USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 451 ASN : amide:sc= 1.67 K(o=1.9,f=-4.5!) USER MOD Set 1.2: A 454 SER OG : rot 76:sc= 0.225 USER MOD Set 2.1: A 402 ASN : amide:sc= 0.937 K(o=1.2,f=-4.1!) USER MOD Set 2.2: A 448 SER OG : rot 109:sc= 0.303 USER MOD Set 3.1: A 393 SER OG : rot -125:sc= 0.504 USER MOD Set 3.2: A 429 SER OG : rot 18:sc= 0.906 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 1.13 K(o=1.1,f=-3.1!) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 420 MET CE :methyl -166:sc= 0 (180deg=-0.241) USER MOD Single : A 422 MET CE :methyl -178:sc= -0.234 (180deg=-0.251) USER MOD Single : A 426 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1) USER MOD Single : A 431 LYS NZ :NH3+ 159:sc= 0.637 (180deg=0.4) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -77:sc= 0.0542 USER MOD Single : A 449 TYR OH : rot -160:sc= 0.878 USER MOD Single : A 456 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.47) USER MOD Single : A 460 GLN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : A 461 SER OG : rot 91:sc= 0.995 USER MOD Single : A 462 MET CE :methyl 160:sc= -0.638 (180deg=-1.29) USER MOD Single : A 463 ASN : amide:sc= 0.81 K(o=0.81,f=-6.4!) USER MOD Single : A 466 GLN : amide:sc= 0.938 K(o=0.94,f=-6.5!) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.56) USER MOD Single : A 477 LYS NZ :NH3+ 172:sc= 0.952 (180deg=0.885) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.285 1.693 -2.396 1.00 0.00 N ATOM 183 CA ALA A 391 -10.028 0.414 -1.729 1.00 0.00 C ATOM 184 C ALA A 391 -10.206 -0.773 -2.695 1.00 0.00 C ATOM 185 O ALA A 391 -11.282 -0.978 -3.263 1.00 0.00 O ATOM 186 CB ALA A 391 -10.950 0.303 -0.507 1.00 0.00 C ATOM 0 HA ALA A 391 -8.991 0.379 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.770 -0.645 -0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.746 1.126 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.990 0.349 -0.830 1.00 0.00 H new ATOM 192 N GLY A 392 -9.137 -1.553 -2.873 1.00 0.00 N ATOM 193 CA GLY A 392 -9.058 -2.729 -3.748 1.00 0.00 C ATOM 194 C GLY A 392 -8.647 -2.405 -5.186 1.00 0.00 C ATOM 195 O GLY A 392 -8.468 -3.323 -5.985 1.00 0.00 O ATOM 0 H GLY A 392 -8.258 -1.374 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.343 -3.436 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.028 -3.226 -3.761 1.00 0.00 H new ATOM 199 N SER A 393 -8.474 -1.126 -5.518 1.00 0.00 N ATOM 200 CA SER A 393 -8.083 -0.655 -6.853 1.00 0.00 C ATOM 201 C SER A 393 -6.590 -0.908 -7.155 1.00 0.00 C ATOM 202 O SER A 393 -5.761 -1.020 -6.249 1.00 0.00 O ATOM 203 CB SER A 393 -8.418 0.835 -6.971 1.00 0.00 C ATOM 204 OG SER A 393 -8.102 1.350 -8.255 1.00 0.00 O ATOM 0 H SER A 393 -8.605 -0.366 -4.850 1.00 0.00 H new ATOM 0 HA SER A 393 -8.644 -1.224 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.479 0.985 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.869 1.392 -6.212 1.00 0.00 H new ATOM 0 HG SER A 393 -7.510 2.125 -8.160 1.00 0.00 H new ATOM 210 N GLN A 394 -6.242 -0.988 -8.444 1.00 0.00 N ATOM 211 CA GLN A 394 -4.878 -1.229 -8.936 1.00 0.00 C ATOM 212 C GLN A 394 -4.344 -0.062 -9.793 1.00 0.00 C ATOM 213 O GLN A 394 -3.286 -0.179 -10.417 1.00 0.00 O ATOM 214 CB GLN A 394 -4.827 -2.581 -9.671 1.00 0.00 C ATOM 215 CG GLN A 394 -5.091 -3.764 -8.724 1.00 0.00 C ATOM 216 CD GLN A 394 -4.944 -5.110 -9.437 1.00 0.00 C ATOM 217 OE1 GLN A 394 -3.888 -5.730 -9.443 1.00 0.00 O ATOM 218 NE2 GLN A 394 -5.988 -5.618 -10.061 1.00 0.00 N ATOM 0 H GLN A 394 -6.921 -0.884 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.205 -1.281 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.566 -2.586 -10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.850 -2.702 -10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.396 -3.720 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.096 -3.680 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -6.875 -5.114 -10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -5.909 -6.515 -10.540 1.00 0.00 H new ATOM 227 N LYS A 395 -5.044 1.080 -9.819 1.00 0.00 N ATOM 228 CA LYS A 395 -4.529 2.331 -10.388 1.00 0.00 C ATOM 229 C LYS A 395 -3.318 2.877 -9.601 1.00 0.00 C ATOM 230 O LYS A 395 -3.072 2.502 -8.451 1.00 0.00 O ATOM 231 CB LYS A 395 -5.653 3.386 -10.417 1.00 0.00 C ATOM 232 CG LYS A 395 -6.403 3.437 -11.755 1.00 0.00 C ATOM 233 CD LYS A 395 -7.288 4.693 -11.845 1.00 0.00 C ATOM 234 CE LYS A 395 -6.492 6.014 -11.894 1.00 0.00 C ATOM 235 NZ LYS A 395 -5.836 6.237 -13.211 1.00 0.00 N ATOM 0 H LYS A 395 -5.989 1.162 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.188 2.117 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.363 3.172 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.226 4.367 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -5.687 3.433 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.020 2.545 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.913 4.623 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -7.959 4.716 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -7.163 6.846 -11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.734 6.007 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -5.315 7.137 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -5.175 5.458 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -6.559 6.272 -13.958 1.00 0.00 H new ATOM 249 N GLU A 396 -2.602 3.828 -10.205 1.00 0.00 N ATOM 250 CA GLU A 396 -1.487 4.540 -9.580 1.00 0.00 C ATOM 251 C GLU A 396 -1.335 5.975 -10.112 1.00 0.00 C ATOM 252 O GLU A 396 -1.912 6.336 -11.142 1.00 0.00 O ATOM 253 CB GLU A 396 -0.190 3.717 -9.701 1.00 0.00 C ATOM 254 CG GLU A 396 0.333 3.572 -11.135 1.00 0.00 C ATOM 255 CD GLU A 396 1.628 2.753 -11.175 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.612 1.555 -10.806 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.681 3.283 -11.602 1.00 0.00 O ATOM 0 H GLU A 396 -2.786 4.130 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.710 4.649 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.582 4.185 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.364 2.723 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.424 3.090 -11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.511 4.559 -11.561 1.00 0.00 H new ATOM 264 N GLY A 397 -0.578 6.794 -9.376 1.00 0.00 N ATOM 265 CA GLY A 397 -0.340 8.217 -9.636 1.00 0.00 C ATOM 266 C GLY A 397 1.033 8.509 -10.267 1.00 0.00 C ATOM 267 O GLY A 397 1.650 7.602 -10.838 1.00 0.00 O ATOM 0 H GLY A 397 -0.091 6.467 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.121 8.592 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.424 8.768 -8.699 1.00 0.00 H new ATOM 271 N PRO A 398 1.506 9.772 -10.197 1.00 0.00 N ATOM 272 CA PRO A 398 2.733 10.225 -10.853 1.00 0.00 C ATOM 273 C PRO A 398 4.005 9.735 -10.141 1.00 0.00 C ATOM 274 O PRO A 398 3.950 9.054 -9.116 1.00 0.00 O ATOM 275 CB PRO A 398 2.621 11.756 -10.876 1.00 0.00 C ATOM 276 CG PRO A 398 1.820 12.067 -9.616 1.00 0.00 C ATOM 277 CD PRO A 398 0.839 10.897 -9.548 1.00 0.00 C ATOM 0 HA PRO A 398 2.828 9.812 -11.857 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.602 12.232 -10.857 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.113 12.109 -11.773 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.456 12.114 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.305 13.025 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.588 10.658 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.095 11.141 -10.054 1.00 0.00 H new ATOM 285 N GLU A 399 5.167 10.093 -10.697 1.00 0.00 N ATOM 286 CA GLU A 399 6.491 9.748 -10.166 1.00 0.00 C ATOM 287 C GLU A 399 6.649 10.190 -8.698 1.00 0.00 C ATOM 288 O GLU A 399 6.466 11.362 -8.357 1.00 0.00 O ATOM 289 CB GLU A 399 7.568 10.378 -11.065 1.00 0.00 C ATOM 290 CG GLU A 399 8.991 9.948 -10.686 1.00 0.00 C ATOM 291 CD GLU A 399 10.020 10.562 -11.648 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.296 9.957 -12.712 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.562 11.652 -11.348 1.00 0.00 O ATOM 0 H GLU A 399 5.214 10.646 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 399 6.607 8.664 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.375 10.102 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.494 11.464 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.210 10.259 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.066 8.861 -10.711 1.00 0.00 H new ATOM 300 N GLY A 400 6.981 9.232 -7.822 1.00 0.00 N ATOM 301 CA GLY A 400 7.181 9.448 -6.382 1.00 0.00 C ATOM 302 C GLY A 400 5.907 9.345 -5.536 1.00 0.00 C ATOM 303 O GLY A 400 5.991 9.422 -4.313 1.00 0.00 O ATOM 0 H GLY A 400 7.121 8.261 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.904 8.719 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.620 10.434 -6.234 1.00 0.00 H new ATOM 307 N ALA A 401 4.733 9.178 -6.156 1.00 0.00 N ATOM 308 CA ALA A 401 3.435 9.132 -5.471 1.00 0.00 C ATOM 309 C ALA A 401 2.958 7.712 -5.102 1.00 0.00 C ATOM 310 O ALA A 401 1.910 7.567 -4.470 1.00 0.00 O ATOM 311 CB ALA A 401 2.412 9.848 -6.359 1.00 0.00 C ATOM 0 H ALA A 401 4.657 9.069 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 401 3.546 9.634 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.435 9.830 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.723 10.882 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.349 9.342 -7.322 1.00 0.00 H new ATOM 317 N ASN A 402 3.707 6.673 -5.487 1.00 0.00 N ATOM 318 CA ASN A 402 3.276 5.270 -5.430 1.00 0.00 C ATOM 319 C ASN A 402 4.120 4.467 -4.423 1.00 0.00 C ATOM 320 O ASN A 402 5.352 4.446 -4.511 1.00 0.00 O ATOM 321 CB ASN A 402 3.342 4.685 -6.852 1.00 0.00 C ATOM 322 CG ASN A 402 2.647 5.576 -7.887 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.631 6.210 -7.632 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.198 5.688 -9.080 1.00 0.00 N ATOM 0 H ASN A 402 4.651 6.786 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 402 2.249 5.208 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.385 4.549 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.879 3.698 -6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.778 6.299 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.044 5.164 -9.302 1.00 0.00 H new ATOM 331 N LEU A 403 3.452 3.820 -3.462 1.00 0.00 N ATOM 332 CA LEU A 403 4.027 3.193 -2.266 1.00 0.00 C ATOM 333 C LEU A 403 3.650 1.713 -2.135 1.00 0.00 C ATOM 334 O LEU A 403 2.492 1.343 -2.344 1.00 0.00 O ATOM 335 CB LEU A 403 3.496 3.892 -0.991 1.00 0.00 C ATOM 336 CG LEU A 403 3.499 5.429 -0.941 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.056 5.882 0.455 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.879 6.000 -1.258 1.00 0.00 C ATOM 0 H LEU A 403 2.438 3.714 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 403 5.108 3.289 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.471 3.557 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.083 3.532 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 403 2.808 5.801 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.055 6.971 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.052 5.509 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.746 5.488 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.842 7.088 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.601 5.631 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.181 5.688 -2.258 1.00 0.00 H new ATOM 350 N PHE A 404 4.602 0.903 -1.675 1.00 0.00 N ATOM 351 CA PHE A 404 4.406 -0.480 -1.239 1.00 0.00 C ATOM 352 C PHE A 404 4.633 -0.564 0.277 1.00 0.00 C ATOM 353 O PHE A 404 5.578 0.022 0.810 1.00 0.00 O ATOM 354 CB PHE A 404 5.344 -1.418 -2.005 1.00 0.00 C ATOM 355 CG PHE A 404 4.914 -1.672 -3.435 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.289 -0.782 -4.460 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.113 -2.791 -3.739 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.867 -1.015 -5.781 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.698 -3.024 -5.062 1.00 0.00 C ATOM 360 CZ PHE A 404 4.076 -2.137 -6.085 1.00 0.00 C ATOM 0 H PHE A 404 5.573 1.205 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 404 3.386 -0.797 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.348 -0.993 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.402 -2.370 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.900 0.079 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.817 -3.471 -2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.152 -0.329 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.088 -3.885 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.760 -2.317 -7.102 1.00 0.00 H new ATOM 370 N ILE A 405 3.730 -1.262 0.969 1.00 0.00 N ATOM 371 CA ILE A 405 3.631 -1.331 2.434 1.00 0.00 C ATOM 372 C ILE A 405 3.792 -2.797 2.858 1.00 0.00 C ATOM 373 O ILE A 405 3.185 -3.682 2.259 1.00 0.00 O ATOM 374 CB ILE A 405 2.270 -0.761 2.926 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.998 0.739 2.650 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.154 -0.932 4.453 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.868 1.192 1.194 1.00 0.00 C ATOM 0 H ILE A 405 3.014 -1.821 0.505 1.00 0.00 H new ATOM 0 HA ILE A 405 4.417 -0.725 2.886 1.00 0.00 H new ATOM 0 HB ILE A 405 1.543 -1.332 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.078 1.012 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.803 1.314 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.199 -0.531 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.214 -1.990 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.967 -0.395 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.679 2.265 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.792 0.970 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.040 0.664 0.721 1.00 0.00 H new ATOM 389 N TYR A 406 4.574 -3.055 3.905 1.00 0.00 N ATOM 390 CA TYR A 406 4.890 -4.400 4.407 1.00 0.00 C ATOM 391 C TYR A 406 4.769 -4.511 5.940 1.00 0.00 C ATOM 392 O TYR A 406 4.810 -3.512 6.661 1.00 0.00 O ATOM 393 CB TYR A 406 6.304 -4.808 3.959 1.00 0.00 C ATOM 394 CG TYR A 406 6.643 -4.561 2.499 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.361 -5.544 1.531 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.263 -3.354 2.113 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.695 -5.325 0.182 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.595 -3.125 0.764 1.00 0.00 C ATOM 399 CZ TYR A 406 7.317 -4.117 -0.206 1.00 0.00 C ATOM 400 OH TYR A 406 7.652 -3.920 -1.512 1.00 0.00 O ATOM 0 H TYR A 406 5.021 -2.315 4.447 1.00 0.00 H new ATOM 0 HA TYR A 406 4.153 -5.081 3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.026 -4.271 4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.436 -5.870 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 406 5.887 -6.469 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.484 -2.602 2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.476 -6.081 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.060 -2.196 0.471 1.00 0.00 H new ATOM 0 HH TYR A 406 8.070 -3.039 -1.613 1.00 0.00 H new ATOM 410 N HIS A 407 4.627 -5.749 6.426 1.00 0.00 N ATOM 411 CA HIS A 407 4.465 -6.157 7.832 1.00 0.00 C ATOM 412 C HIS A 407 3.094 -5.773 8.443 1.00 0.00 C ATOM 413 O HIS A 407 2.974 -5.596 9.656 1.00 0.00 O ATOM 414 CB HIS A 407 5.686 -5.730 8.670 1.00 0.00 C ATOM 415 CG HIS A 407 6.983 -6.283 8.146 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.358 -7.627 8.183 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.961 -5.563 7.525 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.558 -7.683 7.583 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.946 -6.460 7.177 1.00 0.00 N ATOM 0 H HIS A 407 4.621 -6.556 5.802 1.00 0.00 H new ATOM 0 HA HIS A 407 4.441 -7.247 7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.743 -4.642 8.689 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.546 -6.060 9.699 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.962 -4.499 7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.133 -8.586 7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.817 -6.237 6.696 1.00 0.00 H new ATOM 427 N LEU A 408 2.047 -5.668 7.614 1.00 0.00 N ATOM 428 CA LEU A 408 0.671 -5.338 8.032 1.00 0.00 C ATOM 429 C LEU A 408 0.052 -6.444 8.914 1.00 0.00 C ATOM 430 O LEU A 408 0.467 -7.603 8.806 1.00 0.00 O ATOM 431 CB LEU A 408 -0.211 -5.101 6.784 1.00 0.00 C ATOM 432 CG LEU A 408 0.101 -3.816 5.993 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.591 -3.869 4.623 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.377 -2.566 6.747 1.00 0.00 C ATOM 0 H LEU A 408 2.132 -5.813 6.608 1.00 0.00 H new ATOM 0 HA LEU A 408 0.716 -4.429 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.103 -5.955 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.255 -5.071 7.097 1.00 0.00 H new ATOM 0 HG LEU A 408 1.182 -3.755 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.368 -2.958 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.229 -4.733 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.669 -3.954 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.142 -1.676 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.454 -2.624 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.126 -2.509 7.712 1.00 0.00 H new ATOM 446 N PRO A 409 -0.941 -6.131 9.771 1.00 0.00 N ATOM 447 CA PRO A 409 -1.740 -7.138 10.466 1.00 0.00 C ATOM 448 C PRO A 409 -2.455 -8.073 9.477 1.00 0.00 C ATOM 449 O PRO A 409 -2.819 -7.665 8.374 1.00 0.00 O ATOM 450 CB PRO A 409 -2.740 -6.360 11.332 1.00 0.00 C ATOM 451 CG PRO A 409 -2.078 -4.995 11.515 1.00 0.00 C ATOM 452 CD PRO A 409 -1.325 -4.793 10.204 1.00 0.00 C ATOM 0 HA PRO A 409 -1.112 -7.786 11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.710 -6.272 10.842 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.910 -6.854 12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.815 -4.209 11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.404 -4.986 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -1.954 -4.304 9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.450 -4.159 10.347 1.00 0.00 H new ATOM 460 N GLN A 410 -2.693 -9.324 9.881 1.00 0.00 N ATOM 461 CA GLN A 410 -3.372 -10.348 9.067 1.00 0.00 C ATOM 462 C GLN A 410 -4.875 -10.076 8.856 1.00 0.00 C ATOM 463 O GLN A 410 -5.521 -10.721 8.033 1.00 0.00 O ATOM 464 CB GLN A 410 -3.120 -11.737 9.682 1.00 0.00 C ATOM 465 CG GLN A 410 -4.037 -12.152 10.850 1.00 0.00 C ATOM 466 CD GLN A 410 -4.060 -11.198 12.051 1.00 0.00 C ATOM 467 OE1 GLN A 410 -3.087 -10.533 12.390 1.00 0.00 O ATOM 468 NE2 GLN A 410 -5.189 -11.067 12.715 1.00 0.00 N ATOM 0 H GLN A 410 -2.415 -9.665 10.801 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.942 -10.310 8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.216 -12.482 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -2.088 -11.773 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -5.054 -12.253 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.727 -13.137 11.198 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -6.006 -11.614 12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -5.246 -10.419 13.500 1.00 0.00 H new ATOM 477 N GLU A 411 -5.421 -9.122 9.610 1.00 0.00 N ATOM 478 CA GLU A 411 -6.827 -8.698 9.614 1.00 0.00 C ATOM 479 C GLU A 411 -7.065 -7.326 8.952 1.00 0.00 C ATOM 480 O GLU A 411 -8.211 -6.915 8.761 1.00 0.00 O ATOM 481 CB GLU A 411 -7.328 -8.699 11.065 1.00 0.00 C ATOM 482 CG GLU A 411 -6.596 -7.719 11.998 1.00 0.00 C ATOM 483 CD GLU A 411 -6.944 -8.000 13.467 1.00 0.00 C ATOM 484 OE1 GLU A 411 -7.948 -7.447 13.975 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.207 -8.777 14.120 1.00 0.00 O ATOM 0 H GLU A 411 -4.861 -8.590 10.276 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.390 -9.407 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.391 -8.457 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.229 -9.707 11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.519 -7.806 11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.870 -6.695 11.744 1.00 0.00 H new ATOM 492 N PHE A 412 -5.986 -6.619 8.601 1.00 0.00 N ATOM 493 CA PHE A 412 -6.014 -5.314 7.934 1.00 0.00 C ATOM 494 C PHE A 412 -6.422 -5.473 6.462 1.00 0.00 C ATOM 495 O PHE A 412 -5.706 -6.118 5.696 1.00 0.00 O ATOM 496 CB PHE A 412 -4.630 -4.645 8.066 1.00 0.00 C ATOM 497 CG PHE A 412 -4.676 -3.232 8.603 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.010 -3.019 9.954 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.375 -2.135 7.774 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.047 -1.715 10.475 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.406 -0.830 8.299 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.744 -0.620 9.647 1.00 0.00 C ATOM 0 H PHE A 412 -5.038 -6.951 8.779 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.757 -4.674 8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.006 -5.252 8.723 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.148 -4.635 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.238 -3.860 10.591 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.121 -2.295 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.308 -1.554 11.511 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.170 0.012 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.771 0.383 10.047 1.00 0.00 H new ATOM 512 N GLY A 413 -7.559 -4.900 6.059 1.00 0.00 N ATOM 513 CA GLY A 413 -8.066 -4.952 4.683 1.00 0.00 C ATOM 514 C GLY A 413 -7.769 -3.695 3.871 1.00 0.00 C ATOM 515 O GLY A 413 -7.118 -2.760 4.333 1.00 0.00 O ATOM 0 H GLY A 413 -8.165 -4.377 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.629 -5.812 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.144 -5.111 4.708 1.00 0.00 H new ATOM 519 N ASP A 414 -8.291 -3.667 2.644 1.00 0.00 N ATOM 520 CA ASP A 414 -8.093 -2.576 1.681 1.00 0.00 C ATOM 521 C ASP A 414 -8.657 -1.234 2.182 1.00 0.00 C ATOM 522 O ASP A 414 -8.064 -0.182 1.943 1.00 0.00 O ATOM 523 CB ASP A 414 -8.766 -2.948 0.352 1.00 0.00 C ATOM 524 CG ASP A 414 -8.391 -4.349 -0.147 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.324 -4.481 -0.788 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.154 -5.303 0.126 1.00 0.00 O ATOM 0 H ASP A 414 -8.877 -4.419 2.281 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.019 -2.446 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.848 -2.890 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.490 -2.214 -0.405 1.00 0.00 H new ATOM 531 N GLN A 415 -9.778 -1.279 2.909 1.00 0.00 N ATOM 532 CA GLN A 415 -10.412 -0.104 3.515 1.00 0.00 C ATOM 533 C GLN A 415 -9.684 0.349 4.789 1.00 0.00 C ATOM 534 O GLN A 415 -9.637 1.547 5.064 1.00 0.00 O ATOM 535 CB GLN A 415 -11.888 -0.402 3.826 1.00 0.00 C ATOM 536 CG GLN A 415 -12.735 -0.623 2.558 1.00 0.00 C ATOM 537 CD GLN A 415 -14.219 -0.865 2.862 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.599 -1.499 3.841 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.123 -0.374 2.038 1.00 0.00 N ATOM 0 H GLN A 415 -10.279 -2.148 3.096 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.350 0.712 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.949 -1.289 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.308 0.426 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.640 0.247 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.339 -1.476 2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.830 0.157 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.115 -0.525 2.221 1.00 0.00 H new ATOM 548 N ASP A 416 -9.072 -0.571 5.543 1.00 0.00 N ATOM 549 CA ASP A 416 -8.273 -0.235 6.727 1.00 0.00 C ATOM 550 C ASP A 416 -6.960 0.448 6.320 1.00 0.00 C ATOM 551 O ASP A 416 -6.579 1.458 6.915 1.00 0.00 O ATOM 552 CB ASP A 416 -7.978 -1.490 7.563 1.00 0.00 C ATOM 553 CG ASP A 416 -9.251 -2.198 8.045 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.917 -1.681 8.973 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.561 -3.285 7.502 1.00 0.00 O ATOM 0 H ASP A 416 -9.117 -1.571 5.349 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.853 0.458 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.384 -2.185 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.374 -1.212 8.426 1.00 0.00 H new ATOM 560 N LEU A 417 -6.307 -0.050 5.260 1.00 0.00 N ATOM 561 CA LEU A 417 -5.124 0.581 4.680 1.00 0.00 C ATOM 562 C LEU A 417 -5.463 1.956 4.091 1.00 0.00 C ATOM 563 O LEU A 417 -4.730 2.911 4.339 1.00 0.00 O ATOM 564 CB LEU A 417 -4.497 -0.366 3.639 1.00 0.00 C ATOM 565 CG LEU A 417 -3.086 0.072 3.190 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.063 -0.069 4.327 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.631 -0.782 2.000 1.00 0.00 C ATOM 0 H LEU A 417 -6.590 -0.906 4.783 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.387 0.758 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.442 -1.371 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.149 -0.419 2.767 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.141 1.122 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.081 0.248 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.366 0.555 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.015 -1.110 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.635 -0.469 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.606 -1.831 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.328 -0.654 1.172 1.00 0.00 H new ATOM 579 N LEU A 418 -6.597 2.089 3.389 1.00 0.00 N ATOM 580 CA LEU A 418 -7.085 3.375 2.884 1.00 0.00 C ATOM 581 C LEU A 418 -7.307 4.373 4.028 1.00 0.00 C ATOM 582 O LEU A 418 -6.785 5.485 3.977 1.00 0.00 O ATOM 583 CB LEU A 418 -8.367 3.140 2.058 1.00 0.00 C ATOM 584 CG LEU A 418 -8.987 4.411 1.441 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.039 5.108 0.455 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.296 4.052 0.728 1.00 0.00 C ATOM 0 H LEU A 418 -7.203 1.302 3.156 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.332 3.820 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.141 2.438 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.111 2.664 2.697 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.178 5.108 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.524 5.996 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.125 5.398 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.794 4.425 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.732 4.951 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.094 3.328 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -10.994 3.621 1.445 1.00 0.00 H new ATOM 598 N GLN A 419 -8.036 3.989 5.078 1.00 0.00 N ATOM 599 CA GLN A 419 -8.358 4.882 6.198 1.00 0.00 C ATOM 600 C GLN A 419 -7.153 5.202 7.095 1.00 0.00 C ATOM 601 O GLN A 419 -7.164 6.235 7.765 1.00 0.00 O ATOM 602 CB GLN A 419 -9.534 4.307 7.003 1.00 0.00 C ATOM 603 CG GLN A 419 -10.853 4.427 6.216 1.00 0.00 C ATOM 604 CD GLN A 419 -12.067 3.819 6.925 1.00 0.00 C ATOM 605 OE1 GLN A 419 -12.043 3.422 8.085 1.00 0.00 O ATOM 606 NE2 GLN A 419 -13.197 3.743 6.249 1.00 0.00 N ATOM 0 H GLN A 419 -8.421 3.050 5.178 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.653 5.840 5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.341 3.260 7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.623 4.836 7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -11.051 5.481 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.731 3.941 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.236 4.068 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -14.032 3.359 6.692 1.00 0.00 H new ATOM 615 N MET A 420 -6.089 4.389 7.069 1.00 0.00 N ATOM 616 CA MET A 420 -4.822 4.695 7.746 1.00 0.00 C ATOM 617 C MET A 420 -3.904 5.617 6.920 1.00 0.00 C ATOM 618 O MET A 420 -3.072 6.308 7.509 1.00 0.00 O ATOM 619 CB MET A 420 -4.139 3.379 8.162 1.00 0.00 C ATOM 620 CG MET A 420 -2.941 3.628 9.089 1.00 0.00 C ATOM 621 SD MET A 420 -2.384 2.197 10.053 1.00 0.00 S ATOM 622 CE MET A 420 -1.465 1.290 8.786 1.00 0.00 C ATOM 0 H MET A 420 -6.083 3.496 6.575 1.00 0.00 H new ATOM 0 HA MET A 420 -5.041 5.270 8.646 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.862 2.738 8.666 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.805 2.845 7.272 1.00 0.00 H new ATOM 0 HG2 MET A 420 -2.106 3.984 8.486 1.00 0.00 H new ATOM 0 HG3 MET A 420 -3.200 4.430 9.780 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.268 0.276 9.135 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.052 1.251 7.869 1.00 0.00 H new ATOM 0 HE3 MET A 420 -0.520 1.796 8.590 1.00 0.00 H new ATOM 632 N PHE A 421 -4.080 5.691 5.591 1.00 0.00 N ATOM 633 CA PHE A 421 -3.230 6.474 4.678 1.00 0.00 C ATOM 634 C PHE A 421 -3.876 7.768 4.139 1.00 0.00 C ATOM 635 O PHE A 421 -3.154 8.719 3.833 1.00 0.00 O ATOM 636 CB PHE A 421 -2.701 5.565 3.553 1.00 0.00 C ATOM 637 CG PHE A 421 -1.476 4.737 3.929 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.556 3.728 4.910 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.234 4.990 3.308 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.412 2.995 5.271 1.00 0.00 C ATOM 641 CE2 PHE A 421 0.911 4.259 3.672 1.00 0.00 C ATOM 642 CZ PHE A 421 0.823 3.267 4.663 1.00 0.00 C ATOM 0 H PHE A 421 -4.833 5.198 5.111 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.391 6.839 5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.499 4.890 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.454 6.183 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.502 3.517 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.162 5.752 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.484 2.220 6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.857 4.460 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.704 2.715 4.956 1.00 0.00 H new ATOM 652 N MET A 422 -5.210 7.886 4.105 1.00 0.00 N ATOM 653 CA MET A 422 -5.916 9.141 3.811 1.00 0.00 C ATOM 654 C MET A 422 -5.526 10.349 4.699 1.00 0.00 C ATOM 655 O MET A 422 -5.513 11.462 4.166 1.00 0.00 O ATOM 656 CB MET A 422 -7.431 8.899 3.874 1.00 0.00 C ATOM 657 CG MET A 422 -7.970 8.260 2.589 1.00 0.00 C ATOM 658 SD MET A 422 -9.777 8.268 2.403 1.00 0.00 S ATOM 659 CE MET A 422 -10.298 7.372 3.889 1.00 0.00 C ATOM 0 H MET A 422 -5.838 7.102 4.283 1.00 0.00 H new ATOM 0 HA MET A 422 -5.602 9.427 2.807 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.659 8.253 4.722 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.941 9.846 4.048 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.533 8.779 1.736 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.623 7.228 2.545 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.383 7.269 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.840 6.383 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 422 -9.985 7.924 4.775 1.00 0.00 H new ATOM 669 N PRO A 423 -5.166 10.190 5.995 1.00 0.00 N ATOM 670 CA PRO A 423 -4.673 11.281 6.840 1.00 0.00 C ATOM 671 C PRO A 423 -3.416 12.007 6.330 1.00 0.00 C ATOM 672 O PRO A 423 -3.161 13.128 6.769 1.00 0.00 O ATOM 673 CB PRO A 423 -4.416 10.653 8.214 1.00 0.00 C ATOM 674 CG PRO A 423 -5.434 9.519 8.269 1.00 0.00 C ATOM 675 CD PRO A 423 -5.435 9.025 6.827 1.00 0.00 C ATOM 0 HA PRO A 423 -5.424 12.071 6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.395 10.283 8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.567 11.371 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -5.137 8.737 8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.418 9.869 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.675 8.258 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.395 8.577 6.570 1.00 0.00 H new ATOM 683 N PHE A 424 -2.646 11.413 5.405 1.00 0.00 N ATOM 684 CA PHE A 424 -1.430 12.020 4.837 1.00 0.00 C ATOM 685 C PHE A 424 -1.679 12.764 3.516 1.00 0.00 C ATOM 686 O PHE A 424 -0.823 13.534 3.075 1.00 0.00 O ATOM 687 CB PHE A 424 -0.354 10.938 4.670 1.00 0.00 C ATOM 688 CG PHE A 424 -0.193 10.048 5.886 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.098 10.604 7.144 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.414 8.667 5.767 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.160 9.779 8.282 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.328 7.839 6.898 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.046 8.394 8.157 1.00 0.00 C ATOM 0 H PHE A 424 -2.851 10.489 5.026 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.085 12.781 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.604 10.319 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.600 11.417 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.274 11.665 7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.651 8.240 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.366 10.209 9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.479 6.774 6.800 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.012 7.758 9.028 1.00 0.00 H new ATOM 703 N GLY A 425 -2.860 12.574 2.914 1.00 0.00 N ATOM 704 CA GLY A 425 -3.351 13.344 1.765 1.00 0.00 C ATOM 705 C GLY A 425 -4.202 12.553 0.773 1.00 0.00 C ATOM 706 O GLY A 425 -4.813 11.536 1.105 1.00 0.00 O ATOM 0 H GLY A 425 -3.519 11.859 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.938 14.185 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.495 13.762 1.234 1.00 0.00 H new ATOM 710 N ASN A 426 -4.273 13.055 -0.461 1.00 0.00 N ATOM 711 CA ASN A 426 -5.201 12.582 -1.492 1.00 0.00 C ATOM 712 C ASN A 426 -4.789 11.215 -2.086 1.00 0.00 C ATOM 713 O ASN A 426 -4.132 11.148 -3.128 1.00 0.00 O ATOM 714 CB ASN A 426 -5.359 13.688 -2.552 1.00 0.00 C ATOM 715 CG ASN A 426 -6.432 13.387 -3.600 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.178 12.418 -3.521 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.551 14.231 -4.610 1.00 0.00 N ATOM 0 H ASN A 426 -3.675 13.818 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.175 12.390 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.604 14.625 -2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.404 13.836 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.263 14.076 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -5.930 15.038 -4.676 1.00 0.00 H new ATOM 724 N VAL A 427 -5.175 10.127 -1.412 1.00 0.00 N ATOM 725 CA VAL A 427 -5.037 8.740 -1.898 1.00 0.00 C ATOM 726 C VAL A 427 -5.953 8.523 -3.113 1.00 0.00 C ATOM 727 O VAL A 427 -7.152 8.786 -3.050 1.00 0.00 O ATOM 728 CB VAL A 427 -5.360 7.694 -0.799 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.268 6.258 -1.346 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.404 7.796 0.398 1.00 0.00 C ATOM 0 H VAL A 427 -5.604 10.182 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 427 -3.995 8.596 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.377 7.913 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.500 5.550 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.980 6.133 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.259 6.073 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.670 7.044 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.381 7.628 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.482 8.788 0.842 1.00 0.00 H new ATOM 740 N VAL A 428 -5.375 8.015 -4.202 1.00 0.00 N ATOM 741 CA VAL A 428 -6.061 7.638 -5.452 1.00 0.00 C ATOM 742 C VAL A 428 -6.487 6.163 -5.422 1.00 0.00 C ATOM 743 O VAL A 428 -7.551 5.822 -5.934 1.00 0.00 O ATOM 744 CB VAL A 428 -5.149 7.924 -6.674 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.668 7.337 -8.000 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.964 9.441 -6.854 1.00 0.00 C ATOM 0 H VAL A 428 -4.370 7.845 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.963 8.243 -5.544 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.203 7.430 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.973 7.582 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.752 6.254 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.647 7.759 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.322 9.630 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.935 9.909 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.504 9.860 -5.959 1.00 0.00 H new ATOM 756 N SER A 429 -5.689 5.287 -4.803 1.00 0.00 N ATOM 757 CA SER A 429 -5.914 3.834 -4.721 1.00 0.00 C ATOM 758 C SER A 429 -5.139 3.226 -3.541 1.00 0.00 C ATOM 759 O SER A 429 -4.048 3.698 -3.215 1.00 0.00 O ATOM 760 CB SER A 429 -5.482 3.152 -6.029 1.00 0.00 C ATOM 761 OG SER A 429 -6.412 3.403 -7.072 1.00 0.00 O ATOM 0 H SER A 429 -4.836 5.578 -4.326 1.00 0.00 H new ATOM 0 HA SER A 429 -6.979 3.667 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.497 3.514 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.392 2.077 -5.869 1.00 0.00 H new ATOM 0 HG SER A 429 -6.975 4.168 -6.831 1.00 0.00 H new ATOM 767 N ALA A 430 -5.687 2.177 -2.918 1.00 0.00 N ATOM 768 CA ALA A 430 -5.102 1.448 -1.790 1.00 0.00 C ATOM 769 C ALA A 430 -5.576 -0.014 -1.792 1.00 0.00 C ATOM 770 O ALA A 430 -6.741 -0.289 -2.077 1.00 0.00 O ATOM 771 CB ALA A 430 -5.489 2.147 -0.480 1.00 0.00 C ATOM 0 H ALA A 430 -6.591 1.797 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.016 1.446 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.056 1.607 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.112 3.170 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.574 2.161 -0.382 1.00 0.00 H new ATOM 777 N LYS A 431 -4.693 -0.961 -1.477 1.00 0.00 N ATOM 778 CA LYS A 431 -4.948 -2.398 -1.641 1.00 0.00 C ATOM 779 C LYS A 431 -4.114 -3.268 -0.681 1.00 0.00 C ATOM 780 O LYS A 431 -2.980 -2.923 -0.356 1.00 0.00 O ATOM 781 CB LYS A 431 -4.689 -2.768 -3.108 1.00 0.00 C ATOM 782 CG LYS A 431 -5.178 -4.187 -3.432 1.00 0.00 C ATOM 783 CD LYS A 431 -5.181 -4.392 -4.941 1.00 0.00 C ATOM 784 CE LYS A 431 -5.701 -5.776 -5.352 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.174 -5.909 -5.175 1.00 0.00 N ATOM 0 H LYS A 431 -3.770 -0.753 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.987 -2.601 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.193 -2.052 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.622 -2.694 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.531 -4.924 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.181 -4.338 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -5.799 -3.624 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -4.169 -4.261 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.446 -5.961 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -5.197 -6.540 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.527 -6.684 -5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.387 -6.116 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -7.638 -5.020 -5.451 1.00 0.00 H new ATOM 799 N VAL A 432 -4.653 -4.418 -0.281 1.00 0.00 N ATOM 800 CA VAL A 432 -3.993 -5.460 0.523 1.00 0.00 C ATOM 801 C VAL A 432 -4.214 -6.813 -0.158 1.00 0.00 C ATOM 802 O VAL A 432 -5.314 -7.102 -0.630 1.00 0.00 O ATOM 803 CB VAL A 432 -4.531 -5.516 1.974 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.746 -6.556 2.790 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.426 -4.168 2.704 1.00 0.00 C ATOM 0 H VAL A 432 -5.613 -4.667 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.931 -5.220 0.584 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.584 -5.785 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.133 -6.587 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.856 -7.538 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.691 -6.282 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.818 -4.271 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.382 -3.859 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.003 -3.417 2.165 1.00 0.00 H new ATOM 815 N PHE A 433 -3.165 -7.636 -0.218 1.00 0.00 N ATOM 816 CA PHE A 433 -3.198 -8.953 -0.854 1.00 0.00 C ATOM 817 C PHE A 433 -3.679 -10.025 0.140 1.00 0.00 C ATOM 818 O PHE A 433 -3.258 -10.047 1.296 1.00 0.00 O ATOM 819 CB PHE A 433 -1.816 -9.232 -1.463 1.00 0.00 C ATOM 820 CG PHE A 433 -1.449 -8.221 -2.540 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.915 -8.395 -3.859 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.709 -7.068 -2.215 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.638 -7.426 -4.841 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.432 -6.099 -3.195 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.897 -6.276 -4.509 1.00 0.00 C ATOM 0 H PHE A 433 -2.256 -7.402 0.180 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.923 -8.979 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -1.063 -9.211 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.804 -10.235 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.486 -9.275 -4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -0.352 -6.927 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.994 -7.565 -5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.138 -5.219 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.686 -5.532 -5.263 1.00 0.00 H new ATOM 963 N LYS A 442 -1.962 -11.142 3.617 1.00 0.00 N ATOM 964 CA LYS A 442 -0.590 -11.662 3.497 1.00 0.00 C ATOM 965 C LYS A 442 0.491 -10.775 4.163 1.00 0.00 C ATOM 966 O LYS A 442 1.687 -10.989 3.958 1.00 0.00 O ATOM 967 CB LYS A 442 -0.287 -11.904 2.004 1.00 0.00 C ATOM 968 CG LYS A 442 -1.168 -12.995 1.375 1.00 0.00 C ATOM 969 CD LYS A 442 -0.757 -13.238 -0.084 1.00 0.00 C ATOM 970 CE LYS A 442 -1.585 -14.382 -0.681 1.00 0.00 C ATOM 971 NZ LYS A 442 -1.213 -14.657 -2.093 1.00 0.00 N ATOM 0 HA LYS A 442 -0.544 -12.599 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.427 -10.972 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 442 0.761 -12.184 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -1.075 -13.920 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -2.215 -12.697 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.904 -12.329 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.304 -13.482 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.441 -15.284 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.644 -14.130 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.795 -15.437 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -1.374 -13.805 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 -0.209 -14.922 -2.142 1.00 0.00 H new ATOM 985 N CYS A 443 0.067 -9.754 4.917 1.00 0.00 N ATOM 986 CA CYS A 443 0.888 -8.760 5.626 1.00 0.00 C ATOM 987 C CYS A 443 1.590 -7.749 4.695 1.00 0.00 C ATOM 988 O CYS A 443 2.522 -7.079 5.134 1.00 0.00 O ATOM 989 CB CYS A 443 1.864 -9.437 6.607 1.00 0.00 C ATOM 990 SG CYS A 443 0.974 -10.561 7.727 1.00 0.00 S ATOM 0 H CYS A 443 -0.929 -9.587 5.059 1.00 0.00 H new ATOM 0 HA CYS A 443 0.194 -8.158 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.619 -9.992 6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.389 -8.678 7.187 1.00 0.00 H new ATOM 0 HG CYS A 443 0.363 -9.868 8.642 1.00 0.00 H new ATOM 996 N PHE A 444 1.149 -7.591 3.442 1.00 0.00 N ATOM 997 CA PHE A 444 1.670 -6.568 2.530 1.00 0.00 C ATOM 998 C PHE A 444 0.585 -6.007 1.601 1.00 0.00 C ATOM 999 O PHE A 444 -0.434 -6.651 1.338 1.00 0.00 O ATOM 1000 CB PHE A 444 2.903 -7.086 1.766 1.00 0.00 C ATOM 1001 CG PHE A 444 2.607 -8.035 0.617 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.443 -9.412 0.855 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.507 -7.540 -0.698 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.163 -10.288 -0.211 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.235 -8.416 -1.765 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.057 -9.789 -1.521 1.00 0.00 C ATOM 0 H PHE A 444 0.418 -8.172 3.031 1.00 0.00 H new ATOM 0 HA PHE A 444 2.001 -5.724 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.453 -6.230 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.561 -7.592 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.532 -9.799 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 444 2.639 -6.485 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.030 -11.343 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.163 -8.033 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.839 -10.460 -2.339 1.00 0.00 H new ATOM 1016 N GLY A 445 0.812 -4.776 1.141 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.135 -3.951 0.397 1.00 0.00 C ATOM 1018 C GLY A 445 0.529 -2.842 -0.420 1.00 0.00 C ATOM 1019 O GLY A 445 1.753 -2.772 -0.548 1.00 0.00 O ATOM 0 H GLY A 445 1.706 -4.306 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.711 -4.589 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.841 -3.503 1.096 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.304 -1.972 -0.984 1.00 0.00 N ATOM 1024 CA PHE A 446 0.056 -0.951 -1.966 1.00 0.00 C ATOM 1025 C PHE A 446 -0.859 0.273 -1.809 1.00 0.00 C ATOM 1026 O PHE A 446 -2.047 0.107 -1.544 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.068 -1.590 -3.360 1.00 0.00 C ATOM 1028 CG PHE A 446 0.160 -0.649 -4.527 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.459 -0.193 -4.816 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.920 -0.242 -5.335 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.681 0.670 -5.903 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.696 0.614 -6.427 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.605 1.068 -6.713 1.00 0.00 C ATOM 0 H PHE A 446 -1.299 -1.958 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 446 1.077 -0.600 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.647 -2.410 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.063 -2.025 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.289 -0.507 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.919 -0.588 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.678 1.027 -6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.524 0.924 -7.048 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.776 1.722 -7.555 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.325 1.488 -1.961 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.068 2.760 -1.838 1.00 0.00 C ATOM 1045 C VAL A 447 -0.487 3.781 -2.815 1.00 0.00 C ATOM 1046 O VAL A 447 0.726 3.911 -2.909 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.023 3.352 -0.402 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.805 4.674 -0.296 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.594 2.392 0.655 1.00 0.00 C ATOM 0 H VAL A 447 0.662 1.625 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.111 2.544 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 447 0.036 3.523 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.746 5.051 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.375 5.407 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.849 4.502 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.537 2.858 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.634 2.168 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.016 1.468 0.657 1.00 0.00 H new ATOM 1059 N SER A 448 -1.331 4.528 -3.522 1.00 0.00 N ATOM 1060 CA SER A 448 -0.901 5.572 -4.465 1.00 0.00 C ATOM 1061 C SER A 448 -1.697 6.869 -4.298 1.00 0.00 C ATOM 1062 O SER A 448 -2.914 6.848 -4.106 1.00 0.00 O ATOM 1063 CB SER A 448 -1.050 5.083 -5.908 1.00 0.00 C ATOM 1064 OG SER A 448 -0.145 4.029 -6.190 1.00 0.00 O ATOM 0 H SER A 448 -2.344 4.429 -3.460 1.00 0.00 H new ATOM 0 HA SER A 448 0.146 5.781 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.072 4.742 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.873 5.911 -6.595 1.00 0.00 H new ATOM 0 HG SER A 448 -0.640 3.188 -6.280 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.009 8.007 -4.405 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.549 9.357 -4.215 1.00 0.00 C ATOM 1072 C TYR A 449 -1.636 10.164 -5.524 1.00 0.00 C ATOM 1073 O TYR A 449 -1.051 9.809 -6.546 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.672 10.109 -3.198 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.744 9.591 -1.776 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.014 8.471 -1.385 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.581 10.234 -0.844 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.056 8.002 -0.061 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.656 9.771 0.481 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.896 8.648 0.870 1.00 0.00 C ATOM 1081 OH TYR A 449 -0.994 8.162 2.132 1.00 0.00 O ATOM 0 H TYR A 449 -0.016 8.015 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.569 9.251 -3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.364 10.063 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.961 11.160 -3.200 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.649 7.972 -2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.168 11.087 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.532 7.149 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.291 10.272 1.197 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.816 8.495 2.548 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.326 11.304 -5.464 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.366 12.332 -6.515 1.00 0.00 C ATOM 1093 C ASP A 450 -0.992 12.988 -6.781 1.00 0.00 C ATOM 1094 O ASP A 450 -0.766 13.537 -7.859 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.397 13.382 -6.070 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.431 14.632 -6.964 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.065 14.584 -8.045 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.845 15.663 -6.554 1.00 0.00 O ATOM 0 H ASP A 450 -2.895 11.549 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.645 11.868 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.387 12.925 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.176 13.684 -5.046 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.067 12.912 -5.817 1.00 0.00 N ATOM 1104 CA ASN A 451 1.218 13.618 -5.820 1.00 0.00 C ATOM 1105 C ASN A 451 2.236 12.988 -4.849 1.00 0.00 C ATOM 1106 O ASN A 451 1.838 12.352 -3.865 1.00 0.00 O ATOM 1107 CB ASN A 451 0.993 15.104 -5.470 1.00 0.00 C ATOM 1108 CG ASN A 451 0.228 15.308 -4.166 1.00 0.00 C ATOM 1109 OD1 ASN A 451 0.791 15.166 -3.089 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.049 15.635 -4.218 1.00 0.00 N ATOM 0 H ASN A 451 -0.198 12.337 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 451 1.640 13.533 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 451 1.959 15.603 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.446 15.583 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.576 15.772 -3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.509 15.751 -5.121 1.00 0.00 H new ATOM 1117 N PRO A 452 3.550 13.211 -5.069 1.00 0.00 N ATOM 1118 CA PRO A 452 4.590 12.755 -4.155 1.00 0.00 C ATOM 1119 C PRO A 452 4.600 13.489 -2.807 1.00 0.00 C ATOM 1120 O PRO A 452 5.195 12.965 -1.871 1.00 0.00 O ATOM 1121 CB PRO A 452 5.913 12.936 -4.905 1.00 0.00 C ATOM 1122 CG PRO A 452 5.628 14.045 -5.909 1.00 0.00 C ATOM 1123 CD PRO A 452 4.149 13.849 -6.238 1.00 0.00 C ATOM 0 HA PRO A 452 4.411 11.715 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.720 13.212 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.216 12.016 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.819 15.031 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.253 13.954 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.668 14.804 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.027 13.228 -7.125 1.00 0.00 H new ATOM 1131 N VAL A 453 3.941 14.650 -2.659 1.00 0.00 N ATOM 1132 CA VAL A 453 3.980 15.410 -1.388 1.00 0.00 C ATOM 1133 C VAL A 453 3.159 14.690 -0.306 1.00 0.00 C ATOM 1134 O VAL A 453 3.630 14.500 0.814 1.00 0.00 O ATOM 1135 CB VAL A 453 3.507 16.874 -1.564 1.00 0.00 C ATOM 1136 CG1 VAL A 453 3.576 17.663 -0.246 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.358 17.608 -2.619 1.00 0.00 C ATOM 0 H VAL A 453 3.379 15.083 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 453 5.021 15.453 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 453 2.469 16.824 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.235 18.684 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 453 2.937 17.186 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 453 4.604 17.679 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.004 18.634 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.402 17.614 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.271 17.096 -3.577 1.00 0.00 H new ATOM 1147 N SER A 454 1.966 14.211 -0.665 1.00 0.00 N ATOM 1148 CA SER A 454 1.110 13.396 0.211 1.00 0.00 C ATOM 1149 C SER A 454 1.703 11.998 0.463 1.00 0.00 C ATOM 1150 O SER A 454 1.538 11.428 1.542 1.00 0.00 O ATOM 1151 CB SER A 454 -0.278 13.238 -0.421 1.00 0.00 C ATOM 1152 OG SER A 454 -0.929 14.482 -0.649 1.00 0.00 O ATOM 0 H SER A 454 1.558 14.379 -1.585 1.00 0.00 H new ATOM 0 HA SER A 454 1.040 13.914 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.182 12.706 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.900 12.623 0.229 1.00 0.00 H new ATOM 0 HG SER A 454 -0.530 14.922 -1.428 1.00 0.00 H new ATOM 1158 N ALA A 455 2.444 11.459 -0.514 1.00 0.00 N ATOM 1159 CA ALA A 455 3.060 10.137 -0.433 1.00 0.00 C ATOM 1160 C ALA A 455 4.294 10.123 0.483 1.00 0.00 C ATOM 1161 O ALA A 455 4.389 9.279 1.370 1.00 0.00 O ATOM 1162 CB ALA A 455 3.384 9.689 -1.861 1.00 0.00 C ATOM 0 H ALA A 455 2.632 11.940 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 455 2.367 9.432 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.847 8.702 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.465 9.645 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.071 10.401 -2.319 1.00 0.00 H new ATOM 1168 N GLN A 456 5.207 11.089 0.338 1.00 0.00 N ATOM 1169 CA GLN A 456 6.382 11.227 1.210 1.00 0.00 C ATOM 1170 C GLN A 456 5.982 11.501 2.667 1.00 0.00 C ATOM 1171 O GLN A 456 6.649 11.022 3.586 1.00 0.00 O ATOM 1172 CB GLN A 456 7.293 12.351 0.683 1.00 0.00 C ATOM 1173 CG GLN A 456 8.067 11.966 -0.593 1.00 0.00 C ATOM 1174 CD GLN A 456 9.184 10.940 -0.373 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.510 10.534 0.736 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.822 10.476 -1.427 1.00 0.00 N ATOM 0 H GLN A 456 5.153 11.801 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 456 6.925 10.282 1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.687 13.234 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.005 12.626 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.363 11.567 -1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.499 12.868 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.568 10.800 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.570 9.793 -1.310 1.00 0.00 H new ATOM 1185 N ALA A 457 4.869 12.209 2.896 1.00 0.00 N ATOM 1186 CA ALA A 457 4.295 12.394 4.227 1.00 0.00 C ATOM 1187 C ALA A 457 3.800 11.076 4.852 1.00 0.00 C ATOM 1188 O ALA A 457 3.865 10.924 6.074 1.00 0.00 O ATOM 1189 CB ALA A 457 3.167 13.425 4.126 1.00 0.00 C ATOM 0 H ALA A 457 4.341 12.671 2.156 1.00 0.00 H new ATOM 0 HA ALA A 457 5.075 12.756 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.725 13.578 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.569 14.369 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.404 13.063 3.437 1.00 0.00 H new ATOM 1195 N ALA A 458 3.369 10.105 4.037 1.00 0.00 N ATOM 1196 CA ALA A 458 2.969 8.784 4.508 1.00 0.00 C ATOM 1197 C ALA A 458 4.190 7.919 4.831 1.00 0.00 C ATOM 1198 O ALA A 458 4.223 7.310 5.896 1.00 0.00 O ATOM 1199 CB ALA A 458 2.062 8.133 3.462 1.00 0.00 C ATOM 0 H ALA A 458 3.290 10.220 3.027 1.00 0.00 H new ATOM 0 HA ALA A 458 2.409 8.883 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.759 7.145 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.177 8.752 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.603 8.038 2.520 1.00 0.00 H new ATOM 1205 N ILE A 459 5.231 7.920 3.986 1.00 0.00 N ATOM 1206 CA ILE A 459 6.478 7.164 4.257 1.00 0.00 C ATOM 1207 C ILE A 459 7.098 7.616 5.586 1.00 0.00 C ATOM 1208 O ILE A 459 7.432 6.781 6.425 1.00 0.00 O ATOM 1209 CB ILE A 459 7.506 7.278 3.102 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.887 6.894 1.742 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.725 6.372 3.388 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.851 7.062 0.563 1.00 0.00 C ATOM 0 H ILE A 459 5.241 8.435 3.105 1.00 0.00 H new ATOM 0 HA ILE A 459 6.206 6.111 4.331 1.00 0.00 H new ATOM 0 HB ILE A 459 7.822 8.320 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.553 5.857 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.003 7.507 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.442 6.458 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.198 6.681 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.396 5.336 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.349 6.774 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.166 8.103 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.725 6.428 0.714 1.00 0.00 H new ATOM 1224 N GLN A 460 7.177 8.930 5.814 1.00 0.00 N ATOM 1225 CA GLN A 460 7.747 9.513 7.035 1.00 0.00 C ATOM 1226 C GLN A 460 6.870 9.303 8.286 1.00 0.00 C ATOM 1227 O GLN A 460 7.359 9.469 9.403 1.00 0.00 O ATOM 1228 CB GLN A 460 8.006 11.011 6.799 1.00 0.00 C ATOM 1229 CG GLN A 460 9.150 11.260 5.800 1.00 0.00 C ATOM 1230 CD GLN A 460 9.233 12.732 5.402 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.041 13.506 5.906 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.392 13.175 4.491 1.00 0.00 N ATOM 0 H GLN A 460 6.844 9.628 5.149 1.00 0.00 H new ATOM 0 HA GLN A 460 8.681 8.991 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.095 11.480 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.246 11.489 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.096 10.948 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 460 8.997 10.649 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.717 12.538 4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.415 14.155 4.209 1.00 0.00 H new ATOM 1241 N SER A 461 5.600 8.916 8.130 1.00 0.00 N ATOM 1242 CA SER A 461 4.674 8.655 9.248 1.00 0.00 C ATOM 1243 C SER A 461 4.424 7.161 9.518 1.00 0.00 C ATOM 1244 O SER A 461 4.043 6.794 10.633 1.00 0.00 O ATOM 1245 CB SER A 461 3.327 9.339 8.975 1.00 0.00 C ATOM 1246 OG SER A 461 3.460 10.747 8.845 1.00 0.00 O ATOM 0 H SER A 461 5.176 8.772 7.213 1.00 0.00 H new ATOM 0 HA SER A 461 5.156 9.062 10.137 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.892 8.931 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.635 9.114 9.787 1.00 0.00 H new ATOM 0 HG SER A 461 3.613 10.976 7.904 1.00 0.00 H new ATOM 1252 N MET A 462 4.635 6.293 8.518 1.00 0.00 N ATOM 1253 CA MET A 462 4.261 4.871 8.548 1.00 0.00 C ATOM 1254 C MET A 462 5.459 3.917 8.525 1.00 0.00 C ATOM 1255 O MET A 462 5.343 2.795 9.015 1.00 0.00 O ATOM 1256 CB MET A 462 3.327 4.556 7.368 1.00 0.00 C ATOM 1257 CG MET A 462 2.002 5.330 7.374 1.00 0.00 C ATOM 1258 SD MET A 462 0.589 4.514 8.165 1.00 0.00 S ATOM 1259 CE MET A 462 1.050 4.547 9.910 1.00 0.00 C ATOM 0 H MET A 462 5.082 6.567 7.643 1.00 0.00 H new ATOM 0 HA MET A 462 3.753 4.706 9.498 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.853 4.771 6.438 1.00 0.00 H new ATOM 0 HB3 MET A 462 3.108 3.488 7.371 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.167 6.285 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.733 5.553 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 462 0.159 4.416 10.524 1.00 0.00 H new ATOM 0 HE2 MET A 462 1.754 3.741 10.116 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.515 5.504 10.145 1.00 0.00 H new ATOM 1269 N ASN A 463 6.622 4.327 8.009 1.00 0.00 N ATOM 1270 CA ASN A 463 7.819 3.485 8.029 1.00 0.00 C ATOM 1271 C ASN A 463 8.377 3.379 9.465 1.00 0.00 C ATOM 1272 O ASN A 463 8.831 4.369 10.042 1.00 0.00 O ATOM 1273 CB ASN A 463 8.849 4.025 7.024 1.00 0.00 C ATOM 1274 CG ASN A 463 9.950 3.006 6.767 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.688 1.925 6.255 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.186 3.301 7.122 1.00 0.00 N ATOM 0 H ASN A 463 6.758 5.239 7.572 1.00 0.00 H new ATOM 0 HA ASN A 463 7.567 2.471 7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.352 4.272 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.285 4.948 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.935 2.625 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.392 4.205 7.548 1.00 0.00 H new ATOM 1283 N GLY A 464 8.303 2.179 10.053 1.00 0.00 N ATOM 1284 CA GLY A 464 8.643 1.893 11.456 1.00 0.00 C ATOM 1285 C GLY A 464 7.474 2.039 12.442 1.00 0.00 C ATOM 1286 O GLY A 464 7.683 1.862 13.642 1.00 0.00 O ATOM 0 H GLY A 464 7.994 1.349 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.031 0.877 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.447 2.562 11.765 1.00 0.00 H new ATOM 1290 N PHE A 465 6.257 2.343 11.970 1.00 0.00 N ATOM 1291 CA PHE A 465 5.060 2.513 12.808 1.00 0.00 C ATOM 1292 C PHE A 465 4.677 1.201 13.505 1.00 0.00 C ATOM 1293 O PHE A 465 4.543 0.170 12.845 1.00 0.00 O ATOM 1294 CB PHE A 465 3.910 3.016 11.926 1.00 0.00 C ATOM 1295 CG PHE A 465 2.584 3.216 12.640 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.338 4.422 13.323 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.576 2.230 12.580 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.093 4.645 13.940 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.331 2.458 13.193 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.089 3.664 13.871 1.00 0.00 C ATOM 0 H PHE A 465 6.073 2.480 10.976 1.00 0.00 H new ATOM 0 HA PHE A 465 5.270 3.242 13.591 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.207 3.963 11.475 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.762 2.307 11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.107 5.179 13.374 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.761 1.300 12.063 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.909 5.570 14.466 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.441 1.704 13.142 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.869 3.837 14.339 1.00 0.00 H new ATOM 1310 N GLN A 466 4.504 1.232 14.828 1.00 0.00 N ATOM 1311 CA GLN A 466 4.192 0.042 15.620 1.00 0.00 C ATOM 1312 C GLN A 466 2.678 -0.220 15.645 1.00 0.00 C ATOM 1313 O GLN A 466 1.882 0.672 15.939 1.00 0.00 O ATOM 1314 CB GLN A 466 4.803 0.178 17.026 1.00 0.00 C ATOM 1315 CG GLN A 466 4.785 -1.162 17.787 1.00 0.00 C ATOM 1316 CD GLN A 466 5.618 -1.132 19.070 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.768 -0.704 19.087 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.097 -1.607 20.183 1.00 0.00 N ATOM 0 H GLN A 466 4.577 2.086 15.381 1.00 0.00 H new ATOM 0 HA GLN A 466 4.642 -0.835 15.154 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.829 0.536 16.944 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.249 0.926 17.593 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.755 -1.419 18.035 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.162 -1.949 17.134 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.143 -1.967 20.186 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.648 -1.615 21.041 1.00 0.00 H new ATOM 1327 N ILE A 467 2.282 -1.459 15.337 1.00 0.00 N ATOM 1328 CA ILE A 467 0.890 -1.892 15.165 1.00 0.00 C ATOM 1329 C ILE A 467 0.741 -3.366 15.573 1.00 0.00 C ATOM 1330 O ILE A 467 1.561 -4.211 15.199 1.00 0.00 O ATOM 1331 CB ILE A 467 0.438 -1.587 13.713 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.100 -1.622 13.600 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.116 -2.495 12.671 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.642 -1.213 12.223 1.00 0.00 C ATOM 0 H ILE A 467 2.948 -2.218 15.195 1.00 0.00 H new ATOM 0 HA ILE A 467 0.224 -1.335 15.824 1.00 0.00 H new ATOM 0 HB ILE A 467 0.770 -0.575 13.480 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.447 -2.630 13.829 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.523 -0.960 14.355 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.760 -2.234 11.674 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.196 -2.359 12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.872 -3.536 12.882 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.731 -1.265 12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.329 -0.194 11.997 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.251 -1.889 11.463 1.00 0.00 H new ATOM 1392 N ARG A 471 6.273 -3.840 13.767 1.00 0.00 N ATOM 1393 CA ARG A 471 6.518 -2.535 13.128 1.00 0.00 C ATOM 1394 C ARG A 471 6.470 -2.634 11.599 1.00 0.00 C ATOM 1395 O ARG A 471 7.045 -3.552 11.009 1.00 0.00 O ATOM 1396 CB ARG A 471 7.850 -1.932 13.616 1.00 0.00 C ATOM 1397 CG ARG A 471 7.779 -1.569 15.108 1.00 0.00 C ATOM 1398 CD ARG A 471 9.076 -0.950 15.636 1.00 0.00 C ATOM 1399 NE ARG A 471 8.948 -0.648 17.072 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.908 -0.276 17.907 1.00 0.00 C ATOM 1401 NH1 ARG A 471 11.157 -0.106 17.523 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.595 -0.073 19.166 1.00 0.00 N ATOM 0 HA ARG A 471 5.715 -1.861 13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.658 -2.645 13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 471 8.085 -1.042 13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.958 -0.870 15.267 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.550 -2.466 15.684 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.907 -1.636 15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.303 -0.038 15.084 1.00 0.00 H new ATOM 0 HE ARG A 471 8.013 -0.735 17.470 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.417 -0.262 16.549 1.00 0.00 H new ATOM 0 HH12 ARG A 471 11.864 0.181 18.200 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.633 -0.202 19.480 1.00 0.00 H new ATOM 0 HH22 ARG A 471 10.314 0.214 19.830 1.00 0.00 H new ATOM 1416 N LEU A 472 5.763 -1.691 10.970 1.00 0.00 N ATOM 1417 CA LEU A 472 5.562 -1.609 9.520 1.00 0.00 C ATOM 1418 C LEU A 472 6.831 -1.170 8.774 1.00 0.00 C ATOM 1419 O LEU A 472 7.725 -0.545 9.344 1.00 0.00 O ATOM 1420 CB LEU A 472 4.433 -0.600 9.212 1.00 0.00 C ATOM 1421 CG LEU A 472 3.034 -0.943 9.749 1.00 0.00 C ATOM 1422 CD1 LEU A 472 2.025 0.117 9.287 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.577 -2.325 9.273 1.00 0.00 C ATOM 0 H LEU A 472 5.298 -0.936 11.475 1.00 0.00 H new ATOM 0 HA LEU A 472 5.299 -2.609 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.724 0.370 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.364 -0.487 8.130 1.00 0.00 H new ATOM 0 HG LEU A 472 3.086 -0.956 10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 472 1.035 -0.131 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.326 1.094 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.996 0.142 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.584 -2.537 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.543 -2.342 8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.278 -3.082 9.626 1.00 0.00 H new ATOM 1435 N LYS A 473 6.859 -1.421 7.466 1.00 0.00 N ATOM 1436 CA LYS A 473 7.844 -0.878 6.519 1.00 0.00 C ATOM 1437 C LYS A 473 7.103 -0.293 5.302 1.00 0.00 C ATOM 1438 O LYS A 473 6.138 -0.895 4.834 1.00 0.00 O ATOM 1439 CB LYS A 473 8.840 -1.988 6.131 1.00 0.00 C ATOM 1440 CG LYS A 473 9.943 -1.495 5.174 1.00 0.00 C ATOM 1441 CD LYS A 473 10.899 -2.609 4.720 1.00 0.00 C ATOM 1442 CE LYS A 473 11.692 -3.202 5.894 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.725 -4.167 5.429 1.00 0.00 N ATOM 0 H LYS A 473 6.174 -2.029 7.016 1.00 0.00 H new ATOM 0 HA LYS A 473 8.419 -0.070 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.301 -2.387 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.297 -2.808 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.478 -1.045 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.518 -0.711 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.329 -3.399 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.592 -2.212 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 473 12.171 -2.398 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 473 11.008 -3.703 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 13.240 -4.546 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.266 -4.947 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 13.392 -3.683 4.795 1.00 0.00 H new ATOM 1457 N VAL A 474 7.529 0.859 4.782 1.00 0.00 N ATOM 1458 CA VAL A 474 6.915 1.525 3.622 1.00 0.00 C ATOM 1459 C VAL A 474 8.016 2.087 2.722 1.00 0.00 C ATOM 1460 O VAL A 474 8.951 2.712 3.221 1.00 0.00 O ATOM 1461 CB VAL A 474 5.952 2.662 4.044 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.222 3.229 2.820 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.909 2.180 5.064 1.00 0.00 C ATOM 0 H VAL A 474 8.327 1.369 5.160 1.00 0.00 H new ATOM 0 HA VAL A 474 6.326 0.783 3.083 1.00 0.00 H new ATOM 0 HB VAL A 474 6.561 3.437 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.549 4.027 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.951 3.626 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.646 2.437 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.254 3.008 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.317 1.376 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.416 1.813 5.957 1.00 0.00 H new ATOM 1473 N GLN A 475 7.906 1.876 1.408 1.00 0.00 N ATOM 1474 CA GLN A 475 8.882 2.343 0.417 1.00 0.00 C ATOM 1475 C GLN A 475 8.223 2.714 -0.916 1.00 0.00 C ATOM 1476 O GLN A 475 7.128 2.254 -1.239 1.00 0.00 O ATOM 1477 CB GLN A 475 9.959 1.263 0.182 1.00 0.00 C ATOM 1478 CG GLN A 475 11.040 1.184 1.274 1.00 0.00 C ATOM 1479 CD GLN A 475 11.828 2.485 1.476 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.896 3.356 0.616 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.450 2.674 2.621 1.00 0.00 N ATOM 0 H GLN A 475 7.124 1.368 0.995 1.00 0.00 H new ATOM 0 HA GLN A 475 9.344 3.245 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.469 0.292 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.443 1.454 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.568 0.908 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.738 0.386 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 475 12.406 1.961 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 475 12.976 3.533 2.780 1.00 0.00 H new ATOM 1490 N LEU A 476 8.931 3.529 -1.704 1.00 0.00 N ATOM 1491 CA LEU A 476 8.542 3.894 -3.073 1.00 0.00 C ATOM 1492 C LEU A 476 8.580 2.704 -4.041 1.00 0.00 C ATOM 1493 O LEU A 476 9.388 1.782 -3.901 1.00 0.00 O ATOM 1494 CB LEU A 476 9.488 4.986 -3.620 1.00 0.00 C ATOM 1495 CG LEU A 476 9.363 6.388 -3.000 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.376 7.310 -3.688 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.960 6.978 -3.188 1.00 0.00 C ATOM 0 H LEU A 476 9.805 3.962 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 476 7.515 4.255 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.514 4.645 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.321 5.073 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 476 9.553 6.306 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.304 8.311 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.383 6.922 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.162 7.353 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.918 7.968 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.738 7.056 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.226 6.329 -2.711 1.00 0.00 H new ATOM 1509 N LYS A 477 7.752 2.774 -5.085 1.00 0.00 N ATOM 1510 CA LYS A 477 7.808 1.869 -6.241 1.00 0.00 C ATOM 1511 C LYS A 477 9.187 1.959 -6.937 1.00 0.00 C ATOM 1512 O LYS A 477 9.737 3.054 -7.096 1.00 0.00 O ATOM 1513 CB LYS A 477 6.644 2.225 -7.189 1.00 0.00 C ATOM 1514 CG LYS A 477 6.615 1.344 -8.450 1.00 0.00 C ATOM 1515 CD LYS A 477 5.362 1.596 -9.298 1.00 0.00 C ATOM 1516 CE LYS A 477 5.397 0.679 -10.528 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.253 0.933 -11.437 1.00 0.00 N ATOM 0 H LYS A 477 7.011 3.471 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 477 7.695 0.832 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.700 2.119 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.727 3.271 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.504 1.540 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.651 0.294 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.465 1.403 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.321 2.640 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.331 0.831 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.381 -0.362 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.383 0.394 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.370 0.635 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.203 1.948 -11.657 1.00 0.00 H new