USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 872 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 Set 1.1: A 27 SER OG : rot 58:sc= 0.62 USER MOD Set 1.2: B 27 SER OG : rot 180:sc= 0.554 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -4.58! C(o=-4.6!,f=-7.4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 25 SER OG : rot 180:sc= -2.14! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 29:sc= 0.808 USER MOD Single : A 43 THR OG1 : rot 180:sc= -5.09! USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -0.234 (180deg=-1.01) USER MOD Single : A 48 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -3.19! USER MOD Single : A 60 GLN : amide:sc= -10.8! C(o=-11!,f=-20!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -4.58! C(o=-4.6!,f=-7.4!) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : B 25 SER OG : rot 180:sc= -2.16! USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 THR OG1 : rot 27:sc= 0.821 USER MOD Single : B 43 THR OG1 : rot -172:sc= -5.03! USER MOD Single : B 45 LYS NZ :NH3+ -147:sc= -0.237 (180deg=-1) USER MOD Single : B 48 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.14) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 CYS SG : rot 180:sc= -3.22! USER MOD Single : B 60 GLN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.5!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.798 -5.710 3.719 1.00 0.00 N ATOM 178 CA LYS A 13 15.504 -6.393 2.428 1.00 0.00 C ATOM 179 C LYS A 13 14.002 -6.331 2.139 1.00 0.00 C ATOM 180 O LYS A 13 13.224 -5.869 2.950 1.00 0.00 O ATOM 181 CB LYS A 13 15.950 -7.843 2.629 1.00 0.00 C ATOM 182 CG LYS A 13 15.767 -8.244 4.095 1.00 0.00 C ATOM 183 CD LYS A 13 15.634 -9.766 4.196 1.00 0.00 C ATOM 184 CE LYS A 13 14.156 -10.144 4.321 1.00 0.00 C ATOM 185 NZ LYS A 13 13.885 -10.151 5.785 1.00 0.00 N ATOM 0 HA LYS A 13 16.016 -5.926 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.369 -8.504 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.995 -7.955 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.618 -7.903 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.880 -7.763 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.068 -10.239 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.188 -10.133 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.519 -9.425 3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.959 -11.120 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.890 -10.402 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.501 -10.849 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.075 -9.207 6.178 1.00 0.00 H new ATOM 199 N THR A 14 13.586 -6.792 0.992 1.00 0.00 N ATOM 200 CA THR A 14 12.140 -6.757 0.655 1.00 0.00 C ATOM 201 C THR A 14 11.801 -7.882 -0.325 1.00 0.00 C ATOM 202 O THR A 14 12.659 -8.391 -1.019 1.00 0.00 O ATOM 203 CB THR A 14 11.924 -5.398 -0.001 1.00 0.00 C ATOM 204 OG1 THR A 14 13.172 -4.887 -0.451 1.00 0.00 O ATOM 205 CG2 THR A 14 11.306 -4.431 1.009 1.00 0.00 C ATOM 0 H THR A 14 14.189 -7.192 0.273 1.00 0.00 H new ATOM 0 HA THR A 14 11.506 -6.895 1.531 1.00 0.00 H new ATOM 0 HB THR A 14 11.249 -5.508 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.034 -4.014 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.153 -3.461 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.348 -4.824 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.976 -4.318 1.861 1.00 0.00 H new ATOM 213 N LEU A 15 10.559 -8.276 -0.387 1.00 0.00 N ATOM 214 CA LEU A 15 10.172 -9.366 -1.319 1.00 0.00 C ATOM 215 C LEU A 15 9.448 -8.792 -2.536 1.00 0.00 C ATOM 216 O LEU A 15 8.763 -7.794 -2.441 1.00 0.00 O ATOM 217 CB LEU A 15 9.231 -10.250 -0.510 1.00 0.00 C ATOM 218 CG LEU A 15 10.010 -10.898 0.633 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.596 -10.261 1.960 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.706 -12.396 0.668 1.00 0.00 C ATOM 0 H LEU A 15 9.797 -7.888 0.169 1.00 0.00 H new ATOM 0 HA LEU A 15 11.035 -9.916 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.406 -9.657 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.794 -11.017 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 15 11.078 -10.746 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.152 -10.724 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.812 -9.193 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.528 -10.411 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.261 -12.861 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.638 -12.547 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.002 -12.850 -0.278 1.00 0.00 H new ATOM 232 N PRO A 16 9.624 -9.453 -3.643 1.00 0.00 N ATOM 233 CA PRO A 16 8.983 -9.021 -4.898 1.00 0.00 C ATOM 234 C PRO A 16 7.549 -9.549 -4.953 1.00 0.00 C ATOM 235 O PRO A 16 6.758 -9.147 -5.780 1.00 0.00 O ATOM 236 CB PRO A 16 9.839 -9.680 -5.973 1.00 0.00 C ATOM 237 CG PRO A 16 10.459 -10.877 -5.317 1.00 0.00 C ATOM 238 CD PRO A 16 10.434 -10.658 -3.824 1.00 0.00 C ATOM 0 HA PRO A 16 8.924 -7.938 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.234 -9.973 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.603 -8.995 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.910 -11.782 -5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.483 -11.014 -5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.997 -11.511 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.440 -10.524 -3.426 1.00 0.00 H new ATOM 246 N ARG A 17 7.220 -10.459 -4.079 1.00 0.00 N ATOM 247 CA ARG A 17 5.850 -11.035 -4.079 1.00 0.00 C ATOM 248 C ARG A 17 5.678 -11.954 -2.868 1.00 0.00 C ATOM 249 O ARG A 17 5.643 -13.163 -2.992 1.00 0.00 O ATOM 250 CB ARG A 17 5.775 -11.835 -5.377 1.00 0.00 C ATOM 251 CG ARG A 17 4.503 -12.680 -5.382 1.00 0.00 C ATOM 252 CD ARG A 17 4.787 -14.028 -6.046 1.00 0.00 C ATOM 253 NE ARG A 17 3.520 -14.386 -6.743 1.00 0.00 N ATOM 254 CZ ARG A 17 3.559 -15.021 -7.883 1.00 0.00 C ATOM 255 NH1 ARG A 17 4.599 -15.748 -8.191 1.00 0.00 N ATOM 256 NH2 ARG A 17 2.559 -14.929 -8.715 1.00 0.00 N ATOM 0 H ARG A 17 7.845 -10.829 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 17 5.069 -10.277 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.779 -11.160 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.651 -12.477 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.151 -12.832 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.710 -12.159 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.617 -13.955 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.059 -14.783 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 17 2.622 -14.135 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.382 -15.820 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.629 -16.244 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.747 -14.361 -8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.589 -15.425 -9.606 1.00 0.00 H new ATOM 270 N VAL A 18 5.569 -11.388 -1.700 1.00 0.00 N ATOM 271 CA VAL A 18 5.390 -12.230 -0.474 1.00 0.00 C ATOM 272 C VAL A 18 4.289 -13.257 -0.718 1.00 0.00 C ATOM 273 O VAL A 18 3.757 -13.343 -1.802 1.00 0.00 O ATOM 274 CB VAL A 18 4.979 -11.250 0.625 1.00 0.00 C ATOM 275 CG1 VAL A 18 5.155 -11.916 1.986 1.00 0.00 C ATOM 276 CG2 VAL A 18 5.860 -10.001 0.558 1.00 0.00 C ATOM 0 H VAL A 18 5.595 -10.382 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 18 6.293 -12.779 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 18 3.936 -10.966 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.863 -11.220 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.529 -12.807 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.199 -12.198 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.564 -9.305 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.903 -10.284 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.741 -9.523 -0.415 1.00 0.00 H new ATOM 286 N ASP A 19 3.927 -14.027 0.275 1.00 0.00 N ATOM 287 CA ASP A 19 2.842 -15.021 0.073 1.00 0.00 C ATOM 288 C ASP A 19 1.651 -14.286 -0.540 1.00 0.00 C ATOM 289 O ASP A 19 0.625 -14.083 0.079 1.00 0.00 O ATOM 290 CB ASP A 19 2.533 -15.535 1.473 1.00 0.00 C ATOM 291 CG ASP A 19 1.541 -16.695 1.393 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.046 -16.951 0.308 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.294 -17.309 2.418 1.00 0.00 O ATOM 0 H ASP A 19 4.335 -14.008 1.210 1.00 0.00 H new ATOM 0 HA ASP A 19 3.098 -15.847 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.451 -15.863 1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.118 -14.732 2.082 1.00 0.00 H new ATOM 298 N PHE A 20 1.831 -13.848 -1.748 1.00 0.00 N ATOM 299 CA PHE A 20 0.796 -13.065 -2.466 1.00 0.00 C ATOM 300 C PHE A 20 -0.624 -13.502 -2.138 1.00 0.00 C ATOM 301 O PHE A 20 -1.338 -12.827 -1.426 1.00 0.00 O ATOM 302 CB PHE A 20 1.099 -13.304 -3.937 1.00 0.00 C ATOM 303 CG PHE A 20 1.025 -11.987 -4.639 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.121 -11.122 -4.612 1.00 0.00 C ATOM 305 CD2 PHE A 20 -0.148 -11.621 -5.293 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.041 -9.883 -5.245 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.232 -10.388 -5.928 1.00 0.00 C ATOM 308 CZ PHE A 20 0.866 -9.512 -5.903 1.00 0.00 C ATOM 0 H PHE A 20 2.683 -14.006 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 20 0.835 -12.015 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.089 -13.745 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.383 -14.006 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.028 -11.412 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.992 -12.295 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.886 -9.211 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.140 -10.104 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.802 -8.552 -6.393 1.00 0.00 H new ATOM 318 N LYS A 21 -1.058 -14.596 -2.678 1.00 0.00 N ATOM 319 CA LYS A 21 -2.451 -15.031 -2.418 1.00 0.00 C ATOM 320 C LYS A 21 -2.811 -14.798 -0.946 1.00 0.00 C ATOM 321 O LYS A 21 -3.965 -14.647 -0.596 1.00 0.00 O ATOM 322 CB LYS A 21 -2.484 -16.520 -2.758 1.00 0.00 C ATOM 323 CG LYS A 21 -3.479 -16.762 -3.895 1.00 0.00 C ATOM 324 CD LYS A 21 -3.672 -18.267 -4.095 1.00 0.00 C ATOM 325 CE LYS A 21 -2.938 -18.713 -5.361 1.00 0.00 C ATOM 326 NZ LYS A 21 -3.288 -20.151 -5.522 1.00 0.00 N ATOM 0 H LYS A 21 -0.513 -15.207 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.173 -14.471 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.491 -16.859 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.771 -17.098 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.434 -16.290 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.113 -16.306 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.291 -18.811 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.734 -18.500 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.254 -18.130 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.861 -18.578 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.821 -20.529 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.969 -20.682 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.319 -20.248 -5.621 1.00 0.00 H new ATOM 340 N ASN A 22 -1.832 -14.763 -0.081 1.00 0.00 N ATOM 341 CA ASN A 22 -2.118 -14.535 1.361 1.00 0.00 C ATOM 342 C ASN A 22 -2.100 -13.042 1.680 1.00 0.00 C ATOM 343 O ASN A 22 -2.737 -12.589 2.609 1.00 0.00 O ATOM 344 CB ASN A 22 -0.985 -15.235 2.095 1.00 0.00 C ATOM 345 CG ASN A 22 -1.561 -16.156 3.172 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.685 -16.607 3.066 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.834 -16.455 4.215 1.00 0.00 N ATOM 0 H ASN A 22 -0.846 -14.883 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.100 -14.912 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.385 -15.812 1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.323 -14.498 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.209 -17.067 4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.109 -16.077 4.305 1.00 0.00 H new ATOM 354 N ILE A 23 -1.359 -12.277 0.925 1.00 0.00 N ATOM 355 CA ILE A 23 -1.283 -10.814 1.193 1.00 0.00 C ATOM 356 C ILE A 23 -2.643 -10.290 1.666 1.00 0.00 C ATOM 357 O ILE A 23 -3.586 -10.190 0.907 1.00 0.00 O ATOM 358 CB ILE A 23 -0.861 -10.184 -0.142 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.500 -9.505 0.031 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.889 -9.141 -0.589 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.561 -10.560 0.342 1.00 0.00 C ATOM 0 H ILE A 23 -0.803 -12.603 0.134 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.574 -10.568 1.984 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.798 -10.966 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.766 -8.963 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.453 -8.773 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.575 -8.704 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.861 -9.618 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.964 -8.357 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.530 -10.076 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.297 -11.082 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.614 -11.275 -0.479 1.00 0.00 H new ATOM 373 N GLN A 24 -2.745 -9.960 2.923 1.00 0.00 N ATOM 374 CA GLN A 24 -4.041 -9.444 3.461 1.00 0.00 C ATOM 375 C GLN A 24 -4.020 -7.916 3.515 1.00 0.00 C ATOM 376 O GLN A 24 -5.040 -7.275 3.670 1.00 0.00 O ATOM 377 CB GLN A 24 -4.147 -10.030 4.869 1.00 0.00 C ATOM 378 CG GLN A 24 -5.618 -10.110 5.282 1.00 0.00 C ATOM 379 CD GLN A 24 -5.899 -9.075 6.374 1.00 0.00 C ATOM 380 OE1 GLN A 24 -6.390 -7.999 6.096 1.00 0.00 O ATOM 381 NE2 GLN A 24 -5.607 -9.357 7.614 1.00 0.00 N ATOM 0 H GLN A 24 -1.988 -10.024 3.604 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.889 -9.727 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.697 -11.022 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.594 -9.410 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.259 -9.928 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.851 -11.111 5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.195 -10.260 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.791 -8.674 8.349 1.00 0.00 H new ATOM 390 N SER A 25 -2.866 -7.330 3.381 1.00 0.00 N ATOM 391 CA SER A 25 -2.774 -5.844 3.414 1.00 0.00 C ATOM 392 C SER A 25 -1.418 -5.406 2.862 1.00 0.00 C ATOM 393 O SER A 25 -0.391 -5.932 3.233 1.00 0.00 O ATOM 394 CB SER A 25 -2.902 -5.468 4.890 1.00 0.00 C ATOM 395 OG SER A 25 -2.643 -6.612 5.691 1.00 0.00 O ATOM 0 H SER A 25 -1.979 -7.816 3.250 1.00 0.00 H new ATOM 0 HA SER A 25 -3.543 -5.362 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.200 -4.671 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.902 -5.086 5.094 1.00 0.00 H new ATOM 0 HG SER A 25 -2.723 -6.373 6.638 1.00 0.00 H new ATOM 401 N LEU A 26 -1.400 -4.457 1.974 1.00 0.00 N ATOM 402 CA LEU A 26 -0.098 -4.011 1.404 1.00 0.00 C ATOM 403 C LEU A 26 0.172 -2.551 1.761 1.00 0.00 C ATOM 404 O LEU A 26 -0.727 -1.740 1.819 1.00 0.00 O ATOM 405 CB LEU A 26 -0.251 -4.177 -0.107 1.00 0.00 C ATOM 406 CG LEU A 26 0.945 -4.956 -0.655 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.037 -4.756 -2.169 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.226 -4.442 0.005 1.00 0.00 C ATOM 0 H LEU A 26 -2.224 -3.972 1.618 1.00 0.00 H new ATOM 0 HA LEU A 26 0.740 -4.587 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.178 -4.704 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.314 -3.200 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 26 0.820 -6.017 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.890 -5.312 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.123 -5.117 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.164 -3.696 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.082 -4.995 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.349 -3.382 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.161 -4.583 1.084 1.00 0.00 H new ATOM 420 N SER A 27 1.410 -2.212 1.998 1.00 0.00 N ATOM 421 CA SER A 27 1.742 -0.805 2.348 1.00 0.00 C ATOM 422 C SER A 27 2.863 -0.287 1.442 1.00 0.00 C ATOM 423 O SER A 27 3.695 -1.040 0.981 1.00 0.00 O ATOM 424 CB SER A 27 2.205 -0.860 3.801 1.00 0.00 C ATOM 425 OG SER A 27 1.486 0.101 4.562 1.00 0.00 O ATOM 0 H SER A 27 2.205 -2.850 1.964 1.00 0.00 H new ATOM 0 HA SER A 27 0.894 -0.133 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.043 -1.858 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.275 -0.661 3.861 1.00 0.00 H new ATOM 0 HG SER A 27 0.525 -0.076 4.489 1.00 0.00 H new ATOM 431 N VAL A 28 2.889 0.989 1.179 1.00 0.00 N ATOM 432 CA VAL A 28 3.957 1.541 0.298 1.00 0.00 C ATOM 433 C VAL A 28 4.522 2.836 0.890 1.00 0.00 C ATOM 434 O VAL A 28 3.863 3.856 0.923 1.00 0.00 O ATOM 435 CB VAL A 28 3.264 1.817 -1.036 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.120 2.769 -1.873 1.00 0.00 C ATOM 437 CG2 VAL A 28 3.079 0.500 -1.794 1.00 0.00 C ATOM 0 H VAL A 28 2.220 1.672 1.534 1.00 0.00 H new ATOM 0 HA VAL A 28 4.796 0.854 0.188 1.00 0.00 H new ATOM 0 HB VAL A 28 2.291 2.273 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.624 2.964 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.254 3.707 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.094 2.315 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.585 0.694 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.053 0.046 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.467 -0.179 -1.200 1.00 0.00 H new ATOM 447 N THR A 29 5.744 2.804 1.348 1.00 0.00 N ATOM 448 CA THR A 29 6.359 4.032 1.929 1.00 0.00 C ATOM 449 C THR A 29 7.565 4.447 1.086 1.00 0.00 C ATOM 450 O THR A 29 8.330 3.614 0.646 1.00 0.00 O ATOM 451 CB THR A 29 6.798 3.629 3.338 1.00 0.00 C ATOM 452 OG1 THR A 29 7.396 4.745 3.983 1.00 0.00 O ATOM 453 CG2 THR A 29 7.809 2.485 3.252 1.00 0.00 C ATOM 0 H THR A 29 6.344 1.979 1.345 1.00 0.00 H new ATOM 0 HA THR A 29 5.671 4.877 1.950 1.00 0.00 H new ATOM 0 HB THR A 29 5.930 3.301 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.676 4.489 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.121 2.199 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.349 1.629 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.679 2.810 2.681 1.00 0.00 H new ATOM 461 N PRO A 30 7.687 5.727 0.883 1.00 0.00 N ATOM 462 CA PRO A 30 8.807 6.268 0.073 1.00 0.00 C ATOM 463 C PRO A 30 10.143 6.106 0.804 1.00 0.00 C ATOM 464 O PRO A 30 10.190 5.644 1.927 1.00 0.00 O ATOM 465 CB PRO A 30 8.445 7.742 -0.092 1.00 0.00 C ATOM 466 CG PRO A 30 7.557 8.051 1.070 1.00 0.00 C ATOM 467 CD PRO A 30 6.804 6.785 1.384 1.00 0.00 C ATOM 0 HA PRO A 30 8.931 5.753 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.335 8.371 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.934 7.920 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.143 8.377 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.869 8.861 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.621 6.682 2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.832 6.763 0.891 1.00 0.00 H new ATOM 475 N PRO A 31 11.192 6.491 0.125 1.00 0.00 N ATOM 476 CA PRO A 31 12.558 6.389 0.697 1.00 0.00 C ATOM 477 C PRO A 31 12.768 7.419 1.809 1.00 0.00 C ATOM 478 O PRO A 31 11.827 7.947 2.368 1.00 0.00 O ATOM 479 CB PRO A 31 13.466 6.688 -0.494 1.00 0.00 C ATOM 480 CG PRO A 31 12.626 7.500 -1.426 1.00 0.00 C ATOM 481 CD PRO A 31 11.200 7.056 -1.230 1.00 0.00 C ATOM 0 HA PRO A 31 12.753 5.418 1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.355 7.237 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.808 5.769 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.732 8.564 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.939 7.349 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.505 7.891 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.906 6.316 -1.974 1.00 0.00 H new ATOM 564 N THR A 38 12.415 3.541 -2.117 1.00 0.00 N ATOM 565 CA THR A 38 10.983 3.231 -1.843 1.00 0.00 C ATOM 566 C THR A 38 10.859 1.824 -1.258 1.00 0.00 C ATOM 567 O THR A 38 11.499 0.895 -1.709 1.00 0.00 O ATOM 568 CB THR A 38 10.284 3.307 -3.202 1.00 0.00 C ATOM 569 OG1 THR A 38 11.239 3.603 -4.211 1.00 0.00 O ATOM 570 CG2 THR A 38 9.214 4.400 -3.170 1.00 0.00 C ATOM 0 HA THR A 38 10.542 3.922 -1.124 1.00 0.00 H new ATOM 0 HB THR A 38 9.812 2.349 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.114 3.251 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.718 4.452 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.480 4.168 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.681 5.360 -2.950 1.00 0.00 H new ATOM 578 N GLU A 39 10.041 1.658 -0.256 1.00 0.00 N ATOM 579 CA GLU A 39 9.883 0.309 0.355 1.00 0.00 C ATOM 580 C GLU A 39 8.402 -0.020 0.543 1.00 0.00 C ATOM 581 O GLU A 39 7.571 0.858 0.657 1.00 0.00 O ATOM 582 CB GLU A 39 10.582 0.404 1.707 1.00 0.00 C ATOM 583 CG GLU A 39 11.139 -0.967 2.077 1.00 0.00 C ATOM 584 CD GLU A 39 12.526 -0.807 2.702 1.00 0.00 C ATOM 585 OE1 GLU A 39 13.357 -0.154 2.093 1.00 0.00 O ATOM 586 OE2 GLU A 39 12.734 -1.342 3.779 1.00 0.00 O ATOM 0 H GLU A 39 9.477 2.396 0.165 1.00 0.00 H new ATOM 0 HA GLU A 39 10.305 -0.477 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.387 1.138 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.881 0.744 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.469 -1.466 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.200 -1.597 1.190 1.00 0.00 H new ATOM 593 N VAL A 40 8.063 -1.281 0.577 1.00 0.00 N ATOM 594 CA VAL A 40 6.633 -1.657 0.756 1.00 0.00 C ATOM 595 C VAL A 40 6.463 -2.561 1.981 1.00 0.00 C ATOM 596 O VAL A 40 7.394 -3.195 2.435 1.00 0.00 O ATOM 597 CB VAL A 40 6.266 -2.413 -0.522 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.801 -2.851 -0.464 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.474 -1.497 -1.726 1.00 0.00 C ATOM 0 H VAL A 40 8.712 -2.063 0.489 1.00 0.00 H new ATOM 0 HA VAL A 40 5.996 -0.787 0.919 1.00 0.00 H new ATOM 0 HB VAL A 40 6.900 -3.295 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.546 -3.389 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.650 -3.504 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.162 -1.973 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.214 -2.032 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.839 -0.617 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.518 -1.188 -1.772 1.00 0.00 H new ATOM 609 N ILE A 41 5.273 -2.628 2.509 1.00 0.00 N ATOM 610 CA ILE A 41 5.021 -3.500 3.692 1.00 0.00 C ATOM 611 C ILE A 41 3.745 -4.304 3.450 1.00 0.00 C ATOM 612 O ILE A 41 2.657 -3.765 3.410 1.00 0.00 O ATOM 613 CB ILE A 41 4.850 -2.546 4.878 1.00 0.00 C ATOM 614 CG1 ILE A 41 5.763 -1.330 4.700 1.00 0.00 C ATOM 615 CG2 ILE A 41 5.220 -3.272 6.172 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.222 -1.790 4.656 1.00 0.00 C ATOM 0 H ILE A 41 4.459 -2.114 2.171 1.00 0.00 H new ATOM 0 HA ILE A 41 5.829 -4.208 3.876 1.00 0.00 H new ATOM 0 HB ILE A 41 3.813 -2.215 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.509 -0.802 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.616 -0.628 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.099 -2.594 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.569 -4.136 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.257 -3.604 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.873 -0.925 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.471 -2.298 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.362 -2.475 3.820 1.00 0.00 H new ATOM 628 N ALA A 42 3.872 -5.586 3.259 1.00 0.00 N ATOM 629 CA ALA A 42 2.669 -6.417 2.984 1.00 0.00 C ATOM 630 C ALA A 42 2.459 -7.476 4.067 1.00 0.00 C ATOM 631 O ALA A 42 3.390 -8.105 4.529 1.00 0.00 O ATOM 632 CB ALA A 42 2.975 -7.085 1.647 1.00 0.00 C ATOM 0 H ALA A 42 4.756 -6.094 3.281 1.00 0.00 H new ATOM 0 HA ALA A 42 1.758 -5.819 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.139 -7.723 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.127 -6.321 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.877 -7.689 1.740 1.00 0.00 H new ATOM 638 N THR A 43 1.231 -7.692 4.448 1.00 0.00 N ATOM 639 CA THR A 43 0.932 -8.726 5.478 1.00 0.00 C ATOM 640 C THR A 43 0.223 -9.900 4.805 1.00 0.00 C ATOM 641 O THR A 43 -0.426 -9.741 3.791 1.00 0.00 O ATOM 642 CB THR A 43 0.003 -8.049 6.486 1.00 0.00 C ATOM 643 OG1 THR A 43 0.718 -7.035 7.179 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.513 -9.089 7.485 1.00 0.00 C ATOM 0 H THR A 43 0.417 -7.194 4.088 1.00 0.00 H new ATOM 0 HA THR A 43 1.830 -9.106 5.965 1.00 0.00 H new ATOM 0 HB THR A 43 -0.842 -7.603 5.961 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.124 -6.599 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.175 -8.606 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.061 -9.866 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.330 -9.537 8.012 1.00 0.00 H new ATOM 652 N LEU A 44 0.358 -11.078 5.338 1.00 0.00 N ATOM 653 CA LEU A 44 -0.292 -12.251 4.700 1.00 0.00 C ATOM 654 C LEU A 44 -1.466 -12.758 5.534 1.00 0.00 C ATOM 655 O LEU A 44 -1.725 -12.282 6.621 1.00 0.00 O ATOM 656 CB LEU A 44 0.812 -13.293 4.654 1.00 0.00 C ATOM 657 CG LEU A 44 1.998 -12.730 3.879 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.147 -13.731 3.927 1.00 0.00 C ATOM 659 CD2 LEU A 44 1.585 -12.486 2.426 1.00 0.00 C ATOM 0 H LEU A 44 0.889 -11.279 6.185 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.703 -12.014 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.117 -13.562 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.450 -14.204 4.177 1.00 0.00 H new ATOM 0 HG LEU A 44 2.318 -11.788 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.999 -13.334 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.436 -13.904 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.829 -14.672 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.432 -12.083 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.269 -13.426 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.760 -11.774 2.397 1.00 0.00 H new ATOM 671 N LYS A 45 -2.179 -13.728 5.027 1.00 0.00 N ATOM 672 CA LYS A 45 -3.339 -14.273 5.783 1.00 0.00 C ATOM 673 C LYS A 45 -2.869 -15.350 6.762 1.00 0.00 C ATOM 674 O LYS A 45 -2.452 -16.421 6.368 1.00 0.00 O ATOM 675 CB LYS A 45 -4.258 -14.876 4.723 1.00 0.00 C ATOM 676 CG LYS A 45 -5.516 -14.016 4.592 1.00 0.00 C ATOM 677 CD LYS A 45 -6.280 -14.419 3.328 1.00 0.00 C ATOM 678 CE LYS A 45 -7.012 -13.198 2.764 1.00 0.00 C ATOM 679 NZ LYS A 45 -7.794 -12.656 3.910 1.00 0.00 N ATOM 0 H LYS A 45 -2.007 -14.165 4.122 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.846 -13.507 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.740 -14.930 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.528 -15.896 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.150 -14.144 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.245 -12.961 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.590 -14.818 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.994 -15.210 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.309 -12.458 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.665 -13.476 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.673 -12.226 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.025 -13.427 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.230 -11.936 4.405 1.00 0.00 H new ATOM 693 N GLY A 46 -2.930 -15.072 8.033 1.00 0.00 N ATOM 694 CA GLY A 46 -2.486 -16.076 9.035 1.00 0.00 C ATOM 695 C GLY A 46 -1.752 -15.369 10.174 1.00 0.00 C ATOM 696 O GLY A 46 -1.870 -15.739 11.326 1.00 0.00 O ATOM 0 H GLY A 46 -3.269 -14.192 8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.346 -16.621 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.830 -16.809 8.565 1.00 0.00 H new ATOM 700 N GLY A 47 -0.992 -14.353 9.866 1.00 0.00 N ATOM 701 CA GLY A 47 -0.251 -13.630 10.933 1.00 0.00 C ATOM 702 C GLY A 47 1.238 -13.629 10.600 1.00 0.00 C ATOM 703 O GLY A 47 2.052 -14.157 11.331 1.00 0.00 O ATOM 0 H GLY A 47 -0.854 -13.994 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.617 -12.607 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.419 -14.109 11.897 1.00 0.00 H new ATOM 707 N GLN A 48 1.595 -13.039 9.500 1.00 0.00 N ATOM 708 CA GLN A 48 3.022 -12.991 9.098 1.00 0.00 C ATOM 709 C GLN A 48 3.206 -11.916 8.029 1.00 0.00 C ATOM 710 O GLN A 48 2.924 -12.120 6.864 1.00 0.00 O ATOM 711 CB GLN A 48 3.324 -14.375 8.531 1.00 0.00 C ATOM 712 CG GLN A 48 2.516 -14.570 7.253 1.00 0.00 C ATOM 713 CD GLN A 48 1.949 -15.992 7.213 1.00 0.00 C ATOM 714 OE1 GLN A 48 0.870 -16.214 6.700 1.00 0.00 O ATOM 715 NE2 GLN A 48 2.637 -16.970 7.737 1.00 0.00 N ATOM 0 H GLN A 48 0.951 -12.582 8.854 1.00 0.00 H new ATOM 0 HA GLN A 48 3.688 -12.747 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.389 -14.473 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.070 -15.145 9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.705 -13.843 7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.147 -14.395 6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.543 -16.783 8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.269 -17.921 7.716 1.00 0.00 H new ATOM 724 N LYS A 49 3.656 -10.766 8.424 1.00 0.00 N ATOM 725 CA LYS A 49 3.844 -9.660 7.447 1.00 0.00 C ATOM 726 C LYS A 49 5.325 -9.403 7.208 1.00 0.00 C ATOM 727 O LYS A 49 6.187 -9.971 7.850 1.00 0.00 O ATOM 728 CB LYS A 49 3.198 -8.448 8.112 1.00 0.00 C ATOM 729 CG LYS A 49 3.562 -7.165 7.360 1.00 0.00 C ATOM 730 CD LYS A 49 2.876 -5.973 8.027 1.00 0.00 C ATOM 731 CE LYS A 49 3.892 -5.210 8.881 1.00 0.00 C ATOM 732 NZ LYS A 49 3.074 -4.308 9.737 1.00 0.00 N ATOM 0 H LYS A 49 3.904 -10.539 9.387 1.00 0.00 H new ATOM 0 HA LYS A 49 3.405 -9.888 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.115 -8.571 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.529 -8.375 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.643 -7.024 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.252 -7.241 6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.453 -5.313 7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.049 -6.317 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.491 -5.891 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.584 -4.643 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.701 -3.751 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.520 -3.666 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.429 -4.876 10.323 1.00 0.00 H new ATOM 746 N VAL A 50 5.617 -8.548 6.280 1.00 0.00 N ATOM 747 CA VAL A 50 7.040 -8.229 5.968 1.00 0.00 C ATOM 748 C VAL A 50 7.115 -7.027 5.021 1.00 0.00 C ATOM 749 O VAL A 50 6.158 -6.299 4.851 1.00 0.00 O ATOM 750 CB VAL A 50 7.585 -9.493 5.295 1.00 0.00 C ATOM 751 CG1 VAL A 50 7.263 -9.466 3.799 1.00 0.00 C ATOM 752 CG2 VAL A 50 9.102 -9.560 5.489 1.00 0.00 C ATOM 0 H VAL A 50 4.930 -8.049 5.716 1.00 0.00 H new ATOM 0 HA VAL A 50 7.615 -7.963 6.855 1.00 0.00 H new ATOM 0 HB VAL A 50 7.119 -10.369 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.653 -10.367 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.183 -9.422 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.723 -8.589 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.491 -10.459 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.565 -8.681 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.332 -9.588 6.554 1.00 0.00 H new ATOM 762 N CYS A 51 8.245 -6.813 4.403 1.00 0.00 N ATOM 763 CA CYS A 51 8.377 -5.660 3.470 1.00 0.00 C ATOM 764 C CYS A 51 8.469 -6.160 2.031 1.00 0.00 C ATOM 765 O CYS A 51 8.961 -7.241 1.769 1.00 0.00 O ATOM 766 CB CYS A 51 9.671 -4.964 3.886 1.00 0.00 C ATOM 767 SG CYS A 51 9.359 -3.926 5.336 1.00 0.00 S ATOM 0 H CYS A 51 9.082 -7.387 4.505 1.00 0.00 H new ATOM 0 HA CYS A 51 7.522 -4.985 3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.438 -5.705 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.050 -4.356 3.065 1.00 0.00 H new ATOM 0 HG CYS A 51 10.461 -3.335 5.692 1.00 0.00 H new ATOM 772 N LEU A 52 7.980 -5.395 1.097 1.00 0.00 N ATOM 773 CA LEU A 52 8.014 -5.832 -0.312 1.00 0.00 C ATOM 774 C LEU A 52 9.011 -4.997 -1.119 1.00 0.00 C ATOM 775 O LEU A 52 9.457 -3.949 -0.687 1.00 0.00 O ATOM 776 CB LEU A 52 6.591 -5.582 -0.786 1.00 0.00 C ATOM 777 CG LEU A 52 5.954 -6.905 -1.199 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.436 -6.805 -1.054 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.309 -7.212 -2.655 1.00 0.00 C ATOM 0 H LEU A 52 7.557 -4.481 1.257 1.00 0.00 H new ATOM 0 HA LEU A 52 8.331 -6.868 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.008 -5.118 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.593 -4.889 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 52 6.329 -7.704 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.979 -7.750 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.183 -6.588 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.061 -6.006 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.853 -8.158 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.935 -6.414 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.392 -7.283 -2.758 1.00 0.00 H new ATOM 791 N ASP A 53 9.353 -5.470 -2.289 1.00 0.00 N ATOM 792 CA ASP A 53 10.320 -4.746 -3.167 1.00 0.00 C ATOM 793 C ASP A 53 9.996 -3.246 -3.218 1.00 0.00 C ATOM 794 O ASP A 53 9.260 -2.741 -2.397 1.00 0.00 O ATOM 795 CB ASP A 53 10.126 -5.389 -4.541 1.00 0.00 C ATOM 796 CG ASP A 53 11.476 -5.861 -5.083 1.00 0.00 C ATOM 797 OD1 ASP A 53 12.412 -5.938 -4.303 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.552 -6.140 -6.268 1.00 0.00 O ATOM 0 H ASP A 53 8.997 -6.342 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 53 11.347 -4.821 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.439 -6.232 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.677 -4.672 -5.229 1.00 0.00 H new ATOM 803 N PRO A 54 10.562 -2.576 -4.189 1.00 0.00 N ATOM 804 CA PRO A 54 10.330 -1.124 -4.335 1.00 0.00 C ATOM 805 C PRO A 54 9.017 -0.898 -5.078 1.00 0.00 C ATOM 806 O PRO A 54 8.999 -0.656 -6.267 1.00 0.00 O ATOM 807 CB PRO A 54 11.523 -0.655 -5.160 1.00 0.00 C ATOM 808 CG PRO A 54 11.991 -1.861 -5.922 1.00 0.00 C ATOM 809 CD PRO A 54 11.453 -3.096 -5.235 1.00 0.00 C ATOM 0 HA PRO A 54 10.250 -0.588 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.238 0.150 -5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.314 -0.266 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.641 -1.818 -6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.080 -1.890 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.914 -3.736 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.257 -3.696 -4.809 1.00 0.00 H new ATOM 817 N GLU A 55 7.913 -1.009 -4.392 1.00 0.00 N ATOM 818 CA GLU A 55 6.605 -0.842 -5.075 1.00 0.00 C ATOM 819 C GLU A 55 6.425 -2.019 -6.027 1.00 0.00 C ATOM 820 O GLU A 55 5.647 -1.974 -6.959 1.00 0.00 O ATOM 821 CB GLU A 55 6.708 0.476 -5.848 1.00 0.00 C ATOM 822 CG GLU A 55 7.409 1.528 -4.983 1.00 0.00 C ATOM 823 CD GLU A 55 8.679 2.006 -5.689 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.564 2.828 -6.581 1.00 0.00 O ATOM 825 OE2 GLU A 55 9.747 1.541 -5.324 1.00 0.00 O ATOM 0 H GLU A 55 7.862 -1.207 -3.393 1.00 0.00 H new ATOM 0 HA GLU A 55 5.757 -0.818 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.263 0.324 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.713 0.824 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.741 2.370 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.658 1.106 -4.009 1.00 0.00 H new ATOM 832 N ALA A 56 7.166 -3.073 -5.800 1.00 0.00 N ATOM 833 CA ALA A 56 7.073 -4.261 -6.689 1.00 0.00 C ATOM 834 C ALA A 56 6.982 -3.791 -8.141 1.00 0.00 C ATOM 835 O ALA A 56 5.954 -3.918 -8.772 1.00 0.00 O ATOM 836 CB ALA A 56 5.797 -4.991 -6.259 1.00 0.00 C ATOM 0 H ALA A 56 7.833 -3.159 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 56 7.939 -4.918 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.663 -5.881 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.880 -5.282 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.940 -4.330 -6.385 1.00 0.00 H new ATOM 842 N PRO A 57 8.072 -3.252 -8.620 1.00 0.00 N ATOM 843 CA PRO A 57 8.123 -2.745 -10.010 1.00 0.00 C ATOM 844 C PRO A 57 8.225 -3.919 -10.978 1.00 0.00 C ATOM 845 O PRO A 57 7.265 -4.284 -11.628 1.00 0.00 O ATOM 846 CB PRO A 57 9.386 -1.892 -10.039 1.00 0.00 C ATOM 847 CG PRO A 57 10.253 -2.433 -8.945 1.00 0.00 C ATOM 848 CD PRO A 57 9.347 -3.071 -7.918 1.00 0.00 C ATOM 0 HA PRO A 57 7.239 -2.178 -10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.884 -1.960 -11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.154 -0.840 -9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.958 -3.164 -9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.842 -1.635 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.748 -4.023 -7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.231 -2.435 -7.040 1.00 0.00 H new ATOM 856 N LEU A 58 9.369 -4.533 -11.066 1.00 0.00 N ATOM 857 CA LEU A 58 9.496 -5.697 -11.975 1.00 0.00 C ATOM 858 C LEU A 58 8.349 -6.664 -11.687 1.00 0.00 C ATOM 859 O LEU A 58 7.762 -7.237 -12.584 1.00 0.00 O ATOM 860 CB LEU A 58 10.843 -6.332 -11.631 1.00 0.00 C ATOM 861 CG LEU A 58 11.720 -6.382 -12.883 1.00 0.00 C ATOM 862 CD1 LEU A 58 13.185 -6.540 -12.476 1.00 0.00 C ATOM 863 CD2 LEU A 58 11.301 -7.572 -13.750 1.00 0.00 C ATOM 0 H LEU A 58 10.213 -4.281 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 58 9.450 -5.427 -13.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.339 -5.756 -10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.693 -7.338 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 58 11.599 -5.458 -13.448 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.809 -6.576 -13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.484 -5.694 -11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.308 -7.464 -11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.925 -7.609 -14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.422 -8.495 -13.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.257 -7.460 -14.042 1.00 0.00 H new ATOM 875 N VAL A 59 8.020 -6.840 -10.433 1.00 0.00 N ATOM 876 CA VAL A 59 6.903 -7.760 -10.078 1.00 0.00 C ATOM 877 C VAL A 59 5.574 -6.997 -10.018 1.00 0.00 C ATOM 878 O VAL A 59 4.547 -7.549 -9.679 1.00 0.00 O ATOM 879 CB VAL A 59 7.267 -8.306 -8.704 1.00 0.00 C ATOM 880 CG1 VAL A 59 6.182 -9.278 -8.246 1.00 0.00 C ATOM 881 CG2 VAL A 59 8.608 -9.038 -8.791 1.00 0.00 C ATOM 0 H VAL A 59 8.477 -6.386 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 59 6.775 -8.553 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 59 7.346 -7.487 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.438 -9.672 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.226 -8.757 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.106 -10.100 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.873 -9.431 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.528 -9.861 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.380 -8.345 -9.125 1.00 0.00 H new ATOM 891 N GLN A 60 5.587 -5.733 -10.339 1.00 0.00 N ATOM 892 CA GLN A 60 4.325 -4.938 -10.292 1.00 0.00 C ATOM 893 C GLN A 60 3.202 -5.693 -10.995 1.00 0.00 C ATOM 894 O GLN A 60 2.094 -5.778 -10.503 1.00 0.00 O ATOM 895 CB GLN A 60 4.637 -3.630 -11.020 1.00 0.00 C ATOM 896 CG GLN A 60 3.696 -2.528 -10.522 1.00 0.00 C ATOM 897 CD GLN A 60 3.992 -2.216 -9.051 1.00 0.00 C ATOM 898 OE1 GLN A 60 3.871 -3.074 -8.198 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.372 -1.014 -8.713 1.00 0.00 N ATOM 0 H GLN A 60 6.416 -5.215 -10.632 1.00 0.00 H new ATOM 0 HA GLN A 60 3.994 -4.756 -9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.674 -3.343 -10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.520 -3.764 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.822 -1.629 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.659 -2.845 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.474 -0.292 -9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.567 -0.797 -7.736 1.00 0.00 H new ATOM 908 N LYS A 61 3.478 -6.252 -12.135 1.00 0.00 N ATOM 909 CA LYS A 61 2.417 -7.013 -12.853 1.00 0.00 C ATOM 910 C LYS A 61 1.704 -7.924 -11.857 1.00 0.00 C ATOM 911 O LYS A 61 0.495 -8.037 -11.848 1.00 0.00 O ATOM 912 CB LYS A 61 3.153 -7.832 -13.915 1.00 0.00 C ATOM 913 CG LYS A 61 2.189 -8.183 -15.049 1.00 0.00 C ATOM 914 CD LYS A 61 2.523 -9.573 -15.594 1.00 0.00 C ATOM 915 CE LYS A 61 3.964 -9.586 -16.111 1.00 0.00 C ATOM 916 NZ LYS A 61 3.855 -9.264 -17.562 1.00 0.00 N ATOM 0 H LYS A 61 4.385 -6.218 -12.601 1.00 0.00 H new ATOM 0 HA LYS A 61 1.665 -6.369 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.999 -7.265 -14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.557 -8.742 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.161 -8.161 -14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.262 -7.442 -15.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.399 -10.321 -14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.835 -9.835 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.578 -8.852 -15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.430 -10.559 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.804 -9.254 -17.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.271 -9.983 -18.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.414 -8.329 -17.678 1.00 0.00 H new ATOM 930 N ILE A 62 2.454 -8.554 -10.998 1.00 0.00 N ATOM 931 CA ILE A 62 1.840 -9.440 -9.973 1.00 0.00 C ATOM 932 C ILE A 62 1.107 -8.569 -8.950 1.00 0.00 C ATOM 933 O ILE A 62 0.135 -8.981 -8.349 1.00 0.00 O ATOM 934 CB ILE A 62 3.026 -10.180 -9.344 1.00 0.00 C ATOM 935 CG1 ILE A 62 3.214 -11.525 -10.050 1.00 0.00 C ATOM 936 CG2 ILE A 62 2.763 -10.422 -7.858 1.00 0.00 C ATOM 937 CD1 ILE A 62 4.319 -12.319 -9.350 1.00 0.00 C ATOM 0 H ILE A 62 3.472 -8.493 -10.962 1.00 0.00 H new ATOM 0 HA ILE A 62 1.110 -10.143 -10.375 1.00 0.00 H new ATOM 0 HB ILE A 62 3.925 -9.574 -9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.281 -12.089 -10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.474 -11.365 -11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.611 -10.948 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.628 -9.466 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.862 -11.025 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.453 -13.277 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.251 -11.756 -9.388 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.041 -12.491 -8.310 1.00 0.00 H new ATOM 949 N ILE A 63 1.551 -7.353 -8.778 1.00 0.00 N ATOM 950 CA ILE A 63 0.869 -6.437 -7.832 1.00 0.00 C ATOM 951 C ILE A 63 -0.416 -5.953 -8.486 1.00 0.00 C ATOM 952 O ILE A 63 -1.494 -6.091 -7.944 1.00 0.00 O ATOM 953 CB ILE A 63 1.861 -5.290 -7.617 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.471 -5.416 -6.224 1.00 0.00 C ATOM 955 CG2 ILE A 63 1.153 -3.942 -7.751 1.00 0.00 C ATOM 956 CD1 ILE A 63 3.004 -6.836 -6.050 1.00 0.00 C ATOM 0 H ILE A 63 2.360 -6.957 -9.256 1.00 0.00 H new ATOM 0 HA ILE A 63 0.600 -6.898 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 63 2.645 -5.346 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.276 -4.692 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.722 -5.197 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.871 -3.137 -7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.721 -3.855 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.361 -3.871 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.443 -6.941 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.186 -7.548 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.764 -7.035 -6.806 1.00 0.00 H new ATOM 968 N GLN A 64 -0.313 -5.426 -9.668 1.00 0.00 N ATOM 969 CA GLN A 64 -1.544 -4.980 -10.370 1.00 0.00 C ATOM 970 C GLN A 64 -2.529 -6.141 -10.334 1.00 0.00 C ATOM 971 O GLN A 64 -3.730 -5.963 -10.353 1.00 0.00 O ATOM 972 CB GLN A 64 -1.111 -4.669 -11.804 1.00 0.00 C ATOM 973 CG GLN A 64 -1.273 -3.171 -12.075 1.00 0.00 C ATOM 974 CD GLN A 64 -0.652 -2.827 -13.430 1.00 0.00 C ATOM 975 OE1 GLN A 64 0.260 -3.491 -13.880 1.00 0.00 O ATOM 976 NE2 GLN A 64 -1.112 -1.808 -14.104 1.00 0.00 N ATOM 0 H GLN A 64 0.560 -5.285 -10.176 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.017 -4.106 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.073 -4.966 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.712 -5.244 -12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.329 -2.902 -12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.792 -2.594 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.878 -1.250 -13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.706 -1.569 -15.009 1.00 0.00 H new ATOM 985 N LYS A 65 -2.010 -7.338 -10.247 1.00 0.00 N ATOM 986 CA LYS A 65 -2.889 -8.533 -10.169 1.00 0.00 C ATOM 987 C LYS A 65 -3.548 -8.563 -8.793 1.00 0.00 C ATOM 988 O LYS A 65 -4.687 -8.958 -8.642 1.00 0.00 O ATOM 989 CB LYS A 65 -1.954 -9.730 -10.348 1.00 0.00 C ATOM 990 CG LYS A 65 -2.620 -10.769 -11.252 1.00 0.00 C ATOM 991 CD LYS A 65 -3.468 -11.718 -10.402 1.00 0.00 C ATOM 992 CE LYS A 65 -2.551 -12.608 -9.561 1.00 0.00 C ATOM 993 NZ LYS A 65 -3.473 -13.430 -8.729 1.00 0.00 N ATOM 0 H LYS A 65 -1.010 -7.536 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.679 -8.535 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.010 -9.405 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.722 -10.171 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.245 -10.273 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.862 -11.331 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.132 -11.147 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.099 -12.332 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.922 -13.236 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.883 -12.012 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.918 -14.068 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.054 -12.805 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.092 -13.992 -9.348 1.00 0.00 H new ATOM 1007 N ILE A 66 -2.836 -8.126 -7.790 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.410 -8.102 -6.417 1.00 0.00 C ATOM 1009 C ILE A 66 -4.350 -6.904 -6.289 1.00 0.00 C ATOM 1010 O ILE A 66 -5.351 -6.949 -5.603 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.203 -7.967 -5.481 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.438 -8.813 -4.227 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -2.008 -6.502 -5.077 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.544 -8.179 -3.381 1.00 0.00 C ATOM 0 H ILE A 66 -1.878 -7.784 -7.864 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.991 -8.993 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.309 -8.314 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.718 -9.828 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.518 -8.885 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.148 -6.419 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.837 -5.898 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.900 -6.145 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.710 -8.782 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.246 -7.172 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.464 -8.130 -3.963 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.032 -5.835 -6.963 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.896 -4.625 -6.911 1.00 0.00 C ATOM 1028 C LEU A 67 -6.144 -4.851 -7.763 1.00 0.00 C ATOM 1029 O LEU A 67 -7.216 -4.371 -7.457 1.00 0.00 O ATOM 1030 CB LEU A 67 -4.035 -3.508 -7.504 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.246 -2.825 -6.387 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.916 -3.553 -6.188 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -2.978 -1.368 -6.770 1.00 0.00 C ATOM 0 H LEU A 67 -3.204 -5.748 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.232 -4.387 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.352 -3.917 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.666 -2.781 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.821 -2.857 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.351 -3.068 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.107 -4.591 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.341 -3.519 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.415 -0.880 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.402 -1.335 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.926 -0.850 -6.915 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.007 -5.585 -8.831 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.177 -5.852 -9.710 1.00 0.00 C ATOM 1047 C ASN A 68 -7.900 -7.126 -9.264 1.00 0.00 C ATOM 1048 O ASN A 68 -8.858 -7.552 -9.877 1.00 0.00 O ATOM 1049 CB ASN A 68 -6.587 -6.029 -11.107 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.467 -5.308 -12.128 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.214 -5.934 -12.853 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.411 -4.006 -12.217 1.00 0.00 N ATOM 0 H ASN A 68 -5.132 -6.013 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.911 -5.047 -9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.573 -5.629 -11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.520 -7.089 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.994 -3.516 -12.895 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.784 -3.480 -11.609 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.451 -7.739 -8.200 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.119 -8.985 -7.722 1.00 0.00 C ATOM 1061 C LYS A 69 -9.365 -8.642 -6.911 1.00 0.00 C ATOM 1062 O LYS A 69 -9.953 -9.481 -6.258 1.00 0.00 O ATOM 1063 CB LYS A 69 -7.083 -9.701 -6.856 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.930 -8.961 -5.525 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.755 -9.671 -4.450 1.00 0.00 C ATOM 1066 CE LYS A 69 -6.823 -10.203 -3.358 1.00 0.00 C ATOM 1067 NZ LYS A 69 -7.688 -11.054 -2.496 1.00 0.00 N ATOM 0 H LYS A 69 -6.653 -7.432 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.447 -9.614 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.392 -10.731 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.125 -9.740 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.881 -8.930 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.262 -7.928 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.481 -8.981 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.319 -10.492 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.002 -10.779 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.377 -9.388 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.120 -11.455 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.456 -10.477 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.093 -11.825 -3.064 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.764 5.686 3.904 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.483 6.376 2.615 1.00 0.00 C ATOM 1312 C LYS B 13 -13.983 6.315 2.310 1.00 0.00 C ATOM 1313 O LYS B 13 -13.197 5.848 3.111 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.926 7.825 2.827 1.00 0.00 C ATOM 1315 CG LYS B 13 -15.730 8.217 4.294 1.00 0.00 C ATOM 1316 CD LYS B 13 -15.596 9.738 4.402 1.00 0.00 C ATOM 1317 CE LYS B 13 -14.117 10.115 4.516 1.00 0.00 C ATOM 1318 NZ LYS B 13 -13.832 10.114 5.977 1.00 0.00 N ATOM 0 HA LYS B 13 -16.004 5.914 1.777 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -15.349 8.489 2.183 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -16.973 7.940 2.547 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -16.575 7.872 4.890 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -14.839 7.733 4.695 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -16.037 10.215 3.527 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -16.143 10.101 5.273 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -13.485 9.399 3.990 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -13.924 11.094 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -12.835 10.364 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -14.443 10.810 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -14.018 9.168 6.366 1.00 0.00 H new ATOM 1332 N THR B 14 -13.579 6.783 1.162 1.00 0.00 N ATOM 1333 CA THR B 14 -12.134 6.750 0.812 1.00 0.00 C ATOM 1334 C THR B 14 -11.806 7.881 -0.165 1.00 0.00 C ATOM 1335 O THR B 14 -12.669 8.394 -0.849 1.00 0.00 O ATOM 1336 CB THR B 14 -11.925 5.395 0.145 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.176 4.886 -0.296 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.298 4.422 1.144 1.00 0.00 C ATOM 0 H THR B 14 -14.189 7.187 0.451 1.00 0.00 H new ATOM 0 HA THR B 14 -11.492 6.882 1.683 1.00 0.00 H new ATOM 0 HB THR B 14 -11.259 5.511 -0.710 1.00 0.00 H new ATOM 0 HG1 THR B 14 -13.042 4.016 -0.726 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.150 3.454 0.665 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.337 4.813 1.478 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.960 4.305 2.002 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.565 8.275 -0.236 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.186 9.371 -1.167 1.00 0.00 C ATOM 1348 C LEU B 15 -9.473 8.805 -2.392 1.00 0.00 C ATOM 1349 O LEU B 15 -8.788 7.805 -2.309 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.238 10.251 -0.361 1.00 0.00 C ATOM 1351 CG LEU B 15 -10.005 10.892 0.793 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.580 10.247 2.113 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.702 12.389 0.834 1.00 0.00 C ATOM 0 H LEU B 15 -9.798 7.885 0.311 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.052 9.922 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.409 9.656 0.024 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.807 11.022 -1.000 1.00 0.00 H new ATOM 0 HG LEU B 15 -11.074 10.741 0.646 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.129 10.706 2.935 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.797 9.179 2.083 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.511 10.395 2.263 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.249 12.848 1.657 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.632 12.540 0.980 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.008 12.848 -0.106 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.660 9.473 -3.494 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.030 9.047 -4.758 1.00 0.00 C ATOM 1367 C PRO B 16 -7.598 9.575 -4.823 1.00 0.00 C ATOM 1368 O PRO B 16 -6.813 9.178 -5.660 1.00 0.00 O ATOM 1369 CB PRO B 16 -9.897 9.711 -5.822 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.510 10.906 -5.153 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.472 10.678 -3.661 1.00 0.00 C ATOM 0 HA PRO B 16 -8.971 7.965 -4.876 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.301 10.008 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.665 9.028 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -9.962 11.811 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.537 11.046 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.031 11.529 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.474 10.540 -3.255 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.260 10.481 -3.948 1.00 0.00 N ATOM 1380 CA ARG B 17 -5.890 11.056 -3.956 1.00 0.00 C ATOM 1381 C ARG B 17 -5.706 11.968 -2.742 1.00 0.00 C ATOM 1382 O ARG B 17 -5.674 13.177 -2.860 1.00 0.00 O ATOM 1383 CB ARG B 17 -5.829 11.864 -5.250 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.556 12.709 -5.263 1.00 0.00 C ATOM 1385 CD ARG B 17 -4.846 14.062 -5.916 1.00 0.00 C ATOM 1386 NE ARG B 17 -3.587 14.424 -6.624 1.00 0.00 N ATOM 1387 CZ ARG B 17 -3.636 15.065 -7.759 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -4.679 15.793 -8.053 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -2.644 14.978 -8.601 1.00 0.00 N ATOM 0 H ARG B 17 -7.879 10.848 -3.225 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.108 10.298 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -5.843 11.195 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -6.706 12.507 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.194 12.855 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -3.769 12.191 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -5.684 13.994 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -5.110 14.812 -5.170 1.00 0.00 H new ATOM 0 HE ARG B 17 -2.685 14.170 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -5.456 15.861 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -4.717 16.294 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -1.829 14.409 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -2.683 15.479 -9.488 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.586 11.396 -1.578 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.397 12.231 -0.349 1.00 0.00 C ATOM 1405 C VAL B 18 -4.298 13.259 -0.598 1.00 0.00 C ATOM 1406 O VAL B 18 -3.776 13.351 -1.687 1.00 0.00 O ATOM 1407 CB VAL B 18 -4.975 11.245 0.740 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -5.139 11.903 2.107 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -5.858 9.996 0.674 1.00 0.00 C ATOM 0 H VAL B 18 -5.610 10.389 -1.419 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.297 12.778 -0.068 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.933 10.962 0.588 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.839 11.203 2.886 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.513 12.794 2.159 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -6.182 12.183 2.253 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -5.555 9.295 1.451 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -6.900 10.278 0.826 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.749 9.524 -0.303 1.00 0.00 H new ATOM 1419 N ASP B 19 -3.927 14.024 0.397 1.00 0.00 N ATOM 1420 CA ASP B 19 -2.843 15.019 0.190 1.00 0.00 C ATOM 1421 C ASP B 19 -1.659 14.288 -0.438 1.00 0.00 C ATOM 1422 O ASP B 19 -0.626 14.082 0.169 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.521 15.525 1.590 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.531 16.686 1.507 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.046 16.948 0.418 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.274 17.294 2.533 1.00 0.00 O ATOM 0 H ASP B 19 -4.327 14.000 1.335 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.105 15.848 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.435 15.849 2.088 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.100 14.718 2.190 1.00 0.00 H new ATOM 1431 N PHE B 20 -1.849 13.856 -1.648 1.00 0.00 N ATOM 1432 CA PHE B 20 -0.821 13.078 -2.380 1.00 0.00 C ATOM 1433 C PHE B 20 0.601 13.514 -2.062 1.00 0.00 C ATOM 1434 O PHE B 20 1.323 12.835 -1.361 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.139 13.326 -3.847 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.072 12.013 -4.557 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.166 11.147 -4.525 1.00 0.00 C ATOM 1438 CD2 PHE B 20 0.096 11.650 -5.224 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.093 9.912 -5.164 1.00 0.00 C ATOM 1440 CE2 PHE B 20 0.175 10.421 -5.866 1.00 0.00 C ATOM 1441 CZ PHE B 20 -0.923 9.546 -5.836 1.00 0.00 C ATOM 0 H PHE B 20 -2.706 14.017 -2.177 1.00 0.00 H new ATOM 0 HA PHE B 20 -0.856 12.026 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.130 13.768 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.428 14.030 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.068 11.434 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.940 12.324 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -2.937 9.239 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.078 10.139 -6.387 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.863 8.589 -6.333 1.00 0.00 H new ATOM 1451 N LYS B 21 1.030 14.611 -2.600 1.00 0.00 N ATOM 1452 CA LYS B 21 2.426 15.044 -2.351 1.00 0.00 C ATOM 1453 C LYS B 21 2.800 14.803 -0.884 1.00 0.00 C ATOM 1454 O LYS B 21 3.957 14.652 -0.545 1.00 0.00 O ATOM 1455 CB LYS B 21 2.455 16.536 -2.684 1.00 0.00 C ATOM 1456 CG LYS B 21 3.440 16.784 -3.828 1.00 0.00 C ATOM 1457 CD LYS B 21 3.630 18.290 -4.021 1.00 0.00 C ATOM 1458 CE LYS B 21 2.884 18.744 -5.277 1.00 0.00 C ATOM 1459 NZ LYS B 21 3.233 20.183 -5.433 1.00 0.00 N ATOM 0 H LYS B 21 0.479 15.226 -3.199 1.00 0.00 H new ATOM 0 HA LYS B 21 3.143 14.488 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.459 16.876 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS B 21 2.749 17.110 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS B 21 4.397 16.311 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS B 21 3.067 16.333 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS B 21 3.257 18.828 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS B 21 4.691 18.524 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS B 21 3.191 18.167 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS B 21 1.808 18.608 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.758 20.566 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 2.923 20.709 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 4.263 20.281 -5.542 1.00 0.00 H new ATOM 1473 N ASN B 22 1.828 14.762 -0.009 1.00 0.00 N ATOM 1474 CA ASN B 22 2.128 14.527 1.428 1.00 0.00 C ATOM 1475 C ASN B 22 2.111 13.032 1.739 1.00 0.00 C ATOM 1476 O ASN B 22 2.758 12.573 2.660 1.00 0.00 O ATOM 1477 CB ASN B 22 1.002 15.223 2.178 1.00 0.00 C ATOM 1478 CG ASN B 22 1.588 16.137 3.254 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.710 16.589 3.140 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.871 16.430 4.305 1.00 0.00 N ATOM 0 H ASN B 22 0.840 14.882 -0.232 1.00 0.00 H new ATOM 0 HA ASN B 22 3.113 14.902 1.707 1.00 0.00 H new ATOM 0 HB2 ASN B 22 0.395 15.805 1.484 1.00 0.00 H new ATOM 0 HB3 ASN B 22 0.344 14.483 2.634 1.00 0.00 H new ATOM 0 HD21 ASN B 22 1.253 17.038 5.030 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.071 16.051 4.402 1.00 0.00 H new ATOM 1487 N ILE B 23 1.365 12.271 0.986 1.00 0.00 N ATOM 1488 CA ILE B 23 1.292 10.807 1.246 1.00 0.00 C ATOM 1489 C ILE B 23 2.657 10.279 1.703 1.00 0.00 C ATOM 1490 O ILE B 23 3.593 10.185 0.935 1.00 0.00 O ATOM 1491 CB ILE B 23 0.857 10.184 -0.088 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.501 9.504 0.093 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.880 9.144 -0.550 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.560 10.558 0.421 1.00 0.00 C ATOM 0 H ILE B 23 0.803 12.601 0.202 1.00 0.00 H new ATOM 0 HA ILE B 23 0.591 10.558 2.043 1.00 0.00 H new ATOM 0 HB ILE B 23 0.787 10.971 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.775 8.968 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.446 8.767 0.894 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.557 8.712 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.851 9.622 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.962 8.356 0.199 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.528 10.073 0.550 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.287 11.074 1.342 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.621 11.279 -0.394 1.00 0.00 H new ATOM 1506 N GLN B 24 2.770 9.943 2.958 1.00 0.00 N ATOM 1507 CA GLN B 24 4.071 9.424 3.481 1.00 0.00 C ATOM 1508 C GLN B 24 4.051 7.895 3.525 1.00 0.00 C ATOM 1509 O GLN B 24 5.072 7.254 3.667 1.00 0.00 O ATOM 1510 CB GLN B 24 4.190 10.002 4.891 1.00 0.00 C ATOM 1511 CG GLN B 24 5.665 10.080 5.290 1.00 0.00 C ATOM 1512 CD GLN B 24 5.957 9.038 6.373 1.00 0.00 C ATOM 1513 OE1 GLN B 24 6.445 7.965 6.084 1.00 0.00 O ATOM 1514 NE2 GLN B 24 5.677 9.313 7.618 1.00 0.00 N ATOM 0 H GLN B 24 2.020 10.004 3.646 1.00 0.00 H new ATOM 0 HA GLN B 24 4.914 9.711 2.852 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.740 10.994 4.928 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.644 9.378 5.598 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.298 9.903 4.420 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.901 11.079 5.658 1.00 0.00 H new ATOM 0 HE21 GLN B 24 5.267 10.215 7.861 1.00 0.00 H new ATOM 0 HE22 GLN B 24 5.868 8.626 8.347 1.00 0.00 H new ATOM 1523 N SER B 25 2.896 7.310 3.398 1.00 0.00 N ATOM 1524 CA SER B 25 2.805 5.825 3.425 1.00 0.00 C ATOM 1525 C SER B 25 1.444 5.389 2.884 1.00 0.00 C ATOM 1526 O SER B 25 0.421 5.913 3.267 1.00 0.00 O ATOM 1527 CB SER B 25 2.947 5.440 4.897 1.00 0.00 C ATOM 1528 OG SER B 25 2.696 6.579 5.708 1.00 0.00 O ATOM 0 H SER B 25 2.008 7.797 3.276 1.00 0.00 H new ATOM 0 HA SER B 25 3.569 5.347 2.812 1.00 0.00 H new ATOM 0 HB2 SER B 25 2.247 4.642 5.145 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.949 5.056 5.089 1.00 0.00 H new ATOM 0 HG SER B 25 2.785 6.334 6.653 1.00 0.00 H new ATOM 1534 N LEU B 26 1.417 4.445 1.989 1.00 0.00 N ATOM 1535 CA LEU B 26 0.111 4.003 1.429 1.00 0.00 C ATOM 1536 C LEU B 26 -0.157 2.541 1.780 1.00 0.00 C ATOM 1537 O LEU B 26 0.743 1.730 1.825 1.00 0.00 O ATOM 1538 CB LEU B 26 0.248 4.177 -0.082 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.952 4.958 -0.614 1.00 0.00 C ATOM 1540 CD1 LEU B 26 -1.058 4.768 -2.128 1.00 0.00 C ATOM 1541 CD2 LEU B 26 -2.227 4.440 0.054 1.00 0.00 C ATOM 0 H LEU B 26 2.237 3.962 1.622 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.722 4.578 1.832 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.172 4.705 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.306 3.203 -0.568 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.825 6.017 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.915 5.326 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.148 5.133 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.186 3.709 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -3.086 4.995 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.351 3.381 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.153 4.575 1.133 1.00 0.00 H new ATOM 1553 N SER B 27 -1.391 2.199 2.027 1.00 0.00 N ATOM 1554 CA SER B 27 -1.721 0.789 2.373 1.00 0.00 C ATOM 1555 C SER B 27 -2.850 0.278 1.475 1.00 0.00 C ATOM 1556 O SER B 27 -3.687 1.034 1.025 1.00 0.00 O ATOM 1557 CB SER B 27 -2.171 0.837 3.830 1.00 0.00 C ATOM 1558 OG SER B 27 -1.444 -0.129 4.577 1.00 0.00 O ATOM 0 H SER B 27 -2.187 2.837 2.004 1.00 0.00 H new ATOM 0 HA SER B 27 -0.875 0.117 2.231 1.00 0.00 H new ATOM 0 HB2 SER B 27 -2.005 1.833 4.242 1.00 0.00 H new ATOM 0 HB3 SER B 27 -3.240 0.638 3.899 1.00 0.00 H new ATOM 0 HG SER B 27 -1.729 -0.100 5.514 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.879 -0.998 1.203 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.954 -1.544 0.329 1.00 0.00 C ATOM 1566 C VAL B 28 -4.515 -2.842 0.919 1.00 0.00 C ATOM 1567 O VAL B 28 -3.855 -3.862 0.939 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.274 -1.813 -1.013 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.138 -2.760 -1.847 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -3.096 -0.492 -1.765 1.00 0.00 C ATOM 0 H VAL B 28 -2.207 -1.684 1.547 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.793 -0.856 0.231 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.300 -2.271 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.651 -2.950 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.267 -3.701 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.113 -2.305 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.611 -0.681 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.071 -0.036 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.479 0.183 -1.173 1.00 0.00 H new ATOM 1580 N THR B 29 -5.731 -2.813 1.390 1.00 0.00 N ATOM 1581 CA THR B 29 -6.341 -4.044 1.969 1.00 0.00 C ATOM 1582 C THR B 29 -7.555 -4.455 1.135 1.00 0.00 C ATOM 1583 O THR B 29 -8.325 -3.620 0.707 1.00 0.00 O ATOM 1584 CB THR B 29 -6.767 -3.650 3.384 1.00 0.00 C ATOM 1585 OG1 THR B 29 -7.358 -4.770 4.028 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.779 -2.506 3.313 1.00 0.00 C ATOM 0 H THR B 29 -6.330 -1.988 1.399 1.00 0.00 H new ATOM 0 HA THR B 29 -5.653 -4.889 1.978 1.00 0.00 H new ATOM 0 HB THR B 29 -5.894 -3.325 3.950 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.630 -4.520 4.936 1.00 0.00 H new ATOM 0 HG21 THR B 29 -8.082 -2.225 4.322 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.324 -1.648 2.819 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.653 -2.828 2.748 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.679 -5.734 0.926 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.806 -6.270 0.123 1.00 0.00 C ATOM 1596 C PRO B 30 -10.135 -6.113 0.867 1.00 0.00 C ATOM 1597 O PRO B 30 -10.172 -5.657 1.993 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.446 -7.744 -0.055 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.546 -8.059 1.097 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.791 -6.795 1.412 1.00 0.00 C ATOM 0 HA PRO B 30 -8.938 -5.748 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.336 -8.373 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -7.945 -7.917 -1.007 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -8.123 -8.391 1.960 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.860 -8.867 0.843 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.598 -6.699 2.480 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.824 -6.770 0.910 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.190 -6.494 0.196 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.551 -6.395 0.780 1.00 0.00 C ATOM 1610 C PRO B 31 -12.750 -7.433 1.889 1.00 0.00 C ATOM 1611 O PRO B 31 -11.805 -7.964 2.437 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.470 -6.689 -0.403 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.640 -7.495 -1.347 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.213 -7.052 -1.162 1.00 0.00 C ATOM 0 HA PRO B 31 -12.742 -5.426 1.240 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.356 -7.240 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.818 -5.768 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.744 -8.560 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -12.963 -7.338 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.519 -7.887 -1.263 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -10.926 -6.308 -1.905 1.00 0.00 H new ATOM 1697 N THR B 38 -12.435 -3.531 -2.017 1.00 0.00 N ATOM 1698 CA THR B 38 -11.000 -3.224 -1.755 1.00 0.00 C ATOM 1699 C THR B 38 -10.870 -1.819 -1.163 1.00 0.00 C ATOM 1700 O THR B 38 -11.516 -0.889 -1.602 1.00 0.00 O ATOM 1701 CB THR B 38 -10.314 -3.291 -3.120 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.279 -3.581 -4.122 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.244 -4.384 -3.106 1.00 0.00 C ATOM 0 HA THR B 38 -10.553 -3.920 -1.045 1.00 0.00 H new ATOM 0 HB THR B 38 -9.844 -2.331 -3.336 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.158 -3.258 -3.833 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.757 -4.429 -4.080 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.502 -4.157 -2.340 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.709 -5.345 -2.888 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.044 -1.658 -0.168 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.880 -0.313 0.449 1.00 0.00 C ATOM 1713 C GLU B 39 -8.398 0.015 0.626 1.00 0.00 C ATOM 1714 O GLU B 39 -7.565 -0.865 0.726 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.566 -0.416 1.808 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.120 0.952 2.191 1.00 0.00 C ATOM 1717 CD GLU B 39 -12.501 0.789 2.827 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -13.338 0.139 2.222 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -12.699 1.317 3.909 1.00 0.00 O ATOM 0 H GLU B 39 -9.476 -2.398 0.244 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.308 0.476 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.371 -1.150 1.769 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.858 -0.760 2.562 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.444 1.447 2.888 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.188 1.588 1.308 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.059 1.275 0.663 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.626 1.651 0.832 1.00 0.00 C ATOM 1728 C VAL B 40 -6.445 2.548 2.059 1.00 0.00 C ATOM 1729 O VAL B 40 -7.372 3.180 2.526 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.272 2.414 -0.445 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.806 2.851 -0.399 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.491 1.506 -1.654 1.00 0.00 C ATOM 0 H VAL B 40 -8.709 2.057 0.584 1.00 0.00 H new ATOM 0 HA VAL B 40 -5.987 0.781 0.985 1.00 0.00 H new ATOM 0 HB VAL B 40 -6.908 3.295 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.559 3.394 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.646 3.498 0.463 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.167 1.972 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.239 2.047 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -5.855 0.625 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.535 1.197 -1.692 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.250 2.612 2.576 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.987 3.476 3.762 1.00 0.00 C ATOM 1744 C ILE B 41 -3.714 4.283 3.514 1.00 0.00 C ATOM 1745 O ILE B 41 -2.626 3.745 3.459 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.804 2.516 4.941 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -5.720 1.301 4.764 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -5.163 3.234 6.243 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -7.179 1.762 4.737 1.00 0.00 C ATOM 0 H ILE B 41 -4.440 2.101 2.227 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.795 4.181 3.958 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.766 2.186 4.978 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -5.475 0.779 3.839 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -5.566 0.594 5.579 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -5.033 2.551 7.083 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.512 4.098 6.374 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -6.201 3.565 6.202 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -7.831 0.898 4.611 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -7.419 2.264 5.674 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -7.327 2.452 3.907 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.843 5.565 3.331 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.642 6.398 3.049 1.00 0.00 C ATOM 1763 C ALA B 42 -2.422 7.451 4.136 1.00 0.00 C ATOM 1764 O ALA B 42 -3.350 8.077 4.611 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.960 7.074 1.719 1.00 0.00 C ATOM 0 H ALA B 42 -4.727 6.073 3.364 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.731 5.800 3.019 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -2.127 7.713 1.427 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -3.120 6.314 0.954 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.861 7.678 1.824 1.00 0.00 H new ATOM 1771 N THR B 43 -1.191 7.665 4.508 1.00 0.00 N ATOM 1772 CA THR B 43 -0.883 8.695 5.539 1.00 0.00 C ATOM 1773 C THR B 43 -0.181 9.872 4.867 1.00 0.00 C ATOM 1774 O THR B 43 0.460 9.718 3.847 1.00 0.00 O ATOM 1775 CB THR B 43 0.056 8.010 6.535 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.651 6.993 7.229 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.582 9.045 7.536 1.00 0.00 C ATOM 0 H THR B 43 -0.380 7.168 4.140 1.00 0.00 H new ATOM 0 HA THR B 43 -1.776 9.074 6.036 1.00 0.00 H new ATOM 0 HB THR B 43 0.895 7.566 5.999 1.00 0.00 H new ATOM 0 HG1 THR B 43 -0.091 6.640 7.951 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.251 8.558 8.246 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.125 9.824 7.002 1.00 0.00 H new ATOM 0 HG23 THR B 43 -0.256 9.490 8.073 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.310 11.046 5.409 1.00 0.00 N ATOM 1786 CA LEU B 44 0.333 12.224 4.770 1.00 0.00 C ATOM 1787 C LEU B 44 1.515 12.725 5.596 1.00 0.00 C ATOM 1788 O LEU B 44 1.784 12.243 6.679 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.770 13.266 4.740 1.00 0.00 C ATOM 1790 CG LEU B 44 -1.964 12.707 3.974 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.113 13.707 4.039 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -1.564 12.471 2.516 1.00 0.00 C ATOM 0 H LEU B 44 -0.831 11.242 6.264 1.00 0.00 H new ATOM 0 HA LEU B 44 0.733 11.993 3.783 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.065 13.530 5.755 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.412 14.179 4.264 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.280 11.763 4.417 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.970 13.313 3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.392 13.874 5.079 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.800 14.650 3.591 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.415 12.071 1.965 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.252 13.414 2.067 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.739 11.759 2.476 1.00 0.00 H new ATOM 1804 N LYS B 45 2.224 13.698 5.088 1.00 0.00 N ATOM 1805 CA LYS B 45 3.390 14.239 5.837 1.00 0.00 C ATOM 1806 C LYS B 45 2.929 15.310 6.825 1.00 0.00 C ATOM 1807 O LYS B 45 2.508 16.384 6.442 1.00 0.00 O ATOM 1808 CB LYS B 45 4.300 14.849 4.771 1.00 0.00 C ATOM 1809 CG LYS B 45 5.556 13.991 4.624 1.00 0.00 C ATOM 1810 CD LYS B 45 6.308 14.399 3.355 1.00 0.00 C ATOM 1811 CE LYS B 45 7.035 13.184 2.777 1.00 0.00 C ATOM 1812 NZ LYS B 45 7.828 12.633 3.912 1.00 0.00 N ATOM 0 H LYS B 45 2.044 14.140 4.186 1.00 0.00 H new ATOM 0 HA LYS B 45 3.902 13.470 6.416 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.773 14.909 3.818 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.572 15.867 5.049 1.00 0.00 H new ATOM 0 HG2 LYS B 45 6.198 14.115 5.496 1.00 0.00 H new ATOM 0 HG3 LYS B 45 5.285 12.936 4.576 1.00 0.00 H new ATOM 0 HD2 LYS B 45 5.611 14.802 2.620 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.023 15.189 3.582 1.00 0.00 H new ATOM 0 HE2 LYS B 45 6.329 12.447 2.394 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.680 13.469 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 8.712 12.221 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.050 13.396 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 7.276 11.897 4.396 1.00 0.00 H new ATOM 1826 N GLY B 46 3.003 15.026 8.095 1.00 0.00 N ATOM 1827 CA GLY B 46 2.568 16.023 9.108 1.00 0.00 C ATOM 1828 C GLY B 46 1.844 15.309 10.250 1.00 0.00 C ATOM 1829 O GLY B 46 1.974 15.672 11.401 1.00 0.00 O ATOM 0 H GLY B 46 3.347 14.144 8.475 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.431 16.565 9.494 1.00 0.00 H new ATOM 0 HA3 GLY B 46 1.908 16.759 8.649 1.00 0.00 H new ATOM 1833 N GLY B 47 1.081 14.295 9.941 1.00 0.00 N ATOM 1834 CA GLY B 47 0.352 13.565 11.011 1.00 0.00 C ATOM 1835 C GLY B 47 -1.141 13.567 10.693 1.00 0.00 C ATOM 1836 O GLY B 47 -1.947 14.090 11.435 1.00 0.00 O ATOM 0 H GLY B 47 0.933 13.943 8.995 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.719 12.541 11.084 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.531 14.038 11.977 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.507 12.983 9.593 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.939 12.937 9.204 1.00 0.00 C ATOM 1842 C GLN B 48 -3.133 11.869 8.130 1.00 0.00 C ATOM 1843 O GLN B 48 -2.862 12.079 6.964 1.00 0.00 O ATOM 1844 CB GLN B 48 -3.247 14.325 8.648 1.00 0.00 C ATOM 1845 CG GLN B 48 -2.450 14.528 7.364 1.00 0.00 C ATOM 1846 CD GLN B 48 -1.884 15.948 7.327 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -0.811 16.174 6.805 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -2.566 16.924 7.863 1.00 0.00 N ATOM 0 H GLN B 48 -0.869 12.530 8.939 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.596 12.688 10.037 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -4.314 14.424 8.449 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -2.987 15.091 9.379 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -1.639 13.802 7.309 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.089 14.358 6.497 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -3.467 16.736 8.302 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -2.197 17.875 7.843 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.578 10.717 8.523 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.776 9.616 7.543 1.00 0.00 C ATOM 1859 C LYS B 49 -5.260 9.360 7.315 1.00 0.00 C ATOM 1860 O LYS B 49 -6.115 9.924 7.968 1.00 0.00 O ATOM 1861 CB LYS B 49 -3.123 8.400 8.194 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.494 7.122 7.437 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.802 5.925 8.092 1.00 0.00 C ATOM 1864 CE LYS B 49 -3.809 5.157 8.949 1.00 0.00 C ATOM 1865 NZ LYS B 49 -2.983 4.250 9.794 1.00 0.00 N ATOM 0 H LYS B 49 -3.816 10.485 9.487 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.346 9.850 6.569 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -2.040 8.523 8.203 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.443 8.320 9.233 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.575 6.981 7.446 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -3.192 7.204 6.393 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.385 5.270 7.327 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -1.970 6.265 8.708 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.404 5.835 9.562 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.506 4.593 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.604 3.689 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.433 3.612 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.334 4.815 10.378 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.559 8.511 6.386 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.986 8.193 6.085 1.00 0.00 C ATOM 1881 C VAL B 50 -7.070 6.996 5.131 1.00 0.00 C ATOM 1882 O VAL B 50 -6.113 6.269 4.948 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.537 9.461 5.424 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.228 9.443 3.925 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -9.051 9.527 5.633 1.00 0.00 C ATOM 0 H VAL B 50 -4.876 8.015 5.813 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.552 7.922 6.976 1.00 0.00 H new ATOM 0 HB VAL B 50 -7.067 10.335 5.875 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -7.622 10.347 3.461 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -6.149 9.400 3.776 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.692 8.569 3.468 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -9.444 10.429 5.163 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -9.519 8.651 5.184 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -9.270 9.549 6.700 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.205 6.785 4.523 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.346 5.637 3.585 1.00 0.00 C ATOM 1897 C CYS B 51 -8.452 6.147 2.149 1.00 0.00 C ATOM 1898 O CYS B 51 -8.946 7.228 1.898 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.636 4.939 4.009 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.309 3.893 5.450 1.00 0.00 S ATOM 0 H CYS B 51 -9.041 7.359 4.636 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.491 4.962 3.619 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.400 5.678 4.248 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -10.022 4.335 3.188 1.00 0.00 H new ATOM 0 HG CYS B 51 -10.407 3.299 5.814 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.970 5.387 1.206 1.00 0.00 N ATOM 1906 CA LEU B 52 -8.018 5.831 -0.199 1.00 0.00 C ATOM 1907 C LEU B 52 -9.022 5.001 -1.002 1.00 0.00 C ATOM 1908 O LEU B 52 -9.465 3.951 -0.573 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.600 5.585 -0.688 1.00 0.00 C ATOM 1910 CG LEU B 52 -5.967 6.910 -1.101 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.447 6.810 -0.970 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.335 7.226 -2.551 1.00 0.00 C ATOM 0 H LEU B 52 -7.544 4.473 1.357 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.337 6.867 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.009 5.117 0.099 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.610 4.896 -1.532 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.337 7.705 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -3.993 7.756 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.185 6.589 0.065 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -4.078 6.014 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.881 8.173 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -5.968 6.432 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.419 7.299 -2.644 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.376 5.481 -2.166 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.350 4.761 -3.039 1.00 0.00 C ATOM 1926 C ASP B 53 -10.027 3.262 -3.102 1.00 0.00 C ATOM 1927 O ASP B 53 -9.283 2.752 -2.291 1.00 0.00 O ATOM 1928 CB ASP B 53 -10.170 5.413 -4.411 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.526 5.889 -4.937 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.453 5.960 -4.148 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.613 6.175 -6.120 1.00 0.00 O ATOM 0 H ASP B 53 -9.025 6.356 -2.554 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.373 4.832 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.482 6.255 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.728 4.701 -5.108 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.603 2.597 -4.071 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.371 1.147 -4.228 1.00 0.00 C ATOM 1938 C PRO B 54 -9.066 0.925 -4.984 1.00 0.00 C ATOM 1939 O PRO B 54 -9.059 0.691 -6.175 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.572 0.683 -5.044 1.00 0.00 C ATOM 1941 CG PRO B 54 -12.047 1.893 -5.796 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.503 3.124 -5.106 1.00 0.00 C ATOM 0 HA PRO B 54 -10.280 0.606 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.294 -0.119 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.357 0.292 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.706 1.855 -6.831 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.136 1.922 -5.821 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.970 3.768 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.304 3.721 -4.669 1.00 0.00 H new ATOM 1950 N GLU B 55 -7.956 1.032 -4.308 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.653 0.870 -5.005 1.00 0.00 C ATOM 1952 C GLU B 55 -6.483 2.053 -5.952 1.00 0.00 C ATOM 1953 O GLU B 55 -5.713 2.013 -6.890 1.00 0.00 O ATOM 1954 CB GLU B 55 -6.763 -0.444 -5.784 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.456 -1.501 -4.919 1.00 0.00 C ATOM 1956 CD GLU B 55 -8.733 -1.974 -5.615 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -8.625 -2.792 -6.514 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -9.798 -1.512 -5.238 1.00 0.00 O ATOM 0 H GLU B 55 -7.896 1.224 -3.308 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.798 0.843 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.326 -0.287 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -5.771 -0.790 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -6.787 -2.345 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.695 -1.085 -3.940 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.222 3.106 -5.711 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.137 4.297 -6.595 1.00 0.00 C ATOM 1967 C ALA B 56 -7.060 3.836 -8.050 1.00 0.00 C ATOM 1968 O ALA B 56 -6.038 3.967 -8.689 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.858 5.026 -6.172 1.00 0.00 C ATOM 0 H ALA B 56 -7.881 3.188 -4.937 1.00 0.00 H new ATOM 0 HA ALA B 56 -8.003 4.953 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.729 5.919 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.932 5.312 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -5.001 4.366 -6.308 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.153 3.298 -8.521 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.218 2.800 -9.914 1.00 0.00 C ATOM 1977 C PRO B 57 -8.329 3.980 -10.874 1.00 0.00 C ATOM 1978 O PRO B 57 -7.376 4.349 -11.531 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.482 1.947 -9.936 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.338 2.482 -8.831 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.423 3.114 -7.808 1.00 0.00 C ATOM 0 HA PRO B 57 -7.337 2.235 -10.219 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.990 2.021 -10.898 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.249 0.894 -9.778 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.046 3.216 -9.216 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.923 1.682 -8.378 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.821 4.064 -7.452 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.300 2.473 -6.935 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.473 4.594 -10.947 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.609 5.764 -11.850 1.00 0.00 C ATOM 1991 C LEU B 58 -8.460 6.729 -11.567 1.00 0.00 C ATOM 1992 O LEU B 58 -7.881 7.307 -12.465 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.954 6.397 -11.488 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.842 6.453 -12.732 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -13.303 6.609 -12.310 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -11.431 7.648 -13.596 1.00 0.00 C ATOM 0 H LEU B 58 -10.312 4.339 -10.426 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.573 5.500 -12.907 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -11.442 5.817 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.801 7.401 -11.092 1.00 0.00 H new ATOM 0 HG LEU B 58 -11.726 5.532 -13.303 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -13.936 6.649 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -13.596 5.760 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -13.420 7.530 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -12.063 7.690 -14.483 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.548 8.568 -13.024 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -10.389 7.538 -13.897 1.00 0.00 H new ATOM 2008 N VAL B 59 -8.119 6.898 -10.315 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.999 7.816 -9.965 1.00 0.00 C ATOM 2010 C VAL B 59 -5.671 7.054 -9.922 1.00 0.00 C ATOM 2011 O VAL B 59 -4.639 7.604 -9.589 1.00 0.00 O ATOM 2012 CB VAL B 59 -7.350 8.354 -8.584 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -6.261 9.324 -8.131 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -8.692 9.086 -8.654 1.00 0.00 C ATOM 0 H VAL B 59 -8.568 6.440 -9.522 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.878 8.613 -10.699 1.00 0.00 H new ATOM 0 HB VAL B 59 -7.422 7.530 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -6.508 9.712 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -5.305 8.803 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -6.192 10.150 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.947 9.473 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.619 9.913 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -9.467 8.394 -8.984 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.685 5.790 -10.250 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.422 4.997 -10.219 1.00 0.00 C ATOM 2026 C GLN B 60 -3.306 5.756 -10.927 1.00 0.00 C ATOM 2027 O GLN B 60 -2.195 5.837 -10.445 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.742 3.692 -10.951 1.00 0.00 C ATOM 2029 CG GLN B 60 -3.796 2.588 -10.469 1.00 0.00 C ATOM 2030 CD GLN B 60 -4.079 2.267 -8.996 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -3.949 3.119 -8.140 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.454 1.062 -8.662 1.00 0.00 N ATOM 0 H GLN B 60 -6.516 5.273 -10.538 1.00 0.00 H new ATOM 0 HA GLN B 60 -4.080 4.810 -9.201 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.777 3.404 -10.767 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.637 3.831 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -3.927 1.693 -11.077 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -2.760 2.906 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -4.564 0.345 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.637 0.838 -7.684 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.593 6.321 -12.063 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.539 7.086 -12.786 1.00 0.00 C ATOM 2043 C LYS B 61 -1.818 7.992 -11.791 1.00 0.00 C ATOM 2044 O LYS B 61 -0.608 8.105 -11.794 1.00 0.00 O ATOM 2045 CB LYS B 61 -3.286 7.911 -13.835 1.00 0.00 C ATOM 2046 CG LYS B 61 -2.332 8.268 -14.978 1.00 0.00 C ATOM 2047 CD LYS B 61 -2.672 9.661 -15.511 1.00 0.00 C ATOM 2048 CE LYS B 61 -4.117 9.677 -16.015 1.00 0.00 C ATOM 2049 NZ LYS B 61 -4.022 9.364 -17.468 1.00 0.00 N ATOM 0 H LYS B 61 -4.504 6.288 -12.521 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.791 6.446 -13.253 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -4.136 7.347 -14.219 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -3.685 8.819 -13.383 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -1.301 8.244 -14.626 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -2.414 7.531 -15.777 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -2.542 10.404 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -1.991 9.929 -16.319 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -4.726 8.940 -15.491 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -4.582 10.649 -15.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -4.975 9.357 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -3.442 10.086 -17.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -3.582 8.430 -17.594 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.559 8.617 -10.922 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.937 9.496 -9.897 1.00 0.00 C ATOM 2065 C ILE B 62 -1.193 8.620 -8.887 1.00 0.00 C ATOM 2066 O ILE B 62 -0.215 9.028 -8.292 1.00 0.00 O ATOM 2067 CB ILE B 62 -3.116 10.232 -9.253 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.311 11.581 -9.949 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -2.839 10.466 -7.768 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -4.408 12.370 -9.234 1.00 0.00 C ATOM 0 H ILE B 62 -3.576 8.556 -10.878 1.00 0.00 H new ATOM 0 HA ILE B 62 -1.212 10.202 -10.301 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.016 9.626 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.378 12.145 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.581 11.427 -10.994 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -3.683 10.990 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -2.699 9.507 -7.268 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.937 11.068 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -4.547 13.331 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -5.341 11.807 -9.266 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -4.119 12.536 -8.196 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.636 7.403 -8.717 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.944 6.481 -7.783 1.00 0.00 C ATOM 2084 C ILE B 63 0.335 6.001 -8.451 1.00 0.00 C ATOM 2085 O ILE B 63 1.418 6.136 -7.919 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.934 5.333 -7.565 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.531 5.451 -6.165 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -1.227 3.986 -7.714 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -3.063 6.869 -5.979 1.00 0.00 C ATOM 0 H ILE B 63 -2.451 7.010 -9.189 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.665 6.936 -6.833 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.726 5.393 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.334 4.726 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.775 5.229 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.943 3.180 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.805 3.906 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.428 3.911 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.493 6.968 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.247 7.582 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.830 7.071 -6.727 1.00 0.00 H new ATOM 2101 N GLN B 64 0.221 5.481 -9.637 1.00 0.00 N ATOM 2102 CA GLN B 64 1.445 5.039 -10.352 1.00 0.00 C ATOM 2103 C GLN B 64 2.431 6.200 -10.318 1.00 0.00 C ATOM 2104 O GLN B 64 3.631 6.023 -10.350 1.00 0.00 O ATOM 2105 CB GLN B 64 0.998 4.737 -11.784 1.00 0.00 C ATOM 2106 CG GLN B 64 1.158 3.241 -12.065 1.00 0.00 C ATOM 2107 CD GLN B 64 0.524 2.904 -13.415 1.00 0.00 C ATOM 2108 OE1 GLN B 64 -0.392 3.570 -13.853 1.00 0.00 O ATOM 2109 NE2 GLN B 64 0.979 1.889 -14.100 1.00 0.00 N ATOM 0 H GLN B 64 -0.657 5.344 -10.138 1.00 0.00 H new ATOM 0 HA GLN B 64 1.922 4.163 -9.913 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -0.042 5.034 -11.922 1.00 0.00 H new ATOM 0 HB3 GLN B 64 1.592 5.316 -12.491 1.00 0.00 H new ATOM 0 HG2 GLN B 64 2.214 2.972 -12.070 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.685 2.659 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN B 64 1.748 1.329 -13.732 1.00 0.00 H new ATOM 0 HE22 GLN B 64 0.565 1.656 -15.003 1.00 0.00 H new ATOM 2118 N LYS B 65 1.912 7.397 -10.220 1.00 0.00 N ATOM 2119 CA LYS B 65 2.791 8.591 -10.143 1.00 0.00 C ATOM 2120 C LYS B 65 3.464 8.614 -8.774 1.00 0.00 C ATOM 2121 O LYS B 65 4.604 9.008 -8.631 1.00 0.00 O ATOM 2122 CB LYS B 65 1.854 9.789 -10.306 1.00 0.00 C ATOM 2123 CG LYS B 65 2.511 10.833 -11.210 1.00 0.00 C ATOM 2124 CD LYS B 65 3.367 11.777 -10.364 1.00 0.00 C ATOM 2125 CE LYS B 65 2.459 12.663 -9.508 1.00 0.00 C ATOM 2126 NZ LYS B 65 3.388 13.481 -8.679 1.00 0.00 N ATOM 0 H LYS B 65 0.912 7.595 -10.190 1.00 0.00 H new ATOM 0 HA LYS B 65 3.574 8.597 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS B 65 0.906 9.466 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.631 10.225 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS B 65 3.128 10.341 -11.962 1.00 0.00 H new ATOM 0 HG3 LYS B 65 1.748 11.398 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS B 65 4.038 11.202 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS B 65 3.992 12.395 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS B 65 1.825 13.295 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS B 65 1.797 12.063 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 2.838 14.115 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 3.974 12.853 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 4.001 14.047 -9.300 1.00 0.00 H new ATOM 2140 N ILE B 66 2.761 8.171 -7.766 1.00 0.00 N ATOM 2141 CA ILE B 66 3.347 8.140 -6.399 1.00 0.00 C ATOM 2142 C ILE B 66 4.289 6.939 -6.287 1.00 0.00 C ATOM 2143 O ILE B 66 5.296 6.981 -5.610 1.00 0.00 O ATOM 2144 CB ILE B 66 2.149 7.999 -5.453 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.396 8.838 -4.196 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.959 6.531 -5.055 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.511 8.198 -3.364 1.00 0.00 C ATOM 0 H ILE B 66 1.803 7.828 -7.833 1.00 0.00 H new ATOM 0 HA ILE B 66 3.929 9.030 -6.161 1.00 0.00 H new ATOM 0 HB ILE B 66 1.250 8.348 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.673 9.855 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.482 8.907 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE B 66 1.105 6.444 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.781 5.932 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.856 6.172 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.686 8.796 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.216 7.189 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.426 8.153 -3.955 1.00 0.00 H new ATOM 2159 N LEU B 67 3.964 5.874 -6.964 1.00 0.00 N ATOM 2160 CA LEU B 67 4.829 4.666 -6.927 1.00 0.00 C ATOM 2161 C LEU B 67 6.069 4.898 -7.789 1.00 0.00 C ATOM 2162 O LEU B 67 7.144 4.415 -7.496 1.00 0.00 O ATOM 2163 CB LEU B 67 3.963 3.551 -7.518 1.00 0.00 C ATOM 2164 CG LEU B 67 3.184 2.863 -6.398 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.857 3.589 -6.183 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.912 1.408 -6.787 1.00 0.00 C ATOM 0 H LEU B 67 3.130 5.789 -7.545 1.00 0.00 H new ATOM 0 HA LEU B 67 5.175 4.423 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.274 3.963 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.589 2.826 -8.038 1.00 0.00 H new ATOM 0 HG LEU B 67 3.767 2.890 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.300 3.100 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.050 4.626 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.273 3.560 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.356 0.916 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.327 1.380 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.858 0.890 -6.943 1.00 0.00 H new ATOM 2178 N ASN B 68 5.922 5.637 -8.852 1.00 0.00 N ATOM 2179 CA ASN B 68 7.083 5.908 -9.741 1.00 0.00 C ATOM 2180 C ASN B 68 7.811 7.180 -9.293 1.00 0.00 C ATOM 2181 O ASN B 68 8.764 7.610 -9.913 1.00 0.00 O ATOM 2182 CB ASN B 68 6.480 6.093 -11.131 1.00 0.00 C ATOM 2183 CG ASN B 68 7.351 5.378 -12.164 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.092 6.009 -12.892 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.294 4.077 -12.260 1.00 0.00 N ATOM 0 H ASN B 68 5.044 6.066 -9.144 1.00 0.00 H new ATOM 0 HA ASN B 68 7.817 5.102 -9.719 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.466 5.693 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.410 7.154 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.871 3.590 -12.946 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.672 3.547 -11.649 1.00 0.00 H new ATOM 2192 N LYS B 69 7.372 7.787 -8.222 1.00 0.00 N ATOM 2193 CA LYS B 69 8.045 9.030 -7.744 1.00 0.00 C ATOM 2194 C LYS B 69 9.298 8.682 -6.946 1.00 0.00 C ATOM 2195 O LYS B 69 9.891 9.518 -6.294 1.00 0.00 O ATOM 2196 CB LYS B 69 7.015 9.741 -6.863 1.00 0.00 C ATOM 2197 CG LYS B 69 6.875 8.994 -5.535 1.00 0.00 C ATOM 2198 CD LYS B 69 7.710 9.696 -4.463 1.00 0.00 C ATOM 2199 CE LYS B 69 6.789 10.223 -3.361 1.00 0.00 C ATOM 2200 NZ LYS B 69 7.662 11.069 -2.500 1.00 0.00 N ATOM 0 H LYS B 69 6.580 7.477 -7.660 1.00 0.00 H new ATOM 0 HA LYS B 69 8.367 9.664 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS B 69 7.324 10.770 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS B 69 6.052 9.782 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS B 69 5.828 8.962 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS B 69 7.205 7.962 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS B 69 8.438 9.002 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS B 69 8.272 10.518 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS B 69 5.966 10.803 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS B 69 6.347 9.405 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 7.100 11.466 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 8.433 10.489 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 8.063 11.843 -3.067 1.00 0.00 H new