USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 158 hydrogens (22 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 DC O5' : rot 180:sc= -1.73! USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.016 (180deg=-0.016) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.567 USER MOD Single : B 1 DC O5' : rot -28:sc= 0.00518 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.488 (180deg=-1.17) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -126:sc= 0.596 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.111 -1.371 -7.648 1.00 0.00 O ATOM 2 C5' DC A 1 -7.175 -1.217 -8.564 1.00 0.00 C ATOM 3 C4' DC A 1 -8.381 -2.074 -8.172 1.00 0.00 C ATOM 4 O4' DC A 1 -7.961 -3.402 -7.889 1.00 0.00 O ATOM 5 C3' DC A 1 -9.063 -1.535 -6.920 1.00 0.00 C ATOM 6 O3' DC A 1 -10.431 -1.874 -6.985 1.00 0.00 O ATOM 7 C2' DC A 1 -8.335 -2.310 -5.839 1.00 0.00 C ATOM 8 C1' DC A 1 -8.155 -3.667 -6.509 1.00 0.00 C ATOM 9 N1 DC A 1 -6.974 -4.350 -5.945 1.00 0.00 N ATOM 10 C2 DC A 1 -7.127 -5.617 -5.400 1.00 0.00 C ATOM 11 O2 DC A 1 -8.219 -6.185 -5.395 1.00 0.00 O ATOM 12 N3 DC A 1 -6.046 -6.222 -4.825 1.00 0.00 N ATOM 13 C4 DC A 1 -4.856 -5.607 -4.815 1.00 0.00 C ATOM 14 N4 DC A 1 -3.862 -6.155 -4.123 1.00 0.00 N ATOM 15 C5 DC A 1 -4.682 -4.300 -5.360 1.00 0.00 C ATOM 16 C6 DC A 1 -5.767 -3.711 -5.908 1.00 0.00 C ATOM 0 H5' DC A 1 -6.839 -1.495 -9.563 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.471 -0.169 -8.607 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.078 -2.051 -9.010 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.022 -0.456 -6.769 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.381 -1.852 -5.577 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.918 -2.380 -4.921 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.356 -0.812 -7.927 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.017 -4.314 -6.350 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.947 -5.705 -4.101 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.014 -7.026 -3.614 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.724 -3.803 -5.335 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.679 -2.718 -6.324 1.00 0.00 H new ATOM 29 P DG A 2 -11.428 -1.575 -5.760 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.987 -2.381 -4.600 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.816 -1.702 -6.255 1.00 0.00 O ATOM 32 O5' DG A 2 -11.156 -0.025 -5.441 1.00 0.00 O ATOM 33 C5' DG A 2 -11.570 0.501 -4.201 1.00 0.00 C ATOM 34 C4' DG A 2 -10.375 0.983 -3.379 1.00 0.00 C ATOM 35 O4' DG A 2 -9.315 0.049 -3.361 1.00 0.00 O ATOM 36 C3' DG A 2 -9.791 2.304 -3.872 1.00 0.00 C ATOM 37 O3' DG A 2 -10.290 3.319 -3.023 1.00 0.00 O ATOM 38 C2' DG A 2 -8.285 2.080 -3.744 1.00 0.00 C ATOM 39 C1' DG A 2 -8.174 0.779 -2.964 1.00 0.00 C ATOM 40 N9 DG A 2 -6.937 0.053 -3.307 1.00 0.00 N ATOM 41 C8 DG A 2 -6.328 -0.077 -4.525 1.00 0.00 C ATOM 42 N7 DG A 2 -5.293 -0.872 -4.525 1.00 0.00 N ATOM 43 C5 DG A 2 -5.186 -1.275 -3.196 1.00 0.00 C ATOM 44 C6 DG A 2 -4.242 -2.132 -2.552 1.00 0.00 C ATOM 45 O6 DG A 2 -3.301 -2.758 -3.045 1.00 0.00 O ATOM 46 N1 DG A 2 -4.466 -2.235 -1.189 1.00 0.00 N ATOM 47 C2 DG A 2 -5.471 -1.581 -0.510 1.00 0.00 C ATOM 48 N2 DG A 2 -5.568 -1.726 0.806 1.00 0.00 N ATOM 49 N3 DG A 2 -6.362 -0.787 -1.104 1.00 0.00 N ATOM 50 C4 DG A 2 -6.172 -0.683 -2.442 1.00 0.00 C ATOM 0 H5' DG A 2 -12.115 -0.261 -3.643 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.259 1.329 -4.366 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.789 1.114 -2.379 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.044 2.602 -4.890 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.808 2.002 -4.721 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.802 2.904 -3.218 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.129 0.941 -1.887 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.674 0.435 -5.411 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.843 -2.837 -0.650 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.308 -1.247 1.319 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.902 -2.317 1.304 1.00 0.00 H new ATOM 62 P DA A 3 -9.499 4.693 -2.751 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.456 5.692 -2.225 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.654 5.013 -3.922 1.00 0.00 O ATOM 65 O5' DA A 3 -8.553 4.221 -1.542 1.00 0.00 O ATOM 66 C5' DA A 3 -9.143 3.777 -0.338 1.00 0.00 C ATOM 67 C4' DA A 3 -8.089 3.648 0.757 1.00 0.00 C ATOM 68 O4' DA A 3 -7.200 2.571 0.504 1.00 0.00 O ATOM 69 C3' DA A 3 -7.306 4.948 0.833 1.00 0.00 C ATOM 70 O3' DA A 3 -7.441 5.453 2.141 1.00 0.00 O ATOM 71 C2' DA A 3 -5.903 4.492 0.469 1.00 0.00 C ATOM 72 C1' DA A 3 -5.872 3.003 0.731 1.00 0.00 C ATOM 73 N9 DA A 3 -5.010 2.430 -0.308 1.00 0.00 N ATOM 74 C8 DA A 3 -4.979 2.861 -1.601 1.00 0.00 C ATOM 75 N7 DA A 3 -4.118 2.250 -2.362 1.00 0.00 N ATOM 76 C5 DA A 3 -3.523 1.354 -1.480 1.00 0.00 C ATOM 77 C6 DA A 3 -2.481 0.436 -1.647 1.00 0.00 C ATOM 78 N6 DA A 3 -1.914 0.284 -2.837 1.00 0.00 N ATOM 79 N1 DA A 3 -2.057 -0.288 -0.598 1.00 0.00 N ATOM 80 C2 DA A 3 -2.657 -0.101 0.578 1.00 0.00 C ATOM 81 N3 DA A 3 -3.643 0.746 0.872 1.00 0.00 N ATOM 82 C4 DA A 3 -4.045 1.452 -0.218 1.00 0.00 C ATOM 0 H5' DA A 3 -9.630 2.815 -0.498 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.917 4.478 -0.025 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.593 3.445 1.702 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.625 5.761 0.181 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.680 4.710 -0.575 1.00 0.00 H new ATOM 0 H2'' DA A 3 -5.155 5.010 1.070 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.518 2.728 1.725 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.620 3.650 -1.966 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.154 -0.386 -2.958 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.238 0.837 -3.631 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.299 -0.712 1.394 1.00 0.00 H new ATOM 94 P DT A 4 -6.516 6.644 2.683 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.141 7.226 3.890 1.00 0.00 O ATOM 96 OP2 DT A 4 -6.117 7.507 1.548 1.00 0.00 O ATOM 97 O5' DT A 4 -5.264 5.759 3.130 1.00 0.00 O ATOM 98 C5' DT A 4 -5.465 4.703 4.044 1.00 0.00 C ATOM 99 C4' DT A 4 -4.165 3.935 4.215 1.00 0.00 C ATOM 100 O4' DT A 4 -3.786 3.298 3.008 1.00 0.00 O ATOM 101 C3' DT A 4 -3.070 4.927 4.580 1.00 0.00 C ATOM 102 O3' DT A 4 -2.602 4.628 5.872 1.00 0.00 O ATOM 103 C2' DT A 4 -2.036 4.693 3.493 1.00 0.00 C ATOM 104 C1' DT A 4 -2.375 3.316 2.969 1.00 0.00 C ATOM 105 N1 DT A 4 -1.882 3.260 1.588 1.00 0.00 N ATOM 106 C2 DT A 4 -0.839 2.398 1.280 1.00 0.00 C ATOM 107 O2 DT A 4 -0.345 1.635 2.103 1.00 0.00 O ATOM 108 N3 DT A 4 -0.366 2.464 -0.018 1.00 0.00 N ATOM 109 C4 DT A 4 -0.808 3.338 -0.994 1.00 0.00 C ATOM 110 O4 DT A 4 -0.296 3.334 -2.108 1.00 0.00 O ATOM 111 C5 DT A 4 -1.883 4.217 -0.573 1.00 0.00 C ATOM 112 C7 DT A 4 -2.491 5.203 -1.538 1.00 0.00 C ATOM 113 C6 DT A 4 -2.374 4.151 0.681 1.00 0.00 C ATOM 0 H5' DT A 4 -6.249 4.038 3.683 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.798 5.096 5.005 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.305 3.180 4.989 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.372 5.974 4.618 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.101 5.447 2.709 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.022 4.732 3.890 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.947 2.479 3.521 1.00 0.00 H new ATOM 0 H3 DT A 4 0.373 1.811 -0.278 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.536 5.370 -1.277 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.948 6.147 -1.484 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.429 4.806 -2.551 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.173 4.817 0.973 1.00 0.00 H new ATOM 126 P DC A 5 -1.356 5.407 6.516 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.562 5.503 7.977 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.074 6.620 5.717 1.00 0.00 O ATOM 129 O5' DC A 5 -0.191 4.340 6.242 1.00 0.00 O ATOM 130 C5' DC A 5 -0.323 3.037 6.769 1.00 0.00 C ATOM 131 C4' DC A 5 1.025 2.334 6.902 1.00 0.00 C ATOM 132 O4' DC A 5 1.508 1.870 5.654 1.00 0.00 O ATOM 133 C3' DC A 5 2.041 3.310 7.472 1.00 0.00 C ATOM 134 O3' DC A 5 2.887 2.621 8.361 1.00 0.00 O ATOM 135 C2' DC A 5 2.739 3.822 6.219 1.00 0.00 C ATOM 136 C1' DC A 5 2.517 2.734 5.166 1.00 0.00 C ATOM 137 N1 DC A 5 2.079 3.310 3.874 1.00 0.00 N ATOM 138 C2 DC A 5 2.495 2.684 2.710 1.00 0.00 C ATOM 139 O2 DC A 5 3.084 1.607 2.748 1.00 0.00 O ATOM 140 N3 DC A 5 2.342 3.338 1.521 1.00 0.00 N ATOM 141 C4 DC A 5 1.681 4.497 1.471 1.00 0.00 C ATOM 142 N4 DC A 5 1.618 5.130 0.304 1.00 0.00 N ATOM 143 C5 DC A 5 1.083 5.070 2.638 1.00 0.00 C ATOM 144 C6 DC A 5 1.333 4.453 3.818 1.00 0.00 C ATOM 0 H5' DC A 5 -0.976 2.449 6.124 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.803 3.088 7.746 1.00 0.00 H new ATOM 0 H4' DC A 5 0.885 1.476 7.559 1.00 0.00 H new ATOM 0 H3' DC A 5 1.636 4.134 8.059 1.00 0.00 H new ATOM 0 H2' DC A 5 2.320 4.775 5.896 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.802 3.986 6.399 1.00 0.00 H new ATOM 0 H1' DC A 5 3.453 2.204 4.992 1.00 0.00 H new ATOM 0 H41 DC A 5 1.121 6.018 0.231 1.00 0.00 H new ATOM 0 H42 DC A 5 2.067 4.728 -0.519 1.00 0.00 H new ATOM 0 H5 DC A 5 0.462 5.952 2.581 1.00 0.00 H new ATOM 0 H6 DC A 5 0.935 4.872 4.730 1.00 0.00 H new ATOM 156 P DG A 6 3.894 3.418 9.328 1.00 0.00 P ATOM 157 OP1 DG A 6 4.044 2.650 10.584 1.00 0.00 O ATOM 158 OP2 DG A 6 3.491 4.841 9.368 1.00 0.00 O ATOM 159 O5' DG A 6 5.248 3.291 8.496 1.00 0.00 O ATOM 160 C5' DG A 6 5.764 2.007 8.219 1.00 0.00 C ATOM 161 C4' DG A 6 6.923 2.126 7.239 1.00 0.00 C ATOM 162 O4' DG A 6 6.468 2.841 6.109 1.00 0.00 O ATOM 163 C3' DG A 6 8.051 2.916 7.884 1.00 0.00 C ATOM 164 O3' DG A 6 9.295 2.310 7.612 1.00 0.00 O ATOM 165 C2' DG A 6 7.996 4.264 7.207 1.00 0.00 C ATOM 166 C1' DG A 6 7.353 3.918 5.883 1.00 0.00 C ATOM 167 N9 DG A 6 6.586 5.074 5.415 1.00 0.00 N ATOM 168 C8 DG A 6 5.287 5.356 5.697 1.00 0.00 C ATOM 169 N7 DG A 6 4.758 6.270 4.930 1.00 0.00 N ATOM 170 C5 DG A 6 5.826 6.665 4.121 1.00 0.00 C ATOM 171 C6 DG A 6 5.877 7.540 2.994 1.00 0.00 C ATOM 172 O6 DG A 6 4.949 8.106 2.416 1.00 0.00 O ATOM 173 N1 DG A 6 7.159 7.678 2.487 1.00 0.00 N ATOM 174 C2 DG A 6 8.271 7.068 3.012 1.00 0.00 C ATOM 175 N2 DG A 6 9.457 7.408 2.521 1.00 0.00 N ATOM 176 N3 DG A 6 8.223 6.161 3.988 1.00 0.00 N ATOM 177 C4 DG A 6 6.970 5.996 4.483 1.00 0.00 C ATOM 0 H5' DG A 6 4.983 1.372 7.800 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.100 1.532 9.141 1.00 0.00 H new ATOM 0 H4' DG A 6 7.280 1.135 6.959 1.00 0.00 H new ATOM 0 H3' DG A 6 7.945 2.973 8.967 1.00 0.00 H new ATOM 0 H2' DG A 6 7.404 4.983 7.774 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.988 4.698 7.079 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.011 2.831 8.032 1.00 0.00 H new ATOM 0 H1' DG A 6 8.105 3.653 5.140 1.00 0.00 H new ATOM 0 H8 DG A 6 4.739 4.866 6.488 1.00 0.00 H new ATOM 0 H1 DG A 6 7.285 8.273 1.668 1.00 0.00 H new ATOM 0 H21 DG A 6 10.304 6.974 2.888 1.00 0.00 H new ATOM 0 H22 DG A 6 9.521 8.103 1.777 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 11.324 9.220 -4.198 1.00 0.00 O ATOM 191 C5' DC B 1 10.503 8.206 -4.745 1.00 0.00 C ATOM 192 C4' DC B 1 10.790 6.830 -4.139 1.00 0.00 C ATOM 193 O4' DC B 1 10.699 6.854 -2.723 1.00 0.00 O ATOM 194 C3' DC B 1 9.764 5.829 -4.655 1.00 0.00 C ATOM 195 O3' DC B 1 10.267 5.103 -5.753 1.00 0.00 O ATOM 196 C2' DC B 1 9.537 4.948 -3.440 1.00 0.00 C ATOM 197 C1' DC B 1 9.742 5.915 -2.277 1.00 0.00 C ATOM 198 N1 DC B 1 8.453 6.563 -1.941 1.00 0.00 N ATOM 199 C2 DC B 1 8.366 7.348 -0.795 1.00 0.00 C ATOM 200 O2 DC B 1 9.376 7.755 -0.221 1.00 0.00 O ATOM 201 N3 DC B 1 7.132 7.636 -0.282 1.00 0.00 N ATOM 202 C4 DC B 1 6.024 7.216 -0.908 1.00 0.00 C ATOM 203 N4 DC B 1 4.852 7.324 -0.291 1.00 0.00 N ATOM 204 C5 DC B 1 6.098 6.462 -2.116 1.00 0.00 C ATOM 205 C6 DC B 1 7.321 6.161 -2.586 1.00 0.00 C ATOM 0 H5' DC B 1 10.654 8.163 -5.824 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.456 8.461 -4.579 1.00 0.00 H new ATOM 0 H4' DC B 1 11.802 6.547 -4.427 1.00 0.00 H new ATOM 0 H3' DC B 1 8.848 6.285 -5.029 1.00 0.00 H new ATOM 0 H2' DC B 1 8.536 4.516 -3.435 1.00 0.00 H new ATOM 0 H2'' DC B 1 10.243 4.118 -3.405 1.00 0.00 H new ATOM 0 HO5' DC B 1 11.577 8.978 -3.283 1.00 0.00 H new ATOM 0 H1' DC B 1 10.090 5.417 -1.372 1.00 0.00 H new ATOM 0 H41 DC B 1 4.000 7.009 -0.755 1.00 0.00 H new ATOM 0 H42 DC B 1 4.804 7.722 0.647 1.00 0.00 H new ATOM 0 H5 DC B 1 5.205 6.145 -2.634 1.00 0.00 H new ATOM 0 H6 DC B 1 7.409 5.587 -3.497 1.00 0.00 H new ATOM 218 P DG B 2 9.348 4.043 -6.544 1.00 0.00 P ATOM 219 OP1 DG B 2 10.055 3.638 -7.778 1.00 0.00 O ATOM 220 OP2 DG B 2 7.974 4.588 -6.618 1.00 0.00 O ATOM 221 O5' DG B 2 9.329 2.787 -5.543 1.00 0.00 O ATOM 222 C5' DG B 2 10.543 2.196 -5.129 1.00 0.00 C ATOM 223 C4' DG B 2 10.303 1.044 -4.151 1.00 0.00 C ATOM 224 O4' DG B 2 9.462 1.491 -3.099 1.00 0.00 O ATOM 225 C3' DG B 2 9.592 -0.122 -4.832 1.00 0.00 C ATOM 226 O3' DG B 2 9.873 -1.318 -4.135 1.00 0.00 O ATOM 227 C2' DG B 2 8.146 0.294 -4.655 1.00 0.00 C ATOM 228 C1' DG B 2 8.181 0.901 -3.260 1.00 0.00 C ATOM 229 N9 DG B 2 7.119 1.912 -3.121 1.00 0.00 N ATOM 230 C8 DG B 2 6.743 2.883 -4.008 1.00 0.00 C ATOM 231 N7 DG B 2 5.769 3.644 -3.589 1.00 0.00 N ATOM 232 C5 DG B 2 5.457 3.118 -2.337 1.00 0.00 C ATOM 233 C6 DG B 2 4.461 3.497 -1.386 1.00 0.00 C ATOM 234 O6 DG B 2 3.674 4.444 -1.430 1.00 0.00 O ATOM 235 N1 DG B 2 4.429 2.652 -0.288 1.00 0.00 N ATOM 236 C2 DG B 2 5.323 1.628 -0.067 1.00 0.00 C ATOM 237 N2 DG B 2 5.201 0.891 1.028 1.00 0.00 N ATOM 238 N3 DG B 2 6.271 1.281 -0.936 1.00 0.00 N ATOM 239 C4 DG B 2 6.279 2.054 -2.050 1.00 0.00 C ATOM 0 H5' DG B 2 11.173 2.950 -4.657 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.085 1.828 -6.000 1.00 0.00 H new ATOM 0 H4' DG B 2 11.274 0.717 -3.780 1.00 0.00 H new ATOM 0 H3' DG B 2 9.876 -0.310 -5.867 1.00 0.00 H new ATOM 0 H2' DG B 2 7.830 1.015 -5.409 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.463 -0.553 -4.718 1.00 0.00 H new ATOM 0 H1' DG B 2 8.010 0.143 -2.496 1.00 0.00 H new ATOM 0 H8 DG B 2 7.212 3.009 -4.973 1.00 0.00 H new ATOM 0 H1 DG B 2 3.693 2.798 0.403 1.00 0.00 H new ATOM 0 H21 DG B 2 5.856 0.129 1.205 1.00 0.00 H new ATOM 0 H22 DG B 2 4.453 1.086 1.693 1.00 0.00 H new ATOM 251 P DA B 3 9.228 -2.725 -4.585 1.00 0.00 P ATOM 252 OP1 DA B 3 10.284 -3.759 -4.525 1.00 0.00 O ATOM 253 OP2 DA B 3 8.467 -2.515 -5.836 1.00 0.00 O ATOM 254 O5' DA B 3 8.178 -3.016 -3.402 1.00 0.00 O ATOM 255 C5' DA B 3 8.658 -3.408 -2.133 1.00 0.00 C ATOM 256 C4' DA B 3 7.519 -3.782 -1.185 1.00 0.00 C ATOM 257 O4' DA B 3 6.709 -2.648 -0.924 1.00 0.00 O ATOM 258 C3' DA B 3 6.630 -4.874 -1.764 1.00 0.00 C ATOM 259 O3' DA B 3 6.178 -5.654 -0.683 1.00 0.00 O ATOM 260 C2' DA B 3 5.495 -4.052 -2.337 1.00 0.00 C ATOM 261 C1' DA B 3 5.378 -2.951 -1.292 1.00 0.00 C ATOM 262 N9 DA B 3 4.742 -1.760 -1.877 1.00 0.00 N ATOM 263 C8 DA B 3 5.004 -1.165 -3.085 1.00 0.00 C ATOM 264 N7 DA B 3 4.233 -0.150 -3.362 1.00 0.00 N ATOM 265 C5 DA B 3 3.427 -0.051 -2.232 1.00 0.00 C ATOM 266 C6 DA B 3 2.399 0.832 -1.871 1.00 0.00 C ATOM 267 N6 DA B 3 2.010 1.798 -2.697 1.00 0.00 N ATOM 268 N1 DA B 3 1.829 0.724 -0.658 1.00 0.00 N ATOM 269 C2 DA B 3 2.259 -0.238 0.159 1.00 0.00 C ATOM 270 N3 DA B 3 3.188 -1.160 -0.078 1.00 0.00 N ATOM 271 C4 DA B 3 3.750 -1.002 -1.304 1.00 0.00 C ATOM 0 H5' DA B 3 9.241 -2.596 -1.698 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.331 -4.258 -2.246 1.00 0.00 H new ATOM 0 H4' DA B 3 7.979 -4.150 -0.268 1.00 0.00 H new ATOM 0 H3' DA B 3 7.090 -5.542 -2.492 1.00 0.00 H new ATOM 0 H2' DA B 3 5.729 -3.659 -3.326 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.575 -4.629 -2.433 1.00 0.00 H new ATOM 0 H1' DA B 3 4.772 -3.262 -0.441 1.00 0.00 H new ATOM 0 H8 DA B 3 5.783 -1.508 -3.750 1.00 0.00 H new ATOM 0 H61 DA B 3 1.261 2.433 -2.422 1.00 0.00 H new ATOM 0 H62 DA B 3 2.461 1.904 -3.606 1.00 0.00 H new ATOM 0 H2 DA B 3 1.796 -0.273 1.134 1.00 0.00 H new ATOM 283 P DT B 4 5.140 -6.864 -0.880 1.00 0.00 P ATOM 284 OP1 DT B 4 5.800 -7.915 -1.685 1.00 0.00 O ATOM 285 OP2 DT B 4 3.839 -6.310 -1.319 1.00 0.00 O ATOM 286 O5' DT B 4 5.014 -7.389 0.636 1.00 0.00 O ATOM 287 C5' DT B 4 4.966 -6.489 1.730 1.00 0.00 C ATOM 288 C4' DT B 4 3.595 -5.835 1.910 1.00 0.00 C ATOM 289 O4' DT B 4 3.369 -4.747 1.037 1.00 0.00 O ATOM 290 C3' DT B 4 2.473 -6.845 1.673 1.00 0.00 C ATOM 291 O3' DT B 4 1.804 -7.090 2.887 1.00 0.00 O ATOM 292 C2' DT B 4 1.588 -6.105 0.680 1.00 0.00 C ATOM 293 C1' DT B 4 1.964 -4.663 0.945 1.00 0.00 C ATOM 294 N1 DT B 4 1.515 -3.827 -0.176 1.00 0.00 N ATOM 295 C2 DT B 4 0.548 -2.862 0.074 1.00 0.00 C ATOM 296 O2 DT B 4 0.082 -2.671 1.193 1.00 0.00 O ATOM 297 N3 DT B 4 0.124 -2.127 -1.019 1.00 0.00 N ATOM 298 C4 DT B 4 0.617 -2.254 -2.304 1.00 0.00 C ATOM 299 O4 DT B 4 0.220 -1.518 -3.199 1.00 0.00 O ATOM 300 C5 DT B 4 1.616 -3.288 -2.478 1.00 0.00 C ATOM 301 C7 DT B 4 2.227 -3.515 -3.840 1.00 0.00 C ATOM 302 C6 DT B 4 2.024 -4.033 -1.427 1.00 0.00 C ATOM 0 H5' DT B 4 5.717 -5.712 1.586 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.230 -7.022 2.643 1.00 0.00 H new ATOM 0 H4' DT B 4 3.593 -5.468 2.936 1.00 0.00 H new ATOM 0 H3' DT B 4 2.796 -7.820 1.307 1.00 0.00 H new ATOM 0 H2' DT B 4 1.794 -6.399 -0.349 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.529 -6.291 0.859 1.00 0.00 H new ATOM 0 H1' DT B 4 1.516 -4.213 1.831 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.611 -1.437 -0.864 1.00 0.00 H new ATOM 0 H71 DT B 4 1.503 -3.254 -4.612 1.00 0.00 H new ATOM 0 H72 DT B 4 3.114 -2.892 -3.949 1.00 0.00 H new ATOM 0 H73 DT B 4 2.505 -4.564 -3.944 1.00 0.00 H new ATOM 0 H6 DT B 4 2.765 -4.804 -1.578 1.00 0.00 H new ATOM 315 P DC B 5 0.711 -8.262 3.016 1.00 0.00 P ATOM 316 OP1 DC B 5 1.150 -9.206 4.067 1.00 0.00 O ATOM 317 OP2 DC B 5 0.372 -8.755 1.663 1.00 0.00 O ATOM 318 O5' DC B 5 -0.547 -7.434 3.565 1.00 0.00 O ATOM 319 C5' DC B 5 -0.438 -6.739 4.788 1.00 0.00 C ATOM 320 C4' DC B 5 -1.729 -6.010 5.164 1.00 0.00 C ATOM 321 O4' DC B 5 -2.035 -4.973 4.246 1.00 0.00 O ATOM 322 C3' DC B 5 -2.918 -6.955 5.165 1.00 0.00 C ATOM 323 O3' DC B 5 -3.847 -6.442 6.094 1.00 0.00 O ATOM 324 C2' DC B 5 -3.378 -6.854 3.714 1.00 0.00 C ATOM 325 C1' DC B 5 -3.044 -5.408 3.347 1.00 0.00 C ATOM 326 N1 DC B 5 -2.542 -5.232 1.963 1.00 0.00 N ATOM 327 C2 DC B 5 -2.810 -4.023 1.338 1.00 0.00 C ATOM 328 O2 DC B 5 -3.402 -3.124 1.929 1.00 0.00 O ATOM 329 N3 DC B 5 -2.492 -3.876 0.019 1.00 0.00 N ATOM 330 C4 DC B 5 -1.859 -4.851 -0.636 1.00 0.00 C ATOM 331 N4 DC B 5 -1.622 -4.673 -1.932 1.00 0.00 N ATOM 332 C5 DC B 5 -1.458 -6.057 0.020 1.00 0.00 C ATOM 333 C6 DC B 5 -1.829 -6.202 1.315 1.00 0.00 C ATOM 0 H5' DC B 5 0.377 -6.018 4.721 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.177 -7.442 5.580 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.557 -5.600 6.159 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.743 -7.991 5.454 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.854 -7.564 3.074 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.444 -7.060 3.613 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.966 -4.830 3.414 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.140 -5.396 -2.466 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.922 -3.813 -2.392 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.886 -6.816 -0.493 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.556 -7.102 1.846 1.00 0.00 H new ATOM 345 P DG B 6 -5.034 -7.352 6.680 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.507 -6.744 7.944 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.599 -8.766 6.653 1.00 0.00 O ATOM 348 O5' DG B 6 -6.160 -7.140 5.568 1.00 0.00 O ATOM 349 C5' DG B 6 -6.705 -5.855 5.362 1.00 0.00 C ATOM 350 C4' DG B 6 -7.549 -5.871 4.095 1.00 0.00 C ATOM 351 O4' DG B 6 -6.766 -6.300 3.004 1.00 0.00 O ATOM 352 C3' DG B 6 -8.701 -6.850 4.215 1.00 0.00 C ATOM 353 O3' DG B 6 -9.934 -6.176 4.095 1.00 0.00 O ATOM 354 C2' DG B 6 -8.517 -7.791 3.043 1.00 0.00 C ATOM 355 C1' DG B 6 -7.656 -6.954 2.128 1.00 0.00 C ATOM 356 N9 DG B 6 -6.895 -7.802 1.204 1.00 0.00 N ATOM 357 C8 DG B 6 -5.690 -8.374 1.467 1.00 0.00 C ATOM 358 N7 DG B 6 -5.005 -8.701 0.407 1.00 0.00 N ATOM 359 C5 DG B 6 -5.864 -8.369 -0.642 1.00 0.00 C ATOM 360 C6 DG B 6 -5.634 -8.309 -2.049 1.00 0.00 C ATOM 361 O6 DG B 6 -4.579 -8.471 -2.662 1.00 0.00 O ATOM 362 N1 DG B 6 -6.762 -7.930 -2.757 1.00 0.00 N ATOM 363 C2 DG B 6 -7.973 -7.628 -2.186 1.00 0.00 C ATOM 364 N2 DG B 6 -8.998 -7.400 -2.999 1.00 0.00 N ATOM 365 N3 DG B 6 -8.162 -7.542 -0.865 1.00 0.00 N ATOM 366 C4 DG B 6 -7.064 -7.909 -0.153 1.00 0.00 C ATOM 0 H5' DG B 6 -5.907 -5.118 5.273 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.315 -5.563 6.217 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.926 -4.859 3.947 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.708 -7.364 5.176 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.026 -8.720 3.334 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.466 -8.063 2.581 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.668 -6.821 4.173 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.248 -6.272 1.518 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.330 -8.543 2.471 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.688 -7.871 -3.773 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.914 -7.172 -2.613 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.869 -7.452 -4.009 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.286 2.241 3.075 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.431 2.703 2.414 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.050 3.587 1.403 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.691 3.801 1.546 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.802 4.691 0.925 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.503 4.825 1.430 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.103 4.044 2.523 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.977 3.099 3.087 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.261 3.017 2.594 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.655 2.227 2.910 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.840 2.839 2.547 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.649 1.295 3.876 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.481 0.899 4.378 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.256 1.318 4.069 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.973 4.046 1.748 1.00 0.00 C HETATM 394 C7 PPZ A 7 11.051 5.147 2.280 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.603 5.801 3.402 1.00 0.00 O HETATM 0 H8 PPZ A 7 11.003 5.695 4.170 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.864 5.876 1.491 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.088 4.714 2.550 1.00 0.00 H new HETATM 0 H62 PPZ A 7 13.007 4.389 1.767 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.728 3.829 0.708 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.703 2.402 2.871 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.535 0.127 5.146 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.119 5.272 0.059 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.808 5.532 0.976 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.104 4.171 2.940 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.647 2.446 3.895 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.190 -3.811 0.746 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.121 -3.567 -0.269 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.497 -3.703 -1.508 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.234 -4.206 -1.268 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.220 -4.666 -2.118 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.080 -5.261 -1.564 1.00 0.00 C HETATM 413 C11 PPZ B 7 -4.984 -5.415 -0.175 1.00 0.00 C HETATM 414 C10 PPZ B 7 -5.970 -4.877 0.666 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.086 -4.305 0.097 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.431 -3.304 0.154 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.478 -3.444 -0.737 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.673 -3.161 1.467 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.673 -3.344 2.327 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.413 -3.696 2.079 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.375 -3.981 -2.086 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.562 -5.282 -2.101 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.356 -6.416 -1.823 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.961 -6.918 -1.080 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.091 -5.402 -3.077 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.760 -5.214 -1.366 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.373 -4.167 -2.484 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -10.903 -3.246 -2.738 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.401 -3.146 -0.423 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.919 -3.184 3.377 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.317 -4.562 -3.199 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.271 -5.603 -2.210 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.140 -5.955 0.254 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.855 -4.911 1.749 1.00 0.00 H new