USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 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 57:sc= -1.53! USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.169 (180deg=-0.169) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.555 USER MOD Single : B 1 DC O5' : rot 180:sc= -1.05 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -126:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.194 -1.728 -7.928 1.00 0.00 O ATOM 2 C5' DC A 1 -8.236 -1.930 -8.862 1.00 0.00 C ATOM 3 C4' DC A 1 -9.450 -2.619 -8.227 1.00 0.00 C ATOM 4 O4' DC A 1 -9.041 -3.833 -7.622 1.00 0.00 O ATOM 5 C3' DC A 1 -10.076 -1.755 -7.137 1.00 0.00 C ATOM 6 O3' DC A 1 -11.407 -2.173 -6.926 1.00 0.00 O ATOM 7 C2' DC A 1 -9.207 -2.172 -5.962 1.00 0.00 C ATOM 8 C1' DC A 1 -9.082 -3.677 -6.215 1.00 0.00 C ATOM 9 N1 DC A 1 -7.854 -4.254 -5.626 1.00 0.00 N ATOM 10 C2 DC A 1 -7.913 -5.532 -5.086 1.00 0.00 C ATOM 11 O2 DC A 1 -8.974 -6.151 -5.026 1.00 0.00 O ATOM 12 N3 DC A 1 -6.773 -6.089 -4.580 1.00 0.00 N ATOM 13 C4 DC A 1 -5.610 -5.431 -4.644 1.00 0.00 C ATOM 14 N4 DC A 1 -4.549 -5.942 -4.026 1.00 0.00 N ATOM 15 C5 DC A 1 -5.525 -4.123 -5.209 1.00 0.00 C ATOM 16 C6 DC A 1 -6.669 -3.579 -5.682 1.00 0.00 C ATOM 0 H5' DC A 1 -7.868 -2.535 -9.691 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.541 -0.970 -9.279 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.179 -2.792 -9.019 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.113 -0.683 -7.333 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.239 -1.671 -5.966 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.676 -1.952 -5.003 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.933 -2.588 -7.538 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.920 -4.197 -5.751 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.653 -5.455 -4.063 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.631 -6.821 -3.515 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.587 -3.590 -5.257 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.645 -2.589 -6.113 1.00 0.00 H new ATOM 29 P DG A 2 -12.501 -1.216 -6.228 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.546 -2.083 -5.641 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.877 -0.170 -7.204 1.00 0.00 O ATOM 32 O5' DG A 2 -11.716 -0.504 -5.021 1.00 0.00 O ATOM 33 C5' DG A 2 -11.047 0.722 -5.230 1.00 0.00 C ATOM 34 C4' DG A 2 -10.404 1.172 -3.922 1.00 0.00 C ATOM 35 O4' DG A 2 -9.356 0.268 -3.620 1.00 0.00 O ATOM 36 C3' DG A 2 -9.791 2.567 -4.042 1.00 0.00 C ATOM 37 O3' DG A 2 -9.945 3.207 -2.792 1.00 0.00 O ATOM 38 C2' DG A 2 -8.337 2.236 -4.324 1.00 0.00 C ATOM 39 C1' DG A 2 -8.169 1.009 -3.444 1.00 0.00 C ATOM 40 N9 DG A 2 -7.013 0.208 -3.867 1.00 0.00 N ATOM 41 C8 DG A 2 -6.561 -0.051 -5.132 1.00 0.00 C ATOM 42 N7 DG A 2 -5.513 -0.828 -5.179 1.00 0.00 N ATOM 43 C5 DG A 2 -5.259 -1.112 -3.836 1.00 0.00 C ATOM 44 C6 DG A 2 -4.255 -1.922 -3.223 1.00 0.00 C ATOM 45 O6 DG A 2 -3.366 -2.578 -3.766 1.00 0.00 O ATOM 46 N1 DG A 2 -4.352 -1.934 -1.839 1.00 0.00 N ATOM 47 C2 DG A 2 -5.337 -1.295 -1.121 1.00 0.00 C ATOM 48 N2 DG A 2 -5.313 -1.350 0.204 1.00 0.00 N ATOM 49 N3 DG A 2 -6.278 -0.538 -1.683 1.00 0.00 N ATOM 50 C4 DG A 2 -6.184 -0.491 -3.034 1.00 0.00 C ATOM 0 H5' DG A 2 -11.749 1.478 -5.583 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.287 0.608 -6.003 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.173 1.194 -3.150 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.225 3.224 -4.796 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.155 2.021 -5.377 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.663 3.046 -4.043 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.996 1.285 -2.404 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.031 0.353 -6.016 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.645 -2.452 -1.318 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.037 -0.880 0.747 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.570 -1.862 0.680 1.00 0.00 H new ATOM 62 P DA A 3 -9.220 4.602 -2.434 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.207 5.489 -1.781 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.465 5.073 -3.617 1.00 0.00 O ATOM 65 O5' DA A 3 -8.168 4.117 -1.322 1.00 0.00 O ATOM 66 C5' DA A 3 -8.649 3.599 -0.099 1.00 0.00 C ATOM 67 C4' DA A 3 -7.509 3.325 0.880 1.00 0.00 C ATOM 68 O4' DA A 3 -6.664 2.300 0.382 1.00 0.00 O ATOM 69 C3' DA A 3 -6.664 4.575 1.090 1.00 0.00 C ATOM 70 O3' DA A 3 -6.303 4.630 2.447 1.00 0.00 O ATOM 71 C2' DA A 3 -5.450 4.274 0.236 1.00 0.00 C ATOM 72 C1' DA A 3 -5.330 2.768 0.418 1.00 0.00 C ATOM 73 N9 DA A 3 -4.569 2.201 -0.704 1.00 0.00 N ATOM 74 C8 DA A 3 -4.720 2.471 -2.040 1.00 0.00 C ATOM 75 N7 DA A 3 -3.850 1.875 -2.808 1.00 0.00 N ATOM 76 C5 DA A 3 -3.098 1.127 -1.908 1.00 0.00 C ATOM 77 C6 DA A 3 -2.024 0.243 -2.075 1.00 0.00 C ATOM 78 N6 DA A 3 -1.483 0.046 -3.273 1.00 0.00 N ATOM 79 N1 DA A 3 -1.549 -0.432 -1.013 1.00 0.00 N ATOM 80 C2 DA A 3 -2.103 -0.205 0.180 1.00 0.00 C ATOM 81 N3 DA A 3 -3.075 0.653 0.479 1.00 0.00 N ATOM 82 C4 DA A 3 -3.547 1.286 -0.626 1.00 0.00 C ATOM 0 H5' DA A 3 -9.200 2.677 -0.285 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.350 4.305 0.346 1.00 0.00 H new ATOM 0 H4' DA A 3 -7.956 3.018 1.825 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.149 5.518 0.836 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.601 4.552 -0.807 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.562 4.803 0.582 1.00 0.00 H new ATOM 0 H1' DA A 3 -4.818 2.491 1.340 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.493 3.121 -2.423 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.701 -0.601 -3.380 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.849 0.541 -4.086 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.715 -0.788 1.002 1.00 0.00 H new ATOM 94 P DT A 4 -5.381 5.811 3.022 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.146 7.075 2.947 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.041 5.723 2.395 1.00 0.00 O ATOM 97 O5' DT A 4 -5.280 5.370 4.565 1.00 0.00 O ATOM 98 C5' DT A 4 -5.155 4.008 4.937 1.00 0.00 C ATOM 99 C4' DT A 4 -3.759 3.445 4.675 1.00 0.00 C ATOM 100 O4' DT A 4 -3.517 3.098 3.326 1.00 0.00 O ATOM 101 C3' DT A 4 -2.686 4.456 5.075 1.00 0.00 C ATOM 102 O3' DT A 4 -2.084 4.039 6.276 1.00 0.00 O ATOM 103 C2' DT A 4 -1.733 4.400 3.889 1.00 0.00 C ATOM 104 C1' DT A 4 -2.110 3.094 3.231 1.00 0.00 C ATOM 105 N1 DT A 4 -1.605 3.095 1.852 1.00 0.00 N ATOM 106 C2 DT A 4 -0.614 2.179 1.538 1.00 0.00 C ATOM 107 O2 DT A 4 -0.175 1.377 2.356 1.00 0.00 O ATOM 108 N3 DT A 4 -0.128 2.224 0.246 1.00 0.00 N ATOM 109 C4 DT A 4 -0.535 3.114 -0.734 1.00 0.00 C ATOM 110 O4 DT A 4 -0.054 3.058 -1.864 1.00 0.00 O ATOM 111 C5 DT A 4 -1.558 4.054 -0.312 1.00 0.00 C ATOM 112 C7 DT A 4 -2.114 5.047 -1.305 1.00 0.00 C ATOM 113 C6 DT A 4 -2.048 4.020 0.949 1.00 0.00 C ATOM 0 H5' DT A 4 -5.888 3.418 4.387 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.391 3.903 5.996 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.713 2.538 5.277 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.043 5.468 5.265 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.870 5.248 3.217 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.690 4.409 4.205 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.691 2.195 3.683 1.00 0.00 H new ATOM 0 H3 DT A 4 0.590 1.546 -0.007 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.147 5.280 -1.047 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.519 5.960 -1.279 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.077 4.619 -2.307 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.801 4.735 1.246 1.00 0.00 H new ATOM 126 P DC A 5 -0.974 4.938 7.012 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.352 5.086 8.435 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.687 6.131 6.185 1.00 0.00 O ATOM 129 O5' DC A 5 0.287 3.954 6.921 1.00 0.00 O ATOM 130 C5' DC A 5 0.200 2.678 7.516 1.00 0.00 C ATOM 131 C4' DC A 5 1.519 1.909 7.443 1.00 0.00 C ATOM 132 O4' DC A 5 1.855 1.589 6.106 1.00 0.00 O ATOM 133 C3' DC A 5 2.654 2.745 8.007 1.00 0.00 C ATOM 134 O3' DC A 5 3.607 1.863 8.555 1.00 0.00 O ATOM 135 C2' DC A 5 3.141 3.475 6.760 1.00 0.00 C ATOM 136 C1' DC A 5 2.858 2.474 5.640 1.00 0.00 C ATOM 137 N1 DC A 5 2.385 3.101 4.385 1.00 0.00 N ATOM 138 C2 DC A 5 2.703 2.457 3.202 1.00 0.00 C ATOM 139 O2 DC A 5 3.291 1.379 3.208 1.00 0.00 O ATOM 140 N3 DC A 5 2.446 3.083 2.018 1.00 0.00 N ATOM 141 C4 DC A 5 1.810 4.257 2.004 1.00 0.00 C ATOM 142 N4 DC A 5 1.647 4.849 0.826 1.00 0.00 N ATOM 143 C5 DC A 5 1.323 4.861 3.205 1.00 0.00 C ATOM 144 C6 DC A 5 1.649 4.253 4.371 1.00 0.00 C ATOM 0 H5' DC A 5 -0.581 2.102 7.020 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.097 2.786 8.559 1.00 0.00 H new ATOM 0 H4' DC A 5 1.384 0.996 8.023 1.00 0.00 H new ATOM 0 H3' DC A 5 2.406 3.442 8.807 1.00 0.00 H new ATOM 0 H2' DC A 5 2.607 4.413 6.607 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.201 3.719 6.824 1.00 0.00 H new ATOM 0 H1' DC A 5 3.795 1.970 5.402 1.00 0.00 H new ATOM 0 H41 DC A 5 1.167 5.747 0.769 1.00 0.00 H new ATOM 0 H42 DC A 5 2.002 4.405 -0.021 1.00 0.00 H new ATOM 0 H5 DC A 5 0.724 5.759 3.184 1.00 0.00 H new ATOM 0 H6 DC A 5 1.322 4.686 5.305 1.00 0.00 H new ATOM 156 P DG A 6 4.704 2.386 9.603 1.00 0.00 P ATOM 157 OP1 DG A 6 5.271 1.218 10.313 1.00 0.00 O ATOM 158 OP2 DG A 6 4.121 3.510 10.368 1.00 0.00 O ATOM 159 O5' DG A 6 5.816 2.962 8.612 1.00 0.00 O ATOM 160 C5' DG A 6 6.531 2.080 7.776 1.00 0.00 C ATOM 161 C4' DG A 6 7.332 2.888 6.765 1.00 0.00 C ATOM 162 O4' DG A 6 6.450 3.596 5.927 1.00 0.00 O ATOM 163 C3' DG A 6 8.205 3.919 7.454 1.00 0.00 C ATOM 164 O3' DG A 6 9.570 3.633 7.246 1.00 0.00 O ATOM 165 C2' DG A 6 7.850 5.236 6.793 1.00 0.00 C ATOM 166 C1' DG A 6 7.133 4.769 5.547 1.00 0.00 C ATOM 167 N9 DG A 6 6.151 5.759 5.098 1.00 0.00 N ATOM 168 C8 DG A 6 4.825 5.765 5.403 1.00 0.00 C ATOM 169 N7 DG A 6 4.092 6.487 4.604 1.00 0.00 N ATOM 170 C5 DG A 6 5.028 7.046 3.734 1.00 0.00 C ATOM 171 C6 DG A 6 4.850 7.823 2.551 1.00 0.00 C ATOM 172 O6 DG A 6 3.800 8.133 1.990 1.00 0.00 O ATOM 173 N1 DG A 6 6.053 8.190 1.971 1.00 0.00 N ATOM 174 C2 DG A 6 7.290 7.886 2.484 1.00 0.00 C ATOM 175 N2 DG A 6 8.353 8.436 1.907 1.00 0.00 N ATOM 176 N3 DG A 6 7.472 7.076 3.532 1.00 0.00 N ATOM 177 C4 DG A 6 6.302 6.676 4.093 1.00 0.00 C ATOM 0 H5' DG A 6 5.843 1.410 7.261 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.198 1.456 8.371 1.00 0.00 H new ATOM 0 H4' DG A 6 7.951 2.188 6.204 1.00 0.00 H new ATOM 0 H3' DG A 6 8.041 3.933 8.531 1.00 0.00 H new ATOM 0 H2' DG A 6 7.212 5.853 7.426 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.735 5.828 6.559 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.118 4.309 7.696 1.00 0.00 H new ATOM 0 H1' DG A 6 7.838 4.611 4.731 1.00 0.00 H new ATOM 0 H8 DG A 6 4.414 5.217 6.238 1.00 0.00 H new ATOM 0 H1 DG A 6 6.018 8.723 1.102 1.00 0.00 H new ATOM 0 H21 DG A 6 9.288 8.233 2.261 1.00 0.00 H new ATOM 0 H22 DG A 6 8.234 9.061 1.110 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.164 3.975 -5.927 1.00 0.00 O ATOM 191 C5' DC B 1 9.515 5.199 -5.665 1.00 0.00 C ATOM 192 C4' DC B 1 10.067 5.825 -4.386 1.00 0.00 C ATOM 193 O4' DC B 1 9.181 6.852 -3.956 1.00 0.00 O ATOM 194 C3' DC B 1 10.152 4.748 -3.319 1.00 0.00 C ATOM 195 O3' DC B 1 11.253 5.001 -2.475 1.00 0.00 O ATOM 196 C2' DC B 1 8.837 5.022 -2.638 1.00 0.00 C ATOM 197 C1' DC B 1 8.754 6.518 -2.654 1.00 0.00 C ATOM 198 N1 DC B 1 7.365 6.912 -2.360 1.00 0.00 N ATOM 199 C2 DC B 1 7.120 7.797 -1.315 1.00 0.00 C ATOM 200 O2 DC B 1 8.015 8.503 -0.854 1.00 0.00 O ATOM 201 N3 DC B 1 5.872 7.829 -0.756 1.00 0.00 N ATOM 202 C4 DC B 1 4.904 7.026 -1.217 1.00 0.00 C ATOM 203 N4 DC B 1 3.770 6.910 -0.536 1.00 0.00 N ATOM 204 C5 DC B 1 5.148 6.109 -2.277 1.00 0.00 C ATOM 205 C6 DC B 1 6.374 6.101 -2.823 1.00 0.00 C ATOM 0 H5' DC B 1 8.442 5.036 -5.565 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.657 5.881 -6.503 1.00 0.00 H new ATOM 0 H4' DC B 1 11.056 6.248 -4.564 1.00 0.00 H new ATOM 0 H3' DC B 1 10.294 3.720 -3.653 1.00 0.00 H new ATOM 0 H2' DC B 1 8.003 4.566 -3.172 1.00 0.00 H new ATOM 0 H2'' DC B 1 8.819 4.628 -1.622 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.801 3.582 -6.748 1.00 0.00 H new ATOM 0 H1' DC B 1 9.363 7.033 -1.911 1.00 0.00 H new ATOM 0 H41 DC B 1 3.028 6.301 -0.881 1.00 0.00 H new ATOM 0 H42 DC B 1 3.641 7.430 0.332 1.00 0.00 H new ATOM 0 H5 DC B 1 4.374 5.443 -2.630 1.00 0.00 H new ATOM 0 H6 DC B 1 6.579 5.436 -3.649 1.00 0.00 H new ATOM 218 P DG B 2 11.905 3.835 -1.569 1.00 0.00 P ATOM 219 OP1 DG B 2 10.847 3.183 -0.769 1.00 0.00 O ATOM 220 OP2 DG B 2 13.067 4.427 -0.871 1.00 0.00 O ATOM 221 O5' DG B 2 12.490 2.774 -2.647 1.00 0.00 O ATOM 222 C5' DG B 2 11.702 2.149 -3.648 1.00 0.00 C ATOM 223 C4' DG B 2 10.605 1.255 -3.067 1.00 0.00 C ATOM 224 O4' DG B 2 9.444 2.003 -2.786 1.00 0.00 O ATOM 225 C3' DG B 2 10.150 0.147 -4.020 1.00 0.00 C ATOM 226 O3' DG B 2 10.573 -1.085 -3.480 1.00 0.00 O ATOM 227 C2' DG B 2 8.627 0.274 -4.016 1.00 0.00 C ATOM 228 C1' DG B 2 8.387 1.079 -2.753 1.00 0.00 C ATOM 229 N9 DG B 2 7.098 1.788 -2.754 1.00 0.00 N ATOM 230 C8 DG B 2 6.597 2.663 -3.677 1.00 0.00 C ATOM 231 N7 DG B 2 5.485 3.244 -3.319 1.00 0.00 N ATOM 232 C5 DG B 2 5.230 2.717 -2.054 1.00 0.00 C ATOM 233 C6 DG B 2 4.200 3.006 -1.106 1.00 0.00 C ATOM 234 O6 DG B 2 3.287 3.832 -1.183 1.00 0.00 O ATOM 235 N1 DG B 2 4.317 2.248 0.048 1.00 0.00 N ATOM 236 C2 DG B 2 5.357 1.383 0.309 1.00 0.00 C ATOM 237 N2 DG B 2 5.386 0.728 1.462 1.00 0.00 N ATOM 238 N3 DG B 2 6.337 1.126 -0.556 1.00 0.00 N ATOM 239 C4 DG B 2 6.214 1.822 -1.711 1.00 0.00 C ATOM 0 H5' DG B 2 12.348 1.552 -4.292 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.246 2.915 -4.276 1.00 0.00 H new ATOM 0 H4' DG B 2 11.054 0.820 -2.174 1.00 0.00 H new ATOM 0 H3' DG B 2 10.551 0.214 -5.031 1.00 0.00 H new ATOM 0 H2' DG B 2 8.257 0.786 -4.904 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.136 -0.698 -3.981 1.00 0.00 H new ATOM 0 H1' DG B 2 8.351 0.448 -1.865 1.00 0.00 H new ATOM 0 H8 DG B 2 7.081 2.857 -4.623 1.00 0.00 H new ATOM 0 H1 DG B 2 3.584 2.336 0.752 1.00 0.00 H new ATOM 0 H21 DG B 2 6.152 0.085 1.664 1.00 0.00 H new ATOM 0 H22 DG B 2 4.642 0.867 2.146 1.00 0.00 H new ATOM 251 P DA B 3 10.071 -2.494 -4.075 1.00 0.00 P ATOM 252 OP1 DA B 3 11.156 -3.485 -3.903 1.00 0.00 O ATOM 253 OP2 DA B 3 9.485 -2.260 -5.414 1.00 0.00 O ATOM 254 O5' DA B 3 8.887 -2.866 -3.055 1.00 0.00 O ATOM 255 C5' DA B 3 9.203 -3.213 -1.722 1.00 0.00 C ATOM 256 C4' DA B 3 7.968 -3.714 -0.975 1.00 0.00 C ATOM 257 O4' DA B 3 7.048 -2.663 -0.743 1.00 0.00 O ATOM 258 C3' DA B 3 7.268 -4.805 -1.776 1.00 0.00 C ATOM 259 O3' DA B 3 7.266 -5.976 -0.989 1.00 0.00 O ATOM 260 C2' DA B 3 5.882 -4.221 -2.022 1.00 0.00 C ATOM 261 C1' DA B 3 5.733 -3.140 -0.959 1.00 0.00 C ATOM 262 N9 DA B 3 4.936 -2.024 -1.499 1.00 0.00 N ATOM 263 C8 DA B 3 5.055 -1.430 -2.730 1.00 0.00 C ATOM 264 N7 DA B 3 4.153 -0.524 -2.981 1.00 0.00 N ATOM 265 C5 DA B 3 3.417 -0.481 -1.802 1.00 0.00 C ATOM 266 C6 DA B 3 2.288 0.250 -1.406 1.00 0.00 C ATOM 267 N6 DA B 3 1.619 1.050 -2.227 1.00 0.00 N ATOM 268 N1 DA B 3 1.838 0.147 -0.146 1.00 0.00 N ATOM 269 C2 DA B 3 2.455 -0.696 0.679 1.00 0.00 C ATOM 270 N3 DA B 3 3.471 -1.511 0.405 1.00 0.00 N ATOM 271 C4 DA B 3 3.920 -1.347 -0.868 1.00 0.00 C ATOM 0 H5' DA B 3 9.617 -2.347 -1.206 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.973 -3.985 -1.717 1.00 0.00 H new ATOM 0 H4' DA B 3 8.306 -4.112 -0.018 1.00 0.00 H new ATOM 0 H3' DA B 3 7.732 -5.081 -2.723 1.00 0.00 H new ATOM 0 H2' DA B 3 5.798 -3.805 -3.026 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.107 -4.982 -1.926 1.00 0.00 H new ATOM 0 H1' DA B 3 5.252 -3.520 -0.058 1.00 0.00 H new ATOM 0 H8 DA B 3 5.832 -1.692 -3.433 1.00 0.00 H new ATOM 0 H61 DA B 3 0.803 1.560 -1.889 1.00 0.00 H new ATOM 0 H62 DA B 3 1.921 1.154 -3.196 1.00 0.00 H new ATOM 0 H2 DA B 3 2.086 -0.722 1.694 1.00 0.00 H new ATOM 283 P DT B 4 6.426 -7.283 -1.403 1.00 0.00 P ATOM 284 OP1 DT B 4 7.082 -8.473 -0.818 1.00 0.00 O ATOM 285 OP2 DT B 4 6.124 -7.228 -2.850 1.00 0.00 O ATOM 286 O5' DT B 4 5.086 -6.985 -0.581 1.00 0.00 O ATOM 287 C5' DT B 4 5.170 -6.832 0.820 1.00 0.00 C ATOM 288 C4' DT B 4 3.884 -6.223 1.364 1.00 0.00 C ATOM 289 O4' DT B 4 3.617 -4.995 0.706 1.00 0.00 O ATOM 290 C3' DT B 4 2.704 -7.161 1.118 1.00 0.00 C ATOM 291 O3' DT B 4 2.028 -7.374 2.336 1.00 0.00 O ATOM 292 C2' DT B 4 1.858 -6.356 0.150 1.00 0.00 C ATOM 293 C1' DT B 4 2.222 -4.936 0.520 1.00 0.00 C ATOM 294 N1 DT B 4 1.853 -4.072 -0.608 1.00 0.00 N ATOM 295 C2 DT B 4 0.841 -3.146 -0.411 1.00 0.00 C ATOM 296 O2 DT B 4 0.289 -2.991 0.673 1.00 0.00 O ATOM 297 N3 DT B 4 0.467 -2.413 -1.520 1.00 0.00 N ATOM 298 C4 DT B 4 0.973 -2.570 -2.797 1.00 0.00 C ATOM 299 O4 DT B 4 0.548 -1.884 -3.721 1.00 0.00 O ATOM 300 C5 DT B 4 2.004 -3.583 -2.917 1.00 0.00 C ATOM 301 C7 DT B 4 2.636 -3.862 -4.257 1.00 0.00 C ATOM 302 C6 DT B 4 2.405 -4.290 -1.839 1.00 0.00 C ATOM 0 H5' DT B 4 6.017 -6.195 1.073 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.348 -7.800 1.288 1.00 0.00 H new ATOM 0 H4' DT B 4 4.011 -6.061 2.434 1.00 0.00 H new ATOM 0 H3' DT B 4 2.967 -8.147 0.734 1.00 0.00 H new ATOM 0 H2' DT B 4 2.100 -6.582 -0.889 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.793 -6.551 0.279 1.00 0.00 H new ATOM 0 H1' DT B 4 1.722 -4.542 1.405 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.244 -1.694 -1.385 1.00 0.00 H new ATOM 0 H71 DT B 4 3.663 -4.198 -4.112 1.00 0.00 H new ATOM 0 H72 DT B 4 2.070 -4.638 -4.772 1.00 0.00 H new ATOM 0 H73 DT B 4 2.633 -2.952 -4.857 1.00 0.00 H new ATOM 0 H6 DT B 4 3.174 -5.040 -1.951 1.00 0.00 H new ATOM 315 P DC B 5 0.738 -8.331 2.419 1.00 0.00 P ATOM 316 OP1 DC B 5 0.887 -9.221 3.591 1.00 0.00 O ATOM 317 OP2 DC B 5 0.476 -8.902 1.080 1.00 0.00 O ATOM 318 O5' DC B 5 -0.426 -7.273 2.736 1.00 0.00 O ATOM 319 C5' DC B 5 -0.415 -6.563 3.958 1.00 0.00 C ATOM 320 C4' DC B 5 -1.794 -5.993 4.304 1.00 0.00 C ATOM 321 O4' DC B 5 -2.147 -4.908 3.460 1.00 0.00 O ATOM 322 C3' DC B 5 -2.837 -7.083 4.110 1.00 0.00 C ATOM 323 O3' DC B 5 -3.914 -6.883 4.995 1.00 0.00 O ATOM 324 C2' DC B 5 -3.205 -6.843 2.654 1.00 0.00 C ATOM 325 C1' DC B 5 -3.002 -5.359 2.428 1.00 0.00 C ATOM 326 N1 DC B 5 -2.403 -5.091 1.100 1.00 0.00 N ATOM 327 C2 DC B 5 -2.652 -3.861 0.508 1.00 0.00 C ATOM 328 O2 DC B 5 -3.189 -2.950 1.134 1.00 0.00 O ATOM 329 N3 DC B 5 -2.400 -3.710 -0.823 1.00 0.00 N ATOM 330 C4 DC B 5 -1.795 -4.683 -1.509 1.00 0.00 C ATOM 331 N4 DC B 5 -1.628 -4.509 -2.816 1.00 0.00 N ATOM 332 C5 DC B 5 -1.376 -5.898 -0.880 1.00 0.00 C ATOM 333 C6 DC B 5 -1.731 -6.065 0.416 1.00 0.00 C ATOM 0 H5' DC B 5 0.309 -5.750 3.898 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.085 -7.225 4.759 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.757 -5.641 5.335 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.514 -8.104 4.312 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.575 -7.432 1.987 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.237 -7.133 2.456 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.958 -4.835 2.447 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.170 -5.231 -3.372 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.958 -3.653 -3.263 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.805 -6.644 -1.412 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.478 -6.986 0.919 1.00 0.00 H new ATOM 345 P DG B 6 -4.916 -8.088 5.360 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.919 -8.274 6.827 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.633 -9.231 4.463 1.00 0.00 O ATOM 348 O5' DG B 6 -6.312 -7.445 4.923 1.00 0.00 O ATOM 349 C5' DG B 6 -6.740 -6.243 5.526 1.00 0.00 C ATOM 350 C4' DG B 6 -7.811 -5.578 4.669 1.00 0.00 C ATOM 351 O4' DG B 6 -7.315 -5.480 3.348 1.00 0.00 O ATOM 352 C3' DG B 6 -9.073 -6.430 4.639 1.00 0.00 C ATOM 353 O3' DG B 6 -10.220 -5.612 4.574 1.00 0.00 O ATOM 354 C2' DG B 6 -8.940 -7.201 3.348 1.00 0.00 C ATOM 355 C1' DG B 6 -8.135 -6.251 2.489 1.00 0.00 C ATOM 356 N9 DG B 6 -7.299 -7.048 1.587 1.00 0.00 N ATOM 357 C8 DG B 6 -6.070 -7.560 1.855 1.00 0.00 C ATOM 358 N7 DG B 6 -5.408 -7.952 0.801 1.00 0.00 N ATOM 359 C5 DG B 6 -6.315 -7.745 -0.239 1.00 0.00 C ATOM 360 C6 DG B 6 -6.158 -7.851 -1.654 1.00 0.00 C ATOM 361 O6 DG B 6 -5.134 -8.079 -2.300 1.00 0.00 O ATOM 362 N1 DG B 6 -7.332 -7.584 -2.339 1.00 0.00 N ATOM 363 C2 DG B 6 -8.520 -7.244 -1.742 1.00 0.00 C ATOM 364 N2 DG B 6 -9.599 -7.146 -2.512 1.00 0.00 N ATOM 365 N3 DG B 6 -8.651 -7.022 -0.433 1.00 0.00 N ATOM 366 C4 DG B 6 -7.509 -7.276 0.255 1.00 0.00 C ATOM 0 H5' DG B 6 -5.893 -5.568 5.651 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.135 -6.447 6.521 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.049 -4.598 5.083 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.177 -7.060 5.522 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.428 -8.152 3.493 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.911 -7.426 2.906 1.00 0.00 H new ATOM 0 HO3' DG B 6 -11.022 -6.175 4.554 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.780 -5.595 1.905 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.674 -7.636 2.857 1.00 0.00 H new ATOM 0 H1 DG B 6 -7.312 -7.644 -3.357 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.498 -6.895 -2.101 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.528 -7.322 -3.514 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.659 3.204 2.952 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.643 3.909 2.248 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.044 4.599 1.194 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.679 4.455 1.339 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.591 5.043 0.679 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.307 4.890 1.213 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.125 4.100 2.356 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.209 3.436 2.950 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.469 3.655 2.440 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.948 3.805 2.753 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.926 4.692 2.340 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.185 2.966 3.776 1.00 0.00 N HETATM 391 C2 PPZ A 7 10.160 2.312 4.320 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.868 2.377 4.008 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.732 5.839 1.466 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.534 6.681 1.916 1.00 0.00 C HETATM 395 O8 PPZ A 7 10.891 7.650 2.879 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.384 7.494 3.703 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.096 7.177 1.050 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.767 6.026 2.330 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.632 6.454 1.463 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.576 5.498 0.443 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.873 4.526 2.681 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.414 1.630 5.132 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.743 5.612 -0.238 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.455 5.381 0.744 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.130 4.000 2.789 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.057 2.763 3.794 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.597 -3.187 0.926 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.588 -3.115 -0.060 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.013 -3.378 -1.305 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.705 -3.760 -1.073 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.695 -4.255 -1.912 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.521 -4.765 -1.343 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.376 -4.771 0.052 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.348 -4.178 0.873 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.499 -3.703 0.287 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.886 -2.845 0.401 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.977 -3.060 -0.421 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.068 -2.564 1.701 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.021 -2.607 2.522 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.760 -2.927 2.246 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.945 -3.661 -1.745 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.146 -4.967 -1.720 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.925 -6.058 -1.278 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.472 -6.502 -0.531 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.763 -5.176 -2.719 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.282 -4.850 -1.066 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.961 -3.856 -2.087 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.497 -2.967 -2.456 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.888 -2.770 -0.066 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.225 -2.345 3.560 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.823 -4.243 -2.994 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.726 -5.154 -1.979 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.501 -5.240 0.502 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.195 -4.096 1.949 1.00 0.00 H new