USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 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 403 ASN : amide:sc= -2.43 K(o=-3.8,f=-11!) USER MOD Set 1.2: A 422 ASN : amide:sc= -1.35 X(o=-3.8,f=-3.6!) USER MOD Single : A 325 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-0.93) USER MOD Single : A 327 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.015) USER MOD Single : A 338 ASN : amide:sc= -1.71 K(o=-1.7,f=-10!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 ASN : amide:sc= -3.98 X(o=-4,f=-4.3!) USER MOD Single : A 401 ASN : amide:sc= -4.84 X(o=-4.8,f=-4.6!) USER MOD Single : A 402 TYR OH : rot -54:sc= 0.115 USER MOD Single : A 404 THR OG1 : rot 96:sc= -0.0815 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 408 LYS NZ :NH3+ -145:sc= 1.24 (180deg=-0.75) USER MOD Single : A 413 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.9) USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 424 SER OG : rot -170:sc= 0.0458 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -16.988 -3.280 -3.879 1.00 0.00 N ATOM 348 CA CYS A 320 -16.398 -2.377 -4.915 1.00 0.00 C ATOM 349 C CYS A 320 -16.232 -3.131 -6.237 1.00 0.00 C ATOM 350 O CYS A 320 -15.428 -4.038 -6.348 1.00 0.00 O ATOM 351 CB CYS A 320 -15.031 -1.970 -4.356 1.00 0.00 C ATOM 352 SG CYS A 320 -15.154 -0.351 -3.553 1.00 0.00 S ATOM 0 HA CYS A 320 -17.029 -1.512 -5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -14.684 -2.716 -3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -14.296 -1.933 -5.160 1.00 0.00 H new ATOM 357 N GLU A 321 -16.990 -2.761 -7.239 1.00 0.00 N ATOM 358 CA GLU A 321 -16.886 -3.452 -8.559 1.00 0.00 C ATOM 359 C GLU A 321 -16.739 -2.425 -9.687 1.00 0.00 C ATOM 360 O GLU A 321 -17.677 -1.728 -10.027 1.00 0.00 O ATOM 361 CB GLU A 321 -18.197 -4.225 -8.704 1.00 0.00 C ATOM 362 CG GLU A 321 -18.188 -5.427 -7.759 1.00 0.00 C ATOM 363 CD GLU A 321 -19.258 -6.430 -8.196 1.00 0.00 C ATOM 364 OE1 GLU A 321 -18.999 -7.174 -9.128 1.00 0.00 O ATOM 365 OE2 GLU A 321 -20.318 -6.437 -7.592 1.00 0.00 O ATOM 0 H GLU A 321 -17.677 -2.009 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 321 -16.017 -4.108 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -19.042 -3.575 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -18.322 -4.560 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -17.206 -5.901 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -18.377 -5.100 -6.736 1.00 0.00 H new ATOM 372 N ASP A 322 -15.568 -2.331 -10.268 1.00 0.00 N ATOM 373 CA ASP A 322 -15.354 -1.352 -11.377 1.00 0.00 C ATOM 374 C ASP A 322 -14.141 -1.775 -12.226 1.00 0.00 C ATOM 375 O ASP A 322 -14.296 -2.426 -13.242 1.00 0.00 O ATOM 376 CB ASP A 322 -15.120 -0.004 -10.679 1.00 0.00 C ATOM 377 CG ASP A 322 -16.311 0.924 -10.928 1.00 0.00 C ATOM 378 OD1 ASP A 322 -16.725 1.031 -12.072 1.00 0.00 O ATOM 379 OD2 ASP A 322 -16.791 1.512 -9.972 1.00 0.00 O ATOM 0 H ASP A 322 -14.751 -2.890 -10.022 1.00 0.00 H new ATOM 0 HA ASP A 322 -16.200 -1.297 -12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.985 -0.157 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -14.205 0.455 -11.053 1.00 0.00 H new ATOM 384 N ILE A 323 -12.939 -1.426 -11.819 1.00 0.00 N ATOM 385 CA ILE A 323 -11.731 -1.832 -12.612 1.00 0.00 C ATOM 386 C ILE A 323 -10.501 -1.972 -11.696 1.00 0.00 C ATOM 387 O ILE A 323 -9.733 -1.042 -11.552 1.00 0.00 O ATOM 388 CB ILE A 323 -11.493 -0.733 -13.664 1.00 0.00 C ATOM 389 CG1 ILE A 323 -11.505 0.679 -13.002 1.00 0.00 C ATOM 390 CG2 ILE A 323 -12.541 -0.851 -14.783 1.00 0.00 C ATOM 391 CD1 ILE A 323 -12.912 1.303 -12.967 1.00 0.00 C ATOM 0 H ILE A 323 -12.744 -0.882 -10.979 1.00 0.00 H new ATOM 0 HA ILE A 323 -11.892 -2.799 -13.088 1.00 0.00 H new ATOM 0 HB ILE A 323 -10.507 -0.867 -14.108 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -11.120 0.603 -11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -10.832 1.339 -13.550 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -12.370 -0.072 -15.526 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -12.458 -1.829 -15.257 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -13.539 -0.736 -14.360 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -12.863 2.285 -12.496 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -13.289 1.407 -13.984 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -13.581 0.660 -12.396 1.00 0.00 H new ATOM 403 N PRO A 324 -10.339 -3.138 -11.106 1.00 0.00 N ATOM 404 CA PRO A 324 -9.177 -3.371 -10.210 1.00 0.00 C ATOM 405 C PRO A 324 -7.889 -3.504 -11.030 1.00 0.00 C ATOM 406 O PRO A 324 -7.675 -4.494 -11.704 1.00 0.00 O ATOM 407 CB PRO A 324 -9.512 -4.688 -9.517 1.00 0.00 C ATOM 408 CG PRO A 324 -10.440 -5.393 -10.453 1.00 0.00 C ATOM 409 CD PRO A 324 -11.197 -4.332 -11.208 1.00 0.00 C ATOM 0 HA PRO A 324 -9.011 -2.555 -9.507 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -8.613 -5.277 -9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -9.983 -4.516 -8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -9.883 -6.031 -11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -11.126 -6.038 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -11.358 -4.620 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -12.180 -4.156 -10.770 1.00 0.00 H new ATOM 417 N HIS A 325 -7.033 -2.514 -10.977 1.00 0.00 N ATOM 418 CA HIS A 325 -5.758 -2.579 -11.752 1.00 0.00 C ATOM 419 C HIS A 325 -4.627 -1.891 -10.981 1.00 0.00 C ATOM 420 O HIS A 325 -4.586 -0.680 -10.877 1.00 0.00 O ATOM 421 CB HIS A 325 -6.049 -1.830 -13.056 1.00 0.00 C ATOM 422 CG HIS A 325 -4.940 -2.067 -14.053 1.00 0.00 C ATOM 423 ND1 HIS A 325 -3.800 -2.798 -13.746 1.00 0.00 N ATOM 424 CD2 HIS A 325 -4.787 -1.670 -15.359 1.00 0.00 C ATOM 425 CE1 HIS A 325 -3.022 -2.817 -14.844 1.00 0.00 C ATOM 426 NE2 HIS A 325 -3.577 -2.145 -15.856 1.00 0.00 N ATOM 0 H HIS A 325 -7.163 -1.663 -10.430 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.439 -3.606 -11.931 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -6.999 -2.165 -13.472 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -6.147 -0.763 -12.857 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -5.498 -1.078 -15.916 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -2.065 -3.315 -14.900 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -3.196 -2.009 -16.792 1.00 0.00 H new ATOM 434 N VAL A 326 -3.709 -2.655 -10.444 1.00 0.00 N ATOM 435 CA VAL A 326 -2.574 -2.050 -9.680 1.00 0.00 C ATOM 436 C VAL A 326 -1.234 -2.573 -10.210 1.00 0.00 C ATOM 437 O VAL A 326 -1.173 -3.600 -10.860 1.00 0.00 O ATOM 438 CB VAL A 326 -2.788 -2.484 -8.224 1.00 0.00 C ATOM 439 CG1 VAL A 326 -4.126 -1.939 -7.721 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.796 -4.014 -8.130 1.00 0.00 C ATOM 0 H VAL A 326 -3.696 -3.673 -10.502 1.00 0.00 H new ATOM 0 HA VAL A 326 -2.549 -0.965 -9.778 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.977 -2.091 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -4.279 -2.247 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -4.120 -0.851 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.934 -2.331 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.948 -4.314 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.603 -4.412 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.842 -4.405 -8.485 1.00 0.00 H new ATOM 450 N ASN A 327 -0.164 -1.870 -9.937 1.00 0.00 N ATOM 451 CA ASN A 327 1.178 -2.318 -10.422 1.00 0.00 C ATOM 452 C ASN A 327 1.848 -3.211 -9.373 1.00 0.00 C ATOM 453 O ASN A 327 1.887 -2.885 -8.202 1.00 0.00 O ATOM 454 CB ASN A 327 1.981 -1.025 -10.626 1.00 0.00 C ATOM 455 CG ASN A 327 2.198 -0.781 -12.121 1.00 0.00 C ATOM 456 OD1 ASN A 327 3.275 -0.402 -12.537 1.00 0.00 O ATOM 457 ND2 ASN A 327 1.213 -0.983 -12.952 1.00 0.00 N ATOM 0 H ASN A 327 -0.161 -1.004 -9.398 1.00 0.00 H new ATOM 0 HA ASN A 327 1.112 -2.903 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 327 1.450 -0.182 -10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 327 2.942 -1.098 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 327 1.347 -0.823 -13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 327 0.309 -1.301 -12.603 1.00 0.00 H new ATOM 464 N GLU A 328 2.373 -4.335 -9.790 1.00 0.00 N ATOM 465 CA GLU A 328 3.045 -5.260 -8.828 1.00 0.00 C ATOM 466 C GLU A 328 4.539 -4.934 -8.733 1.00 0.00 C ATOM 467 O GLU A 328 5.102 -4.304 -9.607 1.00 0.00 O ATOM 468 CB GLU A 328 2.834 -6.657 -9.415 1.00 0.00 C ATOM 469 CG GLU A 328 1.576 -7.281 -8.807 1.00 0.00 C ATOM 470 CD GLU A 328 1.073 -8.404 -9.715 1.00 0.00 C ATOM 471 OE1 GLU A 328 0.412 -8.098 -10.694 1.00 0.00 O ATOM 472 OE2 GLU A 328 1.354 -9.553 -9.415 1.00 0.00 O ATOM 0 H GLU A 328 2.365 -4.653 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 328 2.640 -5.175 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.736 -6.597 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.701 -7.285 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.795 -7.673 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 328 0.803 -6.522 -8.687 1.00 0.00 H new ATOM 479 N PHE A 329 5.181 -5.362 -7.674 1.00 0.00 N ATOM 480 CA PHE A 329 6.640 -5.082 -7.509 1.00 0.00 C ATOM 481 C PHE A 329 7.349 -6.305 -6.901 1.00 0.00 C ATOM 482 O PHE A 329 7.198 -6.572 -5.725 1.00 0.00 O ATOM 483 CB PHE A 329 6.707 -3.893 -6.547 1.00 0.00 C ATOM 484 CG PHE A 329 7.784 -2.933 -6.998 1.00 0.00 C ATOM 485 CD1 PHE A 329 7.612 -2.188 -8.171 1.00 0.00 C ATOM 486 CD2 PHE A 329 8.954 -2.789 -6.242 1.00 0.00 C ATOM 487 CE1 PHE A 329 8.609 -1.298 -8.588 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.951 -1.898 -6.660 1.00 0.00 C ATOM 489 CZ PHE A 329 9.778 -1.153 -7.832 1.00 0.00 C ATOM 0 H PHE A 329 4.756 -5.895 -6.915 1.00 0.00 H new ATOM 0 HA PHE A 329 7.130 -4.868 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 329 5.743 -3.384 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 329 6.918 -4.242 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 329 6.710 -2.300 -8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.088 -3.364 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 329 8.476 -0.723 -9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 329 10.854 -1.786 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 329 10.547 -0.466 -8.153 1.00 0.00 H new ATOM 499 N PRO A 330 8.109 -7.015 -7.711 1.00 0.00 N ATOM 500 CA PRO A 330 8.832 -8.208 -7.201 1.00 0.00 C ATOM 501 C PRO A 330 9.978 -7.774 -6.282 1.00 0.00 C ATOM 502 O PRO A 330 11.141 -7.923 -6.609 1.00 0.00 O ATOM 503 CB PRO A 330 9.367 -8.876 -8.466 1.00 0.00 C ATOM 504 CG PRO A 330 9.460 -7.777 -9.473 1.00 0.00 C ATOM 505 CD PRO A 330 8.369 -6.792 -9.144 1.00 0.00 C ATOM 0 HA PRO A 330 8.203 -8.876 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 330 10.341 -9.333 -8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 330 8.700 -9.668 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 330 10.438 -7.298 -9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 330 9.337 -8.167 -10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 330 8.685 -5.767 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 330 7.477 -6.969 -9.744 1.00 0.00 H new ATOM 513 N ALA A 331 9.651 -7.231 -5.138 1.00 0.00 N ATOM 514 CA ALA A 331 10.711 -6.773 -4.187 1.00 0.00 C ATOM 515 C ALA A 331 11.541 -7.961 -3.690 1.00 0.00 C ATOM 516 O ALA A 331 11.307 -8.485 -2.616 1.00 0.00 O ATOM 517 CB ALA A 331 9.955 -6.128 -3.023 1.00 0.00 C ATOM 0 H ALA A 331 8.693 -7.084 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 331 11.406 -6.079 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 331 10.668 -5.766 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 331 9.361 -5.292 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 331 9.297 -6.865 -2.564 1.00 0.00 H new ATOM 523 N ILE A 332 12.516 -8.378 -4.458 1.00 0.00 N ATOM 524 CA ILE A 332 13.377 -9.523 -4.031 1.00 0.00 C ATOM 525 C ILE A 332 14.656 -8.987 -3.380 1.00 0.00 C ATOM 526 O ILE A 332 15.218 -9.600 -2.492 1.00 0.00 O ATOM 527 CB ILE A 332 13.696 -10.289 -5.320 1.00 0.00 C ATOM 528 CG1 ILE A 332 12.395 -10.802 -5.942 1.00 0.00 C ATOM 529 CG2 ILE A 332 14.607 -11.479 -5.005 1.00 0.00 C ATOM 530 CD1 ILE A 332 12.669 -11.293 -7.365 1.00 0.00 C ATOM 0 H ILE A 332 12.753 -7.974 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 332 12.889 -10.166 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 332 14.201 -9.621 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 332 11.986 -11.612 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 332 11.649 -10.008 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 332 14.830 -12.020 -5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 332 15.535 -11.119 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 332 14.105 -12.146 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 332 11.743 -11.658 -7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 332 13.059 -10.471 -7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 332 13.401 -12.100 -7.337 1.00 0.00 H new ATOM 542 N ASP A 333 15.113 -7.842 -3.819 1.00 0.00 N ATOM 543 CA ASP A 333 16.351 -7.245 -3.234 1.00 0.00 C ATOM 544 C ASP A 333 15.983 -6.370 -2.023 1.00 0.00 C ATOM 545 O ASP A 333 15.041 -6.663 -1.311 1.00 0.00 O ATOM 546 CB ASP A 333 16.961 -6.418 -4.376 1.00 0.00 C ATOM 547 CG ASP A 333 15.996 -5.301 -4.791 1.00 0.00 C ATOM 548 OD1 ASP A 333 15.995 -4.273 -4.135 1.00 0.00 O ATOM 549 OD2 ASP A 333 15.276 -5.495 -5.757 1.00 0.00 O ATOM 0 H ASP A 333 14.680 -7.293 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 333 17.057 -7.990 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 333 17.911 -5.989 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 333 17.172 -7.062 -5.229 1.00 0.00 H new ATOM 554 N LEU A 334 16.709 -5.300 -1.780 1.00 0.00 N ATOM 555 CA LEU A 334 16.389 -4.415 -0.611 1.00 0.00 C ATOM 556 C LEU A 334 14.926 -3.956 -0.666 1.00 0.00 C ATOM 557 O LEU A 334 14.368 -3.764 -1.730 1.00 0.00 O ATOM 558 CB LEU A 334 17.328 -3.214 -0.745 1.00 0.00 C ATOM 559 CG LEU A 334 18.772 -3.667 -0.522 1.00 0.00 C ATOM 560 CD1 LEU A 334 19.729 -2.628 -1.107 1.00 0.00 C ATOM 561 CD2 LEU A 334 19.034 -3.811 0.979 1.00 0.00 C ATOM 0 H LEU A 334 17.508 -5.003 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 334 16.522 -4.935 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 334 17.225 -2.767 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 334 17.060 -2.447 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 334 18.932 -4.626 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 334 20.758 -2.951 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 334 19.543 -2.523 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 334 19.570 -1.669 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 334 20.063 -4.134 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 334 18.874 -2.851 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 334 18.352 -4.551 1.398 1.00 0.00 H new ATOM 573 N PHE A 335 14.305 -3.787 0.473 1.00 0.00 N ATOM 574 CA PHE A 335 12.876 -3.345 0.497 1.00 0.00 C ATOM 575 C PHE A 335 12.766 -1.877 0.075 1.00 0.00 C ATOM 576 O PHE A 335 13.273 -0.993 0.739 1.00 0.00 O ATOM 577 CB PHE A 335 12.424 -3.521 1.948 1.00 0.00 C ATOM 578 CG PHE A 335 12.450 -4.986 2.310 1.00 0.00 C ATOM 579 CD1 PHE A 335 11.712 -5.906 1.556 1.00 0.00 C ATOM 580 CD2 PHE A 335 13.212 -5.424 3.400 1.00 0.00 C ATOM 581 CE1 PHE A 335 11.737 -7.265 1.893 1.00 0.00 C ATOM 582 CE2 PHE A 335 13.237 -6.783 3.735 1.00 0.00 C ATOM 583 CZ PHE A 335 12.499 -7.704 2.982 1.00 0.00 C ATOM 0 H PHE A 335 14.726 -3.936 1.390 1.00 0.00 H new ATOM 0 HA PHE A 335 12.259 -3.921 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 335 13.079 -2.959 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 335 11.418 -3.121 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 335 11.124 -5.568 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 335 13.780 -4.714 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 335 11.168 -7.975 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 335 13.826 -7.121 4.575 1.00 0.00 H new ATOM 0 HZ PHE A 335 12.518 -8.752 3.241 1.00 0.00 H new ATOM 593 N GLU A 336 12.103 -1.617 -1.024 1.00 0.00 N ATOM 594 CA GLU A 336 11.950 -0.207 -1.499 1.00 0.00 C ATOM 595 C GLU A 336 10.927 -0.139 -2.641 1.00 0.00 C ATOM 596 O GLU A 336 11.235 0.294 -3.736 1.00 0.00 O ATOM 597 CB GLU A 336 13.343 0.209 -1.989 1.00 0.00 C ATOM 598 CG GLU A 336 13.810 -0.725 -3.111 1.00 0.00 C ATOM 599 CD GLU A 336 15.331 -0.635 -3.251 1.00 0.00 C ATOM 600 OE1 GLU A 336 16.015 -0.991 -2.307 1.00 0.00 O ATOM 601 OE2 GLU A 336 15.784 -0.210 -4.301 1.00 0.00 O ATOM 0 H GLU A 336 11.660 -2.321 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 336 11.587 0.455 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.318 1.238 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 336 14.052 0.178 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 336 13.515 -1.751 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 336 13.331 -0.450 -4.051 1.00 0.00 H new ATOM 608 N CYS A 337 9.714 -0.565 -2.391 1.00 0.00 N ATOM 609 CA CYS A 337 8.666 -0.527 -3.458 1.00 0.00 C ATOM 610 C CYS A 337 8.429 0.916 -3.914 1.00 0.00 C ATOM 611 O CYS A 337 8.069 1.164 -5.051 1.00 0.00 O ATOM 612 CB CYS A 337 7.404 -1.097 -2.807 1.00 0.00 C ATOM 613 SG CYS A 337 7.690 -2.824 -2.346 1.00 0.00 S ATOM 0 H CYS A 337 9.404 -0.938 -1.494 1.00 0.00 H new ATOM 0 HA CYS A 337 8.958 -1.097 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.141 -0.513 -1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.563 -1.028 -3.497 1.00 0.00 H new ATOM 618 N ASN A 338 8.629 1.865 -3.037 1.00 0.00 N ATOM 619 CA ASN A 338 8.417 3.298 -3.413 1.00 0.00 C ATOM 620 C ASN A 338 9.350 3.696 -4.563 1.00 0.00 C ATOM 621 O ASN A 338 9.063 4.609 -5.315 1.00 0.00 O ATOM 622 CB ASN A 338 8.738 4.108 -2.149 1.00 0.00 C ATOM 623 CG ASN A 338 10.181 3.842 -1.698 1.00 0.00 C ATOM 624 OD1 ASN A 338 10.812 2.905 -2.146 1.00 0.00 O ATOM 625 ND2 ASN A 338 10.731 4.637 -0.823 1.00 0.00 N ATOM 0 H ASN A 338 8.930 1.711 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 338 7.399 3.479 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 338 8.601 5.171 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 338 8.045 3.840 -1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 338 11.689 4.472 -0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 338 10.203 5.424 -0.446 1.00 0.00 H new ATOM 632 N LYS A 339 10.461 3.017 -4.708 1.00 0.00 N ATOM 633 CA LYS A 339 11.413 3.353 -5.809 1.00 0.00 C ATOM 634 C LYS A 339 10.918 2.763 -7.132 1.00 0.00 C ATOM 635 O LYS A 339 10.682 1.575 -7.241 1.00 0.00 O ATOM 636 CB LYS A 339 12.740 2.711 -5.399 1.00 0.00 C ATOM 637 CG LYS A 339 13.820 3.072 -6.422 1.00 0.00 C ATOM 638 CD LYS A 339 15.167 3.224 -5.711 1.00 0.00 C ATOM 639 CE LYS A 339 16.010 4.279 -6.431 1.00 0.00 C ATOM 640 NZ LYS A 339 17.417 3.819 -6.274 1.00 0.00 N ATOM 0 H LYS A 339 10.749 2.243 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 339 11.511 4.429 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.033 3.057 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 339 12.629 1.628 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 339 13.886 2.297 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 339 13.558 4.000 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 339 15.011 3.515 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 339 15.693 2.269 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 339 15.734 4.354 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 339 15.866 5.266 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 18.057 4.492 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 17.653 3.763 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 17.526 2.880 -6.707 1.00 0.00 H new ATOM 654 N LEU A 340 10.760 3.588 -8.137 1.00 0.00 N ATOM 655 CA LEU A 340 10.278 3.083 -9.458 1.00 0.00 C ATOM 656 C LEU A 340 11.371 3.250 -10.519 1.00 0.00 C ATOM 657 O LEU A 340 12.150 4.184 -10.477 1.00 0.00 O ATOM 658 CB LEU A 340 9.058 3.953 -9.797 1.00 0.00 C ATOM 659 CG LEU A 340 7.759 3.157 -9.594 1.00 0.00 C ATOM 660 CD1 LEU A 340 7.739 1.938 -10.528 1.00 0.00 C ATOM 661 CD2 LEU A 340 7.656 2.693 -8.135 1.00 0.00 C ATOM 0 H LEU A 340 10.944 4.590 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 340 10.025 2.023 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 340 9.050 4.841 -9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 340 9.124 4.297 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 340 6.910 3.799 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 340 6.815 1.380 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 340 7.796 2.272 -11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 340 8.591 1.296 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 340 6.733 2.129 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.509 2.058 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 340 7.653 3.561 -7.476 1.00 0.00 H new ATOM 673 N VAL A 341 11.435 2.345 -11.463 1.00 0.00 N ATOM 674 CA VAL A 341 12.479 2.438 -12.532 1.00 0.00 C ATOM 675 C VAL A 341 12.357 3.764 -13.294 1.00 0.00 C ATOM 676 O VAL A 341 13.347 4.365 -13.668 1.00 0.00 O ATOM 677 CB VAL A 341 12.219 1.248 -13.465 1.00 0.00 C ATOM 678 CG1 VAL A 341 12.354 -0.057 -12.677 1.00 0.00 C ATOM 679 CG2 VAL A 341 10.806 1.341 -14.055 1.00 0.00 C ATOM 0 H VAL A 341 10.809 1.544 -11.541 1.00 0.00 H new ATOM 0 HA VAL A 341 13.486 2.410 -12.116 1.00 0.00 H new ATOM 0 HB VAL A 341 12.947 1.266 -14.276 1.00 0.00 H new ATOM 0 HG11 VAL A 341 12.169 -0.903 -13.339 1.00 0.00 H new ATOM 0 HG12 VAL A 341 13.361 -0.131 -12.266 1.00 0.00 H new ATOM 0 HG13 VAL A 341 11.628 -0.068 -11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 341 10.631 0.492 -14.716 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.073 1.330 -13.248 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.708 2.267 -14.621 1.00 0.00 H new ATOM 689 N PHE A 342 11.152 4.220 -13.527 1.00 0.00 N ATOM 690 CA PHE A 342 10.961 5.505 -14.264 1.00 0.00 C ATOM 691 C PHE A 342 9.688 6.206 -13.784 1.00 0.00 C ATOM 692 O PHE A 342 9.740 7.279 -13.212 1.00 0.00 O ATOM 693 CB PHE A 342 10.829 5.101 -15.735 1.00 0.00 C ATOM 694 CG PHE A 342 12.138 5.340 -16.451 1.00 0.00 C ATOM 695 CD1 PHE A 342 12.623 6.644 -16.607 1.00 0.00 C ATOM 696 CD2 PHE A 342 12.865 4.257 -16.961 1.00 0.00 C ATOM 697 CE1 PHE A 342 13.836 6.865 -17.271 1.00 0.00 C ATOM 698 CE2 PHE A 342 14.077 4.479 -17.626 1.00 0.00 C ATOM 699 CZ PHE A 342 14.563 5.783 -17.780 1.00 0.00 C ATOM 0 H PHE A 342 10.291 3.756 -13.238 1.00 0.00 H new ATOM 0 HA PHE A 342 11.785 6.200 -14.104 1.00 0.00 H new ATOM 0 HB2 PHE A 342 10.550 4.050 -15.809 1.00 0.00 H new ATOM 0 HB3 PHE A 342 10.034 5.676 -16.210 1.00 0.00 H new ATOM 0 HD1 PHE A 342 12.062 7.479 -16.215 1.00 0.00 H new ATOM 0 HD2 PHE A 342 12.491 3.251 -16.841 1.00 0.00 H new ATOM 0 HE1 PHE A 342 14.211 7.871 -17.390 1.00 0.00 H new ATOM 0 HE2 PHE A 342 14.637 3.644 -18.020 1.00 0.00 H new ATOM 0 HZ PHE A 342 15.499 5.954 -18.291 1.00 0.00 H new ATOM 709 N GLU A 343 8.549 5.605 -14.013 1.00 0.00 N ATOM 710 CA GLU A 343 7.264 6.228 -13.573 1.00 0.00 C ATOM 711 C GLU A 343 6.121 5.215 -13.670 1.00 0.00 C ATOM 712 O GLU A 343 6.343 4.030 -13.839 1.00 0.00 O ATOM 713 CB GLU A 343 7.033 7.400 -14.535 1.00 0.00 C ATOM 714 CG GLU A 343 6.975 6.893 -15.987 1.00 0.00 C ATOM 715 CD GLU A 343 8.133 7.489 -16.797 1.00 0.00 C ATOM 716 OE1 GLU A 343 9.169 7.753 -16.210 1.00 0.00 O ATOM 717 OE2 GLU A 343 7.960 7.671 -17.992 1.00 0.00 O ATOM 0 H GLU A 343 8.453 4.707 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 343 7.304 6.559 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 343 6.103 7.909 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 343 7.835 8.130 -14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 343 7.031 5.805 -16.003 1.00 0.00 H new ATOM 0 HG3 GLU A 343 6.023 7.170 -16.440 1.00 0.00 H new ATOM 724 N LEU A 344 4.901 5.674 -13.568 1.00 0.00 N ATOM 725 CA LEU A 344 3.733 4.750 -13.658 1.00 0.00 C ATOM 726 C LEU A 344 3.247 4.621 -15.111 1.00 0.00 C ATOM 727 O LEU A 344 2.247 3.983 -15.375 1.00 0.00 O ATOM 728 CB LEU A 344 2.652 5.390 -12.782 1.00 0.00 C ATOM 729 CG LEU A 344 1.954 4.310 -11.950 1.00 0.00 C ATOM 730 CD1 LEU A 344 2.916 3.782 -10.884 1.00 0.00 C ATOM 731 CD2 LEU A 344 0.720 4.907 -11.270 1.00 0.00 C ATOM 0 H LEU A 344 4.663 6.655 -13.425 1.00 0.00 H new ATOM 0 HA LEU A 344 3.986 3.743 -13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.098 6.137 -12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 344 1.924 5.908 -13.406 1.00 0.00 H new ATOM 0 HG LEU A 344 1.650 3.491 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 344 2.418 3.014 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.795 3.355 -11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.221 4.600 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 344 0.223 4.138 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 344 1.024 5.727 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 344 0.032 5.282 -12.028 1.00 0.00 H new ATOM 1585 N ASN A 398 6.285 8.318 -1.026 1.00 0.00 N ATOM 1586 CA ASN A 398 5.930 6.918 -0.603 1.00 0.00 C ATOM 1587 C ASN A 398 4.898 6.281 -1.547 1.00 0.00 C ATOM 1588 O ASN A 398 3.704 6.444 -1.383 1.00 0.00 O ATOM 1589 CB ASN A 398 5.345 7.057 0.811 1.00 0.00 C ATOM 1590 CG ASN A 398 4.201 8.083 0.824 1.00 0.00 C ATOM 1591 OD1 ASN A 398 3.830 8.615 -0.204 1.00 0.00 O ATOM 1592 ND2 ASN A 398 3.630 8.389 1.957 1.00 0.00 N ATOM 0 HA ASN A 398 6.805 6.268 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 398 4.978 6.090 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 398 6.126 7.367 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 398 2.874 9.073 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 398 3.940 7.944 2.821 1.00 0.00 H new ATOM 1599 N TRP A 399 5.361 5.546 -2.528 1.00 0.00 N ATOM 1600 CA TRP A 399 4.428 4.883 -3.488 1.00 0.00 C ATOM 1601 C TRP A 399 4.704 3.375 -3.523 1.00 0.00 C ATOM 1602 O TRP A 399 5.238 2.855 -4.483 1.00 0.00 O ATOM 1603 CB TRP A 399 4.742 5.520 -4.846 1.00 0.00 C ATOM 1604 CG TRP A 399 3.746 6.598 -5.149 1.00 0.00 C ATOM 1605 CD1 TRP A 399 3.342 7.553 -4.278 1.00 0.00 C ATOM 1606 CD2 TRP A 399 3.030 6.849 -6.392 1.00 0.00 C ATOM 1607 NE1 TRP A 399 2.420 8.370 -4.909 1.00 0.00 N ATOM 1608 CE2 TRP A 399 2.194 7.976 -6.213 1.00 0.00 C ATOM 1609 CE3 TRP A 399 3.022 6.211 -7.646 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 1.381 8.455 -7.240 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 2.204 6.690 -8.683 1.00 0.00 C ATOM 1612 CH2 TRP A 399 1.385 7.810 -8.480 1.00 0.00 C ATOM 0 H TRP A 399 6.351 5.377 -2.705 1.00 0.00 H new ATOM 0 HA TRP A 399 3.381 5.011 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 399 5.749 5.936 -4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 399 4.717 4.761 -5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 399 3.683 7.660 -3.259 1.00 0.00 H new ATOM 0 HE1 TRP A 399 1.963 9.166 -4.465 1.00 0.00 H new ATOM 0 HE3 TRP A 399 3.649 5.347 -7.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 0.753 9.318 -7.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 2.206 6.193 -9.642 1.00 0.00 H new ATOM 0 HH2 TRP A 399 0.758 8.174 -9.281 1.00 0.00 H new ATOM 1623 N GLY A 400 4.352 2.675 -2.473 1.00 0.00 N ATOM 1624 CA GLY A 400 4.590 1.203 -2.429 1.00 0.00 C ATOM 1625 C GLY A 400 3.717 0.569 -1.342 1.00 0.00 C ATOM 1626 O GLY A 400 3.388 1.199 -0.355 1.00 0.00 O ATOM 0 H GLY A 400 3.908 3.064 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 400 4.360 0.759 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 400 5.642 1.001 -2.227 1.00 0.00 H new ATOM 1630 N ASN A 401 3.353 -0.678 -1.510 1.00 0.00 N ATOM 1631 CA ASN A 401 2.516 -1.370 -0.483 1.00 0.00 C ATOM 1632 C ASN A 401 2.643 -2.887 -0.648 1.00 0.00 C ATOM 1633 O ASN A 401 2.732 -3.391 -1.751 1.00 0.00 O ATOM 1634 CB ASN A 401 1.077 -0.904 -0.740 1.00 0.00 C ATOM 1635 CG ASN A 401 0.644 -1.281 -2.159 1.00 0.00 C ATOM 1636 OD1 ASN A 401 0.555 -0.435 -3.023 1.00 0.00 O ATOM 1637 ND2 ASN A 401 0.358 -2.525 -2.431 1.00 0.00 N ATOM 0 H ASN A 401 3.601 -1.249 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 401 2.828 -1.133 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.404 -1.360 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.007 0.175 -0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.059 -2.786 -3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.433 -3.236 -1.704 1.00 0.00 H new ATOM 1644 N TYR A 402 2.661 -3.619 0.439 1.00 0.00 N ATOM 1645 CA TYR A 402 2.793 -5.103 0.343 1.00 0.00 C ATOM 1646 C TYR A 402 1.427 -5.775 0.502 1.00 0.00 C ATOM 1647 O TYR A 402 0.842 -5.769 1.568 1.00 0.00 O ATOM 1648 CB TYR A 402 3.723 -5.492 1.493 1.00 0.00 C ATOM 1649 CG TYR A 402 5.160 -5.350 1.047 1.00 0.00 C ATOM 1650 CD1 TYR A 402 5.755 -4.083 0.996 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.896 -6.484 0.685 1.00 0.00 C ATOM 1652 CE1 TYR A 402 7.086 -3.951 0.582 1.00 0.00 C ATOM 1653 CE2 TYR A 402 7.226 -6.351 0.270 1.00 0.00 C ATOM 1654 CZ TYR A 402 7.820 -5.085 0.219 1.00 0.00 C ATOM 1655 OH TYR A 402 9.133 -4.955 -0.188 1.00 0.00 O ATOM 0 H TYR A 402 2.590 -3.251 1.388 1.00 0.00 H new ATOM 0 HA TYR A 402 3.185 -5.419 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.535 -4.856 2.358 1.00 0.00 H new ATOM 0 HB3 TYR A 402 3.527 -6.518 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 402 5.187 -3.208 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 402 5.438 -7.461 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 402 7.546 -2.974 0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.794 -7.226 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 402 9.186 -4.305 -0.920 1.00 0.00 H new ATOM 1665 N ASN A 403 0.920 -6.353 -0.557 1.00 0.00 N ATOM 1666 CA ASN A 403 -0.407 -7.033 -0.486 1.00 0.00 C ATOM 1667 C ASN A 403 -0.406 -8.280 -1.376 1.00 0.00 C ATOM 1668 O ASN A 403 -0.726 -8.215 -2.548 1.00 0.00 O ATOM 1669 CB ASN A 403 -1.410 -6.003 -1.007 1.00 0.00 C ATOM 1670 CG ASN A 403 -2.833 -6.497 -0.746 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -3.272 -6.553 0.386 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -3.579 -6.861 -1.753 1.00 0.00 N ATOM 0 H ASN A 403 1.371 -6.383 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 403 -0.651 -7.362 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -1.251 -5.044 -0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -1.260 -5.842 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -4.530 -7.192 -1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -3.211 -6.814 -2.703 1.00 0.00 H new ATOM 1679 N THR A 404 -0.045 -9.411 -0.825 1.00 0.00 N ATOM 1680 CA THR A 404 -0.018 -10.667 -1.632 1.00 0.00 C ATOM 1681 C THR A 404 -0.314 -11.875 -0.740 1.00 0.00 C ATOM 1682 O THR A 404 -0.171 -11.815 0.467 1.00 0.00 O ATOM 1683 CB THR A 404 1.404 -10.748 -2.189 1.00 0.00 C ATOM 1684 OG1 THR A 404 1.803 -9.466 -2.654 1.00 0.00 O ATOM 1685 CG2 THR A 404 1.446 -11.748 -3.345 1.00 0.00 C ATOM 0 H THR A 404 0.233 -9.518 0.151 1.00 0.00 H new ATOM 0 HA THR A 404 -0.767 -10.666 -2.424 1.00 0.00 H new ATOM 0 HB THR A 404 2.083 -11.077 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 404 2.320 -9.011 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 404 2.460 -11.804 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 404 1.141 -12.731 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 404 0.767 -11.422 -4.133 1.00 0.00 H new ATOM 1693 N GLU A 405 -0.726 -12.969 -1.328 1.00 0.00 N ATOM 1694 CA GLU A 405 -1.036 -14.188 -0.523 1.00 0.00 C ATOM 1695 C GLU A 405 0.249 -14.961 -0.206 1.00 0.00 C ATOM 1696 O GLU A 405 0.320 -15.684 0.770 1.00 0.00 O ATOM 1697 CB GLU A 405 -1.960 -15.025 -1.409 1.00 0.00 C ATOM 1698 CG GLU A 405 -2.941 -15.805 -0.530 1.00 0.00 C ATOM 1699 CD GLU A 405 -2.178 -16.857 0.277 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.516 -17.679 -0.334 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -2.269 -16.822 1.493 1.00 0.00 O ATOM 0 H GLU A 405 -0.861 -13.070 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 405 -1.499 -13.941 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -2.506 -14.379 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 405 -1.373 -15.714 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -3.464 -15.124 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -3.698 -16.285 -1.150 1.00 0.00 H new ATOM 1708 N THR A 406 1.262 -14.815 -1.026 1.00 0.00 N ATOM 1709 CA THR A 406 2.543 -15.543 -0.776 1.00 0.00 C ATOM 1710 C THR A 406 3.619 -14.575 -0.268 1.00 0.00 C ATOM 1711 O THR A 406 3.911 -14.529 0.913 1.00 0.00 O ATOM 1712 CB THR A 406 2.935 -16.130 -2.134 1.00 0.00 C ATOM 1713 OG1 THR A 406 2.725 -15.157 -3.147 1.00 0.00 O ATOM 1714 CG2 THR A 406 2.081 -17.365 -2.425 1.00 0.00 C ATOM 0 H THR A 406 1.256 -14.223 -1.857 1.00 0.00 H new ATOM 0 HA THR A 406 2.437 -16.316 -0.015 1.00 0.00 H new ATOM 0 HB THR A 406 3.987 -16.415 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 406 2.977 -15.531 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 406 2.362 -17.782 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 406 2.244 -18.111 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 406 1.028 -17.083 -2.443 1.00 0.00 H new ATOM 1722 N GLN A 407 4.215 -13.804 -1.148 1.00 0.00 N ATOM 1723 CA GLN A 407 5.276 -12.842 -0.716 1.00 0.00 C ATOM 1724 C GLN A 407 5.640 -11.900 -1.868 1.00 0.00 C ATOM 1725 O GLN A 407 6.633 -12.094 -2.547 1.00 0.00 O ATOM 1726 CB GLN A 407 6.476 -13.714 -0.339 1.00 0.00 C ATOM 1727 CG GLN A 407 7.330 -12.987 0.702 1.00 0.00 C ATOM 1728 CD GLN A 407 8.772 -13.492 0.622 1.00 0.00 C ATOM 1729 OE1 GLN A 407 9.103 -14.510 1.198 1.00 0.00 O ATOM 1730 NE2 GLN A 407 9.647 -12.820 -0.072 1.00 0.00 N ATOM 0 H GLN A 407 4.011 -13.801 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 407 4.949 -12.217 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 407 6.134 -14.669 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 407 7.072 -13.933 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 407 7.300 -11.912 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 407 6.928 -13.158 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 407 9.368 -11.966 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 407 10.611 -13.148 -0.132 1.00 0.00 H new ATOM 1739 N LYS A 408 4.845 -10.885 -2.092 1.00 0.00 N ATOM 1740 CA LYS A 408 5.142 -9.926 -3.200 1.00 0.00 C ATOM 1741 C LYS A 408 4.703 -8.513 -2.808 1.00 0.00 C ATOM 1742 O LYS A 408 3.893 -8.330 -1.918 1.00 0.00 O ATOM 1743 CB LYS A 408 4.323 -10.431 -4.389 1.00 0.00 C ATOM 1744 CG LYS A 408 4.800 -9.739 -5.667 1.00 0.00 C ATOM 1745 CD LYS A 408 4.639 -10.693 -6.854 1.00 0.00 C ATOM 1746 CE LYS A 408 4.460 -9.883 -8.140 1.00 0.00 C ATOM 1747 NZ LYS A 408 3.681 -10.771 -9.047 1.00 0.00 N ATOM 0 H LYS A 408 4.002 -10.678 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 408 6.206 -9.875 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 408 4.431 -11.511 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 408 3.264 -10.229 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 408 4.224 -8.829 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.844 -9.442 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.514 -11.338 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 408 3.778 -11.342 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 408 3.929 -8.950 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.423 -9.618 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 3.993 -10.625 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 3.836 -11.764 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 2.669 -10.545 -8.969 1.00 0.00 H new ATOM 1761 N CYS A 409 5.231 -7.514 -3.470 1.00 0.00 N ATOM 1762 CA CYS A 409 4.850 -6.107 -3.145 1.00 0.00 C ATOM 1763 C CYS A 409 4.047 -5.501 -4.300 1.00 0.00 C ATOM 1764 O CYS A 409 4.086 -5.988 -5.413 1.00 0.00 O ATOM 1765 CB CYS A 409 6.178 -5.369 -2.965 1.00 0.00 C ATOM 1766 SG CYS A 409 5.858 -3.670 -2.428 1.00 0.00 S ATOM 0 H CYS A 409 5.911 -7.614 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 409 4.225 -6.040 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.795 -5.884 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 409 6.735 -5.367 -3.902 1.00 0.00 H new ATOM 1771 N GLU A 410 3.318 -4.445 -4.039 1.00 0.00 N ATOM 1772 CA GLU A 410 2.506 -3.803 -5.116 1.00 0.00 C ATOM 1773 C GLU A 410 2.427 -2.290 -4.893 1.00 0.00 C ATOM 1774 O GLU A 410 2.766 -1.791 -3.835 1.00 0.00 O ATOM 1775 CB GLU A 410 1.118 -4.433 -4.991 1.00 0.00 C ATOM 1776 CG GLU A 410 0.995 -5.604 -5.969 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.109 -6.552 -5.493 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.116 -6.062 -5.010 1.00 0.00 O ATOM 1779 OE2 GLU A 410 0.073 -7.752 -5.621 1.00 0.00 O ATOM 0 H GLU A 410 3.251 -3.999 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 410 2.939 -3.955 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.956 -4.780 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.350 -3.689 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.766 -5.235 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 410 1.943 -6.137 -6.036 1.00 0.00 H new ATOM 1786 N ILE A 411 1.978 -1.559 -5.882 1.00 0.00 N ATOM 1787 CA ILE A 411 1.866 -0.077 -5.738 1.00 0.00 C ATOM 1788 C ILE A 411 0.577 0.415 -6.408 1.00 0.00 C ATOM 1789 O ILE A 411 0.157 -0.103 -7.425 1.00 0.00 O ATOM 1790 CB ILE A 411 3.128 0.481 -6.426 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.265 1.997 -6.150 1.00 0.00 C ATOM 1792 CG2 ILE A 411 3.096 0.206 -7.933 1.00 0.00 C ATOM 1793 CD1 ILE A 411 2.204 2.822 -6.902 1.00 0.00 C ATOM 0 H ILE A 411 1.683 -1.927 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 411 1.810 0.251 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 411 3.998 -0.027 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 411 3.173 2.180 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.260 2.330 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 411 3.997 0.609 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.049 -0.869 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 411 2.219 0.682 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 411 2.340 3.880 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 411 2.312 2.662 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 411 1.209 2.509 -6.587 1.00 0.00 H new ATOM 1805 N PHE A 412 -0.049 1.416 -5.840 1.00 0.00 N ATOM 1806 CA PHE A 412 -1.311 1.958 -6.432 1.00 0.00 C ATOM 1807 C PHE A 412 -1.711 3.254 -5.720 1.00 0.00 C ATOM 1808 O PHE A 412 -1.112 3.640 -4.735 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.364 0.871 -6.202 1.00 0.00 C ATOM 1810 CG PHE A 412 -3.560 1.127 -7.092 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.385 1.312 -8.469 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -4.845 1.177 -6.537 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -4.493 1.550 -9.291 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -5.953 1.415 -7.359 1.00 0.00 C ATOM 1815 CZ PHE A 412 -5.776 1.601 -8.736 1.00 0.00 C ATOM 0 H PHE A 412 0.261 1.883 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 412 -1.201 2.195 -7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -1.941 -0.110 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.671 0.863 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -2.394 1.271 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.981 1.032 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.357 1.694 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -6.944 1.455 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 412 -6.631 1.784 -9.370 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.720 3.926 -6.214 1.00 0.00 N ATOM 1826 CA ASN A 413 -3.167 5.202 -5.570 1.00 0.00 C ATOM 1827 C ASN A 413 -3.597 4.944 -4.122 1.00 0.00 C ATOM 1828 O ASN A 413 -3.792 3.814 -3.716 1.00 0.00 O ATOM 1829 CB ASN A 413 -4.360 5.677 -6.404 1.00 0.00 C ATOM 1830 CG ASN A 413 -3.870 6.629 -7.498 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -2.787 6.464 -8.023 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -4.629 7.623 -7.869 1.00 0.00 N ATOM 0 H ASN A 413 -3.255 3.647 -7.036 1.00 0.00 H new ATOM 0 HA ASN A 413 -2.370 5.945 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -4.868 4.823 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -5.086 6.181 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -4.313 8.261 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -5.538 7.762 -7.429 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.744 5.987 -3.345 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.159 5.814 -1.918 1.00 0.00 C ATOM 1841 C VAL A 414 -5.530 5.131 -1.841 1.00 0.00 C ATOM 1842 O VAL A 414 -6.300 5.159 -2.783 1.00 0.00 O ATOM 1843 CB VAL A 414 -4.225 7.232 -1.334 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -2.841 7.878 -1.409 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -5.227 8.082 -2.129 1.00 0.00 C ATOM 0 H VAL A 414 -3.594 6.953 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.461 5.186 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.549 7.175 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.887 8.885 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.130 7.282 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -2.519 7.928 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -5.267 9.086 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.911 8.138 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -6.215 7.626 -2.074 1.00 0.00 H new ATOM 1855 N LYS A 415 -5.834 4.520 -0.725 1.00 0.00 N ATOM 1856 CA LYS A 415 -7.153 3.829 -0.574 1.00 0.00 C ATOM 1857 C LYS A 415 -8.306 4.839 -0.726 1.00 0.00 C ATOM 1858 O LYS A 415 -8.478 5.692 0.122 1.00 0.00 O ATOM 1859 CB LYS A 415 -7.141 3.250 0.843 1.00 0.00 C ATOM 1860 CG LYS A 415 -8.186 2.138 0.950 1.00 0.00 C ATOM 1861 CD LYS A 415 -8.279 1.664 2.401 1.00 0.00 C ATOM 1862 CE LYS A 415 -9.262 2.552 3.168 1.00 0.00 C ATOM 1863 NZ LYS A 415 -8.765 2.551 4.572 1.00 0.00 N ATOM 0 H LYS A 415 -5.225 4.469 0.091 1.00 0.00 H new ATOM 0 HA LYS A 415 -7.300 3.058 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -6.152 2.857 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -7.354 4.034 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -9.156 2.502 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -7.915 1.305 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -8.608 0.626 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -7.296 1.702 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -9.285 3.562 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -10.277 2.160 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -9.388 3.140 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -8.761 1.578 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -7.799 2.935 4.599 1.00 0.00 H new ATOM 1877 N PRO A 416 -9.068 4.721 -1.797 1.00 0.00 N ATOM 1878 CA PRO A 416 -10.199 5.655 -2.011 1.00 0.00 C ATOM 1879 C PRO A 416 -11.375 5.310 -1.082 1.00 0.00 C ATOM 1880 O PRO A 416 -11.546 5.922 -0.045 1.00 0.00 O ATOM 1881 CB PRO A 416 -10.559 5.459 -3.484 1.00 0.00 C ATOM 1882 CG PRO A 416 -10.072 4.089 -3.841 1.00 0.00 C ATOM 1883 CD PRO A 416 -8.958 3.734 -2.887 1.00 0.00 C ATOM 0 HA PRO A 416 -9.949 6.691 -1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -11.634 5.545 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -10.085 6.218 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -10.883 3.364 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -9.715 4.066 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -9.067 2.716 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -7.985 3.791 -3.376 1.00 0.00 H new ATOM 1891 N THR A 417 -12.181 4.340 -1.440 1.00 0.00 N ATOM 1892 CA THR A 417 -13.338 3.962 -0.573 1.00 0.00 C ATOM 1893 C THR A 417 -13.406 2.439 -0.414 1.00 0.00 C ATOM 1894 O THR A 417 -14.460 1.877 -0.186 1.00 0.00 O ATOM 1895 CB THR A 417 -14.574 4.479 -1.310 1.00 0.00 C ATOM 1896 OG1 THR A 417 -14.441 4.213 -2.700 1.00 0.00 O ATOM 1897 CG2 THR A 417 -14.709 5.986 -1.088 1.00 0.00 C ATOM 0 H THR A 417 -12.086 3.794 -2.296 1.00 0.00 H new ATOM 0 HA THR A 417 -13.256 4.383 0.429 1.00 0.00 H new ATOM 0 HB THR A 417 -15.462 3.977 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 417 -15.233 4.542 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 417 -15.590 6.354 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.811 6.189 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 417 -13.822 6.491 -1.470 1.00 0.00 H new ATOM 1905 N CYS A 418 -12.285 1.772 -0.529 1.00 0.00 N ATOM 1906 CA CYS A 418 -12.269 0.286 -0.384 1.00 0.00 C ATOM 1907 C CYS A 418 -10.850 -0.192 -0.068 1.00 0.00 C ATOM 1908 O CYS A 418 -9.880 0.458 -0.410 1.00 0.00 O ATOM 1909 CB CYS A 418 -12.729 -0.253 -1.742 1.00 0.00 C ATOM 1910 SG CYS A 418 -14.490 -0.676 -1.673 1.00 0.00 S ATOM 0 H CYS A 418 -11.377 2.196 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.911 -0.059 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -12.555 0.493 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -12.145 -1.133 -2.011 1.00 0.00 H new ATOM 1915 N LEU A 419 -10.725 -1.319 0.583 1.00 0.00 N ATOM 1916 CA LEU A 419 -9.369 -1.843 0.928 1.00 0.00 C ATOM 1917 C LEU A 419 -8.739 -2.529 -0.290 1.00 0.00 C ATOM 1918 O LEU A 419 -9.276 -3.483 -0.821 1.00 0.00 O ATOM 1919 CB LEU A 419 -9.603 -2.847 2.064 1.00 0.00 C ATOM 1920 CG LEU A 419 -10.521 -3.987 1.586 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -9.700 -5.269 1.402 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -11.622 -4.232 2.624 1.00 0.00 C ATOM 0 H LEU A 419 -11.504 -1.900 0.891 1.00 0.00 H new ATOM 0 HA LEU A 419 -8.684 -1.050 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -8.650 -3.255 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -10.053 -2.342 2.919 1.00 0.00 H new ATOM 0 HG LEU A 419 -10.974 -3.707 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -10.353 -6.074 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -8.920 -5.098 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -9.243 -5.548 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -12.270 -5.039 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -11.169 -4.508 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -12.210 -3.323 2.752 1.00 0.00 H new ATOM 1934 N ILE A 420 -7.607 -2.046 -0.732 1.00 0.00 N ATOM 1935 CA ILE A 420 -6.934 -2.660 -1.916 1.00 0.00 C ATOM 1936 C ILE A 420 -5.586 -3.259 -1.499 1.00 0.00 C ATOM 1937 O ILE A 420 -5.185 -4.299 -1.985 1.00 0.00 O ATOM 1938 CB ILE A 420 -6.733 -1.505 -2.905 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -8.094 -0.916 -3.293 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -6.031 -2.017 -4.166 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -7.930 0.566 -3.634 1.00 0.00 C ATOM 0 H ILE A 420 -7.118 -1.250 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 420 -7.519 -3.468 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.121 -0.737 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -8.504 -1.454 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -8.801 -1.035 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -5.891 -1.192 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -5.060 -2.434 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.641 -2.789 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -8.898 0.985 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.538 1.098 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -7.237 0.673 -4.469 1.00 0.00 H new ATOM 1953 N ASN A 421 -4.889 -2.607 -0.603 1.00 0.00 N ATOM 1954 CA ASN A 421 -3.566 -3.130 -0.149 1.00 0.00 C ATOM 1955 C ASN A 421 -3.618 -3.488 1.341 1.00 0.00 C ATOM 1956 O ASN A 421 -4.583 -3.201 2.023 1.00 0.00 O ATOM 1957 CB ASN A 421 -2.573 -1.989 -0.400 1.00 0.00 C ATOM 1958 CG ASN A 421 -3.005 -0.737 0.373 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -2.961 -0.715 1.587 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -3.420 0.311 -0.284 1.00 0.00 N ATOM 0 H ASN A 421 -5.181 -1.733 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 421 -3.279 -4.037 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.573 -2.291 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.522 -1.768 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -3.708 1.149 0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -3.457 0.292 -1.303 1.00 0.00 H new ATOM 1967 N ASN A 422 -2.583 -4.112 1.843 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.559 -4.494 3.288 1.00 0.00 C ATOM 1969 C ASN A 422 -1.511 -3.665 4.034 1.00 0.00 C ATOM 1970 O ASN A 422 -1.824 -2.947 4.966 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.180 -5.975 3.300 1.00 0.00 C ATOM 1972 CG ASN A 422 -3.450 -6.827 3.307 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -4.425 -6.480 3.944 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -3.481 -7.938 2.622 1.00 0.00 N ATOM 0 H ASN A 422 -1.752 -4.374 1.314 1.00 0.00 H new ATOM 0 HA ASN A 422 -3.515 -4.315 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -1.574 -6.213 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.574 -6.199 4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -4.323 -8.514 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.663 -8.230 2.087 1.00 0.00 H new ATOM 1981 N SER A 423 -0.269 -3.760 3.629 1.00 0.00 N ATOM 1982 CA SER A 423 0.809 -2.979 4.310 1.00 0.00 C ATOM 1983 C SER A 423 1.349 -1.905 3.362 1.00 0.00 C ATOM 1984 O SER A 423 2.242 -2.156 2.574 1.00 0.00 O ATOM 1985 CB SER A 423 1.916 -3.986 4.652 1.00 0.00 C ATOM 1986 OG SER A 423 1.382 -5.304 4.717 1.00 0.00 O ATOM 0 H SER A 423 0.045 -4.346 2.855 1.00 0.00 H new ATOM 0 HA SER A 423 0.438 -2.478 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 423 2.703 -3.942 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 423 2.373 -3.724 5.606 1.00 0.00 H new ATOM 0 HG SER A 423 2.098 -5.937 4.934 1.00 0.00 H new ATOM 1992 N SER A 424 0.810 -0.716 3.431 1.00 0.00 N ATOM 1993 CA SER A 424 1.285 0.378 2.531 1.00 0.00 C ATOM 1994 C SER A 424 2.545 1.030 3.106 1.00 0.00 C ATOM 1995 O SER A 424 2.779 1.003 4.300 1.00 0.00 O ATOM 1996 CB SER A 424 0.133 1.381 2.481 1.00 0.00 C ATOM 1997 OG SER A 424 -0.278 1.690 3.805 1.00 0.00 O ATOM 0 H SER A 424 0.061 -0.454 4.072 1.00 0.00 H new ATOM 0 HA SER A 424 1.546 0.011 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 424 0.447 2.288 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 424 -0.702 0.966 1.916 1.00 0.00 H new ATOM 0 HG SER A 424 -1.111 2.205 3.777 1.00 0.00 H new ATOM 2003 N TYR A 425 3.357 1.610 2.260 1.00 0.00 N ATOM 2004 CA TYR A 425 4.610 2.264 2.741 1.00 0.00 C ATOM 2005 C TYR A 425 4.388 3.769 2.923 1.00 0.00 C ATOM 2006 O TYR A 425 5.288 4.562 2.724 1.00 0.00 O ATOM 2007 CB TYR A 425 5.636 2.006 1.637 1.00 0.00 C ATOM 2008 CG TYR A 425 7.006 2.434 2.106 1.00 0.00 C ATOM 2009 CD1 TYR A 425 7.693 1.663 3.053 1.00 0.00 C ATOM 2010 CD2 TYR A 425 7.592 3.599 1.595 1.00 0.00 C ATOM 2011 CE1 TYR A 425 8.964 2.058 3.489 1.00 0.00 C ATOM 2012 CE2 TYR A 425 8.863 3.993 2.031 1.00 0.00 C ATOM 2013 CZ TYR A 425 9.548 3.222 2.977 1.00 0.00 C ATOM 2014 OH TYR A 425 10.801 3.610 3.406 1.00 0.00 O ATOM 0 H TYR A 425 3.205 1.659 1.253 1.00 0.00 H new ATOM 0 HA TYR A 425 4.936 1.873 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 425 5.645 0.948 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 425 5.361 2.555 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 425 7.242 0.764 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 425 7.063 4.194 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 425 9.493 1.465 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 425 9.315 4.892 1.637 1.00 0.00 H new ATOM 0 HH TYR A 425 11.060 4.439 2.951 1.00 0.00 H new ATOM 2024 N ILE A 426 3.198 4.164 3.301 1.00 0.00 N ATOM 2025 CA ILE A 426 2.917 5.620 3.498 1.00 0.00 C ATOM 2026 C ILE A 426 3.778 6.168 4.642 1.00 0.00 C ATOM 2027 O ILE A 426 3.349 6.233 5.778 1.00 0.00 O ATOM 2028 CB ILE A 426 1.425 5.705 3.842 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.602 5.162 2.668 1.00 0.00 C ATOM 2030 CG2 ILE A 426 1.032 7.164 4.098 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -0.875 5.100 3.062 1.00 0.00 C ATOM 0 H ILE A 426 2.410 3.542 3.482 1.00 0.00 H new ATOM 0 HA ILE A 426 3.153 6.211 2.613 1.00 0.00 H new ATOM 0 HB ILE A 426 1.230 5.115 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.729 5.802 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.957 4.169 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 426 -0.029 7.218 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 426 1.616 7.557 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 426 1.229 7.756 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.459 4.714 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -0.995 4.442 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.226 6.100 3.318 1.00 0.00 H new ATOM 2043 N ALA A 427 4.991 6.562 4.342 1.00 0.00 N ATOM 2044 CA ALA A 427 5.893 7.109 5.398 1.00 0.00 C ATOM 2045 C ALA A 427 7.103 7.789 4.754 1.00 0.00 C ATOM 2046 O ALA A 427 8.172 7.215 4.665 1.00 0.00 O ATOM 2047 CB ALA A 427 6.331 5.892 6.214 1.00 0.00 C ATOM 0 H ALA A 427 5.395 6.527 3.406 1.00 0.00 H new ATOM 0 HA ALA A 427 5.400 7.858 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 427 6.999 6.211 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 427 5.454 5.408 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 427 6.852 5.188 5.566 1.00 0.00 H new