USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=21 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= -0.145 USER MOD Set 1.2: A 486 THR OG1 : rot -158:sc= 0.488 USER MOD Set 2.1: A 460 CYS SG : rot 58:sc= 1.12 USER MOD Set 2.2: A 469 CYS SG : rot 120:sc= 1.87 USER MOD Set 2.3: A 471 ASN : amide:sc= 0.0631 K(o=4,f=2.9!) USER MOD Set 2.4: A 475 CYS SG : rot 132:sc= 1.05 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.0941 X(o=4,f=4) USER MOD Set 3.1: A 433 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 453 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.1: A 437 CYS SG : rot 138:sc= 0.144 USER MOD Set 4.2: A 445 CYS SG : rot -89:sc= 1.3 USER MOD Set 4.3: A 451 CYS SG : rot -161:sc= 0.48 USER MOD Set 4.4: A 455 HIS : no HE2:sc= 0.157 K(o=2.1,f=-3.7) USER MOD Single : A 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 TYR OH : rot -144:sc= 0.589 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 454 MET CE :methyl -179:sc= -0.351 (180deg=-0.359) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -4.72! X(o=-4.7!,f=-4.6) USER MOD Single : A 465 THR OG1 : rot -38:sc= 0.164 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= -0.97 K(o=-0.97,f=-2.2) USER MOD Single : A 476 MET CE :methyl 180:sc= -0.739 (180deg=-0.739) USER MOD Single : A 478 SER OG : rot -160:sc= -0.0291 USER MOD Single : A 492 LYS NZ :NH3+ -135:sc=-0.00155 (180deg=-0.449) USER MOD Single : A 493 MET CE :methyl -112:sc=-0.00119 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 8.969 -11.955 -11.500 1.00 0.00 N ATOM 137 CA LYS A 433 9.516 -10.607 -11.404 1.00 0.00 C ATOM 138 C LYS A 433 9.527 -10.126 -9.957 1.00 0.00 C ATOM 139 O LYS A 433 8.620 -10.434 -9.183 1.00 0.00 O ATOM 140 CB LYS A 433 8.701 -9.641 -12.267 1.00 0.00 C ATOM 141 CG LYS A 433 9.088 -9.663 -13.736 1.00 0.00 C ATOM 142 CD LYS A 433 8.703 -8.369 -14.433 1.00 0.00 C ATOM 143 CE LYS A 433 8.551 -8.568 -15.934 1.00 0.00 C ATOM 144 NZ LYS A 433 8.178 -7.304 -16.626 1.00 0.00 N ATOM 0 HA LYS A 433 10.543 -10.632 -11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 433 7.643 -9.888 -12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.826 -8.629 -11.882 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.163 -9.821 -13.828 1.00 0.00 H new ATOM 0 HG3 LYS A 433 8.599 -10.503 -14.230 1.00 0.00 H new ATOM 0 HD2 LYS A 433 7.767 -7.995 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 433 9.462 -7.611 -14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.486 -8.946 -16.347 1.00 0.00 H new ATOM 0 HE3 LYS A 433 7.790 -9.325 -16.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 7.684 -7.527 -17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 7.552 -6.744 -16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.037 -6.757 -16.836 1.00 0.00 H new ATOM 158 N ARG A 434 10.558 -9.368 -9.597 1.00 0.00 N ATOM 159 CA ARG A 434 10.686 -8.845 -8.243 1.00 0.00 C ATOM 160 C ARG A 434 10.181 -7.407 -8.165 1.00 0.00 C ATOM 161 O ARG A 434 10.707 -6.595 -7.404 1.00 0.00 O ATOM 162 CB ARG A 434 12.144 -8.910 -7.784 1.00 0.00 C ATOM 163 CG ARG A 434 13.141 -8.532 -8.867 1.00 0.00 C ATOM 164 CD ARG A 434 12.760 -7.224 -9.543 1.00 0.00 C ATOM 165 NE ARG A 434 13.901 -6.597 -10.204 1.00 0.00 N ATOM 166 CZ ARG A 434 14.654 -5.660 -9.638 1.00 0.00 C ATOM 167 NH1 ARG A 434 14.389 -5.246 -8.407 1.00 0.00 N ATOM 168 NH2 ARG A 434 15.676 -5.137 -10.304 1.00 0.00 N ATOM 0 H ARG A 434 11.317 -9.103 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 434 10.076 -9.462 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 434 12.277 -8.245 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 434 12.362 -9.920 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 434 14.136 -8.441 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 434 13.190 -9.327 -9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 434 11.974 -7.410 -10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.349 -6.539 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 434 14.133 -6.894 -11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 434 13.605 -5.647 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 434 14.969 -4.527 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 434 15.884 -5.454 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 434 16.254 -4.418 -9.869 1.00 0.00 H new ATOM 182 N GLU A 435 9.160 -7.101 -8.959 1.00 0.00 N ATOM 183 CA GLU A 435 8.585 -5.760 -8.980 1.00 0.00 C ATOM 184 C GLU A 435 7.140 -5.780 -8.492 1.00 0.00 C ATOM 185 O GLU A 435 6.425 -6.767 -8.672 1.00 0.00 O ATOM 186 CB GLU A 435 8.650 -5.177 -10.393 1.00 0.00 C ATOM 187 CG GLU A 435 8.713 -3.659 -10.422 1.00 0.00 C ATOM 188 CD GLU A 435 7.341 -3.016 -10.359 1.00 0.00 C ATOM 189 OE1 GLU A 435 6.521 -3.281 -11.263 1.00 0.00 O ATOM 190 OE2 GLU A 435 7.088 -2.250 -9.407 1.00 0.00 O ATOM 0 H GLU A 435 8.714 -7.762 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 435 9.168 -5.131 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 435 9.526 -5.579 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 435 7.776 -5.507 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 435 9.313 -3.308 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 435 9.219 -3.338 -11.332 1.00 0.00 H new ATOM 197 N LEU A 436 6.716 -4.684 -7.873 1.00 0.00 N ATOM 198 CA LEU A 436 5.356 -4.574 -7.357 1.00 0.00 C ATOM 199 C LEU A 436 4.374 -4.246 -8.478 1.00 0.00 C ATOM 200 O LEU A 436 4.320 -3.115 -8.960 1.00 0.00 O ATOM 201 CB LEU A 436 5.286 -3.498 -6.272 1.00 0.00 C ATOM 202 CG LEU A 436 3.883 -3.066 -5.844 1.00 0.00 C ATOM 203 CD1 LEU A 436 3.221 -4.152 -5.012 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.941 -1.758 -5.068 1.00 0.00 C ATOM 0 H LEU A 436 7.294 -3.859 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 436 5.079 -5.535 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.816 -3.863 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.823 -2.618 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 436 3.283 -2.907 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 436 2.224 -3.827 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 436 3.145 -5.066 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.819 -4.343 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 436 2.934 -1.466 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 436 4.557 -1.890 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.374 -0.980 -5.697 1.00 0.00 H new ATOM 216 N CYS A 437 3.596 -5.244 -8.886 1.00 0.00 N ATOM 217 CA CYS A 437 2.614 -5.063 -9.948 1.00 0.00 C ATOM 218 C CYS A 437 1.884 -3.732 -9.793 1.00 0.00 C ATOM 219 O CYS A 437 1.409 -3.394 -8.709 1.00 0.00 O ATOM 220 CB CYS A 437 1.606 -6.214 -9.941 1.00 0.00 C ATOM 221 SG CYS A 437 0.524 -6.264 -11.405 1.00 0.00 S ATOM 0 H CYS A 437 3.627 -6.186 -8.497 1.00 0.00 H new ATOM 0 HA CYS A 437 3.143 -5.058 -10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 437 2.148 -7.157 -9.871 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.987 -6.135 -9.047 1.00 0.00 H new ATOM 0 HG CYS A 437 0.396 -7.493 -11.808 1.00 0.00 H new ATOM 226 N LYS A 438 1.798 -2.980 -10.885 1.00 0.00 N ATOM 227 CA LYS A 438 1.125 -1.687 -10.873 1.00 0.00 C ATOM 228 C LYS A 438 -0.386 -1.859 -10.988 1.00 0.00 C ATOM 229 O LYS A 438 -1.097 -0.937 -11.389 1.00 0.00 O ATOM 230 CB LYS A 438 1.638 -0.811 -12.018 1.00 0.00 C ATOM 231 CG LYS A 438 3.137 -0.570 -11.975 1.00 0.00 C ATOM 232 CD LYS A 438 3.489 0.588 -11.055 1.00 0.00 C ATOM 233 CE LYS A 438 3.122 1.926 -11.678 1.00 0.00 C ATOM 234 NZ LYS A 438 3.998 3.026 -11.186 1.00 0.00 N ATOM 0 H LYS A 438 2.186 -3.244 -11.790 1.00 0.00 H new ATOM 0 HA LYS A 438 1.346 -1.199 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 438 1.381 -1.281 -12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 438 1.123 0.149 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.642 -1.474 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.502 -0.361 -12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 438 2.966 0.472 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 438 4.556 0.568 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 438 3.202 1.856 -12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.082 2.160 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 3.716 3.921 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.903 3.110 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 4.988 2.815 -11.426 1.00 0.00 H new ATOM 248 N PHE A 439 -0.871 -3.044 -10.633 1.00 0.00 N ATOM 249 CA PHE A 439 -2.298 -3.336 -10.696 1.00 0.00 C ATOM 250 C PHE A 439 -2.813 -3.828 -9.347 1.00 0.00 C ATOM 251 O PHE A 439 -3.891 -3.435 -8.900 1.00 0.00 O ATOM 252 CB PHE A 439 -2.579 -4.384 -11.775 1.00 0.00 C ATOM 253 CG PHE A 439 -2.606 -3.820 -13.166 1.00 0.00 C ATOM 254 CD1 PHE A 439 -1.439 -3.388 -13.776 1.00 0.00 C ATOM 255 CD2 PHE A 439 -3.798 -3.722 -13.865 1.00 0.00 C ATOM 256 CE1 PHE A 439 -1.461 -2.868 -15.056 1.00 0.00 C ATOM 257 CE2 PHE A 439 -3.827 -3.203 -15.146 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.657 -2.776 -15.743 1.00 0.00 C ATOM 0 H PHE A 439 -0.297 -3.818 -10.299 1.00 0.00 H new ATOM 0 HA PHE A 439 -2.821 -2.414 -10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -1.817 -5.162 -11.722 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.537 -4.861 -11.566 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -0.501 -3.459 -13.245 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -4.716 -4.055 -13.404 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -0.545 -2.534 -15.519 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -4.763 -3.132 -15.679 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.676 -2.371 -16.744 1.00 0.00 H new ATOM 268 N TYR A 440 -2.035 -4.691 -8.703 1.00 0.00 N ATOM 269 CA TYR A 440 -2.412 -5.240 -7.406 1.00 0.00 C ATOM 270 C TYR A 440 -2.487 -4.141 -6.350 1.00 0.00 C ATOM 271 O TYR A 440 -3.234 -4.250 -5.377 1.00 0.00 O ATOM 272 CB TYR A 440 -1.411 -6.312 -6.971 1.00 0.00 C ATOM 273 CG TYR A 440 -1.808 -7.033 -5.703 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.955 -7.816 -5.657 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.038 -6.930 -4.552 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.323 -8.477 -4.500 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.397 -7.588 -3.391 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.540 -8.360 -3.370 1.00 0.00 C ATOM 279 OH TYR A 440 -2.902 -9.015 -2.216 1.00 0.00 O ATOM 0 H TYR A 440 -1.139 -5.025 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.399 -5.692 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.300 -7.041 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.435 -5.848 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.569 -7.910 -6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.143 -6.325 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -4.218 -9.081 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -0.786 -7.498 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.669 -8.464 -1.440 1.00 0.00 H new ATOM 289 N ILE A 441 -1.708 -3.083 -6.550 1.00 0.00 N ATOM 290 CA ILE A 441 -1.687 -1.963 -5.617 1.00 0.00 C ATOM 291 C ILE A 441 -3.100 -1.565 -5.205 1.00 0.00 C ATOM 292 O ILE A 441 -3.344 -1.201 -4.054 1.00 0.00 O ATOM 293 CB ILE A 441 -0.977 -0.739 -6.224 1.00 0.00 C ATOM 294 CG1 ILE A 441 0.495 -1.057 -6.494 1.00 0.00 C ATOM 295 CG2 ILE A 441 -1.104 0.461 -5.297 1.00 0.00 C ATOM 296 CD1 ILE A 441 1.200 -0.002 -7.317 1.00 0.00 C ATOM 0 H ILE A 441 -1.083 -2.978 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 441 -1.135 -2.294 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 441 -1.456 -0.493 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 441 1.014 -1.171 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 441 0.563 -2.014 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -0.597 1.318 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -2.158 0.698 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -0.648 0.227 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 441 2.239 -0.294 -7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 441 0.705 0.096 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 441 1.164 0.953 -6.792 1.00 0.00 H new ATOM 308 N THR A 442 -4.030 -1.637 -6.152 1.00 0.00 N ATOM 309 CA THR A 442 -5.419 -1.285 -5.888 1.00 0.00 C ATOM 310 C THR A 442 -6.275 -2.531 -5.691 1.00 0.00 C ATOM 311 O THR A 442 -7.286 -2.498 -4.992 1.00 0.00 O ATOM 312 CB THR A 442 -6.014 -0.444 -7.033 1.00 0.00 C ATOM 313 OG1 THR A 442 -7.416 -0.704 -7.156 1.00 0.00 O ATOM 314 CG2 THR A 442 -5.318 -0.754 -8.350 1.00 0.00 C ATOM 0 H THR A 442 -3.846 -1.936 -7.110 1.00 0.00 H new ATOM 0 HA THR A 442 -5.425 -0.694 -4.972 1.00 0.00 H new ATOM 0 HB THR A 442 -5.860 0.609 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 442 -7.786 -0.164 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 442 -5.755 -0.148 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 442 -4.256 -0.526 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 442 -5.444 -1.810 -8.588 1.00 0.00 H new ATOM 322 N GLY A 443 -5.861 -3.631 -6.313 1.00 0.00 N ATOM 323 CA GLY A 443 -6.601 -4.874 -6.193 1.00 0.00 C ATOM 324 C GLY A 443 -7.162 -5.345 -7.520 1.00 0.00 C ATOM 325 O GLY A 443 -7.654 -6.469 -7.631 1.00 0.00 O ATOM 0 H GLY A 443 -5.027 -3.684 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -5.947 -5.645 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.418 -4.740 -5.484 1.00 0.00 H new ATOM 329 N PHE A 444 -7.090 -4.485 -8.530 1.00 0.00 N ATOM 330 CA PHE A 444 -7.597 -4.818 -9.856 1.00 0.00 C ATOM 331 C PHE A 444 -6.458 -5.219 -10.789 1.00 0.00 C ATOM 332 O PHE A 444 -5.689 -4.374 -11.247 1.00 0.00 O ATOM 333 CB PHE A 444 -8.361 -3.631 -10.447 1.00 0.00 C ATOM 334 CG PHE A 444 -9.101 -3.964 -11.711 1.00 0.00 C ATOM 335 CD1 PHE A 444 -8.418 -4.130 -12.905 1.00 0.00 C ATOM 336 CD2 PHE A 444 -10.478 -4.111 -11.705 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.096 -4.435 -14.070 1.00 0.00 C ATOM 338 CE2 PHE A 444 -11.162 -4.417 -12.867 1.00 0.00 C ATOM 339 CZ PHE A 444 -10.470 -4.579 -14.051 1.00 0.00 C ATOM 0 H PHE A 444 -6.685 -3.552 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.276 -5.664 -9.755 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.070 -3.261 -9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -7.659 -2.822 -10.649 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -7.344 -4.020 -12.926 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -11.024 -3.985 -10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -8.552 -4.561 -14.995 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -12.236 -4.529 -12.849 1.00 0.00 H new ATOM 0 HZ PHE A 444 -11.002 -4.818 -14.960 1.00 0.00 H new ATOM 349 N CYS A 445 -6.356 -6.515 -11.065 1.00 0.00 N ATOM 350 CA CYS A 445 -5.311 -7.030 -11.942 1.00 0.00 C ATOM 351 C CYS A 445 -5.866 -8.098 -12.880 1.00 0.00 C ATOM 352 O CYS A 445 -6.411 -9.108 -12.434 1.00 0.00 O ATOM 353 CB CYS A 445 -4.162 -7.609 -11.115 1.00 0.00 C ATOM 354 SG CYS A 445 -2.827 -8.348 -12.111 1.00 0.00 S ATOM 0 H CYS A 445 -6.984 -7.228 -10.694 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.935 -6.202 -12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.742 -6.818 -10.493 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.560 -8.367 -10.441 1.00 0.00 H new ATOM 0 HG CYS A 445 -3.089 -9.603 -12.325 1.00 0.00 H new ATOM 359 N ALA A 446 -5.723 -7.868 -14.181 1.00 0.00 N ATOM 360 CA ALA A 446 -6.207 -8.811 -15.181 1.00 0.00 C ATOM 361 C ALA A 446 -5.809 -10.240 -14.828 1.00 0.00 C ATOM 362 O ALA A 446 -6.660 -11.072 -14.514 1.00 0.00 O ATOM 363 CB ALA A 446 -5.677 -8.438 -16.558 1.00 0.00 C ATOM 0 H ALA A 446 -5.276 -7.036 -14.567 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.296 -8.759 -15.196 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -6.046 -9.151 -17.295 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.017 -7.436 -16.820 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.587 -8.460 -16.547 1.00 0.00 H new ATOM 369 N ARG A 447 -4.510 -10.517 -14.882 1.00 0.00 N ATOM 370 CA ARG A 447 -3.999 -11.847 -14.569 1.00 0.00 C ATOM 371 C ARG A 447 -3.762 -11.999 -13.069 1.00 0.00 C ATOM 372 O ARG A 447 -2.903 -11.330 -12.496 1.00 0.00 O ATOM 373 CB ARG A 447 -2.699 -12.109 -15.331 1.00 0.00 C ATOM 374 CG ARG A 447 -2.902 -12.346 -16.818 1.00 0.00 C ATOM 375 CD ARG A 447 -1.575 -12.429 -17.556 1.00 0.00 C ATOM 376 NE ARG A 447 -1.752 -12.762 -18.966 1.00 0.00 N ATOM 377 CZ ARG A 447 -2.109 -11.878 -19.891 1.00 0.00 C ATOM 378 NH1 ARG A 447 -2.325 -10.614 -19.556 1.00 0.00 N ATOM 379 NH2 ARG A 447 -2.250 -12.258 -21.155 1.00 0.00 N ATOM 0 H ARG A 447 -3.793 -9.839 -15.139 1.00 0.00 H new ATOM 0 HA ARG A 447 -4.746 -12.578 -14.877 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -2.031 -11.259 -15.195 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -2.203 -12.977 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -3.461 -13.270 -16.967 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -3.503 -11.539 -17.237 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.053 -11.476 -17.472 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.944 -13.181 -17.083 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.593 -13.727 -19.257 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -2.217 -10.318 -18.586 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -2.599 -9.937 -20.268 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -2.084 -13.230 -21.417 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -2.524 -11.578 -21.864 1.00 0.00 H new ATOM 393 N ALA A 448 -4.531 -12.882 -12.440 1.00 0.00 N ATOM 394 CA ALA A 448 -4.403 -13.123 -11.009 1.00 0.00 C ATOM 395 C ALA A 448 -3.239 -14.062 -10.711 1.00 0.00 C ATOM 396 O ALA A 448 -2.161 -13.622 -10.314 1.00 0.00 O ATOM 397 CB ALA A 448 -5.699 -13.694 -10.452 1.00 0.00 C ATOM 0 H ALA A 448 -5.249 -13.442 -12.900 1.00 0.00 H new ATOM 0 HA ALA A 448 -4.199 -12.169 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -5.589 -13.869 -9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -6.511 -12.987 -10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.927 -14.635 -10.952 1.00 0.00 H new ATOM 403 N GLU A 449 -3.465 -15.358 -10.906 1.00 0.00 N ATOM 404 CA GLU A 449 -2.434 -16.358 -10.657 1.00 0.00 C ATOM 405 C GLU A 449 -1.477 -16.460 -11.841 1.00 0.00 C ATOM 406 O GLU A 449 -0.685 -17.397 -11.934 1.00 0.00 O ATOM 407 CB GLU A 449 -3.071 -17.722 -10.383 1.00 0.00 C ATOM 408 CG GLU A 449 -3.870 -18.267 -11.555 1.00 0.00 C ATOM 409 CD GLU A 449 -4.616 -19.542 -11.210 1.00 0.00 C ATOM 410 OE1 GLU A 449 -4.804 -19.812 -10.006 1.00 0.00 O ATOM 411 OE2 GLU A 449 -5.013 -20.268 -12.146 1.00 0.00 O ATOM 0 H GLU A 449 -4.352 -15.739 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.867 -16.047 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.287 -18.435 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -3.725 -17.640 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -4.583 -17.512 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -3.197 -18.459 -12.391 1.00 0.00 H new ATOM 418 N ASN A 450 -1.558 -15.489 -12.745 1.00 0.00 N ATOM 419 CA ASN A 450 -0.700 -15.469 -13.925 1.00 0.00 C ATOM 420 C ASN A 450 0.214 -14.248 -13.912 1.00 0.00 C ATOM 421 O ASN A 450 0.993 -14.033 -14.841 1.00 0.00 O ATOM 422 CB ASN A 450 -1.549 -15.473 -15.198 1.00 0.00 C ATOM 423 CG ASN A 450 -1.855 -16.876 -15.685 1.00 0.00 C ATOM 424 OD1 ASN A 450 -2.018 -17.800 -14.888 1.00 0.00 O ATOM 425 ND2 ASN A 450 -1.934 -17.041 -17.000 1.00 0.00 N ATOM 0 H ASN A 450 -2.209 -14.706 -12.683 1.00 0.00 H new ATOM 0 HA ASN A 450 -0.079 -16.365 -13.908 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -2.484 -14.945 -15.010 1.00 0.00 H new ATOM 0 HB3 ASN A 450 -1.026 -14.925 -15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -2.137 -17.963 -17.387 1.00 0.00 H new ATOM 0 HD22 ASN A 450 -1.792 -16.246 -17.623 1.00 0.00 H new ATOM 432 N CYS A 451 0.113 -13.451 -12.854 1.00 0.00 N ATOM 433 CA CYS A 451 0.930 -12.251 -12.719 1.00 0.00 C ATOM 434 C CYS A 451 2.331 -12.600 -12.224 1.00 0.00 C ATOM 435 O CYS A 451 2.528 -13.008 -11.080 1.00 0.00 O ATOM 436 CB CYS A 451 0.268 -11.264 -11.756 1.00 0.00 C ATOM 437 SG CYS A 451 0.968 -9.583 -11.816 1.00 0.00 S ATOM 0 H CYS A 451 -0.527 -13.615 -12.077 1.00 0.00 H new ATOM 0 HA CYS A 451 1.016 -11.787 -13.702 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.797 -11.211 -11.982 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.359 -11.648 -10.740 1.00 0.00 H new ATOM 0 HG CYS A 451 0.643 -8.939 -10.735 1.00 0.00 H new ATOM 442 N PRO A 452 3.328 -12.434 -13.106 1.00 0.00 N ATOM 443 CA PRO A 452 4.728 -12.724 -12.782 1.00 0.00 C ATOM 444 C PRO A 452 5.311 -11.727 -11.787 1.00 0.00 C ATOM 445 O PRO A 452 6.510 -11.746 -11.505 1.00 0.00 O ATOM 446 CB PRO A 452 5.436 -12.608 -14.134 1.00 0.00 C ATOM 447 CG PRO A 452 4.578 -11.690 -14.934 1.00 0.00 C ATOM 448 CD PRO A 452 3.165 -11.951 -14.487 1.00 0.00 C ATOM 0 HA PRO A 452 4.844 -13.698 -12.308 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.444 -12.209 -14.020 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.531 -13.581 -14.616 1.00 0.00 H new ATOM 0 HG2 PRO A 452 4.855 -10.650 -14.765 1.00 0.00 H new ATOM 0 HG3 PRO A 452 4.691 -11.880 -16.001 1.00 0.00 H new ATOM 0 HD2 PRO A 452 2.557 -11.047 -14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 452 2.675 -12.693 -15.117 1.00 0.00 H new ATOM 456 N TYR A 453 4.457 -10.858 -11.258 1.00 0.00 N ATOM 457 CA TYR A 453 4.889 -9.851 -10.296 1.00 0.00 C ATOM 458 C TYR A 453 4.577 -10.292 -8.869 1.00 0.00 C ATOM 459 O TYR A 453 4.077 -11.394 -8.644 1.00 0.00 O ATOM 460 CB TYR A 453 4.210 -8.512 -10.587 1.00 0.00 C ATOM 461 CG TYR A 453 4.720 -7.834 -11.839 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.299 -8.247 -13.097 1.00 0.00 C ATOM 463 CD2 TYR A 453 5.624 -6.782 -11.763 1.00 0.00 C ATOM 464 CE1 TYR A 453 4.763 -7.631 -14.243 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.092 -6.159 -12.904 1.00 0.00 C ATOM 466 CZ TYR A 453 5.659 -6.588 -14.142 1.00 0.00 C ATOM 467 OH TYR A 453 6.124 -5.971 -15.281 1.00 0.00 O ATOM 0 H TYR A 453 3.462 -10.831 -11.479 1.00 0.00 H new ATOM 0 HA TYR A 453 5.968 -9.732 -10.393 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.136 -8.672 -10.682 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.359 -7.846 -9.737 1.00 0.00 H new ATOM 0 HD1 TYR A 453 3.597 -9.064 -13.180 1.00 0.00 H new ATOM 0 HD2 TYR A 453 5.967 -6.445 -10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 453 4.426 -7.965 -15.213 1.00 0.00 H new ATOM 0 HE2 TYR A 453 6.793 -5.341 -12.827 1.00 0.00 H new ATOM 0 HH TYR A 453 6.747 -5.256 -15.035 1.00 0.00 H new ATOM 477 N MET A 454 4.875 -9.423 -7.909 1.00 0.00 N ATOM 478 CA MET A 454 4.625 -9.722 -6.504 1.00 0.00 C ATOM 479 C MET A 454 3.313 -9.096 -6.040 1.00 0.00 C ATOM 480 O MET A 454 3.098 -7.893 -6.196 1.00 0.00 O ATOM 481 CB MET A 454 5.780 -9.212 -5.639 1.00 0.00 C ATOM 482 CG MET A 454 7.070 -9.994 -5.827 1.00 0.00 C ATOM 483 SD MET A 454 7.088 -11.540 -4.899 1.00 0.00 S ATOM 484 CE MET A 454 7.883 -11.015 -3.382 1.00 0.00 C ATOM 0 H MET A 454 5.290 -8.507 -8.078 1.00 0.00 H new ATOM 0 HA MET A 454 4.549 -10.804 -6.396 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.963 -8.163 -5.873 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.486 -9.258 -4.590 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.208 -10.209 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.913 -9.377 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.983 -11.867 -2.710 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.871 -10.614 -3.609 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.279 -10.244 -2.903 1.00 0.00 H new ATOM 494 N HIS A 455 2.439 -9.919 -5.470 1.00 0.00 N ATOM 495 CA HIS A 455 1.148 -9.446 -4.984 1.00 0.00 C ATOM 496 C HIS A 455 1.100 -9.468 -3.459 1.00 0.00 C ATOM 497 O HIS A 455 1.182 -8.426 -2.811 1.00 0.00 O ATOM 498 CB HIS A 455 0.019 -10.305 -5.554 1.00 0.00 C ATOM 499 CG HIS A 455 -0.367 -9.937 -6.953 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.560 -10.317 -7.530 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.290 -9.216 -7.892 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.619 -9.848 -8.764 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.509 -9.176 -9.008 1.00 0.00 N ATOM 0 H HIS A 455 2.601 -10.917 -5.333 1.00 0.00 H new ATOM 0 HA HIS A 455 1.016 -8.417 -5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.324 -11.351 -5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.855 -10.215 -4.909 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.284 -10.873 -7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.262 -8.758 -7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.436 -9.990 -9.455 1.00 0.00 H new ATOM 511 N GLY A 456 0.967 -10.664 -2.893 1.00 0.00 N ATOM 512 CA GLY A 456 0.910 -10.799 -1.449 1.00 0.00 C ATOM 513 C GLY A 456 2.283 -10.757 -0.809 1.00 0.00 C ATOM 514 O GLY A 456 2.564 -9.887 0.015 1.00 0.00 O ATOM 0 H GLY A 456 0.898 -11.541 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.295 -9.999 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.422 -11.740 -1.194 1.00 0.00 H new ATOM 518 N ASP A 457 3.138 -11.701 -1.185 1.00 0.00 N ATOM 519 CA ASP A 457 4.490 -11.769 -0.641 1.00 0.00 C ATOM 520 C ASP A 457 5.039 -10.371 -0.374 1.00 0.00 C ATOM 521 O ASP A 457 5.618 -10.112 0.681 1.00 0.00 O ATOM 522 CB ASP A 457 5.413 -12.518 -1.604 1.00 0.00 C ATOM 523 CG ASP A 457 4.899 -13.904 -1.938 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.189 -14.493 -1.096 1.00 0.00 O ATOM 525 OD2 ASP A 457 5.205 -14.399 -3.043 1.00 0.00 O ATOM 0 H ASP A 457 2.920 -12.430 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 457 4.448 -12.310 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.519 -11.942 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.406 -12.599 -1.162 1.00 0.00 H new ATOM 530 N PHE A 458 4.854 -9.474 -1.336 1.00 0.00 N ATOM 531 CA PHE A 458 5.333 -8.103 -1.206 1.00 0.00 C ATOM 532 C PHE A 458 4.959 -7.523 0.155 1.00 0.00 C ATOM 533 O PHE A 458 3.805 -7.569 0.582 1.00 0.00 O ATOM 534 CB PHE A 458 4.754 -7.229 -2.321 1.00 0.00 C ATOM 535 CG PHE A 458 5.493 -5.936 -2.515 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.724 -5.915 -3.150 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.957 -4.742 -2.062 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.407 -4.727 -3.329 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.634 -3.550 -2.239 1.00 0.00 C ATOM 540 CZ PHE A 458 6.861 -3.543 -2.874 1.00 0.00 C ATOM 0 H PHE A 458 4.376 -9.672 -2.215 1.00 0.00 H new ATOM 0 HA PHE A 458 6.420 -8.115 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.768 -7.790 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.710 -7.011 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 458 7.155 -6.838 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.998 -4.742 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.367 -4.725 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.205 -2.626 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.392 -2.613 -3.014 1.00 0.00 H new ATOM 550 N PRO A 459 5.958 -6.965 0.855 1.00 0.00 N ATOM 551 CA PRO A 459 5.760 -6.366 2.178 1.00 0.00 C ATOM 552 C PRO A 459 4.951 -5.074 2.114 1.00 0.00 C ATOM 553 O PRO A 459 4.987 -4.356 1.114 1.00 0.00 O ATOM 554 CB PRO A 459 7.186 -6.081 2.655 1.00 0.00 C ATOM 555 CG PRO A 459 7.983 -5.939 1.405 1.00 0.00 C ATOM 556 CD PRO A 459 7.358 -6.875 0.407 1.00 0.00 C ATOM 0 HA PRO A 459 5.197 -7.021 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.228 -5.173 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.565 -6.893 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 459 7.961 -4.911 1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 459 9.029 -6.194 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.431 -6.486 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.845 -7.850 0.411 1.00 0.00 H new ATOM 564 N CYS A 460 4.223 -4.784 3.187 1.00 0.00 N ATOM 565 CA CYS A 460 3.405 -3.579 3.253 1.00 0.00 C ATOM 566 C CYS A 460 4.272 -2.346 3.490 1.00 0.00 C ATOM 567 O CYS A 460 5.328 -2.426 4.118 1.00 0.00 O ATOM 568 CB CYS A 460 2.364 -3.705 4.367 1.00 0.00 C ATOM 569 SG CYS A 460 0.952 -2.566 4.197 1.00 0.00 S ATOM 0 H CYS A 460 4.183 -5.367 4.023 1.00 0.00 H new ATOM 0 HA CYS A 460 2.893 -3.464 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.991 -4.729 4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.850 -3.524 5.326 1.00 0.00 H new ATOM 0 HG CYS A 460 0.367 -2.767 3.053 1.00 0.00 H new ATOM 574 N LYS A 461 3.819 -1.204 2.982 1.00 0.00 N ATOM 575 CA LYS A 461 4.550 0.047 3.138 1.00 0.00 C ATOM 576 C LYS A 461 4.306 0.652 4.517 1.00 0.00 C ATOM 577 O LYS A 461 5.210 0.702 5.353 1.00 0.00 O ATOM 578 CB LYS A 461 4.136 1.043 2.052 1.00 0.00 C ATOM 579 CG LYS A 461 4.817 2.395 2.175 1.00 0.00 C ATOM 580 CD LYS A 461 4.058 3.472 1.418 1.00 0.00 C ATOM 581 CE LYS A 461 4.546 3.592 -0.018 1.00 0.00 C ATOM 582 NZ LYS A 461 3.462 4.040 -0.936 1.00 0.00 N ATOM 0 H LYS A 461 2.948 -1.120 2.458 1.00 0.00 H new ATOM 0 HA LYS A 461 5.614 -0.169 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.365 0.618 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.056 1.184 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 461 4.891 2.672 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.835 2.327 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 461 2.993 3.240 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 461 4.179 4.429 1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 461 5.375 4.299 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.931 2.629 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 3.834 4.110 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 2.682 3.353 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 3.112 4.971 -0.632 1.00 0.00 H new ATOM 596 N LEU A 462 3.080 1.108 4.749 1.00 0.00 N ATOM 597 CA LEU A 462 2.717 1.708 6.028 1.00 0.00 C ATOM 598 C LEU A 462 3.237 0.869 7.191 1.00 0.00 C ATOM 599 O LEU A 462 3.989 1.357 8.035 1.00 0.00 O ATOM 600 CB LEU A 462 1.198 1.856 6.131 1.00 0.00 C ATOM 601 CG LEU A 462 0.588 3.046 5.390 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.931 2.997 5.461 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.109 4.355 5.964 1.00 0.00 C ATOM 0 H LEU A 462 2.321 1.074 4.069 1.00 0.00 H new ATOM 0 HA LEU A 462 3.177 2.695 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.738 0.943 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 462 0.931 1.934 7.185 1.00 0.00 H new ATOM 0 HG LEU A 462 0.884 2.989 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.348 3.852 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.287 2.075 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.248 3.030 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.664 5.191 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.843 4.421 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.193 4.392 5.860 1.00 0.00 H new ATOM 615 N TYR A 463 2.834 -0.396 7.228 1.00 0.00 N ATOM 616 CA TYR A 463 3.260 -1.304 8.287 1.00 0.00 C ATOM 617 C TYR A 463 4.734 -1.098 8.620 1.00 0.00 C ATOM 618 O TYR A 463 5.181 -1.402 9.727 1.00 0.00 O ATOM 619 CB TYR A 463 3.017 -2.756 7.871 1.00 0.00 C ATOM 620 CG TYR A 463 3.255 -3.752 8.984 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.294 -3.973 9.962 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.442 -4.472 9.055 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.509 -4.882 10.981 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.664 -5.383 10.069 1.00 0.00 C ATOM 625 CZ TYR A 463 3.695 -5.584 11.030 1.00 0.00 C ATOM 626 OH TYR A 463 3.911 -6.491 12.042 1.00 0.00 O ATOM 0 H TYR A 463 2.213 -0.816 6.537 1.00 0.00 H new ATOM 0 HA TYR A 463 2.671 -1.085 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.991 -2.857 7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.669 -2.999 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.364 -3.426 9.926 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.203 -4.316 8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.752 -5.042 11.735 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.591 -5.935 10.109 1.00 0.00 H new ATOM 0 HH TYR A 463 4.794 -6.901 11.931 1.00 0.00 H new ATOM 636 N HIS A 464 5.486 -0.580 7.654 1.00 0.00 N ATOM 637 CA HIS A 464 6.911 -0.332 7.844 1.00 0.00 C ATOM 638 C HIS A 464 7.170 1.139 8.155 1.00 0.00 C ATOM 639 O HIS A 464 7.813 1.471 9.151 1.00 0.00 O ATOM 640 CB HIS A 464 7.693 -0.747 6.597 1.00 0.00 C ATOM 641 CG HIS A 464 7.804 -2.231 6.427 1.00 0.00 C ATOM 642 ND1 HIS A 464 8.019 -3.095 7.479 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.728 -3.002 5.318 1.00 0.00 C ATOM 644 CE1 HIS A 464 8.072 -4.334 7.025 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.898 -4.306 5.716 1.00 0.00 N ATOM 0 H HIS A 464 5.133 -0.324 6.732 1.00 0.00 H new ATOM 0 HA HIS A 464 7.249 -0.929 8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.209 -0.324 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.694 -0.319 6.647 1.00 0.00 H new ATOM 0 HD1 HIS A 464 8.121 -2.820 8.456 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.564 -2.657 4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 464 8.231 -5.220 7.622 1.00 0.00 H new ATOM 653 N THR A 465 6.665 2.019 7.295 1.00 0.00 N ATOM 654 CA THR A 465 6.843 3.454 7.476 1.00 0.00 C ATOM 655 C THR A 465 6.836 3.826 8.955 1.00 0.00 C ATOM 656 O THR A 465 7.655 4.625 9.409 1.00 0.00 O ATOM 657 CB THR A 465 5.743 4.252 6.752 1.00 0.00 C ATOM 658 OG1 THR A 465 4.476 4.018 7.377 1.00 0.00 O ATOM 659 CG2 THR A 465 5.670 3.863 5.283 1.00 0.00 C ATOM 0 H THR A 465 6.129 1.762 6.466 1.00 0.00 H new ATOM 0 HA THR A 465 7.811 3.710 7.044 1.00 0.00 H new ATOM 0 HB THR A 465 5.990 5.312 6.819 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.413 3.078 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.886 4.440 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.627 4.070 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.445 2.800 5.199 1.00 0.00 H new ATOM 667 N THR A 466 5.905 3.242 9.703 1.00 0.00 N ATOM 668 CA THR A 466 5.791 3.513 11.130 1.00 0.00 C ATOM 669 C THR A 466 5.856 2.224 11.941 1.00 0.00 C ATOM 670 O THR A 466 6.402 2.199 13.044 1.00 0.00 O ATOM 671 CB THR A 466 4.478 4.248 11.460 1.00 0.00 C ATOM 672 OG1 THR A 466 3.357 3.413 11.145 1.00 0.00 O ATOM 673 CG2 THR A 466 4.379 5.552 10.683 1.00 0.00 C ATOM 0 H THR A 466 5.219 2.578 9.344 1.00 0.00 H new ATOM 0 HA THR A 466 6.633 4.151 11.398 1.00 0.00 H new ATOM 0 HB THR A 466 4.472 4.477 12.526 1.00 0.00 H new ATOM 0 HG1 THR A 466 2.526 3.886 11.359 1.00 0.00 H new ATOM 0 HG21 THR A 466 3.444 6.054 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 466 5.218 6.197 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 466 4.404 5.341 9.614 1.00 0.00 H new ATOM 681 N GLY A 467 5.295 1.153 11.388 1.00 0.00 N ATOM 682 CA GLY A 467 5.300 -0.126 12.074 1.00 0.00 C ATOM 683 C GLY A 467 3.963 -0.834 11.992 1.00 0.00 C ATOM 684 O GLY A 467 3.907 -2.054 11.845 1.00 0.00 O ATOM 0 H GLY A 467 4.837 1.148 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.072 -0.763 11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.562 0.028 13.121 1.00 0.00 H new ATOM 688 N ASN A 468 2.882 -0.067 12.089 1.00 0.00 N ATOM 689 CA ASN A 468 1.537 -0.629 12.027 1.00 0.00 C ATOM 690 C ASN A 468 0.868 -0.292 10.698 1.00 0.00 C ATOM 691 O ASN A 468 1.373 0.522 9.925 1.00 0.00 O ATOM 692 CB ASN A 468 0.689 -0.104 13.187 1.00 0.00 C ATOM 693 CG ASN A 468 -0.585 -0.904 13.379 1.00 0.00 C ATOM 694 OD1 ASN A 468 -0.589 -2.128 13.245 1.00 0.00 O ATOM 695 ND2 ASN A 468 -1.675 -0.214 13.695 1.00 0.00 N ATOM 0 H ASN A 468 2.911 0.945 12.211 1.00 0.00 H new ATOM 0 HA ASN A 468 1.618 -1.713 12.107 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.276 -0.134 14.105 1.00 0.00 H new ATOM 0 HB3 ASN A 468 0.435 0.940 13.005 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -2.562 -0.698 13.837 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -1.625 0.800 13.796 1.00 0.00 H new ATOM 702 N CYS A 469 -0.273 -0.922 10.440 1.00 0.00 N ATOM 703 CA CYS A 469 -1.014 -0.690 9.206 1.00 0.00 C ATOM 704 C CYS A 469 -2.449 -0.267 9.504 1.00 0.00 C ATOM 705 O CYS A 469 -3.125 -0.872 10.337 1.00 0.00 O ATOM 706 CB CYS A 469 -1.012 -1.952 8.340 1.00 0.00 C ATOM 707 SG CYS A 469 -1.587 -1.683 6.633 1.00 0.00 S ATOM 0 H CYS A 469 -0.705 -1.598 11.070 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.522 0.117 8.663 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -0.001 -2.359 8.312 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.645 -2.704 8.811 1.00 0.00 H new ATOM 0 HG CYS A 469 -0.644 -2.011 5.801 1.00 0.00 H new ATOM 712 N ILE A 470 -2.908 0.774 8.818 1.00 0.00 N ATOM 713 CA ILE A 470 -4.262 1.277 9.008 1.00 0.00 C ATOM 714 C ILE A 470 -5.298 0.223 8.631 1.00 0.00 C ATOM 715 O ILE A 470 -6.326 0.084 9.293 1.00 0.00 O ATOM 716 CB ILE A 470 -4.513 2.548 8.175 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.915 3.097 8.451 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.336 2.254 6.693 1.00 0.00 C ATOM 719 CD1 ILE A 470 -6.081 3.655 9.847 1.00 0.00 C ATOM 0 H ILE A 470 -2.361 1.286 8.125 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.362 1.520 10.066 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.783 3.304 8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -6.139 3.880 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.645 2.302 8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.517 3.162 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.320 1.905 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -5.045 1.484 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -7.098 4.026 9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.889 2.870 10.578 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -5.376 4.472 9.999 1.00 0.00 H new ATOM 731 N ASN A 471 -5.018 -0.519 7.564 1.00 0.00 N ATOM 732 CA ASN A 471 -5.925 -1.562 7.100 1.00 0.00 C ATOM 733 C ASN A 471 -6.327 -2.484 8.247 1.00 0.00 C ATOM 734 O ASN A 471 -7.513 -2.680 8.513 1.00 0.00 O ATOM 735 CB ASN A 471 -5.269 -2.376 5.983 1.00 0.00 C ATOM 736 CG ASN A 471 -4.907 -1.524 4.782 1.00 0.00 C ATOM 737 OD1 ASN A 471 -3.992 -0.703 4.842 1.00 0.00 O ATOM 738 ND2 ASN A 471 -5.627 -1.715 3.682 1.00 0.00 N ATOM 0 H ASN A 471 -4.171 -0.417 7.005 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.823 -1.082 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.370 -2.857 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.947 -3.170 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -5.430 -1.170 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -6.377 -2.407 3.677 1.00 0.00 H new ATOM 745 N GLY A 472 -5.331 -3.047 8.924 1.00 0.00 N ATOM 746 CA GLY A 472 -5.602 -3.940 10.035 1.00 0.00 C ATOM 747 C GLY A 472 -4.952 -5.298 9.858 1.00 0.00 C ATOM 748 O GLY A 472 -4.000 -5.443 9.092 1.00 0.00 O ATOM 0 H GLY A 472 -4.342 -2.901 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.242 -3.486 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.679 -4.067 10.141 1.00 0.00 H new ATOM 752 N ASP A 473 -5.466 -6.295 10.570 1.00 0.00 N ATOM 753 CA ASP A 473 -4.929 -7.649 10.489 1.00 0.00 C ATOM 754 C ASP A 473 -5.283 -8.294 9.152 1.00 0.00 C ATOM 755 O ASP A 473 -4.589 -9.197 8.685 1.00 0.00 O ATOM 756 CB ASP A 473 -5.464 -8.503 11.639 1.00 0.00 C ATOM 757 CG ASP A 473 -6.936 -8.256 11.907 1.00 0.00 C ATOM 758 OD1 ASP A 473 -7.254 -7.290 12.631 1.00 0.00 O ATOM 759 OD2 ASP A 473 -7.770 -9.029 11.391 1.00 0.00 O ATOM 0 H ASP A 473 -6.254 -6.191 11.210 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.844 -7.588 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -5.312 -9.557 11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -4.892 -8.290 12.542 1.00 0.00 H new ATOM 764 N ASP A 474 -6.366 -7.826 8.543 1.00 0.00 N ATOM 765 CA ASP A 474 -6.812 -8.357 7.261 1.00 0.00 C ATOM 766 C ASP A 474 -6.381 -7.446 6.115 1.00 0.00 C ATOM 767 O ASP A 474 -7.178 -7.114 5.238 1.00 0.00 O ATOM 768 CB ASP A 474 -8.333 -8.521 7.253 1.00 0.00 C ATOM 769 CG ASP A 474 -8.849 -9.189 8.513 1.00 0.00 C ATOM 770 OD1 ASP A 474 -8.261 -10.209 8.927 1.00 0.00 O ATOM 771 OD2 ASP A 474 -9.842 -8.691 9.084 1.00 0.00 O ATOM 0 H ASP A 474 -6.952 -7.079 8.917 1.00 0.00 H new ATOM 0 HA ASP A 474 -6.348 -9.333 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.801 -7.542 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -8.628 -9.111 6.385 1.00 0.00 H new ATOM 776 N CYS A 475 -5.115 -7.044 6.131 1.00 0.00 N ATOM 777 CA CYS A 475 -4.576 -6.170 5.096 1.00 0.00 C ATOM 778 C CYS A 475 -4.273 -6.956 3.824 1.00 0.00 C ATOM 779 O CYS A 475 -3.940 -8.140 3.878 1.00 0.00 O ATOM 780 CB CYS A 475 -3.308 -5.475 5.594 1.00 0.00 C ATOM 781 SG CYS A 475 -2.698 -4.160 4.491 1.00 0.00 S ATOM 0 H CYS A 475 -4.442 -7.310 6.850 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.328 -5.415 4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.503 -5.048 6.578 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.524 -6.221 5.721 1.00 0.00 H new ATOM 0 HG CYS A 475 -2.432 -3.096 5.190 1.00 0.00 H new ATOM 786 N MET A 476 -4.390 -6.290 2.680 1.00 0.00 N ATOM 787 CA MET A 476 -4.126 -6.926 1.395 1.00 0.00 C ATOM 788 C MET A 476 -2.628 -6.976 1.110 1.00 0.00 C ATOM 789 O MET A 476 -2.210 -7.154 -0.034 1.00 0.00 O ATOM 790 CB MET A 476 -4.845 -6.174 0.273 1.00 0.00 C ATOM 791 CG MET A 476 -4.433 -4.716 0.157 1.00 0.00 C ATOM 792 SD MET A 476 -2.869 -4.503 -0.716 1.00 0.00 S ATOM 793 CE MET A 476 -3.344 -4.969 -2.379 1.00 0.00 C ATOM 0 H MET A 476 -4.666 -5.310 2.617 1.00 0.00 H new ATOM 0 HA MET A 476 -4.504 -7.948 1.439 1.00 0.00 H new ATOM 0 HB2 MET A 476 -4.647 -6.675 -0.674 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.920 -6.227 0.443 1.00 0.00 H new ATOM 0 HG2 MET A 476 -5.214 -4.162 -0.364 1.00 0.00 H new ATOM 0 HG3 MET A 476 -4.349 -4.286 1.155 1.00 0.00 H new ATOM 0 HE1 MET A 476 -2.481 -4.889 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 476 -3.707 -5.997 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.134 -4.305 -2.731 1.00 0.00 H new ATOM 803 N PHE A 477 -1.826 -6.819 2.157 1.00 0.00 N ATOM 804 CA PHE A 477 -0.375 -6.846 2.019 1.00 0.00 C ATOM 805 C PHE A 477 0.254 -7.772 3.057 1.00 0.00 C ATOM 806 O PHE A 477 -0.332 -8.032 4.108 1.00 0.00 O ATOM 807 CB PHE A 477 0.199 -5.435 2.165 1.00 0.00 C ATOM 808 CG PHE A 477 0.075 -4.605 0.919 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.590 -5.059 -0.285 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.555 -3.372 0.951 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.478 -4.299 -1.434 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.670 -2.607 -0.194 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.152 -3.071 -1.388 1.00 0.00 C ATOM 0 H PHE A 477 -2.156 -6.672 3.111 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.137 -7.227 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.312 -4.927 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.251 -5.506 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 477 1.085 -6.018 -0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.961 -3.004 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.882 -4.665 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.164 -1.647 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.240 -2.474 -2.284 1.00 0.00 H new ATOM 823 N SER A 478 1.449 -8.267 2.752 1.00 0.00 N ATOM 824 CA SER A 478 2.156 -9.168 3.656 1.00 0.00 C ATOM 825 C SER A 478 2.825 -8.390 4.785 1.00 0.00 C ATOM 826 O SER A 478 3.557 -7.430 4.544 1.00 0.00 O ATOM 827 CB SER A 478 3.203 -9.976 2.887 1.00 0.00 C ATOM 828 OG SER A 478 2.664 -11.202 2.426 1.00 0.00 O ATOM 0 H SER A 478 1.948 -8.060 1.887 1.00 0.00 H new ATOM 0 HA SER A 478 1.428 -9.852 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 478 3.566 -9.394 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 478 4.061 -10.171 3.531 1.00 0.00 H new ATOM 0 HG SER A 478 3.393 -11.826 2.228 1.00 0.00 H new ATOM 834 N HIS A 479 2.567 -8.812 6.019 1.00 0.00 N ATOM 835 CA HIS A 479 3.144 -8.156 7.187 1.00 0.00 C ATOM 836 C HIS A 479 4.303 -8.973 7.751 1.00 0.00 C ATOM 837 O HIS A 479 4.623 -8.877 8.936 1.00 0.00 O ATOM 838 CB HIS A 479 2.077 -7.952 8.263 1.00 0.00 C ATOM 839 CG HIS A 479 1.147 -6.814 7.976 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.036 -6.538 8.744 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.169 -5.878 6.998 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.587 -5.482 8.251 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.081 -5.062 7.191 1.00 0.00 N ATOM 0 H HIS A 479 1.963 -9.605 6.236 1.00 0.00 H new ATOM 0 HA HIS A 479 3.525 -7.183 6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.496 -8.868 8.365 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.567 -7.777 9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.905 -5.789 6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.488 -5.038 8.647 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.170 -4.262 6.610 1.00 0.00 H new ATOM 851 N ASP A 480 4.926 -9.776 6.896 1.00 0.00 N ATOM 852 CA ASP A 480 6.049 -10.609 7.309 1.00 0.00 C ATOM 853 C ASP A 480 7.273 -9.754 7.624 1.00 0.00 C ATOM 854 O ASP A 480 7.383 -8.604 7.199 1.00 0.00 O ATOM 855 CB ASP A 480 6.388 -11.624 6.216 1.00 0.00 C ATOM 856 CG ASP A 480 5.612 -12.918 6.367 1.00 0.00 C ATOM 857 OD1 ASP A 480 5.476 -13.398 7.512 1.00 0.00 O ATOM 858 OD2 ASP A 480 5.140 -13.450 5.340 1.00 0.00 O ATOM 0 H ASP A 480 4.672 -9.868 5.912 1.00 0.00 H new ATOM 0 HA ASP A 480 5.759 -11.144 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.175 -11.188 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.456 -11.839 6.243 1.00 0.00 H new ATOM 863 N PRO A 481 8.215 -10.328 8.387 1.00 0.00 N ATOM 864 CA PRO A 481 9.448 -9.636 8.776 1.00 0.00 C ATOM 865 C PRO A 481 10.392 -9.426 7.597 1.00 0.00 C ATOM 866 O PRO A 481 10.880 -10.387 7.000 1.00 0.00 O ATOM 867 CB PRO A 481 10.077 -10.582 9.802 1.00 0.00 C ATOM 868 CG PRO A 481 9.539 -11.927 9.457 1.00 0.00 C ATOM 869 CD PRO A 481 8.150 -11.695 8.928 1.00 0.00 C ATOM 0 HA PRO A 481 9.249 -8.636 9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 481 11.165 -10.564 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.809 -10.297 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.164 -12.417 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.520 -12.576 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.887 -12.420 8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.401 -11.780 9.715 1.00 0.00 H new ATOM 877 N LEU A 482 10.646 -8.165 7.266 1.00 0.00 N ATOM 878 CA LEU A 482 11.533 -7.829 6.157 1.00 0.00 C ATOM 879 C LEU A 482 12.743 -8.756 6.128 1.00 0.00 C ATOM 880 O LEU A 482 13.250 -9.167 7.172 1.00 0.00 O ATOM 881 CB LEU A 482 11.993 -6.374 6.269 1.00 0.00 C ATOM 882 CG LEU A 482 10.968 -5.313 5.866 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.543 -3.918 6.052 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.524 -5.521 4.425 1.00 0.00 C ATOM 0 H LEU A 482 10.251 -7.358 7.749 1.00 0.00 H new ATOM 0 HA LEU A 482 10.978 -7.958 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 482 12.293 -6.187 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.881 -6.246 5.650 1.00 0.00 H new ATOM 0 HG LEU A 482 10.096 -5.413 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.800 -3.176 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.811 -3.771 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.432 -3.805 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.795 -4.757 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.388 -5.448 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 482 10.071 -6.507 4.323 1.00 0.00 H new ATOM 896 N THR A 483 13.205 -9.081 4.924 1.00 0.00 N ATOM 897 CA THR A 483 14.357 -9.958 4.758 1.00 0.00 C ATOM 898 C THR A 483 15.359 -9.369 3.772 1.00 0.00 C ATOM 899 O THR A 483 15.017 -8.502 2.969 1.00 0.00 O ATOM 900 CB THR A 483 13.933 -11.355 4.269 1.00 0.00 C ATOM 901 OG1 THR A 483 13.261 -11.250 3.008 1.00 0.00 O ATOM 902 CG2 THR A 483 13.019 -12.030 5.281 1.00 0.00 C ATOM 0 H THR A 483 12.798 -8.749 4.049 1.00 0.00 H new ATOM 0 HA THR A 483 14.827 -10.051 5.737 1.00 0.00 H new ATOM 0 HB THR A 483 14.831 -11.962 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.996 -12.143 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.733 -13.015 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.543 -12.136 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.125 -11.423 5.425 1.00 0.00 H new ATOM 910 N GLU A 484 16.598 -9.846 3.839 1.00 0.00 N ATOM 911 CA GLU A 484 17.650 -9.365 2.951 1.00 0.00 C ATOM 912 C GLU A 484 17.123 -9.185 1.531 1.00 0.00 C ATOM 913 O GLU A 484 17.565 -8.298 0.802 1.00 0.00 O ATOM 914 CB GLU A 484 18.831 -10.338 2.949 1.00 0.00 C ATOM 915 CG GLU A 484 19.957 -9.926 2.016 1.00 0.00 C ATOM 916 CD GLU A 484 21.197 -10.782 2.185 1.00 0.00 C ATOM 917 OE1 GLU A 484 21.098 -12.013 1.996 1.00 0.00 O ATOM 918 OE2 GLU A 484 22.266 -10.222 2.506 1.00 0.00 O ATOM 0 H GLU A 484 16.898 -10.564 4.498 1.00 0.00 H new ATOM 0 HA GLU A 484 17.987 -8.397 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.223 -10.423 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.475 -11.327 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 484 19.612 -9.993 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 484 20.213 -8.882 2.200 1.00 0.00 H new ATOM 925 N GLU A 485 16.175 -10.033 1.146 1.00 0.00 N ATOM 926 CA GLU A 485 15.588 -9.968 -0.188 1.00 0.00 C ATOM 927 C GLU A 485 14.563 -8.841 -0.277 1.00 0.00 C ATOM 928 O GLU A 485 14.801 -7.818 -0.920 1.00 0.00 O ATOM 929 CB GLU A 485 14.928 -11.302 -0.544 1.00 0.00 C ATOM 930 CG GLU A 485 14.529 -11.412 -2.006 1.00 0.00 C ATOM 931 CD GLU A 485 14.404 -12.850 -2.470 1.00 0.00 C ATOM 932 OE1 GLU A 485 15.173 -13.701 -1.976 1.00 0.00 O ATOM 933 OE2 GLU A 485 13.538 -13.125 -3.327 1.00 0.00 O ATOM 0 H GLU A 485 15.797 -10.773 1.738 1.00 0.00 H new ATOM 0 HA GLU A 485 16.388 -9.765 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.614 -12.113 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 485 14.042 -11.437 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 485 13.578 -10.901 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 485 15.269 -10.899 -2.620 1.00 0.00 H new ATOM 940 N THR A 486 13.420 -9.036 0.373 1.00 0.00 N ATOM 941 CA THR A 486 12.357 -8.038 0.367 1.00 0.00 C ATOM 942 C THR A 486 12.901 -6.654 0.701 1.00 0.00 C ATOM 943 O THR A 486 12.652 -5.688 -0.021 1.00 0.00 O ATOM 944 CB THR A 486 11.245 -8.396 1.370 1.00 0.00 C ATOM 945 OG1 THR A 486 11.714 -8.209 2.710 1.00 0.00 O ATOM 946 CG2 THR A 486 10.790 -9.835 1.183 1.00 0.00 C ATOM 0 H THR A 486 13.206 -9.876 0.911 1.00 0.00 H new ATOM 0 HA THR A 486 11.938 -8.028 -0.639 1.00 0.00 H new ATOM 0 HB THR A 486 10.396 -7.737 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.171 -8.745 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.004 -10.065 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.406 -9.967 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.634 -10.507 1.341 1.00 0.00 H new ATOM 954 N ARG A 487 13.645 -6.564 1.798 1.00 0.00 N ATOM 955 CA ARG A 487 14.224 -5.297 2.228 1.00 0.00 C ATOM 956 C ARG A 487 14.728 -4.496 1.031 1.00 0.00 C ATOM 957 O ARG A 487 14.377 -3.329 0.861 1.00 0.00 O ATOM 958 CB ARG A 487 15.370 -5.542 3.210 1.00 0.00 C ATOM 959 CG ARG A 487 15.669 -4.352 4.107 1.00 0.00 C ATOM 960 CD ARG A 487 16.510 -3.309 3.387 1.00 0.00 C ATOM 961 NE ARG A 487 17.940 -3.583 3.506 1.00 0.00 N ATOM 962 CZ ARG A 487 18.877 -2.644 3.423 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.536 -1.379 3.222 1.00 0.00 N ATOM 964 NH2 ARG A 487 20.157 -2.971 3.541 1.00 0.00 N ATOM 0 H ARG A 487 13.861 -7.354 2.406 1.00 0.00 H new ATOM 0 HA ARG A 487 13.445 -4.721 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.126 -6.403 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.269 -5.798 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.734 -3.901 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.194 -4.691 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.232 -3.283 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 487 16.294 -2.323 3.798 1.00 0.00 H new ATOM 0 HE ARG A 487 18.235 -4.547 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 487 17.553 -1.124 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.257 -0.660 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 487 20.423 -3.944 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 487 20.876 -2.250 3.477 1.00 0.00 H new ATOM 978 N GLU A 488 15.554 -5.132 0.205 1.00 0.00 N ATOM 979 CA GLU A 488 16.107 -4.477 -0.974 1.00 0.00 C ATOM 980 C GLU A 488 15.003 -3.829 -1.805 1.00 0.00 C ATOM 981 O GLU A 488 15.097 -2.659 -2.178 1.00 0.00 O ATOM 982 CB GLU A 488 16.878 -5.485 -1.830 1.00 0.00 C ATOM 983 CG GLU A 488 17.505 -4.875 -3.072 1.00 0.00 C ATOM 984 CD GLU A 488 17.841 -5.913 -4.125 1.00 0.00 C ATOM 985 OE1 GLU A 488 16.995 -6.795 -4.382 1.00 0.00 O ATOM 986 OE2 GLU A 488 18.952 -5.843 -4.693 1.00 0.00 O ATOM 0 H GLU A 488 15.854 -6.099 0.331 1.00 0.00 H new ATOM 0 HA GLU A 488 16.791 -3.697 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 488 17.661 -5.940 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 488 16.202 -6.286 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 488 16.821 -4.140 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.413 -4.340 -2.791 1.00 0.00 H new ATOM 993 N LEU A 489 13.957 -4.596 -2.090 1.00 0.00 N ATOM 994 CA LEU A 489 12.834 -4.098 -2.876 1.00 0.00 C ATOM 995 C LEU A 489 12.431 -2.698 -2.423 1.00 0.00 C ATOM 996 O LEU A 489 12.556 -1.730 -3.175 1.00 0.00 O ATOM 997 CB LEU A 489 11.641 -5.048 -2.758 1.00 0.00 C ATOM 998 CG LEU A 489 11.860 -6.469 -3.279 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.611 -7.312 -3.072 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.251 -6.443 -4.750 1.00 0.00 C ATOM 0 H LEU A 489 13.863 -5.566 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 489 13.147 -4.047 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.352 -5.108 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.800 -4.611 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 489 12.676 -6.921 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 489 10.786 -8.320 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.375 -7.358 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.776 -6.863 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.403 -7.463 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.457 -5.972 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.174 -5.876 -4.871 1.00 0.00 H new ATOM 1012 N LEU A 490 11.948 -2.597 -1.190 1.00 0.00 N ATOM 1013 CA LEU A 490 11.528 -1.315 -0.635 1.00 0.00 C ATOM 1014 C LEU A 490 12.491 -0.204 -1.042 1.00 0.00 C ATOM 1015 O LEU A 490 12.089 0.788 -1.649 1.00 0.00 O ATOM 1016 CB LEU A 490 11.444 -1.400 0.890 1.00 0.00 C ATOM 1017 CG LEU A 490 10.205 -2.094 1.456 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.404 -2.424 2.928 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.972 -1.224 1.264 1.00 0.00 C ATOM 0 H LEU A 490 11.837 -3.388 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 490 10.541 -1.080 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.328 -1.924 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.485 -0.388 1.293 1.00 0.00 H new ATOM 0 HG LEU A 490 10.054 -3.027 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.512 -2.918 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.262 -3.087 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.580 -1.505 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.100 -1.734 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 490 9.113 -0.275 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.819 -1.039 0.201 1.00 0.00 H new ATOM 1031 N ASP A 491 13.764 -0.379 -0.705 1.00 0.00 N ATOM 1032 CA ASP A 491 14.786 0.606 -1.038 1.00 0.00 C ATOM 1033 C ASP A 491 14.631 1.085 -2.478 1.00 0.00 C ATOM 1034 O ASP A 491 14.787 2.270 -2.770 1.00 0.00 O ATOM 1035 CB ASP A 491 16.181 0.016 -0.831 1.00 0.00 C ATOM 1036 CG ASP A 491 16.500 -0.219 0.633 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.706 -0.905 1.310 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.542 0.285 1.102 1.00 0.00 O ATOM 0 H ASP A 491 14.113 -1.194 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 491 14.660 1.461 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.257 -0.927 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.924 0.690 -1.258 1.00 0.00 H new ATOM 1043 N LYS A 492 14.323 0.154 -3.375 1.00 0.00 N ATOM 1044 CA LYS A 492 14.147 0.479 -4.785 1.00 0.00 C ATOM 1045 C LYS A 492 12.796 1.145 -5.025 1.00 0.00 C ATOM 1046 O LYS A 492 12.720 2.219 -5.622 1.00 0.00 O ATOM 1047 CB LYS A 492 14.262 -0.785 -5.640 1.00 0.00 C ATOM 1048 CG LYS A 492 14.228 -0.515 -7.134 1.00 0.00 C ATOM 1049 CD LYS A 492 15.493 0.183 -7.604 1.00 0.00 C ATOM 1050 CE LYS A 492 16.547 -0.818 -8.052 1.00 0.00 C ATOM 1051 NZ LYS A 492 17.474 -1.180 -6.944 1.00 0.00 N ATOM 0 H LYS A 492 14.190 -0.832 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 492 14.934 1.177 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.192 -1.297 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.447 -1.462 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.109 -1.456 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.361 0.101 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.254 0.855 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 492 15.892 0.797 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 492 16.058 -1.718 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 492 17.118 -0.398 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 18.454 -1.166 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 17.373 -0.494 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 17.244 -2.133 -6.596 1.00 0.00 H new ATOM 1065 N MET A 493 11.732 0.502 -4.555 1.00 0.00 N ATOM 1066 CA MET A 493 10.384 1.035 -4.716 1.00 0.00 C ATOM 1067 C MET A 493 10.296 2.462 -4.183 1.00 0.00 C ATOM 1068 O MET A 493 10.054 3.404 -4.939 1.00 0.00 O ATOM 1069 CB MET A 493 9.371 0.145 -3.994 1.00 0.00 C ATOM 1070 CG MET A 493 7.941 0.342 -4.470 1.00 0.00 C ATOM 1071 SD MET A 493 7.166 1.806 -3.757 1.00 0.00 S ATOM 1072 CE MET A 493 6.825 1.232 -2.095 1.00 0.00 C ATOM 0 H MET A 493 11.777 -0.389 -4.060 1.00 0.00 H new ATOM 0 HA MET A 493 10.151 1.049 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.652 -0.899 -4.135 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.420 0.347 -2.924 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.932 0.424 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.352 -0.538 -4.212 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.748 1.143 -1.955 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.292 0.259 -1.943 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.227 1.944 -1.374 1.00 0.00 H new ATOM 1082 N LEU A 494 10.493 2.615 -2.879 1.00 0.00 N ATOM 1083 CA LEU A 494 10.436 3.927 -2.245 1.00 0.00 C ATOM 1084 C LEU A 494 11.260 4.946 -3.026 1.00 0.00 C ATOM 1085 O LEU A 494 10.747 5.982 -3.446 1.00 0.00 O ATOM 1086 CB LEU A 494 10.943 3.842 -0.804 1.00 0.00 C ATOM 1087 CG LEU A 494 10.054 3.074 0.176 1.00 0.00 C ATOM 1088 CD1 LEU A 494 10.879 2.535 1.334 1.00 0.00 C ATOM 1089 CD2 LEU A 494 8.931 3.964 0.687 1.00 0.00 C ATOM 0 H LEU A 494 10.694 1.846 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 494 9.397 4.255 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.928 3.375 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 494 11.075 4.856 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 494 9.610 2.229 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 494 10.230 1.992 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 494 11.647 1.863 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.352 3.364 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.309 3.401 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.356 4.829 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.323 4.301 -0.153 1.00 0.00 H new