USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 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 Single : A 325 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 327 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.6!) USER MOD Single : A 338 ASN : amide:sc= -0.64 K(o=-0.64,f=-0.062) USER MOD Single : A 339 LYS NZ :NH3+ -130:sc=-0.000528 (180deg=-0.248) USER MOD Single : A 398 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= -0.0551 K(o=-0.055,f=-2.4!) USER MOD Single : A 402 TYR OH : rot 150:sc= 0 USER MOD Single : A 403 ASN : amide:sc= 0.337 K(o=0.34,f=-5.7!) USER MOD Single : A 404 THR OG1 : rot 52:sc= 0.49 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 407 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : A 415 LYS NZ :NH3+ -156:sc= 0.264 (180deg=0.0647) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 421 ASN : amide:sc= -4.99! C(o=-5!,f=-5.1!) USER MOD Single : A 422 ASN : amide:sc= -0.426 K(o=-0.43,f=-3.4!) USER MOD Single : A 423 SER OG : rot 88:sc= 1.15 USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -16.613 -1.918 0.210 1.00 0.00 N ATOM 348 CA CYS A 320 -16.075 -1.240 -1.004 1.00 0.00 C ATOM 349 C CYS A 320 -15.891 -2.259 -2.134 1.00 0.00 C ATOM 350 O CYS A 320 -15.261 -3.281 -1.950 1.00 0.00 O ATOM 351 CB CYS A 320 -14.722 -0.687 -0.558 1.00 0.00 C ATOM 352 SG CYS A 320 -14.971 0.809 0.428 1.00 0.00 S ATOM 0 HA CYS A 320 -16.737 -0.462 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -14.187 -1.435 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -14.105 -0.462 -1.428 1.00 0.00 H new ATOM 357 N GLU A 321 -16.437 -1.993 -3.297 1.00 0.00 N ATOM 358 CA GLU A 321 -16.290 -2.956 -4.432 1.00 0.00 C ATOM 359 C GLU A 321 -15.837 -2.234 -5.708 1.00 0.00 C ATOM 360 O GLU A 321 -16.649 -1.808 -6.503 1.00 0.00 O ATOM 361 CB GLU A 321 -17.685 -3.552 -4.623 1.00 0.00 C ATOM 362 CG GLU A 321 -18.043 -4.409 -3.407 1.00 0.00 C ATOM 363 CD GLU A 321 -19.530 -4.763 -3.451 1.00 0.00 C ATOM 364 OE1 GLU A 321 -19.996 -5.145 -4.513 1.00 0.00 O ATOM 365 OE2 GLU A 321 -20.178 -4.648 -2.425 1.00 0.00 O ATOM 0 H GLU A 321 -16.976 -1.153 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 321 -15.538 -3.717 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -18.418 -2.756 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -17.713 -4.157 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -17.442 -5.318 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -17.814 -3.869 -2.488 1.00 0.00 H new ATOM 372 N ASP A 322 -14.547 -2.111 -5.908 1.00 0.00 N ATOM 373 CA ASP A 322 -14.013 -1.427 -7.132 1.00 0.00 C ATOM 374 C ASP A 322 -12.488 -1.594 -7.178 1.00 0.00 C ATOM 375 O ASP A 322 -11.818 -1.400 -6.184 1.00 0.00 O ATOM 376 CB ASP A 322 -14.385 0.055 -6.964 1.00 0.00 C ATOM 377 CG ASP A 322 -15.672 0.389 -7.737 1.00 0.00 C ATOM 378 OD1 ASP A 322 -16.123 -0.440 -8.512 1.00 0.00 O ATOM 379 OD2 ASP A 322 -16.186 1.477 -7.537 1.00 0.00 O ATOM 0 H ASP A 322 -13.832 -2.459 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 322 -14.421 -1.839 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.522 0.282 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -13.568 0.682 -7.322 1.00 0.00 H new ATOM 384 N ILE A 323 -11.930 -1.972 -8.307 1.00 0.00 N ATOM 385 CA ILE A 323 -10.441 -2.170 -8.377 1.00 0.00 C ATOM 386 C ILE A 323 -9.881 -1.730 -9.753 1.00 0.00 C ATOM 387 O ILE A 323 -10.266 -2.276 -10.768 1.00 0.00 O ATOM 388 CB ILE A 323 -10.255 -3.685 -8.164 1.00 0.00 C ATOM 389 CG1 ILE A 323 -10.555 -4.045 -6.698 1.00 0.00 C ATOM 390 CG2 ILE A 323 -8.816 -4.116 -8.500 1.00 0.00 C ATOM 391 CD1 ILE A 323 -9.591 -3.306 -5.756 1.00 0.00 C ATOM 0 H ILE A 323 -12.434 -2.151 -9.175 1.00 0.00 H new ATOM 0 HA ILE A 323 -9.907 -1.573 -7.637 1.00 0.00 H new ATOM 0 HB ILE A 323 -10.944 -4.207 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -11.584 -3.781 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -10.460 -5.121 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -8.711 -5.189 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -8.600 -3.880 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -8.117 -3.584 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -9.817 -3.572 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -8.565 -3.591 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -9.707 -2.230 -5.888 1.00 0.00 H new ATOM 403 N PRO A 324 -8.962 -0.777 -9.743 1.00 0.00 N ATOM 404 CA PRO A 324 -8.342 -0.309 -11.005 1.00 0.00 C ATOM 405 C PRO A 324 -7.134 -1.187 -11.349 1.00 0.00 C ATOM 406 O PRO A 324 -6.956 -2.254 -10.791 1.00 0.00 O ATOM 407 CB PRO A 324 -7.885 1.106 -10.670 1.00 0.00 C ATOM 408 CG PRO A 324 -7.682 1.126 -9.183 1.00 0.00 C ATOM 409 CD PRO A 324 -8.425 -0.046 -8.586 1.00 0.00 C ATOM 0 HA PRO A 324 -9.018 -0.349 -11.859 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.962 1.354 -11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.631 1.841 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -6.620 1.064 -8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -8.049 2.062 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -7.761 -0.675 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.223 0.288 -7.923 1.00 0.00 H new ATOM 417 N HIS A 325 -6.301 -0.739 -12.253 1.00 0.00 N ATOM 418 CA HIS A 325 -5.094 -1.535 -12.626 1.00 0.00 C ATOM 419 C HIS A 325 -3.874 -1.012 -11.863 1.00 0.00 C ATOM 420 O HIS A 325 -3.173 -0.130 -12.325 1.00 0.00 O ATOM 421 CB HIS A 325 -4.923 -1.320 -14.130 1.00 0.00 C ATOM 422 CG HIS A 325 -4.031 -2.393 -14.693 1.00 0.00 C ATOM 423 ND1 HIS A 325 -4.533 -3.490 -15.373 1.00 0.00 N ATOM 424 CD2 HIS A 325 -2.666 -2.549 -14.683 1.00 0.00 C ATOM 425 CE1 HIS A 325 -3.488 -4.252 -15.743 1.00 0.00 C ATOM 426 NE2 HIS A 325 -2.326 -3.724 -15.347 1.00 0.00 N ATOM 0 H HIS A 325 -6.405 0.146 -12.750 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.198 -2.592 -12.381 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -5.894 -1.344 -14.624 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -4.492 -0.337 -14.321 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -1.964 -1.865 -14.229 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -3.577 -5.177 -16.293 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -1.391 -4.101 -15.499 1.00 0.00 H new ATOM 434 N VAL A 326 -3.622 -1.544 -10.694 1.00 0.00 N ATOM 435 CA VAL A 326 -2.452 -1.080 -9.886 1.00 0.00 C ATOM 436 C VAL A 326 -1.160 -1.723 -10.398 1.00 0.00 C ATOM 437 O VAL A 326 -1.187 -2.731 -11.079 1.00 0.00 O ATOM 438 CB VAL A 326 -2.749 -1.519 -8.446 1.00 0.00 C ATOM 439 CG1 VAL A 326 -4.035 -0.847 -7.962 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.919 -3.043 -8.379 1.00 0.00 C ATOM 0 H VAL A 326 -4.178 -2.282 -10.262 1.00 0.00 H new ATOM 0 HA VAL A 326 -2.312 -0.001 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.915 -1.225 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -4.246 -1.159 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.914 0.236 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.863 -1.138 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -3.129 -3.341 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.746 -3.345 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -2.002 -3.527 -8.717 1.00 0.00 H new ATOM 450 N ASN A 327 -0.030 -1.145 -10.073 1.00 0.00 N ATOM 451 CA ASN A 327 1.270 -1.718 -10.537 1.00 0.00 C ATOM 452 C ASN A 327 1.787 -2.731 -9.513 1.00 0.00 C ATOM 453 O ASN A 327 1.864 -2.447 -8.332 1.00 0.00 O ATOM 454 CB ASN A 327 2.217 -0.521 -10.637 1.00 0.00 C ATOM 455 CG ASN A 327 1.895 0.280 -11.900 1.00 0.00 C ATOM 456 OD1 ASN A 327 0.756 0.344 -12.319 1.00 0.00 O ATOM 457 ND2 ASN A 327 2.857 0.896 -12.531 1.00 0.00 N ATOM 0 H ASN A 327 0.048 -0.301 -9.506 1.00 0.00 H new ATOM 0 HA ASN A 327 1.179 -2.242 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.114 0.112 -9.756 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.251 -0.863 -10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 327 2.653 1.431 -13.375 1.00 0.00 H new ATOM 0 HD22 ASN A 327 3.813 0.843 -12.180 1.00 0.00 H new ATOM 464 N GLU A 328 2.132 -3.914 -9.957 1.00 0.00 N ATOM 465 CA GLU A 328 2.636 -4.955 -9.012 1.00 0.00 C ATOM 466 C GLU A 328 4.147 -5.152 -9.177 1.00 0.00 C ATOM 467 O GLU A 328 4.685 -5.030 -10.261 1.00 0.00 O ATOM 468 CB GLU A 328 1.877 -6.237 -9.375 1.00 0.00 C ATOM 469 CG GLU A 328 2.141 -6.612 -10.837 1.00 0.00 C ATOM 470 CD GLU A 328 1.729 -8.066 -11.072 1.00 0.00 C ATOM 471 OE1 GLU A 328 0.539 -8.320 -11.145 1.00 0.00 O ATOM 472 OE2 GLU A 328 2.614 -8.902 -11.174 1.00 0.00 O ATOM 0 H GLU A 328 2.086 -4.203 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 328 2.473 -4.670 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.190 -7.051 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 328 0.808 -6.093 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.581 -5.952 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 328 3.197 -6.479 -11.073 1.00 0.00 H new ATOM 479 N PHE A 329 4.828 -5.461 -8.103 1.00 0.00 N ATOM 480 CA PHE A 329 6.303 -5.679 -8.175 1.00 0.00 C ATOM 481 C PHE A 329 6.655 -7.072 -7.630 1.00 0.00 C ATOM 482 O PHE A 329 6.863 -7.231 -6.442 1.00 0.00 O ATOM 483 CB PHE A 329 6.910 -4.585 -7.293 1.00 0.00 C ATOM 484 CG PHE A 329 8.355 -4.372 -7.678 1.00 0.00 C ATOM 485 CD1 PHE A 329 8.691 -4.071 -9.003 1.00 0.00 C ATOM 486 CD2 PHE A 329 9.360 -4.477 -6.708 1.00 0.00 C ATOM 487 CE1 PHE A 329 10.030 -3.873 -9.359 1.00 0.00 C ATOM 488 CE2 PHE A 329 10.699 -4.279 -7.063 1.00 0.00 C ATOM 489 CZ PHE A 329 11.034 -3.978 -8.388 1.00 0.00 C ATOM 0 H PHE A 329 4.422 -5.572 -7.174 1.00 0.00 H new ATOM 0 HA PHE A 329 6.681 -5.631 -9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.351 -3.657 -7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 329 6.840 -4.869 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 329 7.916 -3.991 -9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.101 -4.711 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 329 10.289 -3.640 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 329 11.474 -4.358 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 329 12.068 -3.827 -8.662 1.00 0.00 H new ATOM 499 N PRO A 330 6.705 -8.050 -8.512 1.00 0.00 N ATOM 500 CA PRO A 330 7.031 -9.430 -8.093 1.00 0.00 C ATOM 501 C PRO A 330 8.550 -9.673 -8.105 1.00 0.00 C ATOM 502 O PRO A 330 8.996 -10.804 -8.066 1.00 0.00 O ATOM 503 CB PRO A 330 6.352 -10.285 -9.156 1.00 0.00 C ATOM 504 CG PRO A 330 6.251 -9.415 -10.378 1.00 0.00 C ATOM 505 CD PRO A 330 6.459 -7.977 -9.958 1.00 0.00 C ATOM 0 HA PRO A 330 6.701 -9.650 -7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 330 6.932 -11.185 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 330 5.366 -10.610 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 330 6.999 -9.707 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 330 5.276 -9.535 -10.850 1.00 0.00 H new ATOM 0 HD2 PRO A 330 7.303 -7.528 -10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.584 -7.367 -10.182 1.00 0.00 H new ATOM 513 N ALA A 331 9.347 -8.630 -8.161 1.00 0.00 N ATOM 514 CA ALA A 331 10.833 -8.817 -8.180 1.00 0.00 C ATOM 515 C ALA A 331 11.295 -9.555 -6.921 1.00 0.00 C ATOM 516 O ALA A 331 10.515 -9.826 -6.028 1.00 0.00 O ATOM 517 CB ALA A 331 11.421 -7.406 -8.217 1.00 0.00 C ATOM 0 H ALA A 331 9.033 -7.660 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 331 11.155 -9.413 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.509 -7.466 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 331 11.073 -6.890 -9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 331 11.100 -6.855 -7.333 1.00 0.00 H new ATOM 523 N ILE A 332 12.561 -9.875 -6.847 1.00 0.00 N ATOM 524 CA ILE A 332 13.091 -10.594 -5.648 1.00 0.00 C ATOM 525 C ILE A 332 13.932 -9.645 -4.789 1.00 0.00 C ATOM 526 O ILE A 332 14.838 -10.064 -4.091 1.00 0.00 O ATOM 527 CB ILE A 332 13.953 -11.734 -6.205 1.00 0.00 C ATOM 528 CG1 ILE A 332 15.070 -11.165 -7.090 1.00 0.00 C ATOM 529 CG2 ILE A 332 13.079 -12.673 -7.038 1.00 0.00 C ATOM 530 CD1 ILE A 332 16.152 -12.227 -7.292 1.00 0.00 C ATOM 0 H ILE A 332 13.253 -9.669 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 332 12.292 -10.971 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 332 14.397 -12.282 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 332 14.664 -10.857 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 332 15.499 -10.277 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 332 13.691 -13.483 -7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 332 12.290 -13.087 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 332 12.633 -12.118 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 332 16.946 -11.823 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 332 16.566 -12.514 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 332 15.717 -13.102 -7.774 1.00 0.00 H new ATOM 542 N ASP A 333 13.637 -8.370 -4.837 1.00 0.00 N ATOM 543 CA ASP A 333 14.412 -7.383 -4.028 1.00 0.00 C ATOM 544 C ASP A 333 13.639 -7.018 -2.758 1.00 0.00 C ATOM 545 O ASP A 333 12.574 -6.433 -2.818 1.00 0.00 O ATOM 546 CB ASP A 333 14.564 -6.163 -4.935 1.00 0.00 C ATOM 547 CG ASP A 333 15.508 -6.499 -6.091 1.00 0.00 C ATOM 548 OD1 ASP A 333 15.459 -7.624 -6.561 1.00 0.00 O ATOM 549 OD2 ASP A 333 16.263 -5.627 -6.487 1.00 0.00 O ATOM 0 H ASP A 333 12.890 -7.970 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 333 15.377 -7.776 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 333 13.591 -5.862 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 333 14.955 -5.320 -4.365 1.00 0.00 H new ATOM 554 N LEU A 334 14.168 -7.361 -1.611 1.00 0.00 N ATOM 555 CA LEU A 334 13.471 -7.038 -0.330 1.00 0.00 C ATOM 556 C LEU A 334 14.036 -5.748 0.271 1.00 0.00 C ATOM 557 O LEU A 334 14.844 -5.779 1.179 1.00 0.00 O ATOM 558 CB LEU A 334 13.755 -8.228 0.586 1.00 0.00 C ATOM 559 CG LEU A 334 12.651 -9.274 0.423 1.00 0.00 C ATOM 560 CD1 LEU A 334 13.227 -10.670 0.666 1.00 0.00 C ATOM 561 CD2 LEU A 334 11.537 -9.000 1.437 1.00 0.00 C ATOM 0 H LEU A 334 15.056 -7.853 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 334 12.402 -6.879 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 334 14.723 -8.665 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 334 13.807 -7.897 1.623 1.00 0.00 H new ATOM 0 HG LEU A 334 12.247 -9.220 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 334 12.439 -11.414 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 334 14.021 -10.866 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 334 13.632 -10.726 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 334 10.749 -9.745 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 334 11.943 -9.054 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 334 11.124 -8.006 1.265 1.00 0.00 H new ATOM 573 N PHE A 335 13.612 -4.616 -0.232 1.00 0.00 N ATOM 574 CA PHE A 335 14.115 -3.315 0.302 1.00 0.00 C ATOM 575 C PHE A 335 13.058 -2.225 0.105 1.00 0.00 C ATOM 576 O PHE A 335 12.527 -1.684 1.056 1.00 0.00 O ATOM 577 CB PHE A 335 15.366 -3.006 -0.524 1.00 0.00 C ATOM 578 CG PHE A 335 16.414 -2.368 0.357 1.00 0.00 C ATOM 579 CD1 PHE A 335 16.148 -1.149 0.993 1.00 0.00 C ATOM 580 CD2 PHE A 335 17.653 -2.996 0.537 1.00 0.00 C ATOM 581 CE1 PHE A 335 17.120 -0.558 1.808 1.00 0.00 C ATOM 582 CE2 PHE A 335 18.625 -2.404 1.352 1.00 0.00 C ATOM 583 CZ PHE A 335 18.359 -1.186 1.987 1.00 0.00 C ATOM 0 H PHE A 335 12.937 -4.537 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 335 14.333 -3.359 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 335 15.757 -3.923 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 335 15.114 -2.338 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 335 15.193 -0.665 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 335 17.858 -3.936 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 335 16.915 0.382 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 335 19.581 -2.888 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 335 19.109 -0.730 2.616 1.00 0.00 H new ATOM 593 N GLU A 336 12.750 -1.906 -1.126 1.00 0.00 N ATOM 594 CA GLU A 336 11.727 -0.857 -1.405 1.00 0.00 C ATOM 595 C GLU A 336 11.103 -1.095 -2.783 1.00 0.00 C ATOM 596 O GLU A 336 11.752 -0.948 -3.799 1.00 0.00 O ATOM 597 CB GLU A 336 12.494 0.469 -1.384 1.00 0.00 C ATOM 598 CG GLU A 336 12.211 1.212 -0.076 1.00 0.00 C ATOM 599 CD GLU A 336 10.890 1.975 -0.198 1.00 0.00 C ATOM 600 OE1 GLU A 336 9.950 1.411 -0.731 1.00 0.00 O ATOM 601 OE2 GLU A 336 10.843 3.110 0.245 1.00 0.00 O ATOM 0 H GLU A 336 13.167 -2.331 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 336 10.916 -0.864 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.563 0.283 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.198 1.084 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 336 12.160 0.505 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 336 13.024 1.904 0.145 1.00 0.00 H new ATOM 608 N CYS A 337 9.849 -1.467 -2.819 1.00 0.00 N ATOM 609 CA CYS A 337 9.175 -1.723 -4.130 1.00 0.00 C ATOM 610 C CYS A 337 9.194 -0.462 -5.000 1.00 0.00 C ATOM 611 O CYS A 337 9.130 -0.537 -6.213 1.00 0.00 O ATOM 612 CB CYS A 337 7.735 -2.105 -3.775 1.00 0.00 C ATOM 613 SG CYS A 337 7.739 -3.625 -2.792 1.00 0.00 S ATOM 0 H CYS A 337 9.261 -1.605 -1.997 1.00 0.00 H new ATOM 0 HA CYS A 337 9.677 -2.506 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.261 -1.299 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 337 7.151 -2.249 -4.684 1.00 0.00 H new ATOM 618 N ASN A 338 9.277 0.693 -4.389 1.00 0.00 N ATOM 619 CA ASN A 338 9.296 1.963 -5.176 1.00 0.00 C ATOM 620 C ASN A 338 10.738 2.385 -5.478 1.00 0.00 C ATOM 621 O ASN A 338 11.108 3.529 -5.291 1.00 0.00 O ATOM 622 CB ASN A 338 8.613 2.993 -4.277 1.00 0.00 C ATOM 623 CG ASN A 338 7.155 2.589 -4.054 1.00 0.00 C ATOM 624 OD1 ASN A 338 6.813 2.057 -3.016 1.00 0.00 O ATOM 625 ND2 ASN A 338 6.275 2.820 -4.990 1.00 0.00 N ATOM 0 H ASN A 338 9.333 0.811 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 338 8.792 1.859 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 338 9.133 3.059 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 338 8.662 3.981 -4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 338 5.300 2.554 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 338 6.562 3.266 -5.861 1.00 0.00 H new ATOM 632 N LYS A 339 11.549 1.472 -5.948 1.00 0.00 N ATOM 633 CA LYS A 339 12.968 1.816 -6.270 1.00 0.00 C ATOM 634 C LYS A 339 13.110 2.091 -7.770 1.00 0.00 C ATOM 635 O LYS A 339 14.081 1.701 -8.391 1.00 0.00 O ATOM 636 CB LYS A 339 13.782 0.581 -5.867 1.00 0.00 C ATOM 637 CG LYS A 339 14.975 1.005 -5.004 1.00 0.00 C ATOM 638 CD LYS A 339 16.213 1.171 -5.888 1.00 0.00 C ATOM 639 CE LYS A 339 17.428 1.478 -5.010 1.00 0.00 C ATOM 640 NZ LYS A 339 17.843 0.160 -4.452 1.00 0.00 N ATOM 0 H LYS A 339 11.290 0.501 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 339 13.308 2.710 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.152 -0.117 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 339 14.133 0.059 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 339 14.752 1.941 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 339 15.163 0.258 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 339 16.387 0.262 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 339 16.056 1.977 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 339 18.231 1.931 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 339 17.174 2.180 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 17.958 0.240 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 17.115 -0.552 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 18.746 -0.129 -4.879 1.00 0.00 H new ATOM 654 N LEU A 340 12.146 2.756 -8.353 1.00 0.00 N ATOM 655 CA LEU A 340 12.211 3.059 -9.813 1.00 0.00 C ATOM 656 C LEU A 340 12.506 4.544 -10.036 1.00 0.00 C ATOM 657 O LEU A 340 12.211 5.376 -9.199 1.00 0.00 O ATOM 658 CB LEU A 340 10.826 2.700 -10.352 1.00 0.00 C ATOM 659 CG LEU A 340 10.600 1.194 -10.214 1.00 0.00 C ATOM 660 CD1 LEU A 340 9.120 0.923 -9.937 1.00 0.00 C ATOM 661 CD2 LEU A 340 11.012 0.497 -11.513 1.00 0.00 C ATOM 0 H LEU A 340 11.313 3.103 -7.878 1.00 0.00 H new ATOM 0 HA LEU A 340 13.002 2.502 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 340 10.058 3.246 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 340 10.743 2.997 -11.398 1.00 0.00 H new ATOM 0 HG LEU A 340 11.200 0.810 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 340 8.959 -0.151 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 340 8.826 1.420 -9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 340 8.519 1.306 -10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 340 10.852 -0.577 -11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 340 10.412 0.881 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 340 12.066 0.690 -11.711 1.00 0.00 H new ATOM 673 N VAL A 341 13.082 4.879 -11.162 1.00 0.00 N ATOM 674 CA VAL A 341 13.398 6.311 -11.452 1.00 0.00 C ATOM 675 C VAL A 341 12.506 6.833 -12.584 1.00 0.00 C ATOM 676 O VAL A 341 12.877 7.734 -13.313 1.00 0.00 O ATOM 677 CB VAL A 341 14.873 6.324 -11.868 1.00 0.00 C ATOM 678 CG1 VAL A 341 15.732 5.828 -10.703 1.00 0.00 C ATOM 679 CG2 VAL A 341 15.088 5.406 -13.079 1.00 0.00 C ATOM 0 H VAL A 341 13.348 4.221 -11.895 1.00 0.00 H new ATOM 0 HA VAL A 341 13.219 6.954 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 341 15.158 7.342 -12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 341 16.782 5.836 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 341 15.590 6.482 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 341 15.437 4.812 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 341 16.139 5.423 -13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 341 14.799 4.388 -12.819 1.00 0.00 H new ATOM 0 HG23 VAL A 341 14.479 5.755 -13.913 1.00 0.00 H new ATOM 689 N PHE A 342 11.332 6.271 -12.731 1.00 0.00 N ATOM 690 CA PHE A 342 10.403 6.725 -13.812 1.00 0.00 C ATOM 691 C PHE A 342 9.021 6.097 -13.605 1.00 0.00 C ATOM 692 O PHE A 342 8.327 5.778 -14.552 1.00 0.00 O ATOM 693 CB PHE A 342 11.035 6.229 -15.123 1.00 0.00 C ATOM 694 CG PHE A 342 11.409 7.408 -15.992 1.00 0.00 C ATOM 695 CD1 PHE A 342 10.419 8.098 -16.701 1.00 0.00 C ATOM 696 CD2 PHE A 342 12.747 7.809 -16.087 1.00 0.00 C ATOM 697 CE1 PHE A 342 10.767 9.190 -17.505 1.00 0.00 C ATOM 698 CE2 PHE A 342 13.096 8.900 -16.891 1.00 0.00 C ATOM 699 CZ PHE A 342 12.106 9.591 -17.601 1.00 0.00 C ATOM 0 H PHE A 342 10.976 5.515 -12.147 1.00 0.00 H new ATOM 0 HA PHE A 342 10.267 7.807 -13.817 1.00 0.00 H new ATOM 0 HB2 PHE A 342 11.920 5.630 -14.907 1.00 0.00 H new ATOM 0 HB3 PHE A 342 10.335 5.583 -15.653 1.00 0.00 H new ATOM 0 HD1 PHE A 342 9.387 7.788 -16.628 1.00 0.00 H new ATOM 0 HD2 PHE A 342 13.510 7.276 -15.539 1.00 0.00 H new ATOM 0 HE1 PHE A 342 10.003 9.723 -18.051 1.00 0.00 H new ATOM 0 HE2 PHE A 342 14.128 9.209 -16.964 1.00 0.00 H new ATOM 0 HZ PHE A 342 12.375 10.433 -18.222 1.00 0.00 H new ATOM 709 N GLU A 343 8.622 5.917 -12.371 1.00 0.00 N ATOM 710 CA GLU A 343 7.284 5.307 -12.090 1.00 0.00 C ATOM 711 C GLU A 343 6.168 6.157 -12.706 1.00 0.00 C ATOM 712 O GLU A 343 6.421 7.141 -13.374 1.00 0.00 O ATOM 713 CB GLU A 343 7.159 5.276 -10.561 1.00 0.00 C ATOM 714 CG GLU A 343 7.289 6.697 -9.991 1.00 0.00 C ATOM 715 CD GLU A 343 8.644 6.857 -9.294 1.00 0.00 C ATOM 716 OE1 GLU A 343 9.637 6.448 -9.874 1.00 0.00 O ATOM 717 OE2 GLU A 343 8.664 7.384 -8.195 1.00 0.00 O ATOM 0 H GLU A 343 9.165 6.166 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 343 7.195 4.310 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 343 6.198 4.848 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 343 7.932 4.634 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 343 7.194 7.430 -10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 343 6.482 6.890 -9.285 1.00 0.00 H new ATOM 724 N LEU A 344 4.935 5.777 -12.485 1.00 0.00 N ATOM 725 CA LEU A 344 3.789 6.553 -13.056 1.00 0.00 C ATOM 726 C LEU A 344 3.810 8.006 -12.559 1.00 0.00 C ATOM 727 O LEU A 344 3.203 8.877 -13.155 1.00 0.00 O ATOM 728 CB LEU A 344 2.524 5.835 -12.565 1.00 0.00 C ATOM 729 CG LEU A 344 2.502 5.794 -11.026 1.00 0.00 C ATOM 730 CD1 LEU A 344 1.127 6.240 -10.516 1.00 0.00 C ATOM 731 CD2 LEU A 344 2.784 4.365 -10.542 1.00 0.00 C ATOM 0 H LEU A 344 4.671 4.961 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 344 3.837 6.595 -14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 344 1.637 6.350 -12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.494 4.821 -12.964 1.00 0.00 H new ATOM 0 HG LEU A 344 3.268 6.467 -10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 344 1.116 6.210 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 344 0.926 7.257 -10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 344 0.360 5.571 -10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 344 2.768 4.340 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 344 2.021 3.692 -10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 344 3.764 4.047 -10.897 1.00 0.00 H new ATOM 1585 N ASN A 398 7.329 6.838 1.554 1.00 0.00 N ATOM 1586 CA ASN A 398 6.751 5.571 1.014 1.00 0.00 C ATOM 1587 C ASN A 398 5.309 5.800 0.553 1.00 0.00 C ATOM 1588 O ASN A 398 4.643 6.714 1.001 1.00 0.00 O ATOM 1589 CB ASN A 398 6.791 4.586 2.182 1.00 0.00 C ATOM 1590 CG ASN A 398 8.142 3.870 2.200 1.00 0.00 C ATOM 1591 OD1 ASN A 398 8.235 2.712 1.842 1.00 0.00 O ATOM 1592 ND2 ASN A 398 9.203 4.514 2.604 1.00 0.00 N ATOM 0 HA ASN A 398 7.304 5.201 0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 398 6.635 5.114 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 398 5.984 3.860 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 398 10.109 4.046 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 398 9.126 5.486 2.905 1.00 0.00 H new ATOM 1599 N TRP A 399 4.828 4.973 -0.338 1.00 0.00 N ATOM 1600 CA TRP A 399 3.429 5.131 -0.839 1.00 0.00 C ATOM 1601 C TRP A 399 3.013 3.891 -1.637 1.00 0.00 C ATOM 1602 O TRP A 399 2.397 3.993 -2.682 1.00 0.00 O ATOM 1603 CB TRP A 399 3.455 6.377 -1.737 1.00 0.00 C ATOM 1604 CG TRP A 399 4.447 6.196 -2.846 1.00 0.00 C ATOM 1605 CD1 TRP A 399 5.789 6.298 -2.713 1.00 0.00 C ATOM 1606 CD2 TRP A 399 4.198 5.884 -4.248 1.00 0.00 C ATOM 1607 NE1 TRP A 399 6.380 6.067 -3.942 1.00 0.00 N ATOM 1608 CE2 TRP A 399 5.441 5.808 -4.920 1.00 0.00 C ATOM 1609 CE3 TRP A 399 3.026 5.661 -4.994 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 5.518 5.521 -6.284 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 3.101 5.372 -6.366 1.00 0.00 C ATOM 1612 CH2 TRP A 399 4.345 5.302 -7.010 1.00 0.00 C ATOM 0 H TRP A 399 5.345 4.192 -0.742 1.00 0.00 H new ATOM 0 HA TRP A 399 2.710 5.241 -0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 399 2.463 6.556 -2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 399 3.716 7.255 -1.146 1.00 0.00 H new ATOM 0 HD1 TRP A 399 6.314 6.523 -1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 399 7.387 6.086 -4.106 1.00 0.00 H new ATOM 0 HE3 TRP A 399 2.063 5.712 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 6.479 5.469 -6.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 2.195 5.203 -6.929 1.00 0.00 H new ATOM 0 HH2 TRP A 399 4.396 5.079 -8.066 1.00 0.00 H new ATOM 1623 N GLY A 400 3.353 2.723 -1.153 1.00 0.00 N ATOM 1624 CA GLY A 400 2.987 1.472 -1.878 1.00 0.00 C ATOM 1625 C GLY A 400 2.257 0.522 -0.927 1.00 0.00 C ATOM 1626 O GLY A 400 1.832 0.910 0.145 1.00 0.00 O ATOM 0 H GLY A 400 3.870 2.583 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.351 1.707 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.883 0.992 -2.271 1.00 0.00 H new ATOM 1630 N ASN A 401 2.112 -0.719 -1.314 1.00 0.00 N ATOM 1631 CA ASN A 401 1.410 -1.705 -0.441 1.00 0.00 C ATOM 1632 C ASN A 401 2.252 -2.976 -0.298 1.00 0.00 C ATOM 1633 O ASN A 401 2.899 -3.409 -1.234 1.00 0.00 O ATOM 1634 CB ASN A 401 0.102 -2.015 -1.166 1.00 0.00 C ATOM 1635 CG ASN A 401 -0.741 -0.743 -1.274 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -0.760 0.066 -0.368 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -1.442 -0.531 -2.354 1.00 0.00 N ATOM 0 H ASN A 401 2.451 -1.093 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 401 1.240 -1.318 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.311 -2.410 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.451 -2.784 -0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -2.006 0.314 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.426 -1.211 -3.114 1.00 0.00 H new ATOM 1644 N TYR A 402 2.247 -3.576 0.867 1.00 0.00 N ATOM 1645 CA TYR A 402 3.045 -4.820 1.075 1.00 0.00 C ATOM 1646 C TYR A 402 2.178 -5.914 1.706 1.00 0.00 C ATOM 1647 O TYR A 402 1.767 -5.810 2.847 1.00 0.00 O ATOM 1648 CB TYR A 402 4.172 -4.415 2.027 1.00 0.00 C ATOM 1649 CG TYR A 402 5.062 -3.394 1.360 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.647 -2.060 1.265 1.00 0.00 C ATOM 1651 CD2 TYR A 402 6.303 -3.780 0.840 1.00 0.00 C ATOM 1652 CE1 TYR A 402 5.474 -1.112 0.649 1.00 0.00 C ATOM 1653 CE2 TYR A 402 7.129 -2.832 0.224 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.715 -1.499 0.129 1.00 0.00 C ATOM 1655 OH TYR A 402 7.530 -0.565 -0.479 1.00 0.00 O ATOM 0 H TYR A 402 1.724 -3.256 1.682 1.00 0.00 H new ATOM 0 HA TYR A 402 3.427 -5.223 0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.754 -4.002 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.756 -5.292 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.690 -1.762 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 402 6.623 -4.809 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 402 5.154 -0.083 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 402 8.086 -3.130 -0.178 1.00 0.00 H new ATOM 0 HH TYR A 402 8.468 -0.820 -0.356 1.00 0.00 H new ATOM 1665 N ASN A 403 1.907 -6.964 0.973 1.00 0.00 N ATOM 1666 CA ASN A 403 1.077 -8.077 1.526 1.00 0.00 C ATOM 1667 C ASN A 403 1.971 -9.282 1.833 1.00 0.00 C ATOM 1668 O ASN A 403 2.643 -9.798 0.959 1.00 0.00 O ATOM 1669 CB ASN A 403 0.059 -8.417 0.430 1.00 0.00 C ATOM 1670 CG ASN A 403 0.785 -8.814 -0.861 1.00 0.00 C ATOM 1671 OD1 ASN A 403 1.606 -8.073 -1.361 1.00 0.00 O ATOM 1672 ND2 ASN A 403 0.513 -9.961 -1.422 1.00 0.00 N ATOM 0 H ASN A 403 2.225 -7.099 0.013 1.00 0.00 H new ATOM 0 HA ASN A 403 0.578 -7.800 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -0.583 -9.233 0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -0.586 -7.559 0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 403 0.991 -10.235 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -0.177 -10.583 -1.002 1.00 0.00 H new ATOM 1679 N THR A 404 1.995 -9.722 3.066 1.00 0.00 N ATOM 1680 CA THR A 404 2.860 -10.885 3.425 1.00 0.00 C ATOM 1681 C THR A 404 2.094 -12.200 3.251 1.00 0.00 C ATOM 1682 O THR A 404 1.545 -12.739 4.193 1.00 0.00 O ATOM 1683 CB THR A 404 3.220 -10.668 4.896 1.00 0.00 C ATOM 1684 OG1 THR A 404 2.032 -10.464 5.648 1.00 0.00 O ATOM 1685 CG2 THR A 404 4.126 -9.442 5.025 1.00 0.00 C ATOM 0 H THR A 404 1.455 -9.327 3.836 1.00 0.00 H new ATOM 0 HA THR A 404 3.743 -10.950 2.789 1.00 0.00 H new ATOM 0 HB THR A 404 3.744 -11.545 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 404 1.400 -11.190 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 404 4.382 -9.288 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 404 5.037 -9.601 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 404 3.605 -8.563 4.646 1.00 0.00 H new ATOM 1693 N GLU A 405 2.078 -12.725 2.053 1.00 0.00 N ATOM 1694 CA GLU A 405 1.377 -14.017 1.802 1.00 0.00 C ATOM 1695 C GLU A 405 2.373 -15.031 1.237 1.00 0.00 C ATOM 1696 O GLU A 405 2.704 -16.015 1.869 1.00 0.00 O ATOM 1697 CB GLU A 405 0.293 -13.691 0.773 1.00 0.00 C ATOM 1698 CG GLU A 405 -1.031 -13.418 1.490 1.00 0.00 C ATOM 1699 CD GLU A 405 -1.795 -14.732 1.669 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.435 -15.488 2.556 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -2.728 -14.958 0.916 1.00 0.00 O ATOM 0 H GLU A 405 2.523 -12.311 1.234 1.00 0.00 H new ATOM 0 HA GLU A 405 0.950 -14.449 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.586 -12.821 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 405 0.177 -14.522 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -0.843 -12.959 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -1.630 -12.712 0.914 1.00 0.00 H new ATOM 1708 N THR A 406 2.861 -14.777 0.050 1.00 0.00 N ATOM 1709 CA THR A 406 3.852 -15.697 -0.578 1.00 0.00 C ATOM 1710 C THR A 406 5.142 -14.929 -0.888 1.00 0.00 C ATOM 1711 O THR A 406 6.144 -15.077 -0.215 1.00 0.00 O ATOM 1712 CB THR A 406 3.186 -16.183 -1.867 1.00 0.00 C ATOM 1713 OG1 THR A 406 2.826 -15.064 -2.663 1.00 0.00 O ATOM 1714 CG2 THR A 406 1.934 -16.991 -1.521 1.00 0.00 C ATOM 0 H THR A 406 2.612 -13.965 -0.514 1.00 0.00 H new ATOM 0 HA THR A 406 4.121 -16.530 0.071 1.00 0.00 H new ATOM 0 HB THR A 406 3.881 -16.814 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 406 2.401 -15.374 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 406 1.459 -17.337 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 406 2.212 -17.850 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 406 1.237 -16.362 -0.967 1.00 0.00 H new ATOM 1722 N GLN A 407 5.115 -14.102 -1.906 1.00 0.00 N ATOM 1723 CA GLN A 407 6.325 -13.306 -2.280 1.00 0.00 C ATOM 1724 C GLN A 407 5.965 -12.311 -3.389 1.00 0.00 C ATOM 1725 O GLN A 407 6.389 -12.453 -4.523 1.00 0.00 O ATOM 1726 CB GLN A 407 7.343 -14.333 -2.787 1.00 0.00 C ATOM 1727 CG GLN A 407 8.759 -13.792 -2.585 1.00 0.00 C ATOM 1728 CD GLN A 407 9.735 -14.576 -3.464 1.00 0.00 C ATOM 1729 OE1 GLN A 407 10.664 -15.182 -2.970 1.00 0.00 O ATOM 1730 NE2 GLN A 407 9.561 -14.589 -4.758 1.00 0.00 N ATOM 0 H GLN A 407 4.299 -13.944 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 407 6.720 -12.730 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 407 7.223 -15.275 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 407 7.169 -14.542 -3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 407 8.795 -12.733 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 407 9.047 -13.878 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 407 8.781 -14.080 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 407 10.206 -15.108 -5.354 1.00 0.00 H new ATOM 1739 N LYS A 408 5.179 -11.311 -3.074 1.00 0.00 N ATOM 1740 CA LYS A 408 4.781 -10.312 -4.112 1.00 0.00 C ATOM 1741 C LYS A 408 4.532 -8.936 -3.478 1.00 0.00 C ATOM 1742 O LYS A 408 4.134 -8.830 -2.335 1.00 0.00 O ATOM 1743 CB LYS A 408 3.488 -10.872 -4.713 1.00 0.00 C ATOM 1744 CG LYS A 408 2.960 -9.924 -5.793 1.00 0.00 C ATOM 1745 CD LYS A 408 1.907 -10.645 -6.636 1.00 0.00 C ATOM 1746 CE LYS A 408 0.513 -10.349 -6.078 1.00 0.00 C ATOM 1747 NZ LYS A 408 0.107 -9.067 -6.720 1.00 0.00 N ATOM 0 H LYS A 408 4.796 -11.144 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 408 5.558 -10.167 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.673 -11.857 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 408 2.739 -10.999 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 408 2.527 -9.036 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.780 -9.586 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.971 -10.318 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 408 2.093 -11.719 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -0.187 -11.150 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 408 0.533 -10.258 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -0.841 -8.797 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 0.788 -8.322 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 0.090 -9.186 -7.753 1.00 0.00 H new ATOM 1761 N CYS A 409 4.758 -7.888 -4.229 1.00 0.00 N ATOM 1762 CA CYS A 409 4.534 -6.509 -3.702 1.00 0.00 C ATOM 1763 C CYS A 409 3.691 -5.710 -4.703 1.00 0.00 C ATOM 1764 O CYS A 409 3.654 -6.032 -5.875 1.00 0.00 O ATOM 1765 CB CYS A 409 5.933 -5.910 -3.574 1.00 0.00 C ATOM 1766 SG CYS A 409 5.823 -4.258 -2.843 1.00 0.00 S ATOM 0 H CYS A 409 5.091 -7.930 -5.192 1.00 0.00 H new ATOM 0 HA CYS A 409 4.001 -6.498 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.559 -6.552 -2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 409 6.406 -5.854 -4.554 1.00 0.00 H new ATOM 1771 N GLU A 410 3.014 -4.679 -4.256 1.00 0.00 N ATOM 1772 CA GLU A 410 2.176 -3.874 -5.201 1.00 0.00 C ATOM 1773 C GLU A 410 2.068 -2.415 -4.742 1.00 0.00 C ATOM 1774 O GLU A 410 2.226 -2.105 -3.577 1.00 0.00 O ATOM 1775 CB GLU A 410 0.801 -4.551 -5.198 1.00 0.00 C ATOM 1776 CG GLU A 410 0.213 -4.550 -3.784 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.792 -5.695 -3.651 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.942 -5.490 -4.000 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -0.394 -6.757 -3.202 1.00 0.00 O ATOM 0 H GLU A 410 3.005 -4.362 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 410 2.613 -3.844 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.129 -4.029 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.891 -5.575 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 410 1.009 -4.662 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.276 -3.597 -3.582 1.00 0.00 H new ATOM 1786 N ILE A 411 1.796 -1.522 -5.663 1.00 0.00 N ATOM 1787 CA ILE A 411 1.668 -0.075 -5.308 1.00 0.00 C ATOM 1788 C ILE A 411 0.623 0.597 -6.209 1.00 0.00 C ATOM 1789 O ILE A 411 0.280 0.088 -7.260 1.00 0.00 O ATOM 1790 CB ILE A 411 3.061 0.525 -5.550 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.475 0.324 -7.016 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.077 -0.165 -4.637 1.00 0.00 C ATOM 1793 CD1 ILE A 411 3.186 1.599 -7.811 1.00 0.00 C ATOM 0 H ILE A 411 1.657 -1.736 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 411 1.341 0.071 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 411 3.032 1.592 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 411 4.536 0.080 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 411 2.930 -0.516 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.066 0.260 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.792 -0.014 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 411 4.097 -1.232 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 411 3.480 1.454 -8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 411 2.120 1.824 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 411 3.751 2.429 -7.386 1.00 0.00 H new ATOM 1805 N PHE A 412 0.117 1.738 -5.805 1.00 0.00 N ATOM 1806 CA PHE A 412 -0.906 2.445 -6.637 1.00 0.00 C ATOM 1807 C PHE A 412 -1.081 3.894 -6.164 1.00 0.00 C ATOM 1808 O PHE A 412 -0.719 4.825 -6.859 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.196 1.645 -6.438 1.00 0.00 C ATOM 1810 CG PHE A 412 -3.299 2.239 -7.284 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.124 2.380 -8.666 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -4.496 2.649 -6.684 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -4.148 2.930 -9.448 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -5.518 3.200 -7.466 1.00 0.00 C ATOM 1815 CZ PHE A 412 -5.344 3.340 -8.848 1.00 0.00 C ATOM 0 H PHE A 412 0.368 2.209 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.618 2.498 -7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -2.035 0.603 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.484 1.657 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -2.200 2.065 -9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.631 2.540 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.014 3.038 -10.514 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -6.441 3.517 -7.003 1.00 0.00 H new ATOM 0 HZ PHE A 412 -6.133 3.764 -9.451 1.00 0.00 H new ATOM 1825 N ASN A 413 -1.639 4.091 -4.994 1.00 0.00 N ATOM 1826 CA ASN A 413 -1.843 5.481 -4.481 1.00 0.00 C ATOM 1827 C ASN A 413 -2.232 5.451 -2.997 1.00 0.00 C ATOM 1828 O ASN A 413 -1.952 4.499 -2.295 1.00 0.00 O ATOM 1829 CB ASN A 413 -2.987 6.047 -5.326 1.00 0.00 C ATOM 1830 CG ASN A 413 -2.713 7.519 -5.642 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -1.585 7.901 -5.884 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -3.705 8.366 -5.651 1.00 0.00 N ATOM 0 H ASN A 413 -1.962 3.349 -4.373 1.00 0.00 H new ATOM 0 HA ASN A 413 -0.940 6.086 -4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -3.085 5.478 -6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -3.931 5.949 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -3.534 9.349 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -4.652 8.045 -5.448 1.00 0.00 H new ATOM 1839 N VAL A 414 -2.874 6.490 -2.521 1.00 0.00 N ATOM 1840 CA VAL A 414 -3.282 6.532 -1.082 1.00 0.00 C ATOM 1841 C VAL A 414 -4.688 5.943 -0.906 1.00 0.00 C ATOM 1842 O VAL A 414 -5.492 5.954 -1.818 1.00 0.00 O ATOM 1843 CB VAL A 414 -3.259 8.017 -0.693 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -1.839 8.567 -0.862 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -4.224 8.814 -1.584 1.00 0.00 C ATOM 0 H VAL A 414 -3.133 7.311 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.615 5.943 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.572 8.116 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.822 9.621 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -1.155 8.013 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.528 8.459 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -4.199 9.866 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.923 8.714 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -5.236 8.429 -1.460 1.00 0.00 H new ATOM 1855 N LYS A 415 -4.984 5.428 0.263 1.00 0.00 N ATOM 1856 CA LYS A 415 -6.334 4.835 0.509 1.00 0.00 C ATOM 1857 C LYS A 415 -6.897 5.334 1.850 1.00 0.00 C ATOM 1858 O LYS A 415 -6.699 4.703 2.869 1.00 0.00 O ATOM 1859 CB LYS A 415 -6.102 3.322 0.557 1.00 0.00 C ATOM 1860 CG LYS A 415 -5.524 2.842 -0.779 1.00 0.00 C ATOM 1861 CD LYS A 415 -6.596 2.938 -1.872 1.00 0.00 C ATOM 1862 CE LYS A 415 -5.976 3.501 -3.154 1.00 0.00 C ATOM 1863 NZ LYS A 415 -7.010 4.421 -3.708 1.00 0.00 N ATOM 0 H LYS A 415 -4.347 5.393 1.059 1.00 0.00 H new ATOM 0 HA LYS A 415 -7.052 5.113 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -5.418 3.075 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -7.040 2.807 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -4.659 3.448 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -5.176 1.813 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -7.022 1.953 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -7.412 3.579 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -5.047 4.031 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -5.736 2.705 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -6.867 4.527 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -7.956 4.028 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -6.929 5.351 -3.249 1.00 0.00 H new ATOM 1877 N PRO A 416 -7.577 6.462 1.818 1.00 0.00 N ATOM 1878 CA PRO A 416 -8.150 7.030 3.061 1.00 0.00 C ATOM 1879 C PRO A 416 -9.469 6.341 3.431 1.00 0.00 C ATOM 1880 O PRO A 416 -9.755 6.120 4.594 1.00 0.00 O ATOM 1881 CB PRO A 416 -8.394 8.492 2.706 1.00 0.00 C ATOM 1882 CG PRO A 416 -8.555 8.525 1.217 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.870 7.305 0.647 1.00 0.00 C ATOM 0 HA PRO A 416 -7.494 6.899 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -9.285 8.873 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -7.559 9.117 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -9.611 8.530 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -8.117 9.435 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -8.512 6.786 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -6.958 7.575 0.115 1.00 0.00 H new ATOM 1891 N THR A 417 -10.283 6.019 2.457 1.00 0.00 N ATOM 1892 CA THR A 417 -11.595 5.363 2.755 1.00 0.00 C ATOM 1893 C THR A 417 -11.409 3.864 3.039 1.00 0.00 C ATOM 1894 O THR A 417 -11.363 3.449 4.182 1.00 0.00 O ATOM 1895 CB THR A 417 -12.446 5.584 1.499 1.00 0.00 C ATOM 1896 OG1 THR A 417 -11.661 5.314 0.346 1.00 0.00 O ATOM 1897 CG2 THR A 417 -12.936 7.033 1.456 1.00 0.00 C ATOM 0 H THR A 417 -10.096 6.182 1.468 1.00 0.00 H new ATOM 0 HA THR A 417 -12.067 5.782 3.644 1.00 0.00 H new ATOM 0 HB THR A 417 -13.306 4.915 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 417 -12.203 5.453 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 417 -13.540 7.186 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 417 -13.538 7.240 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 417 -12.079 7.706 1.434 1.00 0.00 H new ATOM 1905 N CYS A 418 -11.304 3.051 2.016 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.128 1.583 2.232 1.00 0.00 C ATOM 1907 C CYS A 418 -9.668 1.190 1.992 1.00 0.00 C ATOM 1908 O CYS A 418 -8.806 2.037 1.855 1.00 0.00 O ATOM 1909 CB CYS A 418 -12.046 0.918 1.205 1.00 0.00 C ATOM 1910 SG CYS A 418 -13.665 0.611 1.955 1.00 0.00 S ATOM 0 H CYS A 418 -11.333 3.343 1.039 1.00 0.00 H new ATOM 0 HA CYS A 418 -11.375 1.279 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -12.154 1.558 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -11.608 -0.020 0.863 1.00 0.00 H new ATOM 1915 N LEU A 419 -9.388 -0.086 1.943 1.00 0.00 N ATOM 1916 CA LEU A 419 -7.982 -0.543 1.714 1.00 0.00 C ATOM 1917 C LEU A 419 -7.930 -1.540 0.553 1.00 0.00 C ATOM 1918 O LEU A 419 -8.898 -2.215 0.263 1.00 0.00 O ATOM 1919 CB LEU A 419 -7.557 -1.219 3.025 1.00 0.00 C ATOM 1920 CG LEU A 419 -8.530 -2.353 3.374 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -7.763 -3.502 4.032 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -9.593 -1.831 4.347 1.00 0.00 C ATOM 0 H LEU A 419 -10.073 -0.834 2.052 1.00 0.00 H new ATOM 0 HA LEU A 419 -7.321 0.283 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -6.546 -1.614 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -7.537 -0.486 3.831 1.00 0.00 H new ATOM 0 HG LEU A 419 -9.010 -2.711 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -8.455 -4.307 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -7.005 -3.875 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -7.282 -3.144 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -10.285 -2.636 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -9.110 -1.474 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -10.141 -1.012 3.882 1.00 0.00 H new ATOM 1934 N ILE A 420 -6.804 -1.636 -0.111 1.00 0.00 N ATOM 1935 CA ILE A 420 -6.681 -2.592 -1.255 1.00 0.00 C ATOM 1936 C ILE A 420 -5.737 -3.741 -0.880 1.00 0.00 C ATOM 1937 O ILE A 420 -5.879 -4.851 -1.357 1.00 0.00 O ATOM 1938 CB ILE A 420 -6.089 -1.775 -2.410 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -7.015 -0.603 -2.744 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -5.943 -2.670 -3.647 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -6.353 0.284 -3.803 1.00 0.00 C ATOM 0 H ILE A 420 -5.964 -1.093 0.090 1.00 0.00 H new ATOM 0 HA ILE A 420 -7.641 -3.033 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 420 -5.112 -1.393 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.972 -0.975 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -7.223 -0.022 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -5.522 -2.090 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -5.281 -3.505 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.922 -3.052 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.012 1.119 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -5.407 0.666 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -6.168 -0.301 -4.704 1.00 0.00 H new ATOM 1953 N ASN A 421 -4.771 -3.475 -0.039 1.00 0.00 N ATOM 1954 CA ASN A 421 -3.806 -4.542 0.363 1.00 0.00 C ATOM 1955 C ASN A 421 -3.649 -4.579 1.886 1.00 0.00 C ATOM 1956 O ASN A 421 -4.169 -3.740 2.595 1.00 0.00 O ATOM 1957 CB ASN A 421 -2.485 -4.151 -0.300 1.00 0.00 C ATOM 1958 CG ASN A 421 -1.784 -5.406 -0.824 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -2.429 -6.353 -1.228 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -0.479 -5.455 -0.833 1.00 0.00 N ATOM 0 H ASN A 421 -4.609 -2.563 0.388 1.00 0.00 H new ATOM 0 HA ASN A 421 -4.142 -5.533 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -2.669 -3.456 -1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.845 -3.637 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -0.002 -6.288 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.064 -4.661 -0.494 1.00 0.00 H new ATOM 1967 N ASN A 422 -2.932 -5.553 2.386 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.731 -5.664 3.864 1.00 0.00 C ATOM 1969 C ASN A 422 -1.979 -4.439 4.394 1.00 0.00 C ATOM 1970 O ASN A 422 -2.534 -3.623 5.105 1.00 0.00 O ATOM 1971 CB ASN A 422 -1.895 -6.932 4.065 1.00 0.00 C ATOM 1972 CG ASN A 422 -2.751 -8.161 3.757 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -3.432 -8.206 2.752 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -2.745 -9.170 4.586 1.00 0.00 N ATOM 0 H ASN A 422 -2.476 -6.279 1.833 1.00 0.00 H new ATOM 0 HA ASN A 422 -3.678 -5.712 4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -1.021 -6.912 3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.527 -6.979 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -3.312 -9.995 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.174 -9.133 5.430 1.00 0.00 H new ATOM 1981 N SER A 423 -0.720 -4.310 4.056 1.00 0.00 N ATOM 1982 CA SER A 423 0.074 -3.142 4.543 1.00 0.00 C ATOM 1983 C SER A 423 -0.070 -1.961 3.580 1.00 0.00 C ATOM 1984 O SER A 423 -0.151 -2.136 2.379 1.00 0.00 O ATOM 1985 CB SER A 423 1.519 -3.633 4.576 1.00 0.00 C ATOM 1986 OG SER A 423 1.563 -4.926 5.163 1.00 0.00 O ATOM 0 H SER A 423 -0.208 -4.964 3.464 1.00 0.00 H new ATOM 0 HA SER A 423 -0.262 -2.795 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.927 -3.666 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 423 2.137 -2.941 5.147 1.00 0.00 H new ATOM 0 HG SER A 423 1.424 -5.605 4.470 1.00 0.00 H new ATOM 1992 N SER A 424 -0.097 -0.762 4.103 1.00 0.00 N ATOM 1993 CA SER A 424 -0.231 0.441 3.229 1.00 0.00 C ATOM 1994 C SER A 424 0.707 1.550 3.717 1.00 0.00 C ATOM 1995 O SER A 424 0.271 2.603 4.146 1.00 0.00 O ATOM 1996 CB SER A 424 -1.693 0.868 3.368 1.00 0.00 C ATOM 1997 OG SER A 424 -2.535 -0.209 2.977 1.00 0.00 O ATOM 0 H SER A 424 -0.032 -0.564 5.102 1.00 0.00 H new ATOM 0 HA SER A 424 0.034 0.235 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.904 1.154 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 424 -1.889 1.742 2.747 1.00 0.00 H new ATOM 0 HG SER A 424 -3.473 0.060 3.066 1.00 0.00 H new ATOM 2003 N TYR A 425 1.992 1.315 3.655 1.00 0.00 N ATOM 2004 CA TYR A 425 2.972 2.348 4.114 1.00 0.00 C ATOM 2005 C TYR A 425 2.891 3.582 3.211 1.00 0.00 C ATOM 2006 O TYR A 425 3.469 3.616 2.142 1.00 0.00 O ATOM 2007 CB TYR A 425 4.347 1.680 3.996 1.00 0.00 C ATOM 2008 CG TYR A 425 5.176 1.997 5.219 1.00 0.00 C ATOM 2009 CD1 TYR A 425 5.897 3.195 5.284 1.00 0.00 C ATOM 2010 CD2 TYR A 425 5.222 1.093 6.286 1.00 0.00 C ATOM 2011 CE1 TYR A 425 6.666 3.489 6.416 1.00 0.00 C ATOM 2012 CE2 TYR A 425 5.992 1.387 7.419 1.00 0.00 C ATOM 2013 CZ TYR A 425 6.713 2.585 7.484 1.00 0.00 C ATOM 2014 OH TYR A 425 7.472 2.875 8.599 1.00 0.00 O ATOM 0 H TYR A 425 2.407 0.451 3.306 1.00 0.00 H new ATOM 0 HA TYR A 425 2.774 2.683 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 425 4.230 0.601 3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.857 2.031 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 425 5.860 3.893 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 425 4.664 0.169 6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 425 7.223 4.413 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 425 6.029 0.689 8.242 1.00 0.00 H new ATOM 0 HH TYR A 425 7.394 2.144 9.247 1.00 0.00 H new ATOM 2024 N ILE A 426 2.176 4.592 3.637 1.00 0.00 N ATOM 2025 CA ILE A 426 2.047 5.829 2.809 1.00 0.00 C ATOM 2026 C ILE A 426 2.423 7.061 3.639 1.00 0.00 C ATOM 2027 O ILE A 426 1.825 7.335 4.663 1.00 0.00 O ATOM 2028 CB ILE A 426 0.570 5.883 2.399 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.209 4.622 1.608 1.00 0.00 C ATOM 2030 CG2 ILE A 426 0.322 7.113 1.522 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -1.312 4.517 1.481 1.00 0.00 C ATOM 0 H ILE A 426 1.675 4.613 4.525 1.00 0.00 H new ATOM 0 HA ILE A 426 2.708 5.817 1.942 1.00 0.00 H new ATOM 0 HB ILE A 426 -0.047 5.943 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.666 4.657 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.604 3.739 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 426 -0.728 7.148 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 426 0.575 8.015 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 426 0.943 7.054 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.569 3.620 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.757 4.462 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.695 5.394 0.960 1.00 0.00 H new ATOM 2043 N ALA A 427 3.409 7.801 3.201 1.00 0.00 N ATOM 2044 CA ALA A 427 3.832 9.019 3.954 1.00 0.00 C ATOM 2045 C ALA A 427 4.656 9.940 3.050 1.00 0.00 C ATOM 2046 O ALA A 427 5.641 10.516 3.470 1.00 0.00 O ATOM 2047 CB ALA A 427 4.685 8.494 5.109 1.00 0.00 C ATOM 0 H ALA A 427 3.941 7.613 2.351 1.00 0.00 H new ATOM 0 HA ALA A 427 2.982 9.602 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 427 5.036 9.331 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 427 4.087 7.826 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 427 5.541 7.950 4.711 1.00 0.00 H new