USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 573 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 Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= -6.04! C(o=-6!,f=-11!) USER MOD Single : A 406 TYR OH : rot 70:sc= 0.187 USER MOD Single : A 407 HIS :FLIP no HD1:sc= -1.47 F(o=-4!,f=-1.5) USER MOD Single : A 410 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.8) USER MOD Single : A 415 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 MET CE :methyl 162:sc= 0 (180deg=-0.886) USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 429 SER OG : rot -173:sc= 0.666 USER MOD Single : A 431 LYS NZ :NH3+ -152:sc= -0.181 (180deg=-0.755) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 448 SER OG : rot 123:sc= -1.84 USER MOD Single : A 449 TYR OH : rot -118:sc= 0.0353 USER MOD Single : A 451 ASN : amide:sc= -6.93! C(o=-6.9!,f=-9.2!) USER MOD Single : A 454 SER OG : rot -43:sc= 0.189 USER MOD Single : A 456 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.47) USER MOD Single : A 460 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl -170:sc= -0.0144 (180deg=-0.25) USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 470 LYS NZ :NH3+ 153:sc= 0.567 (180deg=-0.0243) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.027) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.489 4.907 3.807 1.00 0.00 N ATOM 226 CA LYS A 395 9.237 6.308 3.488 1.00 0.00 C ATOM 227 C LYS A 395 7.786 6.518 3.069 1.00 0.00 C ATOM 228 O LYS A 395 7.045 5.557 2.861 1.00 0.00 O ATOM 229 CB LYS A 395 10.175 6.775 2.373 1.00 0.00 C ATOM 230 CG LYS A 395 11.625 6.383 2.594 1.00 0.00 C ATOM 231 CD LYS A 395 12.351 6.165 1.277 1.00 0.00 C ATOM 232 CE LYS A 395 12.812 7.481 0.670 1.00 0.00 C ATOM 233 NZ LYS A 395 12.924 7.400 -0.813 1.00 0.00 N ATOM 0 HA LYS A 395 9.426 6.899 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.835 6.358 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.110 7.860 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 395 12.131 7.162 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 395 11.670 5.472 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 395 13.212 5.516 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 395 11.691 5.652 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 395 12.110 8.270 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 395 13.778 7.757 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 13.241 8.317 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 13.613 6.664 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 11.996 7.162 -1.219 1.00 0.00 H new ATOM 247 N GLU A 396 7.387 7.780 2.944 1.00 0.00 N ATOM 248 CA GLU A 396 6.023 8.114 2.548 1.00 0.00 C ATOM 249 C GLU A 396 6.012 9.297 1.584 1.00 0.00 C ATOM 250 O GLU A 396 7.024 9.973 1.401 1.00 0.00 O ATOM 251 CB GLU A 396 5.176 8.438 3.780 1.00 0.00 C ATOM 252 CG GLU A 396 5.524 9.768 4.426 1.00 0.00 C ATOM 253 CD GLU A 396 5.252 9.780 5.918 1.00 0.00 C ATOM 254 OE1 GLU A 396 4.075 9.949 6.304 1.00 0.00 O ATOM 255 OE2 GLU A 396 6.213 9.623 6.699 1.00 0.00 O ATOM 0 H GLU A 396 7.988 8.587 3.111 1.00 0.00 H new ATOM 0 HA GLU A 396 5.596 7.249 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 396 4.124 8.447 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 396 5.301 7.643 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 396 6.577 9.989 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 396 4.948 10.561 3.949 1.00 0.00 H new ATOM 262 N GLY A 397 4.858 9.541 0.971 1.00 0.00 N ATOM 263 CA GLY A 397 4.735 10.641 0.032 1.00 0.00 C ATOM 264 C GLY A 397 4.448 11.961 0.721 1.00 0.00 C ATOM 265 O GLY A 397 4.811 12.174 1.878 1.00 0.00 O ATOM 0 H GLY A 397 4.006 8.997 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.656 10.728 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 397 3.936 10.423 -0.676 1.00 0.00 H new ATOM 269 N PRO A 398 3.784 12.877 0.001 1.00 0.00 N ATOM 270 CA PRO A 398 3.435 14.198 0.529 1.00 0.00 C ATOM 271 C PRO A 398 2.288 14.138 1.533 1.00 0.00 C ATOM 272 O PRO A 398 1.502 13.191 1.534 1.00 0.00 O ATOM 273 CB PRO A 398 3.011 14.978 -0.719 1.00 0.00 C ATOM 274 CG PRO A 398 2.516 13.941 -1.665 1.00 0.00 C ATOM 275 CD PRO A 398 3.320 12.692 -1.385 1.00 0.00 C ATOM 0 HA PRO A 398 4.265 14.651 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 398 2.233 15.705 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.848 15.533 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.451 13.759 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.646 14.263 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.712 11.793 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.156 12.591 -2.077 1.00 0.00 H new ATOM 283 N GLU A 399 2.200 15.153 2.386 1.00 0.00 N ATOM 284 CA GLU A 399 1.150 15.213 3.396 1.00 0.00 C ATOM 285 C GLU A 399 -0.229 15.104 2.753 1.00 0.00 C ATOM 286 O GLU A 399 -0.677 16.018 2.060 1.00 0.00 O ATOM 287 CB GLU A 399 1.253 16.515 4.193 1.00 0.00 C ATOM 288 CG GLU A 399 0.402 16.527 5.452 1.00 0.00 C ATOM 289 CD GLU A 399 0.859 15.503 6.474 1.00 0.00 C ATOM 290 OE1 GLU A 399 2.013 15.605 6.940 1.00 0.00 O ATOM 291 OE2 GLU A 399 0.062 14.601 6.807 1.00 0.00 O ATOM 0 H GLU A 399 2.843 15.945 2.398 1.00 0.00 H new ATOM 0 HA GLU A 399 1.283 14.370 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 399 2.295 16.682 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.954 17.346 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 399 0.435 17.521 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.637 16.331 5.186 1.00 0.00 H new ATOM 298 N GLY A 400 -0.898 13.980 2.988 1.00 0.00 N ATOM 299 CA GLY A 400 -2.219 13.771 2.425 1.00 0.00 C ATOM 300 C GLY A 400 -2.330 12.458 1.676 1.00 0.00 C ATOM 301 O GLY A 400 -3.410 11.875 1.588 1.00 0.00 O ATOM 0 H GLY A 400 -0.549 13.210 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -2.959 13.793 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.456 14.592 1.749 1.00 0.00 H new ATOM 305 N ALA A 401 -1.209 11.992 1.133 1.00 0.00 N ATOM 306 CA ALA A 401 -1.184 10.740 0.388 1.00 0.00 C ATOM 307 C ALA A 401 -0.698 9.590 1.264 1.00 0.00 C ATOM 308 O ALA A 401 0.362 9.674 1.882 1.00 0.00 O ATOM 309 CB ALA A 401 -0.303 10.876 -0.844 1.00 0.00 C ATOM 0 H ALA A 401 -0.307 12.464 1.196 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.202 10.515 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.294 9.933 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.695 11.664 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.713 11.128 -0.539 1.00 0.00 H new ATOM 315 N ASN A 402 -1.482 8.517 1.313 1.00 0.00 N ATOM 316 CA ASN A 402 -1.131 7.351 2.114 1.00 0.00 C ATOM 317 C ASN A 402 -1.865 6.108 1.618 1.00 0.00 C ATOM 318 O ASN A 402 -2.838 6.207 0.869 1.00 0.00 O ATOM 319 CB ASN A 402 -1.464 7.599 3.587 1.00 0.00 C ATOM 320 CG ASN A 402 -1.386 9.067 3.957 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.396 9.770 3.969 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.182 9.537 4.263 1.00 0.00 N ATOM 0 H ASN A 402 -2.364 8.432 0.807 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.059 7.182 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.466 7.227 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.775 7.032 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.068 10.517 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.628 8.918 4.240 1.00 0.00 H new ATOM 329 N LEU A 403 -1.393 4.941 2.040 1.00 0.00 N ATOM 330 CA LEU A 403 -2.005 3.679 1.639 1.00 0.00 C ATOM 331 C LEU A 403 -1.630 2.560 2.607 1.00 0.00 C ATOM 332 O LEU A 403 -0.452 2.256 2.794 1.00 0.00 O ATOM 333 CB LEU A 403 -1.571 3.306 0.220 1.00 0.00 C ATOM 334 CG LEU A 403 -2.269 4.059 -0.913 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.841 3.506 -2.264 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.780 3.979 -0.757 1.00 0.00 C ATOM 0 H LEU A 403 -0.589 4.842 2.660 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.087 3.806 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.497 3.473 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.740 2.238 0.078 1.00 0.00 H new ATOM 0 HG LEU A 403 -1.974 5.107 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.348 4.054 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.763 3.617 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -2.106 2.450 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.259 4.521 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -4.094 2.935 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.072 4.424 0.195 1.00 0.00 H new ATOM 348 N PHE A 404 -2.640 1.951 3.219 1.00 0.00 N ATOM 349 CA PHE A 404 -2.417 0.865 4.166 1.00 0.00 C ATOM 350 C PHE A 404 -3.233 -0.367 3.785 1.00 0.00 C ATOM 351 O PHE A 404 -4.461 -0.362 3.876 1.00 0.00 O ATOM 352 CB PHE A 404 -2.780 1.313 5.583 1.00 0.00 C ATOM 353 CG PHE A 404 -1.714 2.140 6.243 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.542 3.473 5.902 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.883 1.586 7.203 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.561 4.235 6.506 1.00 0.00 C ATOM 357 CE2 PHE A 404 0.099 2.345 7.812 1.00 0.00 C ATOM 358 CZ PHE A 404 0.260 3.671 7.463 1.00 0.00 C ATOM 0 H PHE A 404 -3.621 2.191 3.076 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.360 0.602 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.705 1.889 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.976 0.432 6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.182 3.920 5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.004 0.549 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.436 5.272 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.739 1.901 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 404 1.026 4.266 7.937 1.00 0.00 H new ATOM 368 N ILE A 405 -2.542 -1.418 3.358 1.00 0.00 N ATOM 369 CA ILE A 405 -3.203 -2.656 2.963 1.00 0.00 C ATOM 370 C ILE A 405 -3.327 -3.613 4.143 1.00 0.00 C ATOM 371 O ILE A 405 -2.346 -3.905 4.826 1.00 0.00 O ATOM 372 CB ILE A 405 -2.443 -3.361 1.824 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.337 -2.440 0.607 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.136 -4.663 1.450 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.264 -1.381 0.741 1.00 0.00 C ATOM 0 H ILE A 405 -1.525 -1.437 3.277 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.198 -2.384 2.612 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.436 -3.595 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -2.132 -3.043 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.299 -1.953 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.587 -5.149 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.165 -5.322 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.153 -4.452 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.246 -0.765 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.478 -0.754 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.294 -1.860 0.872 1.00 0.00 H new ATOM 387 N TYR A 406 -4.542 -4.099 4.378 1.00 0.00 N ATOM 388 CA TYR A 406 -4.796 -5.023 5.476 1.00 0.00 C ATOM 389 C TYR A 406 -5.391 -6.330 4.962 1.00 0.00 C ATOM 390 O TYR A 406 -6.061 -6.357 3.930 1.00 0.00 O ATOM 391 CB TYR A 406 -5.740 -4.387 6.498 1.00 0.00 C ATOM 392 CG TYR A 406 -5.241 -3.070 7.047 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.236 -3.031 8.006 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.772 -1.864 6.607 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.776 -1.831 8.511 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.318 -0.659 7.105 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.320 -0.647 8.058 1.00 0.00 C ATOM 398 OH TYR A 406 -3.866 0.552 8.558 1.00 0.00 O ATOM 0 H TYR A 406 -5.365 -3.868 3.822 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.844 -5.243 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.713 -4.231 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -5.889 -5.082 7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.807 -3.956 8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.554 -1.869 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -2.995 -1.819 9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -5.742 0.269 6.751 1.00 0.00 H new ATOM 0 HH TYR A 406 -2.953 0.714 8.241 1.00 0.00 H new ATOM 408 N HIS A 407 -5.140 -7.414 5.691 1.00 0.00 N ATOM 409 CA HIS A 407 -5.651 -8.726 5.311 1.00 0.00 C ATOM 410 C HIS A 407 -4.896 -9.274 4.104 1.00 0.00 C ATOM 411 O HIS A 407 -5.502 -9.747 3.141 1.00 0.00 O ATOM 412 CB HIS A 407 -7.146 -8.643 4.997 1.00 0.00 C ATOM 413 CG HIS A 407 -7.905 -7.752 5.931 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.188 -6.430 5.860 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -8.473 -8.201 7.105 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -8.915 -6.108 6.980 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.073 -7.195 7.715 1.00 0.00 N flip ATOM 0 H HIS A 407 -4.586 -7.409 6.548 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.500 -9.405 6.151 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.275 -8.281 3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.573 -9.645 5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -8.433 -9.217 7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.296 -5.126 7.221 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -9.573 -7.248 8.602 1.00 0.00 H new ATOM 425 N LEU A 408 -3.571 -9.207 4.162 1.00 0.00 N ATOM 426 CA LEU A 408 -2.732 -9.697 3.073 1.00 0.00 C ATOM 427 C LEU A 408 -2.352 -11.158 3.293 1.00 0.00 C ATOM 428 O LEU A 408 -2.018 -11.578 4.399 1.00 0.00 O ATOM 429 CB LEU A 408 -1.468 -8.842 2.953 1.00 0.00 C ATOM 430 CG LEU A 408 -1.627 -7.509 2.220 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.390 -6.646 2.409 1.00 0.00 C ATOM 432 CD2 LEU A 408 -1.895 -7.743 0.740 1.00 0.00 C ATOM 0 H LEU A 408 -3.054 -8.818 4.951 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.302 -9.625 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.094 -8.640 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.705 -9.427 2.440 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.481 -6.982 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.521 -5.702 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.242 -6.450 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.481 -7.167 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -2.005 -6.784 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.061 -8.291 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.811 -8.322 0.623 1.00 0.00 H new ATOM 444 N PRO A 409 -2.403 -11.951 2.212 1.00 0.00 N ATOM 445 CA PRO A 409 -2.065 -13.377 2.260 1.00 0.00 C ATOM 446 C PRO A 409 -0.751 -13.637 2.988 1.00 0.00 C ATOM 447 O PRO A 409 -0.079 -12.703 3.425 1.00 0.00 O ATOM 448 CB PRO A 409 -1.944 -13.762 0.783 1.00 0.00 C ATOM 449 CG PRO A 409 -2.831 -12.803 0.067 1.00 0.00 C ATOM 450 CD PRO A 409 -2.793 -11.517 0.860 1.00 0.00 C ATOM 0 HA PRO A 409 -2.811 -13.955 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -0.914 -13.682 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.258 -14.792 0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.485 -12.641 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -3.848 -13.189 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.075 -10.811 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.763 -11.020 0.863 1.00 0.00 H new ATOM 458 N GLN A 410 -0.392 -14.910 3.115 1.00 0.00 N ATOM 459 CA GLN A 410 0.842 -15.292 3.791 1.00 0.00 C ATOM 460 C GLN A 410 2.023 -15.263 2.826 1.00 0.00 C ATOM 461 O GLN A 410 3.085 -14.732 3.148 1.00 0.00 O ATOM 462 CB GLN A 410 0.702 -16.687 4.404 1.00 0.00 C ATOM 463 CG GLN A 410 0.104 -16.681 5.800 1.00 0.00 C ATOM 464 CD GLN A 410 0.783 -15.689 6.723 1.00 0.00 C ATOM 465 OE1 GLN A 410 1.996 -15.486 6.650 1.00 0.00 O ATOM 466 NE2 GLN A 410 0.005 -15.065 7.600 1.00 0.00 N ATOM 0 H GLN A 410 -0.938 -15.694 2.759 1.00 0.00 H new ATOM 0 HA GLN A 410 1.029 -14.571 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 410 0.078 -17.300 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 410 1.684 -17.159 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -0.958 -16.443 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 410 0.181 -17.681 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -0.995 -15.263 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 410 0.408 -14.387 8.247 1.00 0.00 H new ATOM 475 N GLU A 411 1.828 -15.837 1.644 1.00 0.00 N ATOM 476 CA GLU A 411 2.879 -15.878 0.632 1.00 0.00 C ATOM 477 C GLU A 411 3.335 -14.469 0.266 1.00 0.00 C ATOM 478 O GLU A 411 4.526 -14.219 0.079 1.00 0.00 O ATOM 479 CB GLU A 411 2.385 -16.607 -0.619 1.00 0.00 C ATOM 480 CG GLU A 411 1.212 -15.922 -1.299 1.00 0.00 C ATOM 481 CD GLU A 411 0.848 -16.567 -2.623 1.00 0.00 C ATOM 482 OE1 GLU A 411 1.624 -16.418 -3.590 1.00 0.00 O ATOM 483 OE2 GLU A 411 -0.214 -17.220 -2.691 1.00 0.00 O ATOM 0 H GLU A 411 0.953 -16.280 1.363 1.00 0.00 H new ATOM 0 HA GLU A 411 3.728 -16.420 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 411 3.208 -16.691 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 411 2.094 -17.622 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 411 0.347 -15.948 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 411 1.455 -14.873 -1.465 1.00 0.00 H new ATOM 490 N PHE A 412 2.379 -13.550 0.165 1.00 0.00 N ATOM 491 CA PHE A 412 2.683 -12.166 -0.181 1.00 0.00 C ATOM 492 C PHE A 412 3.799 -11.617 0.703 1.00 0.00 C ATOM 493 O PHE A 412 3.917 -11.982 1.872 1.00 0.00 O ATOM 494 CB PHE A 412 1.431 -11.298 -0.040 1.00 0.00 C ATOM 495 CG PHE A 412 0.618 -11.208 -1.300 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.053 -12.318 -1.786 1.00 0.00 C ATOM 497 CD2 PHE A 412 0.526 -10.014 -1.997 1.00 0.00 C ATOM 498 CE1 PHE A 412 -0.802 -12.239 -2.946 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.222 -9.929 -3.155 1.00 0.00 C ATOM 500 CZ PHE A 412 -0.885 -11.044 -3.632 1.00 0.00 C ATOM 0 H PHE A 412 1.388 -13.739 0.318 1.00 0.00 H new ATOM 0 HA PHE A 412 3.020 -12.141 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.807 -11.702 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.727 -10.294 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 412 0.009 -13.255 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 412 1.045 -9.140 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.321 -13.111 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.289 -8.992 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.467 -10.980 -4.540 1.00 0.00 H new ATOM 510 N GLY A 413 4.618 -10.738 0.133 1.00 0.00 N ATOM 511 CA GLY A 413 5.715 -10.153 0.883 1.00 0.00 C ATOM 512 C GLY A 413 5.792 -8.648 0.717 1.00 0.00 C ATOM 513 O GLY A 413 4.769 -7.965 0.712 1.00 0.00 O ATOM 0 H GLY A 413 4.542 -10.421 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.598 -10.394 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.654 -10.600 0.556 1.00 0.00 H new ATOM 517 N ASP A 414 7.008 -8.131 0.583 1.00 0.00 N ATOM 518 CA ASP A 414 7.215 -6.697 0.419 1.00 0.00 C ATOM 519 C ASP A 414 7.104 -6.298 -1.050 1.00 0.00 C ATOM 520 O ASP A 414 6.365 -5.377 -1.397 1.00 0.00 O ATOM 521 CB ASP A 414 8.583 -6.291 0.968 1.00 0.00 C ATOM 522 CG ASP A 414 8.847 -6.865 2.346 1.00 0.00 C ATOM 523 OD1 ASP A 414 9.091 -8.085 2.443 1.00 0.00 O ATOM 524 OD2 ASP A 414 8.810 -6.093 3.328 1.00 0.00 O ATOM 0 H ASP A 414 7.865 -8.683 0.585 1.00 0.00 H new ATOM 0 HA ASP A 414 6.439 -6.176 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 414 9.361 -6.627 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.645 -5.204 1.012 1.00 0.00 H new ATOM 529 N GLN A 415 7.843 -6.996 -1.906 1.00 0.00 N ATOM 530 CA GLN A 415 7.828 -6.713 -3.335 1.00 0.00 C ATOM 531 C GLN A 415 6.435 -6.925 -3.918 1.00 0.00 C ATOM 532 O GLN A 415 5.887 -6.045 -4.583 1.00 0.00 O ATOM 533 CB GLN A 415 8.838 -7.599 -4.064 1.00 0.00 C ATOM 534 CG GLN A 415 10.224 -6.982 -4.171 1.00 0.00 C ATOM 535 CD GLN A 415 10.398 -6.154 -5.429 1.00 0.00 C ATOM 536 OE1 GLN A 415 10.468 -6.691 -6.534 1.00 0.00 O ATOM 537 NE2 GLN A 415 10.468 -4.838 -5.267 1.00 0.00 N ATOM 0 H GLN A 415 8.460 -7.762 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 415 8.106 -5.668 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.914 -8.554 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.466 -7.811 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.406 -6.354 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.973 -7.774 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 415 10.405 -4.435 -4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 415 10.584 -4.230 -6.078 1.00 0.00 H new ATOM 546 N ASP A 416 5.866 -8.099 -3.666 1.00 0.00 N ATOM 547 CA ASP A 416 4.535 -8.428 -4.164 1.00 0.00 C ATOM 548 C ASP A 416 3.605 -7.223 -4.066 1.00 0.00 C ATOM 549 O ASP A 416 3.074 -6.751 -5.072 1.00 0.00 O ATOM 550 CB ASP A 416 3.951 -9.605 -3.382 1.00 0.00 C ATOM 551 CG ASP A 416 4.740 -10.884 -3.586 1.00 0.00 C ATOM 552 OD1 ASP A 416 4.937 -11.280 -4.753 1.00 0.00 O ATOM 553 OD2 ASP A 416 5.159 -11.490 -2.576 1.00 0.00 O ATOM 0 H ASP A 416 6.306 -8.839 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 416 4.626 -8.709 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.932 -9.359 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.918 -9.766 -3.690 1.00 0.00 H new ATOM 558 N LEU A 417 3.411 -6.731 -2.847 1.00 0.00 N ATOM 559 CA LEU A 417 2.544 -5.581 -2.616 1.00 0.00 C ATOM 560 C LEU A 417 2.888 -4.438 -3.567 1.00 0.00 C ATOM 561 O LEU A 417 2.003 -3.819 -4.158 1.00 0.00 O ATOM 562 CB LEU A 417 2.667 -5.107 -1.167 1.00 0.00 C ATOM 563 CG LEU A 417 1.756 -3.947 -0.760 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.295 -4.352 -0.869 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.080 -3.486 0.653 1.00 0.00 C ATOM 0 H LEU A 417 3.842 -7.110 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 417 1.516 -5.890 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.461 -5.952 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 417 3.701 -4.810 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 417 1.932 -3.115 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.338 -3.514 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.071 -4.633 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.102 -5.200 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.423 -2.661 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 417 1.933 -4.313 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.117 -3.154 0.699 1.00 0.00 H new ATOM 577 N LEU A 418 4.180 -4.165 -3.712 1.00 0.00 N ATOM 578 CA LEU A 418 4.644 -3.098 -4.593 1.00 0.00 C ATOM 579 C LEU A 418 4.269 -3.389 -6.042 1.00 0.00 C ATOM 580 O LEU A 418 3.801 -2.506 -6.761 1.00 0.00 O ATOM 581 CB LEU A 418 6.159 -2.931 -4.470 1.00 0.00 C ATOM 582 CG LEU A 418 6.813 -1.988 -5.480 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.508 -0.538 -5.134 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.317 -2.220 -5.531 1.00 0.00 C ATOM 0 H LEU A 418 4.926 -4.668 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 418 4.157 -2.171 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.385 -2.570 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.622 -3.913 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 418 6.398 -2.200 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 418 6.982 0.118 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.430 -0.379 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 418 6.893 -0.312 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 418 8.766 -1.540 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 418 8.747 -2.037 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.516 -3.250 -5.828 1.00 0.00 H new ATOM 596 N GLN A 419 4.475 -4.633 -6.464 1.00 0.00 N ATOM 597 CA GLN A 419 4.157 -5.039 -7.828 1.00 0.00 C ATOM 598 C GLN A 419 2.647 -5.127 -8.031 1.00 0.00 C ATOM 599 O GLN A 419 2.171 -5.281 -9.156 1.00 0.00 O ATOM 600 CB GLN A 419 4.805 -6.387 -8.145 1.00 0.00 C ATOM 601 CG GLN A 419 6.280 -6.285 -8.500 1.00 0.00 C ATOM 602 CD GLN A 419 6.732 -7.384 -9.441 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.848 -8.545 -9.047 1.00 0.00 O ATOM 604 NE2 GLN A 419 6.989 -7.023 -10.693 1.00 0.00 N ATOM 0 H GLN A 419 4.860 -5.376 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 419 4.554 -4.284 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.692 -7.046 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.271 -6.851 -8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.473 -5.316 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.873 -6.327 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 419 6.879 -6.049 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 419 7.296 -7.720 -11.372 1.00 0.00 H new ATOM 613 N MET A 420 1.901 -5.030 -6.936 1.00 0.00 N ATOM 614 CA MET A 420 0.445 -5.099 -6.995 1.00 0.00 C ATOM 615 C MET A 420 -0.161 -3.702 -7.087 1.00 0.00 C ATOM 616 O MET A 420 -1.248 -3.521 -7.636 1.00 0.00 O ATOM 617 CB MET A 420 -0.103 -5.825 -5.766 1.00 0.00 C ATOM 618 CG MET A 420 -1.620 -5.803 -5.674 1.00 0.00 C ATOM 619 SD MET A 420 -2.218 -6.109 -4.000 1.00 0.00 S ATOM 620 CE MET A 420 -2.817 -7.790 -4.156 1.00 0.00 C ATOM 0 H MET A 420 2.280 -4.903 -5.997 1.00 0.00 H new ATOM 0 HA MET A 420 0.168 -5.656 -7.890 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.237 -6.861 -5.784 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.314 -5.368 -4.868 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.987 -4.835 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.032 -6.556 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 420 -2.919 -8.233 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 420 -3.787 -7.786 -4.654 1.00 0.00 H new ATOM 0 HE3 MET A 420 -2.110 -8.375 -4.744 1.00 0.00 H new ATOM 630 N PHE A 421 0.549 -2.716 -6.547 1.00 0.00 N ATOM 631 CA PHE A 421 0.079 -1.336 -6.568 1.00 0.00 C ATOM 632 C PHE A 421 0.782 -0.539 -7.663 1.00 0.00 C ATOM 633 O PHE A 421 0.292 0.503 -8.098 1.00 0.00 O ATOM 634 CB PHE A 421 0.317 -0.675 -5.209 1.00 0.00 C ATOM 635 CG PHE A 421 -0.719 -1.029 -4.180 1.00 0.00 C ATOM 636 CD1 PHE A 421 -1.024 -2.353 -3.913 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.389 -0.036 -3.482 1.00 0.00 C ATOM 638 CE1 PHE A 421 -1.977 -2.682 -2.967 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.342 -0.359 -2.535 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.637 -1.683 -2.278 1.00 0.00 C ATOM 0 H PHE A 421 1.451 -2.847 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 421 -0.990 -1.345 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.300 -0.967 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.334 0.407 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.512 -3.138 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.164 1.001 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -2.205 -3.719 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -2.856 0.424 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.383 -1.937 -1.539 1.00 0.00 H new ATOM 650 N MET A 422 1.932 -1.037 -8.104 1.00 0.00 N ATOM 651 CA MET A 422 2.701 -0.372 -9.150 1.00 0.00 C ATOM 652 C MET A 422 1.815 -0.029 -10.342 1.00 0.00 C ATOM 653 O MET A 422 1.854 1.078 -10.877 1.00 0.00 O ATOM 654 CB MET A 422 3.862 -1.261 -9.601 1.00 0.00 C ATOM 655 CG MET A 422 5.162 -0.981 -8.865 1.00 0.00 C ATOM 656 SD MET A 422 6.418 -2.238 -9.171 1.00 0.00 S ATOM 657 CE MET A 422 7.743 -1.238 -9.842 1.00 0.00 C ATOM 0 H MET A 422 2.352 -1.898 -7.754 1.00 0.00 H new ATOM 0 HA MET A 422 3.100 0.555 -8.739 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.588 -2.306 -9.453 1.00 0.00 H new ATOM 0 HB3 MET A 422 4.022 -1.122 -10.670 1.00 0.00 H new ATOM 0 HG2 MET A 422 5.546 -0.008 -9.171 1.00 0.00 H new ATOM 0 HG3 MET A 422 4.964 -0.924 -7.795 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.594 -1.875 -10.082 1.00 0.00 H new ATOM 0 HE2 MET A 422 7.399 -0.737 -10.747 1.00 0.00 H new ATOM 0 HE3 MET A 422 8.044 -0.492 -9.107 1.00 0.00 H new ATOM 667 N PRO A 423 0.996 -1.002 -10.772 1.00 0.00 N ATOM 668 CA PRO A 423 0.084 -0.826 -11.906 1.00 0.00 C ATOM 669 C PRO A 423 -0.715 0.469 -11.812 1.00 0.00 C ATOM 670 O PRO A 423 -0.839 1.207 -12.790 1.00 0.00 O ATOM 671 CB PRO A 423 -0.847 -2.037 -11.804 1.00 0.00 C ATOM 672 CG PRO A 423 -0.044 -3.072 -11.094 1.00 0.00 C ATOM 673 CD PRO A 423 0.897 -2.347 -10.182 1.00 0.00 C ATOM 0 HA PRO A 423 0.620 -0.761 -12.853 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.755 -1.793 -11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.156 -2.383 -12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.692 -3.741 -10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.506 -3.688 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.515 -2.309 -9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.870 -2.837 -10.140 1.00 0.00 H new ATOM 681 N PHE A 424 -1.255 0.742 -10.629 1.00 0.00 N ATOM 682 CA PHE A 424 -2.042 1.949 -10.408 1.00 0.00 C ATOM 683 C PHE A 424 -1.184 3.198 -10.580 1.00 0.00 C ATOM 684 O PHE A 424 -1.676 4.252 -10.981 1.00 0.00 O ATOM 685 CB PHE A 424 -2.661 1.931 -9.008 1.00 0.00 C ATOM 686 CG PHE A 424 -3.710 0.871 -8.830 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.354 -0.433 -8.525 1.00 0.00 C ATOM 688 CD2 PHE A 424 -5.055 1.179 -8.968 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.317 -1.409 -8.361 1.00 0.00 C ATOM 690 CE2 PHE A 424 -6.023 0.206 -8.804 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.654 -1.090 -8.500 1.00 0.00 C ATOM 0 H PHE A 424 -1.162 0.143 -9.808 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.839 1.973 -11.151 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.872 1.777 -8.272 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -3.103 2.906 -8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.311 -0.689 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.349 2.190 -9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -4.025 -2.421 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -7.067 0.459 -8.913 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.409 -1.852 -8.371 1.00 0.00 H new ATOM 701 N GLY A 425 0.104 3.071 -10.275 1.00 0.00 N ATOM 702 CA GLY A 425 1.012 4.196 -10.402 1.00 0.00 C ATOM 703 C GLY A 425 2.357 3.932 -9.756 1.00 0.00 C ATOM 704 O GLY A 425 2.528 2.941 -9.047 1.00 0.00 O ATOM 0 H GLY A 425 0.535 2.209 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.158 4.423 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.560 5.077 -9.946 1.00 0.00 H new ATOM 708 N ASN A 426 3.314 4.821 -10.000 1.00 0.00 N ATOM 709 CA ASN A 426 4.652 4.678 -9.438 1.00 0.00 C ATOM 710 C ASN A 426 4.622 4.824 -7.920 1.00 0.00 C ATOM 711 O ASN A 426 4.691 5.934 -7.391 1.00 0.00 O ATOM 712 CB ASN A 426 5.596 5.719 -10.044 1.00 0.00 C ATOM 713 CG ASN A 426 6.006 5.370 -11.462 1.00 0.00 C ATOM 714 OD1 ASN A 426 7.103 4.863 -11.696 1.00 0.00 O ATOM 715 ND2 ASN A 426 5.124 5.643 -12.417 1.00 0.00 N ATOM 0 H ASN A 426 3.188 5.648 -10.583 1.00 0.00 H new ATOM 0 HA ASN A 426 5.018 3.681 -9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 426 5.109 6.694 -10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.487 5.804 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 426 5.344 5.432 -13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 426 4.226 6.064 -12.177 1.00 0.00 H new ATOM 722 N VAL A 427 4.522 3.697 -7.224 1.00 0.00 N ATOM 723 CA VAL A 427 4.485 3.698 -5.767 1.00 0.00 C ATOM 724 C VAL A 427 5.774 4.266 -5.185 1.00 0.00 C ATOM 725 O VAL A 427 6.872 3.910 -5.613 1.00 0.00 O ATOM 726 CB VAL A 427 4.266 2.279 -5.209 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.340 2.284 -3.690 1.00 0.00 C ATOM 728 CG2 VAL A 427 2.934 1.720 -5.684 1.00 0.00 C ATOM 0 H VAL A 427 4.465 2.770 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 427 3.647 4.330 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 427 5.060 1.634 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.183 1.273 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.321 2.640 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.569 2.943 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 427 2.796 0.717 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.125 2.365 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 427 2.925 1.677 -6.773 1.00 0.00 H new ATOM 738 N VAL A 428 5.634 5.155 -4.206 1.00 0.00 N ATOM 739 CA VAL A 428 6.787 5.773 -3.563 1.00 0.00 C ATOM 740 C VAL A 428 7.403 4.842 -2.526 1.00 0.00 C ATOM 741 O VAL A 428 8.618 4.639 -2.502 1.00 0.00 O ATOM 742 CB VAL A 428 6.405 7.101 -2.883 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.584 7.657 -2.097 1.00 0.00 C ATOM 744 CG2 VAL A 428 5.920 8.108 -3.915 1.00 0.00 C ATOM 0 H VAL A 428 4.733 5.463 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 428 7.518 5.972 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 428 5.590 6.910 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.296 8.595 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.881 6.940 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.421 7.834 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.654 9.040 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.712 8.297 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.045 7.709 -4.429 1.00 0.00 H new ATOM 754 N SER A 429 6.559 4.277 -1.670 1.00 0.00 N ATOM 755 CA SER A 429 7.020 3.368 -0.627 1.00 0.00 C ATOM 756 C SER A 429 6.107 2.151 -0.524 1.00 0.00 C ATOM 757 O SER A 429 4.906 2.240 -0.774 1.00 0.00 O ATOM 758 CB SER A 429 7.079 4.092 0.720 1.00 0.00 C ATOM 759 OG SER A 429 7.492 3.215 1.753 1.00 0.00 O ATOM 0 H SER A 429 5.551 4.433 -1.678 1.00 0.00 H new ATOM 0 HA SER A 429 8.021 3.027 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 429 7.770 4.933 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 429 6.098 4.503 0.958 1.00 0.00 H new ATOM 0 HG SER A 429 7.416 3.669 2.618 1.00 0.00 H new ATOM 765 N ALA A 430 6.687 1.013 -0.153 1.00 0.00 N ATOM 766 CA ALA A 430 5.927 -0.221 -0.015 1.00 0.00 C ATOM 767 C ALA A 430 6.679 -1.237 0.839 1.00 0.00 C ATOM 768 O ALA A 430 7.740 -1.727 0.450 1.00 0.00 O ATOM 769 CB ALA A 430 5.617 -0.808 -1.384 1.00 0.00 C ATOM 0 H ALA A 430 7.681 0.922 0.057 1.00 0.00 H new ATOM 0 HA ALA A 430 4.989 0.015 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.048 -1.730 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 430 5.031 -0.093 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.549 -1.022 -1.908 1.00 0.00 H new ATOM 775 N LYS A 431 6.125 -1.549 2.006 1.00 0.00 N ATOM 776 CA LYS A 431 6.742 -2.506 2.916 1.00 0.00 C ATOM 777 C LYS A 431 5.698 -3.143 3.826 1.00 0.00 C ATOM 778 O LYS A 431 4.757 -2.483 4.266 1.00 0.00 O ATOM 779 CB LYS A 431 7.818 -1.818 3.760 1.00 0.00 C ATOM 780 CG LYS A 431 8.272 -2.640 4.953 1.00 0.00 C ATOM 781 CD LYS A 431 7.399 -2.384 6.171 1.00 0.00 C ATOM 782 CE LYS A 431 7.913 -1.210 6.989 1.00 0.00 C ATOM 783 NZ LYS A 431 9.283 -1.458 7.516 1.00 0.00 N ATOM 0 H LYS A 431 5.248 -1.152 2.344 1.00 0.00 H new ATOM 0 HA LYS A 431 7.204 -3.291 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.680 -1.602 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.434 -0.861 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 431 8.242 -3.699 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 431 9.308 -2.398 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 431 6.376 -2.186 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 431 7.371 -3.278 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.919 -0.312 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.233 -1.021 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.418 -0.924 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.404 -2.474 7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.986 -1.150 6.814 1.00 0.00 H new ATOM 797 N VAL A 432 5.870 -4.432 4.106 1.00 0.00 N ATOM 798 CA VAL A 432 4.943 -5.158 4.966 1.00 0.00 C ATOM 799 C VAL A 432 5.418 -5.152 6.414 1.00 0.00 C ATOM 800 O VAL A 432 6.605 -5.328 6.690 1.00 0.00 O ATOM 801 CB VAL A 432 4.770 -6.615 4.500 1.00 0.00 C ATOM 802 CG1 VAL A 432 3.853 -7.374 5.447 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.234 -6.660 3.076 1.00 0.00 C ATOM 0 H VAL A 432 6.643 -4.994 3.750 1.00 0.00 H new ATOM 0 HA VAL A 432 3.983 -4.647 4.900 1.00 0.00 H new ATOM 0 HB VAL A 432 5.746 -7.099 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.743 -8.402 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.283 -7.372 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 432 2.875 -6.892 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.118 -7.698 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.267 -6.159 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.933 -6.156 2.408 1.00 0.00 H new ATOM 813 N PHE A 433 4.484 -4.949 7.337 1.00 0.00 N ATOM 814 CA PHE A 433 4.808 -4.920 8.759 1.00 0.00 C ATOM 815 C PHE A 433 4.963 -6.333 9.310 1.00 0.00 C ATOM 816 O PHE A 433 4.386 -7.284 8.781 1.00 0.00 O ATOM 817 CB PHE A 433 3.720 -4.174 9.535 1.00 0.00 C ATOM 818 CG PHE A 433 3.846 -2.679 9.457 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.292 -2.068 8.297 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.518 -1.886 10.545 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.409 -0.693 8.221 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.632 -0.510 10.475 1.00 0.00 C ATOM 823 CZ PHE A 433 4.079 0.087 9.313 1.00 0.00 C ATOM 0 H PHE A 433 3.497 -4.802 7.126 1.00 0.00 H new ATOM 0 HA PHE A 433 5.756 -4.396 8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.744 -4.469 9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.756 -4.480 10.581 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.552 -2.673 7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.170 -2.348 11.457 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.758 -0.229 7.310 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.372 0.098 11.329 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.171 1.162 9.258 1.00 0.00 H new ATOM 983 N CYS A 443 -0.258 -9.478 8.332 1.00 0.00 N ATOM 984 CA CYS A 443 -1.177 -9.514 7.199 1.00 0.00 C ATOM 985 C CYS A 443 -1.583 -8.104 6.784 1.00 0.00 C ATOM 986 O CYS A 443 -2.734 -7.861 6.418 1.00 0.00 O ATOM 987 CB CYS A 443 -2.419 -10.335 7.550 1.00 0.00 C ATOM 988 SG CYS A 443 -2.069 -12.053 7.990 1.00 0.00 S ATOM 0 HA CYS A 443 -0.664 -9.986 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -2.935 -9.856 8.382 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -3.102 -10.321 6.701 1.00 0.00 H new ATOM 0 HG CYS A 443 -3.181 -12.664 8.272 1.00 0.00 H new ATOM 994 N PHE A 444 -0.633 -7.178 6.845 1.00 0.00 N ATOM 995 CA PHE A 444 -0.894 -5.790 6.479 1.00 0.00 C ATOM 996 C PHE A 444 0.411 -5.044 6.210 1.00 0.00 C ATOM 997 O PHE A 444 1.395 -5.215 6.928 1.00 0.00 O ATOM 998 CB PHE A 444 -1.678 -5.085 7.587 1.00 0.00 C ATOM 999 CG PHE A 444 -0.822 -4.645 8.740 1.00 0.00 C ATOM 1000 CD1 PHE A 444 -0.019 -3.521 8.633 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.821 -5.354 9.930 1.00 0.00 C ATOM 1002 CE1 PHE A 444 0.771 -3.113 9.692 1.00 0.00 C ATOM 1003 CE2 PHE A 444 -0.033 -4.951 10.993 1.00 0.00 C ATOM 1004 CZ PHE A 444 0.762 -3.829 10.874 1.00 0.00 C ATOM 0 H PHE A 444 0.325 -7.363 7.144 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.489 -5.788 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.183 -4.215 7.167 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.454 -5.756 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -0.010 -2.957 7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.443 -6.232 10.029 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.394 -2.236 9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -0.040 -5.514 11.915 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.376 -3.511 11.703 1.00 0.00 H new ATOM 1014 N GLY A 445 0.409 -4.217 5.169 1.00 0.00 N ATOM 1015 CA GLY A 445 1.596 -3.458 4.823 1.00 0.00 C ATOM 1016 C GLY A 445 1.295 -1.994 4.568 1.00 0.00 C ATOM 1017 O GLY A 445 0.133 -1.600 4.469 1.00 0.00 O ATOM 0 H GLY A 445 -0.393 -4.059 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.324 -3.541 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 445 2.054 -3.892 3.934 1.00 0.00 H new ATOM 1021 N PHE A 446 2.345 -1.186 4.462 1.00 0.00 N ATOM 1022 CA PHE A 446 2.187 0.244 4.220 1.00 0.00 C ATOM 1023 C PHE A 446 2.563 0.596 2.784 1.00 0.00 C ATOM 1024 O PHE A 446 3.350 -0.103 2.147 1.00 0.00 O ATOM 1025 CB PHE A 446 3.050 1.046 5.196 1.00 0.00 C ATOM 1026 CG PHE A 446 3.081 2.517 4.898 1.00 0.00 C ATOM 1027 CD1 PHE A 446 1.946 3.295 5.061 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.246 3.124 4.456 1.00 0.00 C ATOM 1029 CE1 PHE A 446 1.972 4.649 4.787 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.278 4.477 4.181 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.140 5.242 4.347 1.00 0.00 C ATOM 0 H PHE A 446 3.313 -1.496 4.540 1.00 0.00 H new ATOM 0 HA PHE A 446 1.139 0.501 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.675 0.896 6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.068 0.657 5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 446 1.030 2.838 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.140 2.532 4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 446 1.080 5.244 4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.192 4.937 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.163 6.300 4.134 1.00 0.00 H new ATOM 1041 N VAL A 447 1.991 1.685 2.280 1.00 0.00 N ATOM 1042 CA VAL A 447 2.265 2.132 0.919 1.00 0.00 C ATOM 1043 C VAL A 447 1.952 3.615 0.755 1.00 0.00 C ATOM 1044 O VAL A 447 1.108 4.165 1.462 1.00 0.00 O ATOM 1045 CB VAL A 447 1.448 1.330 -0.110 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.745 1.813 -1.521 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.738 -0.158 0.024 1.00 0.00 C ATOM 0 H VAL A 447 1.335 2.274 2.793 1.00 0.00 H new ATOM 0 HA VAL A 447 3.327 1.965 0.738 1.00 0.00 H new ATOM 0 HB VAL A 447 0.388 1.491 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.158 1.234 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.484 2.868 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.806 1.684 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.152 -0.710 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 447 2.799 -0.339 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.471 -0.492 1.027 1.00 0.00 H new ATOM 1057 N SER A 448 2.639 4.258 -0.183 1.00 0.00 N ATOM 1058 CA SER A 448 2.438 5.680 -0.439 1.00 0.00 C ATOM 1059 C SER A 448 2.722 6.015 -1.901 1.00 0.00 C ATOM 1060 O SER A 448 3.506 5.336 -2.564 1.00 0.00 O ATOM 1061 CB SER A 448 3.338 6.517 0.471 1.00 0.00 C ATOM 1062 OG SER A 448 4.699 6.155 0.314 1.00 0.00 O ATOM 0 H SER A 448 3.340 3.817 -0.779 1.00 0.00 H new ATOM 0 HA SER A 448 1.396 5.918 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 448 3.211 7.575 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.039 6.379 1.510 1.00 0.00 H new ATOM 0 HG SER A 448 5.220 6.944 0.057 1.00 0.00 H new ATOM 1068 N TYR A 449 2.077 7.065 -2.396 1.00 0.00 N ATOM 1069 CA TYR A 449 2.257 7.490 -3.779 1.00 0.00 C ATOM 1070 C TYR A 449 2.865 8.888 -3.845 1.00 0.00 C ATOM 1071 O TYR A 449 3.129 9.512 -2.818 1.00 0.00 O ATOM 1072 CB TYR A 449 0.920 7.467 -4.520 1.00 0.00 C ATOM 1073 CG TYR A 449 0.508 6.088 -4.984 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.485 5.015 -4.102 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.144 5.858 -6.305 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.110 3.753 -4.522 1.00 0.00 C ATOM 1077 CE2 TYR A 449 -0.233 4.599 -6.733 1.00 0.00 C ATOM 1078 CZ TYR A 449 -0.248 3.551 -5.837 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.622 2.295 -6.260 1.00 0.00 O ATOM 0 H TYR A 449 1.425 7.638 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 449 2.943 6.793 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.145 7.868 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 449 0.982 8.128 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.765 5.170 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.156 6.677 -7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.098 2.930 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.514 4.437 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 449 -0.001 1.984 -6.951 1.00 0.00 H new ATOM 1089 N ASP A 450 3.082 9.374 -5.062 1.00 0.00 N ATOM 1090 CA ASP A 450 3.656 10.700 -5.265 1.00 0.00 C ATOM 1091 C ASP A 450 2.648 11.789 -4.909 1.00 0.00 C ATOM 1092 O ASP A 450 3.024 12.887 -4.503 1.00 0.00 O ATOM 1093 CB ASP A 450 4.113 10.864 -6.715 1.00 0.00 C ATOM 1094 CG ASP A 450 4.111 12.314 -7.161 1.00 0.00 C ATOM 1095 OD1 ASP A 450 4.682 13.158 -6.439 1.00 0.00 O ATOM 1096 OD2 ASP A 450 3.540 12.603 -8.234 1.00 0.00 O ATOM 0 H ASP A 450 2.869 8.870 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 450 4.519 10.800 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 450 5.117 10.454 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 450 3.459 10.285 -7.367 1.00 0.00 H new ATOM 1101 N ASN A 451 1.366 11.475 -5.068 1.00 0.00 N ATOM 1102 CA ASN A 451 0.304 12.428 -4.764 1.00 0.00 C ATOM 1103 C ASN A 451 -0.933 11.712 -4.233 1.00 0.00 C ATOM 1104 O ASN A 451 -1.158 10.529 -4.495 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.057 13.236 -6.014 1.00 0.00 C ATOM 1106 CG ASN A 451 1.124 13.412 -6.949 1.00 0.00 C ATOM 1107 OD1 ASN A 451 2.192 13.866 -6.539 1.00 0.00 O ATOM 1108 ND2 ASN A 451 0.935 13.052 -8.213 1.00 0.00 N ATOM 0 H ASN A 451 1.038 10.570 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 451 0.668 13.107 -3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -0.866 12.736 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 451 -0.430 14.216 -5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 451 1.693 13.147 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 451 0.032 12.680 -8.508 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.758 12.443 -3.470 1.00 0.00 N ATOM 1116 CA PRO A 452 -2.988 11.899 -2.887 1.00 0.00 C ATOM 1117 C PRO A 452 -4.074 11.668 -3.932 1.00 0.00 C ATOM 1118 O PRO A 452 -5.078 11.008 -3.665 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.422 12.983 -1.896 1.00 0.00 C ATOM 1120 CG PRO A 452 -2.853 14.246 -2.446 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.554 13.858 -3.117 1.00 0.00 C ATOM 0 HA PRO A 452 -2.823 10.924 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.508 13.038 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.042 12.780 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.538 14.706 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.681 14.974 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.360 14.468 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.703 13.986 -2.448 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.865 12.216 -5.126 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.824 12.068 -6.213 1.00 0.00 C ATOM 1131 C VAL A 453 -4.683 10.710 -6.891 1.00 0.00 C ATOM 1132 O VAL A 453 -5.665 10.132 -7.358 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.652 13.177 -7.268 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.632 12.980 -8.415 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.830 14.548 -6.634 1.00 0.00 C ATOM 0 H VAL A 453 -3.040 12.766 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.817 12.148 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.641 13.117 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.496 13.773 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.452 12.014 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.652 13.012 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.705 15.319 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.828 14.622 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -4.085 14.686 -5.851 1.00 0.00 H new ATOM 1145 N SER A 454 -3.454 10.205 -6.941 1.00 0.00 N ATOM 1146 CA SER A 454 -3.183 8.915 -7.564 1.00 0.00 C ATOM 1147 C SER A 454 -3.441 7.774 -6.586 1.00 0.00 C ATOM 1148 O SER A 454 -3.990 6.736 -6.956 1.00 0.00 O ATOM 1149 CB SER A 454 -1.737 8.859 -8.060 1.00 0.00 C ATOM 1150 OG SER A 454 -0.827 8.801 -6.975 1.00 0.00 O ATOM 0 H SER A 454 -2.631 10.670 -6.558 1.00 0.00 H new ATOM 0 HA SER A 454 -3.856 8.801 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.602 7.986 -8.699 1.00 0.00 H new ATOM 0 HB3 SER A 454 -1.524 9.737 -8.670 1.00 0.00 H new ATOM 0 HG SER A 454 -1.107 9.432 -6.279 1.00 0.00 H new ATOM 1156 N ALA A 455 -3.041 7.973 -5.334 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.231 6.963 -4.302 1.00 0.00 C ATOM 1158 C ALA A 455 -4.680 6.491 -4.254 1.00 0.00 C ATOM 1159 O ALA A 455 -4.950 5.303 -4.085 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.805 7.507 -2.946 1.00 0.00 C ATOM 0 H ALA A 455 -2.583 8.825 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.606 6.105 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.952 6.741 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.752 7.786 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.405 8.383 -2.701 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.608 7.432 -4.402 1.00 0.00 N ATOM 1167 CA GLN A 456 -7.030 7.111 -4.375 1.00 0.00 C ATOM 1168 C GLN A 456 -7.375 6.074 -5.438 1.00 0.00 C ATOM 1169 O GLN A 456 -8.044 5.079 -5.156 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.864 8.375 -4.589 1.00 0.00 C ATOM 1171 CG GLN A 456 -8.116 9.161 -3.311 1.00 0.00 C ATOM 1172 CD GLN A 456 -9.103 8.474 -2.389 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -10.127 7.954 -2.833 1.00 0.00 O ATOM 1174 NE2 GLN A 456 -8.799 8.468 -1.096 1.00 0.00 N ATOM 0 H GLN A 456 -5.401 8.421 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.263 6.692 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.356 9.018 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.821 8.098 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.172 9.304 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.492 10.152 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -7.939 8.911 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.425 8.020 -0.427 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.918 6.314 -6.663 1.00 0.00 N ATOM 1184 CA ALA A 457 -7.176 5.400 -7.768 1.00 0.00 C ATOM 1185 C ALA A 457 -7.096 3.948 -7.310 1.00 0.00 C ATOM 1186 O ALA A 457 -7.903 3.113 -7.718 1.00 0.00 O ATOM 1187 CB ALA A 457 -6.195 5.652 -8.903 1.00 0.00 C ATOM 0 H ALA A 457 -6.367 7.135 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 457 -8.188 5.584 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.400 4.962 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.304 6.677 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -5.177 5.498 -8.545 1.00 0.00 H new ATOM 1193 N ALA A 458 -6.118 3.653 -6.460 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.934 2.302 -5.946 1.00 0.00 C ATOM 1195 C ALA A 458 -7.086 1.901 -5.032 1.00 0.00 C ATOM 1196 O ALA A 458 -7.836 0.971 -5.333 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.609 2.194 -5.206 1.00 0.00 C ATOM 0 H ALA A 458 -5.441 4.332 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.921 1.617 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.485 1.179 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.791 2.429 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.600 2.896 -4.372 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.221 2.606 -3.914 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.283 2.324 -2.956 1.00 0.00 C ATOM 1205 C ILE A 459 -9.627 2.157 -3.657 1.00 0.00 C ATOM 1206 O ILE A 459 -10.387 1.238 -3.353 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.403 3.440 -1.901 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -7.088 3.590 -1.135 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.549 3.145 -0.945 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -7.026 4.836 -0.278 1.00 0.00 C ATOM 0 H ILE A 459 -6.608 3.377 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 459 -8.017 1.392 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.614 4.380 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -6.945 2.715 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.262 3.607 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.621 3.943 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.483 3.084 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.366 2.197 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.066 4.877 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.138 5.718 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -7.830 4.812 0.457 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.911 3.050 -4.600 1.00 0.00 N ATOM 1223 CA GLN A 460 -11.163 3.000 -5.347 1.00 0.00 C ATOM 1224 C GLN A 460 -11.516 1.565 -5.723 1.00 0.00 C ATOM 1225 O GLN A 460 -12.642 1.116 -5.508 1.00 0.00 O ATOM 1226 CB GLN A 460 -11.064 3.862 -6.607 1.00 0.00 C ATOM 1227 CG GLN A 460 -10.981 5.352 -6.320 1.00 0.00 C ATOM 1228 CD GLN A 460 -11.467 6.198 -7.481 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -10.674 6.669 -8.295 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -12.778 6.395 -7.562 1.00 0.00 N ATOM 0 H GLN A 460 -9.292 3.816 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.954 3.393 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -10.184 3.560 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.932 3.670 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -11.574 5.581 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -9.949 5.617 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -13.399 5.985 -6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -13.163 6.956 -8.322 1.00 0.00 H new ATOM 1239 N SER A 461 -10.547 0.851 -6.287 1.00 0.00 N ATOM 1240 CA SER A 461 -10.756 -0.532 -6.698 1.00 0.00 C ATOM 1241 C SER A 461 -10.229 -1.498 -5.640 1.00 0.00 C ATOM 1242 O SER A 461 -10.967 -2.341 -5.131 1.00 0.00 O ATOM 1243 CB SER A 461 -10.067 -0.798 -8.037 1.00 0.00 C ATOM 1244 OG SER A 461 -10.940 -0.532 -9.121 1.00 0.00 O ATOM 0 H SER A 461 -9.609 1.208 -6.470 1.00 0.00 H new ATOM 0 HA SER A 461 -11.828 -0.694 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 461 -9.177 -0.175 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 461 -9.735 -1.835 -8.079 1.00 0.00 H new ATOM 0 HG SER A 461 -10.476 -0.708 -9.966 1.00 0.00 H new ATOM 1250 N MET A 462 -8.947 -1.369 -5.317 1.00 0.00 N ATOM 1251 CA MET A 462 -8.320 -2.230 -4.320 1.00 0.00 C ATOM 1252 C MET A 462 -9.233 -2.415 -3.112 1.00 0.00 C ATOM 1253 O MET A 462 -9.310 -3.504 -2.543 1.00 0.00 O ATOM 1254 CB MET A 462 -6.980 -1.640 -3.875 1.00 0.00 C ATOM 1255 CG MET A 462 -5.956 -1.546 -4.996 1.00 0.00 C ATOM 1256 SD MET A 462 -5.786 -3.089 -5.912 1.00 0.00 S ATOM 1257 CE MET A 462 -5.292 -4.207 -4.602 1.00 0.00 C ATOM 0 H MET A 462 -8.322 -0.677 -5.730 1.00 0.00 H new ATOM 0 HA MET A 462 -8.146 -3.205 -4.776 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.149 -0.645 -3.464 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.572 -2.252 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.246 -0.751 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 462 -4.989 -1.268 -4.577 1.00 0.00 H new ATOM 0 HE1 MET A 462 -4.977 -5.157 -5.034 1.00 0.00 H new ATOM 0 HE2 MET A 462 -4.464 -3.770 -4.043 1.00 0.00 H new ATOM 0 HE3 MET A 462 -6.134 -4.375 -3.931 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.920 -1.346 -2.725 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.827 -1.392 -1.584 1.00 0.00 C ATOM 1269 C ASN A 463 -11.765 -2.592 -1.682 1.00 0.00 C ATOM 1270 O ASN A 463 -12.698 -2.598 -2.482 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.641 -0.099 -1.500 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.773 -0.193 -0.496 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.573 -0.608 0.647 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -13.972 0.192 -0.918 1.00 0.00 N ATOM 0 H ASN A 463 -9.866 -0.437 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.228 -1.495 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.982 0.725 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.049 0.135 -2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.772 0.151 -0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.092 0.529 -1.873 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.510 -3.605 -0.860 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.340 -4.796 -0.870 1.00 0.00 C ATOM 1283 C GLY A 464 -12.014 -5.720 -2.025 1.00 0.00 C ATOM 1284 O GLY A 464 -12.892 -6.405 -2.549 1.00 0.00 O ATOM 0 H GLY A 464 -10.744 -3.623 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.210 -5.334 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.389 -4.504 -0.927 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.746 -5.740 -2.426 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.307 -6.586 -3.530 1.00 0.00 C ATOM 1290 C PHE A 465 -10.323 -8.058 -3.127 1.00 0.00 C ATOM 1291 O PHE A 465 -9.457 -8.517 -2.382 1.00 0.00 O ATOM 1292 CB PHE A 465 -8.901 -6.184 -3.979 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.413 -6.948 -5.177 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -7.722 -8.139 -5.021 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -8.644 -6.474 -6.459 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -7.273 -8.845 -6.121 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -8.197 -7.176 -7.562 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.510 -8.362 -7.393 1.00 0.00 C ATOM 0 H PHE A 465 -10.006 -5.180 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 465 -11.000 -6.447 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -8.892 -5.119 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.207 -6.337 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -7.532 -8.520 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -9.179 -5.546 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -6.738 -9.773 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -8.385 -6.797 -8.556 1.00 0.00 H new ATOM 0 HZ PHE A 465 -7.159 -8.911 -8.254 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.314 -8.790 -3.623 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.445 -10.209 -3.314 1.00 0.00 C ATOM 1310 C GLN A 466 -10.254 -10.995 -3.853 1.00 0.00 C ATOM 1311 O GLN A 466 -10.164 -11.262 -5.052 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.744 -10.764 -3.901 1.00 0.00 C ATOM 1313 CG GLN A 466 -13.200 -12.060 -3.252 1.00 0.00 C ATOM 1314 CD GLN A 466 -14.092 -12.885 -4.158 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -14.853 -12.342 -4.961 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -14.004 -14.204 -4.037 1.00 0.00 N ATOM 0 H GLN A 466 -12.039 -8.424 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.469 -10.318 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.530 -10.017 -3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.608 -10.931 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -12.326 -12.650 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -13.736 -11.831 -2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -13.360 -14.612 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -14.580 -14.809 -4.622 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.341 -11.362 -2.961 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.156 -12.118 -3.346 1.00 0.00 C ATOM 1327 C ILE A 467 -8.186 -13.525 -2.760 1.00 0.00 C ATOM 1328 O ILE A 467 -8.270 -13.702 -1.546 1.00 0.00 O ATOM 1329 CB ILE A 467 -6.865 -11.412 -2.891 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.637 -12.168 -3.402 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -6.830 -11.298 -1.374 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.330 -11.463 -3.115 1.00 0.00 C ATOM 0 H ILE A 467 -9.399 -11.148 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.162 -12.180 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 467 -6.851 -10.407 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.614 -13.158 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.733 -12.315 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -5.912 -10.797 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -7.689 -10.721 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -6.864 -12.294 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.503 -12.056 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.332 -10.484 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.212 -11.340 -2.038 1.00 0.00 H new ATOM 1344 N GLY A 468 -8.117 -14.526 -3.633 1.00 0.00 N ATOM 1345 CA GLY A 468 -8.136 -15.905 -3.183 1.00 0.00 C ATOM 1346 C GLY A 468 -9.493 -16.323 -2.652 1.00 0.00 C ATOM 1347 O GLY A 468 -10.380 -16.693 -3.420 1.00 0.00 O ATOM 0 H GLY A 468 -8.048 -14.406 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -7.856 -16.558 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -7.387 -16.040 -2.403 1.00 0.00 H new ATOM 1351 N MET A 469 -9.653 -16.267 -1.334 1.00 0.00 N ATOM 1352 CA MET A 469 -10.912 -16.643 -0.701 1.00 0.00 C ATOM 1353 C MET A 469 -11.335 -15.601 0.329 1.00 0.00 C ATOM 1354 O MET A 469 -12.287 -15.808 1.083 1.00 0.00 O ATOM 1355 CB MET A 469 -10.782 -18.013 -0.033 1.00 0.00 C ATOM 1356 CG MET A 469 -10.975 -19.178 -0.990 1.00 0.00 C ATOM 1357 SD MET A 469 -11.010 -20.771 -0.149 1.00 0.00 S ATOM 1358 CE MET A 469 -11.133 -21.889 -1.545 1.00 0.00 C ATOM 0 H MET A 469 -8.927 -15.965 -0.684 1.00 0.00 H new ATOM 0 HA MET A 469 -11.678 -16.695 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 469 -9.797 -18.091 0.427 1.00 0.00 H new ATOM 0 HB3 MET A 469 -11.516 -18.088 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 469 -11.907 -19.041 -1.539 1.00 0.00 H new ATOM 0 HG3 MET A 469 -10.169 -19.177 -1.724 1.00 0.00 H new ATOM 0 HE1 MET A 469 -11.165 -22.918 -1.186 1.00 0.00 H new ATOM 0 HE2 MET A 469 -12.042 -21.672 -2.106 1.00 0.00 H new ATOM 0 HE3 MET A 469 -10.267 -21.758 -2.194 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.624 -14.479 0.356 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.926 -13.403 1.293 1.00 0.00 C ATOM 1370 C LYS A 470 -10.845 -12.044 0.604 1.00 0.00 C ATOM 1371 O LYS A 470 -10.474 -11.951 -0.565 1.00 0.00 O ATOM 1372 CB LYS A 470 -9.959 -13.444 2.478 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.506 -13.627 2.073 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.823 -12.292 1.830 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.328 -12.464 1.607 1.00 0.00 C ATOM 1376 NZ LYS A 470 -5.591 -12.628 2.890 1.00 0.00 N ATOM 0 H LYS A 470 -9.834 -14.291 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.943 -13.547 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.055 -12.519 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.247 -14.258 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -7.975 -14.171 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.453 -14.234 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -8.268 -11.807 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -7.992 -11.635 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -6.153 -13.334 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -5.938 -11.597 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -4.722 -13.175 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -5.343 -11.692 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -6.192 -13.132 3.574 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.193 -10.992 1.339 1.00 0.00 N ATOM 1391 CA ARG A 471 -11.159 -9.638 0.798 1.00 0.00 C ATOM 1392 C ARG A 471 -10.019 -8.835 1.417 1.00 0.00 C ATOM 1393 O ARG A 471 -9.382 -9.276 2.374 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.492 -8.932 1.052 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.679 -9.613 0.390 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.998 -9.086 0.934 1.00 0.00 C ATOM 1397 NE ARG A 471 -16.146 -9.741 0.312 1.00 0.00 N ATOM 1398 CZ ARG A 471 -16.508 -9.546 -0.951 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -15.815 -8.720 -1.723 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -17.565 -10.179 -1.444 1.00 0.00 N ATOM 0 H ARG A 471 -11.501 -11.051 2.309 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.991 -9.706 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.667 -8.880 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.425 -7.906 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.638 -9.452 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.620 -10.689 0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -15.033 -9.240 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -15.057 -8.011 0.763 1.00 0.00 H new ATOM 0 HE ARG A 471 -16.700 -10.383 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -15.002 -8.232 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -16.095 -8.572 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -18.100 -10.816 -0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -17.843 -10.029 -2.414 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.766 -7.654 0.861 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.702 -6.789 1.357 1.00 0.00 C ATOM 1416 C LEU A 472 -9.255 -5.429 1.774 1.00 0.00 C ATOM 1417 O LEU A 472 -10.324 -5.017 1.322 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.625 -6.607 0.287 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.948 -7.886 -0.209 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -6.054 -7.589 -1.401 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -6.149 -8.535 0.913 1.00 0.00 C ATOM 0 H LEU A 472 -10.283 -7.275 0.068 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.260 -7.265 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.073 -6.102 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.856 -5.943 0.683 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.722 -8.584 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.581 -8.511 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.653 -7.170 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -5.286 -6.873 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.674 -9.444 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.384 -7.842 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.817 -8.785 1.738 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.520 -4.736 2.637 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.934 -3.421 3.112 1.00 0.00 C ATOM 1435 C LYS A 473 -7.812 -2.403 2.942 1.00 0.00 C ATOM 1436 O LYS A 473 -6.874 -2.359 3.738 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.351 -3.495 4.582 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.786 -2.160 5.160 1.00 0.00 C ATOM 1439 CD LYS A 473 -10.556 -2.337 6.458 1.00 0.00 C ATOM 1440 CE LYS A 473 -10.371 -1.144 7.382 1.00 0.00 C ATOM 1441 NZ LYS A 473 -11.127 0.048 6.907 1.00 0.00 N ATOM 0 H LYS A 473 -7.634 -5.063 3.022 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.787 -3.099 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -10.169 -4.209 4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.517 -3.881 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -8.909 -1.537 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.408 -1.635 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -11.616 -2.468 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -10.220 -3.244 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -10.702 -1.408 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -9.311 -0.898 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -10.975 0.840 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -10.793 0.316 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -12.141 -0.178 6.866 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.914 -1.583 1.901 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.909 -0.563 1.628 1.00 0.00 C ATOM 1457 C VAL A 474 -7.432 0.828 1.968 1.00 0.00 C ATOM 1458 O VAL A 474 -8.500 1.229 1.509 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.469 -0.588 0.152 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.258 0.306 -0.060 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.175 -2.013 -0.291 1.00 0.00 C ATOM 0 H VAL A 474 -8.684 -1.605 1.232 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.049 -0.789 2.259 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.285 -0.203 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.962 0.275 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.509 1.330 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.433 -0.045 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.866 -2.013 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.376 -2.428 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -7.072 -2.621 -0.179 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.669 1.560 2.774 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.056 2.907 3.176 1.00 0.00 C ATOM 1473 C GLN A 475 -5.827 3.761 3.474 1.00 0.00 C ATOM 1474 O GLN A 475 -4.809 3.256 3.950 1.00 0.00 O ATOM 1475 CB GLN A 475 -7.966 2.854 4.405 1.00 0.00 C ATOM 1476 CG GLN A 475 -9.444 2.760 4.064 1.00 0.00 C ATOM 1477 CD GLN A 475 -10.017 4.079 3.580 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -10.086 5.051 4.333 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -10.431 4.117 2.320 1.00 0.00 N ATOM 0 H GLN A 475 -5.780 1.243 3.161 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.601 3.363 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -7.687 1.996 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -7.797 3.745 5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -9.588 2.002 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -9.996 2.430 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -10.354 3.287 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -10.826 4.977 1.939 1.00 0.00 H new ATOM 1488 N LEU A 476 -5.929 5.054 3.192 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.826 5.979 3.430 1.00 0.00 C ATOM 1490 C LEU A 476 -4.922 6.594 4.822 1.00 0.00 C ATOM 1491 O LEU A 476 -5.968 7.112 5.214 1.00 0.00 O ATOM 1492 CB LEU A 476 -4.821 7.083 2.371 1.00 0.00 C ATOM 1493 CG LEU A 476 -5.812 8.227 2.591 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.268 9.215 3.611 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.117 8.928 1.276 1.00 0.00 C ATOM 0 H LEU A 476 -6.764 5.487 2.798 1.00 0.00 H new ATOM 0 HA LEU A 476 -3.894 5.418 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -3.817 7.504 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.029 6.630 1.401 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.740 7.809 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -5.986 10.022 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.101 8.704 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.326 9.628 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -6.824 9.739 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.196 9.333 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.550 8.214 0.575 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.821 6.535 5.566 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.779 7.089 6.914 1.00 0.00 C ATOM 1509 C LYS A 477 -4.647 8.340 7.016 1.00 0.00 C ATOM 1510 O LYS A 477 -4.434 9.315 6.297 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.337 7.424 7.305 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.069 7.308 8.795 1.00 0.00 C ATOM 1513 CD LYS A 477 -0.661 7.761 9.145 1.00 0.00 C ATOM 1514 CE LYS A 477 -0.450 7.813 10.650 1.00 0.00 C ATOM 1515 NZ LYS A 477 0.700 8.685 11.019 1.00 0.00 N ATOM 0 H LYS A 477 -2.947 6.109 5.258 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.171 6.339 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.660 6.758 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -2.108 8.439 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -2.793 7.910 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -2.209 6.274 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 477 0.063 7.080 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.478 8.746 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -1.355 8.183 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -0.277 6.805 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 0.811 8.694 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 1.569 8.318 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 0.524 9.653 10.681 1.00 0.00 H new