USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-2) USER MOD Single : A 6 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-4.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -124:sc= -0.345 (180deg=-2.12) USER MOD Single : A 16 TYR OH : rot 149:sc= 0.435 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= -8.02! (180deg=-8.55!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.49! C(o=-3.5!,f=-6.4!) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot -26:sc= 0.001 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT C7 :methyl -30:sc= -17.5! (180deg=-18.1!) USER MOD Single : B 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.524 -36.468 21.794 1.00 0.94 N ATOM 2 CA SER A 1 11.065 -37.783 21.264 1.00 0.46 C ATOM 3 C SER A 1 9.969 -37.554 20.227 1.00 0.49 C ATOM 4 O SER A 1 10.067 -38.023 19.094 1.00 0.65 O ATOM 5 CB SER A 1 10.524 -38.632 22.416 1.00 0.68 C ATOM 6 OG SER A 1 11.031 -39.957 22.299 1.00 1.28 O ATOM 0 H1 SER A 1 12.271 -36.620 22.501 1.00 0.94 H new ATOM 0 H2 SER A 1 11.898 -35.891 21.014 1.00 0.94 H new ATOM 0 H3 SER A 1 10.723 -35.974 22.237 1.00 0.94 H new ATOM 0 HA SER A 1 11.899 -38.305 20.795 1.00 0.46 H new ATOM 0 HB2 SER A 1 10.819 -38.200 23.372 1.00 0.68 H new ATOM 0 HB3 SER A 1 9.434 -38.644 22.395 1.00 0.68 H new ATOM 0 HG SER A 1 10.688 -40.505 23.036 1.00 1.28 H new ATOM 14 N MET A 2 8.928 -36.830 20.624 1.00 0.47 N ATOM 15 CA MET A 2 7.819 -36.544 19.720 1.00 0.51 C ATOM 16 C MET A 2 7.408 -35.078 19.825 1.00 0.44 C ATOM 17 O MET A 2 7.798 -34.380 20.760 1.00 0.55 O ATOM 18 CB MET A 2 6.624 -37.438 20.058 1.00 0.65 C ATOM 19 CG MET A 2 6.888 -38.858 19.550 1.00 0.51 C ATOM 20 SD MET A 2 5.818 -39.203 18.131 1.00 0.65 S ATOM 21 CE MET A 2 7.046 -40.062 17.116 1.00 0.80 C ATOM 0 H MET A 2 8.828 -36.433 21.558 1.00 0.47 H new ATOM 0 HA MET A 2 8.145 -36.746 18.700 1.00 0.51 H new ATOM 0 HB2 MET A 2 6.459 -37.451 21.135 1.00 0.65 H new ATOM 0 HB3 MET A 2 5.718 -37.040 19.602 1.00 0.65 H new ATOM 0 HG2 MET A 2 7.934 -38.964 19.264 1.00 0.51 H new ATOM 0 HG3 MET A 2 6.700 -39.580 20.344 1.00 0.51 H new ATOM 0 HE1 MET A 2 6.590 -40.369 16.175 1.00 0.80 H new ATOM 0 HE2 MET A 2 7.882 -39.393 16.913 1.00 0.80 H new ATOM 0 HE3 MET A 2 7.406 -40.942 17.648 1.00 0.80 H new ATOM 31 N HIS A 3 6.619 -34.619 18.859 1.00 0.37 N ATOM 32 CA HIS A 3 6.162 -33.234 18.851 1.00 0.33 C ATOM 33 C HIS A 3 7.329 -32.282 19.096 1.00 0.32 C ATOM 34 O HIS A 3 7.459 -31.706 20.176 1.00 0.44 O ATOM 35 CB HIS A 3 5.098 -33.029 19.930 1.00 0.31 C ATOM 36 CG HIS A 3 3.859 -33.801 19.568 1.00 0.42 C ATOM 37 ND1 HIS A 3 3.854 -34.765 18.572 1.00 0.77 N ATOM 38 CD2 HIS A 3 2.578 -33.763 20.061 1.00 0.47 C ATOM 39 CE1 HIS A 3 2.605 -35.263 18.497 1.00 0.91 C ATOM 40 NE2 HIS A 3 1.789 -34.688 19.383 1.00 0.65 N ATOM 0 H HIS A 3 6.285 -35.181 18.077 1.00 0.37 H new ATOM 0 HA HIS A 3 5.733 -33.019 17.872 1.00 0.33 H new ATOM 0 HB2 HIS A 3 5.477 -33.361 20.897 1.00 0.31 H new ATOM 0 HB3 HIS A 3 4.863 -31.969 20.027 1.00 0.31 H new ATOM 0 HD2 HIS A 3 2.235 -33.115 20.854 1.00 0.47 H new ATOM 0 HE1 HIS A 3 2.301 -36.034 17.804 1.00 0.91 H new ATOM 0 HE2 HIS A 3 0.799 -34.884 19.532 1.00 0.65 H new ATOM 48 N PRO A 4 8.171 -32.112 18.114 1.00 0.27 N ATOM 49 CA PRO A 4 9.356 -31.212 18.211 1.00 0.28 C ATOM 50 C PRO A 4 9.005 -29.861 18.829 1.00 0.27 C ATOM 51 O PRO A 4 9.368 -29.577 19.971 1.00 0.34 O ATOM 52 CB PRO A 4 9.802 -31.049 16.758 1.00 0.32 C ATOM 53 CG PRO A 4 9.330 -32.279 16.055 1.00 0.42 C ATOM 54 CD PRO A 4 8.083 -32.764 16.798 1.00 0.34 C ATOM 0 HA PRO A 4 10.132 -31.623 18.857 1.00 0.28 H new ATOM 0 HB2 PRO A 4 9.370 -30.153 16.313 1.00 0.32 H new ATOM 0 HB3 PRO A 4 10.885 -30.949 16.689 1.00 0.32 H new ATOM 0 HG2 PRO A 4 9.099 -32.063 15.012 1.00 0.42 H new ATOM 0 HG3 PRO A 4 10.104 -33.046 16.057 1.00 0.42 H new ATOM 0 HD2 PRO A 4 7.171 -32.480 16.273 1.00 0.34 H new ATOM 0 HD3 PRO A 4 8.072 -33.850 16.891 1.00 0.34 H new ATOM 62 N GLY A 5 8.298 -29.032 18.067 1.00 0.26 N ATOM 63 CA GLY A 5 7.905 -27.714 18.552 1.00 0.31 C ATOM 64 C GLY A 5 9.105 -26.775 18.616 1.00 0.31 C ATOM 65 O GLY A 5 8.974 -25.569 18.410 1.00 0.41 O ATOM 0 H GLY A 5 7.988 -29.247 17.119 1.00 0.26 H new ATOM 0 HA2 GLY A 5 7.144 -27.293 17.895 1.00 0.31 H new ATOM 0 HA3 GLY A 5 7.457 -27.805 19.541 1.00 0.31 H new ATOM 69 N HIS A 6 10.276 -27.336 18.902 1.00 0.28 N ATOM 70 CA HIS A 6 11.493 -26.538 18.990 1.00 0.28 C ATOM 71 C HIS A 6 12.254 -26.572 17.668 1.00 0.27 C ATOM 72 O HIS A 6 13.348 -26.019 17.556 1.00 0.41 O ATOM 73 CB HIS A 6 12.389 -27.072 20.110 1.00 0.31 C ATOM 74 CG HIS A 6 11.579 -27.947 21.027 1.00 0.37 C ATOM 75 ND1 HIS A 6 11.698 -29.328 21.028 1.00 0.65 N ATOM 76 CD2 HIS A 6 10.633 -27.651 21.978 1.00 0.50 C ATOM 77 CE1 HIS A 6 10.846 -29.808 21.952 1.00 0.82 C ATOM 78 NE2 HIS A 6 10.172 -28.829 22.561 1.00 0.77 N ATOM 0 H HIS A 6 10.407 -28.333 19.076 1.00 0.28 H new ATOM 0 HA HIS A 6 11.213 -25.508 19.209 1.00 0.28 H new ATOM 0 HB2 HIS A 6 13.218 -27.639 19.687 1.00 0.31 H new ATOM 0 HB3 HIS A 6 12.822 -26.243 20.670 1.00 0.31 H new ATOM 0 HD2 HIS A 6 10.298 -26.657 22.234 1.00 0.50 H new ATOM 0 HE1 HIS A 6 10.722 -30.858 22.174 1.00 0.82 H new ATOM 0 HE2 HIS A 6 9.470 -28.924 23.295 1.00 0.77 H new ATOM 86 N LEU A 7 11.666 -27.225 16.670 1.00 0.34 N ATOM 87 CA LEU A 7 12.297 -27.326 15.359 1.00 0.33 C ATOM 88 C LEU A 7 11.982 -26.094 14.517 1.00 0.36 C ATOM 89 O LEU A 7 11.128 -25.284 14.879 1.00 0.46 O ATOM 90 CB LEU A 7 11.803 -28.581 14.637 1.00 0.32 C ATOM 91 CG LEU A 7 12.824 -29.706 14.812 1.00 0.32 C ATOM 92 CD1 LEU A 7 13.215 -29.821 16.286 1.00 0.35 C ATOM 93 CD2 LEU A 7 12.210 -31.028 14.344 1.00 0.29 C ATOM 0 H LEU A 7 10.760 -27.689 16.743 1.00 0.34 H new ATOM 0 HA LEU A 7 13.376 -27.390 15.499 1.00 0.33 H new ATOM 0 HB2 LEU A 7 10.837 -28.887 15.038 1.00 0.32 H new ATOM 0 HB3 LEU A 7 11.657 -28.370 13.578 1.00 0.32 H new ATOM 0 HG LEU A 7 13.711 -29.484 14.219 1.00 0.32 H new ATOM 0 HD11 LEU A 7 13.943 -30.623 16.408 1.00 0.35 H new ATOM 0 HD12 LEU A 7 13.652 -28.880 16.621 1.00 0.35 H new ATOM 0 HD13 LEU A 7 12.329 -30.041 16.881 1.00 0.35 H new ATOM 0 HD21 LEU A 7 12.937 -31.831 14.468 1.00 0.29 H new ATOM 0 HD22 LEU A 7 11.322 -31.247 14.937 1.00 0.29 H new ATOM 0 HD23 LEU A 7 11.933 -30.949 13.293 1.00 0.29 H new ATOM 105 N LYS A 8 12.676 -25.958 13.390 1.00 0.34 N ATOM 106 CA LYS A 8 12.460 -24.818 12.506 1.00 0.38 C ATOM 107 C LYS A 8 12.583 -25.240 11.044 1.00 0.35 C ATOM 108 O LYS A 8 13.566 -25.868 10.650 1.00 0.39 O ATOM 109 CB LYS A 8 13.483 -23.720 12.810 1.00 0.43 C ATOM 110 CG LYS A 8 13.053 -22.415 12.137 1.00 0.41 C ATOM 111 CD LYS A 8 13.648 -22.342 10.729 1.00 0.39 C ATOM 112 CE LYS A 8 13.447 -20.934 10.162 1.00 0.37 C ATOM 113 NZ LYS A 8 14.722 -20.169 10.271 1.00 0.51 N ATOM 0 H LYS A 8 13.386 -26.617 13.070 1.00 0.34 H new ATOM 0 HA LYS A 8 11.454 -24.436 12.678 1.00 0.38 H new ATOM 0 HB2 LYS A 8 13.566 -23.575 13.887 1.00 0.43 H new ATOM 0 HB3 LYS A 8 14.468 -24.018 12.452 1.00 0.43 H new ATOM 0 HG2 LYS A 8 11.965 -22.362 12.086 1.00 0.41 H new ATOM 0 HG3 LYS A 8 13.387 -21.562 12.728 1.00 0.41 H new ATOM 0 HD2 LYS A 8 14.710 -22.585 10.758 1.00 0.39 H new ATOM 0 HD3 LYS A 8 13.170 -23.078 10.082 1.00 0.39 H new ATOM 0 HE2 LYS A 8 13.133 -20.991 9.120 1.00 0.37 H new ATOM 0 HE3 LYS A 8 12.654 -20.421 10.706 1.00 0.37 H new ATOM 0 HZ1 LYS A 8 14.587 -19.212 9.886 1.00 0.51 H new ATOM 0 HZ2 LYS A 8 15.003 -20.104 11.270 1.00 0.51 H new ATOM 0 HZ3 LYS A 8 15.466 -20.657 9.733 1.00 0.51 H new ATOM 127 N GLY A 9 11.580 -24.890 10.246 1.00 0.33 N ATOM 128 CA GLY A 9 11.588 -25.235 8.829 1.00 0.34 C ATOM 129 C GLY A 9 10.788 -26.507 8.570 1.00 0.24 C ATOM 130 O GLY A 9 10.370 -27.191 9.505 1.00 0.35 O ATOM 0 H GLY A 9 10.757 -24.372 10.553 1.00 0.33 H new ATOM 0 HA2 GLY A 9 11.168 -24.413 8.249 1.00 0.34 H new ATOM 0 HA3 GLY A 9 12.615 -25.372 8.491 1.00 0.34 H new ATOM 134 N ARG A 10 10.577 -26.817 7.295 1.00 0.26 N ATOM 135 CA ARG A 10 9.824 -28.010 6.921 1.00 0.33 C ATOM 136 C ARG A 10 10.068 -29.135 7.922 1.00 0.34 C ATOM 137 O ARG A 10 9.233 -30.024 8.088 1.00 0.56 O ATOM 138 CB ARG A 10 10.237 -28.475 5.522 1.00 0.41 C ATOM 139 CG ARG A 10 10.186 -27.293 4.551 1.00 0.22 C ATOM 140 CD ARG A 10 10.130 -27.810 3.112 1.00 0.33 C ATOM 141 NE ARG A 10 11.472 -28.140 2.642 1.00 0.47 N ATOM 142 CZ ARG A 10 11.941 -29.382 2.713 1.00 0.53 C ATOM 143 NH1 ARG A 10 11.197 -30.335 3.205 1.00 0.43 N ATOM 144 NH2 ARG A 10 13.147 -29.649 2.290 1.00 0.77 N ATOM 0 H ARG A 10 10.914 -26.263 6.508 1.00 0.26 H new ATOM 0 HA ARG A 10 8.763 -27.759 6.923 1.00 0.33 H new ATOM 0 HB2 ARG A 10 11.243 -28.893 5.549 1.00 0.41 H new ATOM 0 HB3 ARG A 10 9.572 -29.268 5.180 1.00 0.41 H new ATOM 0 HG2 ARG A 10 9.312 -26.676 4.760 1.00 0.22 H new ATOM 0 HG3 ARG A 10 11.063 -26.660 4.687 1.00 0.22 H new ATOM 0 HD2 ARG A 10 9.491 -28.692 3.059 1.00 0.33 H new ATOM 0 HD3 ARG A 10 9.685 -27.055 2.464 1.00 0.33 H new ATOM 0 HE ARG A 10 12.061 -27.404 2.252 1.00 0.47 H new ATOM 0 HH11 ARG A 10 10.255 -30.127 3.535 1.00 0.43 H new ATOM 0 HH12 ARG A 10 11.558 -31.287 3.259 1.00 0.43 H new ATOM 0 HH21 ARG A 10 13.729 -28.905 1.905 1.00 0.77 H new ATOM 0 HH22 ARG A 10 13.507 -30.602 2.344 1.00 0.77 H new ATOM 158 N GLU A 11 11.218 -29.090 8.587 1.00 0.30 N ATOM 159 CA GLU A 11 11.564 -30.112 9.568 1.00 0.33 C ATOM 160 C GLU A 11 10.352 -30.477 10.418 1.00 0.28 C ATOM 161 O GLU A 11 10.018 -31.652 10.568 1.00 0.40 O ATOM 162 CB GLU A 11 12.689 -29.607 10.474 1.00 0.36 C ATOM 163 CG GLU A 11 14.023 -30.202 10.018 1.00 0.46 C ATOM 164 CD GLU A 11 14.161 -31.629 10.536 1.00 0.55 C ATOM 165 OE1 GLU A 11 13.476 -31.961 11.490 1.00 0.42 O ATOM 166 OE2 GLU A 11 14.949 -32.370 9.974 1.00 1.27 O ATOM 0 H GLU A 11 11.922 -28.362 8.466 1.00 0.30 H new ATOM 0 HA GLU A 11 11.898 -31.001 9.032 1.00 0.33 H new ATOM 0 HB2 GLU A 11 12.735 -28.518 10.441 1.00 0.36 H new ATOM 0 HB3 GLU A 11 12.489 -29.887 11.508 1.00 0.36 H new ATOM 0 HG2 GLU A 11 14.081 -30.194 8.930 1.00 0.46 H new ATOM 0 HG3 GLU A 11 14.848 -29.591 10.386 1.00 0.46 H new ATOM 173 N ILE A 12 9.696 -29.462 10.974 1.00 0.17 N ATOM 174 CA ILE A 12 8.522 -29.691 11.809 1.00 0.21 C ATOM 175 C ILE A 12 7.264 -29.793 10.953 1.00 0.23 C ATOM 176 O ILE A 12 6.290 -30.441 11.338 1.00 0.34 O ATOM 177 CB ILE A 12 8.365 -28.549 12.813 1.00 0.25 C ATOM 178 CG1 ILE A 12 7.111 -28.784 13.659 1.00 0.31 C ATOM 179 CG2 ILE A 12 8.234 -27.221 12.063 1.00 0.28 C ATOM 180 CD1 ILE A 12 7.084 -27.790 14.821 1.00 0.45 C ATOM 0 H ILE A 12 9.955 -28.482 10.863 1.00 0.17 H new ATOM 0 HA ILE A 12 8.660 -30.630 12.344 1.00 0.21 H new ATOM 0 HB ILE A 12 9.240 -28.513 13.461 1.00 0.25 H new ATOM 0 HG12 ILE A 12 6.218 -28.666 13.045 1.00 0.31 H new ATOM 0 HG13 ILE A 12 7.103 -29.805 14.040 1.00 0.31 H new ATOM 0 HG21 ILE A 12 8.122 -26.408 12.780 1.00 0.28 H new ATOM 0 HG22 ILE A 12 9.127 -27.054 11.461 1.00 0.28 H new ATOM 0 HG23 ILE A 12 7.359 -27.255 11.413 1.00 0.28 H new ATOM 0 HD11 ILE A 12 6.191 -27.958 15.423 1.00 0.45 H new ATOM 0 HD12 ILE A 12 7.970 -27.930 15.440 1.00 0.45 H new ATOM 0 HD13 ILE A 12 7.072 -26.773 14.429 1.00 0.45 H new ATOM 192 N GLY A 13 7.290 -29.148 9.791 1.00 0.21 N ATOM 193 CA GLY A 13 6.144 -29.172 8.891 1.00 0.24 C ATOM 194 C GLY A 13 6.012 -30.531 8.209 1.00 0.23 C ATOM 195 O GLY A 13 5.008 -30.812 7.555 1.00 0.27 O ATOM 0 H GLY A 13 8.086 -28.607 9.453 1.00 0.21 H new ATOM 0 HA2 GLY A 13 5.234 -28.951 9.449 1.00 0.24 H new ATOM 0 HA3 GLY A 13 6.253 -28.392 8.137 1.00 0.24 H new ATOM 199 N MET A 14 7.031 -31.369 8.364 1.00 0.26 N ATOM 200 CA MET A 14 7.017 -32.695 7.754 1.00 0.23 C ATOM 201 C MET A 14 6.877 -33.779 8.818 1.00 0.16 C ATOM 202 O MET A 14 6.018 -34.655 8.714 1.00 0.26 O ATOM 203 CB MET A 14 8.306 -32.917 6.962 1.00 0.29 C ATOM 204 CG MET A 14 8.395 -31.890 5.832 1.00 0.31 C ATOM 205 SD MET A 14 6.996 -32.109 4.706 1.00 0.41 S ATOM 206 CE MET A 14 6.406 -30.398 4.742 1.00 0.31 C ATOM 0 H MET A 14 7.871 -31.157 8.902 1.00 0.26 H new ATOM 0 HA MET A 14 6.161 -32.754 7.082 1.00 0.23 H new ATOM 0 HB2 MET A 14 9.170 -32.825 7.620 1.00 0.29 H new ATOM 0 HB3 MET A 14 8.324 -33.927 6.552 1.00 0.29 H new ATOM 0 HG2 MET A 14 8.390 -30.880 6.243 1.00 0.31 H new ATOM 0 HG3 MET A 14 9.333 -32.010 5.291 1.00 0.31 H new ATOM 0 HE1 MET A 14 5.360 -30.380 5.049 1.00 0.31 H new ATOM 0 HE2 MET A 14 7.002 -29.822 5.450 1.00 0.31 H new ATOM 0 HE3 MET A 14 6.500 -29.960 3.748 1.00 0.31 H new ATOM 216 N TRP A 15 7.728 -33.717 9.837 1.00 0.17 N ATOM 217 CA TRP A 15 7.691 -34.704 10.911 1.00 0.19 C ATOM 218 C TRP A 15 6.281 -35.260 11.082 1.00 0.23 C ATOM 219 O TRP A 15 6.062 -36.467 10.972 1.00 0.43 O ATOM 220 CB TRP A 15 8.152 -34.066 12.226 1.00 0.25 C ATOM 221 CG TRP A 15 9.523 -34.555 12.568 1.00 0.23 C ATOM 222 CD1 TRP A 15 10.640 -34.307 11.844 1.00 0.46 C ATOM 223 CD2 TRP A 15 9.943 -35.367 13.704 1.00 0.44 C ATOM 224 NE1 TRP A 15 11.717 -34.916 12.463 1.00 0.40 N ATOM 225 CE2 TRP A 15 11.339 -35.582 13.612 1.00 0.45 C ATOM 226 CE3 TRP A 15 9.255 -35.933 14.793 1.00 0.82 C ATOM 227 CZ2 TRP A 15 12.028 -36.330 14.567 1.00 0.75 C ATOM 228 CZ3 TRP A 15 9.946 -36.688 15.755 1.00 1.16 C ATOM 229 CH2 TRP A 15 11.330 -36.886 15.643 1.00 1.11 C ATOM 0 H TRP A 15 8.446 -33.000 9.942 1.00 0.17 H new ATOM 0 HA TRP A 15 8.363 -35.521 10.648 1.00 0.19 H new ATOM 0 HB2 TRP A 15 8.155 -32.980 12.133 1.00 0.25 H new ATOM 0 HB3 TRP A 15 7.456 -34.316 13.027 1.00 0.25 H new ATOM 0 HD1 TRP A 15 10.683 -33.729 10.933 1.00 0.46 H new ATOM 0 HE1 TRP A 15 12.674 -34.878 12.113 1.00 0.40 H new ATOM 0 HE3 TRP A 15 8.189 -35.786 14.890 1.00 0.82 H new ATOM 0 HZ2 TRP A 15 13.094 -36.479 14.476 1.00 0.75 H new ATOM 0 HZ3 TRP A 15 9.408 -37.119 16.586 1.00 1.16 H new ATOM 0 HH2 TRP A 15 11.855 -37.467 16.387 1.00 1.11 H new ATOM 240 N TYR A 16 5.326 -34.376 11.352 1.00 0.20 N ATOM 241 CA TYR A 16 3.942 -34.795 11.535 1.00 0.23 C ATOM 242 C TYR A 16 2.986 -33.655 11.200 1.00 0.22 C ATOM 243 O TYR A 16 1.835 -33.885 10.832 1.00 0.32 O ATOM 244 CB TYR A 16 3.720 -35.244 12.981 1.00 0.26 C ATOM 245 CG TYR A 16 3.545 -34.034 13.865 1.00 0.25 C ATOM 246 CD1 TYR A 16 4.627 -33.177 14.101 1.00 0.38 C ATOM 247 CD2 TYR A 16 2.302 -33.769 14.450 1.00 0.32 C ATOM 248 CE1 TYR A 16 4.465 -32.055 14.922 1.00 0.47 C ATOM 249 CE2 TYR A 16 2.140 -32.647 15.272 1.00 0.31 C ATOM 250 CZ TYR A 16 3.221 -31.790 15.508 1.00 0.36 C ATOM 251 OH TYR A 16 3.060 -30.685 16.319 1.00 0.44 O ATOM 0 H TYR A 16 5.483 -33.373 11.448 1.00 0.20 H new ATOM 0 HA TYR A 16 3.742 -35.628 10.861 1.00 0.23 H new ATOM 0 HB2 TYR A 16 2.839 -35.883 13.043 1.00 0.26 H new ATOM 0 HB3 TYR A 16 4.568 -35.837 13.323 1.00 0.26 H new ATOM 0 HD1 TYR A 16 5.587 -33.382 13.650 1.00 0.38 H new ATOM 0 HD2 TYR A 16 1.467 -34.430 14.268 1.00 0.32 H new ATOM 0 HE1 TYR A 16 5.299 -31.394 15.104 1.00 0.47 H new ATOM 0 HE2 TYR A 16 1.181 -32.443 15.724 1.00 0.31 H new ATOM 0 HH TYR A 16 2.138 -30.361 16.251 1.00 0.44 H new ATOM 261 N ALA A 17 3.472 -32.425 11.328 1.00 0.20 N ATOM 262 CA ALA A 17 2.651 -31.255 11.033 1.00 0.22 C ATOM 263 C ALA A 17 1.351 -31.294 11.829 1.00 0.20 C ATOM 264 O ALA A 17 1.080 -32.254 12.549 1.00 0.25 O ATOM 265 CB ALA A 17 2.336 -31.203 9.537 1.00 0.27 C ATOM 0 H ALA A 17 4.422 -32.212 11.631 1.00 0.20 H new ATOM 0 HA ALA A 17 3.209 -30.363 11.318 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.723 -30.327 9.324 1.00 0.27 H new ATOM 0 HB2 ALA A 17 3.266 -31.141 8.971 1.00 0.27 H new ATOM 0 HB3 ALA A 17 1.795 -32.104 9.248 1.00 0.27 H new ATOM 271 N LYS A 18 0.550 -30.241 11.693 1.00 0.19 N ATOM 272 CA LYS A 18 -0.721 -30.162 12.403 1.00 0.20 C ATOM 273 C LYS A 18 -1.683 -31.226 11.887 1.00 0.20 C ATOM 274 O LYS A 18 -2.710 -31.501 12.509 1.00 0.28 O ATOM 275 CB LYS A 18 -1.338 -28.773 12.211 1.00 0.22 C ATOM 276 CG LYS A 18 -1.524 -28.098 13.571 1.00 0.28 C ATOM 277 CD LYS A 18 -2.325 -26.807 13.393 1.00 0.24 C ATOM 278 CE LYS A 18 -2.270 -25.987 14.683 1.00 0.36 C ATOM 279 NZ LYS A 18 -1.011 -25.192 14.712 1.00 0.61 N ATOM 0 H LYS A 18 0.757 -29.436 11.102 1.00 0.19 H new ATOM 0 HA LYS A 18 -0.540 -30.334 13.464 1.00 0.20 H new ATOM 0 HB2 LYS A 18 -0.694 -28.163 11.577 1.00 0.22 H new ATOM 0 HB3 LYS A 18 -2.298 -28.858 11.702 1.00 0.22 H new ATOM 0 HG2 LYS A 18 -2.043 -28.770 14.255 1.00 0.28 H new ATOM 0 HG3 LYS A 18 -0.553 -27.878 14.016 1.00 0.28 H new ATOM 0 HD2 LYS A 18 -1.920 -26.227 12.564 1.00 0.24 H new ATOM 0 HD3 LYS A 18 -3.360 -27.041 13.143 1.00 0.24 H new ATOM 0 HE2 LYS A 18 -3.133 -25.324 14.742 1.00 0.36 H new ATOM 0 HE3 LYS A 18 -2.316 -26.648 15.549 1.00 0.36 H new ATOM 0 HZ1 LYS A 18 -0.932 -24.700 15.625 1.00 0.61 H new ATOM 0 HZ2 LYS A 18 -0.197 -25.827 14.589 1.00 0.61 H new ATOM 0 HZ3 LYS A 18 -1.024 -24.493 13.942 1.00 0.61 H new ATOM 293 N LYS A 19 -1.343 -31.821 10.751 1.00 0.17 N ATOM 294 CA LYS A 19 -2.183 -32.857 10.164 1.00 0.18 C ATOM 295 C LYS A 19 -2.625 -33.847 11.234 1.00 0.20 C ATOM 296 O LYS A 19 -3.772 -34.293 11.248 1.00 0.29 O ATOM 297 CB LYS A 19 -1.414 -33.595 9.068 1.00 0.17 C ATOM 298 CG LYS A 19 -2.400 -34.326 8.155 1.00 0.27 C ATOM 299 CD LYS A 19 -1.677 -34.787 6.888 1.00 0.28 C ATOM 300 CE LYS A 19 -1.426 -33.583 5.977 1.00 0.38 C ATOM 301 NZ LYS A 19 -1.290 -34.045 4.567 1.00 1.13 N ATOM 0 H LYS A 19 -0.498 -31.606 10.221 1.00 0.17 H new ATOM 0 HA LYS A 19 -3.065 -32.386 9.730 1.00 0.18 H new ATOM 0 HB2 LYS A 19 -0.820 -32.889 8.488 1.00 0.17 H new ATOM 0 HB3 LYS A 19 -0.719 -34.306 9.513 1.00 0.17 H new ATOM 0 HG2 LYS A 19 -2.827 -35.183 8.675 1.00 0.27 H new ATOM 0 HG3 LYS A 19 -3.228 -33.667 7.894 1.00 0.27 H new ATOM 0 HD2 LYS A 19 -0.732 -35.263 7.149 1.00 0.28 H new ATOM 0 HD3 LYS A 19 -2.276 -35.533 6.366 1.00 0.28 H new ATOM 0 HE2 LYS A 19 -2.249 -32.873 6.060 1.00 0.38 H new ATOM 0 HE3 LYS A 19 -0.521 -33.061 6.288 1.00 0.38 H new ATOM 0 HZ1 LYS A 19 -1.119 -33.227 3.948 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 -0.491 -34.707 4.494 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 -2.165 -34.525 4.273 1.00 1.13 H new ATOM 315 N GLN A 20 -1.704 -34.184 12.131 1.00 0.20 N ATOM 316 CA GLN A 20 -2.004 -35.120 13.206 1.00 0.26 C ATOM 317 C GLN A 20 -2.505 -36.445 12.640 1.00 0.26 C ATOM 318 O GLN A 20 -2.046 -37.476 13.104 1.00 0.58 O ATOM 319 CB GLN A 20 -3.060 -34.522 14.138 1.00 0.33 C ATOM 320 CG GLN A 20 -3.810 -35.647 14.856 1.00 0.29 C ATOM 321 CD GLN A 20 -2.817 -36.611 15.499 1.00 0.39 C ATOM 322 OE1 GLN A 20 -1.648 -36.269 15.681 1.00 0.65 O ATOM 323 NE2 GLN A 20 -3.215 -37.801 15.856 1.00 0.62 N ATOM 324 OXT GLN A 20 -3.339 -36.410 11.750 1.00 0.41 O ATOM 0 H GLN A 20 -0.749 -33.825 12.135 1.00 0.20 H new ATOM 0 HA GLN A 20 -1.089 -35.306 13.769 1.00 0.26 H new ATOM 0 HB2 GLN A 20 -2.586 -33.865 14.867 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -3.760 -33.912 13.567 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -4.468 -35.228 15.618 1.00 0.29 H new ATOM 0 HG3 GLN A 20 -4.443 -36.183 14.148 1.00 0.29 H new ATOM 0 HE21 GLN A 20 -4.184 -38.082 15.704 1.00 0.62 H new ATOM 0 HE22 GLN A 20 -2.557 -38.451 16.287 1.00 0.62 H new TER 333 GLN A 20 ATOM 334 O5' DT B 1 23.799 -14.562 -2.059 1.00 0.82 O ATOM 335 C5' DT B 1 23.121 -15.434 -1.153 1.00 0.74 C ATOM 336 C4' DT B 1 23.292 -16.898 -1.556 1.00 0.55 C ATOM 337 O4' DT B 1 24.682 -17.237 -1.556 1.00 0.45 O ATOM 338 C3' DT B 1 22.584 -17.884 -0.619 1.00 0.61 C ATOM 339 O3' DT B 1 21.819 -18.810 -1.397 1.00 0.66 O ATOM 340 C2' DT B 1 23.718 -18.618 0.085 1.00 0.54 C ATOM 341 C1' DT B 1 24.828 -18.514 -0.944 1.00 0.41 C ATOM 342 N1 DT B 1 26.190 -18.591 -0.381 1.00 0.36 N ATOM 343 C2 DT B 1 27.016 -19.596 -0.849 1.00 0.46 C ATOM 344 O2 DT B 1 26.645 -20.405 -1.697 1.00 0.56 O ATOM 345 N3 DT B 1 28.287 -19.638 -0.306 1.00 0.48 N ATOM 346 C4 DT B 1 28.794 -18.775 0.649 1.00 0.45 C ATOM 347 O4 DT B 1 29.944 -18.904 1.064 1.00 0.55 O ATOM 348 C5 DT B 1 27.860 -17.758 1.078 1.00 0.35 C ATOM 349 C7 DT B 1 28.289 -16.738 2.126 1.00 0.40 C ATOM 350 C6 DT B 1 26.615 -17.697 0.563 1.00 0.28 C ATOM 0 H5' DT B 1 22.061 -15.183 -1.129 1.00 0.74 H new ATOM 0 H5'' DT B 1 23.507 -15.285 -0.145 1.00 0.74 H new ATOM 0 H4' DT B 1 22.842 -16.986 -2.545 1.00 0.55 H new ATOM 0 H3' DT B 1 21.906 -17.394 0.080 1.00 0.61 H new ATOM 0 H2' DT B 1 23.988 -18.146 1.030 1.00 0.54 H new ATOM 0 H2'' DT B 1 23.461 -19.653 0.308 1.00 0.54 H new ATOM 0 HO5' DT B 1 24.542 -15.042 -2.481 1.00 0.82 H new ATOM 0 H1' DT B 1 24.732 -19.357 -1.628 1.00 0.41 H new ATOM 0 H3 DT B 1 28.909 -20.374 -0.641 1.00 0.48 H new ATOM 0 H71 DT B 1 27.757 -15.801 1.961 1.00 0.40 H new ATOM 0 H72 DT B 1 28.055 -17.118 3.121 1.00 0.40 H new ATOM 0 H73 DT B 1 29.362 -16.565 2.047 1.00 0.40 H new ATOM 0 H6 DT B 1 25.939 -16.926 0.903 1.00 0.28 H new ATOM 364 P DT B 2 20.753 -19.788 -0.691 1.00 0.65 P ATOM 365 OP1 DT B 2 21.373 -20.344 0.532 1.00 0.64 O ATOM 366 OP2 DT B 2 20.207 -20.699 -1.722 1.00 0.72 O ATOM 367 O5' DT B 2 19.586 -18.771 -0.248 1.00 0.68 O ATOM 368 C5' DT B 2 19.124 -18.739 1.105 1.00 0.57 C ATOM 369 C4' DT B 2 18.402 -20.030 1.480 1.00 0.55 C ATOM 370 O4' DT B 2 19.296 -21.137 1.349 1.00 0.59 O ATOM 371 C3' DT B 2 17.867 -20.048 2.918 1.00 0.46 C ATOM 372 O3' DT B 2 16.465 -20.337 2.896 1.00 0.36 O ATOM 373 C2' DT B 2 18.618 -21.189 3.598 1.00 0.56 C ATOM 374 C1' DT B 2 19.028 -22.043 2.413 1.00 0.57 C ATOM 375 N1 DT B 2 20.239 -22.854 2.635 1.00 0.66 N ATOM 376 C2 DT B 2 20.100 -24.229 2.608 1.00 0.62 C ATOM 377 O2 DT B 2 19.015 -24.772 2.413 1.00 0.59 O ATOM 378 N3 DT B 2 21.255 -24.960 2.815 1.00 0.70 N ATOM 379 C4 DT B 2 22.518 -24.441 3.044 1.00 0.84 C ATOM 380 O4 DT B 2 23.481 -25.187 3.215 1.00 0.92 O ATOM 381 C5 DT B 2 22.567 -22.996 3.054 1.00 0.92 C ATOM 382 C7 DT B 2 23.898 -22.292 3.291 1.00 1.13 C ATOM 383 C6 DT B 2 21.454 -22.262 2.854 1.00 0.82 C ATOM 0 H5' DT B 2 18.451 -17.892 1.241 1.00 0.57 H new ATOM 0 H5'' DT B 2 19.969 -18.586 1.776 1.00 0.57 H new ATOM 0 H4' DT B 2 17.552 -20.097 0.801 1.00 0.55 H new ATOM 0 H3' DT B 2 18.007 -19.097 3.432 1.00 0.46 H new ATOM 0 H2' DT B 2 19.480 -20.832 4.162 1.00 0.56 H new ATOM 0 H2'' DT B 2 17.985 -21.736 4.296 1.00 0.56 H new ATOM 0 H1' DT B 2 18.223 -22.750 2.213 1.00 0.57 H new ATOM 0 H3 DT B 2 21.169 -25.976 2.797 1.00 0.70 H new ATOM 0 H71 DT B 2 23.901 -21.334 2.771 1.00 1.13 H new ATOM 0 H72 DT B 2 24.036 -22.125 4.359 1.00 1.13 H new ATOM 0 H73 DT B 2 24.710 -22.913 2.913 1.00 1.13 H new ATOM 0 H6 DT B 2 21.522 -21.184 2.867 1.00 0.82 H new ATOM 396 P DG B 3 15.412 -19.235 2.375 1.00 0.36 P ATOM 397 OP1 DG B 3 15.980 -18.583 1.174 1.00 0.50 O ATOM 398 OP2 DG B 3 14.992 -18.414 3.533 1.00 0.49 O ATOM 399 O5' DG B 3 14.159 -20.136 1.914 1.00 0.30 O ATOM 400 C5' DG B 3 13.492 -20.984 2.852 1.00 0.27 C ATOM 401 C4' DG B 3 12.177 -21.517 2.292 1.00 0.25 C ATOM 402 O4' DG B 3 11.568 -22.385 3.251 1.00 0.22 O ATOM 403 C3' DG B 3 11.160 -20.421 1.954 1.00 0.26 C ATOM 404 O3' DG B 3 10.673 -20.617 0.622 1.00 0.28 O ATOM 405 C2' DG B 3 10.026 -20.625 2.954 1.00 0.20 C ATOM 406 C1' DG B 3 10.174 -22.096 3.301 1.00 0.17 C ATOM 407 N9 DG B 3 9.694 -22.447 4.651 1.00 0.15 N ATOM 408 C8 DG B 3 10.104 -21.952 5.861 1.00 0.20 C ATOM 409 N7 DG B 3 9.483 -22.471 6.881 1.00 0.21 N ATOM 410 C5 DG B 3 8.597 -23.378 6.310 1.00 0.16 C ATOM 411 C6 DG B 3 7.655 -24.243 6.930 1.00 0.20 C ATOM 412 O6 DG B 3 7.417 -24.377 8.128 1.00 0.25 O ATOM 413 N1 DG B 3 6.959 -24.993 5.990 1.00 0.23 N ATOM 414 C2 DG B 3 7.147 -24.922 4.624 1.00 0.25 C ATOM 415 N2 DG B 3 6.384 -25.721 3.880 1.00 0.35 N ATOM 416 N3 DG B 3 8.033 -24.109 4.041 1.00 0.21 N ATOM 417 C4 DG B 3 8.720 -23.370 4.942 1.00 0.15 C ATOM 0 H5' DG B 3 13.299 -20.430 3.771 1.00 0.27 H new ATOM 0 H5'' DG B 3 14.142 -21.819 3.114 1.00 0.27 H new ATOM 0 H4' DG B 3 12.434 -22.034 1.368 1.00 0.25 H new ATOM 0 H3' DG B 3 11.587 -19.420 2.009 1.00 0.26 H new ATOM 0 H2' DG B 3 10.135 -19.986 3.830 1.00 0.20 H new ATOM 0 H2'' DG B 3 9.052 -20.405 2.517 1.00 0.20 H new ATOM 0 H1' DG B 3 9.572 -22.668 2.595 1.00 0.17 H new ATOM 0 H8 DG B 3 10.872 -21.200 5.960 1.00 0.20 H new ATOM 0 H1 DG B 3 6.256 -25.646 6.335 1.00 0.23 H new ATOM 0 H21 DG B 3 6.477 -25.714 2.864 1.00 0.35 H new ATOM 0 H22 DG B 3 5.707 -26.340 4.326 1.00 0.35 H new ATOM 429 P DG B 4 9.615 -19.587 -0.020 1.00 0.31 P ATOM 430 OP1 DG B 4 9.841 -19.540 -1.482 1.00 0.38 O ATOM 431 OP2 DG B 4 9.648 -18.336 0.771 1.00 0.35 O ATOM 432 O5' DG B 4 8.203 -20.314 0.248 1.00 0.29 O ATOM 433 C5' DG B 4 7.784 -21.408 -0.575 1.00 0.28 C ATOM 434 C4' DG B 4 6.366 -21.855 -0.232 1.00 0.21 C ATOM 435 O4' DG B 4 6.316 -22.295 1.123 1.00 0.23 O ATOM 436 C3' DG B 4 5.311 -20.753 -0.388 1.00 0.20 C ATOM 437 O3' DG B 4 4.342 -21.157 -1.360 1.00 0.25 O ATOM 438 C2' DG B 4 4.649 -20.641 0.986 1.00 0.23 C ATOM 439 C1' DG B 4 5.042 -21.951 1.648 1.00 0.19 C ATOM 440 N9 DG B 4 5.167 -21.871 3.115 1.00 0.22 N ATOM 441 C8 DG B 4 6.008 -21.088 3.859 1.00 0.25 C ATOM 442 N7 DG B 4 5.879 -21.246 5.145 1.00 0.27 N ATOM 443 C5 DG B 4 4.880 -22.204 5.267 1.00 0.27 C ATOM 444 C6 DG B 4 4.311 -22.780 6.435 1.00 0.32 C ATOM 445 O6 DG B 4 4.586 -22.548 7.610 1.00 0.36 O ATOM 446 N1 DG B 4 3.329 -23.709 6.116 1.00 0.34 N ATOM 447 C2 DG B 4 2.941 -24.044 4.835 1.00 0.32 C ATOM 448 N2 DG B 4 1.979 -24.960 4.730 1.00 0.38 N ATOM 449 N3 DG B 4 3.476 -23.504 3.736 1.00 0.27 N ATOM 450 C4 DG B 4 4.436 -22.594 4.028 1.00 0.24 C ATOM 0 H5' DG B 4 8.471 -22.245 -0.448 1.00 0.28 H new ATOM 0 H5'' DG B 4 7.830 -21.114 -1.624 1.00 0.28 H new ATOM 0 H4' DG B 4 6.132 -22.651 -0.939 1.00 0.21 H new ATOM 0 H3' DG B 4 5.742 -19.807 -0.715 1.00 0.20 H new ATOM 0 H2' DG B 4 5.015 -19.779 1.544 1.00 0.23 H new ATOM 0 H2'' DG B 4 3.567 -20.534 0.908 1.00 0.23 H new ATOM 0 H1' DG B 4 4.259 -22.681 1.443 1.00 0.19 H new ATOM 0 H8 DG B 4 6.715 -20.401 3.419 1.00 0.25 H new ATOM 0 H1 DG B 4 2.858 -24.180 6.889 1.00 0.34 H new ATOM 0 H21 DG B 4 1.649 -25.250 3.809 1.00 0.38 H new ATOM 0 H22 DG B 4 1.573 -25.371 5.570 1.00 0.38 H new ATOM 462 P DG B 5 3.022 -20.270 -1.617 1.00 0.31 P ATOM 463 OP1 DG B 5 2.574 -20.494 -3.010 1.00 0.41 O ATOM 464 OP2 DG B 5 3.289 -18.894 -1.141 1.00 0.39 O ATOM 465 O5' DG B 5 1.947 -20.946 -0.628 1.00 0.28 O ATOM 466 C5' DG B 5 1.516 -22.293 -0.839 1.00 0.27 C ATOM 467 C4' DG B 5 0.318 -22.643 0.041 1.00 0.27 C ATOM 468 O4' DG B 5 0.667 -22.466 1.417 1.00 0.25 O ATOM 469 C3' DG B 5 -0.920 -21.782 -0.229 1.00 0.30 C ATOM 470 O3' DG B 5 -2.068 -22.628 -0.359 1.00 0.38 O ATOM 471 C2' DG B 5 -1.058 -20.916 1.018 1.00 0.24 C ATOM 472 C1' DG B 5 -0.409 -21.796 2.069 1.00 0.22 C ATOM 473 N9 DG B 5 0.148 -21.062 3.219 1.00 0.19 N ATOM 474 C8 DG B 5 1.077 -20.055 3.229 1.00 0.21 C ATOM 475 N7 DG B 5 1.374 -19.619 4.421 1.00 0.23 N ATOM 476 C5 DG B 5 0.584 -20.393 5.267 1.00 0.23 C ATOM 477 C6 DG B 5 0.476 -20.373 6.684 1.00 0.28 C ATOM 478 O6 DG B 5 1.071 -19.654 7.485 1.00 0.31 O ATOM 479 N1 DG B 5 -0.436 -21.317 7.138 1.00 0.31 N ATOM 480 C2 DG B 5 -1.156 -22.173 6.330 1.00 0.31 C ATOM 481 N2 DG B 5 -1.986 -23.011 6.948 1.00 0.39 N ATOM 482 N3 DG B 5 -1.055 -22.192 4.999 1.00 0.26 N ATOM 483 C4 DG B 5 -0.170 -21.278 4.538 1.00 0.21 C ATOM 0 H5' DG B 5 2.338 -22.977 -0.625 1.00 0.27 H new ATOM 0 H5'' DG B 5 1.251 -22.431 -1.887 1.00 0.27 H new ATOM 0 H4' DG B 5 0.069 -23.677 -0.196 1.00 0.27 H new ATOM 0 H3' DG B 5 -0.835 -21.192 -1.141 1.00 0.30 H new ATOM 0 H2' DG B 5 -0.547 -19.959 0.912 1.00 0.24 H new ATOM 0 H2'' DG B 5 -2.100 -20.697 1.252 1.00 0.24 H new ATOM 0 H1' DG B 5 -1.176 -22.458 2.472 1.00 0.22 H new ATOM 0 H8 DG B 5 1.523 -19.658 2.329 1.00 0.21 H new ATOM 0 H1 DG B 5 -0.585 -21.382 8.145 1.00 0.31 H new ATOM 0 H21 DG B 5 -2.546 -23.668 6.404 1.00 0.39 H new ATOM 0 H22 DG B 5 -2.062 -22.996 7.965 1.00 0.39 H new ATOM 495 P DT B 6 -2.087 -23.817 -1.447 1.00 0.46 P ATOM 496 OP1 DT B 6 -1.510 -23.300 -2.708 1.00 0.52 O ATOM 497 OP2 DT B 6 -3.436 -24.424 -1.445 1.00 0.52 O ATOM 498 O5' DT B 6 -1.054 -24.882 -0.820 1.00 0.45 O ATOM 499 C5' DT B 6 -1.437 -25.696 0.292 1.00 0.43 C ATOM 500 C4' DT B 6 -1.986 -27.047 -0.159 1.00 0.35 C ATOM 501 O4' DT B 6 -3.103 -26.849 -1.026 1.00 0.30 O ATOM 502 C3' DT B 6 -0.971 -27.907 -0.923 1.00 0.36 C ATOM 503 O3' DT B 6 -0.760 -29.130 -0.211 1.00 0.42 O ATOM 504 C2' DT B 6 -1.638 -28.201 -2.269 1.00 0.33 C ATOM 505 C1' DT B 6 -3.099 -27.907 -1.975 1.00 0.27 C ATOM 506 N1 DT B 6 -3.880 -27.468 -3.148 1.00 0.23 N ATOM 507 C2 DT B 6 -4.961 -28.245 -3.518 1.00 0.49 C ATOM 508 O2 DT B 6 -5.273 -29.265 -2.908 1.00 0.76 O ATOM 509 N3 DT B 6 -5.675 -27.806 -4.618 1.00 0.50 N ATOM 510 C4 DT B 6 -5.402 -26.675 -5.368 1.00 0.28 C ATOM 511 O4 DT B 6 -6.106 -26.377 -6.331 1.00 0.33 O ATOM 512 C5 DT B 6 -4.254 -25.926 -4.906 1.00 0.29 C ATOM 513 C7 DT B 6 -3.842 -24.655 -5.640 1.00 0.60 C ATOM 514 C6 DT B 6 -3.543 -26.335 -3.836 1.00 0.28 C ATOM 0 H5' DT B 6 -2.192 -25.175 0.881 1.00 0.43 H new ATOM 0 H5'' DT B 6 -0.576 -25.852 0.942 1.00 0.43 H new ATOM 0 H4' DT B 6 -2.256 -27.571 0.758 1.00 0.35 H new ATOM 0 H3' DT B 6 -0.006 -27.413 -1.041 1.00 0.36 H new ATOM 0 H2' DT B 6 -1.247 -27.566 -3.064 1.00 0.33 H new ATOM 0 H2'' DT B 6 -1.486 -29.234 -2.582 1.00 0.33 H new ATOM 0 H1' DT B 6 -3.566 -28.828 -1.627 1.00 0.27 H new ATOM 0 H3 DT B 6 -6.477 -28.368 -4.903 1.00 0.50 H new ATOM 0 H71 DT B 6 -3.373 -23.965 -4.938 1.00 0.60 H new ATOM 0 H72 DT B 6 -3.135 -24.905 -6.431 1.00 0.60 H new ATOM 0 H73 DT B 6 -4.723 -24.185 -6.076 1.00 0.60 H new ATOM 0 H6 DT B 6 -2.690 -25.756 -3.515 1.00 0.28 H new ATOM 527 P DG B 7 0.257 -30.244 -0.774 1.00 0.45 P ATOM 528 OP1 DG B 7 1.474 -29.558 -1.261 1.00 0.49 O ATOM 529 OP2 DG B 7 -0.494 -31.144 -1.677 1.00 0.54 O ATOM 530 O5' DG B 7 0.642 -31.069 0.554 1.00 0.41 O ATOM 531 C5' DG B 7 1.597 -30.546 1.481 1.00 0.38 C ATOM 532 C4' DG B 7 1.069 -30.577 2.912 1.00 0.26 C ATOM 533 O4' DG B 7 2.107 -30.180 3.808 1.00 0.27 O ATOM 534 C3' DG B 7 -0.125 -29.644 3.150 1.00 0.16 C ATOM 535 O3' DG B 7 -1.220 -30.396 3.687 1.00 0.23 O ATOM 536 C2' DG B 7 0.367 -28.635 4.185 1.00 0.17 C ATOM 537 C1' DG B 7 1.534 -29.368 4.824 1.00 0.17 C ATOM 538 N9 DG B 7 2.595 -28.483 5.335 1.00 0.21 N ATOM 539 C8 DG B 7 3.576 -27.834 4.636 1.00 0.36 C ATOM 540 N7 DG B 7 4.375 -27.122 5.382 1.00 0.39 N ATOM 541 C5 DG B 7 3.887 -27.314 6.671 1.00 0.26 C ATOM 542 C6 DG B 7 4.351 -26.788 7.907 1.00 0.24 C ATOM 543 O6 DG B 7 5.303 -26.036 8.106 1.00 0.34 O ATOM 544 N1 DG B 7 3.576 -27.230 8.971 1.00 0.17 N ATOM 545 C2 DG B 7 2.489 -28.071 8.862 1.00 0.18 C ATOM 546 N2 DG B 7 1.868 -28.385 9.998 1.00 0.31 N ATOM 547 N3 DG B 7 2.051 -28.566 7.700 1.00 0.15 N ATOM 548 C4 DG B 7 2.797 -28.146 6.652 1.00 0.16 C ATOM 0 H5' DG B 7 1.846 -29.521 1.207 1.00 0.38 H new ATOM 0 H5'' DG B 7 2.518 -31.125 1.420 1.00 0.38 H new ATOM 0 H4' DG B 7 0.736 -31.600 3.087 1.00 0.26 H new ATOM 0 H3' DG B 7 -0.468 -29.162 2.234 1.00 0.16 H new ATOM 0 H2' DG B 7 0.679 -27.698 3.723 1.00 0.17 H new ATOM 0 H2'' DG B 7 -0.406 -28.389 4.913 1.00 0.17 H new ATOM 0 H1' DG B 7 1.149 -29.923 5.679 1.00 0.17 H new ATOM 0 H8 DG B 7 3.680 -27.905 3.563 1.00 0.36 H new ATOM 0 H1 DG B 7 3.830 -26.908 9.905 1.00 0.17 H new ATOM 0 H21 DG B 7 1.057 -29.003 9.982 1.00 0.31 H new ATOM 0 H22 DG B 7 2.204 -28.007 10.884 1.00 0.31 H new ATOM 560 P DG B 8 -2.700 -29.758 3.732 1.00 0.33 P ATOM 561 OP1 DG B 8 -3.683 -30.863 3.666 1.00 0.46 O ATOM 562 OP2 DG B 8 -2.760 -28.660 2.741 1.00 0.37 O ATOM 563 O5' DG B 8 -2.767 -29.111 5.205 1.00 0.39 O ATOM 564 C5' DG B 8 -3.249 -29.877 6.312 1.00 0.37 C ATOM 565 C4' DG B 8 -3.231 -29.067 7.607 1.00 0.34 C ATOM 566 O4' DG B 8 -1.920 -28.565 7.842 1.00 0.29 O ATOM 567 C3' DG B 8 -4.176 -27.861 7.601 1.00 0.39 C ATOM 568 O3' DG B 8 -5.215 -28.070 8.563 1.00 0.49 O ATOM 569 C2' DG B 8 -3.308 -26.672 8.025 1.00 0.31 C ATOM 570 C1' DG B 8 -2.055 -27.347 8.561 1.00 0.21 C ATOM 571 N9 DG B 8 -0.818 -26.566 8.367 1.00 0.19 N ATOM 572 C8 DG B 8 -0.190 -26.233 7.196 1.00 0.25 C ATOM 573 N7 DG B 8 0.891 -25.524 7.359 1.00 0.29 N ATOM 574 C5 DG B 8 0.990 -25.375 8.739 1.00 0.24 C ATOM 575 C6 DG B 8 1.969 -24.693 9.513 1.00 0.29 C ATOM 576 O6 DG B 8 2.956 -24.076 9.121 1.00 0.37 O ATOM 577 N1 DG B 8 1.697 -24.787 10.871 1.00 0.26 N ATOM 578 C2 DG B 8 0.619 -25.451 11.419 1.00 0.20 C ATOM 579 N2 DG B 8 0.526 -25.430 12.749 1.00 0.22 N ATOM 580 N3 DG B 8 -0.301 -26.091 10.692 1.00 0.16 N ATOM 581 C4 DG B 8 -0.053 -26.010 9.365 1.00 0.18 C ATOM 0 H5' DG B 8 -2.635 -30.770 6.432 1.00 0.37 H new ATOM 0 H5'' DG B 8 -4.265 -30.214 6.107 1.00 0.37 H new ATOM 0 H4' DG B 8 -3.562 -29.757 8.384 1.00 0.34 H new ATOM 0 H3' DG B 8 -4.643 -27.701 6.629 1.00 0.39 H new ATOM 0 H2' DG B 8 -3.086 -26.013 7.185 1.00 0.31 H new ATOM 0 H2'' DG B 8 -3.798 -26.064 8.786 1.00 0.31 H new ATOM 0 H1' DG B 8 -2.174 -27.473 9.637 1.00 0.21 H new ATOM 0 H8 DG B 8 -0.558 -26.531 6.225 1.00 0.25 H new ATOM 0 H1 DG B 8 2.344 -24.330 11.513 1.00 0.26 H new ATOM 0 H21 DG B 8 -0.249 -25.903 13.214 1.00 0.22 H new ATOM 0 H22 DG B 8 1.230 -24.941 13.302 1.00 0.22 H new ATOM 593 P DG B 9 -6.357 -26.958 8.792 1.00 0.55 P ATOM 594 OP1 DG B 9 -7.614 -27.650 9.155 1.00 0.74 O ATOM 595 OP2 DG B 9 -6.334 -26.029 7.639 1.00 0.64 O ATOM 596 O5' DG B 9 -5.825 -26.165 10.088 1.00 0.41 O ATOM 597 C5' DG B 9 -5.796 -26.804 11.368 1.00 0.39 C ATOM 598 C4' DG B 9 -5.475 -25.811 12.481 1.00 0.31 C ATOM 599 O4' DG B 9 -4.205 -25.202 12.227 1.00 0.27 O ATOM 600 C3' DG B 9 -6.503 -24.685 12.621 1.00 0.29 C ATOM 601 O3' DG B 9 -6.880 -24.551 13.996 1.00 0.32 O ATOM 602 C2' DG B 9 -5.765 -23.433 12.163 1.00 0.33 C ATOM 603 C1' DG B 9 -4.320 -23.799 12.452 1.00 0.29 C ATOM 604 N9 DG B 9 -3.341 -23.124 11.577 1.00 0.28 N ATOM 605 C8 DG B 9 -3.280 -23.112 10.207 1.00 0.32 C ATOM 606 N7 DG B 9 -2.286 -22.420 9.728 1.00 0.33 N ATOM 607 C5 DG B 9 -1.638 -21.936 10.859 1.00 0.30 C ATOM 608 C6 DG B 9 -0.482 -21.115 10.962 1.00 0.31 C ATOM 609 O6 DG B 9 0.205 -20.650 10.055 1.00 0.34 O ATOM 610 N1 DG B 9 -0.159 -20.856 12.287 1.00 0.32 N ATOM 611 C2 DG B 9 -0.859 -21.327 13.379 1.00 0.32 C ATOM 612 N2 DG B 9 -0.394 -20.970 14.577 1.00 0.38 N ATOM 613 N3 DG B 9 -1.946 -22.099 13.283 1.00 0.29 N ATOM 614 C4 DG B 9 -2.276 -22.361 11.997 1.00 0.28 C ATOM 0 H5' DG B 9 -5.051 -27.599 11.362 1.00 0.39 H new ATOM 0 H5'' DG B 9 -6.760 -27.273 11.564 1.00 0.39 H new ATOM 0 H4' DG B 9 -5.481 -26.389 13.405 1.00 0.31 H new ATOM 0 H3' DG B 9 -7.409 -24.868 12.044 1.00 0.29 H new ATOM 0 H2' DG B 9 -5.930 -23.225 11.106 1.00 0.33 H new ATOM 0 H2'' DG B 9 -6.081 -22.548 12.715 1.00 0.33 H new ATOM 0 H1' DG B 9 -4.095 -23.489 13.472 1.00 0.29 H new ATOM 0 H8 DG B 9 -3.992 -23.630 9.582 1.00 0.32 H new ATOM 0 H1 DG B 9 0.658 -20.273 12.467 1.00 0.32 H new ATOM 0 H21 DG B 9 -0.868 -21.286 15.423 1.00 0.38 H new ATOM 0 H22 DG B 9 0.436 -20.381 14.647 1.00 0.38 H new ATOM 626 P DT B 10 -7.673 -25.736 14.746 1.00 0.37 P ATOM 627 OP1 DT B 10 -8.446 -26.489 13.733 1.00 0.47 O ATOM 628 OP2 DT B 10 -8.363 -25.159 15.921 1.00 0.41 O ATOM 629 O5' DT B 10 -6.482 -26.682 15.275 1.00 0.40 O ATOM 630 C5' DT B 10 -5.683 -26.283 16.392 1.00 0.37 C ATOM 631 C4' DT B 10 -5.702 -27.330 17.504 1.00 0.33 C ATOM 632 O4' DT B 10 -7.050 -27.569 17.915 1.00 0.22 O ATOM 633 C3' DT B 10 -5.104 -28.684 17.098 1.00 0.39 C ATOM 634 O3' DT B 10 -4.096 -29.055 18.043 1.00 0.45 O ATOM 635 C2' DT B 10 -6.273 -29.661 17.180 1.00 0.38 C ATOM 636 C1' DT B 10 -7.189 -28.963 18.168 1.00 0.24 C ATOM 637 N1 DT B 10 -8.616 -29.311 18.029 1.00 0.14 N ATOM 638 C2 DT B 10 -9.257 -29.826 19.139 1.00 0.27 C ATOM 639 O2 DT B 10 -8.676 -29.997 20.209 1.00 0.44 O ATOM 640 N3 DT B 10 -10.593 -30.141 18.975 1.00 0.25 N ATOM 641 C4 DT B 10 -11.331 -29.985 17.816 1.00 0.22 C ATOM 642 O4 DT B 10 -12.519 -30.298 17.781 1.00 0.32 O ATOM 643 C5 DT B 10 -10.578 -29.438 16.709 1.00 0.23 C ATOM 644 C7 DT B 10 -11.270 -29.213 15.369 1.00 0.45 C ATOM 645 C6 DT B 10 -9.273 -29.125 16.843 1.00 0.16 C ATOM 0 H5' DT B 10 -6.050 -25.333 16.781 1.00 0.37 H new ATOM 0 H5'' DT B 10 -4.656 -26.119 16.065 1.00 0.37 H new ATOM 0 H4' DT B 10 -5.088 -26.917 18.304 1.00 0.33 H new ATOM 0 H3' DT B 10 -4.648 -28.666 16.108 1.00 0.39 H new ATOM 0 H2' DT B 10 -6.752 -29.809 16.212 1.00 0.38 H new ATOM 0 H2'' DT B 10 -5.961 -30.643 17.535 1.00 0.38 H new ATOM 0 H1' DT B 10 -6.900 -29.271 19.173 1.00 0.24 H new ATOM 0 H3 DT B 10 -11.080 -30.525 19.785 1.00 0.25 H new ATOM 0 H71 DT B 10 -10.804 -28.372 14.856 1.00 0.45 H new ATOM 0 H72 DT B 10 -11.176 -30.109 14.756 1.00 0.45 H new ATOM 0 H73 DT B 10 -12.325 -28.997 15.536 1.00 0.45 H new ATOM 0 H6 DT B 10 -8.736 -28.720 15.998 1.00 0.16 H new ATOM 658 P DG B 11 -3.406 -30.510 17.985 1.00 0.50 P ATOM 659 OP1 DG B 11 -3.605 -31.063 16.627 1.00 0.56 O ATOM 660 OP2 DG B 11 -3.849 -31.281 19.167 1.00 0.64 O ATOM 661 O5' DG B 11 -1.844 -30.164 18.165 1.00 0.41 O ATOM 662 C5' DG B 11 -1.000 -30.002 17.021 1.00 0.35 C ATOM 663 C4' DG B 11 0.272 -29.234 17.366 1.00 0.25 C ATOM 664 O4' DG B 11 1.151 -29.236 16.246 1.00 0.21 O ATOM 665 C3' DG B 11 0.029 -27.767 17.740 1.00 0.28 C ATOM 666 O3' DG B 11 0.386 -27.556 19.110 1.00 0.32 O ATOM 667 C2' DG B 11 0.966 -26.965 16.833 1.00 0.27 C ATOM 668 C1' DG B 11 1.904 -28.034 16.294 1.00 0.17 C ATOM 669 N9 DG B 11 2.412 -27.768 14.936 1.00 0.16 N ATOM 670 C8 DG B 11 2.028 -28.339 13.751 1.00 0.18 C ATOM 671 N7 DG B 11 2.674 -27.885 12.713 1.00 0.18 N ATOM 672 C5 DG B 11 3.548 -26.945 13.247 1.00 0.17 C ATOM 673 C6 DG B 11 4.508 -26.122 12.597 1.00 0.19 C ATOM 674 O6 DG B 11 4.776 -26.062 11.400 1.00 0.21 O ATOM 675 N1 DG B 11 5.184 -25.315 13.504 1.00 0.22 N ATOM 676 C2 DG B 11 4.965 -25.300 14.865 1.00 0.22 C ATOM 677 N2 DG B 11 5.714 -24.455 15.575 1.00 0.28 N ATOM 678 N3 DG B 11 4.064 -26.073 15.477 1.00 0.18 N ATOM 679 C4 DG B 11 3.395 -26.867 14.609 1.00 0.16 C ATOM 0 H5' DG B 11 -1.544 -29.473 16.239 1.00 0.35 H new ATOM 0 H5'' DG B 11 -0.737 -30.981 16.620 1.00 0.35 H new ATOM 0 H4' DG B 11 0.694 -29.743 18.232 1.00 0.25 H new ATOM 0 H3' DG B 11 -1.014 -27.475 17.617 1.00 0.28 H new ATOM 0 H2' DG B 11 0.423 -26.462 16.033 1.00 0.27 H new ATOM 0 H2'' DG B 11 1.504 -26.195 17.386 1.00 0.27 H new ATOM 0 H1' DG B 11 2.776 -28.074 16.947 1.00 0.17 H new ATOM 0 H8 DG B 11 1.261 -29.096 13.683 1.00 0.18 H new ATOM 0 H1 DG B 11 5.897 -24.686 13.135 1.00 0.22 H new ATOM 0 H21 DG B 11 5.599 -24.398 16.587 1.00 0.28 H new ATOM 0 H22 DG B 11 6.402 -23.866 15.106 1.00 0.28 H new ATOM 691 P DG B 12 -0.143 -26.253 19.897 1.00 0.38 P ATOM 692 OP1 DG B 12 0.088 -26.459 21.343 1.00 0.50 O ATOM 693 OP2 DG B 12 -1.504 -25.939 19.406 1.00 0.50 O ATOM 694 O5' DG B 12 0.854 -25.097 19.386 1.00 0.30 O ATOM 695 C5' DG B 12 2.051 -24.799 20.110 1.00 0.25 C ATOM 696 C4' DG B 12 2.752 -23.563 19.552 1.00 0.18 C ATOM 697 O4' DG B 12 3.130 -23.791 18.199 1.00 0.17 O ATOM 698 C3' DG B 12 1.886 -22.300 19.562 1.00 0.16 C ATOM 699 O3' DG B 12 2.422 -21.367 20.506 1.00 0.20 O ATOM 700 C2' DG B 12 1.995 -21.727 18.145 1.00 0.19 C ATOM 701 C1' DG B 12 3.141 -22.531 17.544 1.00 0.16 C ATOM 702 N9 DG B 12 3.015 -22.774 16.092 1.00 0.13 N ATOM 703 C8 DG B 12 2.103 -23.554 15.426 1.00 0.15 C ATOM 704 N7 DG B 12 2.263 -23.565 14.132 1.00 0.15 N ATOM 705 C5 DG B 12 3.359 -22.735 13.922 1.00 0.14 C ATOM 706 C6 DG B 12 3.999 -22.364 12.707 1.00 0.16 C ATOM 707 O6 DG B 12 3.716 -22.706 11.561 1.00 0.19 O ATOM 708 N1 DG B 12 5.067 -21.508 12.936 1.00 0.16 N ATOM 709 C2 DG B 12 5.472 -21.062 14.177 1.00 0.14 C ATOM 710 N2 DG B 12 6.523 -20.241 14.195 1.00 0.16 N ATOM 711 N3 DG B 12 4.873 -21.410 15.320 1.00 0.12 N ATOM 712 C4 DG B 12 3.826 -22.246 15.116 1.00 0.12 C ATOM 0 H5' DG B 12 2.727 -25.653 20.064 1.00 0.25 H new ATOM 0 H5'' DG B 12 1.811 -24.638 21.161 1.00 0.25 H new ATOM 0 H4' DG B 12 3.609 -23.399 20.205 1.00 0.18 H new ATOM 0 H3' DG B 12 0.852 -22.506 19.840 1.00 0.16 H new ATOM 0 H2' DG B 12 1.070 -21.858 17.583 1.00 0.19 H new ATOM 0 H2'' DG B 12 2.212 -20.659 18.156 1.00 0.19 H new ATOM 0 H1' DG B 12 4.060 -21.961 17.682 1.00 0.16 H new ATOM 0 H8 DG B 12 1.324 -24.108 15.928 1.00 0.15 H new ATOM 0 H1 DG B 12 5.593 -21.184 12.124 1.00 0.16 H new ATOM 0 H21 DG B 12 6.871 -19.877 15.082 1.00 0.16 H new ATOM 0 H22 DG B 12 6.979 -19.977 13.322 1.00 0.16 H new ATOM 724 P DG B 13 1.724 -19.933 20.727 1.00 0.24 P ATOM 725 OP1 DG B 13 2.067 -19.453 22.084 1.00 0.32 O ATOM 726 OP2 DG B 13 0.306 -20.041 20.319 1.00 0.26 O ATOM 727 O5' DG B 13 2.486 -19.004 19.656 1.00 0.25 O ATOM 728 C5' DG B 13 3.873 -18.696 19.822 1.00 0.23 C ATOM 729 C4' DG B 13 4.354 -17.696 18.777 1.00 0.21 C ATOM 730 O4' DG B 13 4.165 -18.238 17.470 1.00 0.25 O ATOM 731 C3' DG B 13 3.616 -16.352 18.819 1.00 0.21 C ATOM 732 O3' DG B 13 4.565 -15.295 19.009 1.00 0.27 O ATOM 733 C2' DG B 13 2.960 -16.221 17.444 1.00 0.20 C ATOM 734 C1' DG B 13 3.797 -17.171 16.606 1.00 0.19 C ATOM 735 N9 DG B 13 3.093 -17.748 15.446 1.00 0.20 N ATOM 736 C8 DG B 13 1.950 -18.503 15.421 1.00 0.28 C ATOM 737 N7 DG B 13 1.588 -18.876 14.225 1.00 0.30 N ATOM 738 C5 DG B 13 2.563 -18.330 13.395 1.00 0.23 C ATOM 739 C6 DG B 13 2.700 -18.401 11.981 1.00 0.27 C ATOM 740 O6 DG B 13 1.972 -18.973 11.172 1.00 0.33 O ATOM 741 N1 DG B 13 3.824 -17.711 11.543 1.00 0.28 N ATOM 742 C2 DG B 13 4.707 -17.038 12.364 1.00 0.27 C ATOM 743 N2 DG B 13 5.731 -16.432 11.765 1.00 0.37 N ATOM 744 N3 DG B 13 4.578 -16.972 13.691 1.00 0.20 N ATOM 745 C4 DG B 13 3.487 -17.638 14.135 1.00 0.18 C ATOM 0 H5' DG B 13 4.461 -19.611 19.749 1.00 0.23 H new ATOM 0 H5'' DG B 13 4.039 -18.289 20.820 1.00 0.23 H new ATOM 0 H4' DG B 13 5.404 -17.516 19.006 1.00 0.21 H new ATOM 0 H3' DG B 13 2.888 -16.298 19.628 1.00 0.21 H new ATOM 0 H2' DG B 13 1.909 -16.511 17.463 1.00 0.20 H new ATOM 0 H2'' DG B 13 3.002 -15.199 17.067 1.00 0.20 H new ATOM 0 H1' DG B 13 4.637 -16.608 16.199 1.00 0.19 H new ATOM 0 H8 DG B 13 1.398 -18.766 16.312 1.00 0.28 H new ATOM 0 H1 DG B 13 4.011 -17.701 10.540 1.00 0.28 H new ATOM 0 H21 DG B 13 6.416 -15.919 12.320 1.00 0.37 H new ATOM 0 H22 DG B 13 5.830 -16.481 10.751 1.00 0.37 H new ATOM 757 P DT B 14 5.771 -15.071 17.966 1.00 0.22 P ATOM 758 OP1 DT B 14 5.453 -13.887 17.137 1.00 0.30 O ATOM 759 OP2 DT B 14 6.072 -16.367 17.318 1.00 0.26 O ATOM 760 O5' DT B 14 7.007 -14.697 18.928 1.00 0.27 O ATOM 761 C5' DT B 14 7.640 -15.709 19.716 1.00 0.20 C ATOM 762 C4' DT B 14 9.057 -15.306 20.116 1.00 0.21 C ATOM 763 O4' DT B 14 9.012 -14.144 20.944 1.00 0.33 O ATOM 764 C3' DT B 14 9.813 -16.388 20.897 1.00 0.18 C ATOM 765 O3' DT B 14 11.009 -16.732 20.190 1.00 0.26 O ATOM 766 C2' DT B 14 10.172 -15.732 22.230 1.00 0.19 C ATOM 767 C1' DT B 14 10.062 -14.255 21.896 1.00 0.27 C ATOM 768 N1 DT B 14 9.727 -13.393 23.046 1.00 0.39 N ATOM 769 C2 DT B 14 10.589 -12.351 23.333 1.00 0.45 C ATOM 770 O2 DT B 14 11.600 -12.136 22.668 1.00 0.49 O ATOM 771 N3 DT B 14 10.246 -11.562 24.415 1.00 0.57 N ATOM 772 C4 DT B 14 9.133 -11.723 25.221 1.00 0.68 C ATOM 773 O4 DT B 14 8.923 -10.960 26.162 1.00 0.82 O ATOM 774 C5 DT B 14 8.291 -12.836 24.845 1.00 0.69 C ATOM 775 C7 DT B 14 7.029 -13.129 25.649 1.00 0.93 C ATOM 776 C6 DT B 14 8.605 -13.621 23.794 1.00 0.54 C ATOM 0 H5' DT B 14 7.672 -16.642 19.153 1.00 0.20 H new ATOM 0 H5'' DT B 14 7.048 -15.897 20.612 1.00 0.20 H new ATOM 0 H4' DT B 14 9.586 -15.130 19.179 1.00 0.21 H new ATOM 0 H3' DT B 14 9.226 -17.297 21.030 1.00 0.18 H new ATOM 0 H2' DT B 14 9.486 -16.022 23.025 1.00 0.19 H new ATOM 0 H2'' DT B 14 11.175 -16.002 22.560 1.00 0.19 H new ATOM 0 H1' DT B 14 11.034 -13.917 21.537 1.00 0.27 H new ATOM 0 H3 DT B 14 10.872 -10.789 24.640 1.00 0.57 H new ATOM 0 H71 DT B 14 6.280 -13.581 24.999 1.00 0.93 H new ATOM 0 H72 DT B 14 7.266 -13.816 26.461 1.00 0.93 H new ATOM 0 H73 DT B 14 6.637 -12.200 26.062 1.00 0.93 H new ATOM 0 H6 DT B 14 7.957 -14.446 23.538 1.00 0.54 H new ATOM 789 P DG B 15 11.287 -18.254 19.746 1.00 0.27 P ATOM 790 OP1 DG B 15 11.273 -19.102 20.960 1.00 0.32 O ATOM 791 OP2 DG B 15 12.464 -18.269 18.849 1.00 0.34 O ATOM 792 O5' DG B 15 9.981 -18.607 18.872 1.00 0.24 O ATOM 793 C5' DG B 15 9.927 -19.803 18.090 1.00 0.23 C ATOM 794 C4' DG B 15 10.788 -19.694 16.835 1.00 0.23 C ATOM 795 O4' DG B 15 10.633 -20.879 16.047 1.00 0.30 O ATOM 796 C3' DG B 15 10.432 -18.502 15.947 1.00 0.28 C ATOM 797 O3' DG B 15 11.633 -17.864 15.499 1.00 0.33 O ATOM 798 C2' DG B 15 9.697 -19.118 14.764 1.00 0.29 C ATOM 799 C1' DG B 15 10.302 -20.511 14.707 1.00 0.28 C ATOM 800 N9 DG B 15 9.386 -21.542 14.178 1.00 0.24 N ATOM 801 C8 DG B 15 8.505 -22.336 14.865 1.00 0.25 C ATOM 802 N7 DG B 15 7.829 -23.154 14.109 1.00 0.23 N ATOM 803 C5 DG B 15 8.294 -22.885 12.825 1.00 0.19 C ATOM 804 C6 DG B 15 7.922 -23.470 11.584 1.00 0.17 C ATOM 805 O6 DG B 15 7.094 -24.354 11.374 1.00 0.20 O ATOM 806 N1 DG B 15 8.632 -22.913 10.527 1.00 0.14 N ATOM 807 C2 DG B 15 9.580 -21.919 10.648 1.00 0.14 C ATOM 808 N2 DG B 15 10.157 -21.511 9.519 1.00 0.13 N ATOM 809 N3 DG B 15 9.930 -21.368 11.817 1.00 0.17 N ATOM 810 C4 DG B 15 9.248 -21.899 12.858 1.00 0.20 C ATOM 0 H5' DG B 15 8.894 -20.007 17.807 1.00 0.23 H new ATOM 0 H5'' DG B 15 10.265 -20.647 18.691 1.00 0.23 H new ATOM 0 H4' DG B 15 11.812 -19.559 17.184 1.00 0.23 H new ATOM 0 H3' DG B 15 9.834 -17.752 16.464 1.00 0.28 H new ATOM 0 H2' DG B 15 8.619 -19.147 14.924 1.00 0.29 H new ATOM 0 H2'' DG B 15 9.868 -18.561 13.843 1.00 0.29 H new ATOM 0 H1' DG B 15 11.159 -20.468 14.034 1.00 0.28 H new ATOM 0 H8 DG B 15 8.382 -22.288 15.937 1.00 0.25 H new ATOM 0 H1 DG B 15 8.437 -23.266 9.590 1.00 0.14 H new ATOM 0 H21 DG B 15 10.866 -20.778 9.545 1.00 0.13 H new ATOM 0 H22 DG B 15 9.890 -21.931 8.629 1.00 0.13 H new ATOM 822 P DG B 16 11.647 -16.283 15.190 1.00 0.40 P ATOM 823 OP1 DG B 16 13.033 -15.791 15.355 1.00 0.47 O ATOM 824 OP2 DG B 16 10.548 -15.653 15.953 1.00 0.47 O ATOM 825 O5' DG B 16 11.275 -16.220 13.625 1.00 0.35 O ATOM 826 C5' DG B 16 12.307 -16.231 12.634 1.00 0.30 C ATOM 827 C4' DG B 16 11.728 -16.198 11.223 1.00 0.24 C ATOM 828 O4' DG B 16 10.932 -17.365 11.008 1.00 0.25 O ATOM 829 C3' DG B 16 10.836 -14.981 10.943 1.00 0.24 C ATOM 830 O3' DG B 16 11.322 -14.291 9.785 1.00 0.27 O ATOM 831 C2' DG B 16 9.456 -15.569 10.653 1.00 0.26 C ATOM 832 C1' DG B 16 9.802 -16.988 10.234 1.00 0.25 C ATOM 833 N9 DG B 16 8.735 -17.975 10.485 1.00 0.22 N ATOM 834 C8 DG B 16 8.067 -18.240 11.652 1.00 0.26 C ATOM 835 N7 DG B 16 7.176 -19.186 11.548 1.00 0.23 N ATOM 836 C5 DG B 16 7.257 -19.578 10.215 1.00 0.18 C ATOM 837 C6 DG B 16 6.527 -20.574 9.512 1.00 0.16 C ATOM 838 O6 DG B 16 5.648 -21.320 9.939 1.00 0.18 O ATOM 839 N1 DG B 16 6.919 -20.647 8.180 1.00 0.16 N ATOM 840 C2 DG B 16 7.891 -19.860 7.598 1.00 0.16 C ATOM 841 N2 DG B 16 8.132 -20.074 6.305 1.00 0.20 N ATOM 842 N3 DG B 16 8.579 -18.925 8.259 1.00 0.15 N ATOM 843 C4 DG B 16 8.209 -18.841 9.558 1.00 0.17 C ATOM 0 H5' DG B 16 12.920 -17.124 12.756 1.00 0.30 H new ATOM 0 H5'' DG B 16 12.962 -15.372 12.780 1.00 0.30 H new ATOM 0 H4' DG B 16 12.586 -16.147 10.553 1.00 0.24 H new ATOM 0 H3' DG B 16 10.819 -14.273 11.772 1.00 0.24 H new ATOM 0 H2' DG B 16 8.810 -15.548 11.531 1.00 0.26 H new ATOM 0 H2'' DG B 16 8.938 -15.025 9.863 1.00 0.26 H new ATOM 0 H1' DG B 16 9.971 -16.987 9.157 1.00 0.25 H new ATOM 0 H8 DG B 16 8.261 -17.713 12.574 1.00 0.26 H new ATOM 0 H1 DG B 16 6.453 -21.335 7.588 1.00 0.16 H new ATOM 0 H21 DG B 16 8.840 -19.523 5.820 1.00 0.20 H new ATOM 0 H22 DG B 16 7.609 -20.789 5.800 1.00 0.20 H new ATOM 855 P DG B 17 10.766 -12.825 9.413 1.00 0.28 P ATOM 856 OP1 DG B 17 11.841 -12.085 8.717 1.00 0.32 O ATOM 857 OP2 DG B 17 10.138 -12.249 10.622 1.00 0.31 O ATOM 858 O5' DG B 17 9.601 -13.143 8.345 1.00 0.30 O ATOM 859 C5' DG B 17 9.874 -13.117 6.940 1.00 0.31 C ATOM 860 C4' DG B 17 8.586 -13.111 6.122 1.00 0.31 C ATOM 861 O4' DG B 17 7.864 -14.319 6.367 1.00 0.30 O ATOM 862 C3' DG B 17 7.651 -11.944 6.456 1.00 0.32 C ATOM 863 O3' DG B 17 7.397 -11.170 5.276 1.00 0.36 O ATOM 864 C2' DG B 17 6.357 -12.595 6.940 1.00 0.31 C ATOM 865 C1' DG B 17 6.475 -14.011 6.400 1.00 0.31 C ATOM 866 N9 DG B 17 5.813 -15.028 7.239 1.00 0.31 N ATOM 867 C8 DG B 17 5.819 -15.148 8.608 1.00 0.36 C ATOM 868 N7 DG B 17 5.123 -16.155 9.051 1.00 0.37 N ATOM 869 C5 DG B 17 4.620 -16.750 7.901 1.00 0.31 C ATOM 870 C6 DG B 17 3.790 -17.892 7.761 1.00 0.30 C ATOM 871 O6 DG B 17 3.328 -18.611 8.647 1.00 0.32 O ATOM 872 N1 DG B 17 3.511 -18.158 6.427 1.00 0.25 N ATOM 873 C2 DG B 17 3.973 -17.417 5.359 1.00 0.21 C ATOM 874 N2 DG B 17 3.599 -17.828 4.148 1.00 0.19 N ATOM 875 N3 DG B 17 4.755 -16.341 5.490 1.00 0.23 N ATOM 876 C4 DG B 17 5.037 -16.067 6.785 1.00 0.28 C ATOM 0 H5' DG B 17 10.475 -13.985 6.669 1.00 0.31 H new ATOM 0 H5'' DG B 17 10.464 -12.233 6.699 1.00 0.31 H new ATOM 0 H4' DG B 17 8.892 -13.012 5.080 1.00 0.31 H new ATOM 0 H3' DG B 17 8.078 -11.275 7.203 1.00 0.32 H new ATOM 0 H2' DG B 17 6.278 -12.581 8.027 1.00 0.31 H new ATOM 0 H2'' DG B 17 5.476 -12.085 6.550 1.00 0.31 H new ATOM 0 H1' DG B 17 5.988 -14.039 5.425 1.00 0.31 H new ATOM 0 H8 DG B 17 6.352 -14.469 9.257 1.00 0.36 H new ATOM 0 H1 DG B 17 2.919 -18.963 6.221 1.00 0.25 H new ATOM 0 H21 DG B 17 3.909 -17.321 3.319 1.00 0.19 H new ATOM 0 H22 DG B 17 3.003 -18.650 4.050 1.00 0.19 H new ATOM 888 P DT B 18 6.813 -11.853 3.938 1.00 0.38 P ATOM 889 OP1 DT B 18 6.519 -10.779 2.963 1.00 0.45 O ATOM 890 OP2 DT B 18 5.750 -12.806 4.324 1.00 0.38 O ATOM 891 O5' DT B 18 8.075 -12.691 3.392 1.00 0.39 O ATOM 892 C5' DT B 18 9.173 -12.017 2.773 1.00 0.42 C ATOM 893 C4' DT B 18 10.080 -12.988 2.025 1.00 0.37 C ATOM 894 O4' DT B 18 10.716 -13.873 2.958 1.00 0.38 O ATOM 895 C3' DT B 18 9.340 -13.863 1.006 1.00 0.31 C ATOM 896 O3' DT B 18 10.080 -13.972 -0.216 1.00 0.34 O ATOM 897 C2' DT B 18 9.243 -15.205 1.712 1.00 0.26 C ATOM 898 C1' DT B 18 10.546 -15.206 2.486 1.00 0.31 C ATOM 899 N1 DT B 18 10.572 -16.116 3.649 1.00 0.29 N ATOM 900 C2 DT B 18 11.594 -17.044 3.703 1.00 0.38 C ATOM 901 O2 DT B 18 12.456 -17.118 2.829 1.00 0.46 O ATOM 902 N3 DT B 18 11.594 -17.887 4.798 1.00 0.40 N ATOM 903 C4 DT B 18 10.672 -17.881 5.830 1.00 0.33 C ATOM 904 O4 DT B 18 10.767 -18.680 6.759 1.00 0.37 O ATOM 905 C5 DT B 18 9.640 -16.879 5.690 1.00 0.25 C ATOM 906 C7 DT B 18 8.557 -16.768 6.756 1.00 0.25 C ATOM 907 C6 DT B 18 9.619 -16.043 4.631 1.00 0.25 C ATOM 0 H5' DT B 18 9.751 -11.490 3.532 1.00 0.42 H new ATOM 0 H5'' DT B 18 8.795 -11.265 2.081 1.00 0.42 H new ATOM 0 H4' DT B 18 10.796 -12.366 1.487 1.00 0.37 H new ATOM 0 H3' DT B 18 8.369 -13.459 0.719 1.00 0.31 H new ATOM 0 H2' DT B 18 8.373 -15.267 2.365 1.00 0.26 H new ATOM 0 H2'' DT B 18 9.176 -16.038 1.012 1.00 0.26 H new ATOM 0 HO3' DT B 18 9.587 -14.536 -0.848 1.00 0.34 H new ATOM 0 H1' DT B 18 11.336 -15.556 1.821 1.00 0.31 H new ATOM 0 H3 DT B 18 12.343 -18.578 4.850 1.00 0.40 H new ATOM 0 H71 DT B 18 8.382 -17.748 7.200 1.00 0.25 H new ATOM 0 H72 DT B 18 8.878 -16.071 7.530 1.00 0.25 H new ATOM 0 H73 DT B 18 7.635 -16.405 6.302 1.00 0.25 H new ATOM 0 H6 DT B 18 8.836 -15.302 4.556 1.00 0.25 H new TER 921 DT B 18