USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 465 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 483 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 486 THR OG1 : rot -138:sc= 0.549 USER MOD Set 2.1: A 460 CYS SG : rot 57:sc= 1.09 USER MOD Set 2.2: A 469 CYS SG : rot 120:sc= 0.619 USER MOD Set 2.3: A 471 ASN : amide:sc= -0.0023 X(o=0.65,f=0.76) USER MOD Set 2.4: A 475 CYS SG : rot 141:sc= -0.938 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.117 X(o=0.65,f=0.76) USER MOD Set 3.1: A 465 THR OG1 : rot -36:sc= 0.107 USER MOD Set 3.2: A 466 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 437 CYS SG : rot 140:sc= -0.444 USER MOD Set 4.2: A 445 CYS SG : rot -83:sc= 0.0906 USER MOD Set 4.3: A 451 CYS SG : rot 170:sc= 1.49 USER MOD Set 4.4: A 455 HIS : no HE2:sc= -2.99! C(o=-1.9!,f=-5.9!) USER MOD Single : A 433 LYS NZ :NH3+ 161:sc=-0.00839 (180deg=-0.222) USER MOD Single : A 438 LYS NZ :NH3+ -141:sc= 0.181 (180deg=-0.00889) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.6!) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -179:sc= 0 (180deg=-0.00271) USER MOD Single : A 461 LYS NZ :NH3+ 173:sc= -0.602 (180deg=-0.725) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-3.1!) USER MOD Single : A 468 ASN : amide:sc= -0.226 K(o=-0.23,f=-3.5!) USER MOD Single : A 476 MET CE :methyl 179:sc= -1.89 (180deg=-1.96) USER MOD Single : A 478 SER OG : rot 67:sc= -0.196 USER MOD Single : A 492 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0543) USER MOD Single : A 493 MET CE :methyl 156:sc= 0 (180deg=-0.0923) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.464 -10.322 -12.372 1.00 0.00 N ATOM 137 CA LYS A 433 9.658 -9.082 -11.629 1.00 0.00 C ATOM 138 C LYS A 433 9.215 -9.243 -10.178 1.00 0.00 C ATOM 139 O LYS A 433 8.337 -10.051 -9.873 1.00 0.00 O ATOM 140 CB LYS A 433 8.879 -7.942 -12.288 1.00 0.00 C ATOM 141 CG LYS A 433 9.681 -7.178 -13.327 1.00 0.00 C ATOM 142 CD LYS A 433 9.251 -5.722 -13.404 1.00 0.00 C ATOM 143 CE LYS A 433 10.047 -4.854 -12.443 1.00 0.00 C ATOM 144 NZ LYS A 433 11.459 -4.687 -12.886 1.00 0.00 N ATOM 0 HA LYS A 433 10.721 -8.842 -11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.985 -8.349 -12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.545 -7.248 -11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.742 -7.233 -13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 433 9.555 -7.648 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 433 9.384 -5.356 -14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 433 8.189 -5.643 -13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.574 -3.875 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 433 10.029 -5.301 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 11.876 -3.860 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 12.003 -5.538 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 11.485 -4.547 -13.916 1.00 0.00 H new ATOM 158 N ARG A 434 9.827 -8.469 -9.288 1.00 0.00 N ATOM 159 CA ARG A 434 9.495 -8.526 -7.870 1.00 0.00 C ATOM 160 C ARG A 434 9.082 -7.151 -7.352 1.00 0.00 C ATOM 161 O ARG A 434 9.535 -6.714 -6.296 1.00 0.00 O ATOM 162 CB ARG A 434 10.687 -9.048 -7.066 1.00 0.00 C ATOM 163 CG ARG A 434 10.734 -10.564 -6.959 1.00 0.00 C ATOM 164 CD ARG A 434 11.140 -11.203 -8.278 1.00 0.00 C ATOM 165 NE ARG A 434 11.329 -12.645 -8.152 1.00 0.00 N ATOM 166 CZ ARG A 434 10.332 -13.504 -7.969 1.00 0.00 C ATOM 167 NH1 ARG A 434 9.083 -13.067 -7.892 1.00 0.00 N ATOM 168 NH2 ARG A 434 10.584 -14.802 -7.864 1.00 0.00 N ATOM 0 H ARG A 434 10.555 -7.795 -9.524 1.00 0.00 H new ATOM 0 HA ARG A 434 8.655 -9.209 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.609 -8.696 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 434 10.652 -8.623 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.440 -10.853 -6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 434 9.756 -10.939 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 434 10.376 -11.002 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.064 -10.746 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 434 12.279 -13.013 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 434 8.886 -12.070 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 434 8.319 -13.728 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 434 11.544 -15.142 -7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 434 9.818 -15.461 -7.724 1.00 0.00 H new ATOM 182 N GLU A 435 8.219 -6.476 -8.105 1.00 0.00 N ATOM 183 CA GLU A 435 7.746 -5.151 -7.723 1.00 0.00 C ATOM 184 C GLU A 435 6.251 -5.173 -7.420 1.00 0.00 C ATOM 185 O GLU A 435 5.552 -6.131 -7.754 1.00 0.00 O ATOM 186 CB GLU A 435 8.038 -4.141 -8.834 1.00 0.00 C ATOM 187 CG GLU A 435 9.503 -3.747 -8.930 1.00 0.00 C ATOM 188 CD GLU A 435 9.848 -2.565 -8.046 1.00 0.00 C ATOM 189 OE1 GLU A 435 9.092 -2.298 -7.089 1.00 0.00 O ATOM 190 OE2 GLU A 435 10.875 -1.906 -8.311 1.00 0.00 O ATOM 0 H GLU A 435 7.834 -6.825 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 435 8.277 -4.850 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 435 7.720 -4.561 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.440 -3.245 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.123 -4.598 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.743 -3.504 -9.965 1.00 0.00 H new ATOM 197 N LEU A 436 5.766 -4.111 -6.785 1.00 0.00 N ATOM 198 CA LEU A 436 4.353 -4.008 -6.437 1.00 0.00 C ATOM 199 C LEU A 436 3.501 -3.773 -7.680 1.00 0.00 C ATOM 200 O LEU A 436 3.623 -2.744 -8.344 1.00 0.00 O ATOM 201 CB LEU A 436 4.137 -2.872 -5.434 1.00 0.00 C ATOM 202 CG LEU A 436 2.685 -2.581 -5.054 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.144 -3.670 -4.141 1.00 0.00 C ATOM 204 CD2 LEU A 436 2.573 -1.218 -4.386 1.00 0.00 C ATOM 0 H LEU A 436 6.330 -3.310 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 436 4.046 -4.950 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.690 -3.107 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 436 4.573 -1.962 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 436 2.086 -2.568 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.109 -3.446 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.189 -4.631 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 436 2.745 -3.715 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.533 -1.027 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.185 -1.203 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 436 2.921 -0.446 -5.073 1.00 0.00 H new ATOM 216 N CYS A 437 2.636 -4.734 -7.988 1.00 0.00 N ATOM 217 CA CYS A 437 1.762 -4.632 -9.150 1.00 0.00 C ATOM 218 C CYS A 437 0.849 -3.415 -9.039 1.00 0.00 C ATOM 219 O CYS A 437 0.130 -3.251 -8.052 1.00 0.00 O ATOM 220 CB CYS A 437 0.921 -5.902 -9.294 1.00 0.00 C ATOM 221 SG CYS A 437 0.160 -6.108 -10.936 1.00 0.00 S ATOM 0 H CYS A 437 2.522 -5.592 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 437 2.388 -4.515 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.550 -6.767 -9.086 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.134 -5.891 -8.540 1.00 0.00 H new ATOM 0 HG CYS A 437 0.235 -7.355 -11.296 1.00 0.00 H new ATOM 226 N LYS A 438 0.882 -2.562 -10.057 1.00 0.00 N ATOM 227 CA LYS A 438 0.057 -1.360 -10.077 1.00 0.00 C ATOM 228 C LYS A 438 -1.423 -1.717 -10.161 1.00 0.00 C ATOM 229 O LYS A 438 -2.287 -0.840 -10.118 1.00 0.00 O ATOM 230 CB LYS A 438 0.446 -0.469 -11.259 1.00 0.00 C ATOM 231 CG LYS A 438 0.353 -1.169 -12.604 1.00 0.00 C ATOM 232 CD LYS A 438 1.055 -0.377 -13.694 1.00 0.00 C ATOM 233 CE LYS A 438 0.685 -0.886 -15.079 1.00 0.00 C ATOM 234 NZ LYS A 438 1.152 -2.283 -15.299 1.00 0.00 N ATOM 0 H LYS A 438 1.472 -2.681 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 438 0.229 -0.816 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 438 -0.200 0.409 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.466 -0.112 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 438 0.798 -2.161 -12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 438 -0.695 -1.308 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 438 0.788 0.676 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 438 2.134 -0.445 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 438 -0.397 -0.840 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 438 1.122 -0.233 -15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 1.500 -2.383 -16.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 1.920 -2.501 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 0.362 -2.942 -15.144 1.00 0.00 H new ATOM 248 N PHE A 439 -1.710 -3.009 -10.279 1.00 0.00 N ATOM 249 CA PHE A 439 -3.087 -3.482 -10.368 1.00 0.00 C ATOM 250 C PHE A 439 -3.569 -4.010 -9.020 1.00 0.00 C ATOM 251 O PHE A 439 -4.590 -3.565 -8.496 1.00 0.00 O ATOM 252 CB PHE A 439 -3.204 -4.577 -11.430 1.00 0.00 C ATOM 253 CG PHE A 439 -3.138 -4.057 -12.838 1.00 0.00 C ATOM 254 CD1 PHE A 439 -4.175 -3.302 -13.361 1.00 0.00 C ATOM 255 CD2 PHE A 439 -2.039 -4.324 -13.638 1.00 0.00 C ATOM 256 CE1 PHE A 439 -4.118 -2.821 -14.655 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.976 -3.846 -14.933 1.00 0.00 C ATOM 258 CZ PHE A 439 -3.017 -3.095 -15.443 1.00 0.00 C ATOM 0 H PHE A 439 -1.007 -3.748 -10.315 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.717 -2.640 -10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.404 -5.303 -11.282 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -4.146 -5.108 -11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -5.039 -3.087 -12.750 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.223 -4.912 -13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.933 -2.232 -15.050 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -1.113 -4.060 -15.546 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.970 -2.723 -16.456 1.00 0.00 H new ATOM 268 N TYR A 440 -2.827 -4.963 -8.466 1.00 0.00 N ATOM 269 CA TYR A 440 -3.179 -5.555 -7.181 1.00 0.00 C ATOM 270 C TYR A 440 -3.599 -4.480 -6.183 1.00 0.00 C ATOM 271 O TYR A 440 -4.498 -4.692 -5.368 1.00 0.00 O ATOM 272 CB TYR A 440 -2.000 -6.353 -6.623 1.00 0.00 C ATOM 273 CG TYR A 440 -2.380 -7.287 -5.496 1.00 0.00 C ATOM 274 CD1 TYR A 440 -3.455 -8.158 -5.622 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.664 -7.299 -4.306 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.807 -9.012 -4.595 1.00 0.00 C ATOM 277 CE2 TYR A 440 -2.007 -8.151 -3.274 1.00 0.00 C ATOM 278 CZ TYR A 440 -3.079 -9.006 -3.424 1.00 0.00 C ATOM 279 OH TYR A 440 -3.425 -9.855 -2.398 1.00 0.00 O ATOM 0 H TYR A 440 -1.978 -5.342 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 440 -4.022 -6.228 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.551 -6.933 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -1.238 -5.659 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -4.025 -8.168 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.824 -6.631 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.648 -9.681 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.439 -8.148 -2.355 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.811 -9.726 -1.645 1.00 0.00 H new ATOM 289 N ILE A 441 -2.942 -3.328 -6.253 1.00 0.00 N ATOM 290 CA ILE A 441 -3.246 -2.219 -5.357 1.00 0.00 C ATOM 291 C ILE A 441 -4.752 -2.029 -5.211 1.00 0.00 C ATOM 292 O ILE A 441 -5.249 -1.730 -4.124 1.00 0.00 O ATOM 293 CB ILE A 441 -2.620 -0.904 -5.856 1.00 0.00 C ATOM 294 CG1 ILE A 441 -1.105 -1.058 -6.002 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.953 0.236 -4.905 1.00 0.00 C ATOM 296 CD1 ILE A 441 -0.401 0.226 -6.383 1.00 0.00 C ATOM 0 H ILE A 441 -2.195 -3.138 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.817 -2.470 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 441 -3.038 -0.668 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 441 -0.693 -1.424 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.896 -1.815 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -2.503 1.159 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -4.035 0.357 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -2.560 0.010 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 441 0.670 0.042 -6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.786 0.582 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 441 -0.579 0.980 -5.616 1.00 0.00 H new ATOM 308 N THR A 442 -5.476 -2.206 -6.312 1.00 0.00 N ATOM 309 CA THR A 442 -6.925 -2.055 -6.307 1.00 0.00 C ATOM 310 C THR A 442 -7.619 -3.410 -6.231 1.00 0.00 C ATOM 311 O THR A 442 -8.671 -3.546 -5.607 1.00 0.00 O ATOM 312 CB THR A 442 -7.417 -1.310 -7.562 1.00 0.00 C ATOM 313 OG1 THR A 442 -8.807 -1.576 -7.777 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.619 -1.729 -8.788 1.00 0.00 C ATOM 0 H THR A 442 -5.081 -2.454 -7.219 1.00 0.00 H new ATOM 0 HA THR A 442 -7.178 -1.470 -5.423 1.00 0.00 H new ATOM 0 HB THR A 442 -7.273 -0.241 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 442 -9.112 -1.097 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.985 -1.190 -9.662 1.00 0.00 H new ATOM 0 HG22 THR A 442 -5.565 -1.497 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 442 -6.735 -2.801 -8.949 1.00 0.00 H new ATOM 322 N GLY A 443 -7.023 -4.412 -6.870 1.00 0.00 N ATOM 323 CA GLY A 443 -7.598 -5.745 -6.861 1.00 0.00 C ATOM 324 C GLY A 443 -7.937 -6.239 -8.253 1.00 0.00 C ATOM 325 O GLY A 443 -8.264 -7.411 -8.442 1.00 0.00 O ATOM 0 H GLY A 443 -6.152 -4.325 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.897 -6.437 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -8.500 -5.744 -6.249 1.00 0.00 H new ATOM 329 N PHE A 444 -7.860 -5.344 -9.233 1.00 0.00 N ATOM 330 CA PHE A 444 -8.164 -5.695 -10.615 1.00 0.00 C ATOM 331 C PHE A 444 -6.884 -5.944 -11.407 1.00 0.00 C ATOM 332 O PHE A 444 -6.258 -5.009 -11.907 1.00 0.00 O ATOM 333 CB PHE A 444 -8.979 -4.583 -11.278 1.00 0.00 C ATOM 334 CG PHE A 444 -9.594 -4.990 -12.587 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.797 -5.273 -13.684 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.970 -5.089 -12.720 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.361 -5.647 -14.889 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.539 -5.462 -13.923 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.733 -5.743 -15.008 1.00 0.00 C ATOM 0 H PHE A 444 -7.590 -4.370 -9.095 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.751 -6.613 -10.610 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.769 -4.267 -10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.335 -3.719 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.723 -5.201 -13.597 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.605 -4.872 -11.874 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.729 -5.864 -15.737 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.613 -5.534 -14.014 1.00 0.00 H new ATOM 0 HZ PHE A 444 -11.175 -6.037 -15.948 1.00 0.00 H new ATOM 349 N CYS A 445 -6.500 -7.211 -11.516 1.00 0.00 N ATOM 350 CA CYS A 445 -5.294 -7.585 -12.245 1.00 0.00 C ATOM 351 C CYS A 445 -5.582 -8.716 -13.229 1.00 0.00 C ATOM 352 O CYS A 445 -5.688 -9.879 -12.840 1.00 0.00 O ATOM 353 CB CYS A 445 -4.194 -8.011 -11.270 1.00 0.00 C ATOM 354 SG CYS A 445 -2.694 -8.656 -12.077 1.00 0.00 S ATOM 0 H CYS A 445 -7.007 -7.997 -11.108 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.955 -6.715 -12.807 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.922 -7.157 -10.651 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.591 -8.775 -10.602 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.867 -9.909 -12.376 1.00 0.00 H new ATOM 359 N ALA A 446 -5.708 -8.365 -14.504 1.00 0.00 N ATOM 360 CA ALA A 446 -5.981 -9.350 -15.544 1.00 0.00 C ATOM 361 C ALA A 446 -5.191 -10.633 -15.306 1.00 0.00 C ATOM 362 O ALA A 446 -5.745 -11.642 -14.869 1.00 0.00 O ATOM 363 CB ALA A 446 -5.657 -8.774 -16.914 1.00 0.00 C ATOM 0 H ALA A 446 -5.625 -7.406 -14.842 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.042 -9.596 -15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.865 -9.520 -17.681 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.270 -7.890 -17.091 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.603 -8.498 -16.953 1.00 0.00 H new ATOM 369 N ARG A 447 -3.896 -10.587 -15.598 1.00 0.00 N ATOM 370 CA ARG A 447 -3.030 -11.746 -15.418 1.00 0.00 C ATOM 371 C ARG A 447 -2.865 -12.076 -13.937 1.00 0.00 C ATOM 372 O ARG A 447 -1.882 -11.684 -13.309 1.00 0.00 O ATOM 373 CB ARG A 447 -1.661 -11.490 -16.050 1.00 0.00 C ATOM 374 CG ARG A 447 -1.605 -11.815 -17.534 1.00 0.00 C ATOM 375 CD ARG A 447 -0.195 -11.665 -18.084 1.00 0.00 C ATOM 376 NE ARG A 447 -0.148 -11.864 -19.530 1.00 0.00 N ATOM 377 CZ ARG A 447 0.926 -11.616 -20.271 1.00 0.00 C ATOM 378 NH1 ARG A 447 2.036 -11.163 -19.705 1.00 0.00 N ATOM 379 NH2 ARG A 447 0.891 -11.822 -21.582 1.00 0.00 N ATOM 0 H ARG A 447 -3.423 -9.759 -15.960 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.497 -12.597 -15.913 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.394 -10.443 -15.906 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.912 -12.085 -15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -1.954 -12.835 -17.698 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.281 -11.155 -18.078 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.185 -10.672 -17.842 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.463 -12.385 -17.597 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.986 -12.212 -19.996 1.00 0.00 H new ATOM 0 HH11 ARG A 447 2.067 -11.004 -18.698 1.00 0.00 H new ATOM 0 HH12 ARG A 447 2.859 -10.973 -20.277 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.039 -12.171 -22.021 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.716 -11.631 -22.150 1.00 0.00 H new ATOM 393 N ALA A 448 -3.834 -12.799 -13.386 1.00 0.00 N ATOM 394 CA ALA A 448 -3.796 -13.183 -11.980 1.00 0.00 C ATOM 395 C ALA A 448 -2.858 -14.365 -11.760 1.00 0.00 C ATOM 396 O ALA A 448 -1.912 -14.281 -10.976 1.00 0.00 O ATOM 397 CB ALA A 448 -5.195 -13.518 -11.486 1.00 0.00 C ATOM 0 H ALA A 448 -4.655 -13.131 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.414 -12.337 -11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.151 -13.803 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.839 -12.646 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.599 -14.345 -12.070 1.00 0.00 H new ATOM 403 N GLU A 449 -3.127 -15.466 -12.455 1.00 0.00 N ATOM 404 CA GLU A 449 -2.306 -16.665 -12.333 1.00 0.00 C ATOM 405 C GLU A 449 -0.998 -16.511 -13.102 1.00 0.00 C ATOM 406 O GLU A 449 -0.151 -17.402 -13.093 1.00 0.00 O ATOM 407 CB GLU A 449 -3.071 -17.888 -12.845 1.00 0.00 C ATOM 408 CG GLU A 449 -2.404 -19.210 -12.505 1.00 0.00 C ATOM 409 CD GLU A 449 -3.093 -20.395 -13.154 1.00 0.00 C ATOM 410 OE1 GLU A 449 -2.878 -20.617 -14.363 1.00 0.00 O ATOM 411 OE2 GLU A 449 -3.847 -21.100 -12.450 1.00 0.00 O ATOM 0 H GLU A 449 -3.906 -15.552 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 449 -2.071 -16.807 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -4.076 -17.879 -12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -3.178 -17.812 -13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -1.362 -19.180 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -2.401 -19.344 -11.423 1.00 0.00 H new ATOM 418 N ASN A 450 -0.842 -15.371 -13.769 1.00 0.00 N ATOM 419 CA ASN A 450 0.362 -15.099 -14.545 1.00 0.00 C ATOM 420 C ASN A 450 0.870 -13.684 -14.284 1.00 0.00 C ATOM 421 O ASN A 450 1.353 -13.008 -15.193 1.00 0.00 O ATOM 422 CB ASN A 450 0.085 -15.286 -16.038 1.00 0.00 C ATOM 423 CG ASN A 450 0.315 -16.714 -16.495 1.00 0.00 C ATOM 424 OD1 ASN A 450 1.147 -17.429 -15.936 1.00 0.00 O ATOM 425 ND2 ASN A 450 -0.423 -17.135 -17.515 1.00 0.00 N ATOM 0 H ASN A 450 -1.534 -14.622 -13.787 1.00 0.00 H new ATOM 0 HA ASN A 450 1.132 -15.805 -14.234 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -0.945 -15.000 -16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.727 -14.616 -16.610 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -0.312 -18.086 -17.866 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -1.101 -16.507 -17.948 1.00 0.00 H new ATOM 432 N CYS A 451 0.757 -13.242 -13.036 1.00 0.00 N ATOM 433 CA CYS A 451 1.203 -11.908 -12.654 1.00 0.00 C ATOM 434 C CYS A 451 2.713 -11.882 -12.430 1.00 0.00 C ATOM 435 O CYS A 451 3.234 -12.463 -11.478 1.00 0.00 O ATOM 436 CB CYS A 451 0.481 -11.449 -11.385 1.00 0.00 C ATOM 437 SG CYS A 451 0.942 -9.776 -10.831 1.00 0.00 S ATOM 0 H CYS A 451 0.360 -13.789 -12.272 1.00 0.00 H new ATOM 0 HA CYS A 451 0.962 -11.225 -13.469 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.594 -11.478 -11.561 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.692 -12.157 -10.583 1.00 0.00 H new ATOM 0 HG CYS A 451 0.130 -9.391 -9.892 1.00 0.00 H new ATOM 442 N PRO A 452 3.433 -11.194 -13.328 1.00 0.00 N ATOM 443 CA PRO A 452 4.892 -11.075 -13.250 1.00 0.00 C ATOM 444 C PRO A 452 5.341 -10.208 -12.079 1.00 0.00 C ATOM 445 O PRO A 452 6.537 -10.042 -11.841 1.00 0.00 O ATOM 446 CB PRO A 452 5.265 -10.415 -14.580 1.00 0.00 C ATOM 447 CG PRO A 452 4.043 -9.669 -14.989 1.00 0.00 C ATOM 448 CD PRO A 452 2.877 -10.477 -14.489 1.00 0.00 C ATOM 0 HA PRO A 452 5.372 -12.040 -13.088 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.117 -9.745 -14.464 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.543 -11.159 -15.327 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.036 -8.667 -14.560 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.001 -9.553 -16.072 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.039 -9.840 -14.205 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.510 -11.166 -15.249 1.00 0.00 H new ATOM 456 N TYR A 453 4.375 -9.659 -11.352 1.00 0.00 N ATOM 457 CA TYR A 453 4.672 -8.806 -10.206 1.00 0.00 C ATOM 458 C TYR A 453 4.337 -9.516 -8.898 1.00 0.00 C ATOM 459 O TYR A 453 3.927 -10.676 -8.896 1.00 0.00 O ATOM 460 CB TYR A 453 3.890 -7.495 -10.303 1.00 0.00 C ATOM 461 CG TYR A 453 4.419 -6.552 -11.359 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.075 -6.711 -12.696 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.262 -5.501 -11.021 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.555 -5.852 -13.665 1.00 0.00 C ATOM 465 CE2 TYR A 453 5.747 -4.636 -11.983 1.00 0.00 C ATOM 466 CZ TYR A 453 5.391 -4.816 -13.304 1.00 0.00 C ATOM 467 OH TYR A 453 5.872 -3.957 -14.265 1.00 0.00 O ATOM 0 H TYR A 453 3.380 -9.789 -11.535 1.00 0.00 H new ATOM 0 HA TYR A 453 5.739 -8.586 -10.216 1.00 0.00 H new ATOM 0 HB2 TYR A 453 2.845 -7.720 -10.519 1.00 0.00 H new ATOM 0 HB3 TYR A 453 3.915 -6.994 -9.335 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.420 -7.521 -12.982 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.543 -5.357 -9.988 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.277 -5.991 -14.699 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.401 -3.824 -11.703 1.00 0.00 H new ATOM 0 HH TYR A 453 6.446 -3.283 -13.844 1.00 0.00 H new ATOM 477 N MET A 454 4.515 -8.809 -7.787 1.00 0.00 N ATOM 478 CA MET A 454 4.230 -9.370 -6.471 1.00 0.00 C ATOM 479 C MET A 454 2.875 -8.893 -5.958 1.00 0.00 C ATOM 480 O MET A 454 2.446 -7.776 -6.253 1.00 0.00 O ATOM 481 CB MET A 454 5.328 -8.983 -5.479 1.00 0.00 C ATOM 482 CG MET A 454 6.670 -9.635 -5.773 1.00 0.00 C ATOM 483 SD MET A 454 6.769 -11.327 -5.158 1.00 0.00 S ATOM 484 CE MET A 454 7.582 -11.067 -3.583 1.00 0.00 C ATOM 0 H MET A 454 4.855 -7.847 -7.771 1.00 0.00 H new ATOM 0 HA MET A 454 4.202 -10.456 -6.565 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.450 -7.900 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.012 -9.259 -4.473 1.00 0.00 H new ATOM 0 HG2 MET A 454 6.843 -9.633 -6.849 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.465 -9.041 -5.322 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.731 -12.026 -3.088 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.548 -10.589 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 454 6.962 -10.427 -2.955 1.00 0.00 H new ATOM 494 N HIS A 455 2.204 -9.745 -5.190 1.00 0.00 N ATOM 495 CA HIS A 455 0.897 -9.410 -4.637 1.00 0.00 C ATOM 496 C HIS A 455 0.909 -9.511 -3.114 1.00 0.00 C ATOM 497 O HIS A 455 0.978 -8.501 -2.415 1.00 0.00 O ATOM 498 CB HIS A 455 -0.177 -10.333 -5.212 1.00 0.00 C ATOM 499 CG HIS A 455 -0.676 -9.906 -6.558 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.717 -10.534 -7.209 1.00 0.00 N ATOM 501 CD2 HIS A 455 -0.272 -8.905 -7.375 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.931 -9.939 -8.369 1.00 0.00 C ATOM 503 NE2 HIS A 455 -1.068 -8.947 -8.494 1.00 0.00 N ATOM 0 H HIS A 455 2.544 -10.673 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 455 0.667 -8.381 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.226 -11.343 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -1.017 -10.375 -4.519 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.240 -11.333 -6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 455 0.527 -8.204 -7.183 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.684 -10.217 -9.092 1.00 0.00 H new ATOM 511 N GLY A 456 0.841 -10.739 -2.607 1.00 0.00 N ATOM 512 CA GLY A 456 0.845 -10.949 -1.171 1.00 0.00 C ATOM 513 C GLY A 456 2.239 -10.892 -0.581 1.00 0.00 C ATOM 514 O GLY A 456 2.554 -9.994 0.201 1.00 0.00 O ATOM 0 H GLY A 456 0.783 -11.591 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.221 -10.193 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.398 -11.918 -0.947 1.00 0.00 H new ATOM 518 N ASP A 457 3.077 -11.854 -0.953 1.00 0.00 N ATOM 519 CA ASP A 457 4.446 -11.910 -0.454 1.00 0.00 C ATOM 520 C ASP A 457 5.013 -10.507 -0.261 1.00 0.00 C ATOM 521 O ASP A 457 5.722 -10.241 0.709 1.00 0.00 O ATOM 522 CB ASP A 457 5.331 -12.702 -1.419 1.00 0.00 C ATOM 523 CG ASP A 457 5.128 -14.199 -1.294 1.00 0.00 C ATOM 524 OD1 ASP A 457 5.531 -14.769 -0.258 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.564 -14.801 -2.231 1.00 0.00 O ATOM 0 H ASP A 457 2.832 -12.605 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 457 4.433 -12.413 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.115 -12.393 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.377 -12.463 -1.228 1.00 0.00 H new ATOM 530 N PHE A 458 4.695 -9.613 -1.191 1.00 0.00 N ATOM 531 CA PHE A 458 5.174 -8.237 -1.125 1.00 0.00 C ATOM 532 C PHE A 458 4.899 -7.632 0.249 1.00 0.00 C ATOM 533 O PHE A 458 3.765 -7.605 0.728 1.00 0.00 O ATOM 534 CB PHE A 458 4.507 -7.390 -2.211 1.00 0.00 C ATOM 535 CG PHE A 458 5.260 -6.131 -2.536 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.431 -6.181 -3.275 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.797 -4.900 -2.103 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.127 -5.025 -3.575 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.488 -3.740 -2.400 1.00 0.00 C ATOM 540 CZ PHE A 458 6.654 -3.803 -3.138 1.00 0.00 C ATOM 0 H PHE A 458 4.108 -9.817 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 458 6.251 -8.244 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.407 -7.988 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.499 -7.128 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 458 6.804 -7.134 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.885 -4.845 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.039 -5.077 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.117 -2.786 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.195 -2.898 -3.373 1.00 0.00 H new ATOM 550 N PRO A 459 5.962 -7.133 0.898 1.00 0.00 N ATOM 551 CA PRO A 459 5.862 -6.519 2.225 1.00 0.00 C ATOM 552 C PRO A 459 5.131 -5.181 2.191 1.00 0.00 C ATOM 553 O PRO A 459 5.306 -4.390 1.263 1.00 0.00 O ATOM 554 CB PRO A 459 7.323 -6.320 2.635 1.00 0.00 C ATOM 555 CG PRO A 459 8.069 -6.232 1.349 1.00 0.00 C ATOM 556 CD PRO A 459 7.342 -7.130 0.386 1.00 0.00 C ATOM 0 HA PRO A 459 5.291 -7.137 2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.448 -5.414 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.680 -7.151 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 459 8.095 -5.206 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.103 -6.551 1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.391 -6.749 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.768 -8.133 0.372 1.00 0.00 H new ATOM 564 N CYS A 460 4.313 -4.932 3.208 1.00 0.00 N ATOM 565 CA CYS A 460 3.556 -3.689 3.295 1.00 0.00 C ATOM 566 C CYS A 460 4.489 -2.496 3.479 1.00 0.00 C ATOM 567 O CYS A 460 5.484 -2.576 4.200 1.00 0.00 O ATOM 568 CB CYS A 460 2.559 -3.755 4.454 1.00 0.00 C ATOM 569 SG CYS A 460 1.186 -2.565 4.322 1.00 0.00 S ATOM 0 H CYS A 460 4.157 -5.575 3.984 1.00 0.00 H new ATOM 0 HA CYS A 460 3.009 -3.559 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 460 2.148 -4.763 4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 460 3.092 -3.577 5.388 1.00 0.00 H new ATOM 0 HG CYS A 460 0.554 -2.754 3.202 1.00 0.00 H new ATOM 574 N LYS A 461 4.160 -1.388 2.822 1.00 0.00 N ATOM 575 CA LYS A 461 4.966 -0.177 2.913 1.00 0.00 C ATOM 576 C LYS A 461 4.696 0.559 4.222 1.00 0.00 C ATOM 577 O LYS A 461 5.569 0.652 5.085 1.00 0.00 O ATOM 578 CB LYS A 461 4.673 0.745 1.727 1.00 0.00 C ATOM 579 CG LYS A 461 5.376 2.089 1.814 1.00 0.00 C ATOM 580 CD LYS A 461 4.897 3.040 0.729 1.00 0.00 C ATOM 581 CE LYS A 461 5.303 4.475 1.026 1.00 0.00 C ATOM 582 NZ LYS A 461 6.775 4.671 0.909 1.00 0.00 N ATOM 0 H LYS A 461 3.340 -1.305 2.221 1.00 0.00 H new ATOM 0 HA LYS A 461 6.017 -0.467 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.974 0.246 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.598 0.910 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.196 2.532 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 461 6.453 1.944 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 461 5.311 2.735 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 461 3.812 2.978 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 461 4.791 5.147 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.980 4.743 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 6.999 5.682 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 7.257 4.139 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 7.098 4.328 -0.018 1.00 0.00 H new ATOM 596 N LEU A 462 3.482 1.080 4.362 1.00 0.00 N ATOM 597 CA LEU A 462 3.096 1.807 5.567 1.00 0.00 C ATOM 598 C LEU A 462 3.540 1.059 6.820 1.00 0.00 C ATOM 599 O LEU A 462 4.266 1.600 7.654 1.00 0.00 O ATOM 600 CB LEU A 462 1.581 2.018 5.596 1.00 0.00 C ATOM 601 CG LEU A 462 1.047 3.164 4.735 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.466 3.073 4.605 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.454 4.507 5.323 1.00 0.00 C ATOM 0 H LEU A 462 2.748 1.013 3.657 1.00 0.00 H new ATOM 0 HA LEU A 462 3.592 2.778 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 462 1.099 1.094 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.278 2.194 6.628 1.00 0.00 H new ATOM 0 HG LEU A 462 1.483 3.079 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -0.828 3.896 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -0.735 2.125 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.920 3.132 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.066 5.311 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.047 4.602 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.541 4.572 5.363 1.00 0.00 H new ATOM 615 N TYR A 463 3.101 -0.189 6.945 1.00 0.00 N ATOM 616 CA TYR A 463 3.453 -1.011 8.096 1.00 0.00 C ATOM 617 C TYR A 463 4.916 -0.814 8.480 1.00 0.00 C ATOM 618 O TYR A 463 5.304 -1.028 9.629 1.00 0.00 O ATOM 619 CB TYR A 463 3.188 -2.487 7.795 1.00 0.00 C ATOM 620 CG TYR A 463 3.318 -3.385 9.005 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.314 -3.444 9.962 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.447 -4.175 9.189 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.429 -4.263 11.069 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.570 -4.997 10.292 1.00 0.00 C ATOM 625 CZ TYR A 463 3.559 -5.037 11.230 1.00 0.00 C ATOM 626 OH TYR A 463 3.677 -5.855 12.330 1.00 0.00 O ATOM 0 H TYR A 463 2.501 -0.653 6.263 1.00 0.00 H new ATOM 0 HA TYR A 463 2.831 -0.700 8.935 1.00 0.00 H new ATOM 0 HB2 TYR A 463 2.184 -2.590 7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.885 -2.823 7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.428 -2.839 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.241 -4.145 8.457 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.638 -4.297 11.804 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.453 -5.605 10.420 1.00 0.00 H new ATOM 0 HH TYR A 463 4.532 -6.333 12.292 1.00 0.00 H new ATOM 636 N HIS A 464 5.726 -0.403 7.508 1.00 0.00 N ATOM 637 CA HIS A 464 7.147 -0.175 7.743 1.00 0.00 C ATOM 638 C HIS A 464 7.437 1.313 7.918 1.00 0.00 C ATOM 639 O HIS A 464 8.038 1.727 8.910 1.00 0.00 O ATOM 640 CB HIS A 464 7.973 -0.734 6.584 1.00 0.00 C ATOM 641 CG HIS A 464 8.071 -2.228 6.585 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.370 -2.962 7.713 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.907 -3.127 5.586 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.387 -4.247 7.408 1.00 0.00 C ATOM 645 NE2 HIS A 464 8.108 -4.374 6.123 1.00 0.00 N ATOM 0 H HIS A 464 5.422 -0.221 6.551 1.00 0.00 H new ATOM 0 HA HIS A 464 7.426 -0.692 8.661 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.531 -0.408 5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.977 -0.312 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.663 -2.904 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.594 -5.056 8.093 1.00 0.00 H new ATOM 0 HE2 HIS A 464 8.051 -5.255 5.613 1.00 0.00 H new ATOM 653 N THR A 465 7.006 2.114 6.948 1.00 0.00 N ATOM 654 CA THR A 465 7.220 3.554 6.994 1.00 0.00 C ATOM 655 C THR A 465 7.236 4.062 8.431 1.00 0.00 C ATOM 656 O THR A 465 8.054 4.908 8.794 1.00 0.00 O ATOM 657 CB THR A 465 6.134 4.310 6.206 1.00 0.00 C ATOM 658 OG1 THR A 465 4.855 4.109 6.820 1.00 0.00 O ATOM 659 CG2 THR A 465 6.087 3.839 4.761 1.00 0.00 C ATOM 0 H THR A 465 6.506 1.788 6.121 1.00 0.00 H new ATOM 0 HA THR A 465 8.190 3.744 6.534 1.00 0.00 H new ATOM 0 HB THR A 465 6.380 5.372 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.802 3.197 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 465 5.313 4.387 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 465 7.052 4.019 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.862 2.773 4.733 1.00 0.00 H new ATOM 667 N THR A 466 6.326 3.540 9.248 1.00 0.00 N ATOM 668 CA THR A 466 6.235 3.941 10.647 1.00 0.00 C ATOM 669 C THR A 466 6.204 2.726 11.566 1.00 0.00 C ATOM 670 O THR A 466 6.772 2.747 12.657 1.00 0.00 O ATOM 671 CB THR A 466 4.981 4.798 10.905 1.00 0.00 C ATOM 672 OG1 THR A 466 3.815 4.115 10.431 1.00 0.00 O ATOM 673 CG2 THR A 466 5.098 6.150 10.217 1.00 0.00 C ATOM 0 H THR A 466 5.642 2.839 8.965 1.00 0.00 H new ATOM 0 HA THR A 466 7.123 4.535 10.864 1.00 0.00 H new ATOM 0 HB THR A 466 4.894 4.961 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.022 4.665 10.600 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.201 6.737 10.414 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.970 6.680 10.601 1.00 0.00 H new ATOM 0 HG23 THR A 466 5.207 6.003 9.142 1.00 0.00 H new ATOM 681 N GLY A 467 5.537 1.667 11.118 1.00 0.00 N ATOM 682 CA GLY A 467 5.446 0.456 11.914 1.00 0.00 C ATOM 683 C GLY A 467 4.048 -0.129 11.921 1.00 0.00 C ATOM 684 O GLY A 467 3.877 -1.347 11.895 1.00 0.00 O ATOM 0 H GLY A 467 5.058 1.626 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.145 -0.285 11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.751 0.674 12.938 1.00 0.00 H new ATOM 688 N ASN A 468 3.044 0.742 11.957 1.00 0.00 N ATOM 689 CA ASN A 468 1.653 0.304 11.970 1.00 0.00 C ATOM 690 C ASN A 468 0.989 0.561 10.620 1.00 0.00 C ATOM 691 O ASN A 468 1.252 1.573 9.970 1.00 0.00 O ATOM 692 CB ASN A 468 0.880 1.024 13.076 1.00 0.00 C ATOM 693 CG ASN A 468 -0.519 0.469 13.259 1.00 0.00 C ATOM 694 OD1 ASN A 468 -0.826 -0.633 12.805 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.376 1.234 13.927 1.00 0.00 N ATOM 0 H ASN A 468 3.168 1.754 11.978 1.00 0.00 H new ATOM 0 HA ASN A 468 1.638 -0.768 12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.428 0.937 14.014 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.818 2.086 12.840 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -2.332 0.914 14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.078 2.141 14.286 1.00 0.00 H new ATOM 702 N CYS A 469 0.127 -0.361 10.206 1.00 0.00 N ATOM 703 CA CYS A 469 -0.575 -0.235 8.934 1.00 0.00 C ATOM 704 C CYS A 469 -1.999 0.271 9.147 1.00 0.00 C ATOM 705 O CYS A 469 -2.648 -0.070 10.136 1.00 0.00 O ATOM 706 CB CYS A 469 -0.604 -1.582 8.208 1.00 0.00 C ATOM 707 SG CYS A 469 -1.363 -1.518 6.553 1.00 0.00 S ATOM 0 H CYS A 469 -0.102 -1.204 10.733 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.038 0.489 8.321 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.416 -1.954 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.150 -2.300 8.819 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.492 -1.887 5.662 1.00 0.00 H new ATOM 712 N ILE A 470 -2.477 1.086 8.213 1.00 0.00 N ATOM 713 CA ILE A 470 -3.823 1.638 8.297 1.00 0.00 C ATOM 714 C ILE A 470 -4.875 0.567 8.026 1.00 0.00 C ATOM 715 O ILE A 470 -5.941 0.560 8.639 1.00 0.00 O ATOM 716 CB ILE A 470 -4.020 2.798 7.304 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.416 3.404 7.463 1.00 0.00 C ATOM 718 CG2 ILE A 470 -3.806 2.315 5.877 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.575 4.232 8.719 1.00 0.00 C ATOM 0 H ILE A 470 -1.952 1.379 7.389 1.00 0.00 H new ATOM 0 HA ILE A 470 -3.945 2.016 9.312 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.283 3.571 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.633 4.028 6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.153 2.601 7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -3.949 3.146 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -2.793 1.926 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -4.523 1.526 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.589 4.630 8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.389 3.607 9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.862 5.056 8.704 1.00 0.00 H new ATOM 731 N ASN A 471 -4.564 -0.338 7.103 1.00 0.00 N ATOM 732 CA ASN A 471 -5.482 -1.416 6.751 1.00 0.00 C ATOM 733 C ASN A 471 -5.941 -2.169 7.996 1.00 0.00 C ATOM 734 O ASN A 471 -7.133 -2.223 8.297 1.00 0.00 O ATOM 735 CB ASN A 471 -4.813 -2.384 5.773 1.00 0.00 C ATOM 736 CG ASN A 471 -4.976 -1.952 4.329 1.00 0.00 C ATOM 737 OD1 ASN A 471 -5.864 -2.430 3.623 1.00 0.00 O ATOM 738 ND2 ASN A 471 -4.116 -1.044 3.883 1.00 0.00 N ATOM 0 H ASN A 471 -3.685 -0.346 6.586 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.356 -0.974 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -3.752 -2.459 6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.239 -3.379 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -4.176 -0.715 2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -3.396 -0.675 4.504 1.00 0.00 H new ATOM 745 N GLY A 472 -4.986 -2.748 8.717 1.00 0.00 N ATOM 746 CA GLY A 472 -5.311 -3.489 9.921 1.00 0.00 C ATOM 747 C GLY A 472 -4.760 -4.901 9.900 1.00 0.00 C ATOM 748 O GLY A 472 -3.786 -5.184 9.201 1.00 0.00 O ATOM 0 H GLY A 472 -3.992 -2.717 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -4.914 -2.960 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.394 -3.527 10.039 1.00 0.00 H new ATOM 752 N ASP A 473 -5.381 -5.789 10.668 1.00 0.00 N ATOM 753 CA ASP A 473 -4.946 -7.179 10.735 1.00 0.00 C ATOM 754 C ASP A 473 -5.289 -7.919 9.446 1.00 0.00 C ATOM 755 O ASP A 473 -4.618 -8.881 9.074 1.00 0.00 O ATOM 756 CB ASP A 473 -5.595 -7.881 11.929 1.00 0.00 C ATOM 757 CG ASP A 473 -4.989 -7.453 13.252 1.00 0.00 C ATOM 758 OD1 ASP A 473 -3.951 -8.028 13.643 1.00 0.00 O ATOM 759 OD2 ASP A 473 -5.552 -6.543 13.894 1.00 0.00 O ATOM 0 H ASP A 473 -6.188 -5.571 11.253 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.863 -7.190 10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.664 -7.667 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.487 -8.960 11.815 1.00 0.00 H new ATOM 764 N ASP A 474 -6.339 -7.463 8.770 1.00 0.00 N ATOM 765 CA ASP A 474 -6.771 -8.082 7.523 1.00 0.00 C ATOM 766 C ASP A 474 -6.308 -7.264 6.321 1.00 0.00 C ATOM 767 O ASP A 474 -7.072 -7.031 5.384 1.00 0.00 O ATOM 768 CB ASP A 474 -8.294 -8.226 7.501 1.00 0.00 C ATOM 769 CG ASP A 474 -8.821 -8.982 8.705 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.497 -10.180 8.842 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.558 -8.375 9.510 1.00 0.00 O ATOM 0 H ASP A 474 -6.906 -6.668 9.065 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.319 -9.072 7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.749 -7.236 7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.594 -8.744 6.590 1.00 0.00 H new ATOM 776 N CYS A 475 -5.053 -6.830 6.356 1.00 0.00 N ATOM 777 CA CYS A 475 -4.487 -6.036 5.272 1.00 0.00 C ATOM 778 C CYS A 475 -4.206 -6.907 4.050 1.00 0.00 C ATOM 779 O CYS A 475 -3.857 -8.080 4.178 1.00 0.00 O ATOM 780 CB CYS A 475 -3.198 -5.352 5.731 1.00 0.00 C ATOM 781 SG CYS A 475 -2.410 -4.317 4.456 1.00 0.00 S ATOM 0 H CYS A 475 -4.408 -7.015 7.124 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.215 -5.274 4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.418 -4.733 6.601 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.489 -6.115 6.053 1.00 0.00 H new ATOM 0 HG CYS A 475 -1.934 -3.239 5.005 1.00 0.00 H new ATOM 786 N MET A 476 -4.361 -6.323 2.866 1.00 0.00 N ATOM 787 CA MET A 476 -4.122 -7.044 1.622 1.00 0.00 C ATOM 788 C MET A 476 -2.632 -7.099 1.302 1.00 0.00 C ATOM 789 O MET A 476 -2.240 -7.368 0.166 1.00 0.00 O ATOM 790 CB MET A 476 -4.879 -6.381 0.470 1.00 0.00 C ATOM 791 CG MET A 476 -4.504 -4.924 0.255 1.00 0.00 C ATOM 792 SD MET A 476 -2.913 -4.731 -0.571 1.00 0.00 S ATOM 793 CE MET A 476 -3.318 -5.293 -2.222 1.00 0.00 C ATOM 0 H MET A 476 -4.651 -5.353 2.742 1.00 0.00 H new ATOM 0 HA MET A 476 -4.486 -8.064 1.747 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.686 -6.936 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.950 -6.447 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.278 -4.437 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.473 -4.415 1.218 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.437 -5.216 -2.859 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.648 -6.331 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.116 -4.674 -2.631 1.00 0.00 H new ATOM 803 N PHE A 477 -1.805 -6.841 2.310 1.00 0.00 N ATOM 804 CA PHE A 477 -0.357 -6.859 2.135 1.00 0.00 C ATOM 805 C PHE A 477 0.306 -7.746 3.184 1.00 0.00 C ATOM 806 O PHE A 477 -0.239 -7.959 4.267 1.00 0.00 O ATOM 807 CB PHE A 477 0.206 -5.439 2.221 1.00 0.00 C ATOM 808 CG PHE A 477 -0.060 -4.613 0.995 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.304 -5.074 -0.259 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.674 -3.375 1.098 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.060 -4.317 -1.390 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.921 -2.614 -0.029 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.552 -3.084 -1.274 1.00 0.00 C ATOM 0 H PHE A 477 -2.113 -6.617 3.256 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.140 -7.269 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.225 -4.938 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.282 -5.493 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.784 -6.037 -0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.963 -3.001 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.347 -4.689 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.403 -1.652 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.741 -2.489 -2.155 1.00 0.00 H new ATOM 823 N SER A 478 1.486 -8.261 2.855 1.00 0.00 N ATOM 824 CA SER A 478 2.223 -9.129 3.766 1.00 0.00 C ATOM 825 C SER A 478 2.930 -8.311 4.843 1.00 0.00 C ATOM 826 O SER A 478 3.675 -7.378 4.541 1.00 0.00 O ATOM 827 CB SER A 478 3.244 -9.967 2.993 1.00 0.00 C ATOM 828 OG SER A 478 2.628 -11.090 2.388 1.00 0.00 O ATOM 0 H SER A 478 1.953 -8.092 1.964 1.00 0.00 H new ATOM 0 HA SER A 478 1.509 -9.796 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.719 -9.353 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 478 4.032 -10.300 3.669 1.00 0.00 H new ATOM 0 HG SER A 478 2.009 -10.788 1.691 1.00 0.00 H new ATOM 834 N HIS A 479 2.691 -8.669 6.100 1.00 0.00 N ATOM 835 CA HIS A 479 3.305 -7.969 7.224 1.00 0.00 C ATOM 836 C HIS A 479 4.505 -8.745 7.757 1.00 0.00 C ATOM 837 O HIS A 479 4.942 -8.531 8.888 1.00 0.00 O ATOM 838 CB HIS A 479 2.282 -7.758 8.340 1.00 0.00 C ATOM 839 CG HIS A 479 1.305 -6.659 8.057 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.425 -6.172 9.002 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.072 -5.950 6.928 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.307 -5.212 8.465 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.066 -5.058 7.207 1.00 0.00 N ATOM 0 H HIS A 479 2.077 -9.439 6.367 1.00 0.00 H new ATOM 0 HA HIS A 479 3.651 -6.998 6.871 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.735 -8.687 8.500 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.809 -7.534 9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.582 -6.065 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.079 -4.649 8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.329 -4.386 6.550 1.00 0.00 H new ATOM 851 N ASP A 480 5.032 -9.647 6.936 1.00 0.00 N ATOM 852 CA ASP A 480 6.182 -10.455 7.325 1.00 0.00 C ATOM 853 C ASP A 480 7.392 -9.574 7.616 1.00 0.00 C ATOM 854 O ASP A 480 7.511 -8.455 7.115 1.00 0.00 O ATOM 855 CB ASP A 480 6.521 -11.462 6.225 1.00 0.00 C ATOM 856 CG ASP A 480 5.454 -12.527 6.066 1.00 0.00 C ATOM 857 OD1 ASP A 480 4.653 -12.709 7.007 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.421 -13.181 5.002 1.00 0.00 O ATOM 0 H ASP A 480 4.681 -9.837 5.997 1.00 0.00 H new ATOM 0 HA ASP A 480 5.923 -10.997 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.647 -10.934 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.474 -11.938 6.454 1.00 0.00 H new ATOM 863 N PRO A 481 8.313 -10.086 8.446 1.00 0.00 N ATOM 864 CA PRO A 481 9.530 -9.362 8.823 1.00 0.00 C ATOM 865 C PRO A 481 10.509 -9.230 7.661 1.00 0.00 C ATOM 866 O PRO A 481 11.028 -10.227 7.157 1.00 0.00 O ATOM 867 CB PRO A 481 10.130 -10.229 9.932 1.00 0.00 C ATOM 868 CG PRO A 481 9.608 -11.599 9.666 1.00 0.00 C ATOM 869 CD PRO A 481 8.236 -11.413 9.081 1.00 0.00 C ATOM 0 HA PRO A 481 9.316 -8.339 9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.219 -10.208 9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.829 -9.875 10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.257 -12.137 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.565 -12.185 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.999 -12.192 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.464 -11.447 9.849 1.00 0.00 H new ATOM 877 N LEU A 482 10.758 -7.995 7.241 1.00 0.00 N ATOM 878 CA LEU A 482 11.676 -7.733 6.138 1.00 0.00 C ATOM 879 C LEU A 482 12.903 -8.634 6.225 1.00 0.00 C ATOM 880 O LEU A 482 13.517 -8.767 7.284 1.00 0.00 O ATOM 881 CB LEU A 482 12.107 -6.265 6.145 1.00 0.00 C ATOM 882 CG LEU A 482 11.119 -5.273 5.529 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.772 -3.911 5.349 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.598 -5.796 4.198 1.00 0.00 C ATOM 0 H LEU A 482 10.337 -7.159 7.647 1.00 0.00 H new ATOM 0 HA LEU A 482 11.155 -7.949 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.295 -5.967 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 482 13.054 -6.182 5.612 1.00 0.00 H new ATOM 0 HG LEU A 482 10.274 -5.161 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 482 11.054 -3.218 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 482 12.096 -3.532 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.635 -4.006 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.896 -5.077 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.432 -5.937 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.092 -6.748 4.354 1.00 0.00 H new ATOM 896 N THR A 483 13.258 -9.252 5.102 1.00 0.00 N ATOM 897 CA THR A 483 14.413 -10.140 5.051 1.00 0.00 C ATOM 898 C THR A 483 15.520 -9.553 4.183 1.00 0.00 C ATOM 899 O THR A 483 15.300 -8.592 3.446 1.00 0.00 O ATOM 900 CB THR A 483 14.029 -11.528 4.504 1.00 0.00 C ATOM 901 OG1 THR A 483 13.493 -11.404 3.182 1.00 0.00 O ATOM 902 CG2 THR A 483 13.009 -12.203 5.409 1.00 0.00 C ATOM 0 H THR A 483 12.762 -9.154 4.216 1.00 0.00 H new ATOM 0 HA THR A 483 14.775 -10.247 6.073 1.00 0.00 H new ATOM 0 HB THR A 483 14.928 -12.143 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 483 13.253 -12.291 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.753 -13.181 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.431 -12.324 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.111 -11.588 5.467 1.00 0.00 H new ATOM 910 N GLU A 484 16.710 -10.138 4.274 1.00 0.00 N ATOM 911 CA GLU A 484 17.852 -9.671 3.496 1.00 0.00 C ATOM 912 C GLU A 484 17.480 -9.515 2.025 1.00 0.00 C ATOM 913 O GLU A 484 18.010 -8.649 1.329 1.00 0.00 O ATOM 914 CB GLU A 484 19.025 -10.644 3.636 1.00 0.00 C ATOM 915 CG GLU A 484 18.709 -12.051 3.160 1.00 0.00 C ATOM 916 CD GLU A 484 19.939 -12.936 3.096 1.00 0.00 C ATOM 917 OE1 GLU A 484 20.679 -12.852 2.094 1.00 0.00 O ATOM 918 OE2 GLU A 484 20.161 -13.712 4.049 1.00 0.00 O ATOM 0 H GLU A 484 16.909 -10.936 4.878 1.00 0.00 H new ATOM 0 HA GLU A 484 18.149 -8.697 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.874 -10.260 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 484 19.331 -10.683 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.977 -12.501 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 484 18.250 -12.002 2.173 1.00 0.00 H new ATOM 925 N GLU A 485 16.565 -10.359 1.558 1.00 0.00 N ATOM 926 CA GLU A 485 16.123 -10.315 0.169 1.00 0.00 C ATOM 927 C GLU A 485 15.075 -9.225 -0.034 1.00 0.00 C ATOM 928 O GLU A 485 15.370 -8.154 -0.565 1.00 0.00 O ATOM 929 CB GLU A 485 15.553 -11.671 -0.251 1.00 0.00 C ATOM 930 CG GLU A 485 16.603 -12.764 -0.365 1.00 0.00 C ATOM 931 CD GLU A 485 17.526 -12.564 -1.551 1.00 0.00 C ATOM 932 OE1 GLU A 485 18.493 -11.783 -1.426 1.00 0.00 O ATOM 933 OE2 GLU A 485 17.282 -13.189 -2.605 1.00 0.00 O ATOM 0 H GLU A 485 16.116 -11.081 2.121 1.00 0.00 H new ATOM 0 HA GLU A 485 16.987 -10.084 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 485 14.798 -11.978 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 485 15.048 -11.562 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 485 17.194 -12.792 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 485 16.108 -13.731 -0.454 1.00 0.00 H new ATOM 940 N THR A 486 13.847 -9.506 0.392 1.00 0.00 N ATOM 941 CA THR A 486 12.754 -8.552 0.256 1.00 0.00 C ATOM 942 C THR A 486 13.187 -7.155 0.684 1.00 0.00 C ATOM 943 O THR A 486 12.777 -6.158 0.089 1.00 0.00 O ATOM 944 CB THR A 486 11.531 -8.977 1.090 1.00 0.00 C ATOM 945 OG1 THR A 486 11.848 -8.924 2.486 1.00 0.00 O ATOM 946 CG2 THR A 486 11.084 -10.383 0.719 1.00 0.00 C ATOM 0 H THR A 486 13.585 -10.387 0.834 1.00 0.00 H new ATOM 0 HA THR A 486 12.478 -8.536 -0.798 1.00 0.00 H new ATOM 0 HB THR A 486 10.715 -8.286 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.474 -9.710 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.219 -10.661 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.815 -10.413 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.897 -11.085 0.906 1.00 0.00 H new ATOM 954 N ARG A 487 14.018 -7.089 1.719 1.00 0.00 N ATOM 955 CA ARG A 487 14.506 -5.813 2.227 1.00 0.00 C ATOM 956 C ARG A 487 15.027 -4.939 1.090 1.00 0.00 C ATOM 957 O ARG A 487 14.793 -3.731 1.066 1.00 0.00 O ATOM 958 CB ARG A 487 15.613 -6.040 3.258 1.00 0.00 C ATOM 959 CG ARG A 487 16.325 -4.764 3.678 1.00 0.00 C ATOM 960 CD ARG A 487 15.337 -3.674 4.059 1.00 0.00 C ATOM 961 NE ARG A 487 15.904 -2.733 5.022 1.00 0.00 N ATOM 962 CZ ARG A 487 15.436 -1.504 5.211 1.00 0.00 C ATOM 963 NH1 ARG A 487 14.399 -1.070 4.509 1.00 0.00 N ATOM 964 NH2 ARG A 487 16.007 -0.707 6.106 1.00 0.00 N ATOM 0 H ARG A 487 14.367 -7.905 2.222 1.00 0.00 H new ATOM 0 HA ARG A 487 13.673 -5.298 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.184 -6.514 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.344 -6.735 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 487 16.981 -4.973 4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.958 -4.414 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 487 15.029 -3.135 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 487 14.441 -4.129 4.481 1.00 0.00 H new ATOM 0 HE ARG A 487 16.703 -3.036 5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 487 13.958 -1.680 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 487 14.042 -0.126 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 487 16.805 -1.038 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 487 15.648 0.237 6.251 1.00 0.00 H new ATOM 978 N GLU A 488 15.734 -5.558 0.150 1.00 0.00 N ATOM 979 CA GLU A 488 16.289 -4.836 -0.989 1.00 0.00 C ATOM 980 C GLU A 488 15.180 -4.202 -1.823 1.00 0.00 C ATOM 981 O GLU A 488 15.270 -3.036 -2.213 1.00 0.00 O ATOM 982 CB GLU A 488 17.124 -5.776 -1.860 1.00 0.00 C ATOM 983 CG GLU A 488 17.894 -5.064 -2.960 1.00 0.00 C ATOM 984 CD GLU A 488 19.239 -4.546 -2.488 1.00 0.00 C ATOM 985 OE1 GLU A 488 19.266 -3.769 -1.511 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.265 -4.918 -3.097 1.00 0.00 O ATOM 0 H GLU A 488 15.936 -6.558 0.155 1.00 0.00 H new ATOM 0 HA GLU A 488 16.931 -4.043 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.828 -6.315 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.467 -6.519 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.045 -5.749 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 488 17.299 -4.231 -3.335 1.00 0.00 H new ATOM 993 N LEU A 489 14.136 -4.976 -2.095 1.00 0.00 N ATOM 994 CA LEU A 489 13.009 -4.492 -2.884 1.00 0.00 C ATOM 995 C LEU A 489 12.642 -3.065 -2.490 1.00 0.00 C ATOM 996 O LEU A 489 12.804 -2.131 -3.277 1.00 0.00 O ATOM 997 CB LEU A 489 11.800 -5.411 -2.700 1.00 0.00 C ATOM 998 CG LEU A 489 11.924 -6.811 -3.302 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.614 -7.570 -3.160 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.339 -6.729 -4.763 1.00 0.00 C ATOM 0 H LEU A 489 14.046 -5.942 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 489 13.304 -4.495 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.605 -5.512 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.929 -4.924 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 489 12.696 -7.353 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.721 -8.564 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.358 -7.660 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.823 -7.030 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.422 -7.735 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.590 -6.169 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.302 -6.225 -4.840 1.00 0.00 H new ATOM 1012 N LEU A 490 12.148 -2.902 -1.268 1.00 0.00 N ATOM 1013 CA LEU A 490 11.760 -1.588 -0.767 1.00 0.00 C ATOM 1014 C LEU A 490 12.770 -0.525 -1.187 1.00 0.00 C ATOM 1015 O LEU A 490 12.425 0.439 -1.870 1.00 0.00 O ATOM 1016 CB LEU A 490 11.637 -1.617 0.757 1.00 0.00 C ATOM 1017 CG LEU A 490 10.438 -2.383 1.319 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.587 -2.579 2.820 1.00 0.00 C ATOM 1019 CD2 LEU A 490 9.142 -1.652 1.001 1.00 0.00 C ATOM 0 H LEU A 490 12.006 -3.664 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 490 10.792 -1.334 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.547 -2.055 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.588 -0.589 1.117 1.00 0.00 H new ATOM 0 HG LEU A 490 10.403 -3.365 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.725 -3.126 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.496 -3.145 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.647 -1.607 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.300 -2.211 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.167 -0.657 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 490 9.030 -1.563 -0.080 1.00 0.00 H new ATOM 1031 N ASP A 491 14.020 -0.710 -0.776 1.00 0.00 N ATOM 1032 CA ASP A 491 15.082 0.231 -1.112 1.00 0.00 C ATOM 1033 C ASP A 491 14.937 0.724 -2.549 1.00 0.00 C ATOM 1034 O ASP A 491 15.130 1.906 -2.834 1.00 0.00 O ATOM 1035 CB ASP A 491 16.452 -0.422 -0.920 1.00 0.00 C ATOM 1036 CG ASP A 491 16.782 -0.654 0.541 1.00 0.00 C ATOM 1037 OD1 ASP A 491 16.377 0.177 1.381 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.445 -1.668 0.845 1.00 0.00 O ATOM 0 H ASP A 491 14.322 -1.503 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 491 14.999 1.087 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.475 -1.374 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 491 17.219 0.211 -1.367 1.00 0.00 H new ATOM 1043 N LYS A 492 14.597 -0.190 -3.451 1.00 0.00 N ATOM 1044 CA LYS A 492 14.426 0.150 -4.858 1.00 0.00 C ATOM 1045 C LYS A 492 13.066 0.797 -5.100 1.00 0.00 C ATOM 1046 O LYS A 492 12.975 1.860 -5.713 1.00 0.00 O ATOM 1047 CB LYS A 492 14.568 -1.102 -5.727 1.00 0.00 C ATOM 1048 CG LYS A 492 14.876 -0.799 -7.184 1.00 0.00 C ATOM 1049 CD LYS A 492 16.323 -0.375 -7.372 1.00 0.00 C ATOM 1050 CE LYS A 492 17.262 -1.571 -7.347 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.193 -2.356 -8.610 1.00 0.00 N ATOM 0 H LYS A 492 14.434 -1.173 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 492 15.203 0.865 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.361 -1.729 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.645 -1.679 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.673 -1.681 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 492 14.215 -0.008 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 492 16.429 0.152 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 492 16.603 0.325 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 492 18.284 -1.227 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 492 17.008 -2.215 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.940 -3.079 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 16.264 -2.818 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 17.327 -1.720 -9.422 1.00 0.00 H new ATOM 1065 N MET A 493 12.012 0.150 -4.613 1.00 0.00 N ATOM 1066 CA MET A 493 10.658 0.665 -4.775 1.00 0.00 C ATOM 1067 C MET A 493 10.532 2.062 -4.174 1.00 0.00 C ATOM 1068 O MET A 493 10.256 3.031 -4.883 1.00 0.00 O ATOM 1069 CB MET A 493 9.649 -0.278 -4.117 1.00 0.00 C ATOM 1070 CG MET A 493 8.224 -0.085 -4.612 1.00 0.00 C ATOM 1071 SD MET A 493 7.433 1.370 -3.900 1.00 0.00 S ATOM 1072 CE MET A 493 6.855 0.710 -2.338 1.00 0.00 C ATOM 0 H MET A 493 12.070 -0.732 -4.103 1.00 0.00 H new ATOM 0 HA MET A 493 10.445 0.727 -5.842 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.953 -1.308 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.674 -0.127 -3.038 1.00 0.00 H new ATOM 0 HG2 MET A 493 8.230 0.004 -5.698 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.636 -0.970 -4.368 1.00 0.00 H new ATOM 0 HE1 MET A 493 6.738 1.522 -1.621 1.00 0.00 H new ATOM 0 HE2 MET A 493 5.895 0.215 -2.485 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.580 -0.009 -1.956 1.00 0.00 H new ATOM 1082 N LEU A 494 10.736 2.159 -2.865 1.00 0.00 N ATOM 1083 CA LEU A 494 10.646 3.437 -2.169 1.00 0.00 C ATOM 1084 C LEU A 494 11.379 4.530 -2.940 1.00 0.00 C ATOM 1085 O LEU A 494 10.756 5.391 -3.560 1.00 0.00 O ATOM 1086 CB LEU A 494 11.226 3.315 -0.759 1.00 0.00 C ATOM 1087 CG LEU A 494 10.563 2.282 0.152 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.327 2.156 1.461 1.00 0.00 C ATOM 1089 CD2 LEU A 494 9.111 2.654 0.413 1.00 0.00 C ATOM 0 H LEU A 494 10.965 1.367 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 494 9.593 3.711 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 494 12.285 3.069 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.162 4.290 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 494 10.584 1.315 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 494 10.840 1.416 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 494 12.350 1.841 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.339 3.120 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.655 1.907 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.067 3.631 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.569 2.691 -0.532 1.00 0.00 H new