USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 643 hydrogens (11 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 23 HIS HE2 : A 23 HIS NE2 : A 128 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 149 ZNZN :(H bumps) USER MOD NoAdj-H: B 201 CG1 H4' : B 201 CG1 C4' : B 201 CG1 C5' :(H bumps) USER MOD Set 1.1: A 26 LYS NZ :NH3+ -121:sc= -0.319 (180deg=-3.08!) USER MOD Set 1.2: B 212 A O2' : rot -26:sc= 0.367 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= -0.387 (180deg=0) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 150:sc= -0.428 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.129 (180deg=-0.506) USER MOD Single : A 2 GLN : amide:sc= -6.56! C(o=-6.6!,f=-7!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00248 X(o=-0.0025,f=-0.15) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.37 F(o=-6.8!,f=-1.4) USER MOD Single : A 9 GLN : amide:sc= -4.45! C(o=-4.4!,f=-6.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.99! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.00762 K(o=0.0076,f=-3.2!) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.25! C(o=-6.9!,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -113:sc= 0.748 (180deg=-0.0625) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -5.46! C(o=-5.5!,f=-15!) USER MOD Single : A 46 MET CE :methyl -112:sc= -2.3 (180deg=-3.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00329 K(o=-0.0033,f=-1.2!) USER MOD Single : A 55 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.16) USER MOD Single : B 201 CG1 O2' : rot 7:sc= -1.17 USER MOD Single : B 202 G O2' : rot -32:sc= 0.235 USER MOD Single : B 203 C O2' : rot 23:sc= -0.788 USER MOD Single : B 204 G O2' : rot 15:sc= -3.7! USER MOD Single : B 205 A O2' : rot 3:sc= 0.697 USER MOD Single : B 206 C O2' : rot -95:sc= 0.865 USER MOD Single : B 207 U O2' : rot 132:sc= -0.12! USER MOD Single : B 208 G O2' : rot 97:sc= 0.815 USER MOD Single : B 209 G O2' : rot -63:sc= 0.714 USER MOD Single : B 210 U O2' : rot 15:sc= -2.32! USER MOD Single : B 211 G O2' : rot 84:sc= -0.713! USER MOD Single : B 213 G O2' : rot -95:sc= 1.19 USER MOD Single : B 214 U O2' : rot 100:sc= -1.09! USER MOD Single : B 215 A O2' : rot -23:sc= 0.435 USER MOD Single : B 216 C O2' : rot 29:sc= -1.07 USER MOD Single : B 217 G O2' : rot 12:sc= 0.555 USER MOD Single : B 218 C O2' : rot -127:sc= -0.398 USER MOD Single : B 219 C O2' : rot -22:sc= 0.472 USER MOD Single : B 219 C O3' : rot 180:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.554 9.969 10.921 1.00 0.00 N ATOM 2 CA MET A 1 -30.975 8.638 10.955 1.00 0.00 C ATOM 3 C MET A 1 -31.141 7.933 9.606 1.00 0.00 C ATOM 4 O MET A 1 -31.832 6.920 9.512 1.00 0.00 O ATOM 5 CB MET A 1 -31.656 7.812 12.049 1.00 0.00 C ATOM 6 CG MET A 1 -30.847 7.850 13.347 1.00 0.00 C ATOM 7 SD MET A 1 -31.933 8.135 14.734 1.00 0.00 S ATOM 8 CE MET A 1 -31.345 9.733 15.266 1.00 0.00 C ATOM 0 H1 MET A 1 -30.955 10.622 11.466 1.00 0.00 H new ATOM 0 H2 MET A 1 -31.615 10.296 9.936 1.00 0.00 H new ATOM 0 H3 MET A 1 -32.507 9.944 11.337 1.00 0.00 H new ATOM 0 HA MET A 1 -29.910 8.731 11.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.659 8.198 12.230 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.767 6.780 11.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.313 6.909 13.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.096 8.638 13.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.920 10.063 16.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.291 9.662 15.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.464 10.453 14.456 1.00 0.00 H new ATOM 18 N GLN A 2 -30.494 8.497 8.597 1.00 0.00 N ATOM 19 CA GLN A 2 -30.561 7.936 7.258 1.00 0.00 C ATOM 20 C GLN A 2 -31.986 7.478 6.945 1.00 0.00 C ATOM 21 O GLN A 2 -32.926 7.825 7.661 1.00 0.00 O ATOM 22 CB GLN A 2 -29.567 6.785 7.096 1.00 0.00 C ATOM 23 CG GLN A 2 -29.918 5.622 8.027 1.00 0.00 C ATOM 24 CD GLN A 2 -29.286 5.815 9.407 1.00 0.00 C ATOM 25 OE1 GLN A 2 -29.948 5.779 10.431 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.972 6.019 9.377 1.00 0.00 N ATOM 0 H GLN A 2 -29.921 9.337 8.680 1.00 0.00 H new ATOM 0 HA GLN A 2 -30.286 8.713 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.569 6.441 6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -28.559 7.137 7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -31.001 5.545 8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.570 4.685 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.479 6.037 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.457 6.157 10.247 1.00 0.00 H new ATOM 35 N LYS A 3 -32.104 6.705 5.876 1.00 0.00 N ATOM 36 CA LYS A 3 -33.400 6.196 5.459 1.00 0.00 C ATOM 37 C LYS A 3 -33.961 5.286 6.553 1.00 0.00 C ATOM 38 O LYS A 3 -35.163 5.294 6.816 1.00 0.00 O ATOM 39 CB LYS A 3 -33.295 5.519 4.091 1.00 0.00 C ATOM 40 CG LYS A 3 -33.224 6.557 2.970 1.00 0.00 C ATOM 41 CD LYS A 3 -31.817 6.624 2.372 1.00 0.00 C ATOM 42 CE LYS A 3 -30.891 7.475 3.244 1.00 0.00 C ATOM 43 NZ LYS A 3 -30.149 8.451 2.414 1.00 0.00 N ATOM 0 H LYS A 3 -31.323 6.418 5.285 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.107 7.015 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.408 4.886 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -34.156 4.869 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -33.943 6.305 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.505 7.536 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.410 5.617 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.864 7.044 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.475 8.001 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.189 6.832 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.525 9.020 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.577 7.943 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.823 9.076 1.927 1.00 0.00 H new ATOM 57 N GLY A 4 -33.065 4.524 7.163 1.00 0.00 N ATOM 58 CA GLY A 4 -33.456 3.611 8.223 1.00 0.00 C ATOM 59 C GLY A 4 -34.190 4.353 9.342 1.00 0.00 C ATOM 60 O GLY A 4 -34.856 3.732 10.170 1.00 0.00 O ATOM 0 H GLY A 4 -32.069 4.520 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.099 2.830 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.572 3.118 8.628 1.00 0.00 H new ATOM 64 N ASN A 5 -34.045 5.669 9.332 1.00 0.00 N ATOM 65 CA ASN A 5 -34.686 6.501 10.335 1.00 0.00 C ATOM 66 C ASN A 5 -36.195 6.246 10.315 1.00 0.00 C ATOM 67 O ASN A 5 -36.830 6.176 11.366 1.00 0.00 O ATOM 68 CB ASN A 5 -34.455 7.986 10.048 1.00 0.00 C ATOM 69 CG ASN A 5 -35.384 8.860 10.894 1.00 0.00 C ATOM 70 OD1 ASN A 5 -35.555 8.657 12.085 1.00 0.00 O ATOM 71 ND2 ASN A 5 -35.973 9.839 10.214 1.00 0.00 N ATOM 0 H ASN A 5 -33.492 6.180 8.644 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.258 6.249 11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.417 8.243 10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.625 8.186 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -36.613 10.476 10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -35.785 9.953 9.218 1.00 0.00 H new ATOM 78 N PHE A 6 -36.724 6.114 9.108 1.00 0.00 N ATOM 79 CA PHE A 6 -38.146 5.868 8.937 1.00 0.00 C ATOM 80 C PHE A 6 -38.564 4.568 9.629 1.00 0.00 C ATOM 81 O PHE A 6 -39.753 4.319 9.826 1.00 0.00 O ATOM 82 CB PHE A 6 -38.400 5.735 7.434 1.00 0.00 C ATOM 83 CG PHE A 6 -39.871 5.526 7.068 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.850 5.969 7.903 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.200 4.896 5.908 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.214 5.774 7.562 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.565 4.701 5.569 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.543 5.144 6.403 1.00 0.00 C ATOM 0 H PHE A 6 -36.194 6.173 8.239 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.720 6.684 9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.036 6.632 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.818 4.897 7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -40.589 6.469 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -39.423 4.544 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -42.991 6.126 8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.826 4.201 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.581 4.995 6.145 1.00 0.00 H new ATOM 98 N ARG A 7 -37.564 3.773 9.980 1.00 0.00 N ATOM 99 CA ARG A 7 -37.812 2.506 10.645 1.00 0.00 C ATOM 100 C ARG A 7 -38.596 2.731 11.940 1.00 0.00 C ATOM 101 O ARG A 7 -39.176 1.795 12.489 1.00 0.00 O ATOM 102 CB ARG A 7 -36.501 1.788 10.970 1.00 0.00 C ATOM 103 CG ARG A 7 -36.763 0.356 11.441 1.00 0.00 C ATOM 104 CD ARG A 7 -35.484 -0.285 11.985 1.00 0.00 C ATOM 105 NE ARG A 7 -34.941 -1.246 11.000 1.00 0.00 N ATOM 106 CZ ARG A 7 -33.677 -1.691 11.001 1.00 0.00 C ATOM 107 NH1 ARG A 7 -32.817 -1.262 11.936 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.272 -2.563 10.068 1.00 0.00 N ATOM 0 H ARG A 7 -36.579 3.982 9.816 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.395 1.884 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.862 1.773 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.964 2.337 11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.530 0.359 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.148 -0.238 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.744 0.486 12.199 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.694 -0.795 12.925 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.569 -1.592 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.125 -0.597 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.855 -1.600 11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.926 -2.889 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.310 -2.901 10.069 1.00 0.00 H new ATOM 122 N ASN A 8 -38.590 3.978 12.389 1.00 0.00 N ATOM 123 CA ASN A 8 -39.294 4.338 13.608 1.00 0.00 C ATOM 124 C ASN A 8 -40.788 4.060 13.431 1.00 0.00 C ATOM 125 O ASN A 8 -41.539 4.043 14.405 1.00 0.00 O ATOM 126 CB ASN A 8 -39.124 5.825 13.923 1.00 0.00 C ATOM 127 CG ASN A 8 -39.947 6.687 12.964 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.245 6.729 13.253 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.439 7.273 12.023 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.109 4.751 11.930 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.879 3.746 14.424 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.433 6.020 14.950 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -38.071 6.098 13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.435 7.198 11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -40.018 7.838 11.401 1.00 0.00 H new ATOM 136 N GLN A 9 -41.173 3.848 12.181 1.00 0.00 N ATOM 137 CA GLN A 9 -42.564 3.572 11.864 1.00 0.00 C ATOM 138 C GLN A 9 -43.058 2.360 12.655 1.00 0.00 C ATOM 139 O GLN A 9 -44.245 2.256 12.962 1.00 0.00 O ATOM 140 CB GLN A 9 -42.751 3.359 10.360 1.00 0.00 C ATOM 141 CG GLN A 9 -44.177 2.902 10.045 1.00 0.00 C ATOM 142 CD GLN A 9 -44.667 3.504 8.726 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.990 3.476 7.712 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.878 4.048 8.797 1.00 0.00 N ATOM 0 H GLN A 9 -40.546 3.862 11.376 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.161 4.437 12.152 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.536 4.286 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.039 2.615 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.209 1.814 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.845 3.198 10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.391 4.037 9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.294 4.476 7.970 1.00 0.00 H new ATOM 153 N ARG A 10 -42.122 1.473 12.964 1.00 0.00 N ATOM 154 CA ARG A 10 -42.448 0.272 13.714 1.00 0.00 C ATOM 155 C ARG A 10 -43.113 0.639 15.043 1.00 0.00 C ATOM 156 O ARG A 10 -43.788 -0.188 15.653 1.00 0.00 O ATOM 157 CB ARG A 10 -41.195 -0.560 13.993 1.00 0.00 C ATOM 158 CG ARG A 10 -41.322 -1.961 13.390 1.00 0.00 C ATOM 159 CD ARG A 10 -40.335 -2.930 14.043 1.00 0.00 C ATOM 160 NE ARG A 10 -40.805 -4.324 13.871 1.00 0.00 N ATOM 161 CZ ARG A 10 -41.802 -4.873 14.577 1.00 0.00 C ATOM 162 NH1 ARG A 10 -42.439 -4.151 15.509 1.00 0.00 N ATOM 163 NH2 ARG A 10 -42.160 -6.145 14.354 1.00 0.00 N ATOM 0 H ARG A 10 -41.139 1.563 12.708 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.137 -0.319 13.110 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.321 -0.059 13.577 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -41.037 -0.636 15.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -42.340 -2.328 13.524 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.138 -1.917 12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.348 -2.813 13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -40.234 -2.700 15.104 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.340 -4.902 13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -42.165 -3.184 15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -43.198 -4.569 16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -41.673 -6.695 13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -42.919 -6.563 14.892 1.00 0.00 H new ATOM 177 N LYS A 11 -42.898 1.882 15.452 1.00 0.00 N ATOM 178 CA LYS A 11 -43.467 2.369 16.696 1.00 0.00 C ATOM 179 C LYS A 11 -44.201 3.686 16.435 1.00 0.00 C ATOM 180 O LYS A 11 -44.104 4.622 17.228 1.00 0.00 O ATOM 181 CB LYS A 11 -42.389 2.470 17.776 1.00 0.00 C ATOM 182 CG LYS A 11 -43.000 2.354 19.174 1.00 0.00 C ATOM 183 CD LYS A 11 -42.164 3.120 20.203 1.00 0.00 C ATOM 184 CE LYS A 11 -43.029 4.116 20.978 1.00 0.00 C ATOM 185 NZ LYS A 11 -43.285 3.622 22.349 1.00 0.00 N ATOM 0 H LYS A 11 -42.337 2.565 14.943 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.204 1.663 17.079 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.650 1.682 17.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.864 3.421 17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -44.018 2.744 19.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.064 1.304 19.461 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.701 2.418 20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.356 3.650 19.699 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -42.530 5.084 21.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -43.974 4.268 20.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -43.873 4.310 22.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -43.781 2.709 22.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.381 3.500 22.848 1.00 0.00 H new ATOM 199 N THR A 12 -44.919 3.716 15.321 1.00 0.00 N ATOM 200 CA THR A 12 -45.669 4.903 14.946 1.00 0.00 C ATOM 201 C THR A 12 -44.758 5.906 14.237 1.00 0.00 C ATOM 202 O THR A 12 -43.555 5.946 14.490 1.00 0.00 O ATOM 203 CB THR A 12 -46.327 5.465 16.208 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.722 4.307 16.939 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.642 6.186 15.911 1.00 0.00 C ATOM 0 H THR A 12 -44.997 2.938 14.666 1.00 0.00 H new ATOM 0 HA THR A 12 -46.456 4.665 14.231 1.00 0.00 H new ATOM 0 HB THR A 12 -45.640 6.153 16.700 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.156 4.580 17.774 1.00 0.00 H new ATOM 0 HG21 THR A 12 -48.067 6.565 16.840 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.456 7.017 15.231 1.00 0.00 H new ATOM 0 HG23 THR A 12 -48.342 5.490 15.449 1.00 0.00 H new ATOM 213 N VAL A 13 -45.367 6.695 13.363 1.00 0.00 N ATOM 214 CA VAL A 13 -44.626 7.696 12.615 1.00 0.00 C ATOM 215 C VAL A 13 -45.392 9.020 12.647 1.00 0.00 C ATOM 216 O VAL A 13 -46.418 9.132 13.315 1.00 0.00 O ATOM 217 CB VAL A 13 -44.357 7.195 11.194 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.488 7.600 10.247 1.00 0.00 C ATOM 219 CG2 VAL A 13 -43.005 7.697 10.682 1.00 0.00 C ATOM 0 H VAL A 13 -46.365 6.661 13.157 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.653 7.872 13.073 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.320 6.106 11.224 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.272 7.232 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.427 7.171 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.572 8.687 10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.839 7.327 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.001 8.787 10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.211 7.335 11.336 1.00 0.00 H new ATOM 229 N LYS A 14 -44.864 9.990 11.915 1.00 0.00 N ATOM 230 CA LYS A 14 -45.484 11.303 11.852 1.00 0.00 C ATOM 231 C LYS A 14 -45.628 11.723 10.388 1.00 0.00 C ATOM 232 O LYS A 14 -44.641 11.788 9.656 1.00 0.00 O ATOM 233 CB LYS A 14 -44.706 12.306 12.705 1.00 0.00 C ATOM 234 CG LYS A 14 -45.542 13.557 12.981 1.00 0.00 C ATOM 235 CD LYS A 14 -44.657 14.720 13.432 1.00 0.00 C ATOM 236 CE LYS A 14 -44.231 15.579 12.240 1.00 0.00 C ATOM 237 NZ LYS A 14 -44.351 17.017 12.570 1.00 0.00 N ATOM 0 H LYS A 14 -44.014 9.893 11.360 1.00 0.00 H new ATOM 0 HA LYS A 14 -46.487 11.271 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.419 11.841 13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.785 12.586 12.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -46.089 13.839 12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -46.284 13.341 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.197 15.334 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.774 14.334 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.202 15.347 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.852 15.345 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -44.058 17.587 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -45.339 17.237 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -43.740 17.239 13.382 1.00 0.00 H new ATOM 251 N CYS A 15 -46.867 11.997 10.003 1.00 0.00 N ATOM 252 CA CYS A 15 -47.153 12.409 8.640 1.00 0.00 C ATOM 253 C CYS A 15 -46.954 13.923 8.543 1.00 0.00 C ATOM 254 O CYS A 15 -47.695 14.690 9.155 1.00 0.00 O ATOM 255 CB CYS A 15 -48.559 11.990 8.206 1.00 0.00 C ATOM 256 SG CYS A 15 -48.760 12.243 6.404 1.00 0.00 S ATOM 0 H CYS A 15 -47.683 11.941 10.612 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.468 11.909 7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.728 10.943 8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -49.304 12.572 8.749 1.00 0.00 H new ATOM 261 N PHE A 16 -45.947 14.306 7.771 1.00 0.00 N ATOM 262 CA PHE A 16 -45.641 15.715 7.588 1.00 0.00 C ATOM 263 C PHE A 16 -46.534 16.334 6.511 1.00 0.00 C ATOM 264 O PHE A 16 -46.314 17.471 6.095 1.00 0.00 O ATOM 265 CB PHE A 16 -44.183 15.800 7.134 1.00 0.00 C ATOM 266 CG PHE A 16 -44.009 15.961 5.622 1.00 0.00 C ATOM 267 CD1 PHE A 16 -44.012 14.866 4.817 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.853 17.200 5.084 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.850 15.015 3.414 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.692 17.350 3.681 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.695 16.254 2.876 1.00 0.00 C ATOM 0 H PHE A 16 -45.334 13.666 7.266 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.810 16.257 8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.706 16.642 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.660 14.899 7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.138 13.882 5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.852 18.070 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.850 14.145 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.567 18.334 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.574 16.368 1.809 1.00 0.00 H new ATOM 281 N ASN A 17 -47.524 15.560 6.090 1.00 0.00 N ATOM 282 CA ASN A 17 -48.451 16.019 5.070 1.00 0.00 C ATOM 283 C ASN A 17 -49.793 16.359 5.722 1.00 0.00 C ATOM 284 O ASN A 17 -50.270 17.487 5.616 1.00 0.00 O ATOM 285 CB ASN A 17 -48.697 14.932 4.022 1.00 0.00 C ATOM 286 CG ASN A 17 -49.979 15.211 3.234 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.237 16.316 2.789 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.766 14.148 3.089 1.00 0.00 N ATOM 0 H ASN A 17 -47.704 14.618 6.437 1.00 0.00 H new ATOM 0 HA ASN A 17 -48.016 16.894 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.849 14.882 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.770 13.960 4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.646 14.230 2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.490 13.251 3.487 1.00 0.00 H new ATOM 295 N CYS A 18 -50.362 15.361 6.383 1.00 0.00 N ATOM 296 CA CYS A 18 -51.639 15.541 7.052 1.00 0.00 C ATOM 297 C CYS A 18 -51.369 15.963 8.498 1.00 0.00 C ATOM 298 O CYS A 18 -52.150 16.709 9.087 1.00 0.00 O ATOM 299 CB CYS A 18 -52.499 14.278 6.978 1.00 0.00 C ATOM 300 SG CYS A 18 -51.752 12.951 7.993 1.00 0.00 S ATOM 0 H CYS A 18 -49.962 14.426 6.469 1.00 0.00 H new ATOM 0 HA CYS A 18 -52.210 16.321 6.547 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.507 14.494 7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.588 13.949 5.943 1.00 0.00 H new ATOM 305 N GLY A 19 -50.260 15.468 9.028 1.00 0.00 N ATOM 306 CA GLY A 19 -49.877 15.785 10.393 1.00 0.00 C ATOM 307 C GLY A 19 -50.112 14.590 11.320 1.00 0.00 C ATOM 308 O GLY A 19 -49.336 14.355 12.245 1.00 0.00 O ATOM 0 H GLY A 19 -49.615 14.850 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.826 16.071 10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -50.451 16.642 10.746 1.00 0.00 H new ATOM 312 N LYS A 20 -51.186 13.866 11.039 1.00 0.00 N ATOM 313 CA LYS A 20 -51.532 12.702 11.835 1.00 0.00 C ATOM 314 C LYS A 20 -50.287 11.835 12.032 1.00 0.00 C ATOM 315 O LYS A 20 -49.241 12.103 11.444 1.00 0.00 O ATOM 316 CB LYS A 20 -52.710 11.954 11.206 1.00 0.00 C ATOM 317 CG LYS A 20 -53.994 12.781 11.293 1.00 0.00 C ATOM 318 CD LYS A 20 -54.530 13.110 9.898 1.00 0.00 C ATOM 319 CE LYS A 20 -55.958 13.654 9.974 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.489 13.906 8.615 1.00 0.00 N ATOM 0 H LYS A 20 -51.827 14.064 10.271 1.00 0.00 H new ATOM 0 HA LYS A 20 -51.869 13.005 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.488 11.730 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.853 11.000 11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -54.748 12.230 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.800 13.704 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.882 13.844 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.511 12.215 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -56.598 12.942 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -55.972 14.577 10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.459 14.275 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.887 14.603 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.494 13.018 8.074 1.00 0.00 H new ATOM 334 N GLU A 21 -50.442 10.812 12.861 1.00 0.00 N ATOM 335 CA GLU A 21 -49.344 9.904 13.142 1.00 0.00 C ATOM 336 C GLU A 21 -49.734 8.470 12.776 1.00 0.00 C ATOM 337 O GLU A 21 -50.916 8.159 12.642 1.00 0.00 O ATOM 338 CB GLU A 21 -48.915 9.999 14.607 1.00 0.00 C ATOM 339 CG GLU A 21 -50.050 9.569 15.539 1.00 0.00 C ATOM 340 CD GLU A 21 -49.881 8.112 15.973 1.00 0.00 C ATOM 341 OE1 GLU A 21 -49.871 7.248 15.069 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.766 7.894 17.198 1.00 0.00 O ATOM 0 H GLU A 21 -51.312 10.593 13.347 1.00 0.00 H new ATOM 0 HA GLU A 21 -48.491 10.195 12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -48.042 9.368 14.776 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -48.618 11.022 14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -50.068 10.214 16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -51.007 9.693 15.033 1.00 0.00 H new ATOM 349 N GLY A 22 -48.716 7.635 12.625 1.00 0.00 N ATOM 350 CA GLY A 22 -48.937 6.242 12.276 1.00 0.00 C ATOM 351 C GLY A 22 -48.416 5.938 10.870 1.00 0.00 C ATOM 352 O GLY A 22 -47.978 4.822 10.594 1.00 0.00 O ATOM 0 H GLY A 22 -47.737 7.896 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.437 5.599 13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -50.002 6.015 12.330 1.00 0.00 H new ATOM 356 N HIS A 23 -48.480 6.950 10.018 1.00 0.00 N ATOM 357 CA HIS A 23 -48.020 6.806 8.648 1.00 0.00 C ATOM 358 C HIS A 23 -47.328 8.095 8.200 1.00 0.00 C ATOM 359 O HIS A 23 -47.226 9.048 8.970 1.00 0.00 O ATOM 360 CB HIS A 23 -49.173 6.402 7.727 1.00 0.00 C ATOM 361 CG HIS A 23 -50.169 7.506 7.470 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.397 7.572 8.104 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.106 8.588 6.641 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.037 8.647 7.670 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.235 9.275 6.762 1.00 0.00 N ATOM 0 H HIS A 23 -48.844 7.874 10.250 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.286 6.002 8.590 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.763 6.067 6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.694 5.551 8.166 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.750 6.905 8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.278 8.842 5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.020 8.970 7.980 1.00 0.00 H new ATOM 373 N ILE A 24 -46.870 8.082 6.956 1.00 0.00 N ATOM 374 CA ILE A 24 -46.191 9.238 6.397 1.00 0.00 C ATOM 375 C ILE A 24 -46.891 9.659 5.103 1.00 0.00 C ATOM 376 O ILE A 24 -47.650 8.883 4.523 1.00 0.00 O ATOM 377 CB ILE A 24 -44.699 8.951 6.223 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.476 7.704 5.366 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.999 8.845 7.581 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.005 7.565 4.969 1.00 0.00 C ATOM 0 H ILE A 24 -46.956 7.289 6.320 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.252 10.083 7.083 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.250 9.791 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.792 6.819 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.094 7.759 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.939 8.641 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -44.113 9.783 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.446 8.035 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -42.875 6.670 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.698 8.441 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.392 7.485 5.867 1.00 0.00 H new ATOM 392 N ALA A 25 -46.610 10.884 4.688 1.00 0.00 N ATOM 393 CA ALA A 25 -47.204 11.417 3.473 1.00 0.00 C ATOM 394 C ALA A 25 -46.959 10.442 2.321 1.00 0.00 C ATOM 395 O ALA A 25 -47.841 10.216 1.495 1.00 0.00 O ATOM 396 CB ALA A 25 -46.629 12.807 3.191 1.00 0.00 C ATOM 0 H ALA A 25 -45.979 11.524 5.171 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.282 11.527 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.074 13.207 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.854 13.470 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.549 12.735 3.066 1.00 0.00 H new ATOM 402 N LYS A 26 -45.755 9.889 2.301 1.00 0.00 N ATOM 403 CA LYS A 26 -45.382 8.941 1.264 1.00 0.00 C ATOM 404 C LYS A 26 -46.568 8.019 0.973 1.00 0.00 C ATOM 405 O LYS A 26 -46.711 7.520 -0.143 1.00 0.00 O ATOM 406 CB LYS A 26 -44.104 8.196 1.653 1.00 0.00 C ATOM 407 CG LYS A 26 -44.393 6.719 1.928 1.00 0.00 C ATOM 408 CD LYS A 26 -43.094 5.914 2.020 1.00 0.00 C ATOM 409 CE LYS A 26 -41.878 6.840 2.063 1.00 0.00 C ATOM 410 NZ LYS A 26 -40.673 6.092 2.486 1.00 0.00 N ATOM 0 H LYS A 26 -45.024 10.079 2.987 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.148 9.463 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.370 8.284 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.666 8.656 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -44.952 6.621 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.021 6.314 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.112 5.289 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.016 5.244 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -41.714 7.280 1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.064 7.663 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.283 6.521 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -40.928 5.102 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -39.960 6.126 1.730 1.00 0.00 H new ATOM 424 N ASN A 27 -47.387 7.820 1.994 1.00 0.00 N ATOM 425 CA ASN A 27 -48.555 6.966 1.862 1.00 0.00 C ATOM 426 C ASN A 27 -49.643 7.444 2.827 1.00 0.00 C ATOM 427 O ASN A 27 -50.094 6.685 3.683 1.00 0.00 O ATOM 428 CB ASN A 27 -48.219 5.514 2.209 1.00 0.00 C ATOM 429 CG ASN A 27 -47.012 5.440 3.146 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.072 6.285 4.172 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.089 4.668 2.951 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.265 8.236 2.917 1.00 0.00 H new ATOM 0 HA ASN A 27 -48.896 7.019 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.080 5.040 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.010 4.957 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.107 4.046 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.299 4.644 3.596 1.00 0.00 H new ATOM 438 N CYS A 28 -50.032 8.699 2.655 1.00 0.00 N ATOM 439 CA CYS A 28 -51.058 9.286 3.500 1.00 0.00 C ATOM 440 C CYS A 28 -52.412 8.709 3.083 1.00 0.00 C ATOM 441 O CYS A 28 -52.642 8.445 1.904 1.00 0.00 O ATOM 442 CB CYS A 28 -51.042 10.814 3.429 1.00 0.00 C ATOM 443 SG CYS A 28 -52.289 11.506 4.576 1.00 0.00 S ATOM 0 H CYS A 28 -49.655 9.325 1.943 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.863 9.034 4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.051 11.188 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.251 11.141 2.411 1.00 0.00 H new ATOM 448 N ARG A 29 -53.273 8.530 4.073 1.00 0.00 N ATOM 449 CA ARG A 29 -54.599 7.989 3.824 1.00 0.00 C ATOM 450 C ARG A 29 -55.608 9.124 3.634 1.00 0.00 C ATOM 451 O ARG A 29 -56.810 8.923 3.797 1.00 0.00 O ATOM 452 CB ARG A 29 -55.056 7.099 4.981 1.00 0.00 C ATOM 453 CG ARG A 29 -55.837 5.887 4.466 1.00 0.00 C ATOM 454 CD ARG A 29 -56.512 5.140 5.616 1.00 0.00 C ATOM 455 NE ARG A 29 -57.908 5.608 5.775 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.672 5.344 6.844 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.181 4.613 7.854 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.927 5.811 6.901 1.00 0.00 N ATOM 0 H ARG A 29 -53.079 8.750 5.050 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.547 7.388 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.189 6.763 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.681 7.676 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.590 6.213 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.163 5.214 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.499 4.068 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.958 5.302 6.541 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.313 6.166 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.226 4.258 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.762 4.412 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.300 6.367 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.509 5.611 7.714 1.00 0.00 H new ATOM 472 N ALA A 30 -55.081 10.290 3.289 1.00 0.00 N ATOM 473 CA ALA A 30 -55.920 11.456 3.074 1.00 0.00 C ATOM 474 C ALA A 30 -56.979 11.128 2.019 1.00 0.00 C ATOM 475 O ALA A 30 -56.662 10.985 0.839 1.00 0.00 O ATOM 476 CB ALA A 30 -55.047 12.646 2.673 1.00 0.00 C ATOM 0 H ALA A 30 -54.083 10.452 3.153 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.441 11.729 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.677 13.521 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.331 12.856 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.511 12.410 1.754 1.00 0.00 H new ATOM 482 N PRO A 31 -58.248 11.017 2.494 1.00 0.00 N ATOM 483 CA PRO A 31 -59.356 10.710 1.605 1.00 0.00 C ATOM 484 C PRO A 31 -59.741 11.930 0.766 1.00 0.00 C ATOM 485 O PRO A 31 -60.912 12.302 0.705 1.00 0.00 O ATOM 486 CB PRO A 31 -60.476 10.241 2.520 1.00 0.00 C ATOM 487 CG PRO A 31 -60.117 10.743 3.909 1.00 0.00 C ATOM 488 CD PRO A 31 -58.661 11.180 3.885 1.00 0.00 C ATOM 0 HA PRO A 31 -59.108 9.940 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.437 10.640 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.562 9.154 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.761 11.576 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.268 9.957 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.553 12.214 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.053 10.569 4.553 1.00 0.00 H new ATOM 496 N ARG A 32 -58.733 12.518 0.139 1.00 0.00 N ATOM 497 CA ARG A 32 -58.950 13.688 -0.695 1.00 0.00 C ATOM 498 C ARG A 32 -59.578 14.815 0.128 1.00 0.00 C ATOM 499 O ARG A 32 -60.709 14.692 0.594 1.00 0.00 O ATOM 500 CB ARG A 32 -59.862 13.359 -1.879 1.00 0.00 C ATOM 501 CG ARG A 32 -59.052 13.202 -3.166 1.00 0.00 C ATOM 502 CD ARG A 32 -59.906 12.588 -4.279 1.00 0.00 C ATOM 503 NE ARG A 32 -59.044 12.172 -5.408 1.00 0.00 N ATOM 504 CZ ARG A 32 -59.439 11.357 -6.394 1.00 0.00 C ATOM 505 NH1 ARG A 32 -60.685 10.864 -6.397 1.00 0.00 N ATOM 506 NH2 ARG A 32 -58.588 11.033 -7.377 1.00 0.00 N ATOM 0 H ARG A 32 -57.763 12.206 0.192 1.00 0.00 H new ATOM 0 HA ARG A 32 -57.981 14.009 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -60.411 12.439 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -60.601 14.150 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -58.677 14.174 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -58.183 12.571 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -60.456 11.729 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -60.645 13.312 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 32 -58.089 12.529 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -61.332 11.110 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -60.986 10.243 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -57.639 11.407 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -58.889 10.412 -8.128 1.00 0.00 H new ATOM 520 N LYS A 33 -58.818 15.890 0.278 1.00 0.00 N ATOM 521 CA LYS A 33 -59.286 17.038 1.035 1.00 0.00 C ATOM 522 C LYS A 33 -58.097 17.938 1.376 1.00 0.00 C ATOM 523 O LYS A 33 -57.869 18.258 2.541 1.00 0.00 O ATOM 524 CB LYS A 33 -60.083 16.584 2.260 1.00 0.00 C ATOM 525 CG LYS A 33 -59.445 15.351 2.903 1.00 0.00 C ATOM 526 CD LYS A 33 -59.338 15.518 4.421 1.00 0.00 C ATOM 527 CE LYS A 33 -57.876 15.500 4.872 1.00 0.00 C ATOM 528 NZ LYS A 33 -57.720 14.670 6.087 1.00 0.00 N ATOM 0 H LYS A 33 -57.881 15.990 -0.112 1.00 0.00 H new ATOM 0 HA LYS A 33 -59.976 17.633 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.131 17.394 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -61.108 16.357 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -60.039 14.467 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -58.453 15.188 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -59.803 16.457 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -59.886 14.717 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -57.247 15.107 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -57.538 16.517 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -56.770 14.248 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -57.846 15.264 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -58.434 13.914 6.085 1.00 0.00 H new ATOM 542 N LYS A 34 -57.370 18.323 0.337 1.00 0.00 N ATOM 543 CA LYS A 34 -56.210 19.180 0.511 1.00 0.00 C ATOM 544 C LYS A 34 -56.521 20.243 1.567 1.00 0.00 C ATOM 545 O LYS A 34 -57.457 21.026 1.408 1.00 0.00 O ATOM 546 CB LYS A 34 -55.766 19.761 -0.833 1.00 0.00 C ATOM 547 CG LYS A 34 -54.521 19.042 -1.356 1.00 0.00 C ATOM 548 CD LYS A 34 -54.898 17.944 -2.352 1.00 0.00 C ATOM 549 CE LYS A 34 -55.382 18.546 -3.674 1.00 0.00 C ATOM 550 NZ LYS A 34 -56.483 17.737 -4.240 1.00 0.00 N ATOM 0 H LYS A 34 -57.562 18.057 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.362 18.602 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -56.575 19.669 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -55.556 20.825 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -53.857 19.761 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.971 18.607 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -54.036 17.302 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -55.680 17.315 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.721 19.569 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -54.556 18.593 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -56.799 18.160 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -56.148 16.768 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -57.277 17.714 -3.569 1.00 0.00 H new ATOM 564 N GLY A 35 -55.718 20.236 2.621 1.00 0.00 N ATOM 565 CA GLY A 35 -55.896 21.190 3.703 1.00 0.00 C ATOM 566 C GLY A 35 -54.621 22.006 3.930 1.00 0.00 C ATOM 567 O GLY A 35 -53.613 21.473 4.390 1.00 0.00 O ATOM 0 H GLY A 35 -54.943 19.585 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.724 21.860 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.162 20.662 4.619 1.00 0.00 H new ATOM 571 N CYS A 36 -54.709 23.285 3.596 1.00 0.00 N ATOM 572 CA CYS A 36 -53.574 24.179 3.757 1.00 0.00 C ATOM 573 C CYS A 36 -53.282 24.318 5.253 1.00 0.00 C ATOM 574 O CYS A 36 -54.031 24.972 5.977 1.00 0.00 O ATOM 575 CB CYS A 36 -53.826 25.536 3.096 1.00 0.00 C ATOM 576 SG CYS A 36 -52.330 26.583 3.228 1.00 0.00 S ATOM 0 H CYS A 36 -55.547 23.724 3.215 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.702 23.760 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.091 25.396 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -54.671 26.032 3.575 1.00 0.00 H new ATOM 581 N TRP A 37 -52.190 23.693 5.670 1.00 0.00 N ATOM 582 CA TRP A 37 -51.790 23.740 7.066 1.00 0.00 C ATOM 583 C TRP A 37 -50.885 24.959 7.258 1.00 0.00 C ATOM 584 O TRP A 37 -50.254 25.109 8.303 1.00 0.00 O ATOM 585 CB TRP A 37 -51.124 22.429 7.489 1.00 0.00 C ATOM 586 CG TRP A 37 -50.206 21.825 6.424 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.389 20.702 5.717 1.00 0.00 C ATOM 588 CD2 TRP A 37 -48.944 22.362 5.973 1.00 0.00 C ATOM 589 NE1 TRP A 37 -49.342 20.477 4.846 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.435 21.518 5.007 1.00 0.00 C ATOM 591 CE3 TRP A 37 -48.255 23.522 6.369 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.218 21.745 4.355 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -47.039 23.735 5.708 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.514 22.894 4.733 1.00 0.00 C ATOM 0 H TRP A 37 -51.571 23.152 5.066 1.00 0.00 H new ATOM 0 HA TRP A 37 -52.660 23.847 7.713 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -50.545 22.604 8.396 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.899 21.704 7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -51.248 20.054 5.816 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -49.251 19.691 4.202 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -48.634 24.196 7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.842 21.070 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -46.470 24.613 5.974 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -45.567 23.127 4.269 1.00 0.00 H new ATOM 605 N LYS A 38 -50.850 25.798 6.232 1.00 0.00 N ATOM 606 CA LYS A 38 -50.032 26.998 6.275 1.00 0.00 C ATOM 607 C LYS A 38 -50.900 28.185 6.696 1.00 0.00 C ATOM 608 O LYS A 38 -50.443 29.064 7.426 1.00 0.00 O ATOM 609 CB LYS A 38 -49.313 27.204 4.940 1.00 0.00 C ATOM 610 CG LYS A 38 -48.296 28.343 5.036 1.00 0.00 C ATOM 611 CD LYS A 38 -48.554 29.399 3.959 1.00 0.00 C ATOM 612 CE LYS A 38 -49.566 30.440 4.441 1.00 0.00 C ATOM 613 NZ LYS A 38 -48.883 31.705 4.790 1.00 0.00 N ATOM 0 H LYS A 38 -51.375 25.670 5.367 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.245 26.897 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -48.807 26.283 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.042 27.427 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.352 28.803 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -47.287 27.945 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.618 29.892 3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -48.926 28.917 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -50.307 30.623 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -50.103 30.059 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.955 31.867 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.881 31.645 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -49.333 32.494 4.283 1.00 0.00 H new ATOM 627 N CYS A 39 -52.135 28.174 6.219 1.00 0.00 N ATOM 628 CA CYS A 39 -53.071 29.239 6.536 1.00 0.00 C ATOM 629 C CYS A 39 -54.111 28.689 7.515 1.00 0.00 C ATOM 630 O CYS A 39 -54.497 29.369 8.464 1.00 0.00 O ATOM 631 CB CYS A 39 -53.721 29.816 5.277 1.00 0.00 C ATOM 632 SG CYS A 39 -54.617 28.498 4.376 1.00 0.00 S ATOM 0 H CYS A 39 -52.510 27.443 5.614 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.538 30.068 7.001 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.410 30.616 5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.959 30.255 4.633 1.00 0.00 H new ATOM 637 N GLY A 40 -54.535 27.462 7.250 1.00 0.00 N ATOM 638 CA GLY A 40 -55.523 26.813 8.095 1.00 0.00 C ATOM 639 C GLY A 40 -56.879 26.734 7.391 1.00 0.00 C ATOM 640 O GLY A 40 -57.922 26.731 8.044 1.00 0.00 O ATOM 0 H GLY A 40 -54.212 26.900 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.184 25.810 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -55.626 27.364 9.030 1.00 0.00 H new ATOM 644 N LYS A 41 -56.821 26.672 6.069 1.00 0.00 N ATOM 645 CA LYS A 41 -58.032 26.593 5.271 1.00 0.00 C ATOM 646 C LYS A 41 -58.027 25.289 4.472 1.00 0.00 C ATOM 647 O LYS A 41 -56.989 24.875 3.956 1.00 0.00 O ATOM 648 CB LYS A 41 -58.185 27.844 4.404 1.00 0.00 C ATOM 649 CG LYS A 41 -59.319 28.734 4.918 1.00 0.00 C ATOM 650 CD LYS A 41 -58.960 30.214 4.785 1.00 0.00 C ATOM 651 CE LYS A 41 -60.035 31.099 5.418 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.598 32.513 5.436 1.00 0.00 N ATOM 0 H LYS A 41 -55.955 26.675 5.531 1.00 0.00 H new ATOM 0 HA LYS A 41 -58.911 26.570 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.251 28.405 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.385 27.553 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.231 28.526 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.525 28.499 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -58.000 30.403 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.846 30.471 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.966 31.007 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -60.239 30.762 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -60.339 33.100 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -58.722 32.598 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -59.426 32.835 4.462 1.00 0.00 H new ATOM 666 N GLU A 42 -59.199 24.676 4.392 1.00 0.00 N ATOM 667 CA GLU A 42 -59.342 23.425 3.665 1.00 0.00 C ATOM 668 C GLU A 42 -59.758 23.699 2.217 1.00 0.00 C ATOM 669 O GLU A 42 -60.170 24.810 1.885 1.00 0.00 O ATOM 670 CB GLU A 42 -60.344 22.500 4.357 1.00 0.00 C ATOM 671 CG GLU A 42 -61.766 23.053 4.253 1.00 0.00 C ATOM 672 CD GLU A 42 -62.763 22.147 4.977 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.449 21.763 6.125 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.814 21.857 4.367 1.00 0.00 O ATOM 0 H GLU A 42 -60.059 25.022 4.818 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.377 22.919 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.302 21.509 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.072 22.383 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.802 24.055 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.048 23.145 3.204 1.00 0.00 H new ATOM 681 N GLY A 43 -59.636 22.668 1.395 1.00 0.00 N ATOM 682 CA GLY A 43 -59.995 22.782 -0.008 1.00 0.00 C ATOM 683 C GLY A 43 -58.779 23.162 -0.855 1.00 0.00 C ATOM 684 O GLY A 43 -58.844 23.149 -2.084 1.00 0.00 O ATOM 0 H GLY A 43 -59.293 21.749 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.407 21.836 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.775 23.533 -0.128 1.00 0.00 H new ATOM 688 N HIS A 44 -57.696 23.491 -0.165 1.00 0.00 N ATOM 689 CA HIS A 44 -56.467 23.872 -0.839 1.00 0.00 C ATOM 690 C HIS A 44 -55.269 23.553 0.058 1.00 0.00 C ATOM 691 O HIS A 44 -55.436 23.042 1.164 1.00 0.00 O ATOM 692 CB HIS A 44 -56.514 25.342 -1.265 1.00 0.00 C ATOM 693 CG HIS A 44 -56.082 26.307 -0.187 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.891 26.645 0.884 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.919 27.002 -0.027 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.233 27.506 1.648 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.013 27.727 1.081 1.00 0.00 N ATOM 0 H HIS A 44 -57.645 23.501 0.854 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.356 23.292 -1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.875 25.478 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.530 25.588 -1.573 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.832 26.292 1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.067 26.968 -0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.599 27.954 2.560 1.00 0.00 H new ATOM 705 N GLN A 45 -54.087 23.869 -0.451 1.00 0.00 N ATOM 706 CA GLN A 45 -52.863 23.623 0.291 1.00 0.00 C ATOM 707 C GLN A 45 -51.948 24.848 0.227 1.00 0.00 C ATOM 708 O GLN A 45 -52.231 25.802 -0.498 1.00 0.00 O ATOM 709 CB GLN A 45 -52.147 22.376 -0.232 1.00 0.00 C ATOM 710 CG GLN A 45 -51.585 22.614 -1.635 1.00 0.00 C ATOM 711 CD GLN A 45 -50.236 21.915 -1.811 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.241 22.266 -1.199 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.257 20.908 -2.679 1.00 0.00 N ATOM 0 H GLN A 45 -53.952 24.293 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.123 23.442 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.338 22.105 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.841 21.536 -0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.290 22.245 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.469 23.684 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.124 20.666 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.406 20.378 -2.866 1.00 0.00 H new ATOM 722 N MET A 46 -50.870 24.783 0.993 1.00 0.00 N ATOM 723 CA MET A 46 -49.911 25.874 1.033 1.00 0.00 C ATOM 724 C MET A 46 -49.411 26.215 -0.373 1.00 0.00 C ATOM 725 O MET A 46 -49.375 27.383 -0.757 1.00 0.00 O ATOM 726 CB MET A 46 -48.725 25.482 1.916 1.00 0.00 C ATOM 727 CG MET A 46 -47.660 26.580 1.924 1.00 0.00 C ATOM 728 SD MET A 46 -46.227 26.048 1.003 1.00 0.00 S ATOM 729 CE MET A 46 -45.740 24.634 1.977 1.00 0.00 C ATOM 0 H MET A 46 -50.639 23.991 1.592 1.00 0.00 H new ATOM 0 HA MET A 46 -50.406 26.753 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.070 25.298 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.289 24.551 1.554 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.064 27.493 1.488 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.376 26.815 2.950 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.793 24.843 2.474 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.504 24.427 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.625 23.767 1.327 1.00 0.00 H new ATOM 739 N LYS A 47 -49.036 25.174 -1.101 1.00 0.00 N ATOM 740 CA LYS A 47 -48.539 25.349 -2.455 1.00 0.00 C ATOM 741 C LYS A 47 -49.607 26.048 -3.300 1.00 0.00 C ATOM 742 O LYS A 47 -49.308 26.578 -4.368 1.00 0.00 O ATOM 743 CB LYS A 47 -48.077 24.009 -3.033 1.00 0.00 C ATOM 744 CG LYS A 47 -47.062 23.334 -2.110 1.00 0.00 C ATOM 745 CD LYS A 47 -45.630 23.620 -2.567 1.00 0.00 C ATOM 746 CE LYS A 47 -45.110 24.924 -1.959 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.447 25.749 -2.993 1.00 0.00 N ATOM 0 H LYS A 47 -49.066 24.207 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.659 25.992 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.937 23.354 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -47.632 24.167 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.200 23.691 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.236 22.258 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -44.980 22.795 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -45.598 23.683 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -45.936 25.480 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.407 24.703 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.100 26.630 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.647 25.222 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.128 25.975 -3.746 1.00 0.00 H new ATOM 761 N ASP A 48 -50.829 26.024 -2.788 1.00 0.00 N ATOM 762 CA ASP A 48 -51.941 26.650 -3.482 1.00 0.00 C ATOM 763 C ASP A 48 -52.627 27.646 -2.544 1.00 0.00 C ATOM 764 O ASP A 48 -53.826 27.893 -2.665 1.00 0.00 O ATOM 765 CB ASP A 48 -52.980 25.610 -3.908 1.00 0.00 C ATOM 766 CG ASP A 48 -52.556 24.713 -5.073 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.607 23.927 -4.868 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.192 24.834 -6.142 1.00 0.00 O ATOM 0 H ASP A 48 -51.073 25.581 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.547 27.151 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.214 24.980 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.899 26.128 -4.183 1.00 0.00 H new ATOM 773 N CYS A 49 -51.837 28.189 -1.631 1.00 0.00 N ATOM 774 CA CYS A 49 -52.353 29.152 -0.672 1.00 0.00 C ATOM 775 C CYS A 49 -52.808 30.396 -1.439 1.00 0.00 C ATOM 776 O CYS A 49 -52.358 30.639 -2.558 1.00 0.00 O ATOM 777 CB CYS A 49 -51.318 29.490 0.403 1.00 0.00 C ATOM 778 SG CYS A 49 -52.148 30.219 1.862 1.00 0.00 S ATOM 0 H CYS A 49 -50.843 27.981 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.203 28.722 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.776 28.590 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.583 30.190 0.005 1.00 0.00 H new ATOM 783 N THR A 50 -53.693 31.152 -0.805 1.00 0.00 N ATOM 784 CA THR A 50 -54.213 32.364 -1.414 1.00 0.00 C ATOM 785 C THR A 50 -53.818 33.588 -0.585 1.00 0.00 C ATOM 786 O THR A 50 -53.992 34.723 -1.025 1.00 0.00 O ATOM 787 CB THR A 50 -55.726 32.202 -1.574 1.00 0.00 C ATOM 788 OG1 THR A 50 -56.214 32.161 -0.236 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.111 30.838 -2.152 1.00 0.00 C ATOM 0 H THR A 50 -54.063 30.948 0.124 1.00 0.00 H new ATOM 0 HA THR A 50 -53.783 32.526 -2.402 1.00 0.00 H new ATOM 0 HB THR A 50 -56.109 32.992 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.189 32.059 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.195 30.775 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 50 -55.655 30.717 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 50 -55.757 30.049 -1.489 1.00 0.00 H new ATOM 797 N GLU A 51 -53.292 33.315 0.600 1.00 0.00 N ATOM 798 CA GLU A 51 -52.871 34.381 1.495 1.00 0.00 C ATOM 799 C GLU A 51 -51.927 35.341 0.768 1.00 0.00 C ATOM 800 O GLU A 51 -52.217 36.530 0.648 1.00 0.00 O ATOM 801 CB GLU A 51 -52.212 33.811 2.753 1.00 0.00 C ATOM 802 CG GLU A 51 -51.693 34.933 3.655 1.00 0.00 C ATOM 803 CD GLU A 51 -50.877 34.366 4.819 1.00 0.00 C ATOM 804 OE1 GLU A 51 -49.657 34.182 4.620 1.00 0.00 O ATOM 805 OE2 GLU A 51 -51.491 34.131 5.881 1.00 0.00 O ATOM 0 H GLU A 51 -53.148 32.372 0.961 1.00 0.00 H new ATOM 0 HA GLU A 51 -53.754 34.938 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -52.931 33.202 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -51.388 33.155 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -51.076 35.617 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -52.532 35.511 4.042 1.00 0.00 H new ATOM 812 N ARG A 52 -50.815 34.789 0.303 1.00 0.00 N ATOM 813 CA ARG A 52 -49.827 35.581 -0.409 1.00 0.00 C ATOM 814 C ARG A 52 -50.467 36.270 -1.616 1.00 0.00 C ATOM 815 O ARG A 52 -50.145 37.417 -1.922 1.00 0.00 O ATOM 816 CB ARG A 52 -48.662 34.711 -0.886 1.00 0.00 C ATOM 817 CG ARG A 52 -49.147 33.631 -1.854 1.00 0.00 C ATOM 818 CD ARG A 52 -47.982 32.758 -2.329 1.00 0.00 C ATOM 819 NE ARG A 52 -47.728 31.678 -1.351 1.00 0.00 N ATOM 820 CZ ARG A 52 -48.370 30.501 -1.347 1.00 0.00 C ATOM 821 NH1 ARG A 52 -49.308 30.247 -2.269 1.00 0.00 N ATOM 822 NH2 ARG A 52 -48.073 29.579 -0.421 1.00 0.00 N ATOM 0 H ARG A 52 -50.577 33.803 0.406 1.00 0.00 H new ATOM 0 HA ARG A 52 -49.445 36.332 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -47.914 35.335 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -48.176 34.245 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -49.897 33.009 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -49.631 34.097 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -48.212 32.330 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -47.086 33.367 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 52 -47.020 31.839 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -49.534 30.949 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -49.797 29.352 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -47.359 29.773 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -48.561 28.684 -0.418 1.00 0.00 H new ATOM 836 N GLN A 53 -51.362 35.542 -2.267 1.00 0.00 N ATOM 837 CA GLN A 53 -52.050 36.068 -3.432 1.00 0.00 C ATOM 838 C GLN A 53 -53.454 35.467 -3.537 1.00 0.00 C ATOM 839 O GLN A 53 -53.604 34.258 -3.699 1.00 0.00 O ATOM 840 CB GLN A 53 -51.246 35.809 -4.708 1.00 0.00 C ATOM 841 CG GLN A 53 -51.579 36.843 -5.786 1.00 0.00 C ATOM 842 CD GLN A 53 -50.652 38.057 -5.685 1.00 0.00 C ATOM 843 OE1 GLN A 53 -50.469 38.645 -4.632 1.00 0.00 O ATOM 844 NE2 GLN A 53 -50.081 38.398 -6.837 1.00 0.00 N ATOM 0 H GLN A 53 -51.626 34.591 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 53 -52.146 37.147 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -50.180 35.843 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -51.461 34.808 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -51.484 36.389 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -52.616 37.163 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -50.278 37.862 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -49.446 39.195 -6.875 1.00 0.00 H new ATOM 853 N ALA A 54 -54.445 36.341 -3.440 1.00 0.00 N ATOM 854 CA ALA A 54 -55.831 35.911 -3.522 1.00 0.00 C ATOM 855 C ALA A 54 -56.447 36.434 -4.821 1.00 0.00 C ATOM 856 O ALA A 54 -57.284 37.335 -4.796 1.00 0.00 O ATOM 857 CB ALA A 54 -56.589 36.392 -2.283 1.00 0.00 C ATOM 0 H ALA A 54 -54.316 37.344 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.894 34.823 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -57.628 36.070 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -56.130 35.970 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -56.549 37.480 -2.232 1.00 0.00 H new ATOM 863 N ASN A 55 -56.009 35.846 -5.925 1.00 0.00 N ATOM 864 CA ASN A 55 -56.506 36.242 -7.231 1.00 0.00 C ATOM 865 C ASN A 55 -57.094 35.021 -7.940 1.00 0.00 C ATOM 866 O ASN A 55 -56.605 33.904 -7.768 1.00 0.00 O ATOM 867 CB ASN A 55 -55.380 36.799 -8.104 1.00 0.00 C ATOM 868 CG ASN A 55 -55.899 37.898 -9.034 1.00 0.00 C ATOM 869 OD1 ASN A 55 -56.501 38.871 -8.612 1.00 0.00 O ATOM 870 ND2 ASN A 55 -55.630 37.690 -10.320 1.00 0.00 N ATOM 0 H ASN A 55 -55.315 35.098 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 55 -57.263 37.013 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -54.588 37.198 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -54.941 35.995 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -55.932 38.367 -11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -55.121 36.853 -10.606 1.00 0.00 H new HETATM 877 N NH2 A 56 -58.133 35.273 -8.721 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -43.295 -8.952 1.880 1.00 0.00 O HETATM 880 P CG1 B 201 -42.405 -9.614 0.726 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -41.662 -10.772 1.272 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -41.622 -8.565 0.036 1.00 0.00 O HETATM 883 O5' CG1 B 201 -43.500 -10.168 -0.300 1.00 0.00 O HETATM 884 C5' CG1 B 201 -43.671 -11.574 -0.471 1.00 0.00 C HETATM 885 C4' CG1 B 201 -45.002 -11.859 -1.129 1.00 0.00 C HETATM 886 O4' CG1 B 201 -46.040 -12.217 -0.745 1.00 0.00 O HETATM 887 C3' CG1 B 201 -45.285 -11.016 -2.370 1.00 0.00 C HETATM 888 O3' CG1 B 201 -44.372 -11.375 -3.405 1.00 0.00 O HETATM 889 C2' CG1 B 201 -46.704 -11.336 -2.751 1.00 0.00 C HETATM 890 O2' CG1 B 201 -46.542 -12.264 -3.799 1.00 0.00 O HETATM 891 C1' CG1 B 201 -47.228 -11.913 -1.439 1.00 0.00 C HETATM 892 N9 CG1 B 201 -48.068 -10.969 -0.673 1.00 0.00 N HETATM 893 C8 CG1 B 201 -47.655 -9.906 0.051 1.00 0.00 C HETATM 894 N7 CG1 B 201 -48.662 -9.254 0.623 1.00 0.00 N HETATM 895 C5 CG1 B 201 -49.772 -9.954 0.232 1.00 0.00 C HETATM 896 C6 CG1 B 201 -51.143 -9.764 0.507 1.00 0.00 C HETATM 897 O6 CG1 B 201 -51.611 -8.864 1.204 1.00 0.00 O HETATM 898 N1 CG1 B 201 -52.021 -10.648 -0.040 1.00 0.00 N HETATM 899 C2 CG1 B 201 -51.534 -11.647 -0.810 1.00 0.00 C HETATM 900 N2 CG1 B 201 -52.512 -12.423 -1.271 1.00 0.00 N HETATM 901 N3 CG1 B 201 -50.257 -11.921 -1.138 1.00 0.00 N HETATM 902 C4 CG1 B 201 -49.433 -11.004 -0.560 1.00 0.00 C HETATM 906 C CG1 B 201 -43.057 -7.604 2.278 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -45.595 -12.504 -3.880 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -52.292 -13.220 -1.868 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -42.862 -11.975 -1.081 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -53.482 -12.221 -1.027 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -53.023 -10.559 0.127 1.00 0.00 H new HETATM 0 HB CG1 B 201 -42.035 -7.508 2.646 1.00 0.00 H new HETATM 0 HA CG1 B 201 -43.199 -6.942 1.424 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -46.610 -9.615 0.155 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -43.620 -12.075 0.496 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -45.161 -9.947 -2.195 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -47.381 -10.556 -3.101 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -47.886 -12.767 -1.600 1.00 0.00 H new HETATM 0 H CG1 B 201 -43.755 -7.330 3.069 1.00 0.00 H new ATOM 915 P G B 202 -44.089 -10.360 -4.609 1.00 0.00 P ATOM 916 OP1 G B 202 -43.422 -11.077 -5.719 1.00 0.00 O ATOM 917 OP2 G B 202 -43.429 -9.142 -4.089 1.00 0.00 O ATOM 918 O5' G B 202 -45.560 -9.958 -5.094 1.00 0.00 O ATOM 919 C5' G B 202 -46.208 -10.717 -6.111 1.00 0.00 C ATOM 920 C4' G B 202 -47.670 -10.340 -6.189 1.00 0.00 C ATOM 921 O4' G B 202 -48.329 -10.262 -5.022 1.00 0.00 O ATOM 922 C3' G B 202 -47.926 -8.889 -6.588 1.00 0.00 C ATOM 923 O3' G B 202 -47.678 -8.729 -7.984 1.00 0.00 O ATOM 924 C2' G B 202 -49.369 -8.633 -6.251 1.00 0.00 C ATOM 925 O2' G B 202 -50.037 -9.037 -7.426 1.00 0.00 O ATOM 926 C1' G B 202 -49.547 -9.553 -5.048 1.00 0.00 C ATOM 927 N9 G B 202 -49.769 -8.828 -3.779 1.00 0.00 N ATOM 928 C8 G B 202 -48.837 -8.262 -2.985 1.00 0.00 C ATOM 929 N7 G B 202 -49.363 -7.682 -1.911 1.00 0.00 N ATOM 930 C5 G B 202 -50.707 -7.901 -2.044 1.00 0.00 C ATOM 931 C6 G B 202 -51.799 -7.534 -1.228 1.00 0.00 C ATOM 932 O6 G B 202 -51.722 -6.904 -0.175 1.00 0.00 O ATOM 933 N1 G B 202 -53.041 -7.908 -1.640 1.00 0.00 N ATOM 934 C2 G B 202 -53.156 -8.601 -2.794 1.00 0.00 C ATOM 935 N2 G B 202 -54.429 -8.892 -3.059 1.00 0.00 N ATOM 936 N3 G B 202 -52.192 -9.002 -3.644 1.00 0.00 N ATOM 937 C4 G B 202 -50.978 -8.600 -3.177 1.00 0.00 C ATOM 0 H5' G B 202 -46.110 -11.782 -5.899 1.00 0.00 H new ATOM 0 H5'' G B 202 -45.726 -10.537 -7.072 1.00 0.00 H new ATOM 0 H4' G B 202 -47.990 -11.127 -6.872 1.00 0.00 H new ATOM 0 H3' G B 202 -47.275 -8.185 -6.069 1.00 0.00 H new ATOM 0 H2' G B 202 -49.718 -7.632 -5.998 1.00 0.00 H new ATOM 0 HO2' G B 202 -49.465 -8.864 -8.203 1.00 0.00 H new ATOM 0 H1' G B 202 -50.432 -10.182 -5.142 1.00 0.00 H new ATOM 0 H8 G B 202 -47.778 -8.278 -3.199 1.00 0.00 H new ATOM 0 H1 G B 202 -53.866 -7.670 -1.090 1.00 0.00 H new ATOM 0 H21 G B 202 -54.668 -9.414 -3.902 1.00 0.00 H new ATOM 0 H22 G B 202 -55.165 -8.592 -2.419 1.00 0.00 H new ATOM 949 P C B 203 -46.896 -7.438 -8.514 1.00 0.00 P ATOM 950 OP1 C B 203 -46.302 -7.724 -9.839 1.00 0.00 O ATOM 951 OP2 C B 203 -45.994 -6.931 -7.456 1.00 0.00 O ATOM 952 O5' C B 203 -48.068 -6.368 -8.719 1.00 0.00 O ATOM 953 C5' C B 203 -49.102 -6.616 -9.669 1.00 0.00 C ATOM 954 C4' C B 203 -50.456 -6.395 -9.033 1.00 0.00 C ATOM 955 O4' C B 203 -50.255 -6.494 -7.748 1.00 0.00 O ATOM 956 C3' C B 203 -50.920 -4.942 -9.027 1.00 0.00 C ATOM 957 O3' C B 203 -51.629 -4.665 -10.233 1.00 0.00 O ATOM 958 C2' C B 203 -51.810 -4.815 -7.821 1.00 0.00 C ATOM 959 O2' C B 203 -53.102 -4.921 -8.378 1.00 0.00 O ATOM 960 C1' C B 203 -51.350 -6.015 -7.000 1.00 0.00 C ATOM 961 N1 C B 203 -50.944 -5.666 -5.623 1.00 0.00 N ATOM 962 C2 C B 203 -51.929 -5.666 -4.637 1.00 0.00 C ATOM 963 O2 C B 203 -53.087 -5.954 -4.958 1.00 0.00 O ATOM 964 N3 C B 203 -51.584 -5.351 -3.376 1.00 0.00 N ATOM 965 C4 C B 203 -50.344 -5.045 -3.051 1.00 0.00 C ATOM 966 N4 C B 203 -50.023 -4.737 -1.801 1.00 0.00 N ATOM 967 C5 C B 203 -49.304 -5.038 -4.054 1.00 0.00 C ATOM 968 C6 C B 203 -49.663 -5.354 -5.306 1.00 0.00 C ATOM 0 H5' C B 203 -49.028 -7.638 -10.040 1.00 0.00 H new ATOM 0 H5'' C B 203 -48.983 -5.956 -10.528 1.00 0.00 H new ATOM 0 H4' C B 203 -51.140 -7.065 -9.554 1.00 0.00 H new ATOM 0 H3' C B 203 -50.094 -4.233 -8.977 1.00 0.00 H new ATOM 0 H2' C B 203 -51.789 -3.920 -7.199 1.00 0.00 H new ATOM 0 HO2' C B 203 -53.050 -5.388 -9.238 1.00 0.00 H new ATOM 0 H1' C B 203 -52.148 -6.743 -6.854 1.00 0.00 H new ATOM 0 H41 C B 203 -49.059 -4.502 -1.565 1.00 0.00 H new ATOM 0 H42 C B 203 -50.740 -4.735 -1.076 1.00 0.00 H new ATOM 0 H5 C B 203 -48.283 -4.789 -3.806 1.00 0.00 H new ATOM 0 H6 C B 203 -48.913 -5.360 -6.083 1.00 0.00 H new ATOM 980 P G B 204 -51.139 -3.485 -11.197 1.00 0.00 P ATOM 981 OP1 G B 204 -51.343 -3.877 -12.608 1.00 0.00 O ATOM 982 OP2 G B 204 -49.783 -3.047 -10.798 1.00 0.00 O ATOM 983 O5' G B 204 -52.160 -2.300 -10.860 1.00 0.00 O ATOM 984 C5' G B 204 -53.487 -2.600 -10.434 1.00 0.00 C ATOM 985 C4' G B 204 -53.888 -1.686 -9.299 1.00 0.00 C ATOM 986 O4' G B 204 -54.377 -1.746 -8.048 1.00 0.00 O ATOM 987 C3' G B 204 -53.381 -0.253 -9.434 1.00 0.00 C ATOM 988 O3' G B 204 -53.772 0.271 -10.700 1.00 0.00 O ATOM 989 C2' G B 204 -54.020 0.502 -8.301 1.00 0.00 C ATOM 990 O2' G B 204 -55.234 0.939 -8.868 1.00 0.00 O ATOM 991 C1' G B 204 -54.142 -0.603 -7.257 1.00 0.00 C ATOM 992 N9 G B 204 -52.931 -0.766 -6.426 1.00 0.00 N ATOM 993 C8 G B 204 -51.725 -1.228 -6.818 1.00 0.00 C ATOM 994 N7 G B 204 -50.839 -1.254 -5.827 1.00 0.00 N ATOM 995 C5 G B 204 -51.537 -0.778 -4.751 1.00 0.00 C ATOM 996 C6 G B 204 -51.154 -0.564 -3.409 1.00 0.00 C ATOM 997 O6 G B 204 -50.038 -0.789 -2.942 1.00 0.00 O ATOM 998 N1 G B 204 -52.096 -0.070 -2.560 1.00 0.00 N ATOM 999 C2 G B 204 -53.331 0.185 -3.045 1.00 0.00 C ATOM 1000 N2 G B 204 -54.134 0.662 -2.097 1.00 0.00 N ATOM 1001 N3 G B 204 -53.803 0.022 -4.295 1.00 0.00 N ATOM 1002 C4 G B 204 -52.816 -0.474 -5.093 1.00 0.00 C ATOM 0 H5' G B 204 -53.548 -3.640 -10.113 1.00 0.00 H new ATOM 0 H5'' G B 204 -54.180 -2.483 -11.267 1.00 0.00 H new ATOM 0 H4' G B 204 -54.553 -2.510 -9.558 1.00 0.00 H new ATOM 0 H3' G B 204 -52.295 -0.180 -9.385 1.00 0.00 H new ATOM 0 H2' G B 204 -53.532 1.369 -7.856 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.403 0.447 -9.698 1.00 0.00 H new ATOM 0 H1' G B 204 -54.924 -0.393 -6.528 1.00 0.00 H new ATOM 0 H8 G B 204 -51.504 -1.542 -7.827 1.00 0.00 H new ATOM 0 H1 G B 204 -51.875 0.104 -1.580 1.00 0.00 H new ATOM 0 H21 G B 204 -55.100 0.900 -2.320 1.00 0.00 H new ATOM 0 H22 G B 204 -53.783 0.789 -1.148 1.00 0.00 H new ATOM 1014 P A B 205 -52.913 1.435 -11.385 1.00 0.00 P ATOM 1015 OP1 A B 205 -53.413 1.682 -12.756 1.00 0.00 O ATOM 1016 OP2 A B 205 -51.470 1.148 -11.226 1.00 0.00 O ATOM 1017 O5' A B 205 -53.264 2.715 -10.492 1.00 0.00 O ATOM 1018 C5' A B 205 -54.620 3.140 -10.358 1.00 0.00 C ATOM 1019 C4' A B 205 -54.874 3.627 -8.949 1.00 0.00 C ATOM 1020 O4' A B 205 -54.615 3.094 -8.030 1.00 0.00 O ATOM 1021 C3' A B 205 -54.523 5.093 -8.715 1.00 0.00 C ATOM 1022 O3' A B 205 -55.603 5.915 -9.156 1.00 0.00 O ATOM 1023 C2' A B 205 -54.304 5.218 -7.233 1.00 0.00 C ATOM 1024 O2' A B 205 -55.426 5.963 -6.816 1.00 0.00 O ATOM 1025 C1' A B 205 -54.302 3.750 -6.821 1.00 0.00 C ATOM 1026 N9 A B 205 -53.004 3.289 -6.285 1.00 0.00 N ATOM 1027 C8 A B 205 -51.934 2.857 -6.985 1.00 0.00 C ATOM 1028 N7 A B 205 -50.916 2.513 -6.205 1.00 0.00 N ATOM 1029 C5 A B 205 -51.380 2.743 -4.938 1.00 0.00 C ATOM 1030 C6 A B 205 -50.774 2.574 -3.674 1.00 0.00 C ATOM 1031 N6 A B 205 -49.511 2.112 -3.483 1.00 0.00 N ATOM 1032 N1 A B 205 -51.510 2.899 -2.577 1.00 0.00 N ATOM 1033 C2 A B 205 -52.768 3.361 -2.759 1.00 0.00 C ATOM 1034 N3 A B 205 -53.443 3.561 -3.907 1.00 0.00 N ATOM 1035 C4 A B 205 -52.653 3.217 -4.962 1.00 0.00 C ATOM 0 H5' A B 205 -55.293 2.315 -10.593 1.00 0.00 H new ATOM 0 H5'' A B 205 -54.832 3.937 -11.071 1.00 0.00 H new ATOM 0 H4' A B 205 -55.929 3.375 -9.052 1.00 0.00 H new ATOM 0 H3' A B 205 -53.638 5.411 -9.266 1.00 0.00 H new ATOM 0 H2' A B 205 -53.415 5.708 -6.836 1.00 0.00 H new ATOM 0 HO2' A B 205 -56.011 6.132 -7.584 1.00 0.00 H new ATOM 0 H1' A B 205 -54.999 3.552 -6.007 1.00 0.00 H new ATOM 0 H8 A B 205 -51.909 2.798 -8.063 1.00 0.00 H new ATOM 0 H61 A B 205 -49.140 2.016 -2.538 1.00 0.00 H new ATOM 0 H62 A B 205 -48.933 1.861 -4.285 1.00 0.00 H new ATOM 0 H2 A B 205 -53.308 3.604 -1.856 1.00 0.00 H new ATOM 1047 P C B 206 -55.302 7.304 -9.893 1.00 0.00 P ATOM 1048 OP1 C B 206 -56.534 8.124 -9.931 1.00 0.00 O ATOM 1049 OP2 C B 206 -54.612 7.047 -11.177 1.00 0.00 O ATOM 1050 O5' C B 206 -54.264 8.017 -8.907 1.00 0.00 O ATOM 1051 C5' C B 206 -54.726 8.968 -7.951 1.00 0.00 C ATOM 1052 C4' C B 206 -53.861 8.922 -6.711 1.00 0.00 C ATOM 1053 O4' C B 206 -53.148 7.774 -6.369 1.00 0.00 O ATOM 1054 C3' C B 206 -52.669 9.874 -6.740 1.00 0.00 C ATOM 1055 O3' C B 206 -53.129 11.215 -6.582 1.00 0.00 O ATOM 1056 C2' C B 206 -51.796 9.452 -5.591 1.00 0.00 C ATOM 1057 O2' C B 206 -52.427 10.056 -4.484 1.00 0.00 O ATOM 1058 C1' C B 206 -51.930 7.934 -5.675 1.00 0.00 C ATOM 1059 N1 C B 206 -50.816 7.283 -6.394 1.00 0.00 N ATOM 1060 C2 C B 206 -49.819 6.676 -5.631 1.00 0.00 C ATOM 1061 O2 C B 206 -49.914 6.711 -4.399 1.00 0.00 O ATOM 1062 N3 C B 206 -48.794 6.077 -6.263 1.00 0.00 N ATOM 1063 C4 C B 206 -48.710 6.049 -7.578 1.00 0.00 C ATOM 1064 N4 C B 206 -47.690 5.451 -8.182 1.00 0.00 N ATOM 1065 C5 C B 206 -49.729 6.670 -8.391 1.00 0.00 C ATOM 1066 C6 C B 206 -50.745 7.264 -7.748 1.00 0.00 C ATOM 0 H5' C B 206 -55.763 8.757 -7.689 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.704 9.969 -8.382 1.00 0.00 H new ATOM 0 H4' C B 206 -54.689 9.116 -6.029 1.00 0.00 H new ATOM 0 H3' C B 206 -52.119 9.837 -7.680 1.00 0.00 H new ATOM 0 H2' C B 206 -50.740 9.722 -5.559 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.996 10.915 -4.290 1.00 0.00 H new ATOM 0 H1' C B 206 -51.907 7.465 -4.691 1.00 0.00 H new ATOM 0 H41 C B 206 -47.638 5.437 -9.201 1.00 0.00 H new ATOM 0 H42 C B 206 -46.959 5.006 -7.627 1.00 0.00 H new ATOM 0 H5 C B 206 -49.675 6.657 -9.470 1.00 0.00 H new ATOM 0 H6 C B 206 -51.526 7.739 -8.323 1.00 0.00 H new ATOM 1078 P U B 207 -52.643 12.352 -7.599 1.00 0.00 P ATOM 1079 OP1 U B 207 -53.819 13.029 -8.188 1.00 0.00 O ATOM 1080 OP2 U B 207 -51.640 11.791 -8.532 1.00 0.00 O ATOM 1081 O5' U B 207 -51.899 13.396 -6.642 1.00 0.00 O ATOM 1082 C5' U B 207 -52.413 13.660 -5.339 1.00 0.00 C ATOM 1083 C4' U B 207 -51.340 13.429 -4.299 1.00 0.00 C ATOM 1084 O4' U B 207 -50.822 12.393 -4.410 1.00 0.00 O ATOM 1085 C3' U B 207 -50.169 14.405 -4.373 1.00 0.00 C ATOM 1086 O3' U B 207 -50.451 15.545 -3.565 1.00 0.00 O ATOM 1087 C2' U B 207 -48.982 13.640 -3.856 1.00 0.00 C ATOM 1088 O2' U B 207 -48.840 14.141 -2.545 1.00 0.00 O ATOM 1089 C1' U B 207 -49.499 12.209 -3.959 1.00 0.00 C ATOM 1090 N1 U B 207 -48.727 11.369 -4.899 1.00 0.00 N ATOM 1091 C2 U B 207 -47.695 10.659 -4.365 1.00 0.00 C ATOM 1092 O2 U B 207 -47.395 10.686 -3.182 1.00 0.00 O ATOM 1093 N3 U B 207 -46.975 9.876 -5.239 1.00 0.00 N ATOM 1094 C4 U B 207 -47.246 9.788 -6.581 1.00 0.00 C ATOM 1095 O4 U B 207 -46.535 9.056 -7.267 1.00 0.00 O ATOM 1096 C5 U B 207 -48.333 10.550 -7.085 1.00 0.00 C ATOM 1097 C6 U B 207 -49.019 11.302 -6.221 1.00 0.00 C ATOM 0 H5' U B 207 -53.268 13.014 -5.140 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.770 14.688 -5.282 1.00 0.00 H new ATOM 0 H4' U B 207 -51.901 13.538 -3.371 1.00 0.00 H new ATOM 0 H3' U B 207 -49.984 14.772 -5.383 1.00 0.00 H new ATOM 0 H2' U B 207 -48.011 13.710 -4.346 1.00 0.00 H new ATOM 0 HO2' U B 207 -48.734 13.394 -1.919 1.00 0.00 H new ATOM 0 H1' U B 207 -49.417 11.675 -3.012 1.00 0.00 H new ATOM 0 H3 U B 207 -46.197 9.331 -4.868 1.00 0.00 H new ATOM 0 H5 U B 207 -48.596 10.522 -8.132 1.00 0.00 H new ATOM 0 H6 U B 207 -49.848 11.886 -6.594 1.00 0.00 H new ATOM 1108 P G B 208 -50.194 17.016 -4.140 1.00 0.00 P ATOM 1109 OP1 G B 208 -50.833 18.015 -3.255 1.00 0.00 O ATOM 1110 OP2 G B 208 -50.540 17.056 -5.578 1.00 0.00 O ATOM 1111 O5' G B 208 -48.608 17.181 -4.009 1.00 0.00 O ATOM 1112 C5' G B 208 -47.745 16.567 -4.963 1.00 0.00 C ATOM 1113 C4' G B 208 -46.418 16.229 -4.322 1.00 0.00 C ATOM 1114 O4' G B 208 -46.256 15.151 -4.432 1.00 0.00 O ATOM 1115 C3' G B 208 -45.219 16.938 -4.945 1.00 0.00 C ATOM 1116 O3' G B 208 -44.638 17.820 -3.986 1.00 0.00 O ATOM 1117 C2' G B 208 -44.267 15.842 -5.334 1.00 0.00 C ATOM 1118 O2' G B 208 -43.209 16.009 -4.417 1.00 0.00 O ATOM 1119 C1' G B 208 -45.142 14.612 -5.107 1.00 0.00 C ATOM 1120 N9 G B 208 -45.551 13.941 -6.359 1.00 0.00 N ATOM 1121 C8 G B 208 -46.547 14.301 -7.195 1.00 0.00 C ATOM 1122 N7 G B 208 -46.660 13.486 -8.239 1.00 0.00 N ATOM 1123 C5 G B 208 -45.672 12.559 -8.042 1.00 0.00 C ATOM 1124 C6 G B 208 -45.279 11.436 -8.799 1.00 0.00 C ATOM 1125 O6 G B 208 -45.799 11.069 -9.851 1.00 0.00 O ATOM 1126 N1 G B 208 -44.239 10.695 -8.328 1.00 0.00 N ATOM 1127 C2 G B 208 -43.647 11.075 -7.174 1.00 0.00 C ATOM 1128 N2 G B 208 -42.651 10.255 -6.848 1.00 0.00 N ATOM 1129 N3 G B 208 -43.936 12.120 -6.375 1.00 0.00 N ATOM 1130 C4 G B 208 -44.982 12.817 -6.899 1.00 0.00 C ATOM 0 H5' G B 208 -47.589 17.237 -5.808 1.00 0.00 H new ATOM 0 H5'' G B 208 -48.209 15.662 -5.355 1.00 0.00 H new ATOM 0 H4' G B 208 -46.480 16.558 -3.285 1.00 0.00 H new ATOM 0 H3' G B 208 -45.487 17.544 -5.810 1.00 0.00 H new ATOM 0 H2' G B 208 -43.836 15.802 -6.334 1.00 0.00 H new ATOM 0 HO2' G B 208 -43.324 15.387 -3.669 1.00 0.00 H new ATOM 0 H1' G B 208 -44.617 13.831 -4.557 1.00 0.00 H new ATOM 0 H8 G B 208 -47.183 15.158 -7.033 1.00 0.00 H new ATOM 0 H1 G B 208 -43.914 9.872 -8.834 1.00 0.00 H new ATOM 0 H21 G B 208 -42.112 10.420 -5.998 1.00 0.00 H new ATOM 0 H22 G B 208 -42.427 9.462 -7.448 1.00 0.00 H new ATOM 1142 P G B 209 -44.413 19.362 -4.350 1.00 0.00 P ATOM 1143 OP1 G B 209 -45.221 19.716 -5.539 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.964 19.656 -4.397 1.00 0.00 O ATOM 1145 O5' G B 209 -45.033 20.123 -3.087 1.00 0.00 O ATOM 1146 C5' G B 209 -44.369 20.067 -1.826 1.00 0.00 C ATOM 1147 C4' G B 209 -45.174 19.237 -0.851 1.00 0.00 C ATOM 1148 O4' G B 209 -45.738 19.186 0.439 1.00 0.00 O ATOM 1149 C3' G B 209 -46.213 18.330 -1.503 1.00 0.00 C ATOM 1150 O3' G B 209 -45.915 16.970 -1.195 1.00 0.00 O ATOM 1151 C2' G B 209 -47.532 18.752 -0.918 1.00 0.00 C ATOM 1152 O2' G B 209 -48.344 17.620 -1.138 1.00 0.00 O ATOM 1153 C1' G B 209 -47.133 19.000 0.533 1.00 0.00 C ATOM 1154 N9 G B 209 -47.789 20.182 1.131 1.00 0.00 N ATOM 1155 C8 G B 209 -47.324 21.448 1.166 1.00 0.00 C ATOM 1156 N7 G B 209 -48.156 22.284 1.779 1.00 0.00 N ATOM 1157 C5 G B 209 -49.207 21.488 2.151 1.00 0.00 C ATOM 1158 C6 G B 209 -50.405 21.781 2.836 1.00 0.00 C ATOM 1159 O6 G B 209 -50.736 22.891 3.249 1.00 0.00 O ATOM 1160 N1 G B 209 -51.267 20.752 3.058 1.00 0.00 N ATOM 1161 C2 G B 209 -50.929 19.519 2.615 1.00 0.00 C ATOM 1162 N2 G B 209 -51.870 18.625 2.908 1.00 0.00 N ATOM 1163 N3 G B 209 -49.822 19.129 1.956 1.00 0.00 N ATOM 1164 C4 G B 209 -49.005 20.201 1.765 1.00 0.00 C ATOM 0 H5' G B 209 -44.233 21.074 -1.433 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.375 19.636 -1.948 1.00 0.00 H new ATOM 0 H4' G B 209 -44.136 19.392 -0.556 1.00 0.00 H new ATOM 0 H3' G B 209 -46.226 18.413 -2.590 1.00 0.00 H new ATOM 0 H2' G B 209 -48.064 19.622 -1.302 1.00 0.00 H new ATOM 0 HO2' G B 209 -48.438 17.467 -2.101 1.00 0.00 H new ATOM 0 H1' G B 209 -47.435 18.181 1.186 1.00 0.00 H new ATOM 0 H8 G B 209 -46.378 21.750 0.742 1.00 0.00 H new ATOM 0 H1 G B 209 -52.148 20.907 3.547 1.00 0.00 H new ATOM 0 H21 G B 209 -51.750 17.650 2.634 1.00 0.00 H new ATOM 0 H22 G B 209 -52.711 18.915 3.407 1.00 0.00 H new ATOM 1176 P U B 210 -44.488 16.356 -1.581 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.542 17.452 -1.888 1.00 0.00 O ATOM 1178 OP2 U B 210 -44.660 15.297 -2.599 1.00 0.00 O ATOM 1179 O5' U B 210 -44.016 15.662 -0.219 1.00 0.00 O ATOM 1180 C5' U B 210 -42.728 15.056 -0.138 1.00 0.00 C ATOM 1181 C4' U B 210 -42.867 13.559 0.020 1.00 0.00 C ATOM 1182 O4' U B 210 -44.035 13.385 0.491 1.00 0.00 O ATOM 1183 C3' U B 210 -42.832 12.780 -1.292 1.00 0.00 C ATOM 1184 O3' U B 210 -42.003 11.630 -1.139 1.00 0.00 O ATOM 1185 C2' U B 210 -44.260 12.398 -1.564 1.00 0.00 C ATOM 1186 O2' U B 210 -44.133 11.122 -2.151 1.00 0.00 O ATOM 1187 C1' U B 210 -44.834 12.415 -0.152 1.00 0.00 C ATOM 1188 N1 U B 210 -46.265 12.784 -0.100 1.00 0.00 N ATOM 1189 C2 U B 210 -47.153 11.792 -0.380 1.00 0.00 C ATOM 1190 O2 U B 210 -46.827 10.649 -0.661 1.00 0.00 O ATOM 1191 N3 U B 210 -48.486 12.132 -0.332 1.00 0.00 N ATOM 1192 C4 U B 210 -48.939 13.392 -0.025 1.00 0.00 C ATOM 1193 O4 U B 210 -50.153 13.581 -0.013 1.00 0.00 O ATOM 1194 C5 U B 210 -47.969 14.389 0.258 1.00 0.00 C ATOM 1195 C6 U B 210 -46.681 14.037 0.206 1.00 0.00 C ATOM 0 H5' U B 210 -42.176 15.469 0.706 1.00 0.00 H new ATOM 0 H5'' U B 210 -42.154 15.283 -1.036 1.00 0.00 H new ATOM 0 H4' U B 210 -42.038 13.205 0.632 1.00 0.00 H new ATOM 0 H3' U B 210 -42.420 13.359 -2.119 1.00 0.00 H new ATOM 0 H2' U B 210 -44.888 13.003 -2.218 1.00 0.00 H new ATOM 0 HO2' U B 210 -43.230 10.777 -1.991 1.00 0.00 H new ATOM 0 H1' U B 210 -44.807 11.429 0.312 1.00 0.00 H new ATOM 0 H3 U B 210 -49.175 11.408 -0.536 1.00 0.00 H new ATOM 0 H5 U B 210 -48.262 15.398 0.507 1.00 0.00 H new ATOM 0 H6 U B 210 -45.935 14.788 0.418 1.00 0.00 H new ATOM 1206 P G B 211 -40.556 11.591 -1.822 1.00 0.00 P ATOM 1207 OP1 G B 211 -40.161 12.956 -2.232 1.00 0.00 O ATOM 1208 OP2 G B 211 -40.522 10.530 -2.855 1.00 0.00 O ATOM 1209 O5' G B 211 -39.603 11.139 -0.619 1.00 0.00 O ATOM 1210 C5' G B 211 -40.164 10.798 0.646 1.00 0.00 C ATOM 1211 C4' G B 211 -39.080 10.313 1.582 1.00 0.00 C ATOM 1212 O4' G B 211 -39.162 10.976 2.490 1.00 0.00 O ATOM 1213 C3' G B 211 -39.256 8.873 2.058 1.00 0.00 C ATOM 1214 O3' G B 211 -38.149 8.089 1.615 1.00 0.00 O ATOM 1215 C2' G B 211 -39.309 8.955 3.558 1.00 0.00 C ATOM 1216 O2' G B 211 -38.047 8.454 3.941 1.00 0.00 O ATOM 1217 C1' G B 211 -39.508 10.454 3.755 1.00 0.00 C ATOM 1218 N9 G B 211 -40.890 10.823 4.125 1.00 0.00 N ATOM 1219 C8 G B 211 -41.968 10.877 3.315 1.00 0.00 C ATOM 1220 N7 G B 211 -43.072 11.246 3.957 1.00 0.00 N ATOM 1221 C5 G B 211 -42.656 11.431 5.248 1.00 0.00 C ATOM 1222 C6 G B 211 -43.356 11.824 6.408 1.00 0.00 C ATOM 1223 O6 G B 211 -44.557 12.088 6.461 1.00 0.00 O ATOM 1224 N1 G B 211 -42.647 11.921 7.566 1.00 0.00 N ATOM 1225 C2 G B 211 -41.326 11.637 7.537 1.00 0.00 C ATOM 1226 N2 G B 211 -40.775 11.777 8.741 1.00 0.00 N ATOM 1227 N3 G B 211 -40.561 11.257 6.496 1.00 0.00 N ATOM 1228 C4 G B 211 -41.328 11.180 5.373 1.00 0.00 C ATOM 0 H5' G B 211 -40.920 10.023 0.520 1.00 0.00 H new ATOM 0 H5'' G B 211 -40.665 11.665 1.076 1.00 0.00 H new ATOM 0 H4' G B 211 -38.126 10.349 1.057 1.00 0.00 H new ATOM 0 H3' G B 211 -40.156 8.402 1.663 1.00 0.00 H new ATOM 0 H2' G B 211 -40.066 8.412 4.124 1.00 0.00 H new ATOM 0 HO2' G B 211 -37.382 9.173 3.896 1.00 0.00 H new ATOM 0 H1' G B 211 -38.911 10.841 4.581 1.00 0.00 H new ATOM 0 H8 G B 211 -41.937 10.646 2.261 1.00 0.00 H new ATOM 0 H1 G B 211 -43.102 12.201 8.435 1.00 0.00 H new ATOM 0 H21 G B 211 -39.780 11.595 8.871 1.00 0.00 H new ATOM 0 H22 G B 211 -41.348 12.066 9.534 1.00 0.00 H new ATOM 1240 P A B 212 -36.666 8.684 1.693 1.00 0.00 P ATOM 1241 OP1 A B 212 -35.704 7.592 1.966 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.645 9.854 2.600 1.00 0.00 O ATOM 1243 O5' A B 212 -36.409 9.208 0.203 1.00 0.00 O ATOM 1244 C5' A B 212 -36.432 8.291 -0.889 1.00 0.00 C ATOM 1245 C4' A B 212 -37.858 7.996 -1.291 1.00 0.00 C ATOM 1246 O4' A B 212 -38.756 8.404 -2.296 1.00 0.00 O ATOM 1247 C3' A B 212 -38.146 6.521 -1.555 1.00 0.00 C ATOM 1248 O3' A B 212 -37.596 5.735 -0.502 1.00 0.00 O ATOM 1249 C2' A B 212 -39.646 6.411 -1.600 1.00 0.00 C ATOM 1250 O2' A B 212 -39.981 6.201 -0.247 1.00 0.00 O ATOM 1251 C1' A B 212 -40.014 7.781 -2.162 1.00 0.00 C ATOM 1252 N9 A B 212 -40.719 7.717 -3.459 1.00 0.00 N ATOM 1253 C8 A B 212 -40.222 7.300 -4.642 1.00 0.00 C ATOM 1254 N7 A B 212 -41.115 7.362 -5.625 1.00 0.00 N ATOM 1255 C5 A B 212 -42.240 7.850 -5.015 1.00 0.00 C ATOM 1256 C6 A B 212 -43.525 8.141 -5.521 1.00 0.00 C ATOM 1257 N6 A B 212 -43.899 7.973 -6.815 1.00 0.00 N ATOM 1258 N1 A B 212 -44.448 8.623 -4.644 1.00 0.00 N ATOM 1259 C2 A B 212 -44.084 8.794 -3.353 1.00 0.00 C ATOM 1260 N3 A B 212 -42.898 8.552 -2.766 1.00 0.00 N ATOM 1261 C4 A B 212 -42.021 8.072 -3.693 1.00 0.00 C ATOM 0 H5' A B 212 -35.927 7.367 -0.608 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.886 8.708 -1.735 1.00 0.00 H new ATOM 0 H4' A B 212 -38.019 8.657 -0.439 1.00 0.00 H new ATOM 0 H3' A B 212 -37.702 6.161 -2.483 1.00 0.00 H new ATOM 0 H2' A B 212 -40.136 5.634 -2.187 1.00 0.00 H new ATOM 0 HO2' A B 212 -39.223 5.787 0.217 1.00 0.00 H new ATOM 0 H1' A B 212 -40.714 8.313 -1.518 1.00 0.00 H new ATOM 0 H8 A B 212 -39.208 6.953 -4.776 1.00 0.00 H new ATOM 0 H61 A B 212 -44.848 8.206 -7.106 1.00 0.00 H new ATOM 0 H62 A B 212 -43.231 7.613 -7.496 1.00 0.00 H new ATOM 0 H2 A B 212 -44.854 9.179 -2.701 1.00 0.00 H new ATOM 1273 P G B 213 -37.407 4.157 -0.696 1.00 0.00 P ATOM 1274 OP1 G B 213 -36.929 3.553 0.568 1.00 0.00 O ATOM 1275 OP2 G B 213 -36.616 3.897 -1.919 1.00 0.00 O ATOM 1276 O5' G B 213 -38.901 3.646 -0.954 1.00 0.00 O ATOM 1277 C5' G B 213 -39.672 3.120 0.125 1.00 0.00 C ATOM 1278 C4' G B 213 -41.136 3.436 -0.080 1.00 0.00 C ATOM 1279 O4' G B 213 -41.560 4.067 -1.042 1.00 0.00 O ATOM 1280 C3' G B 213 -42.041 2.210 -0.156 1.00 0.00 C ATOM 1281 O3' G B 213 -42.141 1.615 1.136 1.00 0.00 O ATOM 1282 C2' G B 213 -43.371 2.728 -0.629 1.00 0.00 C ATOM 1283 O2' G B 213 -44.106 2.839 0.569 1.00 0.00 O ATOM 1284 C1' G B 213 -42.951 4.049 -1.266 1.00 0.00 C ATOM 1285 N9 G B 213 -43.261 4.134 -2.709 1.00 0.00 N ATOM 1286 C8 G B 213 -42.507 3.689 -3.736 1.00 0.00 C ATOM 1287 N7 G B 213 -43.068 3.917 -4.919 1.00 0.00 N ATOM 1288 C5 G B 213 -44.246 4.542 -4.610 1.00 0.00 C ATOM 1289 C6 G B 213 -45.285 5.037 -5.427 1.00 0.00 C ATOM 1290 O6 G B 213 -45.310 4.985 -6.656 1.00 0.00 O ATOM 1291 N1 G B 213 -46.347 5.618 -4.806 1.00 0.00 N ATOM 1292 C2 G B 213 -46.346 5.689 -3.456 1.00 0.00 C ATOM 1293 N2 G B 213 -47.448 6.282 -3.002 1.00 0.00 N ATOM 1294 N3 G B 213 -45.417 5.255 -2.584 1.00 0.00 N ATOM 1295 C4 G B 213 -44.385 4.685 -3.266 1.00 0.00 C ATOM 0 H5' G B 213 -39.329 3.545 1.068 1.00 0.00 H new ATOM 0 H5'' G B 213 -39.531 2.041 0.191 1.00 0.00 H new ATOM 0 H4' G B 213 -41.173 4.068 0.807 1.00 0.00 H new ATOM 0 H3' G B 213 -41.661 1.442 -0.830 1.00 0.00 H new ATOM 0 H2' G B 213 -43.976 2.160 -1.336 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.639 2.027 0.702 1.00 0.00 H new ATOM 0 H1' G B 213 -43.486 4.897 -0.840 1.00 0.00 H new ATOM 0 H8 G B 213 -41.552 3.201 -3.610 1.00 0.00 H new ATOM 0 H1 G B 213 -47.127 5.992 -5.347 1.00 0.00 H new ATOM 0 H21 G B 213 -47.584 6.405 -1.999 1.00 0.00 H new ATOM 0 H22 G B 213 -48.156 6.613 -3.657 1.00 0.00 H new ATOM 1307 P U B 214 -41.817 0.060 1.328 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.403 -0.109 1.727 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.288 -0.696 0.147 1.00 0.00 O ATOM 1310 O5' U B 214 -42.735 -0.347 2.574 1.00 0.00 O ATOM 1311 C5' U B 214 -43.799 0.508 2.986 1.00 0.00 C ATOM 1312 C4' U B 214 -45.063 0.167 2.230 1.00 0.00 C ATOM 1313 O4' U B 214 -45.543 0.685 1.415 1.00 0.00 O ATOM 1314 C3' U B 214 -45.295 -1.327 2.030 1.00 0.00 C ATOM 1315 O3' U B 214 -45.926 -1.868 3.189 1.00 0.00 O ATOM 1316 C2' U B 214 -46.180 -1.433 0.819 1.00 0.00 C ATOM 1317 O2' U B 214 -47.308 -2.116 1.319 1.00 0.00 O ATOM 1318 C1' U B 214 -46.397 0.042 0.496 1.00 0.00 C ATOM 1319 N1 U B 214 -46.049 0.398 -0.896 1.00 0.00 N ATOM 1320 C2 U B 214 -46.955 1.158 -1.569 1.00 0.00 C ATOM 1321 O2 U B 214 -48.007 1.546 -1.085 1.00 0.00 O ATOM 1322 N3 U B 214 -46.633 1.491 -2.865 1.00 0.00 N ATOM 1323 C4 U B 214 -45.473 1.098 -3.485 1.00 0.00 C ATOM 1324 O4 U B 214 -45.289 1.454 -4.648 1.00 0.00 O ATOM 1325 C5 U B 214 -44.562 0.305 -2.738 1.00 0.00 C ATOM 1326 C6 U B 214 -44.894 -0.006 -1.482 1.00 0.00 C ATOM 0 H5' U B 214 -43.529 1.549 2.808 1.00 0.00 H new ATOM 0 H5'' U B 214 -43.967 0.401 4.058 1.00 0.00 H new ATOM 0 H4' U B 214 -45.554 0.729 3.025 1.00 0.00 H new ATOM 0 H3' U B 214 -44.370 -1.885 1.884 1.00 0.00 H new ATOM 0 H2' U B 214 -45.846 -1.956 -0.077 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.025 -1.474 1.501 1.00 0.00 H new ATOM 0 H1' U B 214 -47.445 0.330 0.579 1.00 0.00 H new ATOM 0 H3 U B 214 -47.293 2.061 -3.394 1.00 0.00 H new ATOM 0 H5 U B 214 -43.633 -0.035 -3.171 1.00 0.00 H new ATOM 0 H6 U B 214 -44.209 -0.609 -0.904 1.00 0.00 H new ATOM 1337 P A B 215 -47.243 -1.177 3.779 1.00 0.00 P ATOM 1338 OP1 A B 215 -48.098 -2.200 4.420 1.00 0.00 O ATOM 1339 OP2 A B 215 -47.863 -0.321 2.742 1.00 0.00 O ATOM 1340 O5' A B 215 -46.666 -0.224 4.926 1.00 0.00 O ATOM 1341 C5' A B 215 -47.196 -0.297 6.248 1.00 0.00 C ATOM 1342 C4' A B 215 -48.178 0.830 6.477 1.00 0.00 C ATOM 1343 O4' A B 215 -48.208 2.263 6.451 1.00 0.00 O ATOM 1344 C3' A B 215 -49.644 0.410 6.423 1.00 0.00 C ATOM 1345 O3' A B 215 -49.934 -0.441 7.529 1.00 0.00 O ATOM 1346 C2' A B 215 -50.427 1.692 6.493 1.00 0.00 C ATOM 1347 O2' A B 215 -50.646 1.846 7.877 1.00 0.00 O ATOM 1348 C1' A B 215 -49.430 2.668 5.873 1.00 0.00 C ATOM 1349 N9 A B 215 -49.373 2.596 4.398 1.00 0.00 N ATOM 1350 C8 A B 215 -48.467 1.939 3.644 1.00 0.00 C ATOM 1351 N7 A B 215 -48.693 2.071 2.341 1.00 0.00 N ATOM 1352 C5 A B 215 -49.810 2.860 2.279 1.00 0.00 C ATOM 1353 C6 A B 215 -50.544 3.357 1.182 1.00 0.00 C ATOM 1354 N6 A B 215 -50.241 3.114 -0.121 1.00 0.00 N ATOM 1355 N1 A B 215 -51.630 4.132 1.453 1.00 0.00 N ATOM 1356 C2 A B 215 -51.939 4.378 2.745 1.00 0.00 C ATOM 1357 N3 A B 215 -51.316 3.960 3.862 1.00 0.00 N ATOM 1358 C4 A B 215 -50.242 3.193 3.524 1.00 0.00 C ATOM 0 H5' A B 215 -46.387 -0.238 6.976 1.00 0.00 H new ATOM 0 H5'' A B 215 -47.691 -1.257 6.397 1.00 0.00 H new ATOM 0 H4' A B 215 -47.252 0.888 7.048 1.00 0.00 H new ATOM 0 H3' A B 215 -49.893 -0.148 5.521 1.00 0.00 H new ATOM 0 H2' A B 215 -51.390 1.790 5.992 1.00 0.00 H new ATOM 0 HO2' A B 215 -50.582 0.973 8.317 1.00 0.00 H new ATOM 0 H1' A B 215 -49.698 3.707 6.067 1.00 0.00 H new ATOM 0 H8 A B 215 -47.647 1.368 4.055 1.00 0.00 H new ATOM 0 H61 A B 215 -50.821 3.509 -0.862 1.00 0.00 H new ATOM 0 H62 A B 215 -49.434 2.537 -0.358 1.00 0.00 H new ATOM 0 H2 A B 215 -52.809 4.998 2.904 1.00 0.00 H new ATOM 1370 P C B 216 -50.620 -1.866 7.284 1.00 0.00 P ATOM 1371 OP1 C B 216 -51.226 -2.351 8.544 1.00 0.00 O ATOM 1372 OP2 C B 216 -49.667 -2.765 6.594 1.00 0.00 O ATOM 1373 O5' C B 216 -51.804 -1.525 6.263 1.00 0.00 O ATOM 1374 C5' C B 216 -52.764 -0.524 6.595 1.00 0.00 C ATOM 1375 C4' C B 216 -53.273 0.144 5.338 1.00 0.00 C ATOM 1376 O4' C B 216 -52.867 0.794 4.564 1.00 0.00 O ATOM 1377 C3' C B 216 -54.583 -0.430 4.805 1.00 0.00 C ATOM 1378 O3' C B 216 -55.674 0.113 5.546 1.00 0.00 O ATOM 1379 C2' C B 216 -54.638 -0.019 3.360 1.00 0.00 C ATOM 1380 O2' C B 216 -55.801 0.775 3.307 1.00 0.00 O ATOM 1381 C1' C B 216 -53.320 0.739 3.230 1.00 0.00 C ATOM 1382 N1 C B 216 -52.336 0.064 2.359 1.00 0.00 N ATOM 1383 C2 C B 216 -52.325 0.405 1.007 1.00 0.00 C ATOM 1384 O2 C B 216 -53.133 1.249 0.603 1.00 0.00 O ATOM 1385 N3 C B 216 -51.438 -0.195 0.194 1.00 0.00 N ATOM 1386 C4 C B 216 -50.583 -1.094 0.641 1.00 0.00 C ATOM 1387 N4 C B 216 -49.715 -1.676 -0.177 1.00 0.00 N ATOM 1388 C5 C B 216 -50.573 -1.465 2.038 1.00 0.00 C ATOM 1389 C6 C B 216 -51.463 -0.857 2.835 1.00 0.00 C ATOM 0 H5' C B 216 -52.314 0.218 7.254 1.00 0.00 H new ATOM 0 H5'' C B 216 -53.595 -0.972 7.140 1.00 0.00 H new ATOM 0 H4' C B 216 -52.811 0.831 6.047 1.00 0.00 H new ATOM 0 H3' C B 216 -54.643 -1.514 4.902 1.00 0.00 H new ATOM 0 H2' C B 216 -54.709 -0.763 2.567 1.00 0.00 H new ATOM 0 HO2' C B 216 -55.947 1.199 4.178 1.00 0.00 H new ATOM 0 H1' C B 216 -53.452 1.713 2.759 1.00 0.00 H new ATOM 0 H41 C B 216 -49.060 -2.370 0.184 1.00 0.00 H new ATOM 0 H42 C B 216 -49.703 -1.430 -1.167 1.00 0.00 H new ATOM 0 H5 C B 216 -49.880 -2.199 2.422 1.00 0.00 H new ATOM 0 H6 C B 216 -51.485 -1.108 3.885 1.00 0.00 H new ATOM 1401 P G B 217 -57.056 -0.688 5.638 1.00 0.00 P ATOM 1402 OP1 G B 217 -58.122 0.212 6.130 1.00 0.00 O ATOM 1403 OP2 G B 217 -56.848 -1.961 6.363 1.00 0.00 O ATOM 1404 O5' G B 217 -57.372 -1.037 4.108 1.00 0.00 O ATOM 1405 C5' G B 217 -58.434 -0.371 3.429 1.00 0.00 C ATOM 1406 C4' G B 217 -58.751 -1.083 2.134 1.00 0.00 C ATOM 1407 O4' G B 217 -58.058 -1.095 1.208 1.00 0.00 O ATOM 1408 C3' G B 217 -59.254 -2.513 2.308 1.00 0.00 C ATOM 1409 O3' G B 217 -60.665 -2.497 2.525 1.00 0.00 O ATOM 1410 C2' G B 217 -58.901 -3.217 1.027 1.00 0.00 C ATOM 1411 O2' G B 217 -60.128 -3.227 0.330 1.00 0.00 O ATOM 1412 C1' G B 217 -57.838 -2.276 0.469 1.00 0.00 C ATOM 1413 N9 G B 217 -56.458 -2.771 0.653 1.00 0.00 N ATOM 1414 C8 G B 217 -55.731 -2.770 1.790 1.00 0.00 C ATOM 1415 N7 G B 217 -54.518 -3.287 1.624 1.00 0.00 N ATOM 1416 C5 G B 217 -54.486 -3.633 0.300 1.00 0.00 C ATOM 1417 C6 G B 217 -53.478 -4.227 -0.488 1.00 0.00 C ATOM 1418 O6 G B 217 -52.364 -4.563 -0.085 1.00 0.00 O ATOM 1419 N1 G B 217 -53.757 -4.447 -1.801 1.00 0.00 N ATOM 1420 C2 G B 217 -54.973 -4.089 -2.272 1.00 0.00 C ATOM 1421 N2 G B 217 -55.091 -4.368 -3.567 1.00 0.00 N ATOM 1422 N3 G B 217 -56.002 -3.520 -1.616 1.00 0.00 N ATOM 1423 C4 G B 217 -55.660 -3.326 -0.312 1.00 0.00 C ATOM 0 H5' G B 217 -58.154 0.663 3.225 1.00 0.00 H new ATOM 0 H5'' G B 217 -59.320 -0.342 4.063 1.00 0.00 H new ATOM 0 H4' G B 217 -59.501 -0.338 1.868 1.00 0.00 H new ATOM 0 H3' G B 217 -58.808 -3.018 3.165 1.00 0.00 H new ATOM 0 H2' G B 217 -58.516 -4.237 1.034 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.764 -2.630 0.778 1.00 0.00 H new ATOM 0 H1' G B 217 -57.924 -2.154 -0.611 1.00 0.00 H new ATOM 0 H8 G B 217 -56.096 -2.390 2.733 1.00 0.00 H new ATOM 0 H1 G B 217 -53.064 -4.873 -2.417 1.00 0.00 H new ATOM 0 H21 G B 217 -55.958 -4.152 -4.058 1.00 0.00 H new ATOM 0 H22 G B 217 -54.314 -4.798 -4.069 1.00 0.00 H new ATOM 1435 P C B 218 -61.371 -3.715 3.284 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.841 -3.594 3.160 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.809 -3.846 4.647 1.00 0.00 O ATOM 1438 O5' C B 218 -60.906 -4.987 2.433 1.00 0.00 O ATOM 1439 C5' C B 218 -61.779 -5.549 1.456 1.00 0.00 C ATOM 1440 C4' C B 218 -60.996 -6.415 0.495 1.00 0.00 C ATOM 1441 O4' C B 218 -59.801 -6.018 -0.030 1.00 0.00 O ATOM 1442 C3' C B 218 -60.509 -7.734 1.088 1.00 0.00 C ATOM 1443 O3' C B 218 -61.622 -8.604 1.285 1.00 0.00 O ATOM 1444 C2' C B 218 -59.545 -8.292 0.077 1.00 0.00 C ATOM 1445 O2' C B 218 -60.399 -8.925 -0.849 1.00 0.00 O ATOM 1446 C1' C B 218 -58.878 -7.012 -0.415 1.00 0.00 C ATOM 1447 N1 C B 218 -57.550 -6.770 0.188 1.00 0.00 N ATOM 1448 C2 C B 218 -56.426 -7.080 -0.575 1.00 0.00 C ATOM 1449 O2 C B 218 -56.589 -7.539 -1.711 1.00 0.00 O ATOM 1450 N3 C B 218 -55.206 -6.869 -0.047 1.00 0.00 N ATOM 1451 C4 C B 218 -55.050 -6.378 1.166 1.00 0.00 C ATOM 1452 N4 C B 218 -53.838 -6.177 1.669 1.00 0.00 N ATOM 1453 C5 C B 218 -56.199 -6.048 1.978 1.00 0.00 C ATOM 1454 C6 C B 218 -57.408 -6.264 1.438 1.00 0.00 C ATOM 0 H5' C B 218 -62.286 -4.754 0.910 1.00 0.00 H new ATOM 0 H5'' C B 218 -62.551 -6.142 1.946 1.00 0.00 H new ATOM 0 H4' C B 218 -61.789 -6.414 -0.253 1.00 0.00 H new ATOM 0 H3' C B 218 -60.027 -7.612 2.058 1.00 0.00 H new ATOM 0 H2' C B 218 -58.780 -9.012 0.368 1.00 0.00 H new ATOM 0 HO2' C B 218 -60.116 -9.855 -0.972 1.00 0.00 H new ATOM 0 H1' C B 218 -58.671 -7.043 -1.485 1.00 0.00 H new ATOM 0 H41 C B 218 -53.733 -5.796 2.609 1.00 0.00 H new ATOM 0 H42 C B 218 -53.012 -6.403 1.115 1.00 0.00 H new ATOM 0 H5 C B 218 -56.089 -5.646 2.974 1.00 0.00 H new ATOM 0 H6 C B 218 -58.291 -6.029 2.014 1.00 0.00 H new ATOM 1466 P C B 219 -61.720 -9.488 2.615 1.00 0.00 P ATOM 1467 OP1 C B 219 -63.137 -9.619 3.023 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.764 -8.979 3.624 1.00 0.00 O ATOM 1469 O5' C B 219 -61.210 -10.925 2.131 1.00 0.00 O ATOM 1470 C5' C B 219 -61.469 -11.362 0.798 1.00 0.00 C ATOM 1471 C4' C B 219 -60.284 -12.137 0.266 1.00 0.00 C ATOM 1472 O4' C B 219 -59.174 -11.438 -0.208 1.00 0.00 O ATOM 1473 C3' C B 219 -59.539 -12.951 1.320 1.00 0.00 C ATOM 1474 O3' C B 219 -60.315 -14.110 1.659 1.00 0.00 O ATOM 1475 C2' C B 219 -58.232 -13.327 0.679 1.00 0.00 C ATOM 1476 O2' C B 219 -58.587 -14.433 -0.121 1.00 0.00 O ATOM 1477 C1' C B 219 -57.908 -12.045 -0.081 1.00 0.00 C ATOM 1478 N1 C B 219 -56.960 -11.162 0.630 1.00 0.00 N ATOM 1479 C2 C B 219 -55.636 -11.149 0.195 1.00 0.00 C ATOM 1480 O2 C B 219 -55.318 -11.870 -0.757 1.00 0.00 O ATOM 1481 N3 C B 219 -54.754 -10.353 0.827 1.00 0.00 N ATOM 1482 C4 C B 219 -55.110 -9.589 1.841 1.00 0.00 C ATOM 1483 N4 C B 219 -54.225 -8.811 2.451 1.00 0.00 N ATOM 1484 C5 C B 219 -56.476 -9.585 2.311 1.00 0.00 C ATOM 1485 C6 C B 219 -57.344 -10.384 1.671 1.00 0.00 C ATOM 0 H5' C B 219 -61.669 -10.503 0.158 1.00 0.00 H new ATOM 0 H5'' C B 219 -62.361 -11.988 0.779 1.00 0.00 H new ATOM 0 H4' C B 219 -60.837 -12.667 -0.510 1.00 0.00 H new ATOM 0 H3' C B 219 -59.371 -12.400 2.246 1.00 0.00 H new ATOM 0 H2' C B 219 -57.373 -13.617 1.284 1.00 0.00 H new ATOM 0 HO2' C B 219 -59.409 -14.837 0.226 1.00 0.00 H new ATOM 0 HO3' C B 219 -59.839 -14.636 2.335 1.00 0.00 H new ATOM 0 H1' C B 219 -57.408 -12.245 -1.029 1.00 0.00 H new ATOM 0 H41 C B 219 -54.515 -8.225 3.234 1.00 0.00 H new ATOM 0 H42 C B 219 -53.255 -8.799 2.137 1.00 0.00 H new ATOM 0 H5 C B 219 -56.785 -8.966 3.141 1.00 0.00 H new ATOM 0 H6 C B 219 -58.374 -10.407 1.994 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.982 11.363 6.466 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -53.500 28.408 2.301 1.00 0.00 ZN