USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 264 hydrogens (15 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: A 6 DG H21 : A 6 DG N2 : A 25 BPJ C1 :(H bumps) USER MOD NoAdj-H: A 25 BPJH12A : A 25 BPJ C1 : A 6 DG N2 :(H bumps) USER MOD Single : A 1 DC O5' : rot 37:sc= 0.00545 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.19 (180deg=-1.19) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0667 (180deg=-0.0667) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 BPJ O2 : rot 147:sc= 0.0418 USER MOD Single : A 25 BPJ O3 : rot 180:sc= -0.204 USER MOD Single : A 25 BPJ O4 : rot -170:sc= 0 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.465 (180deg=-0.465) USER MOD Single : B 20 DT C7 :methyl 150:sc= -1.03 (180deg=-1.03) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.485 -18.140 5.842 1.00 0.31 O ATOM 2 C5' DC A 1 12.099 -19.108 4.858 1.00 0.28 C ATOM 3 C4' DC A 1 10.783 -18.738 4.191 1.00 0.23 C ATOM 4 O4' DC A 1 9.773 -18.603 5.190 1.00 0.22 O ATOM 5 C3' DC A 1 10.888 -17.421 3.457 1.00 0.21 C ATOM 6 O3' DC A 1 11.245 -17.700 2.085 1.00 0.20 O ATOM 7 C2' DC A 1 9.473 -16.958 3.586 1.00 0.18 C ATOM 8 C1' DC A 1 8.746 -17.828 4.574 1.00 0.18 C ATOM 9 N1 DC A 1 8.071 -17.048 5.610 1.00 0.15 N ATOM 10 C2 DC A 1 6.721 -17.219 5.834 1.00 0.14 C ATOM 11 O2 DC A 1 6.053 -18.000 5.168 1.00 0.14 O ATOM 12 N3 DC A 1 6.135 -16.488 6.811 1.00 0.14 N ATOM 13 C4 DC A 1 6.847 -15.623 7.537 1.00 0.15 C ATOM 14 N4 DC A 1 6.206 -14.950 8.484 1.00 0.16 N ATOM 15 C5 DC A 1 8.252 -15.442 7.299 1.00 0.18 C ATOM 16 C6 DC A 1 8.802 -16.180 6.331 1.00 0.17 C ATOM 0 H5' DC A 1 12.006 -20.087 5.328 1.00 0.28 H new ATOM 0 H5'' DC A 1 12.880 -19.190 4.102 1.00 0.28 H new ATOM 0 H4' DC A 1 10.536 -19.526 3.479 1.00 0.23 H new ATOM 0 H3' DC A 1 11.622 -16.701 3.817 1.00 0.21 H new ATOM 0 H2' DC A 1 9.448 -15.919 3.914 1.00 0.18 H new ATOM 0 H2'' DC A 1 8.977 -16.998 2.616 1.00 0.18 H new ATOM 0 HO5' DC A 1 11.688 -17.813 6.309 1.00 0.31 H new ATOM 0 H1' DC A 1 7.978 -18.417 4.073 1.00 0.18 H new ATOM 0 H41 DC A 1 6.710 -14.279 9.063 1.00 0.16 H new ATOM 0 H42 DC A 1 5.209 -15.104 8.633 1.00 0.16 H new ATOM 0 H5 DC A 1 8.837 -14.741 7.876 1.00 0.18 H new ATOM 0 H6 DC A 1 9.857 -16.077 6.123 1.00 0.17 H new ATOM 29 P DC A 2 10.808 -16.841 0.777 1.00 0.16 P ATOM 30 OP1 DC A 2 11.408 -17.485 -0.413 1.00 0.19 O ATOM 31 OP2 DC A 2 11.084 -15.413 1.058 1.00 0.19 O ATOM 32 O5' DC A 2 9.198 -17.038 0.713 1.00 0.14 O ATOM 33 C5' DC A 2 8.512 -18.260 0.360 1.00 0.15 C ATOM 34 C4' DC A 2 6.983 -18.064 0.389 1.00 0.12 C ATOM 35 O4' DC A 2 6.520 -17.698 1.708 1.00 0.12 O ATOM 36 C3' DC A 2 6.527 -16.970 -0.590 1.00 0.11 C ATOM 37 O3' DC A 2 5.588 -17.484 -1.553 1.00 0.11 O ATOM 38 C2' DC A 2 5.940 -15.946 0.325 1.00 0.09 C ATOM 39 C1' DC A 2 5.498 -16.695 1.574 1.00 0.09 C ATOM 40 N1 DC A 2 5.552 -15.786 2.718 1.00 0.08 N ATOM 41 C2 DC A 2 4.469 -15.558 3.562 1.00 0.10 C ATOM 42 O2 DC A 2 3.385 -16.114 3.421 1.00 0.11 O ATOM 43 N3 DC A 2 4.637 -14.676 4.586 1.00 0.10 N ATOM 44 C4 DC A 2 5.806 -14.053 4.764 1.00 0.11 C ATOM 45 N4 DC A 2 5.931 -13.194 5.768 1.00 0.13 N ATOM 46 C5 DC A 2 6.894 -14.309 3.880 1.00 0.12 C ATOM 47 C6 DC A 2 6.713 -15.164 2.902 1.00 0.11 C ATOM 0 H5' DC A 2 8.794 -19.053 1.053 1.00 0.15 H new ATOM 0 H5'' DC A 2 8.822 -18.581 -0.634 1.00 0.15 H new ATOM 0 H4' DC A 2 6.555 -19.022 0.095 1.00 0.12 H new ATOM 0 H3' DC A 2 7.325 -16.562 -1.209 1.00 0.11 H new ATOM 0 H2' DC A 2 6.673 -15.178 0.571 1.00 0.09 H new ATOM 0 H2'' DC A 2 5.096 -15.442 -0.146 1.00 0.09 H new ATOM 0 H1' DC A 2 4.488 -17.100 1.521 1.00 0.09 H new ATOM 0 H41 DC A 2 6.816 -12.710 5.918 1.00 0.13 H new ATOM 0 H42 DC A 2 5.142 -13.018 6.390 1.00 0.13 H new ATOM 0 H5 DC A 2 7.844 -13.812 4.012 1.00 0.12 H new ATOM 0 H6 DC A 2 7.530 -15.369 2.227 1.00 0.11 H new ATOM 59 P DA A 3 4.804 -16.582 -2.645 1.00 0.10 P ATOM 60 OP1 DA A 3 4.264 -17.491 -3.681 1.00 0.14 O ATOM 61 OP2 DA A 3 5.692 -15.465 -3.042 1.00 0.13 O ATOM 62 O5' DA A 3 3.564 -15.961 -1.808 1.00 0.12 O ATOM 63 C5' DA A 3 2.362 -16.696 -1.500 1.00 0.11 C ATOM 64 C4' DA A 3 1.318 -15.862 -0.783 1.00 0.12 C ATOM 65 O4' DA A 3 1.771 -15.416 0.514 1.00 0.12 O ATOM 66 C3' DA A 3 0.883 -14.636 -1.584 1.00 0.11 C ATOM 67 O3' DA A 3 -0.497 -14.700 -1.979 1.00 0.13 O ATOM 68 C2' DA A 3 1.172 -13.546 -0.596 1.00 0.11 C ATOM 69 C1' DA A 3 1.122 -14.168 0.775 1.00 0.11 C ATOM 70 N9 DA A 3 1.916 -13.389 1.750 1.00 0.10 N ATOM 71 C8 DA A 3 3.190 -12.972 1.586 1.00 0.09 C ATOM 72 N7 DA A 3 3.703 -12.309 2.638 1.00 0.10 N ATOM 73 C5 DA A 3 2.675 -12.308 3.522 1.00 0.10 C ATOM 74 C6 DA A 3 2.560 -11.779 4.811 1.00 0.13 C ATOM 75 N6 DA A 3 3.562 -11.147 5.412 1.00 0.13 N ATOM 76 N1 DA A 3 1.394 -11.936 5.450 1.00 0.14 N ATOM 77 C2 DA A 3 0.402 -12.582 4.846 1.00 0.14 C ATOM 78 N3 DA A 3 0.386 -13.128 3.636 1.00 0.13 N ATOM 79 C4 DA A 3 1.574 -12.954 3.014 1.00 0.10 C ATOM 0 H5' DA A 3 2.618 -17.556 -0.881 1.00 0.11 H new ATOM 0 H5'' DA A 3 1.935 -17.085 -2.424 1.00 0.11 H new ATOM 0 H4' DA A 3 0.465 -16.530 -0.665 1.00 0.12 H new ATOM 0 H3' DA A 3 1.391 -14.510 -2.540 1.00 0.11 H new ATOM 0 H2' DA A 3 2.151 -13.105 -0.784 1.00 0.11 H new ATOM 0 H2'' DA A 3 0.439 -12.744 -0.682 1.00 0.11 H new ATOM 0 H1' DA A 3 0.120 -14.234 1.199 1.00 0.11 H new ATOM 0 H8 DA A 3 3.752 -13.156 0.682 1.00 0.09 H new ATOM 0 H61 DA A 3 3.439 -10.775 6.354 1.00 0.13 H new ATOM 0 H62 DA A 3 4.455 -11.034 4.932 1.00 0.13 H new ATOM 0 H2 DA A 3 -0.512 -12.675 5.414 1.00 0.14 H new ATOM 91 P DT A 4 -1.268 -13.497 -2.742 1.00 0.14 P ATOM 92 OP1 DT A 4 -2.305 -14.094 -3.614 1.00 0.17 O ATOM 93 OP2 DT A 4 -0.259 -12.581 -3.321 1.00 0.15 O ATOM 94 O5' DT A 4 -2.001 -12.726 -1.529 1.00 0.16 O ATOM 95 C5' DT A 4 -3.113 -13.312 -0.832 1.00 0.18 C ATOM 96 C4' DT A 4 -3.740 -12.365 0.191 1.00 0.16 C ATOM 97 O4' DT A 4 -2.792 -12.009 1.221 1.00 0.14 O ATOM 98 C3' DT A 4 -4.250 -11.064 -0.442 1.00 0.17 C ATOM 99 O3' DT A 4 -5.425 -10.582 0.231 1.00 0.16 O ATOM 100 C2' DT A 4 -3.060 -10.179 -0.162 1.00 0.14 C ATOM 101 C1' DT A 4 -2.679 -10.582 1.257 1.00 0.11 C ATOM 102 N1 DT A 4 -1.312 -10.212 1.691 1.00 0.10 N ATOM 103 C2 DT A 4 -1.136 -9.765 2.991 1.00 0.11 C ATOM 104 O2 DT A 4 -2.049 -9.638 3.798 1.00 0.12 O ATOM 105 N3 DT A 4 0.150 -9.453 3.352 1.00 0.10 N ATOM 106 C4 DT A 4 1.264 -9.543 2.550 1.00 0.10 C ATOM 107 O4 DT A 4 2.360 -9.240 3.005 1.00 0.11 O ATOM 108 C5 DT A 4 0.990 -10.013 1.215 1.00 0.10 C ATOM 109 C7 DT A 4 2.088 -10.176 0.172 1.00 0.10 C ATOM 110 C6 DT A 4 -0.248 -10.323 0.842 1.00 0.10 C ATOM 0 H5' DT A 4 -2.781 -14.218 -0.325 1.00 0.18 H new ATOM 0 H5'' DT A 4 -3.872 -13.611 -1.555 1.00 0.18 H new ATOM 0 H4' DT A 4 -4.583 -12.911 0.615 1.00 0.16 H new ATOM 0 H3' DT A 4 -4.548 -11.136 -1.488 1.00 0.17 H new ATOM 0 H2' DT A 4 -2.247 -10.356 -0.867 1.00 0.14 H new ATOM 0 H2'' DT A 4 -3.315 -9.121 -0.229 1.00 0.14 H new ATOM 0 H1' DT A 4 -3.318 -10.063 1.971 1.00 0.11 H new ATOM 0 H3 DT A 4 0.294 -9.123 4.306 1.00 0.10 H new ATOM 0 H71 DT A 4 1.823 -10.982 -0.513 1.00 0.10 H new ATOM 0 H72 DT A 4 2.200 -9.247 -0.387 1.00 0.10 H new ATOM 0 H73 DT A 4 3.028 -10.416 0.668 1.00 0.10 H new ATOM 0 H6 DT A 4 -0.418 -10.674 -0.165 1.00 0.10 H new ATOM 123 P DC A 5 -6.166 -9.196 -0.156 1.00 0.17 P ATOM 124 OP1 DC A 5 -6.869 -9.413 -1.442 1.00 0.19 O ATOM 125 OP2 DC A 5 -5.201 -8.079 -0.032 1.00 0.16 O ATOM 126 O5' DC A 5 -7.287 -9.042 0.995 1.00 0.18 O ATOM 127 C5' DC A 5 -7.105 -9.214 2.415 1.00 0.17 C ATOM 128 C4' DC A 5 -6.316 -8.114 3.144 1.00 0.15 C ATOM 129 O4' DC A 5 -4.889 -8.105 2.915 1.00 0.14 O ATOM 130 C3' DC A 5 -6.825 -6.693 2.865 1.00 0.14 C ATOM 131 O3' DC A 5 -7.495 -6.145 4.011 1.00 0.15 O ATOM 132 C2' DC A 5 -5.523 -5.980 2.467 1.00 0.14 C ATOM 133 C1' DC A 5 -4.407 -6.764 3.144 1.00 0.14 C ATOM 134 N1 DC A 5 -3.040 -6.645 2.565 1.00 0.13 N ATOM 135 C2 DC A 5 -1.957 -6.303 3.380 1.00 0.12 C ATOM 136 O2 DC A 5 -2.077 -6.025 4.573 1.00 0.12 O ATOM 137 N3 DC A 5 -0.720 -6.256 2.822 1.00 0.13 N ATOM 138 C4 DC A 5 -0.536 -6.525 1.527 1.00 0.14 C ATOM 139 N4 DC A 5 0.695 -6.476 1.031 1.00 0.16 N ATOM 140 C5 DC A 5 -1.632 -6.867 0.681 1.00 0.14 C ATOM 141 C6 DC A 5 -2.851 -6.911 1.245 1.00 0.13 C ATOM 0 H5' DC A 5 -6.598 -10.165 2.581 1.00 0.17 H new ATOM 0 H5'' DC A 5 -8.089 -9.292 2.878 1.00 0.17 H new ATOM 0 H4' DC A 5 -6.498 -8.390 4.183 1.00 0.15 H new ATOM 0 H3' DC A 5 -7.589 -6.607 2.092 1.00 0.14 H new ATOM 0 H2' DC A 5 -5.396 -5.971 1.385 1.00 0.14 H new ATOM 0 H2'' DC A 5 -5.528 -4.941 2.796 1.00 0.14 H new ATOM 0 H1' DC A 5 -4.253 -6.419 4.167 1.00 0.14 H new ATOM 0 H41 DC A 5 0.856 -6.678 0.044 1.00 0.16 H new ATOM 0 H42 DC A 5 1.480 -6.236 1.637 1.00 0.16 H new ATOM 0 H5 DC A 5 -1.489 -7.081 -0.368 1.00 0.14 H new ATOM 0 H6 DC A 5 -3.704 -7.165 0.633 1.00 0.13 H new ATOM 153 P DG A 6 -8.158 -4.673 4.001 1.00 0.14 P ATOM 154 OP1 DG A 6 -9.065 -4.560 5.167 1.00 0.17 O ATOM 155 OP2 DG A 6 -8.669 -4.394 2.639 1.00 0.22 O ATOM 156 O5' DG A 6 -6.864 -3.754 4.257 1.00 0.16 O ATOM 157 C5' DG A 6 -6.274 -3.630 5.560 1.00 0.15 C ATOM 158 C4' DG A 6 -4.996 -2.797 5.536 1.00 0.12 C ATOM 159 O4' DG A 6 -3.933 -3.387 4.777 1.00 0.12 O ATOM 160 C3' DG A 6 -5.231 -1.451 4.863 1.00 0.11 C ATOM 161 O3' DG A 6 -5.825 -0.515 5.772 1.00 0.13 O ATOM 162 C2' DG A 6 -3.829 -1.102 4.371 1.00 0.13 C ATOM 163 C1' DG A 6 -2.970 -2.329 4.684 1.00 0.10 C ATOM 164 N9 DG A 6 -1.981 -2.664 3.637 1.00 0.09 N ATOM 165 C8 DG A 6 -2.172 -3.225 2.409 1.00 0.10 C ATOM 166 N7 DG A 6 -1.023 -3.408 1.719 1.00 0.10 N ATOM 167 C5 DG A 6 -0.068 -2.935 2.562 1.00 0.08 C ATOM 168 C6 DG A 6 1.343 -2.858 2.401 1.00 0.09 C ATOM 169 O6 DG A 6 2.045 -3.185 1.447 1.00 0.11 O ATOM 170 N1 DG A 6 1.962 -2.307 3.502 1.00 0.08 N ATOM 171 C2 DG A 6 1.323 -1.872 4.638 1.00 0.07 C ATOM 172 N2 DG A 6 2.101 -1.326 5.575 1.00 0.08 N ATOM 173 N3 DG A 6 -0.001 -1.942 4.796 1.00 0.07 N ATOM 174 C4 DG A 6 -0.629 -2.478 3.730 1.00 0.07 C ATOM 0 H5' DG A 6 -6.052 -4.622 5.952 1.00 0.15 H new ATOM 0 H5'' DG A 6 -6.992 -3.172 6.240 1.00 0.15 H new ATOM 0 H4' DG A 6 -4.721 -2.716 6.588 1.00 0.12 H new ATOM 0 H3' DG A 6 -5.948 -1.449 4.042 1.00 0.11 H new ATOM 0 H2' DG A 6 -3.830 -0.886 3.303 1.00 0.13 H new ATOM 0 H2'' DG A 6 -3.445 -0.215 4.875 1.00 0.13 H new ATOM 0 H1' DG A 6 -2.374 -2.157 5.580 1.00 0.10 H new ATOM 0 H8 DG A 6 -3.144 -3.496 2.025 1.00 0.10 H new ATOM 0 H1 DG A 6 2.977 -2.215 3.471 1.00 0.08 H new ATOM 0 H22 DG A 6 3.107 -1.252 5.423 1.00 0.08 H new ATOM 185 P DC A 7 -6.927 0.563 5.290 1.00 0.11 P ATOM 186 OP1 DC A 7 -7.848 0.823 6.420 1.00 0.18 O ATOM 187 OP2 DC A 7 -7.482 0.135 3.985 1.00 0.15 O ATOM 188 O5' DC A 7 -6.040 1.886 5.041 1.00 0.12 O ATOM 189 C5' DC A 7 -5.548 2.693 6.120 1.00 0.12 C ATOM 190 C4' DC A 7 -4.482 1.989 6.986 1.00 0.11 C ATOM 191 O4' DC A 7 -3.346 1.520 6.244 1.00 0.11 O ATOM 192 C3' DC A 7 -3.942 2.856 8.087 1.00 0.12 C ATOM 193 O3' DC A 7 -3.399 2.008 9.117 1.00 0.11 O ATOM 194 C2' DC A 7 -2.887 3.522 7.265 1.00 0.12 C ATOM 195 C1' DC A 7 -2.251 2.422 6.492 1.00 0.11 C ATOM 196 N1 DC A 7 -1.748 2.967 5.202 1.00 0.10 N ATOM 197 C2 DC A 7 -0.578 3.719 5.168 1.00 0.11 C ATOM 198 O2 DC A 7 0.097 3.951 6.170 1.00 0.13 O ATOM 199 N3 DC A 7 -0.171 4.210 3.969 1.00 0.12 N ATOM 200 C4 DC A 7 -0.872 3.980 2.852 1.00 0.11 C ATOM 201 N4 DC A 7 -0.431 4.484 1.708 1.00 0.12 N ATOM 202 C5 DC A 7 -2.071 3.214 2.868 1.00 0.12 C ATOM 203 C6 DC A 7 -2.465 2.731 4.059 1.00 0.12 C ATOM 0 H5' DC A 7 -6.385 2.984 6.755 1.00 0.12 H new ATOM 0 H5'' DC A 7 -5.124 3.610 5.712 1.00 0.12 H new ATOM 0 H4' DC A 7 -5.032 1.143 7.399 1.00 0.11 H new ATOM 0 H3' DC A 7 -4.617 3.528 8.617 1.00 0.12 H new ATOM 0 H2' DC A 7 -3.318 4.272 6.602 1.00 0.12 H new ATOM 0 H2'' DC A 7 -2.160 4.033 7.895 1.00 0.12 H new ATOM 0 H1' DC A 7 -1.413 1.949 7.004 1.00 0.11 H new ATOM 0 H41 DC A 7 -0.950 4.321 0.845 1.00 0.12 H new ATOM 0 H42 DC A 7 0.427 5.035 1.691 1.00 0.12 H new ATOM 0 H5 DC A 7 -2.637 3.030 1.967 1.00 0.12 H new ATOM 0 H6 DC A 7 -3.369 2.143 4.116 1.00 0.12 H new ATOM 215 P DT A 8 -3.733 2.157 10.687 1.00 0.10 P ATOM 216 OP1 DT A 8 -3.508 0.851 11.348 1.00 0.14 O ATOM 217 OP2 DT A 8 -5.048 2.823 10.821 1.00 0.14 O ATOM 218 O5' DT A 8 -2.601 3.189 11.195 1.00 0.12 O ATOM 219 C5' DT A 8 -1.282 2.777 11.607 1.00 0.12 C ATOM 220 C4' DT A 8 -0.277 3.914 11.445 1.00 0.11 C ATOM 221 O4' DT A 8 -0.186 4.276 10.059 1.00 0.12 O ATOM 222 C3' DT A 8 -0.687 5.134 12.256 1.00 0.12 C ATOM 223 O3' DT A 8 0.232 5.311 13.357 1.00 0.13 O ATOM 224 C2' DT A 8 -0.616 6.207 11.227 1.00 0.12 C ATOM 225 C1' DT A 8 0.186 5.648 10.050 1.00 0.10 C ATOM 226 N1 DT A 8 -0.289 6.248 8.795 1.00 0.08 N ATOM 227 C2 DT A 8 0.591 6.749 7.875 1.00 0.11 C ATOM 228 O2 DT A 8 1.810 6.729 8.002 1.00 0.13 O ATOM 229 N3 DT A 8 0.011 7.301 6.765 1.00 0.11 N ATOM 230 C4 DT A 8 -1.331 7.404 6.480 1.00 0.11 C ATOM 231 O4 DT A 8 -1.670 7.910 5.413 1.00 0.15 O ATOM 232 C5 DT A 8 -2.175 6.848 7.522 1.00 0.11 C ATOM 233 C7 DT A 8 -3.706 6.873 7.535 1.00 0.16 C ATOM 234 C6 DT A 8 -1.618 6.307 8.592 1.00 0.08 C ATOM 0 H5' DT A 8 -0.964 1.919 11.015 1.00 0.12 H new ATOM 0 H5'' DT A 8 -1.307 2.455 12.648 1.00 0.12 H new ATOM 0 H4' DT A 8 0.690 3.568 11.810 1.00 0.11 H new ATOM 0 H3' DT A 8 -1.667 5.091 12.732 1.00 0.12 H new ATOM 0 H2' DT A 8 -1.616 6.501 10.907 1.00 0.12 H new ATOM 0 H2'' DT A 8 -0.136 7.098 11.632 1.00 0.12 H new ATOM 0 H1' DT A 8 1.258 5.833 10.126 1.00 0.10 H new ATOM 0 H3 DT A 8 0.649 7.681 6.066 1.00 0.11 H new ATOM 0 H71 DT A 8 -4.080 6.000 8.070 1.00 0.16 H new ATOM 0 H72 DT A 8 -4.051 7.779 8.034 1.00 0.16 H new ATOM 0 H73 DT A 8 -4.079 6.858 6.511 1.00 0.16 H new ATOM 0 H6 DT A 8 -2.267 5.888 9.347 1.00 0.08 H new ATOM 247 P DA A 9 0.752 6.707 14.013 1.00 0.12 P ATOM 248 OP1 DA A 9 1.356 6.388 15.326 1.00 0.17 O ATOM 249 OP2 DA A 9 -0.351 7.693 13.944 1.00 0.16 O ATOM 250 O5' DA A 9 1.940 7.213 13.021 1.00 0.14 O ATOM 251 C5' DA A 9 3.183 6.488 12.943 1.00 0.16 C ATOM 252 C4' DA A 9 4.335 7.206 12.231 1.00 0.15 C ATOM 253 O4' DA A 9 4.080 7.482 10.848 1.00 0.13 O ATOM 254 C3' DA A 9 4.741 8.475 12.920 1.00 0.15 C ATOM 255 O3' DA A 9 6.167 8.614 13.005 1.00 0.17 O ATOM 256 C2' DA A 9 4.049 9.431 12.064 1.00 0.15 C ATOM 257 C1' DA A 9 4.106 8.899 10.678 1.00 0.14 C ATOM 258 N9 DA A 9 2.900 9.230 9.919 1.00 0.13 N ATOM 259 C8 DA A 9 1.631 9.066 10.332 1.00 0.14 C ATOM 260 N7 DA A 9 0.701 9.401 9.418 1.00 0.14 N ATOM 261 C5 DA A 9 1.461 9.804 8.364 1.00 0.14 C ATOM 262 C6 DA A 9 1.126 10.279 7.094 1.00 0.15 C ATOM 263 N6 DA A 9 -0.134 10.394 6.695 1.00 0.17 N ATOM 264 N1 DA A 9 2.128 10.603 6.266 1.00 0.17 N ATOM 265 C2 DA A 9 3.385 10.462 6.677 1.00 0.17 C ATOM 266 N3 DA A 9 3.828 10.025 7.840 1.00 0.16 N ATOM 267 C4 DA A 9 2.799 9.710 8.648 1.00 0.14 C ATOM 0 H5' DA A 9 2.998 5.543 12.432 1.00 0.16 H new ATOM 0 H5'' DA A 9 3.503 6.245 13.956 1.00 0.16 H new ATOM 0 H4' DA A 9 5.158 6.493 12.282 1.00 0.15 H new ATOM 0 H3' DA A 9 4.476 8.575 13.973 1.00 0.15 H new ATOM 0 H2' DA A 9 3.015 9.558 12.386 1.00 0.15 H new ATOM 0 H2'' DA A 9 4.523 10.411 12.120 1.00 0.15 H new ATOM 0 H1' DA A 9 4.973 9.301 10.153 1.00 0.14 H new ATOM 0 H8 DA A 9 1.379 8.696 11.315 1.00 0.14 H new ATOM 0 H61 DA A 9 -0.343 10.745 5.760 1.00 0.17 H new ATOM 0 H62 DA A 9 -0.894 10.132 7.323 1.00 0.17 H new ATOM 0 H2 DA A 9 4.145 10.743 5.963 1.00 0.17 H new ATOM 279 P DC A 10 6.881 9.902 13.667 1.00 0.15 P ATOM 280 OP1 DC A 10 8.309 9.578 13.886 1.00 0.18 O ATOM 281 OP2 DC A 10 6.053 10.376 14.799 1.00 0.20 O ATOM 282 O5' DC A 10 6.769 10.972 12.465 1.00 0.18 O ATOM 283 C5' DC A 10 7.632 10.895 11.318 1.00 0.17 C ATOM 284 C4' DC A 10 7.300 11.946 10.265 1.00 0.15 C ATOM 285 O4' DC A 10 6.024 11.715 9.696 1.00 0.15 O ATOM 286 C3' DC A 10 7.305 13.348 10.870 1.00 0.16 C ATOM 287 O3' DC A 10 8.463 14.135 10.522 1.00 0.18 O ATOM 288 C2' DC A 10 6.043 13.905 10.326 1.00 0.13 C ATOM 289 C1' DC A 10 5.590 12.998 9.242 1.00 0.13 C ATOM 290 N1 DC A 10 4.136 12.912 9.243 1.00 0.11 N ATOM 291 C2 DC A 10 3.373 13.250 8.148 1.00 0.10 C ATOM 292 O2 DC A 10 3.862 13.695 7.114 1.00 0.12 O ATOM 293 N3 DC A 10 2.034 13.089 8.255 1.00 0.11 N ATOM 294 C4 DC A 10 1.478 12.621 9.376 1.00 0.11 C ATOM 295 N4 DC A 10 0.160 12.496 9.361 1.00 0.12 N ATOM 296 C5 DC A 10 2.284 12.273 10.518 1.00 0.12 C ATOM 297 C6 DC A 10 3.594 12.446 10.379 1.00 0.12 C ATOM 0 H5' DC A 10 7.553 9.903 10.874 1.00 0.17 H new ATOM 0 H5'' DC A 10 8.667 11.019 11.637 1.00 0.17 H new ATOM 0 H4' DC A 10 8.066 11.872 9.493 1.00 0.15 H new ATOM 0 H3' DC A 10 7.361 13.345 11.959 1.00 0.16 H new ATOM 0 H2' DC A 10 5.287 13.977 11.108 1.00 0.13 H new ATOM 0 H2'' DC A 10 6.202 14.913 9.942 1.00 0.13 H new ATOM 0 H1' DC A 10 5.952 13.320 8.266 1.00 0.13 H new ATOM 0 H41 DC A 10 -0.328 12.144 10.185 1.00 0.12 H new ATOM 0 H42 DC A 10 -0.367 12.751 8.526 1.00 0.12 H new ATOM 0 H5 DC A 10 1.850 11.894 11.432 1.00 0.12 H new ATOM 0 H6 DC A 10 4.244 12.204 11.207 1.00 0.12 H new ATOM 309 P DC A 11 8.964 14.460 9.007 1.00 0.16 P ATOM 310 OP1 DC A 11 8.930 13.212 8.211 1.00 0.18 O ATOM 311 OP2 DC A 11 10.223 15.232 9.112 1.00 0.20 O ATOM 312 O5' DC A 11 7.828 15.454 8.432 1.00 0.18 O ATOM 313 C5' DC A 11 7.968 16.121 7.164 1.00 0.17 C ATOM 314 C4' DC A 11 6.811 17.082 6.898 1.00 0.14 C ATOM 315 O4' DC A 11 5.533 16.433 6.863 1.00 0.14 O ATOM 316 C3' DC A 11 6.686 18.098 8.013 1.00 0.17 C ATOM 317 O3' DC A 11 7.626 19.173 7.989 1.00 0.22 O ATOM 318 C2' DC A 11 5.239 18.518 7.910 1.00 0.18 C ATOM 319 C1' DC A 11 4.561 17.481 7.024 1.00 0.15 C ATOM 320 N1 DC A 11 3.388 16.951 7.735 1.00 0.14 N ATOM 321 C2 DC A 11 2.110 17.064 7.218 1.00 0.14 C ATOM 322 O2 DC A 11 1.880 17.596 6.135 1.00 0.16 O ATOM 323 N3 DC A 11 1.088 16.555 7.949 1.00 0.15 N ATOM 324 C4 DC A 11 1.305 15.960 9.128 1.00 0.14 C ATOM 325 N4 DC A 11 0.251 15.500 9.789 1.00 0.16 N ATOM 326 C5 DC A 11 2.633 15.841 9.657 1.00 0.14 C ATOM 327 C6 DC A 11 3.616 16.354 8.920 1.00 0.14 C ATOM 0 H5' DC A 11 8.015 15.379 6.366 1.00 0.17 H new ATOM 0 H5'' DC A 11 8.909 16.671 7.144 1.00 0.17 H new ATOM 0 H4' DC A 11 7.047 17.529 5.932 1.00 0.14 H new ATOM 0 H3' DC A 11 6.943 17.673 8.983 1.00 0.17 H new ATOM 0 H2' DC A 11 4.773 18.554 8.895 1.00 0.18 H new ATOM 0 H2'' DC A 11 5.152 19.515 7.479 1.00 0.18 H new ATOM 0 HO3' DC A 11 7.459 19.771 8.747 1.00 0.22 H new ATOM 0 H1' DC A 11 4.237 17.891 6.067 1.00 0.15 H new ATOM 0 H41 DC A 11 0.375 15.040 10.691 1.00 0.16 H new ATOM 0 H42 DC A 11 -0.684 15.606 9.395 1.00 0.16 H new ATOM 0 H5 DC A 11 2.826 15.360 10.605 1.00 0.14 H new ATOM 0 H6 DC A 11 4.630 16.289 9.285 1.00 0.14 H new TER 340 DC A 11 ATOM 341 O5' DG B 12 -8.838 15.140 3.109 1.00 0.23 O ATOM 342 C5' DG B 12 -8.468 15.895 1.953 1.00 0.21 C ATOM 343 C4' DG B 12 -6.958 15.913 1.752 1.00 0.21 C ATOM 344 O4' DG B 12 -6.312 16.497 2.908 1.00 0.23 O ATOM 345 C3' DG B 12 -6.404 14.478 1.546 1.00 0.19 C ATOM 346 O3' DG B 12 -5.457 14.197 0.494 1.00 0.22 O ATOM 347 C2' DG B 12 -5.724 14.324 2.880 1.00 0.19 C ATOM 348 C1' DG B 12 -5.166 15.695 3.188 1.00 0.20 C ATOM 349 N9 DG B 12 -4.713 15.723 4.588 1.00 0.19 N ATOM 350 C8 DG B 12 -5.413 15.393 5.697 1.00 0.21 C ATOM 351 N7 DG B 12 -4.700 15.483 6.840 1.00 0.20 N ATOM 352 C5 DG B 12 -3.476 15.899 6.411 1.00 0.18 C ATOM 353 C6 DG B 12 -2.289 16.174 7.150 1.00 0.16 C ATOM 354 O6 DG B 12 -2.067 16.091 8.356 1.00 0.18 O ATOM 355 N1 DG B 12 -1.260 16.575 6.328 1.00 0.15 N ATOM 356 C2 DG B 12 -1.345 16.701 4.966 1.00 0.14 C ATOM 357 N2 DG B 12 -0.261 17.090 4.323 1.00 0.15 N ATOM 358 N3 DG B 12 -2.438 16.449 4.259 1.00 0.15 N ATOM 359 C4 DG B 12 -3.465 16.053 5.043 1.00 0.17 C ATOM 0 H5' DG B 12 -8.834 16.917 2.053 1.00 0.21 H new ATOM 0 H5'' DG B 12 -8.948 15.469 1.071 1.00 0.21 H new ATOM 0 H4' DG B 12 -6.749 16.507 0.862 1.00 0.21 H new ATOM 0 H3' DG B 12 -7.206 13.808 1.236 1.00 0.19 H new ATOM 0 H2' DG B 12 -6.427 14.001 3.648 1.00 0.19 H new ATOM 0 H2'' DG B 12 -4.933 13.575 2.837 1.00 0.19 H new ATOM 0 HO5' DG B 12 -9.813 15.151 3.209 1.00 0.23 H new ATOM 0 H1' DG B 12 -4.290 16.025 2.629 1.00 0.20 H new ATOM 0 H8 DG B 12 -6.448 15.086 5.671 1.00 0.21 H new ATOM 0 H1 DG B 12 -0.366 16.795 6.766 1.00 0.15 H new ATOM 0 H21 DG B 12 -0.280 17.197 3.309 1.00 0.15 H new ATOM 0 H22 DG B 12 0.597 17.284 4.840 1.00 0.15 H new ATOM 372 P DG B 13 -4.966 15.161 -0.704 1.00 0.15 P ATOM 373 OP1 DG B 13 -6.133 15.914 -1.216 1.00 0.19 O ATOM 374 OP2 DG B 13 -4.131 14.358 -1.628 1.00 0.19 O ATOM 375 O5' DG B 13 -4.014 16.166 0.121 1.00 0.18 O ATOM 376 C5' DG B 13 -3.021 17.037 -0.445 1.00 0.17 C ATOM 377 C4' DG B 13 -1.595 16.457 -0.396 1.00 0.17 C ATOM 378 O4' DG B 13 -1.167 16.204 0.954 1.00 0.18 O ATOM 379 C3' DG B 13 -1.302 15.221 -1.230 1.00 0.16 C ATOM 380 O3' DG B 13 -0.069 15.353 -1.966 1.00 0.18 O ATOM 381 C2' DG B 13 -1.206 14.215 -0.181 1.00 0.17 C ATOM 382 C1' DG B 13 -0.581 14.901 0.987 1.00 0.17 C ATOM 383 N9 DG B 13 -0.904 14.298 2.284 1.00 0.13 N ATOM 384 C8 DG B 13 -2.063 13.726 2.681 1.00 0.16 C ATOM 385 N7 DG B 13 -2.059 13.321 3.970 1.00 0.15 N ATOM 386 C5 DG B 13 -0.813 13.661 4.393 1.00 0.11 C ATOM 387 C6 DG B 13 -0.199 13.490 5.662 1.00 0.10 C ATOM 388 O6 DG B 13 -0.654 13.022 6.701 1.00 0.12 O ATOM 389 N1 DG B 13 1.089 13.965 5.672 1.00 0.12 N ATOM 390 C2 DG B 13 1.727 14.546 4.606 1.00 0.12 C ATOM 391 N2 DG B 13 2.972 14.939 4.787 1.00 0.16 N ATOM 392 N3 DG B 13 1.171 14.721 3.415 1.00 0.11 N ATOM 393 C4 DG B 13 -0.095 14.254 3.380 1.00 0.11 C ATOM 0 H5' DG B 13 -3.037 17.988 0.088 1.00 0.17 H new ATOM 0 H5'' DG B 13 -3.283 17.249 -1.482 1.00 0.17 H new ATOM 0 H4' DG B 13 -1.025 17.259 -0.864 1.00 0.17 H new ATOM 0 H3' DG B 13 -2.042 15.003 -2.001 1.00 0.16 H new ATOM 0 H2' DG B 13 -2.190 13.824 0.076 1.00 0.17 H new ATOM 0 H2'' DG B 13 -0.602 13.368 -0.506 1.00 0.17 H new ATOM 0 H1' DG B 13 0.505 14.859 0.906 1.00 0.17 H new ATOM 0 H8 DG B 13 -2.914 13.604 2.028 1.00 0.16 H new ATOM 0 H1 DG B 13 1.614 13.879 6.542 1.00 0.12 H new ATOM 0 H21 DG B 13 3.485 15.376 4.022 1.00 0.16 H new ATOM 0 H22 DG B 13 3.422 14.806 5.693 1.00 0.16 H new ATOM 405 P DT B 14 0.617 14.169 -2.834 1.00 0.17 P ATOM 406 OP1 DT B 14 -0.096 14.103 -4.130 1.00 0.20 O ATOM 407 OP2 DT B 14 0.706 12.952 -1.997 1.00 0.20 O ATOM 408 O5' DT B 14 2.115 14.706 -3.140 1.00 0.20 O ATOM 409 C5' DT B 14 3.096 15.206 -2.206 1.00 0.19 C ATOM 410 C4' DT B 14 3.608 14.207 -1.151 1.00 0.16 C ATOM 411 O4' DT B 14 2.736 13.905 -0.041 1.00 0.17 O ATOM 412 C3' DT B 14 4.125 12.896 -1.737 1.00 0.14 C ATOM 413 O3' DT B 14 5.553 12.771 -1.574 1.00 0.16 O ATOM 414 C2' DT B 14 3.238 11.968 -0.972 1.00 0.14 C ATOM 415 C1' DT B 14 3.126 12.596 0.397 1.00 0.14 C ATOM 416 N1 DT B 14 2.174 12.019 1.361 1.00 0.13 N ATOM 417 C2 DT B 14 2.502 11.877 2.704 1.00 0.12 C ATOM 418 O2 DT B 14 3.582 12.191 3.191 1.00 0.11 O ATOM 419 N3 DT B 14 1.511 11.349 3.502 1.00 0.11 N ATOM 420 C4 DT B 14 0.255 10.962 3.091 1.00 0.12 C ATOM 421 O4 DT B 14 -0.532 10.520 3.920 1.00 0.14 O ATOM 422 C5 DT B 14 0.027 11.154 1.673 1.00 0.15 C ATOM 423 C7 DT B 14 -1.274 10.829 0.971 1.00 0.18 C ATOM 424 C6 DT B 14 0.973 11.657 0.901 1.00 0.14 C ATOM 0 H5' DT B 14 2.667 16.063 -1.686 1.00 0.19 H new ATOM 0 H5'' DT B 14 3.952 15.573 -2.773 1.00 0.19 H new ATOM 0 H4' DT B 14 4.433 14.786 -0.737 1.00 0.16 H new ATOM 0 H3' DT B 14 4.064 12.735 -2.813 1.00 0.14 H new ATOM 0 H2' DT B 14 2.261 11.872 -1.446 1.00 0.14 H new ATOM 0 H2'' DT B 14 3.665 10.967 -0.916 1.00 0.14 H new ATOM 0 H1' DT B 14 4.031 12.483 0.994 1.00 0.14 H new ATOM 0 H3 DT B 14 1.728 11.234 4.492 1.00 0.11 H new ATOM 0 H71 DT B 14 -1.406 11.499 0.122 1.00 0.18 H new ATOM 0 H72 DT B 14 -1.250 9.798 0.619 1.00 0.18 H new ATOM 0 H73 DT B 14 -2.104 10.956 1.666 1.00 0.18 H new ATOM 0 H6 DT B 14 0.766 11.782 -0.152 1.00 0.14 H new ATOM 437 P DA B 15 6.377 11.785 -0.584 1.00 0.12 P ATOM 438 OP1 DA B 15 7.807 11.858 -0.959 1.00 0.16 O ATOM 439 OP2 DA B 15 5.694 10.471 -0.573 1.00 0.14 O ATOM 440 O5' DA B 15 6.201 12.470 0.866 1.00 0.19 O ATOM 441 C5' DA B 15 7.210 12.516 1.896 1.00 0.13 C ATOM 442 C4' DA B 15 7.527 11.162 2.552 1.00 0.13 C ATOM 443 O4' DA B 15 6.318 10.552 3.018 1.00 0.19 O ATOM 444 C3' DA B 15 8.266 10.131 1.692 1.00 0.12 C ATOM 445 O3' DA B 15 9.441 9.720 2.400 1.00 0.17 O ATOM 446 C2' DA B 15 7.227 9.072 1.496 1.00 0.13 C ATOM 447 C1' DA B 15 6.328 9.162 2.692 1.00 0.14 C ATOM 448 N9 DA B 15 4.913 8.875 2.416 1.00 0.13 N ATOM 449 C8 DA B 15 4.210 8.975 1.259 1.00 0.14 C ATOM 450 N7 DA B 15 2.896 8.689 1.391 1.00 0.16 N ATOM 451 C5 DA B 15 2.785 8.392 2.711 1.00 0.12 C ATOM 452 C6 DA B 15 1.700 8.013 3.512 1.00 0.12 C ATOM 453 N6 DA B 15 0.444 7.872 3.083 1.00 0.13 N ATOM 454 N1 DA B 15 1.961 7.793 4.799 1.00 0.13 N ATOM 455 C2 DA B 15 3.182 7.929 5.288 1.00 0.12 C ATOM 456 N3 DA B 15 4.272 8.280 4.644 1.00 0.12 N ATOM 457 C4 DA B 15 3.998 8.498 3.344 1.00 0.11 C ATOM 0 H5' DA B 15 6.887 13.212 2.670 1.00 0.13 H new ATOM 0 H5'' DA B 15 8.128 12.920 1.468 1.00 0.13 H new ATOM 0 H4' DA B 15 8.215 11.426 3.355 1.00 0.13 H new ATOM 0 H3' DA B 15 8.639 10.468 0.725 1.00 0.12 H new ATOM 0 H2' DA B 15 6.670 9.236 0.574 1.00 0.13 H new ATOM 0 H2'' DA B 15 7.683 8.085 1.422 1.00 0.13 H new ATOM 0 H1' DA B 15 6.692 8.455 3.437 1.00 0.14 H new ATOM 0 H8 DA B 15 4.660 9.257 0.319 1.00 0.14 H new ATOM 0 H61 DA B 15 -0.289 7.592 3.735 1.00 0.13 H new ATOM 0 H62 DA B 15 0.217 8.045 2.104 1.00 0.13 H new ATOM 0 H2 DA B 15 3.297 7.727 6.343 1.00 0.12 H new ATOM 469 P DG B 16 10.729 9.000 1.743 1.00 0.14 P ATOM 470 OP1 DG B 16 11.940 9.750 2.151 1.00 0.18 O ATOM 471 OP2 DG B 16 10.464 8.745 0.309 1.00 0.20 O ATOM 472 O5' DG B 16 10.707 7.597 2.528 1.00 0.20 O ATOM 473 C5' DG B 16 10.755 7.516 3.965 1.00 0.17 C ATOM 474 C4' DG B 16 9.776 6.469 4.484 1.00 0.15 C ATOM 475 O4' DG B 16 8.415 6.804 4.173 1.00 0.13 O ATOM 476 C3' DG B 16 10.054 5.137 3.818 1.00 0.16 C ATOM 477 O3' DG B 16 11.052 4.400 4.544 1.00 0.18 O ATOM 478 C2' DG B 16 8.666 4.525 3.913 1.00 0.15 C ATOM 479 C1' DG B 16 7.698 5.587 4.401 1.00 0.13 C ATOM 480 N9 DG B 16 6.474 5.548 3.591 1.00 0.11 N ATOM 481 C8 DG B 16 6.429 5.700 2.258 1.00 0.12 C ATOM 482 N7 DG B 16 5.196 5.602 1.729 1.00 0.12 N ATOM 483 C5 DG B 16 4.420 5.370 2.818 1.00 0.10 C ATOM 484 C6 DG B 16 3.022 5.173 2.899 1.00 0.11 C ATOM 485 O6 DG B 16 2.186 5.179 2.002 1.00 0.13 O ATOM 486 N1 DG B 16 2.599 4.957 4.184 1.00 0.11 N ATOM 487 C2 DG B 16 3.408 4.933 5.289 1.00 0.11 C ATOM 488 N2 DG B 16 2.815 4.703 6.448 1.00 0.12 N ATOM 489 N3 DG B 16 4.730 5.121 5.239 1.00 0.12 N ATOM 490 C4 DG B 16 5.170 5.332 3.974 1.00 0.10 C ATOM 0 H5' DG B 16 10.516 8.488 4.396 1.00 0.17 H new ATOM 0 H5'' DG B 16 11.766 7.265 4.285 1.00 0.17 H new ATOM 0 H4' DG B 16 9.909 6.425 5.565 1.00 0.15 H new ATOM 0 H3' DG B 16 10.458 5.173 2.806 1.00 0.16 H new ATOM 0 H2' DG B 16 8.353 4.147 2.940 1.00 0.15 H new ATOM 0 H2'' DG B 16 8.673 3.677 4.598 1.00 0.15 H new ATOM 0 H1' DG B 16 7.391 5.462 5.439 1.00 0.13 H new ATOM 0 H8 DG B 16 7.309 5.885 1.660 1.00 0.12 H new ATOM 0 H1 DG B 16 1.601 4.802 4.330 1.00 0.11 H new ATOM 0 H21 DG B 16 3.366 4.673 7.306 1.00 0.12 H new ATOM 0 H22 DG B 16 1.806 4.555 6.484 1.00 0.12 H new ATOM 502 P DC B 17 11.785 3.058 3.997 1.00 0.19 P ATOM 503 OP1 DC B 17 12.990 2.818 4.823 1.00 0.24 O ATOM 504 OP2 DC B 17 11.912 3.165 2.526 1.00 0.23 O ATOM 505 O5' DC B 17 10.713 1.896 4.322 1.00 0.17 O ATOM 506 C5' DC B 17 10.175 1.750 5.645 1.00 0.14 C ATOM 507 C4' DC B 17 9.153 0.627 5.766 1.00 0.12 C ATOM 508 O4' DC B 17 8.107 0.693 4.780 1.00 0.12 O ATOM 509 C3' DC B 17 9.775 -0.754 5.604 1.00 0.12 C ATOM 510 O3' DC B 17 10.333 -1.160 6.872 1.00 0.14 O ATOM 511 C2' DC B 17 8.587 -1.559 5.077 1.00 0.12 C ATOM 512 C1' DC B 17 7.438 -0.573 4.881 1.00 0.12 C ATOM 513 N1 DC B 17 6.616 -0.873 3.679 1.00 0.12 N ATOM 514 C2 DC B 17 5.407 -1.545 3.851 1.00 0.10 C ATOM 515 O2 DC B 17 4.978 -1.860 4.955 1.00 0.11 O ATOM 516 N3 DC B 17 4.667 -1.842 2.758 1.00 0.12 N ATOM 517 C4 DC B 17 5.075 -1.500 1.536 1.00 0.15 C ATOM 518 N4 DC B 17 4.297 -1.832 0.512 1.00 0.16 N ATOM 519 C5 DC B 17 6.311 -0.805 1.331 1.00 0.16 C ATOM 520 C6 DC B 17 7.044 -0.513 2.428 1.00 0.15 C ATOM 0 H5' DC B 17 9.709 2.689 5.944 1.00 0.14 H new ATOM 0 H5'' DC B 17 10.992 1.563 6.342 1.00 0.14 H new ATOM 0 H4' DC B 17 8.748 0.769 6.768 1.00 0.12 H new ATOM 0 H3' DC B 17 10.622 -0.859 4.926 1.00 0.12 H new ATOM 0 H2' DC B 17 8.839 -2.050 4.137 1.00 0.12 H new ATOM 0 H2'' DC B 17 8.308 -2.343 5.781 1.00 0.12 H new ATOM 0 H1' DC B 17 6.715 -0.610 5.696 1.00 0.12 H new ATOM 0 H41 DC B 17 4.574 -1.588 -0.439 1.00 0.16 H new ATOM 0 H42 DC B 17 3.423 -2.331 0.677 1.00 0.16 H new ATOM 0 H5 DC B 17 6.643 -0.526 0.342 1.00 0.16 H new ATOM 0 H6 DC B 17 7.981 0.012 2.317 1.00 0.15 H new ATOM 532 P DG B 18 10.174 -2.592 7.609 1.00 0.15 P ATOM 533 OP1 DG B 18 10.799 -2.501 8.947 1.00 0.19 O ATOM 534 OP2 DG B 18 10.597 -3.655 6.668 1.00 0.18 O ATOM 535 O5' DG B 18 8.570 -2.684 7.803 1.00 0.14 O ATOM 536 C5' DG B 18 7.805 -1.620 8.404 1.00 0.13 C ATOM 537 C4' DG B 18 6.392 -2.015 8.744 1.00 0.11 C ATOM 538 O4' DG B 18 5.592 -2.382 7.611 1.00 0.10 O ATOM 539 C3' DG B 18 6.404 -3.196 9.718 1.00 0.11 C ATOM 540 O3' DG B 18 5.651 -2.933 10.917 1.00 0.11 O ATOM 541 C2' DG B 18 5.856 -4.258 8.819 1.00 0.11 C ATOM 542 C1' DG B 18 4.824 -3.524 7.998 1.00 0.09 C ATOM 543 N9 DG B 18 4.463 -4.248 6.775 1.00 0.08 N ATOM 544 C8 DG B 18 5.357 -4.767 5.917 1.00 0.09 C ATOM 545 N7 DG B 18 4.813 -5.348 4.834 1.00 0.10 N ATOM 546 C5 DG B 18 3.480 -5.181 5.039 1.00 0.09 C ATOM 547 C6 DG B 18 2.389 -5.590 4.230 1.00 0.09 C ATOM 548 O6 DG B 18 2.399 -6.174 3.152 1.00 0.11 O ATOM 549 N1 DG B 18 1.182 -5.244 4.779 1.00 0.09 N ATOM 550 C2 DG B 18 1.011 -4.579 5.964 1.00 0.09 C ATOM 551 N2 DG B 18 -0.244 -4.353 6.321 1.00 0.10 N ATOM 552 N3 DG B 18 2.024 -4.178 6.742 1.00 0.08 N ATOM 553 C4 DG B 18 3.232 -4.513 6.218 1.00 0.08 C ATOM 0 H5' DG B 18 7.782 -0.770 7.723 1.00 0.13 H new ATOM 0 H5'' DG B 18 8.310 -1.288 9.311 1.00 0.13 H new ATOM 0 H4' DG B 18 5.941 -1.126 9.185 1.00 0.11 H new ATOM 0 H3' DG B 18 7.368 -3.458 10.153 1.00 0.11 H new ATOM 0 H2' DG B 18 6.633 -4.693 8.191 1.00 0.11 H new ATOM 0 H2'' DG B 18 5.411 -5.075 9.387 1.00 0.11 H new ATOM 0 H1' DG B 18 3.891 -3.351 8.535 1.00 0.09 H new ATOM 0 H8 DG B 18 6.423 -4.721 6.083 1.00 0.09 H new ATOM 0 H1 DG B 18 0.342 -5.503 4.262 1.00 0.09 H new ATOM 0 H21 DG B 18 -0.446 -3.862 7.192 1.00 0.10 H new ATOM 0 H22 DG B 18 -1.009 -4.669 5.725 1.00 0.10 H new ATOM 565 P DA B 19 5.129 -4.067 11.946 1.00 0.12 P ATOM 566 OP1 DA B 19 5.173 -3.506 13.316 1.00 0.16 O ATOM 567 OP2 DA B 19 5.828 -5.339 11.649 1.00 0.16 O ATOM 568 O5' DA B 19 3.584 -4.236 11.509 1.00 0.13 O ATOM 569 C5' DA B 19 2.593 -3.222 11.770 1.00 0.11 C ATOM 570 C4' DA B 19 1.168 -3.788 11.677 1.00 0.10 C ATOM 571 O4' DA B 19 0.835 -4.236 10.353 1.00 0.13 O ATOM 572 C3' DA B 19 0.908 -4.913 12.651 1.00 0.11 C ATOM 573 O3' DA B 19 -0.420 -4.857 13.191 1.00 0.13 O ATOM 574 C2' DA B 19 1.165 -6.053 11.753 1.00 0.11 C ATOM 575 C1' DA B 19 0.610 -5.648 10.414 1.00 0.13 C ATOM 576 N9 DA B 19 1.406 -6.252 9.335 1.00 0.11 N ATOM 577 C8 DA B 19 2.752 -6.197 9.218 1.00 0.10 C ATOM 578 N7 DA B 19 3.239 -6.819 8.131 1.00 0.11 N ATOM 579 C5 DA B 19 2.118 -7.293 7.533 1.00 0.09 C ATOM 580 C6 DA B 19 1.933 -8.028 6.364 1.00 0.09 C ATOM 581 N6 DA B 19 2.955 -8.396 5.603 1.00 0.11 N ATOM 582 N1 DA B 19 0.681 -8.356 6.023 1.00 0.10 N ATOM 583 C2 DA B 19 -0.330 -7.975 6.799 1.00 0.12 C ATOM 584 N3 DA B 19 -0.285 -7.280 7.924 1.00 0.12 N ATOM 585 C4 DA B 19 0.988 -6.965 8.241 1.00 0.10 C ATOM 0 H5' DA B 19 2.709 -2.407 11.056 1.00 0.11 H new ATOM 0 H5'' DA B 19 2.754 -2.802 12.763 1.00 0.11 H new ATOM 0 H4' DA B 19 0.527 -2.947 11.941 1.00 0.10 H new ATOM 0 H3' DA B 19 1.508 -4.924 13.561 1.00 0.11 H new ATOM 0 H2' DA B 19 2.232 -6.267 11.687 1.00 0.11 H new ATOM 0 H2'' DA B 19 0.681 -6.958 12.120 1.00 0.11 H new ATOM 0 H1' DA B 19 -0.432 -5.948 10.303 1.00 0.13 H new ATOM 0 H8 DA B 19 3.382 -5.696 9.937 1.00 0.10 H new ATOM 0 H61 DA B 19 2.790 -8.934 4.752 1.00 0.11 H new ATOM 0 H62 DA B 19 3.906 -8.141 5.869 1.00 0.11 H new ATOM 0 H2 DA B 19 -1.314 -8.271 6.468 1.00 0.12 H new ATOM 597 P DT B 20 -1.018 -5.957 14.213 1.00 0.14 P ATOM 598 OP1 DT B 20 -2.184 -5.346 14.891 1.00 0.21 O ATOM 599 OP2 DT B 20 0.094 -6.508 15.022 1.00 0.19 O ATOM 600 O5' DT B 20 -1.547 -7.114 13.218 1.00 0.12 O ATOM 601 C5' DT B 20 -2.752 -6.967 12.445 1.00 0.11 C ATOM 602 C4' DT B 20 -3.024 -8.190 11.565 1.00 0.11 C ATOM 603 O4' DT B 20 -2.022 -8.378 10.548 1.00 0.12 O ATOM 604 C3' DT B 20 -3.176 -9.474 12.361 1.00 0.11 C ATOM 605 O3' DT B 20 -4.418 -10.120 12.060 1.00 0.12 O ATOM 606 C2' DT B 20 -1.942 -10.212 11.878 1.00 0.11 C ATOM 607 C1' DT B 20 -1.784 -9.782 10.421 1.00 0.11 C ATOM 608 N1 DT B 20 -0.437 -9.973 9.824 1.00 0.11 N ATOM 609 C2 DT B 20 -0.317 -10.582 8.585 1.00 0.12 C ATOM 610 O2 DT B 20 -1.268 -11.009 7.939 1.00 0.14 O ATOM 611 N3 DT B 20 0.963 -10.696 8.090 1.00 0.12 N ATOM 612 C4 DT B 20 2.118 -10.268 8.703 1.00 0.12 C ATOM 613 O4 DT B 20 3.189 -10.433 8.129 1.00 0.13 O ATOM 614 C5 DT B 20 1.895 -9.649 9.988 1.00 0.10 C ATOM 615 C7 DT B 20 3.023 -9.095 10.848 1.00 0.12 C ATOM 616 C6 DT B 20 0.666 -9.530 10.482 1.00 0.10 C ATOM 0 H5' DT B 20 -2.674 -6.079 11.817 1.00 0.11 H new ATOM 0 H5'' DT B 20 -3.596 -6.809 13.116 1.00 0.11 H new ATOM 0 H4' DT B 20 -3.976 -7.972 11.081 1.00 0.11 H new ATOM 0 H3' DT B 20 -3.224 -9.379 13.446 1.00 0.11 H new ATOM 0 H2' DT B 20 -1.065 -9.946 12.468 1.00 0.11 H new ATOM 0 H2'' DT B 20 -2.067 -11.292 11.962 1.00 0.11 H new ATOM 0 H1' DT B 20 -2.433 -10.365 9.768 1.00 0.11 H new ATOM 0 H3 DT B 20 1.065 -11.142 7.178 1.00 0.12 H new ATOM 0 H71 DT B 20 2.651 -8.261 11.443 1.00 0.12 H new ATOM 0 H72 DT B 20 3.393 -9.877 11.511 1.00 0.12 H new ATOM 0 H73 DT B 20 3.834 -8.750 10.206 1.00 0.12 H new ATOM 0 H6 DT B 20 0.539 -9.061 11.447 1.00 0.10 H new ATOM 629 P DG B 21 -4.875 -11.459 12.832 1.00 0.12 P ATOM 630 OP1 DG B 21 -6.343 -11.602 12.687 1.00 0.15 O ATOM 631 OP2 DG B 21 -4.266 -11.459 14.182 1.00 0.15 O ATOM 632 O5' DG B 21 -4.146 -12.585 11.944 1.00 0.13 O ATOM 633 C5' DG B 21 -4.726 -13.075 10.726 1.00 0.11 C ATOM 634 C4' DG B 21 -3.847 -14.118 10.042 1.00 0.09 C ATOM 635 O4' DG B 21 -2.653 -13.606 9.444 1.00 0.11 O ATOM 636 C3' DG B 21 -3.428 -15.225 11.009 1.00 0.10 C ATOM 637 O3' DG B 21 -4.266 -16.387 10.864 1.00 0.10 O ATOM 638 C2' DG B 21 -1.954 -15.368 10.665 1.00 0.11 C ATOM 639 C1' DG B 21 -1.784 -14.739 9.318 1.00 0.10 C ATOM 640 N9 DG B 21 -0.421 -14.241 9.120 1.00 0.10 N ATOM 641 C8 DG B 21 0.253 -13.427 9.956 1.00 0.11 C ATOM 642 N7 DG B 21 1.497 -13.118 9.531 1.00 0.11 N ATOM 643 C5 DG B 21 1.593 -13.787 8.350 1.00 0.10 C ATOM 644 C6 DG B 21 2.670 -13.852 7.424 1.00 0.10 C ATOM 645 O6 DG B 21 3.775 -13.320 7.461 1.00 0.12 O ATOM 646 N1 DG B 21 2.368 -14.644 6.339 1.00 0.09 N ATOM 647 C2 DG B 21 1.179 -15.301 6.149 1.00 0.08 C ATOM 648 N2 DG B 21 1.062 -16.028 5.051 1.00 0.08 N ATOM 649 N3 DG B 21 0.161 -15.254 7.002 1.00 0.08 N ATOM 650 C4 DG B 21 0.435 -14.479 8.078 1.00 0.09 C ATOM 0 H5' DG B 21 -4.892 -12.241 10.045 1.00 0.11 H new ATOM 0 H5'' DG B 21 -5.702 -13.511 10.941 1.00 0.11 H new ATOM 0 H4' DG B 21 -4.487 -14.499 9.246 1.00 0.09 H new ATOM 0 H3' DG B 21 -3.554 -15.029 12.074 1.00 0.10 H new ATOM 0 H2' DG B 21 -1.330 -14.873 11.409 1.00 0.11 H new ATOM 0 H2'' DG B 21 -1.657 -16.417 10.647 1.00 0.11 H new ATOM 0 H1' DG B 21 -1.987 -15.424 8.495 1.00 0.10 H new ATOM 0 H8 DG B 21 -0.163 -13.056 10.881 1.00 0.11 H new ATOM 0 H1 DG B 21 3.084 -14.750 5.621 1.00 0.09 H new ATOM 0 H21 DG B 21 0.197 -16.535 4.865 1.00 0.08 H new ATOM 0 H22 DG B 21 1.837 -16.082 4.390 1.00 0.08 H new ATOM 662 P DG B 22 -3.799 -17.931 10.977 1.00 0.11 P ATOM 663 OP1 DG B 22 -5.005 -18.775 11.141 1.00 0.14 O ATOM 664 OP2 DG B 22 -2.690 -18.032 11.952 1.00 0.14 O ATOM 665 O5' DG B 22 -3.188 -18.204 9.505 1.00 0.09 O ATOM 666 C5' DG B 22 -4.004 -18.162 8.318 1.00 0.10 C ATOM 667 C4' DG B 22 -3.457 -19.044 7.183 1.00 0.08 C ATOM 668 O4' DG B 22 -2.180 -18.616 6.681 1.00 0.08 O ATOM 669 C3' DG B 22 -3.308 -20.490 7.553 1.00 0.09 C ATOM 670 O3' DG B 22 -3.316 -21.280 6.369 1.00 0.11 O ATOM 671 C2' DG B 22 -1.949 -20.435 8.116 1.00 0.08 C ATOM 672 C1' DG B 22 -1.191 -19.529 7.178 1.00 0.08 C ATOM 673 N9 DG B 22 -0.165 -18.739 7.871 1.00 0.08 N ATOM 674 C8 DG B 22 -0.238 -18.147 9.088 1.00 0.10 C ATOM 675 N7 DG B 22 0.872 -17.460 9.428 1.00 0.11 N ATOM 676 C5 DG B 22 1.684 -17.642 8.352 1.00 0.10 C ATOM 677 C6 DG B 22 2.998 -17.162 8.112 1.00 0.12 C ATOM 678 O6 DG B 22 3.718 -16.450 8.807 1.00 0.14 O ATOM 679 N1 DG B 22 3.474 -17.577 6.890 1.00 0.12 N ATOM 680 C2 DG B 22 2.788 -18.356 5.992 1.00 0.11 C ATOM 681 N2 DG B 22 3.390 -18.666 4.858 1.00 0.14 N ATOM 682 N3 DG B 22 1.560 -18.812 6.197 1.00 0.09 N ATOM 683 C4 DG B 22 1.072 -18.418 7.395 1.00 0.09 C ATOM 0 H5' DG B 22 -4.075 -17.132 7.969 1.00 0.10 H new ATOM 0 H5'' DG B 22 -5.015 -18.485 8.567 1.00 0.10 H new ATOM 0 H4' DG B 22 -4.222 -18.932 6.414 1.00 0.08 H new ATOM 0 H3' DG B 22 -4.075 -20.908 8.205 1.00 0.09 H new ATOM 0 H2' DG B 22 -1.955 -20.040 9.132 1.00 0.08 H new ATOM 0 H2'' DG B 22 -1.498 -21.426 8.163 1.00 0.08 H new ATOM 0 HO3' DG B 22 -3.217 -22.226 6.606 1.00 0.11 H new ATOM 0 H1' DG B 22 -0.685 -20.117 6.412 1.00 0.08 H new ATOM 0 H8 DG B 22 -1.106 -18.219 9.727 1.00 0.10 H new ATOM 0 H1 DG B 22 4.415 -17.281 6.630 1.00 0.12 H new ATOM 0 H21 DG B 22 2.910 -19.243 4.167 1.00 0.14 H new ATOM 0 H22 DG B 22 4.335 -18.328 4.673 1.00 0.14 H new TER 696 DG B 22 HETATM 697 C1 BPJ A 25 1.642 -0.414 6.443 1.00 0.08 C HETATM 698 C2 BPJ A 25 1.394 -1.000 7.865 1.00 0.09 C HETATM 699 O2 BPJ A 25 0.262 -1.859 8.052 1.00 0.13 O HETATM 700 C3 BPJ A 25 1.298 0.195 8.862 1.00 0.13 C HETATM 701 O3 BPJ A 25 0.361 1.227 8.488 1.00 0.16 O HETATM 702 C4 BPJ A 25 2.733 0.791 8.925 1.00 0.12 C HETATM 703 O4 BPJ A 25 3.543 -0.131 9.653 1.00 0.13 O HETATM 704 C5 BPJ A 25 4.543 1.732 7.600 1.00 0.13 C HETATM 705 C6 BPJ A 25 5.146 2.076 6.389 1.00 0.14 C HETATM 706 C7 BPJ A 25 5.197 2.138 4.057 1.00 0.15 C HETATM 707 C8 BPJ A 25 4.667 1.908 2.777 1.00 0.15 C HETATM 708 C9 BPJ A 25 2.763 1.401 1.374 1.00 0.15 C HETATM 709 C10 BPJ A 25 1.393 1.130 1.218 1.00 0.15 C HETATM 710 C11 BPJ A 25 0.596 0.962 2.362 1.00 0.14 C HETATM 711 C12 BPJ A 25 1.174 1.045 3.640 1.00 0.12 C HETATM 712 C13 BPJ A 25 2.672 0.628 6.384 1.00 0.09 C HETATM 713 C14 BPJ A 25 3.320 1.014 7.616 1.00 0.11 C HETATM 714 C15 BPJ A 25 4.477 1.793 5.198 1.00 0.13 C HETATM 715 C16 BPJ A 25 3.199 1.182 5.148 1.00 0.11 C HETATM 716 C17 BPJ A 25 2.566 1.233 3.854 1.00 0.11 C HETATM 717 C18 BPJ A 25 3.328 1.485 2.666 1.00 0.14 C HETATM 0 H11A BPJ A 25 0.706 -0.003 6.065 1.00 0.08 H new HETATM 0 HO4 BPJ A 25 4.411 0.280 9.849 1.00 0.13 H new HETATM 0 HO3 BPJ A 25 0.364 1.933 9.167 1.00 0.16 H new HETATM 0 HO2 BPJ A 25 0.473 -2.536 8.728 1.00 0.13 H new HETATM 0 H9 BPJ A 25 3.392 1.547 0.496 1.00 0.15 H new HETATM 0 H8 BPJ A 25 5.279 2.054 1.887 1.00 0.15 H new HETATM 0 H7 BPJ A 25 6.183 2.592 4.159 1.00 0.15 H new HETATM 0 H6 BPJ A 25 6.124 2.558 6.374 1.00 0.14 H new HETATM 0 H5 BPJ A 25 5.015 2.017 8.540 1.00 0.13 H new HETATM 0 H4 BPJ A 25 2.678 1.767 9.407 1.00 0.12 H new HETATM 0 H3 BPJ A 25 0.925 -0.175 9.817 1.00 0.13 H new HETATM 0 H2 BPJ A 25 2.240 -1.664 8.040 1.00 0.09 H new HETATM 0 H12 BPJ A 25 0.523 0.961 4.510 1.00 0.12 H new HETATM 0 H11 BPJ A 25 -0.471 0.767 2.258 1.00 0.14 H new HETATM 0 H10 BPJ A 25 0.955 1.051 0.223 1.00 0.15 H new