USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=8 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= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.0876) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.611 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.114 (180deg=-0.929) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -128:sc= 0.475 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.711 -1.734 -8.444 1.00 0.00 O ATOM 2 C5' DC A 1 -6.663 -1.387 -7.468 1.00 0.00 C ATOM 3 C4' DC A 1 -8.009 -2.063 -7.713 1.00 0.00 C ATOM 4 O4' DC A 1 -7.855 -3.470 -7.588 1.00 0.00 O ATOM 5 C3' DC A 1 -8.926 -1.646 -6.570 1.00 0.00 C ATOM 6 O3' DC A 1 -10.264 -1.976 -6.873 1.00 0.00 O ATOM 7 C2' DC A 1 -8.338 -2.534 -5.488 1.00 0.00 C ATOM 8 C1' DC A 1 -8.105 -3.839 -6.241 1.00 0.00 C ATOM 9 N1 DC A 1 -6.937 -4.528 -5.663 1.00 0.00 N ATOM 10 C2 DC A 1 -7.102 -5.801 -5.135 1.00 0.00 C ATOM 11 O2 DC A 1 -8.186 -6.380 -5.188 1.00 0.00 O ATOM 12 N3 DC A 1 -6.049 -6.389 -4.496 1.00 0.00 N ATOM 13 C4 DC A 1 -4.873 -5.756 -4.408 1.00 0.00 C ATOM 14 N4 DC A 1 -3.928 -6.271 -3.631 1.00 0.00 N ATOM 15 C5 DC A 1 -4.692 -4.440 -4.926 1.00 0.00 C ATOM 16 C6 DC A 1 -5.749 -3.868 -5.539 1.00 0.00 C ATOM 0 H5' DC A 1 -6.797 -0.305 -7.461 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.291 -1.668 -6.483 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.392 -1.793 -8.697 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.966 -0.585 -6.325 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.412 -2.125 -5.083 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.022 -2.663 -4.650 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.864 -1.279 -8.251 1.00 0.00 H new ATOM 0 H1' DC A 1 -8.957 -4.516 -6.175 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.024 -5.805 -3.550 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.105 -7.133 -3.115 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.749 -3.923 -4.832 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.653 -2.869 -5.939 1.00 0.00 H new ATOM 29 P DG A 2 -11.433 -1.812 -5.780 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.091 -2.658 -4.616 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.733 -1.996 -6.462 1.00 0.00 O ATOM 32 O5' DG A 2 -11.319 -0.270 -5.337 1.00 0.00 O ATOM 33 C5' DG A 2 -11.698 0.099 -4.030 1.00 0.00 C ATOM 34 C4' DG A 2 -10.499 0.612 -3.234 1.00 0.00 C ATOM 35 O4' DG A 2 -9.364 -0.222 -3.349 1.00 0.00 O ATOM 36 C3' DG A 2 -10.062 2.015 -3.646 1.00 0.00 C ATOM 37 O3' DG A 2 -10.451 2.883 -2.602 1.00 0.00 O ATOM 38 C2' DG A 2 -8.546 1.888 -3.770 1.00 0.00 C ATOM 39 C1' DG A 2 -8.264 0.598 -3.019 1.00 0.00 C ATOM 40 N9 DG A 2 -6.994 -0.023 -3.432 1.00 0.00 N ATOM 41 C8 DG A 2 -6.476 -0.196 -4.685 1.00 0.00 C ATOM 42 N7 DG A 2 -5.392 -0.923 -4.726 1.00 0.00 N ATOM 43 C5 DG A 2 -5.142 -1.211 -3.384 1.00 0.00 C ATOM 44 C6 DG A 2 -4.098 -1.962 -2.759 1.00 0.00 C ATOM 45 O6 DG A 2 -3.146 -2.550 -3.278 1.00 0.00 O ATOM 46 N1 DG A 2 -4.235 -2.010 -1.382 1.00 0.00 N ATOM 47 C2 DG A 2 -5.245 -1.399 -0.672 1.00 0.00 C ATOM 48 N2 DG A 2 -5.250 -1.471 0.652 1.00 0.00 N ATOM 49 N3 DG A 2 -6.216 -0.691 -1.243 1.00 0.00 N ATOM 50 C4 DG A 2 -6.113 -0.645 -2.592 1.00 0.00 C ATOM 0 H5' DG A 2 -12.137 -0.758 -3.520 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.466 0.871 -4.075 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.858 0.620 -2.205 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.492 2.401 -4.570 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.227 1.830 -4.811 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.029 2.738 -3.325 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.155 0.761 -1.947 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.926 0.233 -5.568 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.538 -2.536 -0.855 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.995 -1.021 1.184 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.509 -1.976 1.138 1.00 0.00 H new ATOM 62 P DA A 3 -9.889 4.385 -2.476 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.914 5.211 -1.801 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.341 4.803 -3.786 1.00 0.00 O ATOM 65 O5' DA A 3 -8.671 4.160 -1.455 1.00 0.00 O ATOM 66 C5' DA A 3 -8.944 3.784 -0.120 1.00 0.00 C ATOM 67 C4' DA A 3 -7.659 3.708 0.702 1.00 0.00 C ATOM 68 O4' DA A 3 -6.848 2.625 0.292 1.00 0.00 O ATOM 69 C3' DA A 3 -6.841 4.987 0.559 1.00 0.00 C ATOM 70 O3' DA A 3 -6.967 5.724 1.757 1.00 0.00 O ATOM 71 C2' DA A 3 -5.433 4.468 0.294 1.00 0.00 C ATOM 72 C1' DA A 3 -5.498 2.967 0.538 1.00 0.00 C ATOM 73 N9 DA A 3 -4.663 2.319 -0.484 1.00 0.00 N ATOM 74 C8 DA A 3 -4.691 2.574 -1.828 1.00 0.00 C ATOM 75 N7 DA A 3 -3.765 1.969 -2.514 1.00 0.00 N ATOM 76 C5 DA A 3 -3.101 1.225 -1.546 1.00 0.00 C ATOM 77 C6 DA A 3 -1.985 0.379 -1.597 1.00 0.00 C ATOM 78 N6 DA A 3 -1.274 0.200 -2.702 1.00 0.00 N ATOM 79 N1 DA A 3 -1.607 -0.288 -0.496 1.00 0.00 N ATOM 80 C2 DA A 3 -2.272 -0.070 0.637 1.00 0.00 C ATOM 81 N3 DA A 3 -3.278 0.778 0.842 1.00 0.00 N ATOM 82 C4 DA A 3 -3.660 1.395 -0.307 1.00 0.00 C ATOM 0 H5' DA A 3 -9.446 2.817 -0.107 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.627 4.504 0.332 1.00 0.00 H new ATOM 0 H4' DA A 3 -7.962 3.570 1.740 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.149 5.667 -0.235 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.121 4.686 -0.727 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.709 4.942 0.957 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.165 2.673 1.534 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.423 3.225 -2.283 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.468 -0.426 -2.694 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.533 0.688 -3.560 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.958 -0.650 1.492 1.00 0.00 H new ATOM 94 P DT A 4 -5.887 6.829 2.210 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.478 7.655 3.285 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.305 7.464 1.007 1.00 0.00 O ATOM 97 O5' DT A 4 -4.795 5.853 2.859 1.00 0.00 O ATOM 98 C5' DT A 4 -5.210 4.912 3.828 1.00 0.00 C ATOM 99 C4' DT A 4 -4.073 3.960 4.176 1.00 0.00 C ATOM 100 O4' DT A 4 -3.611 3.342 2.986 1.00 0.00 O ATOM 101 C3' DT A 4 -2.910 4.724 4.804 1.00 0.00 C ATOM 102 O3' DT A 4 -2.421 3.990 5.903 1.00 0.00 O ATOM 103 C2' DT A 4 -1.912 4.748 3.663 1.00 0.00 C ATOM 104 C1' DT A 4 -2.202 3.426 2.981 1.00 0.00 C ATOM 105 N1 DT A 4 -1.680 3.476 1.608 1.00 0.00 N ATOM 106 C2 DT A 4 -0.701 2.561 1.252 1.00 0.00 C ATOM 107 O2 DT A 4 -0.240 1.745 2.044 1.00 0.00 O ATOM 108 N3 DT A 4 -0.256 2.624 -0.055 1.00 0.00 N ATOM 109 C4 DT A 4 -0.670 3.543 -0.999 1.00 0.00 C ATOM 110 O4 DT A 4 -0.205 3.525 -2.132 1.00 0.00 O ATOM 111 C5 DT A 4 -1.671 4.482 -0.533 1.00 0.00 C ATOM 112 C7 DT A 4 -2.200 5.526 -1.485 1.00 0.00 C ATOM 113 C6 DT A 4 -2.139 4.423 0.733 1.00 0.00 C ATOM 0 H5' DT A 4 -6.062 4.346 3.451 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.544 5.431 4.726 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.441 3.217 4.883 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.151 5.717 5.183 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.070 5.596 2.997 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.883 4.809 4.019 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.743 2.566 3.469 1.00 0.00 H new ATOM 0 H3 DT A 4 0.436 1.934 -0.347 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.427 5.784 -2.208 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.071 5.132 -2.010 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.486 6.417 -0.926 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.885 5.133 1.059 1.00 0.00 H new ATOM 126 P DC A 5 -1.185 4.522 6.785 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.513 4.336 8.215 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.771 5.850 6.281 1.00 0.00 O ATOM 129 O5' DC A 5 -0.040 3.469 6.394 1.00 0.00 O ATOM 130 C5' DC A 5 -0.228 2.100 6.681 1.00 0.00 C ATOM 131 C4' DC A 5 1.092 1.327 6.704 1.00 0.00 C ATOM 132 O4' DC A 5 1.628 1.176 5.403 1.00 0.00 O ATOM 133 C3' DC A 5 2.125 2.078 7.528 1.00 0.00 C ATOM 134 O3' DC A 5 3.009 1.147 8.111 1.00 0.00 O ATOM 135 C2' DC A 5 2.782 2.960 6.472 1.00 0.00 C ATOM 136 C1' DC A 5 2.632 2.149 5.183 1.00 0.00 C ATOM 137 N1 DC A 5 2.260 2.957 3.997 1.00 0.00 N ATOM 138 C2 DC A 5 2.643 2.468 2.758 1.00 0.00 C ATOM 139 O2 DC A 5 3.217 1.387 2.653 1.00 0.00 O ATOM 140 N3 DC A 5 2.468 3.247 1.652 1.00 0.00 N ATOM 141 C4 DC A 5 1.853 4.428 1.753 1.00 0.00 C ATOM 142 N4 DC A 5 1.699 5.137 0.639 1.00 0.00 N ATOM 143 C5 DC A 5 1.326 4.896 2.997 1.00 0.00 C ATOM 144 C6 DC A 5 1.570 4.135 4.091 1.00 0.00 C ATOM 0 H5' DC A 5 -0.891 1.662 5.935 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.724 1.998 7.646 1.00 0.00 H new ATOM 0 H4' DC A 5 0.878 0.349 7.134 1.00 0.00 H new ATOM 0 H3' DC A 5 1.740 2.664 8.363 1.00 0.00 H new ATOM 0 H2' DC A 5 2.289 3.929 6.396 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.829 3.152 6.705 1.00 0.00 H new ATOM 0 H1' DC A 5 3.605 1.712 4.960 1.00 0.00 H new ATOM 0 H41 DC A 5 1.235 6.045 0.672 1.00 0.00 H new ATOM 0 H42 DC A 5 2.045 4.773 -0.249 1.00 0.00 H new ATOM 0 H5 DC A 5 0.760 5.813 3.062 1.00 0.00 H new ATOM 0 H6 DC A 5 1.213 4.464 5.056 1.00 0.00 H new ATOM 156 P DG A 6 3.891 1.557 9.389 1.00 0.00 P ATOM 157 OP1 DG A 6 4.424 0.323 10.009 1.00 0.00 O ATOM 158 OP2 DG A 6 3.112 2.518 10.201 1.00 0.00 O ATOM 159 O5' DG A 6 5.100 2.337 8.695 1.00 0.00 O ATOM 160 C5' DG A 6 6.066 1.615 7.966 1.00 0.00 C ATOM 161 C4' DG A 6 6.913 2.579 7.148 1.00 0.00 C ATOM 162 O4' DG A 6 6.126 3.242 6.184 1.00 0.00 O ATOM 163 C3' DG A 6 7.541 3.656 8.009 1.00 0.00 C ATOM 164 O3' DG A 6 8.934 3.461 8.105 1.00 0.00 O ATOM 165 C2' DG A 6 7.253 4.949 7.270 1.00 0.00 C ATOM 166 C1' DG A 6 6.815 4.440 5.913 1.00 0.00 C ATOM 167 N9 DG A 6 5.907 5.390 5.263 1.00 0.00 N ATOM 168 C8 DG A 6 4.551 5.417 5.366 1.00 0.00 C ATOM 169 N7 DG A 6 3.958 6.166 4.480 1.00 0.00 N ATOM 170 C5 DG A 6 5.018 6.699 3.750 1.00 0.00 C ATOM 171 C6 DG A 6 5.024 7.503 2.573 1.00 0.00 C ATOM 172 O6 DG A 6 4.067 7.909 1.915 1.00 0.00 O ATOM 173 N1 DG A 6 6.306 7.792 2.135 1.00 0.00 N ATOM 174 C2 DG A 6 7.452 7.426 2.793 1.00 0.00 C ATOM 175 N2 DG A 6 8.600 7.924 2.350 1.00 0.00 N ATOM 176 N3 DG A 6 7.467 6.624 3.861 1.00 0.00 N ATOM 177 C4 DG A 6 6.219 6.280 4.271 1.00 0.00 C ATOM 0 H5' DG A 6 5.578 0.896 7.308 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.699 1.046 8.646 1.00 0.00 H new ATOM 0 H4' DG A 6 7.689 1.972 6.680 1.00 0.00 H new ATOM 0 H3' DG A 6 7.146 3.653 9.025 1.00 0.00 H new ATOM 0 H2' DG A 6 6.474 5.534 7.758 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.135 5.586 7.202 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.325 4.165 8.663 1.00 0.00 H new ATOM 0 H1' DG A 6 7.664 4.302 5.244 1.00 0.00 H new ATOM 0 H8 DG A 6 4.011 4.863 6.120 1.00 0.00 H new ATOM 0 H1 DG A 6 6.404 8.313 1.263 1.00 0.00 H new ATOM 0 H21 DG A 6 9.475 7.677 2.812 1.00 0.00 H new ATOM 0 H22 DG A 6 8.607 8.554 1.548 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.085 9.029 -5.139 1.00 0.00 O ATOM 191 C5' DC B 1 9.990 7.618 -5.162 1.00 0.00 C ATOM 192 C4' DC B 1 10.903 6.972 -4.116 1.00 0.00 C ATOM 193 O4' DC B 1 10.394 7.238 -2.818 1.00 0.00 O ATOM 194 C3' DC B 1 10.859 5.460 -4.300 1.00 0.00 C ATOM 195 O3' DC B 1 11.997 4.842 -3.738 1.00 0.00 O ATOM 196 C2' DC B 1 9.593 5.140 -3.534 1.00 0.00 C ATOM 197 C1' DC B 1 9.609 6.141 -2.375 1.00 0.00 C ATOM 198 N1 DC B 1 8.212 6.518 -2.036 1.00 0.00 N ATOM 199 C2 DC B 1 7.949 7.419 -1.004 1.00 0.00 C ATOM 200 O2 DC B 1 8.854 8.025 -0.431 1.00 0.00 O ATOM 201 N3 DC B 1 6.656 7.598 -0.591 1.00 0.00 N ATOM 202 C4 DC B 1 5.656 6.941 -1.195 1.00 0.00 C ATOM 203 N4 DC B 1 4.435 6.974 -0.676 1.00 0.00 N ATOM 204 C5 DC B 1 5.905 6.033 -2.259 1.00 0.00 C ATOM 205 C6 DC B 1 7.183 5.853 -2.638 1.00 0.00 C ATOM 0 H5' DC B 1 10.256 7.251 -6.153 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.958 7.320 -4.978 1.00 0.00 H new ATOM 0 H4' DC B 1 11.913 7.365 -4.230 1.00 0.00 H new ATOM 0 H3' DC B 1 10.860 5.114 -5.334 1.00 0.00 H new ATOM 0 H2' DC B 1 8.706 5.262 -4.156 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.591 4.111 -3.175 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.491 9.408 -5.820 1.00 0.00 H new ATOM 0 H1' DC B 1 10.042 5.735 -1.460 1.00 0.00 H new ATOM 0 H41 DC B 1 3.673 6.475 -1.134 1.00 0.00 H new ATOM 0 H42 DC B 1 4.259 7.499 0.181 1.00 0.00 H new ATOM 0 H5 DC B 1 5.097 5.506 -2.746 1.00 0.00 H new ATOM 0 H6 DC B 1 7.401 5.164 -3.440 1.00 0.00 H new ATOM 218 P DG B 2 12.151 3.238 -3.771 1.00 0.00 P ATOM 219 OP1 DG B 2 11.353 2.683 -2.655 1.00 0.00 O ATOM 220 OP2 DG B 2 13.587 2.906 -3.890 1.00 0.00 O ATOM 221 O5' DG B 2 11.429 2.893 -5.175 1.00 0.00 O ATOM 222 C5' DG B 2 11.033 1.579 -5.525 1.00 0.00 C ATOM 223 C4' DG B 2 10.009 1.019 -4.536 1.00 0.00 C ATOM 224 O4' DG B 2 9.005 1.956 -4.222 1.00 0.00 O ATOM 225 C3' DG B 2 9.260 -0.200 -5.074 1.00 0.00 C ATOM 226 O3' DG B 2 9.850 -1.373 -4.563 1.00 0.00 O ATOM 227 C2' DG B 2 7.837 0.002 -4.551 1.00 0.00 C ATOM 228 C1' DG B 2 7.995 1.190 -3.613 1.00 0.00 C ATOM 229 N9 DG B 2 6.771 1.992 -3.460 1.00 0.00 N ATOM 230 C8 DG B 2 6.261 2.945 -4.300 1.00 0.00 C ATOM 231 N7 DG B 2 5.231 3.586 -3.819 1.00 0.00 N ATOM 232 C5 DG B 2 5.049 3.020 -2.557 1.00 0.00 C ATOM 233 C6 DG B 2 4.140 3.352 -1.506 1.00 0.00 C ATOM 234 O6 DG B 2 3.335 4.285 -1.450 1.00 0.00 O ATOM 235 N1 DG B 2 4.254 2.494 -0.422 1.00 0.00 N ATOM 236 C2 DG B 2 5.253 1.559 -0.274 1.00 0.00 C ATOM 237 N2 DG B 2 5.298 0.836 0.837 1.00 0.00 N ATOM 238 N3 DG B 2 6.157 1.296 -1.217 1.00 0.00 N ATOM 239 C4 DG B 2 5.992 2.047 -2.335 1.00 0.00 C ATOM 0 H5' DG B 2 11.908 0.929 -5.551 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.607 1.581 -6.528 1.00 0.00 H new ATOM 0 H4' DG B 2 10.608 0.756 -3.664 1.00 0.00 H new ATOM 0 H3' DG B 2 9.282 -0.300 -6.159 1.00 0.00 H new ATOM 0 H2' DG B 2 7.135 0.213 -5.357 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.468 -0.881 -4.029 1.00 0.00 H new ATOM 0 H1' DG B 2 8.228 0.859 -2.601 1.00 0.00 H new ATOM 0 H8 DG B 2 6.675 3.149 -5.276 1.00 0.00 H new ATOM 0 H1 DG B 2 3.551 2.560 0.314 1.00 0.00 H new ATOM 0 H21 DG B 2 6.032 0.139 0.962 1.00 0.00 H new ATOM 0 H22 DG B 2 4.599 0.977 1.566 1.00 0.00 H new ATOM 251 P DA B 3 9.249 -2.827 -4.903 1.00 0.00 P ATOM 252 OP1 DA B 3 10.330 -3.825 -4.743 1.00 0.00 O ATOM 253 OP2 DA B 3 8.504 -2.741 -6.178 1.00 0.00 O ATOM 254 O5' DA B 3 8.197 -3.037 -3.708 1.00 0.00 O ATOM 255 C5' DA B 3 8.678 -3.283 -2.403 1.00 0.00 C ATOM 256 C4' DA B 3 7.544 -3.614 -1.434 1.00 0.00 C ATOM 257 O4' DA B 3 6.721 -2.478 -1.240 1.00 0.00 O ATOM 258 C3' DA B 3 6.674 -4.746 -1.965 1.00 0.00 C ATOM 259 O3' DA B 3 6.281 -5.531 -0.866 1.00 0.00 O ATOM 260 C2' DA B 3 5.491 -3.980 -2.523 1.00 0.00 C ATOM 261 C1' DA B 3 5.385 -2.847 -1.513 1.00 0.00 C ATOM 262 N9 DA B 3 4.678 -1.704 -2.107 1.00 0.00 N ATOM 263 C8 DA B 3 4.890 -1.120 -3.329 1.00 0.00 C ATOM 264 N7 DA B 3 4.062 -0.154 -3.613 1.00 0.00 N ATOM 265 C5 DA B 3 3.274 -0.074 -2.470 1.00 0.00 C ATOM 266 C6 DA B 3 2.211 0.761 -2.108 1.00 0.00 C ATOM 267 N6 DA B 3 1.744 1.667 -2.960 1.00 0.00 N ATOM 268 N1 DA B 3 1.670 0.657 -0.881 1.00 0.00 N ATOM 269 C2 DA B 3 2.165 -0.264 -0.051 1.00 0.00 C ATOM 270 N3 DA B 3 3.136 -1.141 -0.288 1.00 0.00 N ATOM 271 C4 DA B 3 3.664 -0.984 -1.527 1.00 0.00 C ATOM 0 H5' DA B 3 9.219 -2.408 -2.044 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.388 -4.109 -2.427 1.00 0.00 H new ATOM 0 H4' DA B 3 8.000 -3.921 -0.493 1.00 0.00 H new ATOM 0 H3' DA B 3 7.142 -5.407 -2.694 1.00 0.00 H new ATOM 0 H2' DA B 3 5.673 -3.617 -3.534 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.586 -4.587 -2.561 1.00 0.00 H new ATOM 0 H1' DA B 3 4.839 -3.148 -0.619 1.00 0.00 H new ATOM 0 H8 DA B 3 5.676 -1.434 -4.000 1.00 0.00 H new ATOM 0 H61 DA B 3 0.969 2.271 -2.688 1.00 0.00 H new ATOM 0 H62 DA B 3 2.161 1.758 -3.887 1.00 0.00 H new ATOM 0 H2 DA B 3 1.723 -0.301 0.934 1.00 0.00 H new ATOM 283 P DT B 4 5.383 -6.849 -1.055 1.00 0.00 P ATOM 284 OP1 DT B 4 6.174 -7.832 -1.827 1.00 0.00 O ATOM 285 OP2 DT B 4 4.042 -6.446 -1.537 1.00 0.00 O ATOM 286 O5' DT B 4 5.270 -7.374 0.464 1.00 0.00 O ATOM 287 C5' DT B 4 5.163 -6.477 1.556 1.00 0.00 C ATOM 288 C4' DT B 4 3.774 -5.849 1.692 1.00 0.00 C ATOM 289 O4' DT B 4 3.548 -4.802 0.770 1.00 0.00 O ATOM 290 C3' DT B 4 2.665 -6.883 1.484 1.00 0.00 C ATOM 291 O3' DT B 4 1.952 -7.066 2.686 1.00 0.00 O ATOM 292 C2' DT B 4 1.798 -6.211 0.429 1.00 0.00 C ATOM 293 C1' DT B 4 2.146 -4.758 0.644 1.00 0.00 C ATOM 294 N1 DT B 4 1.691 -3.962 -0.503 1.00 0.00 N ATOM 295 C2 DT B 4 0.723 -3.003 -0.256 1.00 0.00 C ATOM 296 O2 DT B 4 0.270 -2.800 0.866 1.00 0.00 O ATOM 297 N3 DT B 4 0.279 -2.290 -1.352 1.00 0.00 N ATOM 298 C4 DT B 4 0.724 -2.456 -2.652 1.00 0.00 C ATOM 299 O4 DT B 4 0.291 -1.744 -3.555 1.00 0.00 O ATOM 300 C5 DT B 4 1.730 -3.488 -2.821 1.00 0.00 C ATOM 301 C7 DT B 4 2.310 -3.746 -4.192 1.00 0.00 C ATOM 302 C6 DT B 4 2.173 -4.200 -1.760 1.00 0.00 C ATOM 0 H5' DT B 4 5.902 -5.684 1.440 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.406 -7.007 2.477 1.00 0.00 H new ATOM 0 H4' DT B 4 3.747 -5.450 2.706 1.00 0.00 H new ATOM 0 H3' DT B 4 3.016 -7.872 1.188 1.00 0.00 H new ATOM 0 H2' DT B 4 2.041 -6.547 -0.579 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.737 -6.407 0.583 1.00 0.00 H new ATOM 0 H1' DT B 4 1.674 -4.290 1.508 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.437 -1.582 -1.190 1.00 0.00 H new ATOM 0 H71 DT B 4 1.565 -3.512 -4.952 1.00 0.00 H new ATOM 0 H72 DT B 4 3.189 -3.118 -4.339 1.00 0.00 H new ATOM 0 H73 DT B 4 2.596 -4.795 -4.275 1.00 0.00 H new ATOM 0 H6 DT B 4 2.918 -4.968 -1.908 1.00 0.00 H new ATOM 315 P DC B 5 0.815 -8.199 2.816 1.00 0.00 P ATOM 316 OP1 DC B 5 1.150 -9.072 3.963 1.00 0.00 O ATOM 317 OP2 DC B 5 0.573 -8.787 1.480 1.00 0.00 O ATOM 318 O5' DC B 5 -0.478 -7.332 3.206 1.00 0.00 O ATOM 319 C5' DC B 5 -0.510 -6.642 4.436 1.00 0.00 C ATOM 320 C4' DC B 5 -1.904 -6.107 4.768 1.00 0.00 C ATOM 321 O4' DC B 5 -2.251 -5.008 3.944 1.00 0.00 O ATOM 322 C3' DC B 5 -2.965 -7.180 4.567 1.00 0.00 C ATOM 323 O3' DC B 5 -3.987 -6.986 5.520 1.00 0.00 O ATOM 324 C2' DC B 5 -3.424 -6.910 3.141 1.00 0.00 C ATOM 325 C1' DC B 5 -3.096 -5.436 2.893 1.00 0.00 C ATOM 326 N1 DC B 5 -2.431 -5.205 1.587 1.00 0.00 N ATOM 327 C2 DC B 5 -2.638 -3.974 0.987 1.00 0.00 C ATOM 328 O2 DC B 5 -3.153 -3.048 1.606 1.00 0.00 O ATOM 329 N3 DC B 5 -2.362 -3.835 -0.340 1.00 0.00 N ATOM 330 C4 DC B 5 -1.785 -4.827 -1.017 1.00 0.00 C ATOM 331 N4 DC B 5 -1.576 -4.639 -2.317 1.00 0.00 N ATOM 332 C5 DC B 5 -1.384 -6.040 -0.373 1.00 0.00 C ATOM 333 C6 DC B 5 -1.744 -6.186 0.926 1.00 0.00 C ATOM 0 H5' DC B 5 0.196 -5.812 4.403 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.181 -7.309 5.233 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.870 -5.794 5.812 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.633 -8.210 4.698 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.906 -7.555 2.431 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.491 -7.102 3.027 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.027 -4.870 2.865 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.137 -5.372 -2.874 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.855 -3.762 -2.757 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.823 -6.801 -0.895 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.483 -7.094 1.449 1.00 0.00 H new ATOM 345 P DG B 6 -5.166 -8.064 5.722 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.455 -8.179 7.169 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.849 -9.272 4.928 1.00 0.00 O ATOM 348 O5' DG B 6 -6.392 -7.311 5.023 1.00 0.00 O ATOM 349 C5' DG B 6 -6.800 -6.049 5.509 1.00 0.00 C ATOM 350 C4' DG B 6 -7.827 -5.419 4.572 1.00 0.00 C ATOM 351 O4' DG B 6 -7.291 -5.460 3.266 1.00 0.00 O ATOM 352 C3' DG B 6 -9.126 -6.217 4.571 1.00 0.00 C ATOM 353 O3' DG B 6 -10.225 -5.369 4.320 1.00 0.00 O ATOM 354 C2' DG B 6 -8.942 -7.144 3.393 1.00 0.00 C ATOM 355 C1' DG B 6 -8.116 -6.283 2.461 1.00 0.00 C ATOM 356 N9 DG B 6 -7.277 -7.157 1.639 1.00 0.00 N ATOM 357 C8 DG B 6 -6.108 -7.736 2.019 1.00 0.00 C ATOM 358 N7 DG B 6 -5.378 -8.176 1.033 1.00 0.00 N ATOM 359 C5 DG B 6 -6.175 -7.929 -0.084 1.00 0.00 C ATOM 360 C6 DG B 6 -5.892 -8.069 -1.474 1.00 0.00 C ATOM 361 O6 DG B 6 -4.831 -8.383 -2.011 1.00 0.00 O ATOM 362 N1 DG B 6 -6.971 -7.729 -2.271 1.00 0.00 N ATOM 363 C2 DG B 6 -8.189 -7.309 -1.797 1.00 0.00 C ATOM 364 N2 DG B 6 -9.174 -7.150 -2.675 1.00 0.00 N ATOM 365 N3 DG B 6 -8.433 -7.069 -0.505 1.00 0.00 N ATOM 366 C4 DG B 6 -7.380 -7.385 0.293 1.00 0.00 C ATOM 0 H5' DG B 6 -5.935 -5.393 5.603 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.228 -6.158 6.506 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.038 -4.401 4.900 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.319 -6.722 5.518 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.425 -8.062 3.670 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.893 -7.436 2.948 1.00 0.00 H new ATOM 0 HO3' DG B 6 -11.051 -5.896 4.321 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.750 -5.676 1.814 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.808 -7.824 3.053 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.853 -7.795 -3.282 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.093 -6.839 -2.360 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.011 -7.339 -3.664 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.611 2.793 3.492 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.736 3.373 2.896 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.360 3.977 1.697 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.981 3.954 1.650 1.00 0.00 C HETATM 383 C13 PPZ A 7 7.057 4.579 0.798 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.701 4.559 1.135 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.281 3.840 2.264 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.208 3.162 3.074 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.546 3.264 2.762 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.932 3.278 3.621 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.979 4.129 3.321 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.961 2.527 4.733 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.831 1.960 5.151 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.608 2.054 4.632 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.925 5.231 2.371 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.684 6.099 2.622 1.00 0.00 C HETATM 395 O8 PPZ A 7 10.897 7.022 3.669 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.247 6.861 4.385 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.425 6.636 1.710 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.836 5.460 2.867 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.825 5.839 2.460 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.903 4.841 1.354 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.863 3.972 3.805 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.919 1.334 6.039 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.393 5.073 -0.114 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.975 5.098 0.526 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.221 3.807 2.516 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.877 2.570 3.927 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.477 -3.227 0.782 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.414 -3.121 -0.252 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.779 -3.372 -1.469 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.503 -3.811 -1.175 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.471 -4.336 -1.968 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.347 -4.894 -1.346 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.269 -4.919 0.054 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.266 -4.309 0.831 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.368 -3.781 0.194 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.730 -2.843 0.147 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.781 -3.085 -0.718 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.974 -2.556 1.436 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.967 -2.615 2.307 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.701 -2.961 2.093 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.685 -3.720 -2.022 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.838 -4.998 -1.957 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.614 -6.133 -1.640 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.207 -6.607 -0.885 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.343 -5.154 -2.916 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.054 -4.875 -1.210 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.684 -3.961 -2.386 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.244 -3.025 -2.736 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.709 -2.791 -0.413 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.214 -2.343 3.333 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.543 -4.310 -3.055 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.537 -5.307 -1.947 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.430 -5.415 0.541 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.171 -4.254 1.915 1.00 0.00 H new