.096 1.00 0.00 O ATOM 354 O5' A B 4 0.645 1.598 -8.073 1.00 0.00 O ATOM 355 C5' A B 4 1.855 2.054 -8.648 1.00 0.00 C ATOM 356 C4' A B 4 2.908 2.242 -7.548 1.00 0.00 C ATOM 357 O4' A B 4 2.398 2.979 -6.440 1.00 0.00 O ATOM 358 C3' A B 4 3.402 0.905 -7.008 1.00 0.00 C ATOM 359 O3' A B 4 4.427 0.370 -7.832 1.00 0.00 O ATOM 360 C2' A B 4 3.892 1.354 -5.639 1.00 0.00 C ATOM 361 O2' A B 4 5.208 1.856 -5.672 1.00 0.00 O ATOM 362 C1' A B 4 2.911 2.438 -5.230 1.00 0.00 C ATOM 363 N9 A B 4 1.829 1.955 -4.333 1.00 0.00 N ATOM 364 C8 A B 4 0.497 1.740 -4.595 1.00 0.00 C ATOM 365 N7 A B 4 -0.218 1.452 -3.543 1.00 0.00 N ATOM 366 C5 A B 4 0.702 1.471 -2.501 1.00 0.00 C ATOM 367 C6 A B 4 0.585 1.291 -1.105 1.00 0.00 C ATOM 368 N6 A B 4 -0.582 1.072 -0.490 1.00 0.00 N ATOM 369 N1 A B 4 1.700 1.369 -0.353 1.00 0.00 N ATOM 370 C2 A B 4 2.864 1.621 -0.946 1.00 0.00 C ATOM 371 N3 A B 4 3.102 1.827 -2.239 1.00 0.00 N ATOM 372 C4 A B 4 1.960 1.743 -2.978 1.00 0.00 C ATOM 0 H5' A B 4 1.689 2.996 -9.171 1.00 0.00 H new ATOM 0 H5'' A B 4 2.211 1.337 -9.388 1.00 0.00 H new ATOM 0 H4' A B 4 3.725 2.789 -8.019 1.00 0.00 H new ATOM 0 H3' A B 4 2.671 0.097 -6.972 1.00 0.00 H new ATOM 0 H2' A B 4 3.929 0.521 -4.937 1.00 0.00 H new ATOM 0 HO2' A B 4 5.476 2.132 -4.771 1.00 0.00 H new ATOM 0 H1' A B 4 3.421 3.196 -4.635 1.00 0.00 H new ATOM 0 H8 A B 4 0.078 1.804 -5.588 1.00 0.00 H new ATOM 0 H61 A B 4 -0.610 0.949 0.522 1.00 0.00 H new ATOM 0 H62 A B 4 -1.444 1.028 -1.033 1.00 0.00 H new ATOM 0 H2 A B 4 3.725 1.664 -0.295 1.00 0.00 H new ATOM 384 P DC B 5 4.805 -1.200 -7.845 1.00 0.00 P ATOM 385 OP1 DC B 5 5.926 -1.392 -8.790 1.00 0.00 O ATOM 386 OP2 DC B 5 3.553 -1.967 -8.030 1.00 0.00 O ATOM 387 O5' DC B 5 5.345 -1.494 -6.359 1.00 0.00 O ATOM 388 C5' DC B 5 6.637 -1.108 -5.923 1.00 0.00 C ATOM 389 C4' DC B 5 6.674 -1.303 -4.404 1.00 0.00 C ATOM 390 O4' DC B 5 5.504 -0.740 -3.843 1.00 0.00 O ATOM 391 C3' DC B 5 6.720 -2.783 -4.030 1.00 0.00 C ATOM 392 O3' DC B 5 8.044 -3.138 -3.649 1.00 0.00 O ATOM 393 C2' DC B 5 5.725 -2.871 -2.888 1.00 0.00 C ATOM 394 C1' DC B 5 5.177 -1.467 -2.680 1.00 0.00 C ATOM 395 N1 DC B 5 3.715 -1.541 -2.405 1.00 0.00 N ATOM 396 C2 DC B 5 3.308 -1.819 -1.100 1.00 0.00 C ATOM 397 O2 DC B 5 4.128 -1.948 -0.195 1.00 0.00 O ATOM 398 N3 DC B 5 1.977 -1.950 -0.843 1.00 0.00 N ATOM 399 C4 DC B 5 1.067 -1.855 -1.822 1.00 0.00 C ATOM 400 N4 DC B 5 -0.225 -1.970 -1.504 1.00 0.00 N ATOM 401 C5 DC B 5 1.464 -1.616 -3.181 1.00 0.00 C ATOM 402 C6 DC B 5 2.789 -1.472 -3.416 1.00 0.00 C ATOM 0 H5' DC B 5 6.837 -0.069 -6.183 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.404 -1.712 -6.408 1.00 0.00 H new ATOM 0 H4' DC B 5 7.572 -0.818 -4.021 1.00 0.00 H new ATOM 0 H3' DC B 5 6.466 -3.471 -4.836 1.00 0.00 H new ATOM 0 H2' DC B 5 4.922 -3.569 -3.126 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.207 -3.237 -1.981 1.00 0.00 H new ATOM 0 H1' DC B 5 5.609 -0.960 -1.817 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.937 -1.901 -2.231 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.499 -2.126 -0.534 1.00 0.00 H new ATOM 0 H5 DC B 5 0.739 -1.554 -3.979 1.00 0.00 H new ATOM 0 H6 DC B 5 3.127 -1.298 -4.427 1.00 0.00 H new ATOM 414 P DT B 6 8.485 -4.650 -3.265 1.00 0.00 P ATOM 415 OP1 DT B 6 9.963 -4.709 -3.297 1.00 0.00 O ATOM 416 OP2 DT B 6 7.699 -5.586 -4.101 1.00 0.00 O ATOM 417 O5' DT B 6 8.016 -4.845 -1.731 1.00 0.00 O ATOM 418 C5' DT B 6 8.579 -4.097 -0.665 1.00 0.00 C ATOM 419 C4' DT B 6 7.872 -4.482 0.640 1.00 0.00 C ATOM 420 O4' DT B 6 6.485 -4.248 0.499 1.00 0.00 O ATOM 421 C3' DT B 6 8.088 -5.953 1.014 1.00 0.00 C ATOM 422 O3' DT B 6 8.579 -6.019 2.350 1.00 0.00 O ATOM 423 C2' DT B 6 6.676 -6.512 0.891 1.00 0.00 C ATOM 424 C1' DT B 6 5.822 -5.280 1.186 1.00 0.00 C ATOM 425 N1 DT B 6 4.413 -5.361 0.723 1.00 0.00 N ATOM 426 C2 DT B 6 3.380 -5.104 1.627 1.00 0.00 C ATOM 427 O2 DT B 6 3.549 -4.988 2.838 1.00 0.00 O ATOM 428 N3 DT B 6 2.110 -4.984 1.085 1.00 0.00 N ATOM 429 C4 DT B 6 1.773 -5.124 -0.252 1.00 0.00 C ATOM 430 O4 DT B 6 0.603 -5.008 -0.608 1.00 0.00 O ATOM 431 C5 DT B 6 2.901 -5.395 -1.125 1.00 0.00 C ATOM 432 C7 DT B 6 2.669 -5.539 -2.616 1.00 0.00 C ATOM 433 C6 DT B 6 4.155 -5.499 -0.616 1.00 0.00 C ATOM 0 H5' DT B 6 8.467 -3.029 -0.853 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.648 -4.297 -0.588 1.00 0.00 H new ATOM 0 H4' DT B 6 8.299 -3.871 1.435 1.00 0.00 H new ATOM 0 H3' DT B 6 8.808 -6.497 0.403 1.00 0.00 H new ATOM 0 H2' DT B 6 6.482 -6.915 -0.103 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.492 -7.317 1.603 1.00 0.00 H new ATOM 0 H1' DT B 6 5.733 -5.142 2.264 1.00 0.00 H new ATOM 0 H3 DT B 6 1.351 -4.772 1.732 1.00 0.00 H new ATOM 0 H71 DT B 6 1.669 -5.935 -2.792 1.00 0.00 H new ATOM 0 H72 DT B 6 2.763 -4.564 -3.095 1.00 0.00 H new ATOM 0 H73 DT B 6 3.409 -6.221 -3.035 1.00 0.00 H new ATOM 0 H6 DT B 6 4.977 -5.697 -1.288 1.00 0.00 H new ATOM 446 P DG B 7 8.847 -7.412 3.136 1.00 0.00 P ATOM 447 OP1 DG B 7 9.818 -7.142 4.219 1.00 0.00 O ATOM 448 OP2 DG B 7 9.146 -8.457 2.131 1.00 0.00 O ATOM 449 O5' DG B 7 7.418 -7.767 3.816 1.00 0.00 O ATOM 450 C5' DG B 7 6.946 -7.087 4.967 1.00 0.00 C ATOM 451 C4' DG B 7 5.600 -7.649 5.455 1.00 0.00 C ATOM 452 O4' DG B 7 4.543 -7.309 4.574 1.00 0.00 O ATOM 453 C3' DG B 7 5.594 -9.183 5.580 1.00 0.00 C ATOM 454 O3' DG B 7 5.293 -9.521 6.931 1.00 0.00 O ATOM 455 C2' DG B 7 4.519 -9.609 4.590 1.00 0.00 C ATOM 456 C1' DG B 7 3.620 -8.381 4.592 1.00 0.00 C ATOM 457 N9 DG B 7 2.707 -8.306 3.442 1.00 0.00 N ATOM 458 C8 DG B 7 3.058 -8.374 2.136 1.00 0.00 C ATOM 459 N7 DG B 7 2.082 -8.192 1.293 1.00 0.00 N ATOM 460 C5 DG B 7 0.979 -7.998 2.121 1.00 0.00 C ATOM 461 C6 DG B 7 -0.390 -7.761 1.792 1.00 0.00 C ATOM 462 O6 DG B 7 -0.882 -7.600 0.678 1.00 0.00 O ATOM 463 N1 DG B 7 -1.208 -7.727 2.919 1.00 0.00 N ATOM 464 C2 DG B 7 -0.754 -7.854 4.220 1.00 0.00 C ATOM 465 N2 DG B 7 -1.663 -7.815 5.199 1.00 0.00 N ATOM 466 N3 DG B 7 0.539 -8.024 4.533 1.00 0.00 N ATOM 467 C4 DG B 7 1.350 -8.094 3.444 1.00 0.00 C ATOM 0 H5' DG B 7 6.836 -6.026 4.742 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.684 -7.169 5.765 1.00 0.00 H new ATOM 0 H4' DG B 7 5.456 -7.200 6.438 1.00 0.00 H new ATOM 0 H3' DG B 7 6.538 -9.679 5.356 1.00 0.00 H new ATOM 0 H2' DG B 7 4.928 -9.819 3.602 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.992 -10.506 4.914 1.00 0.00 H new ATOM 0 H1' DG B 7 2.949 -8.383 5.451 1.00 0.00 H new ATOM 0 H8 DG B 7 4.072 -8.565 1.817 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.210 -7.600 2.775 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.369 -7.905 6.172 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.651 -7.695 4.973 1.00 0.00 H new ATOM 479 P DC B 8 5.052 -11.038 7.446 1.00 0.00 P ATOM 480 OP1 DC B 8 5.475 -11.114 8.862 1.00 0.00 O ATOM 481 OP2 DC B 8 5.637 -11.971 6.456 1.00 0.00 O ATOM 482 O5' DC B 8 3.441 -11.192 7.394 1.00 0.00 O ATOM 483 C5' DC B 8 2.610 -10.605 8.382 1.00 0.00 C ATOM 484 C4' DC B 8 1.126 -10.830 8.062 1.00 0.00 C ATOM 485 O4' DC B 8 0.807 -10.356 6.764 1.00 0.00 O ATOM 486 C3' DC B 8 0.728 -12.308 8.095 1.00 0.00 C ATOM 487 O3' DC B 8 0.061 -12.626 9.299 1.00 0.00 O ATOM 488 C2' DC B 8 -0.206 -12.462 6.894 1.00 0.00 C ATOM 489 C1' DC B 8 -0.339 -11.055 6.308 1.00 0.00 C ATOM 490 N1 DC B 8 -0.399 -11.099 4.819 1.00 0.00 N ATOM 491 C2 DC B 8 -1.628 -10.965 4.168 1.00 0.00 C ATOM 492 O2 DC B 8 -2.677 -10.852 4.799 1.00 0.00 O ATOM 493 N3 DC B 8 -1.643 -10.952 2.802 1.00 0.00 N ATOM 494 C4 DC B 8 -0.513 -11.097 2.092 1.00 0.00 C ATOM 495 N4 DC B 8 -0.572 -11.030 0.759 1.00 0.00 N ATOM 496 C5 DC B 8 0.752 -11.288 2.740 1.00 0.00 C ATOM 497 C6 DC B 8 0.751 -11.277 4.093 1.00 0.00 C ATOM 0 H5' DC B 8 2.814 -9.536 8.444 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.843 -11.031 9.358 1.00 0.00 H new ATOM 0 H4' DC B 8 0.583 -10.284 8.834 1.00 0.00 H new ATOM 0 H3' DC B 8 1.588 -12.976 8.048 1.00 0.00 H new ATOM 0 H2' DC B 8 0.205 -13.157 6.162 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.176 -12.856 7.197 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.185 -13.575 9.296 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.259 -10.564 6.625 1.00 0.00 H new ATOM 0 H41 DC B 8 0.277 -11.138 0.205 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.467 -10.871 0.296 1.00 0.00 H new ATOM 0 H5 DC B 8 1.661 -11.434 2.176 1.00 0.00 H new ATOM 0 H6 DC B 8 1.685 -11.413 4.618 1.00 0.00 H new TER 510 DC B 8