USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 263 hydrogens (81 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: B 21 DAGHN41 : B 21 DAG N4 : B 22 TMR O1 :(H bumps) USER MOD NoAdj-H: A 25 DPA H1 : A 25 DPA C1 : B 24 DLF O3 :(H bumps) USER MOD NoAdj-H: B 26 MTC H92 : B 26 MTC C9 : B 24 DLF O1 :(H bumps) USER MOD NoAdj-H: B 26 MTC H12 : B 26 MTC C1 : B 21 DAG O1 :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl -30:sc= -3.13! (180deg=-3.83!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.826) USER MOD Single : B 18 DG O3' : rot 180:sc= 0 USER MOD Single : B 21 DAG O3 : rot -69:sc= 0.383 USER MOD Single : B 22 TMR C7 :methyl 157:sc= 0 (180deg=-0.0839) USER MOD Single : B 22 TMR O3 : rot 127:sc= 1.31 USER MOD Single : B 24 DLF O4 : rot 89:sc= 1.09 USER MOD Single : B 26 MTC C16 :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 26 MTC O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.023 -2.543 -19.768 1.00 0.00 O ATOM 2 C5' DC A 1 3.078 -3.080 -18.441 1.00 0.00 C ATOM 3 C4' DC A 1 3.207 -1.968 -17.372 1.00 0.00 C ATOM 4 O4' DC A 1 1.888 -1.341 -17.118 1.00 0.00 O ATOM 5 C3' DC A 1 3.690 -2.477 -15.999 1.00 0.00 C ATOM 6 O3' DC A 1 4.789 -1.708 -15.440 1.00 0.00 O ATOM 7 C2' DC A 1 2.448 -2.364 -15.116 1.00 0.00 C ATOM 8 C1' DC A 1 1.680 -1.191 -15.710 1.00 0.00 C ATOM 9 N1 DC A 1 0.195 -1.141 -15.407 1.00 0.00 N ATOM 10 C2 DC A 1 -0.382 0.022 -14.782 1.00 0.00 C ATOM 11 O2 DC A 1 0.282 1.013 -14.439 1.00 0.00 O ATOM 12 N3 DC A 1 -1.734 0.073 -14.565 1.00 0.00 N ATOM 13 C4 DC A 1 -2.521 -0.977 -14.883 1.00 0.00 C ATOM 14 N4 DC A 1 -3.847 -0.963 -14.646 1.00 0.00 N ATOM 15 C5 DC A 1 -1.972 -2.150 -15.484 1.00 0.00 C ATOM 16 C6 DC A 1 -0.662 -2.179 -15.744 1.00 0.00 C ATOM 0 H5' DC A 1 3.925 -3.761 -18.360 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.179 -3.665 -18.249 1.00 0.00 H new ATOM 0 H4' DC A 1 3.939 -1.274 -17.784 1.00 0.00 H new ATOM 0 H3' DC A 1 4.090 -3.488 -16.077 1.00 0.00 H new ATOM 0 H2' DC A 1 1.858 -3.280 -15.138 1.00 0.00 H new ATOM 0 H2'' DC A 1 2.714 -2.181 -14.075 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.943 -3.275 -20.414 1.00 0.00 H new ATOM 0 H1' DC A 1 2.044 -0.260 -15.275 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.418 -1.770 -14.896 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.280 -0.145 -14.216 1.00 0.00 H new ATOM 0 H5 DC A 1 -2.601 -2.994 -15.723 1.00 0.00 H new ATOM 0 H6 DC A 1 -0.252 -3.048 -16.238 1.00 0.00 H new ATOM 29 P DG A 2 6.287 -2.306 -15.331 1.00 0.00 P ATOM 30 OP1 DG A 2 7.149 -1.701 -16.370 1.00 0.00 O ATOM 31 OP2 DG A 2 6.257 -3.789 -15.315 1.00 0.00 O ATOM 32 O5' DG A 2 6.807 -1.830 -13.910 1.00 0.00 O ATOM 33 C5' DG A 2 7.016 -0.554 -13.248 1.00 0.00 C ATOM 34 C4' DG A 2 6.421 -0.501 -11.818 1.00 0.00 C ATOM 35 O4' DG A 2 4.944 -0.394 -11.888 1.00 0.00 O ATOM 36 C3' DG A 2 6.717 -1.746 -10.951 1.00 0.00 C ATOM 37 O3' DG A 2 7.205 -1.481 -9.619 1.00 0.00 O ATOM 38 C2' DG A 2 5.360 -2.440 -10.862 1.00 0.00 C ATOM 39 C1' DG A 2 4.360 -1.267 -10.928 1.00 0.00 C ATOM 40 N9 DG A 2 2.938 -1.610 -11.309 1.00 0.00 N ATOM 41 C8 DG A 2 2.436 -2.844 -11.662 1.00 0.00 C ATOM 42 N7 DG A 2 1.131 -2.896 -11.831 1.00 0.00 N ATOM 43 C5 DG A 2 0.708 -1.609 -11.571 1.00 0.00 C ATOM 44 C6 DG A 2 -0.603 -1.087 -11.579 1.00 0.00 C ATOM 45 O6 DG A 2 -1.630 -1.713 -11.851 1.00 0.00 O ATOM 46 N1 DG A 2 -0.650 0.250 -11.231 1.00 0.00 N ATOM 47 C2 DG A 2 0.434 1.035 -10.948 1.00 0.00 C ATOM 48 N2 DG A 2 0.076 2.285 -10.690 1.00 0.00 N ATOM 49 N3 DG A 2 1.701 0.558 -10.947 1.00 0.00 N ATOM 50 C4 DG A 2 1.784 -0.772 -11.252 1.00 0.00 C ATOM 0 H5' DG A 2 6.569 0.237 -13.850 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.085 -0.350 -13.197 1.00 0.00 H new ATOM 0 H4' DG A 2 6.896 0.365 -11.357 1.00 0.00 H new ATOM 0 H3' DG A 2 7.521 -2.325 -11.406 1.00 0.00 H new ATOM 0 H2' DG A 2 5.212 -3.142 -11.683 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.257 -3.006 -9.936 1.00 0.00 H new ATOM 0 H1' DG A 2 4.227 -0.846 -9.932 1.00 0.00 H new ATOM 0 H8 DG A 2 3.069 -3.709 -11.791 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.570 0.688 -11.181 1.00 0.00 H new ATOM 0 H21 DG A 2 0.785 2.982 -10.462 1.00 0.00 H new ATOM 0 H22 DG A 2 -0.909 2.550 -10.719 1.00 0.00 H new ATOM 62 P DG A 3 8.563 -1.916 -8.908 1.00 0.00 P ATOM 63 OP1 DG A 3 9.643 -0.922 -9.106 1.00 0.00 O ATOM 64 OP2 DG A 3 8.881 -3.317 -9.285 1.00 0.00 O ATOM 65 O5' DG A 3 8.050 -1.974 -7.391 1.00 0.00 O ATOM 66 C5' DG A 3 7.636 -0.834 -6.592 1.00 0.00 C ATOM 67 C4' DG A 3 7.015 -1.118 -5.208 1.00 0.00 C ATOM 68 O4' DG A 3 5.577 -1.419 -5.331 1.00 0.00 O ATOM 69 C3' DG A 3 7.621 -2.242 -4.324 1.00 0.00 C ATOM 70 O3' DG A 3 7.893 -1.844 -2.955 1.00 0.00 O ATOM 71 C2' DG A 3 6.482 -3.295 -4.272 1.00 0.00 C ATOM 72 C1' DG A 3 5.223 -2.408 -4.380 1.00 0.00 C ATOM 73 N9 DG A 3 3.890 -3.023 -4.701 1.00 0.00 N ATOM 74 C8 DG A 3 3.573 -4.289 -5.145 1.00 0.00 C ATOM 75 N7 DG A 3 2.271 -4.553 -5.189 1.00 0.00 N ATOM 76 C5 DG A 3 1.674 -3.361 -4.786 1.00 0.00 C ATOM 77 C6 DG A 3 0.299 -3.016 -4.674 1.00 0.00 C ATOM 78 O6 DG A 3 -0.660 -3.774 -4.861 1.00 0.00 O ATOM 79 N1 DG A 3 0.108 -1.684 -4.310 1.00 0.00 N ATOM 80 C2 DG A 3 1.105 -0.786 -4.030 1.00 0.00 C ATOM 81 N2 DG A 3 0.640 0.430 -3.776 1.00 0.00 N ATOM 82 N3 DG A 3 2.405 -1.126 -4.052 1.00 0.00 N ATOM 83 C4 DG A 3 2.639 -2.402 -4.470 1.00 0.00 C ATOM 0 H5' DG A 3 6.913 -0.261 -7.173 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.506 -0.194 -6.445 1.00 0.00 H new ATOM 0 H4' DG A 3 7.244 -0.185 -4.693 1.00 0.00 H new ATOM 0 H3' DG A 3 8.575 -2.567 -4.739 1.00 0.00 H new ATOM 0 H2' DG A 3 6.549 -4.010 -5.092 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.499 -3.869 -3.346 1.00 0.00 H new ATOM 0 H1' DG A 3 5.003 -2.055 -3.373 1.00 0.00 H new ATOM 0 H8 DG A 3 4.324 -5.010 -5.434 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.854 -1.350 -4.247 1.00 0.00 H new ATOM 0 H21 DG A 3 1.286 1.187 -3.553 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.364 0.608 -3.803 1.00 0.00 H new ATOM 95 P DA A 4 9.278 -1.179 -2.482 1.00 0.00 P ATOM 96 OP1 DA A 4 10.179 -0.909 -3.623 1.00 0.00 O ATOM 97 OP2 DA A 4 9.832 -2.001 -1.375 1.00 0.00 O ATOM 98 O5' DA A 4 8.835 0.202 -1.845 1.00 0.00 O ATOM 99 C5' DA A 4 8.198 1.416 -2.341 1.00 0.00 C ATOM 100 C4' DA A 4 7.041 1.908 -1.452 1.00 0.00 C ATOM 101 O4' DA A 4 5.863 1.036 -1.608 1.00 0.00 O ATOM 102 C3' DA A 4 7.396 1.874 0.056 1.00 0.00 C ATOM 103 O3' DA A 4 6.898 3.022 0.752 1.00 0.00 O ATOM 104 C2' DA A 4 6.593 0.681 0.582 1.00 0.00 C ATOM 105 C1' DA A 4 5.352 0.711 -0.319 1.00 0.00 C ATOM 106 N9 DA A 4 4.539 -0.528 -0.416 1.00 0.00 N ATOM 107 C8 DA A 4 4.940 -1.836 -0.551 1.00 0.00 C ATOM 108 N7 DA A 4 3.962 -2.685 -0.799 1.00 0.00 N ATOM 109 C5 DA A 4 2.827 -1.876 -0.781 1.00 0.00 C ATOM 110 C6 DA A 4 1.456 -2.176 -0.964 1.00 0.00 C ATOM 111 N6 DA A 4 0.994 -3.388 -1.284 1.00 0.00 N ATOM 112 N1 DA A 4 0.570 -1.170 -0.843 1.00 0.00 N ATOM 113 C2 DA A 4 0.995 0.060 -0.582 1.00 0.00 C ATOM 114 N3 DA A 4 2.254 0.482 -0.445 1.00 0.00 N ATOM 115 C4 DA A 4 3.137 -0.556 -0.544 1.00 0.00 C ATOM 0 H5' DA A 4 7.821 1.234 -3.347 1.00 0.00 H new ATOM 0 H5'' DA A 4 8.947 2.204 -2.419 1.00 0.00 H new ATOM 0 H4' DA A 4 6.842 2.931 -1.770 1.00 0.00 H new ATOM 0 H3' DA A 4 8.476 1.830 0.197 1.00 0.00 H new ATOM 0 H2' DA A 4 7.143 -0.255 0.488 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.336 0.795 1.635 1.00 0.00 H new ATOM 0 H1' DA A 4 4.648 1.421 0.116 1.00 0.00 H new ATOM 0 H8 DA A 4 5.972 -2.143 -0.461 1.00 0.00 H new ATOM 0 H61 DA A 4 -0.008 -3.537 -1.401 1.00 0.00 H new ATOM 0 H62 DA A 4 1.643 -4.164 -1.411 1.00 0.00 H new ATOM 0 H2 DA A 4 0.228 0.812 -0.466 1.00 0.00 H new ATOM 127 P DT A 5 7.536 4.358 1.271 1.00 0.00 P ATOM 128 OP1 DT A 5 8.350 4.952 0.187 1.00 0.00 O ATOM 129 OP2 DT A 5 8.219 4.089 2.566 1.00 0.00 O ATOM 130 O5' DT A 5 6.233 5.245 1.494 1.00 0.00 O ATOM 131 C5' DT A 5 5.201 5.551 0.503 1.00 0.00 C ATOM 132 C4' DT A 5 3.742 5.564 1.018 1.00 0.00 C ATOM 133 O4' DT A 5 3.232 4.174 1.066 1.00 0.00 O ATOM 134 C3' DT A 5 3.568 6.152 2.432 1.00 0.00 C ATOM 135 O3' DT A 5 2.521 7.153 2.532 1.00 0.00 O ATOM 136 C2' DT A 5 3.249 4.887 3.260 1.00 0.00 C ATOM 137 C1' DT A 5 2.525 3.944 2.280 1.00 0.00 C ATOM 138 N1 DT A 5 2.653 2.468 2.616 1.00 0.00 N ATOM 139 C2 DT A 5 1.485 1.639 2.593 1.00 0.00 C ATOM 140 O2 DT A 5 0.339 2.012 2.385 1.00 0.00 O ATOM 141 N3 DT A 5 1.699 0.292 2.840 1.00 0.00 N ATOM 142 C4 DT A 5 2.899 -0.313 3.129 1.00 0.00 C ATOM 143 O4 DT A 5 2.930 -1.536 3.227 1.00 0.00 O ATOM 144 C5 DT A 5 4.043 0.581 3.257 1.00 0.00 C ATOM 145 C7 DT A 5 5.347 -0.010 3.724 1.00 0.00 C ATOM 146 C6 DT A 5 3.886 1.888 2.939 1.00 0.00 C ATOM 0 H5' DT A 5 5.273 4.821 -0.303 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.420 6.527 0.070 1.00 0.00 H new ATOM 0 H4' DT A 5 3.195 6.201 0.323 1.00 0.00 H new ATOM 0 H3' DT A 5 4.446 6.703 2.769 1.00 0.00 H new ATOM 0 H2' DT A 5 4.159 4.430 3.649 1.00 0.00 H new ATOM 0 H2'' DT A 5 2.620 5.124 4.118 1.00 0.00 H new ATOM 0 H1' DT A 5 1.454 4.146 2.275 1.00 0.00 H new ATOM 0 H3 DT A 5 0.880 -0.314 2.803 1.00 0.00 H new ATOM 0 H71 DT A 5 5.148 -0.857 4.381 1.00 0.00 H new ATOM 0 H72 DT A 5 5.923 -0.347 2.862 1.00 0.00 H new ATOM 0 H73 DT A 5 5.915 0.745 4.267 1.00 0.00 H new ATOM 0 H6 DT A 5 4.762 2.519 2.934 1.00 0.00 H new ATOM 159 P DC A 6 2.326 8.217 3.725 1.00 0.00 P ATOM 160 OP1 DC A 6 1.574 9.401 3.243 1.00 0.00 O ATOM 161 OP2 DC A 6 3.665 8.538 4.300 1.00 0.00 O ATOM 162 O5' DC A 6 1.421 7.433 4.795 1.00 0.00 O ATOM 163 C5' DC A 6 0.107 6.912 4.429 1.00 0.00 C ATOM 164 C4' DC A 6 -0.610 5.974 5.414 1.00 0.00 C ATOM 165 O4' DC A 6 -0.162 4.587 5.198 1.00 0.00 O ATOM 166 C3' DC A 6 -0.569 6.225 6.939 1.00 0.00 C ATOM 167 O3' DC A 6 -1.840 6.169 7.591 1.00 0.00 O ATOM 168 C2' DC A 6 0.213 5.008 7.449 1.00 0.00 C ATOM 169 C1' DC A 6 -0.128 3.890 6.426 1.00 0.00 C ATOM 170 N1 DC A 6 0.904 2.794 6.315 1.00 0.00 N ATOM 171 C2 DC A 6 0.525 1.403 6.427 1.00 0.00 C ATOM 172 O2 DC A 6 -0.651 1.006 6.467 1.00 0.00 O ATOM 173 N3 DC A 6 1.509 0.450 6.527 1.00 0.00 N ATOM 174 C4 DC A 6 2.799 0.812 6.523 1.00 0.00 C ATOM 175 N4 DC A 6 3.735 -0.119 6.717 1.00 0.00 N ATOM 176 C5 DC A 6 3.203 2.163 6.325 1.00 0.00 C ATOM 177 C6 DC A 6 2.256 3.095 6.228 1.00 0.00 C ATOM 0 H5' DC A 6 0.212 6.381 3.483 1.00 0.00 H new ATOM 0 H5'' DC A 6 -0.548 7.764 4.246 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.646 6.194 5.155 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.164 7.218 7.136 1.00 0.00 H new ATOM 0 H2' DC A 6 1.284 5.206 7.482 1.00 0.00 H new ATOM 0 H2'' DC A 6 -0.091 4.732 8.459 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.045 3.382 6.723 1.00 0.00 H new ATOM 0 H41 DC A 6 4.721 0.141 6.717 1.00 0.00 H new ATOM 0 H42 DC A 6 3.464 -1.091 6.866 1.00 0.00 H new ATOM 0 H5 DC A 6 4.248 2.425 6.255 1.00 0.00 H new ATOM 0 H6 DC A 6 2.551 4.123 6.076 1.00 0.00 H new ATOM 189 P DC A 7 -3.009 6.808 8.466 1.00 0.00 P ATOM 190 OP1 DC A 7 -3.525 8.040 7.862 1.00 0.00 O ATOM 191 OP2 DC A 7 -2.527 6.905 9.865 1.00 0.00 O ATOM 192 O5' DC A 7 -4.151 5.648 8.393 1.00 0.00 O ATOM 193 C5' DC A 7 -3.708 4.269 8.200 1.00 0.00 C ATOM 194 C4' DC A 7 -4.609 3.134 8.629 1.00 0.00 C ATOM 195 O4' DC A 7 -3.753 1.941 8.560 1.00 0.00 O ATOM 196 C3' DC A 7 -5.053 3.238 10.100 1.00 0.00 C ATOM 197 O3' DC A 7 -6.397 2.777 10.335 1.00 0.00 O ATOM 198 C2' DC A 7 -3.994 2.401 10.856 1.00 0.00 C ATOM 199 C1' DC A 7 -3.586 1.325 9.832 1.00 0.00 C ATOM 200 N1 DC A 7 -2.111 0.962 9.915 1.00 0.00 N ATOM 201 C2 DC A 7 -1.711 -0.423 9.980 1.00 0.00 C ATOM 202 O2 DC A 7 -2.515 -1.365 10.064 1.00 0.00 O ATOM 203 N3 DC A 7 -0.376 -0.743 9.957 1.00 0.00 N ATOM 204 C4 DC A 7 0.542 0.225 9.875 1.00 0.00 C ATOM 205 N4 DC A 7 1.829 -0.102 9.807 1.00 0.00 N ATOM 206 C5 DC A 7 0.199 1.600 9.839 1.00 0.00 C ATOM 207 C6 DC A 7 -1.094 1.928 9.848 1.00 0.00 C ATOM 0 H5' DC A 7 -2.761 4.153 8.728 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.499 4.138 7.138 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.501 3.127 8.003 1.00 0.00 H new ATOM 0 H3' DC A 7 -5.097 4.273 10.438 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.142 3.010 11.158 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.406 1.957 11.762 1.00 0.00 H new ATOM 0 H1' DC A 7 -4.177 0.426 10.008 1.00 0.00 H new ATOM 0 H41 DC A 7 2.538 0.628 9.744 1.00 0.00 H new ATOM 0 H42 DC A 7 2.107 -1.083 9.818 1.00 0.00 H new ATOM 0 H5 DC A 7 0.964 2.362 9.805 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.368 2.972 9.802 1.00 0.00 H new ATOM 219 P DG A 8 -7.604 3.633 10.927 1.00 0.00 P ATOM 220 OP1 DG A 8 -8.523 4.035 9.834 1.00 0.00 O ATOM 221 OP2 DG A 8 -7.061 4.758 11.734 1.00 0.00 O ATOM 222 O5' DG A 8 -8.355 2.606 11.905 1.00 0.00 O ATOM 223 C5' DG A 8 -8.877 1.282 11.576 1.00 0.00 C ATOM 224 C4' DG A 8 -8.447 0.143 12.540 1.00 0.00 C ATOM 225 O4' DG A 8 -6.976 0.032 12.615 1.00 0.00 O ATOM 226 C3' DG A 8 -8.941 0.292 13.994 1.00 0.00 C ATOM 227 O3' DG A 8 -9.520 -0.919 14.489 1.00 0.00 O ATOM 228 C2' DG A 8 -7.653 0.608 14.772 1.00 0.00 C ATOM 229 C1' DG A 8 -6.581 -0.158 13.971 1.00 0.00 C ATOM 230 N9 DG A 8 -5.155 0.301 14.090 1.00 0.00 N ATOM 231 C8 DG A 8 -4.679 1.575 14.279 1.00 0.00 C ATOM 232 N7 DG A 8 -3.361 1.691 14.179 1.00 0.00 N ATOM 233 C5 DG A 8 -2.926 0.413 13.859 1.00 0.00 C ATOM 234 C6 DG A 8 -1.615 -0.062 13.584 1.00 0.00 C ATOM 235 O6 DG A 8 -0.586 0.621 13.526 1.00 0.00 O ATOM 236 N1 DG A 8 -1.583 -1.433 13.363 1.00 0.00 N ATOM 237 C2 DG A 8 -2.674 -2.259 13.358 1.00 0.00 C ATOM 238 N2 DG A 8 -2.358 -3.527 13.138 1.00 0.00 N ATOM 239 N3 DG A 8 -3.925 -1.812 13.570 1.00 0.00 N ATOM 240 C4 DG A 8 -3.999 -0.478 13.823 1.00 0.00 C ATOM 0 H5' DG A 8 -8.556 1.023 10.567 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.966 1.332 11.561 1.00 0.00 H new ATOM 0 H4' DG A 8 -8.914 -0.740 12.104 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.717 1.052 14.087 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.449 1.678 14.802 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.709 0.266 15.805 1.00 0.00 H new ATOM 0 HO3' DG A 8 -9.819 -0.785 15.413 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.555 -1.178 14.356 1.00 0.00 H new ATOM 0 H8 DG A 8 -5.325 2.414 14.492 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.672 -1.859 13.190 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.089 -4.238 13.112 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.384 -3.792 12.995 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 11 6.324 -6.469 15.847 1.00 0.00 O ATOM 255 C5' DC B 11 6.005 -6.790 14.486 1.00 0.00 C ATOM 256 C4' DC B 11 4.506 -7.101 14.293 1.00 0.00 C ATOM 257 O4' DC B 11 3.728 -5.858 14.432 1.00 0.00 O ATOM 258 C3' DC B 11 4.194 -7.653 12.881 1.00 0.00 C ATOM 259 O3' DC B 11 3.242 -8.748 12.889 1.00 0.00 O ATOM 260 C2' DC B 11 3.591 -6.444 12.173 1.00 0.00 C ATOM 261 C1' DC B 11 2.879 -5.677 13.298 1.00 0.00 C ATOM 262 N1 DC B 11 2.717 -4.204 13.035 1.00 0.00 N ATOM 263 C2 DC B 11 1.404 -3.626 12.934 1.00 0.00 C ATOM 264 O2 DC B 11 0.367 -4.301 12.873 1.00 0.00 O ATOM 265 N3 DC B 11 1.268 -2.263 12.909 1.00 0.00 N ATOM 266 C4 DC B 11 2.348 -1.479 12.998 1.00 0.00 C ATOM 267 N4 DC B 11 2.195 -0.151 13.089 1.00 0.00 N ATOM 268 C5 DC B 11 3.672 -2.026 13.035 1.00 0.00 C ATOM 269 C6 DC B 11 3.808 -3.358 13.035 1.00 0.00 C ATOM 0 H5' DC B 11 6.596 -7.650 14.170 1.00 0.00 H new ATOM 0 H5'' DC B 11 6.286 -5.956 13.843 1.00 0.00 H new ATOM 0 H4' DC B 11 4.244 -7.847 15.043 1.00 0.00 H new ATOM 0 H3' DC B 11 5.084 -8.066 12.406 1.00 0.00 H new ATOM 0 H2' DC B 11 4.360 -5.834 11.698 1.00 0.00 H new ATOM 0 H2'' DC B 11 2.894 -6.745 11.391 1.00 0.00 H new ATOM 0 HO5' DC B 11 7.283 -6.281 15.923 1.00 0.00 H new ATOM 0 H1' DC B 11 1.863 -6.054 13.419 1.00 0.00 H new ATOM 0 H41 DC B 11 3.014 0.453 13.157 1.00 0.00 H new ATOM 0 H42 DC B 11 1.260 0.256 13.090 1.00 0.00 H new ATOM 0 H5 DC B 11 4.538 -1.381 13.062 1.00 0.00 H new ATOM 0 H6 DC B 11 4.801 -3.783 13.035 1.00 0.00 H new ATOM 282 P DG B 12 3.446 -10.308 13.190 1.00 0.00 P ATOM 283 OP1 DG B 12 2.994 -10.537 14.584 1.00 0.00 O ATOM 284 OP2 DG B 12 4.826 -10.742 12.887 1.00 0.00 O ATOM 285 O5' DG B 12 2.410 -11.047 12.204 1.00 0.00 O ATOM 286 C5' DG B 12 2.514 -11.266 10.764 1.00 0.00 C ATOM 287 C4' DG B 12 1.392 -10.570 9.953 1.00 0.00 C ATOM 288 O4' DG B 12 1.463 -9.115 10.095 1.00 0.00 O ATOM 289 C3' DG B 12 1.489 -10.857 8.434 1.00 0.00 C ATOM 290 O3' DG B 12 0.192 -10.795 7.797 1.00 0.00 O ATOM 291 C2' DG B 12 2.170 -9.572 7.919 1.00 0.00 C ATOM 292 C1' DG B 12 1.512 -8.517 8.813 1.00 0.00 C ATOM 293 N9 DG B 12 2.116 -7.186 8.893 1.00 0.00 N ATOM 294 C8 DG B 12 3.430 -6.864 8.838 1.00 0.00 C ATOM 295 N7 DG B 12 3.674 -5.569 8.968 1.00 0.00 N ATOM 296 C5 DG B 12 2.417 -5.009 9.151 1.00 0.00 C ATOM 297 C6 DG B 12 2.047 -3.671 9.377 1.00 0.00 C ATOM 298 O6 DG B 12 2.825 -2.724 9.496 1.00 0.00 O ATOM 299 N1 DG B 12 0.669 -3.500 9.487 1.00 0.00 N ATOM 300 C2 DG B 12 -0.259 -4.508 9.420 1.00 0.00 C ATOM 301 N2 DG B 12 -1.509 -4.073 9.511 1.00 0.00 N ATOM 302 N3 DG B 12 0.088 -5.791 9.252 1.00 0.00 N ATOM 303 C4 DG B 12 1.429 -5.981 9.107 1.00 0.00 C ATOM 0 H5' DG B 12 2.486 -12.337 10.564 1.00 0.00 H new ATOM 0 H5'' DG B 12 3.481 -10.902 10.418 1.00 0.00 H new ATOM 0 H4' DG B 12 0.461 -10.971 10.354 1.00 0.00 H new ATOM 0 H3' DG B 12 1.960 -11.822 8.246 1.00 0.00 H new ATOM 0 H2' DG B 12 3.253 -9.601 8.043 1.00 0.00 H new ATOM 0 H2'' DG B 12 1.974 -9.397 6.861 1.00 0.00 H new ATOM 0 H1' DG B 12 0.549 -8.276 8.364 1.00 0.00 H new ATOM 0 H8 DG B 12 4.210 -7.598 8.700 1.00 0.00 H new ATOM 0 H1 DG B 12 0.323 -2.551 9.628 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.284 -4.736 9.473 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.695 -3.076 9.619 1.00 0.00 H new ATOM 315 P DG B 13 -1.296 -11.252 7.626 1.00 0.00 P ATOM 316 OP1 DG B 13 -1.776 -11.932 8.852 1.00 0.00 O ATOM 317 OP2 DG B 13 -1.479 -11.984 6.351 1.00 0.00 O ATOM 318 O5' DG B 13 -1.940 -9.796 7.607 1.00 0.00 O ATOM 319 C5' DG B 13 -3.124 -9.122 7.126 1.00 0.00 C ATOM 320 C4' DG B 13 -2.915 -8.279 5.849 1.00 0.00 C ATOM 321 O4' DG B 13 -1.952 -7.195 6.090 1.00 0.00 O ATOM 322 C3' DG B 13 -2.384 -9.064 4.626 1.00 0.00 C ATOM 323 O3' DG B 13 -3.142 -8.822 3.406 1.00 0.00 O ATOM 324 C2' DG B 13 -0.951 -8.526 4.469 1.00 0.00 C ATOM 325 C1' DG B 13 -1.083 -7.088 4.971 1.00 0.00 C ATOM 326 N9 DG B 13 0.164 -6.332 5.312 1.00 0.00 N ATOM 327 C8 DG B 13 1.469 -6.709 5.154 1.00 0.00 C ATOM 328 N7 DG B 13 2.357 -5.740 5.344 1.00 0.00 N ATOM 329 C5 DG B 13 1.576 -4.631 5.651 1.00 0.00 C ATOM 330 C6 DG B 13 1.952 -3.294 5.949 1.00 0.00 C ATOM 331 O6 DG B 13 3.104 -2.858 6.041 1.00 0.00 O ATOM 332 N1 DG B 13 0.852 -2.466 6.158 1.00 0.00 N ATOM 333 C2 DG B 13 -0.454 -2.861 6.113 1.00 0.00 C ATOM 334 N2 DG B 13 -1.302 -1.876 6.365 1.00 0.00 N ATOM 335 N3 DG B 13 -0.814 -4.117 5.859 1.00 0.00 N ATOM 336 C4 DG B 13 0.223 -4.962 5.632 1.00 0.00 C ATOM 0 H5' DG B 13 -3.501 -8.472 7.916 1.00 0.00 H new ATOM 0 H5'' DG B 13 -3.895 -9.867 6.931 1.00 0.00 H new ATOM 0 H4' DG B 13 -3.915 -7.913 5.617 1.00 0.00 H new ATOM 0 H3' DG B 13 -2.455 -10.140 4.783 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.235 -9.098 5.059 1.00 0.00 H new ATOM 0 H2'' DG B 13 -0.614 -8.565 3.433 1.00 0.00 H new ATOM 0 H1' DG B 13 -1.451 -6.476 4.148 1.00 0.00 H new ATOM 0 H8 DG B 13 1.755 -7.717 4.895 1.00 0.00 H new ATOM 0 H1 DG B 13 1.037 -1.484 6.361 1.00 0.00 H new ATOM 0 H21 DG B 13 -2.306 -2.054 6.359 1.00 0.00 H new ATOM 0 H22 DG B 13 -0.951 -0.940 6.565 1.00 0.00 H new ATOM 348 P DA B 14 -4.502 -9.604 3.046 1.00 0.00 P ATOM 349 OP1 DA B 14 -4.757 -10.692 4.025 1.00 0.00 O ATOM 350 OP2 DA B 14 -4.421 -10.008 1.625 1.00 0.00 O ATOM 351 O5' DA B 14 -5.680 -8.531 3.148 1.00 0.00 O ATOM 352 C5' DA B 14 -6.260 -7.700 4.198 1.00 0.00 C ATOM 353 C4' DA B 14 -6.203 -6.174 3.921 1.00 0.00 C ATOM 354 O4' DA B 14 -4.805 -5.696 3.818 1.00 0.00 O ATOM 355 C3' DA B 14 -6.888 -5.793 2.581 1.00 0.00 C ATOM 356 O3' DA B 14 -7.631 -4.558 2.625 1.00 0.00 O ATOM 357 C2' DA B 14 -5.664 -5.544 1.676 1.00 0.00 C ATOM 358 C1' DA B 14 -4.690 -4.867 2.661 1.00 0.00 C ATOM 359 N9 DA B 14 -3.249 -4.793 2.259 1.00 0.00 N ATOM 360 C8 DA B 14 -2.416 -5.809 1.864 1.00 0.00 C ATOM 361 N7 DA B 14 -1.135 -5.485 1.784 1.00 0.00 N ATOM 362 C5 DA B 14 -1.126 -4.140 2.154 1.00 0.00 C ATOM 363 C6 DA B 14 -0.062 -3.205 2.292 1.00 0.00 C ATOM 364 N6 DA B 14 1.229 -3.561 2.207 1.00 0.00 N ATOM 365 N1 DA B 14 -0.382 -1.916 2.571 1.00 0.00 N ATOM 366 C2 DA B 14 -1.664 -1.597 2.757 1.00 0.00 C ATOM 367 N3 DA B 14 -2.730 -2.402 2.761 1.00 0.00 N ATOM 368 C4 DA B 14 -2.396 -3.676 2.428 1.00 0.00 C ATOM 0 H5' DA B 14 -5.741 -7.906 5.134 1.00 0.00 H new ATOM 0 H5'' DA B 14 -7.301 -7.991 4.340 1.00 0.00 H new ATOM 0 H4' DA B 14 -6.722 -5.712 4.761 1.00 0.00 H new ATOM 0 H3' DA B 14 -7.601 -6.559 2.277 1.00 0.00 H new ATOM 0 H2' DA B 14 -5.259 -6.470 1.269 1.00 0.00 H new ATOM 0 H2'' DA B 14 -5.904 -4.902 0.829 1.00 0.00 H new ATOM 0 H1' DA B 14 -4.961 -3.816 2.766 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.779 -6.800 1.635 1.00 0.00 H new ATOM 0 H61 DA B 14 1.960 -2.857 2.312 1.00 0.00 H new ATOM 0 H62 DA B 14 1.479 -4.535 2.037 1.00 0.00 H new ATOM 0 H2 DA B 14 -1.867 -0.550 2.927 1.00 0.00 H new ATOM 380 P DT B 15 -8.838 -3.853 3.368 1.00 0.00 P ATOM 381 OP1 DT B 15 -8.713 -4.067 4.827 1.00 0.00 O ATOM 382 OP2 DT B 15 -10.135 -4.290 2.784 1.00 0.00 O ATOM 383 O5' DT B 15 -8.619 -2.312 2.980 1.00 0.00 O ATOM 384 C5' DT B 15 -8.534 -1.708 1.648 1.00 0.00 C ATOM 385 C4' DT B 15 -7.542 -0.524 1.606 1.00 0.00 C ATOM 386 O4' DT B 15 -6.187 -1.078 1.515 1.00 0.00 O ATOM 387 C3' DT B 15 -7.667 0.405 0.370 1.00 0.00 C ATOM 388 O3' DT B 15 -7.728 1.841 0.598 1.00 0.00 O ATOM 389 C2' DT B 15 -6.460 0.059 -0.493 1.00 0.00 C ATOM 390 C1' DT B 15 -5.431 -0.375 0.544 1.00 0.00 C ATOM 391 N1 DT B 15 -4.420 -1.326 -0.023 1.00 0.00 N ATOM 392 C2 DT B 15 -3.069 -0.900 -0.155 1.00 0.00 C ATOM 393 O2 DT B 15 -2.591 0.151 0.262 1.00 0.00 O ATOM 394 N3 DT B 15 -2.250 -1.785 -0.823 1.00 0.00 N ATOM 395 C4 DT B 15 -2.595 -3.006 -1.366 1.00 0.00 C ATOM 396 O4 DT B 15 -1.738 -3.651 -1.966 1.00 0.00 O ATOM 397 C5 DT B 15 -3.976 -3.412 -1.171 1.00 0.00 C ATOM 398 C7 DT B 15 -4.436 -4.740 -1.695 1.00 0.00 C ATOM 399 C6 DT B 15 -4.801 -2.580 -0.510 1.00 0.00 C ATOM 0 H5' DT B 15 -9.522 -1.363 1.344 1.00 0.00 H new ATOM 0 H5'' DT B 15 -8.225 -2.465 0.927 1.00 0.00 H new ATOM 0 H4' DT B 15 -7.758 0.062 2.500 1.00 0.00 H new ATOM 0 H3' DT B 15 -8.640 0.217 -0.083 1.00 0.00 H new ATOM 0 H2' DT B 15 -6.683 -0.738 -1.203 1.00 0.00 H new ATOM 0 H2'' DT B 15 -6.116 0.915 -1.073 1.00 0.00 H new ATOM 0 H1' DT B 15 -4.885 0.488 0.925 1.00 0.00 H new ATOM 0 H3 DT B 15 -1.275 -1.505 -0.928 1.00 0.00 H new ATOM 0 H71 DT B 15 -3.858 -5.002 -2.581 1.00 0.00 H new ATOM 0 H72 DT B 15 -4.292 -5.503 -0.930 1.00 0.00 H new ATOM 0 H73 DT B 15 -5.493 -4.682 -1.955 1.00 0.00 H new ATOM 0 H6 DT B 15 -5.819 -2.900 -0.346 1.00 0.00 H new ATOM 412 P DC B 16 -8.943 2.781 0.115 1.00 0.00 P ATOM 413 OP1 DC B 16 -9.107 3.958 1.001 1.00 0.00 O ATOM 414 OP2 DC B 16 -10.171 1.987 -0.125 1.00 0.00 O ATOM 415 O5' DC B 16 -8.451 3.290 -1.330 1.00 0.00 O ATOM 416 C5' DC B 16 -8.042 2.642 -2.580 1.00 0.00 C ATOM 417 C4' DC B 16 -6.881 3.450 -3.187 1.00 0.00 C ATOM 418 O4' DC B 16 -5.666 2.654 -2.927 1.00 0.00 O ATOM 419 C3' DC B 16 -6.903 3.678 -4.715 1.00 0.00 C ATOM 420 O3' DC B 16 -6.764 5.040 -5.224 1.00 0.00 O ATOM 421 C2' DC B 16 -5.842 2.720 -5.252 1.00 0.00 C ATOM 422 C1' DC B 16 -4.851 2.503 -4.085 1.00 0.00 C ATOM 423 N1 DC B 16 -4.430 1.030 -4.027 1.00 0.00 N ATOM 424 C2 DC B 16 -3.048 0.629 -4.139 1.00 0.00 C ATOM 425 O2 DC B 16 -2.100 1.429 -4.126 1.00 0.00 O ATOM 426 N3 DC B 16 -2.742 -0.711 -4.257 1.00 0.00 N ATOM 427 C4 DC B 16 -3.714 -1.625 -4.323 1.00 0.00 C ATOM 428 N4 DC B 16 -3.404 -2.908 -4.546 1.00 0.00 N ATOM 429 C5 DC B 16 -5.088 -1.276 -4.177 1.00 0.00 C ATOM 430 C6 DC B 16 -5.396 0.012 -4.001 1.00 0.00 C ATOM 0 H5' DC B 16 -8.879 2.599 -3.277 1.00 0.00 H new ATOM 0 H5'' DC B 16 -7.731 1.615 -2.391 1.00 0.00 H new ATOM 0 H4' DC B 16 -6.940 4.440 -2.735 1.00 0.00 H new ATOM 0 H3' DC B 16 -7.912 3.480 -5.077 1.00 0.00 H new ATOM 0 H2' DC B 16 -6.289 1.777 -5.568 1.00 0.00 H new ATOM 0 H2'' DC B 16 -5.338 3.141 -6.122 1.00 0.00 H new ATOM 0 H1' DC B 16 -3.987 3.161 -4.174 1.00 0.00 H new ATOM 0 H41 DC B 16 -4.143 -3.610 -4.597 1.00 0.00 H new ATOM 0 H42 DC B 16 -2.429 -3.184 -4.665 1.00 0.00 H new ATOM 0 H5 DC B 16 -5.859 -2.032 -4.208 1.00 0.00 H new ATOM 0 H6 DC B 16 -6.428 0.280 -3.832 1.00 0.00 H new ATOM 442 P DC B 17 -8.197 5.604 -5.798 1.00 0.00 P ATOM 443 OP1 DC B 17 -8.103 7.032 -6.175 1.00 0.00 O ATOM 444 OP2 DC B 17 -9.307 5.290 -4.858 1.00 0.00 O ATOM 445 O5' DC B 17 -8.495 4.715 -7.115 1.00 0.00 O ATOM 446 C5' DC B 17 -8.466 4.819 -8.567 1.00 0.00 C ATOM 447 C4' DC B 17 -7.178 5.439 -9.144 1.00 0.00 C ATOM 448 O4' DC B 17 -6.052 4.497 -8.969 1.00 0.00 O ATOM 449 C3' DC B 17 -7.265 5.716 -10.649 1.00 0.00 C ATOM 450 O3' DC B 17 -6.824 7.031 -11.077 1.00 0.00 O ATOM 451 C2' DC B 17 -6.443 4.587 -11.269 1.00 0.00 C ATOM 452 C1' DC B 17 -5.390 4.232 -10.213 1.00 0.00 C ATOM 453 N1 DC B 17 -5.031 2.757 -10.238 1.00 0.00 N ATOM 454 C2 DC B 17 -3.724 2.320 -10.674 1.00 0.00 C ATOM 455 O2 DC B 17 -2.731 3.064 -10.743 1.00 0.00 O ATOM 456 N3 DC B 17 -3.537 1.011 -11.025 1.00 0.00 N ATOM 457 C4 DC B 17 -4.558 0.151 -10.997 1.00 0.00 C ATOM 458 N4 DC B 17 -4.374 -1.096 -11.438 1.00 0.00 N ATOM 459 C5 DC B 17 -5.846 0.525 -10.523 1.00 0.00 C ATOM 460 C6 DC B 17 -6.033 1.795 -10.133 1.00 0.00 C ATOM 0 H5' DC B 17 -9.318 5.417 -8.892 1.00 0.00 H new ATOM 0 H5'' DC B 17 -8.595 3.823 -8.991 1.00 0.00 H new ATOM 0 H4' DC B 17 -7.035 6.378 -8.609 1.00 0.00 H new ATOM 0 H3' DC B 17 -8.305 5.732 -10.975 1.00 0.00 H new ATOM 0 H2' DC B 17 -7.070 3.727 -11.505 1.00 0.00 H new ATOM 0 H2'' DC B 17 -5.975 4.906 -12.200 1.00 0.00 H new ATOM 0 H1' DC B 17 -4.469 4.792 -10.377 1.00 0.00 H new ATOM 0 H41 DC B 17 -5.146 -1.762 -11.422 1.00 0.00 H new ATOM 0 H42 DC B 17 -3.461 -1.382 -11.791 1.00 0.00 H new ATOM 0 H5 DC B 17 -6.651 -0.194 -10.478 1.00 0.00 H new ATOM 0 H6 DC B 17 -6.991 2.081 -9.725 1.00 0.00 H new ATOM 472 P DG B 18 -7.679 7.921 -12.108 1.00 0.00 P ATOM 473 OP1 DG B 18 -8.901 8.399 -11.410 1.00 0.00 O ATOM 474 OP2 DG B 18 -7.922 7.116 -13.334 1.00 0.00 O ATOM 475 O5' DG B 18 -6.726 9.147 -12.507 1.00 0.00 O ATOM 476 C5' DG B 18 -5.662 9.888 -11.842 1.00 0.00 C ATOM 477 C4' DG B 18 -4.281 9.722 -12.545 1.00 0.00 C ATOM 478 O4' DG B 18 -3.935 8.294 -12.617 1.00 0.00 O ATOM 479 C3' DG B 18 -4.220 10.252 -13.997 1.00 0.00 C ATOM 480 O3' DG B 18 -3.039 11.006 -14.285 1.00 0.00 O ATOM 481 C2' DG B 18 -4.238 8.982 -14.839 1.00 0.00 C ATOM 482 C1' DG B 18 -3.522 7.962 -13.934 1.00 0.00 C ATOM 483 N9 DG B 18 -3.920 6.539 -14.156 1.00 0.00 N ATOM 484 C8 DG B 18 -5.172 6.055 -14.400 1.00 0.00 C ATOM 485 N7 DG B 18 -5.259 4.736 -14.477 1.00 0.00 N ATOM 486 C5 DG B 18 -3.965 4.309 -14.212 1.00 0.00 C ATOM 487 C6 DG B 18 -3.446 2.993 -14.115 1.00 0.00 C ATOM 488 O6 DG B 18 -4.100 1.951 -14.264 1.00 0.00 O ATOM 489 N1 DG B 18 -2.069 2.991 -13.872 1.00 0.00 N ATOM 490 C2 DG B 18 -1.292 4.102 -13.729 1.00 0.00 C ATOM 491 N2 DG B 18 -0.017 3.786 -13.573 1.00 0.00 N ATOM 492 N3 DG B 18 -1.779 5.345 -13.772 1.00 0.00 N ATOM 493 C4 DG B 18 -3.110 5.398 -14.027 1.00 0.00 C ATOM 0 H5' DG B 18 -5.582 9.551 -10.809 1.00 0.00 H new ATOM 0 H5'' DG B 18 -5.925 10.945 -11.813 1.00 0.00 H new ATOM 0 H4' DG B 18 -3.591 10.310 -11.940 1.00 0.00 H new ATOM 0 H3' DG B 18 -5.042 10.941 -14.193 1.00 0.00 H new ATOM 0 H2' DG B 18 -5.255 8.668 -15.076 1.00 0.00 H new ATOM 0 H2'' DG B 18 -3.717 9.118 -15.787 1.00 0.00 H new ATOM 0 HO3' DG B 18 -3.063 11.309 -15.217 1.00 0.00 H new ATOM 0 H1' DG B 18 -2.452 8.021 -14.134 1.00 0.00 H new ATOM 0 H8 DG B 18 -6.029 6.700 -14.521 1.00 0.00 H new ATOM 0 H1 DG B 18 -1.608 2.084 -13.795 1.00 0.00 H new ATOM 0 H21 DG B 18 0.680 4.521 -13.454 1.00 0.00 H new ATOM 0 H22 DG B 18 0.269 2.807 -13.571 1.00 0.00 H new TER 506 DG B 18 HETATM 507 C1 DAG B 21 -3.366 6.939 2.565 1.00 0.00 C HETATM 508 C2 DAG B 21 -4.061 7.623 3.776 1.00 0.00 C HETATM 509 C3 DAG B 21 -4.684 6.513 4.643 1.00 0.00 C HETATM 510 C4 DAG B 21 -5.571 5.588 3.771 1.00 0.00 C HETATM 511 C5 DAG B 21 -4.776 5.041 2.570 1.00 0.00 C HETATM 512 C6 DAG B 21 -5.623 4.210 1.602 1.00 0.00 C HETATM 513 O1 DAG B 21 -2.787 7.803 1.596 1.00 0.00 O HETATM 514 O2 DAG B 21 -3.129 8.390 4.541 1.00 0.00 O HETATM 515 O3 DAG B 21 -5.446 6.959 5.776 1.00 0.00 O HETATM 516 N4 DAG B 21 -6.191 4.594 4.637 1.00 0.00 N HETATM 517 O5 DAG B 21 -4.326 6.169 1.863 1.00 0.00 O HETATM 0 HN42 DAG B 21 -6.816 3.891 4.241 1.00 0.00 H new HETATM 0 HO3 DAG B 21 -4.844 7.354 6.440 1.00 0.00 H new HETATM 0 H63 DAG B 21 -6.045 3.355 2.130 1.00 0.00 H new HETATM 0 H62 DAG B 21 -6.430 4.825 1.205 1.00 0.00 H new HETATM 0 H61 DAG B 21 -4.998 3.858 0.782 1.00 0.00 H new HETATM 0 H5 DAG B 21 -3.985 4.392 2.946 1.00 0.00 H new HETATM 0 H4 DAG B 21 -6.391 6.133 3.304 1.00 0.00 H new HETATM 0 H3 DAG B 21 -3.828 5.980 5.056 1.00 0.00 H new HETATM 0 H2 DAG B 21 -4.828 8.312 3.423 1.00 0.00 H new HETATM 0 H1 DAG B 21 -2.554 6.368 3.016 1.00 0.00 H new HETATM 528 C1 TMR B 22 -5.206 2.447 4.956 1.00 0.00 C HETATM 529 C2 TMR B 22 -3.818 1.836 5.178 1.00 0.00 C HETATM 530 C3 TMR B 22 -3.944 0.325 5.166 1.00 0.00 C HETATM 531 C4 TMR B 22 -5.041 -0.107 6.157 1.00 0.00 C HETATM 532 C5 TMR B 22 -6.376 0.571 5.805 1.00 0.00 C HETATM 533 C6 TMR B 22 -7.503 0.229 6.784 1.00 0.00 C HETATM 534 C7 TMR B 22 -5.180 -2.245 7.943 1.00 0.00 C HETATM 535 O1 TMR B 22 -5.086 3.815 5.231 1.00 0.00 O HETATM 536 O3 TMR B 22 -4.254 -0.019 3.827 1.00 0.00 O HETATM 537 O5 TMR B 22 -6.171 1.964 5.870 1.00 0.00 O HETATM 538 S4 TMR B 22 -5.182 -1.914 6.170 1.00 0.00 S HETATM 0 HO3 TMR B 22 -3.624 -0.699 3.510 1.00 0.00 H new HETATM 0 H73 TMR B 22 -5.655 -3.207 8.134 1.00 0.00 H new HETATM 0 H72 TMR B 22 -4.153 -2.269 8.308 1.00 0.00 H new HETATM 0 H71 TMR B 22 -5.731 -1.459 8.460 1.00 0.00 H new HETATM 0 H63 TMR B 22 -7.671 -0.848 6.784 1.00 0.00 H new HETATM 0 H62 TMR B 22 -7.224 0.552 7.787 1.00 0.00 H new HETATM 0 H61 TMR B 22 -8.417 0.739 6.479 1.00 0.00 H new HETATM 0 H5 TMR B 22 -6.676 0.221 4.817 1.00 0.00 H new HETATM 0 H4 TMR B 22 -4.770 0.213 7.163 1.00 0.00 H new HETATM 0 H3 TMR B 22 -3.033 -0.183 5.482 1.00 0.00 H new HETATM 0 H22 TMR B 22 -3.132 2.164 4.397 1.00 0.00 H new HETATM 0 H21 TMR B 22 -3.404 2.173 6.128 1.00 0.00 H new HETATM 0 H1 TMR B 22 -5.523 2.204 3.942 1.00 0.00 H new HETATM 552 C1 MAT A 23 -3.582 9.687 4.864 1.00 0.00 C HETATM 553 C2 MAT A 23 -2.680 10.393 5.885 1.00 0.00 C HETATM 554 C3 MAT A 23 -1.268 10.555 5.327 1.00 0.00 C HETATM 555 C4 MAT A 23 -1.339 11.355 4.025 1.00 0.00 C HETATM 556 C5 MAT A 23 -2.304 10.631 3.070 1.00 0.00 C HETATM 557 C6 MAT A 23 0.155 12.396 2.285 1.00 0.00 C HETATM 558 C7 MAT A 23 1.565 12.213 1.727 1.00 0.00 C HETATM 559 C8 MAT A 23 -0.129 13.872 2.577 1.00 0.00 C HETATM 560 C9 MAT A 23 0.232 10.445 7.196 1.00 0.00 C HETATM 561 O3 MAT A 23 -0.452 11.247 6.245 1.00 0.00 O HETATM 562 N4 MAT A 23 0.014 11.553 3.479 1.00 0.00 N HETATM 563 O5 MAT A 23 -3.569 10.468 3.685 1.00 0.00 O HETATM 0 HN4 MAT A 23 0.827 11.119 3.916 1.00 0.00 H new HETATM 0 H93 MAT A 23 -0.492 9.891 7.793 1.00 0.00 H new HETATM 0 H92 MAT A 23 0.887 9.744 6.678 1.00 0.00 H new HETATM 0 H91 MAT A 23 0.828 11.083 7.849 1.00 0.00 H new HETATM 0 H83 MAT A 23 0.588 14.243 3.309 1.00 0.00 H new HETATM 0 H82 MAT A 23 -0.039 14.449 1.657 1.00 0.00 H new HETATM 0 H81 MAT A 23 -1.139 13.977 2.973 1.00 0.00 H new HETATM 0 H73 MAT A 23 1.666 12.779 0.801 1.00 0.00 H new HETATM 0 H72 MAT A 23 2.293 12.573 2.454 1.00 0.00 H new HETATM 0 H71 MAT A 23 1.743 11.156 1.528 1.00 0.00 H new HETATM 0 H6 MAT A 23 -0.585 12.084 1.548 1.00 0.00 H new HETATM 0 H52 MAT A 23 -2.411 11.202 2.147 1.00 0.00 H new HETATM 0 H51 MAT A 23 -1.896 9.658 2.797 1.00 0.00 H new HETATM 0 H4 MAT A 23 -1.734 12.358 4.189 1.00 0.00 H new HETATM 0 H3 MAT A 23 -0.841 9.568 5.147 1.00 0.00 H new HETATM 0 H22 MAT A 23 -3.095 11.370 6.131 1.00 0.00 H new HETATM 0 H21 MAT A 23 -2.648 9.818 6.810 1.00 0.00 H new HETATM 583 C1 DLF B 24 -1.049 6.050 -5.634 1.00 0.00 C HETATM 584 C2 DLF B 24 -0.606 4.710 -6.244 1.00 0.00 C HETATM 585 C3 DLF B 24 -1.809 3.847 -6.640 1.00 0.00 C HETATM 586 C4 DLF B 24 -2.795 4.659 -7.543 1.00 0.00 C HETATM 587 C5 DLF B 24 -3.209 5.914 -6.752 1.00 0.00 C HETATM 588 C6 DLF B 24 -4.135 6.867 -7.522 1.00 0.00 C HETATM 589 O1 DLF B 24 -1.568 5.840 -4.341 1.00 0.00 O HETATM 590 O3 DLF B 24 -1.291 2.685 -7.317 1.00 0.00 O HETATM 591 O4 DLF B 24 -2.241 5.038 -8.821 1.00 0.00 O HETATM 592 O5 DLF B 24 -2.054 6.675 -6.410 1.00 0.00 O HETATM 0 HO4 DLF B 24 -2.408 4.327 -9.474 1.00 0.00 H new HETATM 0 H63 DLF B 24 -3.633 7.211 -8.426 1.00 0.00 H new HETATM 0 H62 DLF B 24 -5.052 6.344 -7.793 1.00 0.00 H new HETATM 0 H61 DLF B 24 -4.379 7.724 -6.894 1.00 0.00 H new HETATM 0 H5 DLF B 24 -3.744 5.533 -5.882 1.00 0.00 H new HETATM 0 H4 DLF B 24 -3.647 4.021 -7.778 1.00 0.00 H new HETATM 0 H3 DLF B 24 -2.380 3.540 -5.764 1.00 0.00 H new HETATM 0 H22 DLF B 24 0.014 4.896 -7.121 1.00 0.00 H new HETATM 0 H21 DLF B 24 0.011 4.169 -5.526 1.00 0.00 H new HETATM 0 H1 DLF B 24 -0.170 6.694 -5.604 1.00 0.00 H new HETATM 603 C1 DPA A 25 -2.043 1.594 -7.325 1.00 0.00 C HETATM 604 C2 DPA A 25 -1.400 0.246 -7.501 1.00 0.00 C HETATM 605 C3 DPA A 25 0.080 0.147 -7.530 1.00 0.00 C HETATM 606 C4 DPA A 25 0.733 -1.032 -7.690 1.00 0.00 C HETATM 607 C5 DPA A 25 -0.066 -2.271 -7.843 1.00 0.00 C HETATM 608 C6 DPA A 25 -1.414 -2.176 -7.814 1.00 0.00 C HETATM 609 C7 DPA A 25 -2.131 -0.892 -7.640 1.00 0.00 C HETATM 610 C8 DPA A 25 -4.510 -1.848 -7.656 1.00 0.00 C HETATM 611 C9 DPA A 25 -5.992 -1.514 -7.606 1.00 0.00 C HETATM 612 C10 DPA A 25 -6.880 -2.536 -7.589 1.00 0.00 C HETATM 613 C11 DPA A 25 2.906 -0.082 -7.280 1.00 0.00 C HETATM 614 C12 DPA A 25 -0.120 -4.648 -8.237 1.00 0.00 C HETATM 615 C13 DPA A 25 -7.734 0.155 -7.337 1.00 0.00 C HETATM 616 N7 DPA A 25 -3.614 -0.841 -7.614 1.00 0.00 N HETATM 617 O1 DPA A 25 -3.224 1.724 -7.219 1.00 0.00 O HETATM 618 O4 DPA A 25 2.092 -1.157 -7.720 1.00 0.00 O HETATM 619 O5 DPA A 25 0.603 -3.447 -8.002 1.00 0.00 O HETATM 620 O8 DPA A 25 -4.198 -3.037 -7.732 1.00 0.00 O HETATM 621 O9 DPA A 25 -6.374 -0.189 -7.577 1.00 0.00 O HETATM 0 H133 DPA A 25 -8.362 -0.283 -8.113 1.00 0.00 H new HETATM 0 H132 DPA A 25 -8.040 -0.228 -6.363 1.00 0.00 H new HETATM 0 H131 DPA A 25 -7.843 1.239 -7.351 1.00 0.00 H new HETATM 0 H123 DPA A 25 -0.792 -4.838 -7.400 1.00 0.00 H new HETATM 0 H122 DPA A 25 -0.701 -4.549 -9.154 1.00 0.00 H new HETATM 0 H121 DPA A 25 0.578 -5.479 -8.338 1.00 0.00 H new HETATM 0 H113 DPA A 25 2.706 0.799 -7.890 1.00 0.00 H new HETATM 0 H112 DPA A 25 2.682 0.141 -6.237 1.00 0.00 H new HETATM 0 H111 DPA A 25 3.956 -0.358 -7.375 1.00 0.00 H new HETATM 0 H102 DPA A 25 -7.949 -2.328 -7.553 1.00 0.00 H new HETATM 0 H101 DPA A 25 -6.525 -3.566 -7.611 1.00 0.00 H new HETATM 0 HN7 DPA A 25 -4.015 0.095 -7.556 1.00 0.00 H new HETATM 0 H6 DPA A 25 -2.001 -3.088 -7.924 1.00 0.00 H new HETATM 0 H3 DPA A 25 0.667 1.059 -7.418 1.00 0.00 H new HETATM 636 C1 MTC B 26 -1.551 7.451 0.957 1.00 0.00 C HETATM 637 C2 MTC B 26 -1.285 6.002 1.033 1.00 0.00 C HETATM 638 C3 MTC B 26 -1.398 4.824 0.899 1.00 0.00 C HETATM 639 C4 MTC B 26 -1.757 3.500 0.468 1.00 0.00 C HETATM 640 C5 MTC B 26 -2.455 3.316 -0.679 1.00 0.00 C HETATM 641 C6 MTC B 26 -2.826 4.444 -1.479 1.00 0.00 C HETATM 642 C7 MTC B 26 -2.975 5.504 -1.994 1.00 0.00 C HETATM 643 C8 MTC B 26 -2.910 6.874 -2.497 1.00 0.00 C HETATM 644 C9 MTC B 26 -1.741 7.010 -3.512 1.00 0.00 C HETATM 645 C10 MTC B 26 -0.426 7.446 -2.804 1.00 0.00 C HETATM 646 C11 MTC B 26 -0.371 7.772 -1.314 1.00 0.00 C HETATM 647 C12 MTC B 26 -1.501 7.675 -0.564 1.00 0.00 C HETATM 648 C13 MTC B 26 -2.791 7.803 -1.288 1.00 0.00 C HETATM 649 C14 MTC B 26 -3.812 8.836 -0.958 1.00 0.00 C HETATM 650 C15 MTC B 26 -3.574 9.897 0.083 1.00 0.00 C HETATM 651 C16 MTC B 26 -2.812 15.922 0.890 1.00 0.00 C HETATM 652 C17 MTC B 26 1.599 9.270 -1.005 1.00 0.00 C HETATM 653 C18 MTC B 26 3.543 10.582 -0.535 1.00 0.00 C HETATM 654 O8 MTC B 26 -4.125 7.082 -3.151 1.00 0.00 O HETATM 655 O10 MTC B 26 0.598 7.544 -3.438 1.00 0.00 O HETATM 656 O71 MTC B 26 1.189 10.140 -1.714 1.00 0.00 O HETATM 657 O72 MTC B 26 2.769 9.365 -0.406 1.00 0.00 O HETATM 658 N11 MTC B 26 0.963 8.133 -0.745 1.00 0.00 N HETATM 659 S1 MTC B 26 -3.977 11.549 -0.583 1.00 0.00 S HETATM 660 S2 MTC B 26 -2.925 12.894 0.534 1.00 0.00 S HETATM 661 S3 MTC B 26 -3.570 14.668 -0.191 1.00 0.00 S HETATM 0 H183 MTC B 26 3.767 10.761 -1.587 1.00 0.00 H new HETATM 0 H182 MTC B 26 2.971 11.421 -0.138 1.00 0.00 H new HETATM 0 H181 MTC B 26 4.474 10.482 0.022 1.00 0.00 H new HETATM 0 H163 MTC B 26 -3.114 16.916 0.561 1.00 0.00 H new HETATM 0 H162 MTC B 26 -3.141 15.764 1.917 1.00 0.00 H new HETATM 0 H161 MTC B 26 -1.726 15.838 0.840 1.00 0.00 H new HETATM 0 H152 MTC B 26 -4.184 9.695 0.963 1.00 0.00 H new HETATM 0 H151 MTC B 26 -2.533 9.872 0.405 1.00 0.00 H new HETATM 0 H11A MTC B 26 -0.799 8.037 1.486 1.00 0.00 H new HETATM 0 HO8 MTC B 26 -4.149 7.992 -3.515 1.00 0.00 H new HETATM 0 H91 MTC B 26 -2.004 7.740 -4.277 1.00 0.00 H new HETATM 0 H5 MTC B 26 -2.734 2.310 -0.992 1.00 0.00 H new HETATM 0 H4 MTC B 26 -1.466 2.638 1.068 1.00 0.00 H new HETATM 0 H14 MTC B 26 -4.764 8.823 -1.488 1.00 0.00 H new HETATM 0 H11 MTC B 26 1.413 7.465 -0.119 1.00 0.00 H new