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 401 ASN : amide:sc= -5.02 K(o=-8.7,f=-9.5!) USER MOD Set 1.2: A 421 ASN : amide:sc= -3.72 K(o=-8.7,f=-9.9) USER MOD Set 2.1: A 404 THR OG1 : rot 51:sc= -0.409 USER MOD Set 2.2: A 422 ASN : amide:sc= -1.22 X(o=-1.6,f=-1.9!) USER MOD Set 3.1: A 398 ASN : amide:sc= 0.438 K(o=0.46,f=-2.7!) USER MOD Set 3.2: A 402 TYR OH : rot 130:sc= 0.0198 USER MOD Single : A 325 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.0065) USER MOD Single : A 327 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : A 338 ASN : amide:sc= -0.774 K(o=-0.77,f=-6!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 ASN : amide:sc= -2.51 K(o=-2.5,f=-15!) USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 407 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 408 LYS NZ :NH3+ -153:sc= 0.356 (180deg=0.118) USER MOD Single : A 413 ASN : amide:sc= 0.00445 K(o=0.0045,f=-0.74) 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 423 SER OG : rot -67:sc= -1.34 USER MOD Single : A 424 SER OG : rot 40:sc= 0.832 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -15.453 0.171 -2.419 1.00 0.00 N ATOM 348 CA CYS A 320 -14.313 0.334 -3.366 1.00 0.00 C ATOM 349 C CYS A 320 -14.742 -0.032 -4.787 1.00 0.00 C ATOM 350 O CYS A 320 -15.814 -0.562 -5.009 1.00 0.00 O ATOM 351 CB CYS A 320 -13.244 -0.640 -2.870 1.00 0.00 C ATOM 352 SG CYS A 320 -11.601 0.044 -3.198 1.00 0.00 S ATOM 0 HA CYS A 320 -13.952 1.362 -3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -13.368 -0.819 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -13.355 -1.603 -3.369 1.00 0.00 H new ATOM 357 N GLU A 321 -13.903 0.251 -5.745 1.00 0.00 N ATOM 358 CA GLU A 321 -14.231 -0.069 -7.165 1.00 0.00 C ATOM 359 C GLU A 321 -13.486 -1.334 -7.602 1.00 0.00 C ATOM 360 O GLU A 321 -12.634 -1.836 -6.894 1.00 0.00 O ATOM 361 CB GLU A 321 -13.752 1.143 -7.965 1.00 0.00 C ATOM 362 CG GLU A 321 -14.275 1.048 -9.400 1.00 0.00 C ATOM 363 CD GLU A 321 -14.479 2.455 -9.966 1.00 0.00 C ATOM 364 OE1 GLU A 321 -13.519 3.012 -10.473 1.00 0.00 O ATOM 365 OE2 GLU A 321 -15.590 2.951 -9.883 1.00 0.00 O ATOM 0 H GLU A 321 -12.995 0.695 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 321 -15.294 -0.258 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -14.105 2.063 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -12.663 1.184 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -13.569 0.495 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -15.215 0.497 -9.419 1.00 0.00 H new ATOM 372 N ASP A 322 -13.807 -1.855 -8.761 1.00 0.00 N ATOM 373 CA ASP A 322 -13.125 -3.097 -9.256 1.00 0.00 C ATOM 374 C ASP A 322 -11.598 -2.940 -9.211 1.00 0.00 C ATOM 375 O ASP A 322 -11.082 -1.874 -8.938 1.00 0.00 O ATOM 376 CB ASP A 322 -13.604 -3.269 -10.703 1.00 0.00 C ATOM 377 CG ASP A 322 -14.615 -4.417 -10.783 1.00 0.00 C ATOM 378 OD1 ASP A 322 -15.454 -4.504 -9.901 1.00 0.00 O ATOM 379 OD2 ASP A 322 -14.531 -5.189 -11.723 1.00 0.00 O ATOM 0 H ASP A 322 -14.514 -1.474 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 322 -13.366 -3.962 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.061 -2.345 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -12.755 -3.474 -11.355 1.00 0.00 H new ATOM 384 N ILE A 323 -10.880 -4.003 -9.475 1.00 0.00 N ATOM 385 CA ILE A 323 -9.384 -3.940 -9.446 1.00 0.00 C ATOM 386 C ILE A 323 -8.868 -2.863 -10.428 1.00 0.00 C ATOM 387 O ILE A 323 -8.966 -3.033 -11.627 1.00 0.00 O ATOM 388 CB ILE A 323 -8.914 -5.343 -9.869 1.00 0.00 C ATOM 389 CG1 ILE A 323 -7.383 -5.390 -9.882 1.00 0.00 C ATOM 390 CG2 ILE A 323 -9.446 -5.681 -11.266 1.00 0.00 C ATOM 391 CD1 ILE A 323 -6.916 -6.839 -9.730 1.00 0.00 C ATOM 0 H ILE A 323 -11.267 -4.917 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 323 -9.003 -3.668 -8.462 1.00 0.00 H new ATOM 0 HB ILE A 323 -9.297 -6.073 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -7.004 -4.970 -10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -6.983 -4.781 -9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -9.107 -6.676 -11.554 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -10.536 -5.658 -11.256 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -9.075 -4.949 -11.984 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -5.827 -6.873 -9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -7.284 -7.243 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -7.305 -7.435 -10.556 1.00 0.00 H new ATOM 403 N PRO A 324 -8.332 -1.781 -9.896 1.00 0.00 N ATOM 404 CA PRO A 324 -7.809 -0.703 -10.770 1.00 0.00 C ATOM 405 C PRO A 324 -6.477 -1.129 -11.395 1.00 0.00 C ATOM 406 O PRO A 324 -6.117 -2.291 -11.370 1.00 0.00 O ATOM 407 CB PRO A 324 -7.607 0.472 -9.818 1.00 0.00 C ATOM 408 CG PRO A 324 -7.420 -0.145 -8.469 1.00 0.00 C ATOM 409 CD PRO A 324 -8.160 -1.457 -8.468 1.00 0.00 C ATOM 0 HA PRO A 324 -8.476 -0.462 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.738 1.065 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.468 1.141 -9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -6.361 -0.301 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -7.804 0.513 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -7.595 -2.232 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.121 -1.371 -7.961 1.00 0.00 H new ATOM 417 N HIS A 325 -5.747 -0.197 -11.952 1.00 0.00 N ATOM 418 CA HIS A 325 -4.435 -0.542 -12.578 1.00 0.00 C ATOM 419 C HIS A 325 -3.290 -0.210 -11.617 1.00 0.00 C ATOM 420 O HIS A 325 -2.823 0.912 -11.560 1.00 0.00 O ATOM 421 CB HIS A 325 -4.353 0.330 -13.832 1.00 0.00 C ATOM 422 CG HIS A 325 -5.218 -0.262 -14.911 1.00 0.00 C ATOM 423 ND1 HIS A 325 -4.814 -0.314 -16.236 1.00 0.00 N ATOM 424 CD2 HIS A 325 -6.467 -0.831 -14.876 1.00 0.00 C ATOM 425 CE1 HIS A 325 -5.804 -0.896 -16.938 1.00 0.00 C ATOM 426 NE2 HIS A 325 -6.834 -1.231 -16.158 1.00 0.00 N ATOM 0 H HIS A 325 -6.003 0.789 -12.000 1.00 0.00 H new ATOM 0 HA HIS A 325 -4.355 -1.603 -12.814 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -4.680 1.345 -13.605 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -3.320 0.397 -14.175 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -7.072 -0.950 -13.989 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -5.769 -1.071 -18.003 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -7.704 -1.683 -16.441 1.00 0.00 H new ATOM 434 N VAL A 326 -2.836 -1.180 -10.865 1.00 0.00 N ATOM 435 CA VAL A 326 -1.719 -0.929 -9.903 1.00 0.00 C ATOM 436 C VAL A 326 -0.468 -1.706 -10.326 1.00 0.00 C ATOM 437 O VAL A 326 -0.545 -2.664 -11.073 1.00 0.00 O ATOM 438 CB VAL A 326 -2.234 -1.426 -8.546 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.474 -0.623 -8.147 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.600 -2.912 -8.634 1.00 0.00 C ATOM 0 H VAL A 326 -3.191 -2.136 -10.875 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.438 0.124 -9.866 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.451 -1.294 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.841 -0.975 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.215 0.433 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.250 -0.754 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.964 -3.255 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.378 -3.051 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.718 -3.488 -8.914 1.00 0.00 H new ATOM 450 N ASN A 327 0.682 -1.297 -9.852 1.00 0.00 N ATOM 451 CA ASN A 327 1.945 -2.005 -10.219 1.00 0.00 C ATOM 452 C ASN A 327 2.261 -3.086 -9.183 1.00 0.00 C ATOM 453 O ASN A 327 2.225 -2.844 -7.991 1.00 0.00 O ATOM 454 CB ASN A 327 3.023 -0.920 -10.211 1.00 0.00 C ATOM 455 CG ASN A 327 3.242 -0.405 -11.635 1.00 0.00 C ATOM 456 OD1 ASN A 327 2.620 0.553 -12.048 1.00 0.00 O ATOM 457 ND2 ASN A 327 4.105 -1.006 -12.407 1.00 0.00 N ATOM 0 H ASN A 327 0.800 -0.501 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 327 1.876 -2.502 -11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.723 -0.100 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.954 -1.321 -9.811 1.00 0.00 H new ATOM 0 HD21 ASN A 327 4.258 -0.671 -13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 327 4.627 -1.810 -12.059 1.00 0.00 H new ATOM 464 N GLU A 328 2.571 -4.276 -9.631 1.00 0.00 N ATOM 465 CA GLU A 328 2.891 -5.381 -8.679 1.00 0.00 C ATOM 466 C GLU A 328 4.388 -5.701 -8.719 1.00 0.00 C ATOM 467 O GLU A 328 4.979 -5.813 -9.776 1.00 0.00 O ATOM 468 CB GLU A 328 2.074 -6.576 -9.170 1.00 0.00 C ATOM 469 CG GLU A 328 2.073 -7.669 -8.098 1.00 0.00 C ATOM 470 CD GLU A 328 1.739 -9.016 -8.742 1.00 0.00 C ATOM 471 OE1 GLU A 328 0.936 -9.029 -9.660 1.00 0.00 O ATOM 472 OE2 GLU A 328 2.293 -10.012 -8.305 1.00 0.00 O ATOM 0 H GLU A 328 2.616 -4.530 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 328 2.652 -5.119 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.052 -6.266 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.496 -6.962 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 328 3.048 -7.718 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.343 -7.433 -7.324 1.00 0.00 H new ATOM 479 N PHE A 329 4.999 -5.849 -7.571 1.00 0.00 N ATOM 480 CA PHE A 329 6.459 -6.165 -7.528 1.00 0.00 C ATOM 481 C PHE A 329 6.671 -7.617 -7.072 1.00 0.00 C ATOM 482 O PHE A 329 6.781 -7.875 -5.889 1.00 0.00 O ATOM 483 CB PHE A 329 7.041 -5.192 -6.501 1.00 0.00 C ATOM 484 CG PHE A 329 7.593 -3.975 -7.206 1.00 0.00 C ATOM 485 CD1 PHE A 329 6.779 -3.236 -8.073 1.00 0.00 C ATOM 486 CD2 PHE A 329 8.919 -3.584 -6.989 1.00 0.00 C ATOM 487 CE1 PHE A 329 7.292 -2.108 -8.724 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.432 -2.456 -7.639 1.00 0.00 C ATOM 489 CZ PHE A 329 8.618 -1.718 -8.507 1.00 0.00 C ATOM 0 H PHE A 329 4.549 -5.764 -6.660 1.00 0.00 H new ATOM 0 HA PHE A 329 6.935 -6.064 -8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.270 -4.894 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.829 -5.681 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 329 5.755 -3.536 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.547 -4.153 -6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 329 6.664 -1.539 -9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 329 10.455 -2.155 -7.471 1.00 0.00 H new ATOM 0 HZ PHE A 329 9.014 -0.848 -9.009 1.00 0.00 H new ATOM 499 N PRO A 330 6.721 -8.528 -8.022 1.00 0.00 N ATOM 500 CA PRO A 330 6.921 -9.960 -7.678 1.00 0.00 C ATOM 501 C PRO A 330 8.365 -10.211 -7.234 1.00 0.00 C ATOM 502 O PRO A 330 8.624 -11.034 -6.377 1.00 0.00 O ATOM 503 CB PRO A 330 6.621 -10.690 -8.984 1.00 0.00 C ATOM 504 CG PRO A 330 6.883 -9.686 -10.060 1.00 0.00 C ATOM 505 CD PRO A 330 6.598 -8.328 -9.476 1.00 0.00 C ATOM 0 HA PRO A 330 6.289 -10.292 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 330 7.257 -11.568 -9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 330 5.589 -11.038 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 330 7.916 -9.749 -10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 330 6.248 -9.874 -10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 330 7.306 -7.582 -9.837 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.602 -7.979 -9.747 1.00 0.00 H new ATOM 513 N ALA A 331 9.306 -9.509 -7.815 1.00 0.00 N ATOM 514 CA ALA A 331 10.737 -9.704 -7.434 1.00 0.00 C ATOM 515 C ALA A 331 11.122 -8.749 -6.302 1.00 0.00 C ATOM 516 O ALA A 331 10.393 -7.828 -5.980 1.00 0.00 O ATOM 517 CB ALA A 331 11.530 -9.382 -8.701 1.00 0.00 C ATOM 0 H ALA A 331 9.143 -8.808 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 331 10.934 -10.714 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.595 -9.502 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 331 11.230 -10.060 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 331 11.331 -8.354 -9.004 1.00 0.00 H new ATOM 523 N ILE A 332 12.263 -8.964 -5.700 1.00 0.00 N ATOM 524 CA ILE A 332 12.711 -8.076 -4.585 1.00 0.00 C ATOM 525 C ILE A 332 14.186 -8.342 -4.269 1.00 0.00 C ATOM 526 O ILE A 332 14.592 -8.388 -3.123 1.00 0.00 O ATOM 527 CB ILE A 332 11.811 -8.444 -3.401 1.00 0.00 C ATOM 528 CG1 ILE A 332 12.149 -7.554 -2.190 1.00 0.00 C ATOM 529 CG2 ILE A 332 12.009 -9.920 -3.031 1.00 0.00 C ATOM 530 CD1 ILE A 332 10.977 -6.613 -1.896 1.00 0.00 C ATOM 0 H ILE A 332 12.907 -9.720 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 332 12.631 -7.017 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 332 10.771 -8.284 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 332 12.357 -8.174 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 332 13.050 -6.975 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 332 11.366 -10.173 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 332 11.752 -10.547 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 332 13.050 -10.090 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 332 11.220 -5.985 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 332 10.789 -5.983 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 332 10.086 -7.200 -1.674 1.00 0.00 H new ATOM 542 N ASP A 333 14.983 -8.523 -5.287 1.00 0.00 N ATOM 543 CA ASP A 333 16.440 -8.793 -5.074 1.00 0.00 C ATOM 544 C ASP A 333 17.091 -7.637 -4.306 1.00 0.00 C ATOM 545 O ASP A 333 17.527 -7.799 -3.181 1.00 0.00 O ATOM 546 CB ASP A 333 17.037 -8.909 -6.479 1.00 0.00 C ATOM 547 CG ASP A 333 18.524 -9.254 -6.377 1.00 0.00 C ATOM 548 OD1 ASP A 333 18.839 -10.433 -6.353 1.00 0.00 O ATOM 549 OD2 ASP A 333 19.324 -8.334 -6.324 1.00 0.00 O ATOM 0 H ASP A 333 14.689 -8.496 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 333 16.607 -9.696 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 333 16.513 -9.679 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 333 16.907 -7.971 -7.019 1.00 0.00 H new ATOM 554 N LEU A 334 17.161 -6.476 -4.906 1.00 0.00 N ATOM 555 CA LEU A 334 17.786 -5.308 -4.216 1.00 0.00 C ATOM 556 C LEU A 334 16.904 -4.065 -4.370 1.00 0.00 C ATOM 557 O LEU A 334 17.387 -2.986 -4.655 1.00 0.00 O ATOM 558 CB LEU A 334 19.127 -5.102 -4.920 1.00 0.00 C ATOM 559 CG LEU A 334 20.177 -4.661 -3.899 1.00 0.00 C ATOM 560 CD1 LEU A 334 21.575 -4.971 -4.438 1.00 0.00 C ATOM 561 CD2 LEU A 334 20.048 -3.155 -3.655 1.00 0.00 C ATOM 0 H LEU A 334 16.812 -6.287 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 334 17.908 -5.480 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 334 19.441 -6.027 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 334 19.027 -4.350 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 334 20.021 -5.197 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 334 22.323 -4.657 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 334 21.668 -6.043 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 334 21.731 -4.435 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 334 20.796 -2.839 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 334 20.204 -2.620 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 334 19.052 -2.932 -3.272 1.00 0.00 H new ATOM 573 N PHE A 335 15.617 -4.213 -4.183 1.00 0.00 N ATOM 574 CA PHE A 335 14.698 -3.042 -4.316 1.00 0.00 C ATOM 575 C PHE A 335 13.307 -3.391 -3.776 1.00 0.00 C ATOM 576 O PHE A 335 12.804 -4.478 -3.986 1.00 0.00 O ATOM 577 CB PHE A 335 14.639 -2.738 -5.820 1.00 0.00 C ATOM 578 CG PHE A 335 14.152 -3.951 -6.581 1.00 0.00 C ATOM 579 CD1 PHE A 335 12.778 -4.193 -6.712 1.00 0.00 C ATOM 580 CD2 PHE A 335 15.075 -4.833 -7.155 1.00 0.00 C ATOM 581 CE1 PHE A 335 12.330 -5.316 -7.417 1.00 0.00 C ATOM 582 CE2 PHE A 335 14.626 -5.957 -7.861 1.00 0.00 C ATOM 583 CZ PHE A 335 13.254 -6.197 -7.992 1.00 0.00 C ATOM 0 H PHE A 335 15.163 -5.094 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 335 15.049 -2.181 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 335 13.973 -1.894 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 335 15.627 -2.447 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 335 12.065 -3.513 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 335 16.134 -4.647 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 335 11.271 -5.503 -7.518 1.00 0.00 H new ATOM 0 HE2 PHE A 335 15.338 -6.637 -8.304 1.00 0.00 H new ATOM 0 HZ PHE A 335 12.907 -7.062 -8.537 1.00 0.00 H new ATOM 593 N GLU A 336 12.687 -2.471 -3.083 1.00 0.00 N ATOM 594 CA GLU A 336 11.326 -2.732 -2.522 1.00 0.00 C ATOM 595 C GLU A 336 10.262 -2.200 -3.490 1.00 0.00 C ATOM 596 O GLU A 336 10.506 -2.067 -4.674 1.00 0.00 O ATOM 597 CB GLU A 336 11.291 -1.968 -1.194 1.00 0.00 C ATOM 598 CG GLU A 336 12.398 -2.486 -0.270 1.00 0.00 C ATOM 599 CD GLU A 336 13.641 -1.607 -0.417 1.00 0.00 C ATOM 600 OE1 GLU A 336 13.732 -0.621 0.296 1.00 0.00 O ATOM 601 OE2 GLU A 336 14.480 -1.935 -1.239 1.00 0.00 O ATOM 0 H GLU A 336 13.066 -1.546 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 336 11.124 -3.793 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 336 11.424 -0.901 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 336 10.319 -2.092 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 336 12.055 -2.479 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 336 12.639 -3.519 -0.519 1.00 0.00 H new ATOM 608 N CYS A 337 9.087 -1.890 -2.999 1.00 0.00 N ATOM 609 CA CYS A 337 8.010 -1.362 -3.891 1.00 0.00 C ATOM 610 C CYS A 337 8.199 0.145 -4.101 1.00 0.00 C ATOM 611 O CYS A 337 7.323 0.939 -3.817 1.00 0.00 O ATOM 612 CB CYS A 337 6.697 -1.651 -3.148 1.00 0.00 C ATOM 613 SG CYS A 337 5.823 -3.024 -3.944 1.00 0.00 S ATOM 0 H CYS A 337 8.828 -1.980 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 337 8.022 -1.824 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 337 6.905 -1.897 -2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.068 -0.761 -3.146 1.00 0.00 H new ATOM 618 N ASN A 338 9.343 0.538 -4.600 1.00 0.00 N ATOM 619 CA ASN A 338 9.609 1.990 -4.837 1.00 0.00 C ATOM 620 C ASN A 338 10.713 2.155 -5.887 1.00 0.00 C ATOM 621 O ASN A 338 11.498 3.082 -5.834 1.00 0.00 O ATOM 622 CB ASN A 338 10.061 2.543 -3.479 1.00 0.00 C ATOM 623 CG ASN A 338 11.304 1.792 -2.984 1.00 0.00 C ATOM 624 OD1 ASN A 338 11.761 0.857 -3.614 1.00 0.00 O ATOM 625 ND2 ASN A 338 11.875 2.167 -1.871 1.00 0.00 N ATOM 0 H ASN A 338 10.108 -0.087 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 338 8.732 2.517 -5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 338 10.282 3.607 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 338 9.255 2.444 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 338 12.702 1.676 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 338 11.494 2.951 -1.341 1.00 0.00 H new ATOM 632 N LYS A 339 10.775 1.256 -6.834 1.00 0.00 N ATOM 633 CA LYS A 339 11.823 1.342 -7.895 1.00 0.00 C ATOM 634 C LYS A 339 11.344 2.218 -9.060 1.00 0.00 C ATOM 635 O LYS A 339 12.141 2.751 -9.810 1.00 0.00 O ATOM 636 CB LYS A 339 12.028 -0.100 -8.359 1.00 0.00 C ATOM 637 CG LYS A 339 13.434 -0.257 -8.944 1.00 0.00 C ATOM 638 CD LYS A 339 13.380 -0.082 -10.463 1.00 0.00 C ATOM 639 CE LYS A 339 14.801 0.050 -11.014 1.00 0.00 C ATOM 640 NZ LYS A 339 14.657 -0.103 -12.489 1.00 0.00 N ATOM 0 H LYS A 339 10.141 0.461 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 339 12.744 1.792 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 339 11.893 -0.785 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 339 11.280 -0.361 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 339 14.106 0.482 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 339 13.835 -1.240 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 339 12.879 -0.936 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 339 12.797 0.803 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 339 15.236 1.016 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 339 15.458 -0.715 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 15.591 -0.024 -12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 14.247 -1.035 -12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 14.032 0.643 -12.856 1.00 0.00 H new ATOM 654 N LEU A 340 10.050 2.368 -9.218 1.00 0.00 N ATOM 655 CA LEU A 340 9.517 3.208 -10.339 1.00 0.00 C ATOM 656 C LEU A 340 10.072 4.634 -10.252 1.00 0.00 C ATOM 657 O LEU A 340 10.733 4.993 -9.295 1.00 0.00 O ATOM 658 CB LEU A 340 7.998 3.214 -10.153 1.00 0.00 C ATOM 659 CG LEU A 340 7.457 1.794 -10.325 1.00 0.00 C ATOM 660 CD1 LEU A 340 6.086 1.683 -9.655 1.00 0.00 C ATOM 661 CD2 LEU A 340 7.321 1.480 -11.816 1.00 0.00 C ATOM 0 H LEU A 340 9.340 1.945 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 340 9.806 2.815 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 340 7.744 3.594 -9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.535 3.881 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 340 8.144 1.085 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.702 0.671 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 340 6.181 1.908 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.397 2.391 -10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 340 6.935 0.468 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 340 6.633 2.190 -12.276 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.297 1.558 -12.295 1.00 0.00 H new ATOM 673 N VAL A 341 9.810 5.444 -11.246 1.00 0.00 N ATOM 674 CA VAL A 341 10.325 6.848 -11.230 1.00 0.00 C ATOM 675 C VAL A 341 9.594 7.667 -10.152 1.00 0.00 C ATOM 676 O VAL A 341 10.101 7.847 -9.061 1.00 0.00 O ATOM 677 CB VAL A 341 10.051 7.392 -12.640 1.00 0.00 C ATOM 678 CG1 VAL A 341 10.463 8.865 -12.725 1.00 0.00 C ATOM 679 CG2 VAL A 341 10.863 6.584 -13.655 1.00 0.00 C ATOM 0 H VAL A 341 9.261 5.194 -12.069 1.00 0.00 H new ATOM 0 HA VAL A 341 11.386 6.904 -10.987 1.00 0.00 H new ATOM 0 HB VAL A 341 8.986 7.306 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 341 10.265 9.241 -13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 341 9.891 9.445 -12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 341 11.527 8.958 -12.506 1.00 0.00 H new ATOM 0 HG21 VAL A 341 10.673 6.965 -14.659 1.00 0.00 H new ATOM 0 HG22 VAL A 341 11.925 6.675 -13.427 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.570 5.535 -13.603 1.00 0.00 H new ATOM 689 N PHE A 342 8.415 8.163 -10.447 1.00 0.00 N ATOM 690 CA PHE A 342 7.667 8.969 -9.434 1.00 0.00 C ATOM 691 C PHE A 342 6.176 9.032 -9.788 1.00 0.00 C ATOM 692 O PHE A 342 5.483 9.958 -9.410 1.00 0.00 O ATOM 693 CB PHE A 342 8.288 10.364 -9.504 1.00 0.00 C ATOM 694 CG PHE A 342 9.435 10.456 -8.527 1.00 0.00 C ATOM 695 CD1 PHE A 342 9.220 10.195 -7.169 1.00 0.00 C ATOM 696 CD2 PHE A 342 10.714 10.801 -8.980 1.00 0.00 C ATOM 697 CE1 PHE A 342 10.283 10.280 -6.263 1.00 0.00 C ATOM 698 CE2 PHE A 342 11.778 10.886 -8.073 1.00 0.00 C ATOM 699 CZ PHE A 342 11.563 10.625 -6.715 1.00 0.00 C ATOM 0 H PHE A 342 7.941 8.044 -11.343 1.00 0.00 H new ATOM 0 HA PHE A 342 7.736 8.535 -8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 342 8.641 10.566 -10.515 1.00 0.00 H new ATOM 0 HB3 PHE A 342 7.537 11.120 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 342 8.233 9.928 -6.820 1.00 0.00 H new ATOM 0 HD2 PHE A 342 10.880 11.001 -10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 342 10.116 10.080 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 342 12.765 11.153 -8.422 1.00 0.00 H new ATOM 0 HZ PHE A 342 12.384 10.690 -6.016 1.00 0.00 H new ATOM 709 N GLU A 343 5.676 8.055 -10.507 1.00 0.00 N ATOM 710 CA GLU A 343 4.228 8.058 -10.884 1.00 0.00 C ATOM 711 C GLU A 343 3.847 6.730 -11.543 1.00 0.00 C ATOM 712 O GLU A 343 4.610 5.784 -11.539 1.00 0.00 O ATOM 713 CB GLU A 343 4.071 9.209 -11.880 1.00 0.00 C ATOM 714 CG GLU A 343 2.718 9.889 -11.665 1.00 0.00 C ATOM 715 CD GLU A 343 2.846 11.385 -11.960 1.00 0.00 C ATOM 716 OE1 GLU A 343 3.829 11.969 -11.538 1.00 0.00 O ATOM 717 OE2 GLU A 343 1.957 11.920 -12.601 1.00 0.00 O ATOM 0 H GLU A 343 6.209 7.255 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 343 3.582 8.181 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 343 4.877 9.930 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 343 4.143 8.833 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 343 1.967 9.442 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 343 2.382 9.737 -10.639 1.00 0.00 H new ATOM 724 N LEU A 344 2.671 6.662 -12.111 1.00 0.00 N ATOM 725 CA LEU A 344 2.224 5.405 -12.781 1.00 0.00 C ATOM 726 C LEU A 344 2.331 5.529 -14.310 1.00 0.00 C ATOM 727 O LEU A 344 1.930 4.637 -15.033 1.00 0.00 O ATOM 728 CB LEU A 344 0.760 5.233 -12.357 1.00 0.00 C ATOM 729 CG LEU A 344 0.652 4.259 -11.174 1.00 0.00 C ATOM 730 CD1 LEU A 344 1.189 2.883 -11.580 1.00 0.00 C ATOM 731 CD2 LEU A 344 1.459 4.791 -9.984 1.00 0.00 C ATOM 0 H LEU A 344 1.998 7.428 -12.140 1.00 0.00 H new ATOM 0 HA LEU A 344 2.840 4.552 -12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 344 0.340 6.200 -12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 344 0.174 4.860 -13.197 1.00 0.00 H new ATOM 0 HG LEU A 344 -0.396 4.167 -10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 344 1.109 2.198 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 344 0.607 2.498 -12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.234 2.973 -11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 344 1.378 4.095 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 344 2.506 4.893 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 344 1.068 5.764 -9.685 1.00 0.00 H new ATOM 1585 N ASN A 398 8.966 5.364 0.385 1.00 0.00 N ATOM 1586 CA ASN A 398 7.917 4.304 0.305 1.00 0.00 C ATOM 1587 C ASN A 398 6.526 4.931 0.423 1.00 0.00 C ATOM 1588 O ASN A 398 6.278 5.752 1.285 1.00 0.00 O ATOM 1589 CB ASN A 398 8.195 3.385 1.494 1.00 0.00 C ATOM 1590 CG ASN A 398 7.521 2.031 1.261 1.00 0.00 C ATOM 1591 OD1 ASN A 398 6.540 1.943 0.549 1.00 0.00 O ATOM 1592 ND2 ASN A 398 8.009 0.966 1.833 1.00 0.00 N ATOM 0 HA ASN A 398 7.943 3.764 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 398 9.269 3.251 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 398 7.820 3.837 2.412 1.00 0.00 H new ATOM 0 HD21 ASN A 398 7.567 0.059 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 398 8.832 1.040 2.431 1.00 0.00 H new ATOM 1599 N TRP A 399 5.618 4.546 -0.439 1.00 0.00 N ATOM 1600 CA TRP A 399 4.237 5.116 -0.384 1.00 0.00 C ATOM 1601 C TRP A 399 3.249 4.188 -1.100 1.00 0.00 C ATOM 1602 O TRP A 399 2.275 4.633 -1.677 1.00 0.00 O ATOM 1603 CB TRP A 399 4.326 6.474 -1.095 1.00 0.00 C ATOM 1604 CG TRP A 399 4.829 6.296 -2.496 1.00 0.00 C ATOM 1605 CD1 TRP A 399 6.115 6.047 -2.833 1.00 0.00 C ATOM 1606 CD2 TRP A 399 4.081 6.349 -3.746 1.00 0.00 C ATOM 1607 NE1 TRP A 399 6.205 5.945 -4.209 1.00 0.00 N ATOM 1608 CE2 TRP A 399 4.978 6.123 -4.817 1.00 0.00 C ATOM 1609 CE3 TRP A 399 2.726 6.569 -4.050 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 4.546 6.116 -6.143 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 2.287 6.563 -5.385 1.00 0.00 C ATOM 1612 CH2 TRP A 399 3.195 6.337 -6.428 1.00 0.00 C ATOM 0 H TRP A 399 5.774 3.861 -1.179 1.00 0.00 H new ATOM 0 HA TRP A 399 3.880 5.224 0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 399 3.345 6.949 -1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 399 4.992 7.138 -0.544 1.00 0.00 H new ATOM 0 HD1 TRP A 399 6.937 5.945 -2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 399 7.072 5.761 -4.714 1.00 0.00 H new ATOM 0 HE3 TRP A 399 2.018 6.744 -3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 5.250 5.941 -6.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 1.244 6.733 -5.608 1.00 0.00 H new ATOM 0 HH2 TRP A 399 2.851 6.334 -7.452 1.00 0.00 H new ATOM 1623 N GLY A 400 3.495 2.902 -1.060 1.00 0.00 N ATOM 1624 CA GLY A 400 2.575 1.938 -1.732 1.00 0.00 C ATOM 1625 C GLY A 400 1.996 0.979 -0.692 1.00 0.00 C ATOM 1626 O GLY A 400 1.650 1.376 0.405 1.00 0.00 O ATOM 0 H GLY A 400 4.295 2.479 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 400 1.771 2.476 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.112 1.379 -2.498 1.00 0.00 H new ATOM 1630 N ASN A 401 1.891 -0.280 -1.031 1.00 0.00 N ATOM 1631 CA ASN A 401 1.337 -1.277 -0.067 1.00 0.00 C ATOM 1632 C ASN A 401 2.051 -2.623 -0.233 1.00 0.00 C ATOM 1633 O ASN A 401 2.687 -2.875 -1.238 1.00 0.00 O ATOM 1634 CB ASN A 401 -0.151 -1.401 -0.421 1.00 0.00 C ATOM 1635 CG ASN A 401 -0.309 -1.841 -1.881 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -0.037 -1.083 -2.790 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -0.742 -3.044 -2.143 1.00 0.00 N ATOM 0 H ASN A 401 2.166 -0.661 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 401 1.477 -0.970 0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.631 -2.124 0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.651 -0.445 -0.265 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.852 -3.347 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.971 -3.681 -1.380 1.00 0.00 H new ATOM 1644 N TYR A 402 1.951 -3.483 0.749 1.00 0.00 N ATOM 1645 CA TYR A 402 2.627 -4.812 0.654 1.00 0.00 C ATOM 1646 C TYR A 402 1.636 -5.936 0.970 1.00 0.00 C ATOM 1647 O TYR A 402 1.040 -5.969 2.030 1.00 0.00 O ATOM 1648 CB TYR A 402 3.735 -4.769 1.707 1.00 0.00 C ATOM 1649 CG TYR A 402 4.795 -3.778 1.287 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.554 -2.404 1.400 1.00 0.00 C ATOM 1651 CD2 TYR A 402 6.020 -4.235 0.786 1.00 0.00 C ATOM 1652 CE1 TYR A 402 5.536 -1.487 1.010 1.00 0.00 C ATOM 1653 CE2 TYR A 402 7.003 -3.317 0.397 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.761 -1.943 0.509 1.00 0.00 C ATOM 1655 OH TYR A 402 7.730 -1.039 0.125 1.00 0.00 O ATOM 0 H TYR A 402 1.431 -3.322 1.612 1.00 0.00 H new ATOM 0 HA TYR A 402 3.018 -5.003 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.320 -4.485 2.674 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.175 -5.759 1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.610 -2.052 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 402 6.207 -5.295 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 402 5.349 -0.427 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.948 -3.669 0.011 1.00 0.00 H new ATOM 0 HH TYR A 402 8.584 -1.279 0.541 1.00 0.00 H new ATOM 1665 N ASN A 403 1.464 -6.861 0.059 1.00 0.00 N ATOM 1666 CA ASN A 403 0.520 -7.992 0.303 1.00 0.00 C ATOM 1667 C ASN A 403 1.285 -9.186 0.885 1.00 0.00 C ATOM 1668 O ASN A 403 2.292 -9.604 0.344 1.00 0.00 O ATOM 1669 CB ASN A 403 -0.074 -8.332 -1.071 1.00 0.00 C ATOM 1670 CG ASN A 403 1.033 -8.765 -2.041 1.00 0.00 C ATOM 1671 OD1 ASN A 403 2.155 -8.308 -1.951 1.00 0.00 O ATOM 1672 ND2 ASN A 403 0.759 -9.636 -2.974 1.00 0.00 N ATOM 0 H ASN A 403 1.938 -6.881 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 403 -0.263 -7.736 1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -0.809 -9.130 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -0.599 -7.465 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 403 1.486 -9.931 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -0.182 -10.021 -3.052 1.00 0.00 H new ATOM 1679 N THR A 404 0.824 -9.726 1.985 1.00 0.00 N ATOM 1680 CA THR A 404 1.538 -10.884 2.600 1.00 0.00 C ATOM 1681 C THR A 404 1.006 -12.206 2.043 1.00 0.00 C ATOM 1682 O THR A 404 0.156 -12.844 2.633 1.00 0.00 O ATOM 1683 CB THR A 404 1.245 -10.778 4.098 1.00 0.00 C ATOM 1684 OG1 THR A 404 -0.143 -10.551 4.294 1.00 0.00 O ATOM 1685 CG2 THR A 404 2.044 -9.617 4.694 1.00 0.00 C ATOM 0 H THR A 404 -0.012 -9.416 2.481 1.00 0.00 H new ATOM 0 HA THR A 404 2.607 -10.864 2.387 1.00 0.00 H new ATOM 0 HB THR A 404 1.533 -11.706 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 404 -0.658 -11.213 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 404 1.835 -9.542 5.761 1.00 0.00 H new ATOM 0 HG22 THR A 404 3.109 -9.794 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 404 1.758 -8.688 4.202 1.00 0.00 H new ATOM 1693 N GLU A 405 1.527 -12.627 0.920 1.00 0.00 N ATOM 1694 CA GLU A 405 1.088 -13.919 0.317 1.00 0.00 C ATOM 1695 C GLU A 405 2.303 -14.838 0.163 1.00 0.00 C ATOM 1696 O GLU A 405 2.407 -15.865 0.808 1.00 0.00 O ATOM 1697 CB GLU A 405 0.505 -13.550 -1.049 1.00 0.00 C ATOM 1698 CG GLU A 405 -0.004 -14.812 -1.747 1.00 0.00 C ATOM 1699 CD GLU A 405 -1.334 -15.240 -1.122 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -2.148 -14.370 -0.858 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -1.515 -16.429 -0.917 1.00 0.00 O ATOM 0 H GLU A 405 2.242 -12.127 0.392 1.00 0.00 H new ATOM 0 HA GLU A 405 0.355 -14.445 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -0.309 -12.836 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 405 1.265 -13.065 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -0.135 -14.623 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 405 0.729 -15.613 -1.653 1.00 0.00 H new ATOM 1708 N THR A 406 3.229 -14.456 -0.678 1.00 0.00 N ATOM 1709 CA THR A 406 4.460 -15.274 -0.880 1.00 0.00 C ATOM 1710 C THR A 406 5.690 -14.431 -0.541 1.00 0.00 C ATOM 1711 O THR A 406 6.369 -14.666 0.440 1.00 0.00 O ATOM 1712 CB THR A 406 4.451 -15.646 -2.364 1.00 0.00 C ATOM 1713 OG1 THR A 406 4.163 -14.491 -3.138 1.00 0.00 O ATOM 1714 CG2 THR A 406 3.387 -16.714 -2.620 1.00 0.00 C ATOM 0 H THR A 406 3.184 -13.605 -1.238 1.00 0.00 H new ATOM 0 HA THR A 406 4.488 -16.160 -0.246 1.00 0.00 H new ATOM 0 HB THR A 406 5.428 -16.038 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 406 4.159 -14.727 -4.089 1.00 0.00 H new ATOM 0 HG21 THR A 406 3.383 -16.977 -3.678 1.00 0.00 H new ATOM 0 HG22 THR A 406 3.611 -17.600 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 406 2.408 -16.327 -2.338 1.00 0.00 H new ATOM 1722 N GLN A 407 5.974 -13.439 -1.351 1.00 0.00 N ATOM 1723 CA GLN A 407 7.152 -12.553 -1.095 1.00 0.00 C ATOM 1724 C GLN A 407 7.147 -11.386 -2.088 1.00 0.00 C ATOM 1725 O GLN A 407 8.094 -11.182 -2.826 1.00 0.00 O ATOM 1726 CB GLN A 407 8.383 -13.439 -1.313 1.00 0.00 C ATOM 1727 CG GLN A 407 9.604 -12.783 -0.661 1.00 0.00 C ATOM 1728 CD GLN A 407 10.881 -13.422 -1.209 1.00 0.00 C ATOM 1729 OE1 GLN A 407 11.507 -12.886 -2.102 1.00 0.00 O ATOM 1730 NE2 GLN A 407 11.297 -14.553 -0.708 1.00 0.00 N ATOM 0 H GLN A 407 5.435 -13.204 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 407 7.139 -12.126 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.214 -14.427 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 407 8.559 -13.581 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.605 -11.712 -0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 407 9.560 -12.904 0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 407 10.771 -15.003 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 407 12.148 -14.987 -1.066 1.00 0.00 H new ATOM 1739 N LYS A 408 6.082 -10.622 -2.116 1.00 0.00 N ATOM 1740 CA LYS A 408 6.007 -9.469 -3.068 1.00 0.00 C ATOM 1741 C LYS A 408 5.160 -8.333 -2.488 1.00 0.00 C ATOM 1742 O LYS A 408 4.639 -8.426 -1.394 1.00 0.00 O ATOM 1743 CB LYS A 408 5.343 -10.027 -4.332 1.00 0.00 C ATOM 1744 CG LYS A 408 3.979 -10.637 -3.988 1.00 0.00 C ATOM 1745 CD LYS A 408 3.141 -10.765 -5.261 1.00 0.00 C ATOM 1746 CE LYS A 408 2.133 -11.906 -5.099 1.00 0.00 C ATOM 1747 NZ LYS A 408 1.991 -12.488 -6.462 1.00 0.00 N ATOM 0 H LYS A 408 5.262 -10.746 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 408 6.995 -9.055 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 408 5.219 -9.232 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 408 5.984 -10.783 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 408 4.112 -11.616 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.462 -10.011 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 408 2.618 -9.830 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 408 3.788 -10.957 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.490 -12.650 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 408 1.177 -11.539 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 1.052 -12.924 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 2.098 -11.737 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 2.725 -13.210 -6.609 1.00 0.00 H new ATOM 1761 N CYS A 409 5.018 -7.263 -3.230 1.00 0.00 N ATOM 1762 CA CYS A 409 4.201 -6.108 -2.752 1.00 0.00 C ATOM 1763 C CYS A 409 3.609 -5.356 -3.949 1.00 0.00 C ATOM 1764 O CYS A 409 3.940 -5.634 -5.088 1.00 0.00 O ATOM 1765 CB CYS A 409 5.172 -5.217 -1.963 1.00 0.00 C ATOM 1766 SG CYS A 409 6.541 -4.674 -3.024 1.00 0.00 S ATOM 0 H CYS A 409 5.436 -7.140 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 409 3.362 -6.422 -2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 409 4.642 -4.349 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 409 5.564 -5.765 -1.106 1.00 0.00 H new ATOM 1771 N GLU A 410 2.735 -4.412 -3.704 1.00 0.00 N ATOM 1772 CA GLU A 410 2.120 -3.648 -4.831 1.00 0.00 C ATOM 1773 C GLU A 410 2.160 -2.145 -4.543 1.00 0.00 C ATOM 1774 O GLU A 410 2.298 -1.722 -3.411 1.00 0.00 O ATOM 1775 CB GLU A 410 0.673 -4.143 -4.901 1.00 0.00 C ATOM 1776 CG GLU A 410 0.532 -5.161 -6.036 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.706 -6.027 -5.794 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -0.688 -6.800 -4.849 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.649 -5.905 -6.557 1.00 0.00 O ATOM 0 H GLU A 410 2.421 -4.138 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 410 2.651 -3.802 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.388 -4.599 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -0.002 -3.303 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.447 -4.646 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 410 1.422 -5.788 -6.090 1.00 0.00 H new ATOM 1786 N ILE A 411 2.039 -1.338 -5.566 1.00 0.00 N ATOM 1787 CA ILE A 411 2.067 0.142 -5.371 1.00 0.00 C ATOM 1788 C ILE A 411 1.139 0.816 -6.391 1.00 0.00 C ATOM 1789 O ILE A 411 1.060 0.411 -7.534 1.00 0.00 O ATOM 1790 CB ILE A 411 3.543 0.532 -5.582 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.770 2.020 -5.220 1.00 0.00 C ATOM 1792 CG2 ILE A 411 3.974 0.252 -7.031 1.00 0.00 C ATOM 1793 CD1 ILE A 411 3.140 2.973 -6.252 1.00 0.00 C ATOM 0 H ILE A 411 1.921 -1.643 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 411 1.715 0.457 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 411 4.158 -0.077 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 411 3.346 2.221 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.840 2.216 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.019 0.534 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.855 -0.810 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 411 3.354 0.833 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 411 3.326 4.005 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 411 3.582 2.792 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 411 2.065 2.797 -6.301 1.00 0.00 H new ATOM 1805 N PHE A 412 0.441 1.843 -5.977 1.00 0.00 N ATOM 1806 CA PHE A 412 -0.485 2.556 -6.910 1.00 0.00 C ATOM 1807 C PHE A 412 -0.976 3.860 -6.273 1.00 0.00 C ATOM 1808 O PHE A 412 -0.415 4.333 -5.302 1.00 0.00 O ATOM 1809 CB PHE A 412 -1.654 1.588 -7.144 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.316 1.240 -5.829 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.337 2.054 -5.323 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -1.911 0.104 -5.118 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -3.952 1.733 -4.107 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -2.524 -0.217 -3.903 1.00 0.00 C ATOM 1815 CZ PHE A 412 -3.545 0.597 -3.396 1.00 0.00 C ATOM 0 H PHE A 412 0.472 2.220 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 412 0.003 2.826 -7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -2.382 2.041 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.293 0.681 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -3.650 2.930 -5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -1.124 -0.525 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.740 2.361 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -2.210 -1.093 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.018 0.349 -2.457 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.018 4.440 -6.812 1.00 0.00 N ATOM 1826 CA ASN A 413 -2.550 5.718 -6.239 1.00 0.00 C ATOM 1827 C ASN A 413 -2.989 5.504 -4.787 1.00 0.00 C ATOM 1828 O ASN A 413 -2.682 4.494 -4.181 1.00 0.00 O ATOM 1829 CB ASN A 413 -3.754 6.081 -7.111 1.00 0.00 C ATOM 1830 CG ASN A 413 -3.285 6.353 -8.541 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -3.197 5.448 -9.346 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -2.978 7.572 -8.894 1.00 0.00 N ATOM 0 H ASN A 413 -2.524 4.086 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 413 -1.799 6.508 -6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -4.480 5.268 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -4.256 6.961 -6.708 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -2.664 7.764 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -3.052 8.333 -8.218 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.704 6.447 -4.230 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.168 6.307 -2.817 1.00 0.00 C ATOM 1841 C VAL A 414 -5.690 6.134 -2.772 1.00 0.00 C ATOM 1842 O VAL A 414 -6.407 6.670 -3.597 1.00 0.00 O ATOM 1843 CB VAL A 414 -3.747 7.607 -2.121 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -2.224 7.736 -2.164 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -4.377 8.810 -2.831 1.00 0.00 C ATOM 0 H VAL A 414 -3.987 7.310 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.737 5.433 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.087 7.583 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.923 8.660 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -1.772 6.886 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.890 7.754 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -4.072 9.729 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.044 8.835 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -5.463 8.723 -2.800 1.00 0.00 H new ATOM 1855 N LYS A 415 -6.183 5.391 -1.814 1.00 0.00 N ATOM 1856 CA LYS A 415 -7.658 5.178 -1.708 1.00 0.00 C ATOM 1857 C LYS A 415 -8.132 5.487 -0.277 1.00 0.00 C ATOM 1858 O LYS A 415 -7.394 5.290 0.668 1.00 0.00 O ATOM 1859 CB LYS A 415 -7.874 3.694 -2.041 1.00 0.00 C ATOM 1860 CG LYS A 415 -8.713 3.565 -3.317 1.00 0.00 C ATOM 1861 CD LYS A 415 -7.795 3.605 -4.540 1.00 0.00 C ATOM 1862 CE LYS A 415 -8.533 3.029 -5.751 1.00 0.00 C ATOM 1863 NZ LYS A 415 -8.035 3.818 -6.913 1.00 0.00 N ATOM 0 H LYS A 415 -5.626 4.922 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 415 -8.220 5.828 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -6.913 3.198 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -8.377 3.195 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -9.275 2.631 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -9.441 4.375 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -7.486 4.630 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -6.888 3.031 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -8.321 1.967 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -9.613 3.128 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -8.495 3.482 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -8.257 4.824 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -7.005 3.699 -6.998 1.00 0.00 H new ATOM 1877 N PRO A 416 -9.353 5.966 -0.155 1.00 0.00 N ATOM 1878 CA PRO A 416 -9.896 6.295 1.184 1.00 0.00 C ATOM 1879 C PRO A 416 -10.287 5.019 1.946 1.00 0.00 C ATOM 1880 O PRO A 416 -9.550 4.550 2.792 1.00 0.00 O ATOM 1881 CB PRO A 416 -11.111 7.170 0.877 1.00 0.00 C ATOM 1882 CG PRO A 416 -11.531 6.809 -0.516 1.00 0.00 C ATOM 1883 CD PRO A 416 -10.326 6.243 -1.227 1.00 0.00 C ATOM 0 HA PRO A 416 -9.175 6.801 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -11.916 6.986 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -10.859 8.228 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -12.340 6.079 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -11.908 7.687 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -10.580 5.336 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -9.925 6.952 -1.952 1.00 0.00 H new ATOM 1891 N THR A 417 -11.435 4.456 1.656 1.00 0.00 N ATOM 1892 CA THR A 417 -11.867 3.214 2.366 1.00 0.00 C ATOM 1893 C THR A 417 -11.927 2.039 1.387 1.00 0.00 C ATOM 1894 O THR A 417 -12.734 2.021 0.476 1.00 0.00 O ATOM 1895 CB THR A 417 -13.262 3.533 2.907 1.00 0.00 C ATOM 1896 OG1 THR A 417 -13.269 4.846 3.451 1.00 0.00 O ATOM 1897 CG2 THR A 417 -13.633 2.525 3.996 1.00 0.00 C ATOM 0 H THR A 417 -12.091 4.804 0.957 1.00 0.00 H new ATOM 0 HA THR A 417 -11.176 2.930 3.160 1.00 0.00 H new ATOM 0 HB THR A 417 -13.988 3.471 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 417 -14.163 5.052 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 417 -14.627 2.754 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 417 -13.629 1.519 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 417 -12.908 2.583 4.808 1.00 0.00 H new ATOM 1905 N CYS A 418 -11.078 1.060 1.569 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.078 -0.120 0.654 1.00 0.00 C ATOM 1907 C CYS A 418 -10.482 -1.339 1.364 1.00 0.00 C ATOM 1908 O CYS A 418 -9.820 -1.215 2.376 1.00 0.00 O ATOM 1909 CB CYS A 418 -10.202 0.296 -0.528 1.00 0.00 C ATOM 1910 SG CYS A 418 -10.399 -0.896 -1.875 1.00 0.00 S ATOM 0 H CYS A 418 -10.383 1.027 2.315 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.083 -0.398 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -10.481 1.294 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -9.157 0.344 -0.221 1.00 0.00 H new ATOM 1915 N LEU A 419 -10.717 -2.514 0.838 1.00 0.00 N ATOM 1916 CA LEU A 419 -10.171 -3.751 1.475 1.00 0.00 C ATOM 1917 C LEU A 419 -9.573 -4.679 0.411 1.00 0.00 C ATOM 1918 O LEU A 419 -10.079 -5.756 0.159 1.00 0.00 O ATOM 1919 CB LEU A 419 -11.368 -4.416 2.166 1.00 0.00 C ATOM 1920 CG LEU A 419 -12.478 -4.693 1.142 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -13.125 -6.048 1.438 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -13.541 -3.595 1.231 1.00 0.00 C ATOM 0 H LEU A 419 -11.265 -2.671 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 419 -9.372 -3.528 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -11.055 -5.348 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.746 -3.770 2.959 1.00 0.00 H new ATOM 0 HG LEU A 419 -12.048 -4.706 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -13.912 -6.242 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -12.371 -6.833 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -13.553 -6.036 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -14.329 -3.792 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -13.968 -3.582 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -13.084 -2.628 1.018 1.00 0.00 H new ATOM 1934 N ILE A 420 -8.499 -4.265 -0.212 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.860 -5.116 -1.261 1.00 0.00 C ATOM 1936 C ILE A 420 -6.402 -5.408 -0.888 1.00 0.00 C ATOM 1937 O ILE A 420 -5.913 -6.505 -1.080 1.00 0.00 O ATOM 1938 CB ILE A 420 -7.934 -4.286 -2.549 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -9.400 -3.995 -2.885 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -7.294 -5.064 -3.704 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -9.472 -3.038 -4.077 1.00 0.00 C ATOM 0 H ILE A 420 -8.036 -3.373 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 420 -8.358 -6.079 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.398 -3.348 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -9.921 -4.923 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -9.901 -3.556 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.349 -4.471 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.250 -5.272 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -7.827 -6.004 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -10.515 -2.832 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -8.966 -2.106 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.986 -3.494 -4.940 1.00 0.00 H new ATOM 1953 N ASN A 421 -5.710 -4.432 -0.358 1.00 0.00 N ATOM 1954 CA ASN A 421 -4.282 -4.644 0.028 1.00 0.00 C ATOM 1955 C ASN A 421 -4.177 -4.961 1.522 1.00 0.00 C ATOM 1956 O ASN A 421 -5.088 -4.701 2.285 1.00 0.00 O ATOM 1957 CB ASN A 421 -3.585 -3.321 -0.291 1.00 0.00 C ATOM 1958 CG ASN A 421 -3.679 -3.043 -1.792 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -3.182 -3.806 -2.596 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -4.303 -1.974 -2.209 1.00 0.00 N ATOM 0 H ASN A 421 -6.073 -3.496 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 421 -3.831 -5.481 -0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -4.049 -2.509 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.540 -3.365 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -4.372 -1.781 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -4.721 -1.332 -1.535 1.00 0.00 H new ATOM 1967 N ASN A 422 -3.070 -5.522 1.940 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.895 -5.861 3.384 1.00 0.00 C ATOM 1969 C ASN A 422 -2.290 -4.673 4.136 1.00 0.00 C ATOM 1970 O ASN A 422 -2.908 -4.107 5.017 1.00 0.00 O ATOM 1971 CB ASN A 422 -1.934 -7.051 3.396 1.00 0.00 C ATOM 1972 CG ASN A 422 -1.796 -7.581 4.824 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -1.429 -6.852 5.723 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -2.075 -8.832 5.071 1.00 0.00 N ATOM 0 H ASN A 422 -2.279 -5.760 1.342 1.00 0.00 H new ATOM 0 HA ASN A 422 -3.841 -6.096 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -2.305 -7.838 2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -0.959 -6.749 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -1.985 -9.197 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.383 -9.444 4.316 1.00 0.00 H new ATOM 1981 N SER A 423 -1.085 -4.293 3.792 1.00 0.00 N ATOM 1982 CA SER A 423 -0.431 -3.141 4.481 1.00 0.00 C ATOM 1983 C SER A 423 -0.199 -1.999 3.490 1.00 0.00 C ATOM 1984 O SER A 423 0.373 -2.191 2.434 1.00 0.00 O ATOM 1985 CB SER A 423 0.901 -3.687 4.992 1.00 0.00 C ATOM 1986 OG SER A 423 1.496 -4.494 3.985 1.00 0.00 O ATOM 0 H SER A 423 -0.525 -4.733 3.061 1.00 0.00 H new ATOM 0 HA SER A 423 -1.043 -2.742 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.567 -2.865 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.743 -4.273 5.898 1.00 0.00 H new ATOM 0 HG SER A 423 0.956 -5.301 3.851 1.00 0.00 H new ATOM 1992 N SER A 424 -0.639 -0.812 3.826 1.00 0.00 N ATOM 1993 CA SER A 424 -0.448 0.351 2.908 1.00 0.00 C ATOM 1994 C SER A 424 0.384 1.437 3.598 1.00 0.00 C ATOM 1995 O SER A 424 -0.143 2.290 4.287 1.00 0.00 O ATOM 1996 CB SER A 424 -1.859 0.862 2.615 1.00 0.00 C ATOM 1997 OG SER A 424 -2.514 1.160 3.840 1.00 0.00 O ATOM 0 H SER A 424 -1.123 -0.599 4.698 1.00 0.00 H new ATOM 0 HA SER A 424 0.082 0.075 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.813 1.752 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 424 -2.423 0.111 2.061 1.00 0.00 H new ATOM 0 HG SER A 424 -1.881 1.589 4.453 1.00 0.00 H new ATOM 2003 N TYR A 425 1.680 1.408 3.416 1.00 0.00 N ATOM 2004 CA TYR A 425 2.555 2.435 4.057 1.00 0.00 C ATOM 2005 C TYR A 425 2.632 3.688 3.181 1.00 0.00 C ATOM 2006 O TYR A 425 3.307 3.706 2.169 1.00 0.00 O ATOM 2007 CB TYR A 425 3.928 1.771 4.165 1.00 0.00 C ATOM 2008 CG TYR A 425 4.695 2.381 5.314 1.00 0.00 C ATOM 2009 CD1 TYR A 425 4.193 2.292 6.617 1.00 0.00 C ATOM 2010 CD2 TYR A 425 5.910 3.034 5.075 1.00 0.00 C ATOM 2011 CE1 TYR A 425 4.905 2.857 7.683 1.00 0.00 C ATOM 2012 CE2 TYR A 425 6.622 3.600 6.140 1.00 0.00 C ATOM 2013 CZ TYR A 425 6.119 3.511 7.443 1.00 0.00 C ATOM 2014 OH TYR A 425 6.822 4.068 8.493 1.00 0.00 O ATOM 0 H TYR A 425 2.170 0.716 2.850 1.00 0.00 H new ATOM 0 HA TYR A 425 2.176 2.752 5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.813 0.698 4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.481 1.902 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 425 3.256 1.787 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 425 6.298 3.101 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 425 4.518 2.788 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 425 7.559 4.105 5.956 1.00 0.00 H new ATOM 0 HH TYR A 425 7.643 4.482 8.154 1.00 0.00 H new ATOM 2024 N ILE A 426 1.945 4.734 3.566 1.00 0.00 N ATOM 2025 CA ILE A 426 1.973 5.992 2.761 1.00 0.00 C ATOM 2026 C ILE A 426 2.779 7.067 3.499 1.00 0.00 C ATOM 2027 O ILE A 426 2.254 8.091 3.892 1.00 0.00 O ATOM 2028 CB ILE A 426 0.504 6.411 2.622 1.00 0.00 C ATOM 2029 CG1 ILE A 426 -0.277 5.306 1.905 1.00 0.00 C ATOM 2030 CG2 ILE A 426 0.410 7.704 1.806 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -1.777 5.589 2.012 1.00 0.00 C ATOM 0 H ILE A 426 1.365 4.770 4.404 1.00 0.00 H new ATOM 0 HA ILE A 426 2.445 5.854 1.788 1.00 0.00 H new ATOM 0 HB ILE A 426 0.083 6.575 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.021 5.257 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 426 -0.046 4.337 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 426 -0.635 7.998 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 426 0.964 8.495 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 426 0.834 7.541 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -2.333 4.803 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -2.068 5.616 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -2.000 6.550 1.549 1.00 0.00 H new ATOM 2043 N ALA A 427 4.054 6.836 3.687 1.00 0.00 N ATOM 2044 CA ALA A 427 4.907 7.835 4.397 1.00 0.00 C ATOM 2045 C ALA A 427 6.331 7.808 3.835 1.00 0.00 C ATOM 2046 O ALA A 427 7.099 6.906 4.113 1.00 0.00 O ATOM 2047 CB ALA A 427 4.900 7.394 5.861 1.00 0.00 C ATOM 0 H ALA A 427 4.542 5.995 3.378 1.00 0.00 H new ATOM 0 HA ALA A 427 4.537 8.853 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 427 5.507 8.081 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 427 3.877 7.399 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 427 5.310 6.387 5.940 1.00 0.00 H new