USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 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 338 ASN : amide:sc= -0.864 K(o=-1.9,f=-6.2!) USER MOD Set 1.2: A 398 ASN : amide:sc= -2.41 K(o=-1.9,f=-6.1!) USER MOD Set 1.3: A 402 TYR OH : rot -161:sc= 1.39 USER MOD Single : A 325 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 327 ASN : amide:sc= -2.64 K(o=-2.6,f=-5!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 ASN : amide:sc= -3.02 K(o=-3,f=-8!) USER MOD Single : A 403 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 404 THR OG1 : rot 75:sc= 1.02 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.583 K(o=-0.58,f=-2.1) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 421 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.52) USER MOD Single : A 422 ASN : amide:sc= -4.55! C(o=-4.5!,f=-10!) USER MOD Single : A 423 SER OG : rot 61:sc= -0.601 USER MOD Single : A 424 SER OG : rot 170:sc= 0.0722 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -15.305 -3.001 -6.711 1.00 0.00 N ATOM 348 CA CYS A 320 -14.196 -2.374 -7.484 1.00 0.00 C ATOM 349 C CYS A 320 -14.592 -2.244 -8.955 1.00 0.00 C ATOM 350 O CYS A 320 -15.600 -2.772 -9.387 1.00 0.00 O ATOM 351 CB CYS A 320 -13.011 -3.336 -7.330 1.00 0.00 C ATOM 352 SG CYS A 320 -11.502 -2.405 -6.962 1.00 0.00 S ATOM 0 HA CYS A 320 -13.956 -1.372 -7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -13.212 -4.049 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -12.878 -3.912 -8.246 1.00 0.00 H new ATOM 357 N GLU A 321 -13.800 -1.548 -9.723 1.00 0.00 N ATOM 358 CA GLU A 321 -14.113 -1.375 -11.175 1.00 0.00 C ATOM 359 C GLU A 321 -13.939 -2.709 -11.909 1.00 0.00 C ATOM 360 O GLU A 321 -13.440 -3.670 -11.354 1.00 0.00 O ATOM 361 CB GLU A 321 -13.106 -0.336 -11.687 1.00 0.00 C ATOM 362 CG GLU A 321 -11.671 -0.837 -11.468 1.00 0.00 C ATOM 363 CD GLU A 321 -10.794 0.312 -10.965 1.00 0.00 C ATOM 364 OE1 GLU A 321 -10.648 1.281 -11.692 1.00 0.00 O ATOM 365 OE2 GLU A 321 -10.282 0.204 -9.863 1.00 0.00 O ATOM 0 H GLU A 321 -12.945 -1.089 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 321 -15.140 -1.051 -11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -13.275 -0.146 -12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -13.252 0.610 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -11.667 -1.653 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -11.268 -1.234 -12.400 1.00 0.00 H new ATOM 372 N ASP A 322 -14.348 -2.775 -13.153 1.00 0.00 N ATOM 373 CA ASP A 322 -14.213 -4.049 -13.937 1.00 0.00 C ATOM 374 C ASP A 322 -12.781 -4.599 -13.849 1.00 0.00 C ATOM 375 O ASP A 322 -12.554 -5.786 -13.989 1.00 0.00 O ATOM 376 CB ASP A 322 -14.558 -3.674 -15.384 1.00 0.00 C ATOM 377 CG ASP A 322 -13.612 -2.576 -15.880 1.00 0.00 C ATOM 378 OD1 ASP A 322 -13.684 -1.477 -15.355 1.00 0.00 O ATOM 379 OD2 ASP A 322 -12.832 -2.854 -16.776 1.00 0.00 O ATOM 0 H ASP A 322 -14.771 -2.000 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 322 -14.869 -4.829 -13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.477 -4.552 -16.025 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -15.591 -3.330 -15.443 1.00 0.00 H new ATOM 384 N ILE A 323 -11.820 -3.740 -13.616 1.00 0.00 N ATOM 385 CA ILE A 323 -10.403 -4.202 -13.514 1.00 0.00 C ATOM 386 C ILE A 323 -9.519 -3.080 -12.930 1.00 0.00 C ATOM 387 O ILE A 323 -9.376 -2.039 -13.542 1.00 0.00 O ATOM 388 CB ILE A 323 -9.990 -4.539 -14.954 1.00 0.00 C ATOM 389 CG1 ILE A 323 -8.538 -5.026 -14.968 1.00 0.00 C ATOM 390 CG2 ILE A 323 -10.118 -3.300 -15.847 1.00 0.00 C ATOM 391 CD1 ILE A 323 -8.460 -6.421 -14.343 1.00 0.00 C ATOM 0 H ILE A 323 -11.957 -2.737 -13.492 1.00 0.00 H new ATOM 0 HA ILE A 323 -10.291 -5.062 -12.853 1.00 0.00 H new ATOM 0 HB ILE A 323 -10.646 -5.321 -15.335 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -8.162 -5.053 -15.991 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -7.905 -4.332 -14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -9.822 -3.553 -16.865 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -11.152 -2.955 -15.845 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -9.471 -2.509 -15.467 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -7.426 -6.767 -14.353 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -8.819 -6.379 -13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -9.079 -7.111 -14.916 1.00 0.00 H new ATOM 403 N PRO A 324 -8.945 -3.314 -11.765 1.00 0.00 N ATOM 404 CA PRO A 324 -8.076 -2.283 -11.142 1.00 0.00 C ATOM 405 C PRO A 324 -6.765 -2.163 -11.922 1.00 0.00 C ATOM 406 O PRO A 324 -6.491 -2.951 -12.809 1.00 0.00 O ATOM 407 CB PRO A 324 -7.830 -2.818 -9.732 1.00 0.00 C ATOM 408 CG PRO A 324 -8.021 -4.295 -9.842 1.00 0.00 C ATOM 409 CD PRO A 324 -9.038 -4.524 -10.929 1.00 0.00 C ATOM 0 HA PRO A 324 -8.522 -1.288 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.825 -2.574 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.527 -2.382 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -7.080 -4.789 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -8.366 -4.711 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -8.814 -5.423 -11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -10.040 -4.649 -10.518 1.00 0.00 H new ATOM 417 N HIS A 325 -5.956 -1.183 -11.605 1.00 0.00 N ATOM 418 CA HIS A 325 -4.665 -1.012 -12.338 1.00 0.00 C ATOM 419 C HIS A 325 -3.570 -0.497 -11.399 1.00 0.00 C ATOM 420 O HIS A 325 -3.390 0.696 -11.238 1.00 0.00 O ATOM 421 CB HIS A 325 -4.964 0.018 -13.426 1.00 0.00 C ATOM 422 CG HIS A 325 -3.845 0.023 -14.432 1.00 0.00 C ATOM 423 ND1 HIS A 325 -2.798 0.930 -14.367 1.00 0.00 N ATOM 424 CD2 HIS A 325 -3.595 -0.761 -15.530 1.00 0.00 C ATOM 425 CE1 HIS A 325 -1.974 0.671 -15.400 1.00 0.00 C ATOM 426 NE2 HIS A 325 -2.413 -0.351 -16.140 1.00 0.00 N ATOM 0 H HIS A 325 -6.133 -0.496 -10.872 1.00 0.00 H new ATOM 0 HA HIS A 325 -4.303 -1.954 -12.750 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -5.908 -0.219 -13.917 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -5.075 1.008 -12.984 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -4.221 -1.573 -15.870 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -1.068 1.222 -15.605 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -1.976 -0.746 -16.973 1.00 0.00 H new ATOM 434 N VAL A 326 -2.828 -1.389 -10.794 1.00 0.00 N ATOM 435 CA VAL A 326 -1.726 -0.961 -9.876 1.00 0.00 C ATOM 436 C VAL A 326 -0.434 -1.692 -10.268 1.00 0.00 C ATOM 437 O VAL A 326 -0.473 -2.699 -10.951 1.00 0.00 O ATOM 438 CB VAL A 326 -2.184 -1.329 -8.446 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.574 -0.739 -8.179 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.256 -2.852 -8.274 1.00 0.00 C ATOM 0 H VAL A 326 -2.937 -2.398 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.522 0.108 -9.936 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.459 -0.921 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.893 -1.001 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.534 0.346 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.285 -1.142 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.580 -3.089 -7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -2.968 -3.266 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.271 -3.285 -8.450 1.00 0.00 H new ATOM 450 N ASN A 327 0.702 -1.194 -9.853 1.00 0.00 N ATOM 451 CA ASN A 327 1.989 -1.862 -10.219 1.00 0.00 C ATOM 452 C ASN A 327 2.350 -2.927 -9.183 1.00 0.00 C ATOM 453 O ASN A 327 2.695 -2.623 -8.056 1.00 0.00 O ATOM 454 CB ASN A 327 3.030 -0.744 -10.223 1.00 0.00 C ATOM 455 CG ASN A 327 2.948 0.028 -11.540 1.00 0.00 C ATOM 456 OD1 ASN A 327 2.390 1.107 -11.592 1.00 0.00 O ATOM 457 ND2 ASN A 327 3.485 -0.480 -12.616 1.00 0.00 N ATOM 0 H ASN A 327 0.795 -0.356 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 327 1.929 -2.367 -11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.858 -0.070 -9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 327 4.028 -1.163 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 327 3.436 0.028 -13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 327 3.953 -1.385 -12.574 1.00 0.00 H new ATOM 464 N GLU A 328 2.272 -4.175 -9.564 1.00 0.00 N ATOM 465 CA GLU A 328 2.608 -5.281 -8.619 1.00 0.00 C ATOM 466 C GLU A 328 4.097 -5.623 -8.719 1.00 0.00 C ATOM 467 O GLU A 328 4.645 -5.728 -9.801 1.00 0.00 O ATOM 468 CB GLU A 328 1.756 -6.466 -9.076 1.00 0.00 C ATOM 469 CG GLU A 328 0.442 -6.487 -8.293 1.00 0.00 C ATOM 470 CD GLU A 328 -0.576 -7.358 -9.030 1.00 0.00 C ATOM 471 OE1 GLU A 328 -0.882 -7.044 -10.169 1.00 0.00 O ATOM 472 OE2 GLU A 328 -1.034 -8.325 -8.443 1.00 0.00 O ATOM 0 H GLU A 328 1.988 -4.478 -10.496 1.00 0.00 H new ATOM 0 HA GLU A 328 2.410 -5.013 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.553 -6.390 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.299 -7.398 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 328 0.611 -6.876 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 328 0.056 -5.474 -8.181 1.00 0.00 H new ATOM 479 N PHE A 329 4.751 -5.797 -7.600 1.00 0.00 N ATOM 480 CA PHE A 329 6.207 -6.134 -7.621 1.00 0.00 C ATOM 481 C PHE A 329 6.474 -7.365 -6.740 1.00 0.00 C ATOM 482 O PHE A 329 6.664 -7.231 -5.547 1.00 0.00 O ATOM 483 CB PHE A 329 6.912 -4.896 -7.051 1.00 0.00 C ATOM 484 CG PHE A 329 8.074 -4.512 -7.939 1.00 0.00 C ATOM 485 CD1 PHE A 329 7.856 -4.211 -9.288 1.00 0.00 C ATOM 486 CD2 PHE A 329 9.368 -4.456 -7.409 1.00 0.00 C ATOM 487 CE1 PHE A 329 8.934 -3.854 -10.108 1.00 0.00 C ATOM 488 CE2 PHE A 329 10.446 -4.099 -8.228 1.00 0.00 C ATOM 489 CZ PHE A 329 10.228 -3.798 -9.578 1.00 0.00 C ATOM 0 H PHE A 329 4.339 -5.720 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 329 6.563 -6.376 -8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.208 -4.067 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.267 -5.101 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 329 6.857 -4.254 -9.697 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.535 -4.688 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 329 8.767 -3.622 -11.149 1.00 0.00 H new ATOM 0 HE2 PHE A 329 11.445 -4.056 -7.819 1.00 0.00 H new ATOM 0 HZ PHE A 329 11.059 -3.522 -10.211 1.00 0.00 H new ATOM 499 N PRO A 330 6.482 -8.532 -7.349 1.00 0.00 N ATOM 500 CA PRO A 330 6.734 -9.776 -6.580 1.00 0.00 C ATOM 501 C PRO A 330 8.212 -9.875 -6.194 1.00 0.00 C ATOM 502 O PRO A 330 8.549 -10.251 -5.087 1.00 0.00 O ATOM 503 CB PRO A 330 6.352 -10.888 -7.553 1.00 0.00 C ATOM 504 CG PRO A 330 6.516 -10.288 -8.913 1.00 0.00 C ATOM 505 CD PRO A 330 6.262 -8.808 -8.779 1.00 0.00 C ATOM 0 HA PRO A 330 6.171 -9.822 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 330 6.994 -11.760 -7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 330 5.327 -11.220 -7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 330 7.519 -10.473 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 330 5.817 -10.736 -9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 330 6.941 -8.229 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.248 -8.549 -9.083 1.00 0.00 H new ATOM 513 N ALA A 331 9.093 -9.541 -7.103 1.00 0.00 N ATOM 514 CA ALA A 331 10.555 -9.613 -6.799 1.00 0.00 C ATOM 515 C ALA A 331 10.943 -8.507 -5.816 1.00 0.00 C ATOM 516 O ALA A 331 11.037 -7.349 -6.177 1.00 0.00 O ATOM 517 CB ALA A 331 11.257 -9.407 -8.143 1.00 0.00 C ATOM 0 H ALA A 331 8.863 -9.221 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 331 10.833 -10.561 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.337 -9.447 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 331 10.954 -10.192 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 331 10.981 -8.435 -8.552 1.00 0.00 H new ATOM 523 N ILE A 332 11.170 -8.860 -4.578 1.00 0.00 N ATOM 524 CA ILE A 332 11.554 -7.841 -3.556 1.00 0.00 C ATOM 525 C ILE A 332 12.551 -8.445 -2.558 1.00 0.00 C ATOM 526 O ILE A 332 12.646 -8.018 -1.423 1.00 0.00 O ATOM 527 CB ILE A 332 10.236 -7.462 -2.871 1.00 0.00 C ATOM 528 CG1 ILE A 332 10.494 -6.392 -1.809 1.00 0.00 C ATOM 529 CG2 ILE A 332 9.615 -8.696 -2.206 1.00 0.00 C ATOM 530 CD1 ILE A 332 9.233 -5.547 -1.618 1.00 0.00 C ATOM 0 H ILE A 332 11.106 -9.816 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 332 12.045 -6.970 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 332 9.549 -7.073 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 332 10.776 -6.861 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 332 11.327 -5.758 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 332 8.679 -8.416 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 332 9.420 -9.457 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 332 10.304 -9.093 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 332 9.417 -4.785 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 332 8.971 -5.067 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 332 8.412 -6.187 -1.296 1.00 0.00 H new ATOM 542 N ASP A 333 13.292 -9.439 -2.977 1.00 0.00 N ATOM 543 CA ASP A 333 14.285 -10.080 -2.062 1.00 0.00 C ATOM 544 C ASP A 333 15.567 -9.245 -1.994 1.00 0.00 C ATOM 545 O ASP A 333 16.063 -8.944 -0.925 1.00 0.00 O ATOM 546 CB ASP A 333 14.570 -11.450 -2.682 1.00 0.00 C ATOM 547 CG ASP A 333 13.598 -12.483 -2.107 1.00 0.00 C ATOM 548 OD1 ASP A 333 13.373 -12.452 -0.909 1.00 0.00 O ATOM 549 OD2 ASP A 333 13.096 -13.286 -2.876 1.00 0.00 O ATOM 0 H ASP A 333 13.252 -9.835 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 333 13.909 -10.163 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 333 14.465 -11.400 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 333 15.598 -11.748 -2.475 1.00 0.00 H new ATOM 554 N LEU A 334 16.104 -8.873 -3.128 1.00 0.00 N ATOM 555 CA LEU A 334 17.357 -8.059 -3.138 1.00 0.00 C ATOM 556 C LEU A 334 17.023 -6.570 -3.268 1.00 0.00 C ATOM 557 O LEU A 334 17.742 -5.720 -2.776 1.00 0.00 O ATOM 558 CB LEU A 334 18.136 -8.546 -4.366 1.00 0.00 C ATOM 559 CG LEU A 334 19.260 -9.506 -3.943 1.00 0.00 C ATOM 560 CD1 LEU A 334 20.241 -8.783 -3.014 1.00 0.00 C ATOM 561 CD2 LEU A 334 18.666 -10.717 -3.214 1.00 0.00 C ATOM 0 H LEU A 334 15.728 -9.098 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 334 17.931 -8.174 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 334 17.460 -9.050 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 334 18.558 -7.694 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 334 19.788 -9.845 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 334 21.035 -9.469 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 334 20.675 -7.930 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 334 19.712 -8.435 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 334 19.468 -11.393 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 334 18.129 -10.380 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 334 17.978 -11.240 -3.878 1.00 0.00 H new ATOM 573 N PHE A 335 15.937 -6.251 -3.927 1.00 0.00 N ATOM 574 CA PHE A 335 15.550 -4.817 -4.093 1.00 0.00 C ATOM 575 C PHE A 335 14.120 -4.595 -3.591 1.00 0.00 C ATOM 576 O PHE A 335 13.454 -5.519 -3.162 1.00 0.00 O ATOM 577 CB PHE A 335 15.638 -4.555 -5.597 1.00 0.00 C ATOM 578 CG PHE A 335 17.070 -4.701 -6.050 1.00 0.00 C ATOM 579 CD1 PHE A 335 17.576 -5.966 -6.376 1.00 0.00 C ATOM 580 CD2 PHE A 335 17.894 -3.574 -6.148 1.00 0.00 C ATOM 581 CE1 PHE A 335 18.904 -6.103 -6.796 1.00 0.00 C ATOM 582 CE2 PHE A 335 19.222 -3.710 -6.569 1.00 0.00 C ATOM 583 CZ PHE A 335 19.727 -4.974 -6.893 1.00 0.00 C ATOM 0 H PHE A 335 15.301 -6.923 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 335 16.194 -4.146 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 335 15.001 -5.256 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 335 15.274 -3.553 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 335 16.941 -6.836 -6.303 1.00 0.00 H new ATOM 0 HD2 PHE A 335 17.505 -2.598 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 335 19.294 -7.079 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 335 19.857 -2.839 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 335 20.752 -5.079 -7.218 1.00 0.00 H new ATOM 593 N GLU A 336 13.646 -3.376 -3.646 1.00 0.00 N ATOM 594 CA GLU A 336 12.259 -3.084 -3.174 1.00 0.00 C ATOM 595 C GLU A 336 11.504 -2.268 -4.227 1.00 0.00 C ATOM 596 O GLU A 336 12.092 -1.499 -4.966 1.00 0.00 O ATOM 597 CB GLU A 336 12.439 -2.271 -1.891 1.00 0.00 C ATOM 598 CG GLU A 336 11.387 -2.697 -0.864 1.00 0.00 C ATOM 599 CD GLU A 336 11.519 -1.834 0.392 1.00 0.00 C ATOM 600 OE1 GLU A 336 12.641 -1.590 0.802 1.00 0.00 O ATOM 601 OE2 GLU A 336 10.496 -1.434 0.922 1.00 0.00 O ATOM 0 H GLU A 336 14.161 -2.569 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 336 11.681 -3.992 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.440 -2.425 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.343 -1.207 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 336 10.388 -2.592 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 336 11.517 -3.749 -0.610 1.00 0.00 H new ATOM 608 N CYS A 337 10.207 -2.429 -4.299 1.00 0.00 N ATOM 609 CA CYS A 337 9.406 -1.663 -5.306 1.00 0.00 C ATOM 610 C CYS A 337 9.525 -0.149 -5.060 1.00 0.00 C ATOM 611 O CYS A 337 9.231 0.647 -5.931 1.00 0.00 O ATOM 612 CB CYS A 337 7.955 -2.133 -5.124 1.00 0.00 C ATOM 613 SG CYS A 337 7.394 -1.811 -3.430 1.00 0.00 S ATOM 0 H CYS A 337 9.667 -3.058 -3.705 1.00 0.00 H new ATOM 0 HA CYS A 337 9.761 -1.841 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.307 -1.617 -5.833 1.00 0.00 H new ATOM 0 HB3 CYS A 337 7.881 -3.198 -5.342 1.00 0.00 H new ATOM 618 N ASN A 338 9.951 0.251 -3.884 1.00 0.00 N ATOM 619 CA ASN A 338 10.085 1.714 -3.585 1.00 0.00 C ATOM 620 C ASN A 338 11.013 2.388 -4.604 1.00 0.00 C ATOM 621 O ASN A 338 10.910 3.574 -4.856 1.00 0.00 O ATOM 622 CB ASN A 338 10.694 1.787 -2.181 1.00 0.00 C ATOM 623 CG ASN A 338 9.765 1.098 -1.178 1.00 0.00 C ATOM 624 OD1 ASN A 338 9.372 -0.034 -1.376 1.00 0.00 O ATOM 625 ND2 ASN A 338 9.399 1.737 -0.101 1.00 0.00 N ATOM 0 H ASN A 338 10.211 -0.372 -3.119 1.00 0.00 H new ATOM 0 HA ASN A 338 9.125 2.228 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 338 11.673 1.307 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 338 10.847 2.827 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 338 8.783 1.286 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 338 9.729 2.688 0.065 1.00 0.00 H new ATOM 632 N LYS A 339 11.914 1.639 -5.189 1.00 0.00 N ATOM 633 CA LYS A 339 12.850 2.232 -6.195 1.00 0.00 C ATOM 634 C LYS A 339 12.064 2.798 -7.381 1.00 0.00 C ATOM 635 O LYS A 339 12.472 3.760 -8.002 1.00 0.00 O ATOM 636 CB LYS A 339 13.742 1.074 -6.650 1.00 0.00 C ATOM 637 CG LYS A 339 14.964 1.630 -7.381 1.00 0.00 C ATOM 638 CD LYS A 339 15.486 0.586 -8.372 1.00 0.00 C ATOM 639 CE LYS A 339 16.076 1.292 -9.595 1.00 0.00 C ATOM 640 NZ LYS A 339 16.863 0.243 -10.301 1.00 0.00 N ATOM 0 H LYS A 339 12.042 0.642 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 339 13.433 3.053 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 339 14.057 0.483 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 339 13.184 0.407 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 339 14.700 2.547 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 339 15.743 1.888 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 339 16.245 -0.035 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 339 14.677 -0.078 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 339 15.291 1.695 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 339 16.709 2.129 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 17.299 0.651 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 17.607 -0.117 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 16.233 -0.538 -10.575 1.00 0.00 H new ATOM 654 N LEU A 340 10.939 2.206 -7.694 1.00 0.00 N ATOM 655 CA LEU A 340 10.118 2.703 -8.838 1.00 0.00 C ATOM 656 C LEU A 340 8.919 3.501 -8.320 1.00 0.00 C ATOM 657 O LEU A 340 7.903 2.943 -7.951 1.00 0.00 O ATOM 658 CB LEU A 340 9.647 1.442 -9.565 1.00 0.00 C ATOM 659 CG LEU A 340 9.653 1.689 -11.075 1.00 0.00 C ATOM 660 CD1 LEU A 340 11.069 1.494 -11.620 1.00 0.00 C ATOM 661 CD2 LEU A 340 8.705 0.700 -11.756 1.00 0.00 C ATOM 0 H LEU A 340 10.554 1.398 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 340 10.682 3.366 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 340 10.299 0.604 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 340 8.644 1.172 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 340 9.324 2.708 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 340 11.072 1.670 -12.696 1.00 0.00 H new ATOM 0 HD12 LEU A 340 11.746 2.198 -11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 340 11.399 0.475 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.708 0.875 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 340 9.035 -0.319 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 340 7.695 0.838 -11.369 1.00 0.00 H new ATOM 673 N VAL A 341 9.034 4.805 -8.291 1.00 0.00 N ATOM 674 CA VAL A 341 7.906 5.653 -7.798 1.00 0.00 C ATOM 675 C VAL A 341 7.222 6.366 -8.974 1.00 0.00 C ATOM 676 O VAL A 341 6.061 6.721 -8.900 1.00 0.00 O ATOM 677 CB VAL A 341 8.552 6.660 -6.836 1.00 0.00 C ATOM 678 CG1 VAL A 341 9.600 7.499 -7.573 1.00 0.00 C ATOM 679 CG2 VAL A 341 7.474 7.583 -6.261 1.00 0.00 C ATOM 0 H VAL A 341 9.863 5.320 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 341 7.133 5.067 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 341 9.038 6.114 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 341 10.051 8.209 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 341 10.373 6.844 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 341 9.123 8.042 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 341 7.933 8.298 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 341 6.984 8.120 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 341 6.736 6.989 -5.722 1.00 0.00 H new ATOM 689 N PHE A 342 7.936 6.575 -10.053 1.00 0.00 N ATOM 690 CA PHE A 342 7.332 7.263 -11.233 1.00 0.00 C ATOM 691 C PHE A 342 7.215 6.286 -12.409 1.00 0.00 C ATOM 692 O PHE A 342 7.799 6.489 -13.458 1.00 0.00 O ATOM 693 CB PHE A 342 8.300 8.398 -11.568 1.00 0.00 C ATOM 694 CG PHE A 342 8.125 9.521 -10.574 1.00 0.00 C ATOM 695 CD1 PHE A 342 6.863 10.101 -10.389 1.00 0.00 C ATOM 696 CD2 PHE A 342 9.222 9.982 -9.837 1.00 0.00 C ATOM 697 CE1 PHE A 342 6.701 11.143 -9.468 1.00 0.00 C ATOM 698 CE2 PHE A 342 9.059 11.023 -8.916 1.00 0.00 C ATOM 699 CZ PHE A 342 7.798 11.603 -8.731 1.00 0.00 C ATOM 0 H PHE A 342 8.911 6.298 -10.166 1.00 0.00 H new ATOM 0 HA PHE A 342 6.328 7.634 -11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 342 9.327 8.033 -11.543 1.00 0.00 H new ATOM 0 HB3 PHE A 342 8.115 8.761 -12.579 1.00 0.00 H new ATOM 0 HD1 PHE A 342 6.016 9.745 -10.956 1.00 0.00 H new ATOM 0 HD2 PHE A 342 10.194 9.534 -9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 342 5.729 11.592 -9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 342 9.906 11.379 -8.348 1.00 0.00 H new ATOM 0 HZ PHE A 342 7.672 12.406 -8.019 1.00 0.00 H new ATOM 709 N GLU A 343 6.461 5.230 -12.238 1.00 0.00 N ATOM 710 CA GLU A 343 6.297 4.234 -13.341 1.00 0.00 C ATOM 711 C GLU A 343 4.938 4.402 -14.041 1.00 0.00 C ATOM 712 O GLU A 343 4.569 3.601 -14.880 1.00 0.00 O ATOM 713 CB GLU A 343 6.388 2.861 -12.661 1.00 0.00 C ATOM 714 CG GLU A 343 5.288 2.721 -11.600 1.00 0.00 C ATOM 715 CD GLU A 343 5.890 2.896 -10.203 1.00 0.00 C ATOM 716 OE1 GLU A 343 6.563 3.891 -9.990 1.00 0.00 O ATOM 717 OE2 GLU A 343 5.668 2.033 -9.370 1.00 0.00 O ATOM 0 H GLU A 343 5.951 5.014 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 343 7.057 4.361 -14.112 1.00 0.00 H new ATOM 0 HB2 GLU A 343 6.288 2.071 -13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 343 7.367 2.741 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 343 4.511 3.467 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 343 4.813 1.743 -11.682 1.00 0.00 H new ATOM 724 N LEU A 344 4.195 5.434 -13.712 1.00 0.00 N ATOM 725 CA LEU A 344 2.870 5.648 -14.366 1.00 0.00 C ATOM 726 C LEU A 344 2.981 6.759 -15.412 1.00 0.00 C ATOM 727 O LEU A 344 2.456 6.651 -16.504 1.00 0.00 O ATOM 728 CB LEU A 344 1.930 6.066 -13.234 1.00 0.00 C ATOM 729 CG LEU A 344 1.128 4.853 -12.758 1.00 0.00 C ATOM 730 CD1 LEU A 344 2.030 3.937 -11.930 1.00 0.00 C ATOM 731 CD2 LEU A 344 -0.045 5.325 -11.895 1.00 0.00 C ATOM 0 H LEU A 344 4.452 6.136 -13.018 1.00 0.00 H new ATOM 0 HA LEU A 344 2.510 4.757 -14.881 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.504 6.483 -12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 344 1.254 6.849 -13.579 1.00 0.00 H new ATOM 0 HG LEU A 344 0.750 4.307 -13.622 1.00 0.00 H new ATOM 0 HD11 LEU A 344 1.458 3.073 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 344 2.867 3.601 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.408 4.483 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 344 -0.617 4.462 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 344 0.335 5.871 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 344 -0.689 5.979 -12.483 1.00 0.00 H new ATOM 1585 N ASN A 398 6.299 7.076 -0.959 1.00 0.00 N ATOM 1586 CA ASN A 398 6.113 5.762 -1.640 1.00 0.00 C ATOM 1587 C ASN A 398 4.933 5.022 -1.009 1.00 0.00 C ATOM 1588 O ASN A 398 5.074 3.924 -0.505 1.00 0.00 O ATOM 1589 CB ASN A 398 7.421 5.004 -1.406 1.00 0.00 C ATOM 1590 CG ASN A 398 7.543 3.869 -2.425 1.00 0.00 C ATOM 1591 OD1 ASN A 398 7.545 2.709 -2.063 1.00 0.00 O ATOM 1592 ND2 ASN A 398 7.648 4.155 -3.694 1.00 0.00 N ATOM 0 HA ASN A 398 5.897 5.864 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 398 8.269 5.683 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 398 7.444 4.602 -0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 398 7.732 3.405 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 398 7.646 5.128 -3.999 1.00 0.00 H new ATOM 1599 N TRP A 399 3.771 5.628 -1.025 1.00 0.00 N ATOM 1600 CA TRP A 399 2.568 4.980 -0.418 1.00 0.00 C ATOM 1601 C TRP A 399 2.151 3.735 -1.208 1.00 0.00 C ATOM 1602 O TRP A 399 1.158 3.732 -1.911 1.00 0.00 O ATOM 1603 CB TRP A 399 1.459 6.049 -0.443 1.00 0.00 C ATOM 1604 CG TRP A 399 1.156 6.529 -1.843 1.00 0.00 C ATOM 1605 CD1 TRP A 399 1.800 6.162 -2.983 1.00 0.00 C ATOM 1606 CD2 TRP A 399 0.125 7.475 -2.254 1.00 0.00 C ATOM 1607 NE1 TRP A 399 1.227 6.820 -4.055 1.00 0.00 N ATOM 1608 CE2 TRP A 399 0.192 7.641 -3.658 1.00 0.00 C ATOM 1609 CE3 TRP A 399 -0.854 8.199 -1.549 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 -0.680 8.493 -4.338 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 -1.733 9.057 -2.230 1.00 0.00 C ATOM 1612 CH2 TRP A 399 -1.646 9.204 -3.621 1.00 0.00 C ATOM 0 H TRP A 399 3.604 6.547 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 399 2.771 4.639 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 399 0.552 5.639 0.002 1.00 0.00 H new ATOM 0 HB3 TRP A 399 1.761 6.897 0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 399 2.626 5.468 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 399 1.532 6.712 -5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 399 -0.930 8.094 -0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 -0.609 8.602 -5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 -2.481 9.607 -1.678 1.00 0.00 H new ATOM 0 HH2 TRP A 399 -2.325 9.866 -4.138 1.00 0.00 H new ATOM 1623 N GLY A 400 2.900 2.669 -1.074 1.00 0.00 N ATOM 1624 CA GLY A 400 2.560 1.404 -1.787 1.00 0.00 C ATOM 1625 C GLY A 400 1.876 0.456 -0.805 1.00 0.00 C ATOM 1626 O GLY A 400 1.463 0.862 0.266 1.00 0.00 O ATOM 0 H GLY A 400 3.739 2.623 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 400 1.903 1.611 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.462 0.944 -2.190 1.00 0.00 H new ATOM 1630 N ASN A 401 1.747 -0.801 -1.152 1.00 0.00 N ATOM 1631 CA ASN A 401 1.079 -1.768 -0.222 1.00 0.00 C ATOM 1632 C ASN A 401 1.741 -3.149 -0.328 1.00 0.00 C ATOM 1633 O ASN A 401 2.245 -3.520 -1.371 1.00 0.00 O ATOM 1634 CB ASN A 401 -0.391 -1.847 -0.671 1.00 0.00 C ATOM 1635 CG ASN A 401 -0.976 -0.449 -0.918 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -0.958 0.395 -0.046 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -1.501 -0.172 -2.081 1.00 0.00 N ATOM 0 H ASN A 401 2.073 -1.199 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 401 1.162 -1.445 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.463 -2.440 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.979 -2.360 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -1.895 0.752 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.517 -0.880 -2.815 1.00 0.00 H new ATOM 1644 N TYR A 402 1.746 -3.914 0.745 1.00 0.00 N ATOM 1645 CA TYR A 402 2.381 -5.273 0.692 1.00 0.00 C ATOM 1646 C TYR A 402 1.510 -6.307 1.424 1.00 0.00 C ATOM 1647 O TYR A 402 1.425 -6.306 2.638 1.00 0.00 O ATOM 1648 CB TYR A 402 3.738 -5.150 1.411 1.00 0.00 C ATOM 1649 CG TYR A 402 4.547 -3.987 0.873 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.237 -2.678 1.261 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.618 -4.222 0.002 1.00 0.00 C ATOM 1652 CE1 TYR A 402 4.995 -1.605 0.777 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.375 -3.150 -0.483 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.063 -1.841 -0.095 1.00 0.00 C ATOM 1655 OH TYR A 402 6.811 -0.784 -0.573 1.00 0.00 O ATOM 0 H TYR A 402 1.342 -3.658 1.646 1.00 0.00 H new ATOM 0 HA TYR A 402 2.496 -5.603 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.574 -5.017 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.302 -6.075 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.412 -2.496 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 402 5.860 -5.232 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 402 4.755 -0.596 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.200 -3.332 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 402 7.302 -1.066 -1.373 1.00 0.00 H new ATOM 1665 N ASN A 403 0.876 -7.198 0.703 1.00 0.00 N ATOM 1666 CA ASN A 403 0.034 -8.245 1.367 1.00 0.00 C ATOM 1667 C ASN A 403 -0.030 -9.501 0.494 1.00 0.00 C ATOM 1668 O ASN A 403 -0.904 -9.639 -0.342 1.00 0.00 O ATOM 1669 CB ASN A 403 -1.349 -7.623 1.523 1.00 0.00 C ATOM 1670 CG ASN A 403 -1.976 -8.091 2.839 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -2.955 -8.808 2.838 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -1.446 -7.709 3.970 1.00 0.00 N ATOM 0 H ASN A 403 0.904 -7.247 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 403 0.444 -8.548 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -1.274 -6.536 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -1.984 -7.908 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -1.855 -8.013 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -0.623 -7.106 3.970 1.00 0.00 H new ATOM 1679 N THR A 404 0.887 -10.415 0.683 1.00 0.00 N ATOM 1680 CA THR A 404 0.884 -11.667 -0.134 1.00 0.00 C ATOM 1681 C THR A 404 1.501 -12.820 0.661 1.00 0.00 C ATOM 1682 O THR A 404 2.119 -12.616 1.689 1.00 0.00 O ATOM 1683 CB THR A 404 1.728 -11.355 -1.376 1.00 0.00 C ATOM 1684 OG1 THR A 404 2.776 -10.452 -1.038 1.00 0.00 O ATOM 1685 CG2 THR A 404 0.837 -10.733 -2.453 1.00 0.00 C ATOM 0 H THR A 404 1.639 -10.349 1.369 1.00 0.00 H new ATOM 0 HA THR A 404 -0.127 -11.971 -0.405 1.00 0.00 H new ATOM 0 HB THR A 404 2.166 -12.279 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 404 3.473 -10.931 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 404 1.435 -10.511 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 404 0.044 -11.433 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 404 0.395 -9.812 -2.073 1.00 0.00 H new ATOM 1693 N GLU A 405 1.339 -14.029 0.187 1.00 0.00 N ATOM 1694 CA GLU A 405 1.916 -15.205 0.907 1.00 0.00 C ATOM 1695 C GLU A 405 3.446 -15.136 0.895 1.00 0.00 C ATOM 1696 O GLU A 405 4.102 -15.656 1.778 1.00 0.00 O ATOM 1697 CB GLU A 405 1.430 -16.432 0.133 1.00 0.00 C ATOM 1698 CG GLU A 405 1.304 -17.620 1.089 1.00 0.00 C ATOM 1699 CD GLU A 405 0.749 -18.828 0.332 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -0.309 -18.697 -0.260 1.00 0.00 O ATOM 1701 OE2 GLU A 405 1.394 -19.865 0.357 1.00 0.00 O ATOM 0 H GLU A 405 0.831 -14.253 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 405 1.606 -15.236 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.467 -16.223 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 405 2.128 -16.669 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 405 2.277 -17.861 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 405 0.646 -17.364 1.919 1.00 0.00 H new ATOM 1708 N THR A 406 4.017 -14.499 -0.098 1.00 0.00 N ATOM 1709 CA THR A 406 5.505 -14.397 -0.169 1.00 0.00 C ATOM 1710 C THR A 406 5.953 -12.947 0.091 1.00 0.00 C ATOM 1711 O THR A 406 6.281 -12.593 1.209 1.00 0.00 O ATOM 1712 CB THR A 406 5.865 -14.862 -1.588 1.00 0.00 C ATOM 1713 OG1 THR A 406 5.481 -16.221 -1.745 1.00 0.00 O ATOM 1714 CG2 THR A 406 7.375 -14.734 -1.813 1.00 0.00 C ATOM 0 H THR A 406 3.515 -14.046 -0.862 1.00 0.00 H new ATOM 0 HA THR A 406 6.007 -15.005 0.584 1.00 0.00 H new ATOM 0 HB THR A 406 5.341 -14.241 -2.314 1.00 0.00 H new ATOM 0 HG1 THR A 406 5.707 -16.522 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 406 7.622 -15.066 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 406 7.674 -13.693 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 406 7.905 -15.352 -1.088 1.00 0.00 H new ATOM 1722 N GLN A 407 5.975 -12.106 -0.921 1.00 0.00 N ATOM 1723 CA GLN A 407 6.406 -10.686 -0.715 1.00 0.00 C ATOM 1724 C GLN A 407 6.178 -9.868 -1.991 1.00 0.00 C ATOM 1725 O GLN A 407 7.091 -9.633 -2.758 1.00 0.00 O ATOM 1726 CB GLN A 407 7.902 -10.759 -0.393 1.00 0.00 C ATOM 1727 CG GLN A 407 8.291 -9.575 0.496 1.00 0.00 C ATOM 1728 CD GLN A 407 7.721 -9.779 1.900 1.00 0.00 C ATOM 1729 OE1 GLN A 407 8.096 -10.703 2.593 1.00 0.00 O ATOM 1730 NE2 GLN A 407 6.820 -8.949 2.351 1.00 0.00 N ATOM 0 H GLN A 407 5.713 -12.343 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 407 5.840 -10.202 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.131 -11.697 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 407 8.484 -10.743 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.376 -9.483 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 407 7.911 -8.647 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 407 6.505 -8.173 1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 407 6.431 -9.077 3.285 1.00 0.00 H new ATOM 1739 N LYS A 408 4.964 -9.433 -2.219 1.00 0.00 N ATOM 1740 CA LYS A 408 4.668 -8.626 -3.441 1.00 0.00 C ATOM 1741 C LYS A 408 4.435 -7.160 -3.058 1.00 0.00 C ATOM 1742 O LYS A 408 4.293 -6.833 -1.896 1.00 0.00 O ATOM 1743 CB LYS A 408 3.393 -9.238 -4.025 1.00 0.00 C ATOM 1744 CG LYS A 408 3.647 -10.702 -4.393 1.00 0.00 C ATOM 1745 CD LYS A 408 2.799 -11.080 -5.608 1.00 0.00 C ATOM 1746 CE LYS A 408 3.048 -12.545 -5.970 1.00 0.00 C ATOM 1747 NZ LYS A 408 2.414 -12.726 -7.305 1.00 0.00 N ATOM 0 H LYS A 408 4.164 -9.603 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 408 5.490 -8.643 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 408 2.581 -9.170 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 408 3.081 -8.680 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 408 4.704 -10.854 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.401 -11.347 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.743 -10.923 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 408 3.049 -10.438 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 408 4.115 -12.767 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 408 2.608 -13.214 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 2.544 -13.708 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 1.398 -12.515 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 2.857 -12.081 -7.990 1.00 0.00 H new ATOM 1761 N CYS A 409 4.400 -6.278 -4.027 1.00 0.00 N ATOM 1762 CA CYS A 409 4.181 -4.831 -3.720 1.00 0.00 C ATOM 1763 C CYS A 409 3.224 -4.201 -4.738 1.00 0.00 C ATOM 1764 O CYS A 409 3.510 -4.145 -5.918 1.00 0.00 O ATOM 1765 CB CYS A 409 5.570 -4.193 -3.822 1.00 0.00 C ATOM 1766 SG CYS A 409 5.471 -2.427 -3.425 1.00 0.00 S ATOM 0 H CYS A 409 4.514 -6.498 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 409 3.731 -4.684 -2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.259 -4.690 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 409 5.968 -4.326 -4.828 1.00 0.00 H new ATOM 1771 N GLU A 410 2.101 -3.710 -4.279 1.00 0.00 N ATOM 1772 CA GLU A 410 1.124 -3.061 -5.203 1.00 0.00 C ATOM 1773 C GLU A 410 1.103 -1.552 -4.950 1.00 0.00 C ATOM 1774 O GLU A 410 0.946 -1.110 -3.826 1.00 0.00 O ATOM 1775 CB GLU A 410 -0.229 -3.681 -4.852 1.00 0.00 C ATOM 1776 CG GLU A 410 -0.198 -5.181 -5.150 1.00 0.00 C ATOM 1777 CD GLU A 410 -1.629 -5.704 -5.287 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -2.366 -5.153 -6.087 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.963 -6.648 -4.589 1.00 0.00 O ATOM 0 H GLU A 410 1.818 -3.731 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 410 1.377 -3.212 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -0.455 -3.514 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -1.021 -3.202 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.358 -5.369 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 410 0.319 -5.711 -4.350 1.00 0.00 H new ATOM 1786 N ILE A 411 1.266 -0.757 -5.979 1.00 0.00 N ATOM 1787 CA ILE A 411 1.263 0.728 -5.785 1.00 0.00 C ATOM 1788 C ILE A 411 0.468 1.424 -6.896 1.00 0.00 C ATOM 1789 O ILE A 411 0.526 1.049 -8.052 1.00 0.00 O ATOM 1790 CB ILE A 411 2.748 1.156 -5.805 1.00 0.00 C ATOM 1791 CG1 ILE A 411 2.868 2.689 -5.760 1.00 0.00 C ATOM 1792 CG2 ILE A 411 3.425 0.658 -7.085 1.00 0.00 C ATOM 1793 CD1 ILE A 411 2.211 3.240 -4.494 1.00 0.00 C ATOM 0 H ILE A 411 1.400 -1.069 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 411 0.783 1.010 -4.848 1.00 0.00 H new ATOM 0 HB ILE A 411 3.233 0.722 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 411 3.918 2.979 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 411 2.395 3.123 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 411 4.471 0.966 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.367 -0.430 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 411 2.920 1.083 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 411 2.305 4.326 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 411 1.156 2.967 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 411 2.703 2.820 -3.617 1.00 0.00 H new ATOM 1805 N PHE A 412 -0.270 2.446 -6.538 1.00 0.00 N ATOM 1806 CA PHE A 412 -1.076 3.197 -7.544 1.00 0.00 C ATOM 1807 C PHE A 412 -1.624 4.488 -6.915 1.00 0.00 C ATOM 1808 O PHE A 412 -1.632 5.536 -7.532 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.216 2.249 -7.941 1.00 0.00 C ATOM 1810 CG PHE A 412 -3.054 1.899 -6.730 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -2.584 0.970 -5.792 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -4.300 2.510 -6.544 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -3.360 0.652 -4.673 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -5.075 2.192 -5.423 1.00 0.00 C ATOM 1815 CZ PHE A 412 -4.605 1.262 -4.487 1.00 0.00 C ATOM 0 H PHE A 412 -0.348 2.793 -5.582 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.488 3.493 -8.412 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -2.841 2.719 -8.701 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.806 1.341 -8.383 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -1.622 0.500 -5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.663 3.227 -7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -2.998 -0.065 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -6.036 2.664 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.203 1.016 -3.622 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.080 4.415 -5.686 1.00 0.00 N ATOM 1826 CA ASN A 413 -2.631 5.623 -4.991 1.00 0.00 C ATOM 1827 C ASN A 413 -3.018 5.256 -3.553 1.00 0.00 C ATOM 1828 O ASN A 413 -2.774 4.152 -3.102 1.00 0.00 O ATOM 1829 CB ASN A 413 -3.881 6.033 -5.783 1.00 0.00 C ATOM 1830 CG ASN A 413 -3.972 7.559 -5.836 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -3.008 8.225 -6.155 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -5.099 8.144 -5.535 1.00 0.00 N ATOM 0 H ASN A 413 -2.094 3.560 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 413 -1.903 6.433 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -3.835 5.625 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -4.774 5.621 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -5.170 9.161 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -5.909 7.584 -5.267 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.624 6.170 -2.835 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.036 5.870 -1.426 1.00 0.00 C ATOM 1841 C VAL A 414 -5.015 4.687 -1.407 1.00 0.00 C ATOM 1842 O VAL A 414 -5.702 4.427 -2.375 1.00 0.00 O ATOM 1843 CB VAL A 414 -4.710 7.152 -0.918 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -5.917 7.495 -1.798 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -5.175 6.952 0.528 1.00 0.00 C ATOM 0 H VAL A 414 -3.851 7.109 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.191 5.591 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.991 7.970 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -6.389 8.406 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.587 7.647 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -6.635 6.676 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -5.653 7.864 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -5.887 6.128 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.316 6.722 1.158 1.00 0.00 H new ATOM 1855 N LYS A 415 -5.076 3.971 -0.312 1.00 0.00 N ATOM 1856 CA LYS A 415 -6.004 2.797 -0.222 1.00 0.00 C ATOM 1857 C LYS A 415 -7.461 3.224 -0.503 1.00 0.00 C ATOM 1858 O LYS A 415 -8.063 3.911 0.298 1.00 0.00 O ATOM 1859 CB LYS A 415 -5.860 2.276 1.216 1.00 0.00 C ATOM 1860 CG LYS A 415 -6.224 3.377 2.219 1.00 0.00 C ATOM 1861 CD LYS A 415 -5.465 3.149 3.527 1.00 0.00 C ATOM 1862 CE LYS A 415 -6.053 4.046 4.620 1.00 0.00 C ATOM 1863 NZ LYS A 415 -5.915 3.261 5.876 1.00 0.00 N ATOM 0 H LYS A 415 -4.523 4.148 0.526 1.00 0.00 H new ATOM 0 HA LYS A 415 -5.759 2.032 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -6.507 1.412 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -4.837 1.941 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -5.975 4.355 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -7.298 3.374 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -5.535 2.102 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -4.407 3.371 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -5.517 4.993 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -7.097 4.285 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -6.297 3.810 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -6.441 2.368 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -4.910 3.055 6.048 1.00 0.00 H new ATOM 1877 N PRO A 416 -7.997 2.806 -1.636 1.00 0.00 N ATOM 1878 CA PRO A 416 -9.392 3.166 -1.979 1.00 0.00 C ATOM 1879 C PRO A 416 -10.370 2.220 -1.275 1.00 0.00 C ATOM 1880 O PRO A 416 -10.002 1.504 -0.361 1.00 0.00 O ATOM 1881 CB PRO A 416 -9.453 2.971 -3.490 1.00 0.00 C ATOM 1882 CG PRO A 416 -8.387 1.967 -3.809 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.377 1.981 -2.687 1.00 0.00 C ATOM 0 HA PRO A 416 -9.661 4.177 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -10.435 2.613 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -9.277 3.910 -4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -8.821 0.973 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -7.906 2.210 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -7.170 0.973 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -6.427 2.404 -3.014 1.00 0.00 H new ATOM 1891 N THR A 417 -11.609 2.210 -1.696 1.00 0.00 N ATOM 1892 CA THR A 417 -12.615 1.308 -1.060 1.00 0.00 C ATOM 1893 C THR A 417 -12.819 0.059 -1.925 1.00 0.00 C ATOM 1894 O THR A 417 -13.904 -0.205 -2.409 1.00 0.00 O ATOM 1895 CB THR A 417 -13.900 2.135 -0.991 1.00 0.00 C ATOM 1896 OG1 THR A 417 -14.134 2.749 -2.251 1.00 0.00 O ATOM 1897 CG2 THR A 417 -13.756 3.212 0.085 1.00 0.00 C ATOM 0 H THR A 417 -11.968 2.789 -2.455 1.00 0.00 H new ATOM 0 HA THR A 417 -12.303 0.964 -0.074 1.00 0.00 H new ATOM 0 HB THR A 417 -14.739 1.485 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 417 -14.958 3.278 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 417 -14.671 3.802 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 417 -13.576 2.740 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 417 -12.918 3.864 -0.162 1.00 0.00 H new ATOM 1905 N CYS A 418 -11.777 -0.707 -2.122 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.888 -1.941 -2.954 1.00 0.00 C ATOM 1907 C CYS A 418 -11.539 -3.173 -2.111 1.00 0.00 C ATOM 1908 O CYS A 418 -10.919 -3.068 -1.069 1.00 0.00 O ATOM 1909 CB CYS A 418 -10.869 -1.739 -4.081 1.00 0.00 C ATOM 1910 SG CYS A 418 -10.881 -3.165 -5.198 1.00 0.00 S ATOM 0 H CYS A 418 -10.848 -0.529 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.894 -2.102 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -11.105 -0.831 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -9.872 -1.606 -3.660 1.00 0.00 H new ATOM 1915 N LEU A 419 -11.936 -4.336 -2.559 1.00 0.00 N ATOM 1916 CA LEU A 419 -11.636 -5.584 -1.796 1.00 0.00 C ATOM 1917 C LEU A 419 -10.250 -6.121 -2.175 1.00 0.00 C ATOM 1918 O LEU A 419 -10.100 -7.271 -2.544 1.00 0.00 O ATOM 1919 CB LEU A 419 -12.731 -6.572 -2.216 1.00 0.00 C ATOM 1920 CG LEU A 419 -13.934 -6.484 -1.264 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -13.502 -6.850 0.158 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -14.506 -5.061 -1.273 1.00 0.00 C ATOM 0 H LEU A 419 -12.457 -4.475 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 419 -11.624 -5.418 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -13.051 -6.357 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -12.333 -7.587 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 419 -14.700 -7.183 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -14.360 -6.785 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -13.109 -7.867 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -12.728 -6.159 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -15.358 -5.007 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -13.739 -4.358 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -14.828 -4.805 -2.282 1.00 0.00 H new ATOM 1934 N ILE A 420 -9.239 -5.295 -2.084 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.858 -5.742 -2.431 1.00 0.00 C ATOM 1936 C ILE A 420 -6.834 -4.799 -1.790 1.00 0.00 C ATOM 1937 O ILE A 420 -5.792 -4.516 -2.352 1.00 0.00 O ATOM 1938 CB ILE A 420 -7.798 -5.683 -3.965 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -6.441 -6.225 -4.458 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -7.985 -4.238 -4.447 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -6.644 -7.578 -5.145 1.00 0.00 C ATOM 0 H ILE A 420 -9.313 -4.324 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 420 -7.629 -6.743 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 420 -8.600 -6.299 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -5.987 -5.518 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -5.755 -6.332 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.941 -4.209 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -8.954 -3.866 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -7.194 -3.612 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -5.683 -7.958 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.079 -8.284 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -7.315 -7.457 -5.996 1.00 0.00 H new ATOM 1953 N ASN A 421 -7.138 -4.309 -0.618 1.00 0.00 N ATOM 1954 CA ASN A 421 -6.204 -3.375 0.078 1.00 0.00 C ATOM 1955 C ASN A 421 -5.075 -4.155 0.756 1.00 0.00 C ATOM 1956 O ASN A 421 -5.310 -4.991 1.608 1.00 0.00 O ATOM 1957 CB ASN A 421 -7.064 -2.659 1.124 1.00 0.00 C ATOM 1958 CG ASN A 421 -6.218 -1.614 1.855 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -6.150 -1.613 3.069 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -5.568 -0.720 1.164 1.00 0.00 N ATOM 0 H ASN A 421 -7.998 -4.516 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 421 -5.733 -2.676 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -7.916 -2.180 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -7.464 -3.381 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -5.002 -0.019 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -5.626 -0.722 0.146 1.00 0.00 H new ATOM 1967 N ASN A 422 -3.852 -3.881 0.381 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.694 -4.594 0.996 1.00 0.00 C ATOM 1969 C ASN A 422 -2.144 -3.775 2.176 1.00 0.00 C ATOM 1970 O ASN A 422 -2.775 -2.834 2.620 1.00 0.00 O ATOM 1971 CB ASN A 422 -1.669 -4.705 -0.136 1.00 0.00 C ATOM 1972 CG ASN A 422 -1.891 -6.005 -0.909 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -0.963 -6.756 -1.136 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -3.090 -6.306 -1.326 1.00 0.00 N ATOM 0 H ASN A 422 -3.605 -3.191 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 422 -2.956 -5.573 1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -1.761 -3.851 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -0.659 -4.682 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -3.248 -7.171 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -3.869 -5.676 -1.136 1.00 0.00 H new ATOM 1981 N SER A 423 -0.988 -4.125 2.695 1.00 0.00 N ATOM 1982 CA SER A 423 -0.426 -3.357 3.857 1.00 0.00 C ATOM 1983 C SER A 423 0.018 -1.955 3.420 1.00 0.00 C ATOM 1984 O SER A 423 1.122 -1.758 2.953 1.00 0.00 O ATOM 1985 CB SER A 423 0.769 -4.177 4.345 1.00 0.00 C ATOM 1986 OG SER A 423 1.854 -4.023 3.443 1.00 0.00 O ATOM 0 H SER A 423 -0.414 -4.902 2.368 1.00 0.00 H new ATOM 0 HA SER A 423 -1.167 -3.215 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.063 -3.851 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.494 -5.229 4.422 1.00 0.00 H new ATOM 0 HG SER A 423 2.116 -3.080 3.405 1.00 0.00 H new ATOM 1992 N SER A 424 -0.839 -0.975 3.572 1.00 0.00 N ATOM 1993 CA SER A 424 -0.477 0.423 3.164 1.00 0.00 C ATOM 1994 C SER A 424 0.820 0.878 3.846 1.00 0.00 C ATOM 1995 O SER A 424 1.086 0.542 4.985 1.00 0.00 O ATOM 1996 CB SER A 424 -1.650 1.298 3.614 1.00 0.00 C ATOM 1997 OG SER A 424 -2.870 0.597 3.411 1.00 0.00 O ATOM 0 H SER A 424 -1.776 -1.081 3.961 1.00 0.00 H new ATOM 0 HA SER A 424 -0.305 0.491 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.539 1.560 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 424 -1.657 2.232 3.052 1.00 0.00 H new ATOM 0 HG SER A 424 -3.603 1.084 3.843 1.00 0.00 H new ATOM 2003 N TYR A 425 1.624 1.640 3.150 1.00 0.00 N ATOM 2004 CA TYR A 425 2.909 2.131 3.736 1.00 0.00 C ATOM 2005 C TYR A 425 3.273 3.491 3.133 1.00 0.00 C ATOM 2006 O TYR A 425 3.936 3.565 2.117 1.00 0.00 O ATOM 2007 CB TYR A 425 3.950 1.082 3.342 1.00 0.00 C ATOM 2008 CG TYR A 425 5.283 1.429 3.965 1.00 0.00 C ATOM 2009 CD1 TYR A 425 5.609 0.937 5.235 1.00 0.00 C ATOM 2010 CD2 TYR A 425 6.194 2.242 3.275 1.00 0.00 C ATOM 2011 CE1 TYR A 425 6.842 1.256 5.815 1.00 0.00 C ATOM 2012 CE2 TYR A 425 7.427 2.560 3.857 1.00 0.00 C ATOM 2013 CZ TYR A 425 7.751 2.067 5.127 1.00 0.00 C ATOM 2014 OH TYR A 425 8.967 2.381 5.699 1.00 0.00 O ATOM 0 H TYR A 425 1.445 1.946 2.194 1.00 0.00 H new ATOM 0 HA TYR A 425 2.848 2.262 4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.629 0.094 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.045 1.039 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 425 4.908 0.311 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 425 5.945 2.622 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 425 7.092 0.876 6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 425 8.129 3.186 3.326 1.00 0.00 H new ATOM 0 HH TYR A 425 9.478 2.952 5.088 1.00 0.00 H new ATOM 2024 N ILE A 426 2.843 4.562 3.750 1.00 0.00 N ATOM 2025 CA ILE A 426 3.163 5.918 3.209 1.00 0.00 C ATOM 2026 C ILE A 426 4.513 6.402 3.750 1.00 0.00 C ATOM 2027 O ILE A 426 4.623 6.855 4.874 1.00 0.00 O ATOM 2028 CB ILE A 426 2.010 6.815 3.674 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.707 6.308 3.042 1.00 0.00 C ATOM 2030 CG2 ILE A 426 2.266 8.262 3.231 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -0.480 7.148 3.525 1.00 0.00 C ATOM 0 H ILE A 426 2.285 4.557 4.604 1.00 0.00 H new ATOM 0 HA ILE A 426 3.254 5.925 2.123 1.00 0.00 H new ATOM 0 HB ILE A 426 1.935 6.785 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.778 6.358 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.551 5.261 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 426 1.444 8.895 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 426 3.198 8.617 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 426 2.338 8.302 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.398 6.777 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -0.559 7.076 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -0.328 8.189 3.241 1.00 0.00 H new ATOM 2043 N ALA A 427 5.535 6.306 2.944 1.00 0.00 N ATOM 2044 CA ALA A 427 6.895 6.752 3.369 1.00 0.00 C ATOM 2045 C ALA A 427 7.790 6.878 2.133 1.00 0.00 C ATOM 2046 O ALA A 427 7.810 6.004 1.287 1.00 0.00 O ATOM 2047 CB ALA A 427 7.406 5.653 4.305 1.00 0.00 C ATOM 0 H ALA A 427 5.486 5.933 1.996 1.00 0.00 H new ATOM 0 HA ALA A 427 6.887 7.721 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 427 8.404 5.912 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 427 6.732 5.558 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 427 7.446 4.706 3.767 1.00 0.00 H new