USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 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 423 SER OG : rot 69:sc= -0.569 USER MOD Set 1.2: A 425 TYR OH : rot 130:sc= -0.801 USER MOD Set 2.1: A 403 ASN : amide:sc= 0 X(o=-0.1,f=0.17) USER MOD Set 2.2: A 422 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.74) USER MOD Set 3.1: A 338 ASN : amide:sc= -1.73 K(o=-0.52,f=-3.7!) USER MOD Set 3.2: A 402 TYR OH : rot 127:sc= 1.21 USER MOD Single : A 325 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 327 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 339 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.443) USER MOD Single : A 398 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.76) USER MOD Single : A 401 ASN : amide:sc= -4.55 K(o=-4.5,f=-14!) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 408 LYS NZ :NH3+ 173:sc= -1.43 (180deg=-1.53) USER MOD Single : A 413 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.6!) USER MOD Single : A 415 LYS NZ :NH3+ 143:sc= -0.0226 (180deg=-0.141) USER MOD Single : A 417 THR OG1 : rot -53:sc= 0.686 USER MOD Single : A 421 ASN : amide:sc= -0.656 K(o=-0.66,f=-1.5!) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -17.822 -2.431 -3.574 1.00 0.00 N ATOM 348 CA CYS A 320 -16.771 -1.604 -4.243 1.00 0.00 C ATOM 349 C CYS A 320 -16.623 -2.025 -5.708 1.00 0.00 C ATOM 350 O CYS A 320 -16.920 -3.147 -6.072 1.00 0.00 O ATOM 351 CB CYS A 320 -15.479 -1.890 -3.461 1.00 0.00 C ATOM 352 SG CYS A 320 -14.660 -0.335 -3.024 1.00 0.00 S ATOM 0 HA CYS A 320 -17.016 -0.542 -4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -15.709 -2.455 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -14.810 -2.506 -4.061 1.00 0.00 H new ATOM 357 N GLU A 321 -16.162 -1.132 -6.547 1.00 0.00 N ATOM 358 CA GLU A 321 -15.987 -1.473 -7.992 1.00 0.00 C ATOM 359 C GLU A 321 -14.701 -2.280 -8.188 1.00 0.00 C ATOM 360 O GLU A 321 -13.898 -2.410 -7.284 1.00 0.00 O ATOM 361 CB GLU A 321 -15.893 -0.127 -8.712 1.00 0.00 C ATOM 362 CG GLU A 321 -15.965 -0.352 -10.225 1.00 0.00 C ATOM 363 CD GLU A 321 -16.686 0.825 -10.884 1.00 0.00 C ATOM 364 OE1 GLU A 321 -16.107 1.898 -10.931 1.00 0.00 O ATOM 365 OE2 GLU A 321 -17.805 0.634 -11.331 1.00 0.00 O ATOM 0 H GLU A 321 -15.899 -0.180 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 321 -16.807 -2.080 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -16.704 0.526 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -14.960 0.372 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -14.961 -0.453 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -16.492 -1.281 -10.440 1.00 0.00 H new ATOM 372 N ASP A 322 -14.502 -2.824 -9.364 1.00 0.00 N ATOM 373 CA ASP A 322 -13.266 -3.630 -9.628 1.00 0.00 C ATOM 374 C ASP A 322 -12.009 -2.807 -9.321 1.00 0.00 C ATOM 375 O ASP A 322 -11.947 -1.625 -9.603 1.00 0.00 O ATOM 376 CB ASP A 322 -13.323 -3.978 -11.117 1.00 0.00 C ATOM 377 CG ASP A 322 -14.531 -4.877 -11.386 1.00 0.00 C ATOM 378 OD1 ASP A 322 -15.642 -4.426 -11.160 1.00 0.00 O ATOM 379 OD2 ASP A 322 -14.325 -6.001 -11.814 1.00 0.00 O ATOM 0 H ASP A 322 -15.142 -2.745 -10.154 1.00 0.00 H new ATOM 0 HA ASP A 322 -13.222 -4.520 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -13.395 -3.067 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -12.406 -4.484 -11.418 1.00 0.00 H new ATOM 384 N ILE A 323 -11.012 -3.427 -8.743 1.00 0.00 N ATOM 385 CA ILE A 323 -9.752 -2.689 -8.408 1.00 0.00 C ATOM 386 C ILE A 323 -9.135 -2.073 -9.676 1.00 0.00 C ATOM 387 O ILE A 323 -9.291 -2.610 -10.755 1.00 0.00 O ATOM 388 CB ILE A 323 -8.810 -3.737 -7.803 1.00 0.00 C ATOM 389 CG1 ILE A 323 -8.580 -4.872 -8.808 1.00 0.00 C ATOM 390 CG2 ILE A 323 -9.433 -4.308 -6.530 1.00 0.00 C ATOM 391 CD1 ILE A 323 -7.378 -5.710 -8.365 1.00 0.00 C ATOM 0 H ILE A 323 -11.014 -4.414 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 323 -9.937 -1.867 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 323 -7.856 -3.266 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -9.469 -5.499 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -8.404 -4.462 -9.802 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -8.764 -5.053 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -9.592 -3.505 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -10.388 -4.774 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -7.214 -6.517 -9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -6.491 -5.079 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -7.572 -6.132 -7.379 1.00 0.00 H new ATOM 403 N PRO A 324 -8.450 -0.962 -9.512 1.00 0.00 N ATOM 404 CA PRO A 324 -7.815 -0.293 -10.675 1.00 0.00 C ATOM 405 C PRO A 324 -6.601 -1.094 -11.155 1.00 0.00 C ATOM 406 O PRO A 324 -6.422 -2.240 -10.792 1.00 0.00 O ATOM 407 CB PRO A 324 -7.386 1.065 -10.120 1.00 0.00 C ATOM 408 CG PRO A 324 -7.229 0.850 -8.650 1.00 0.00 C ATOM 409 CD PRO A 324 -8.199 -0.232 -8.256 1.00 0.00 C ATOM 0 HA PRO A 324 -8.480 -0.205 -11.534 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.452 1.399 -10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.133 1.831 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -6.207 0.557 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -7.434 1.770 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -7.779 -0.886 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.119 0.186 -7.847 1.00 0.00 H new ATOM 417 N HIS A 325 -5.771 -0.496 -11.973 1.00 0.00 N ATOM 418 CA HIS A 325 -4.567 -1.216 -12.485 1.00 0.00 C ATOM 419 C HIS A 325 -3.334 -0.845 -11.656 1.00 0.00 C ATOM 420 O HIS A 325 -2.667 0.137 -11.926 1.00 0.00 O ATOM 421 CB HIS A 325 -4.405 -0.739 -13.929 1.00 0.00 C ATOM 422 CG HIS A 325 -3.694 -1.796 -14.728 1.00 0.00 C ATOM 423 ND1 HIS A 325 -3.837 -1.906 -16.103 1.00 0.00 N ATOM 424 CD2 HIS A 325 -2.832 -2.800 -14.360 1.00 0.00 C ATOM 425 CE1 HIS A 325 -3.078 -2.941 -16.508 1.00 0.00 C ATOM 426 NE2 HIS A 325 -2.444 -3.520 -15.485 1.00 0.00 N ATOM 0 H HIS A 325 -5.876 0.462 -12.308 1.00 0.00 H new ATOM 0 HA HIS A 325 -4.677 -2.299 -12.422 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -5.382 -0.532 -14.367 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -3.840 0.193 -13.954 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -2.505 -3.000 -13.350 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -2.992 -3.264 -17.535 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -1.811 -4.319 -15.521 1.00 0.00 H new ATOM 434 N VAL A 326 -3.025 -1.629 -10.654 1.00 0.00 N ATOM 435 CA VAL A 326 -1.831 -1.331 -9.804 1.00 0.00 C ATOM 436 C VAL A 326 -0.605 -2.079 -10.334 1.00 0.00 C ATOM 437 O VAL A 326 -0.726 -3.043 -11.065 1.00 0.00 O ATOM 438 CB VAL A 326 -2.192 -1.815 -8.393 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.408 -1.035 -7.882 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.523 -3.313 -8.414 1.00 0.00 C ATOM 0 H VAL A 326 -3.548 -2.463 -10.387 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.585 -0.269 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.340 -1.648 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.665 -1.378 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.172 0.029 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.253 -1.200 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.777 -3.644 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.369 -3.489 -9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.658 -3.872 -8.772 1.00 0.00 H new ATOM 450 N ASN A 327 0.571 -1.638 -9.969 1.00 0.00 N ATOM 451 CA ASN A 327 1.811 -2.321 -10.447 1.00 0.00 C ATOM 452 C ASN A 327 2.233 -3.399 -9.449 1.00 0.00 C ATOM 453 O ASN A 327 2.744 -3.107 -8.386 1.00 0.00 O ATOM 454 CB ASN A 327 2.864 -1.217 -10.529 1.00 0.00 C ATOM 455 CG ASN A 327 4.174 -1.796 -11.070 1.00 0.00 C ATOM 456 OD1 ASN A 327 5.041 -2.182 -10.311 1.00 0.00 O ATOM 457 ND2 ASN A 327 4.355 -1.871 -12.360 1.00 0.00 N ATOM 0 H ASN A 327 0.727 -0.834 -9.360 1.00 0.00 H new ATOM 0 HA ASN A 327 1.670 -2.817 -11.407 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.514 -0.414 -11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.027 -0.782 -9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 327 5.224 -2.254 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 327 3.627 -1.547 -12.997 1.00 0.00 H new ATOM 464 N GLU A 328 2.016 -4.643 -9.787 1.00 0.00 N ATOM 465 CA GLU A 328 2.395 -5.755 -8.865 1.00 0.00 C ATOM 466 C GLU A 328 3.818 -6.233 -9.161 1.00 0.00 C ATOM 467 O GLU A 328 4.237 -6.293 -10.302 1.00 0.00 O ATOM 468 CB GLU A 328 1.386 -6.866 -9.153 1.00 0.00 C ATOM 469 CG GLU A 328 0.000 -6.438 -8.665 1.00 0.00 C ATOM 470 CD GLU A 328 -1.073 -7.107 -9.525 1.00 0.00 C ATOM 471 OE1 GLU A 328 -1.033 -6.929 -10.732 1.00 0.00 O ATOM 472 OE2 GLU A 328 -1.916 -7.785 -8.964 1.00 0.00 O ATOM 0 H GLU A 328 1.591 -4.938 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 328 2.378 -5.447 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.357 -7.077 -10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 328 1.690 -7.786 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 328 -0.131 -6.717 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 328 -0.098 -5.354 -8.721 1.00 0.00 H new ATOM 479 N PHE A 329 4.560 -6.578 -8.139 1.00 0.00 N ATOM 480 CA PHE A 329 5.959 -7.057 -8.348 1.00 0.00 C ATOM 481 C PHE A 329 6.044 -8.568 -8.054 1.00 0.00 C ATOM 482 O PHE A 329 5.767 -8.984 -6.946 1.00 0.00 O ATOM 483 CB PHE A 329 6.803 -6.268 -7.342 1.00 0.00 C ATOM 484 CG PHE A 329 8.074 -5.786 -8.002 1.00 0.00 C ATOM 485 CD1 PHE A 329 8.911 -6.695 -8.663 1.00 0.00 C ATOM 486 CD2 PHE A 329 8.416 -4.430 -7.954 1.00 0.00 C ATOM 487 CE1 PHE A 329 10.088 -6.247 -9.274 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.594 -3.981 -8.564 1.00 0.00 C ATOM 489 CZ PHE A 329 10.430 -4.890 -9.224 1.00 0.00 C ATOM 0 H PHE A 329 4.255 -6.548 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 329 6.302 -6.907 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.234 -5.418 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.044 -6.896 -6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 329 8.648 -7.742 -8.701 1.00 0.00 H new ATOM 0 HD2 PHE A 329 7.771 -3.729 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 329 10.732 -6.948 -9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 329 9.857 -2.934 -8.525 1.00 0.00 H new ATOM 0 HZ PHE A 329 11.339 -4.544 -9.695 1.00 0.00 H new ATOM 499 N PRO A 330 6.420 -9.351 -9.047 1.00 0.00 N ATOM 500 CA PRO A 330 6.525 -10.818 -8.840 1.00 0.00 C ATOM 501 C PRO A 330 7.750 -11.157 -7.983 1.00 0.00 C ATOM 502 O PRO A 330 7.653 -11.881 -7.010 1.00 0.00 O ATOM 503 CB PRO A 330 6.682 -11.374 -10.253 1.00 0.00 C ATOM 504 CG PRO A 330 7.261 -10.250 -11.050 1.00 0.00 C ATOM 505 CD PRO A 330 6.779 -8.969 -10.425 1.00 0.00 C ATOM 0 HA PRO A 330 5.665 -11.234 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 330 7.338 -12.244 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 330 5.723 -11.693 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 330 8.350 -10.295 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 330 6.945 -10.313 -12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 330 7.555 -8.204 -10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.922 -8.562 -10.962 1.00 0.00 H new ATOM 513 N ALA A 331 8.899 -10.641 -8.341 1.00 0.00 N ATOM 514 CA ALA A 331 10.134 -10.932 -7.553 1.00 0.00 C ATOM 515 C ALA A 331 11.083 -9.730 -7.585 1.00 0.00 C ATOM 516 O ALA A 331 10.718 -8.653 -8.017 1.00 0.00 O ATOM 517 CB ALA A 331 10.771 -12.136 -8.248 1.00 0.00 C ATOM 0 H ALA A 331 9.034 -10.030 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 331 9.915 -11.133 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 331 11.688 -12.414 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 331 10.076 -12.975 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 331 11.004 -11.878 -9.281 1.00 0.00 H new ATOM 523 N ILE A 332 12.297 -9.911 -7.129 1.00 0.00 N ATOM 524 CA ILE A 332 13.280 -8.784 -7.128 1.00 0.00 C ATOM 525 C ILE A 332 14.356 -9.029 -8.191 1.00 0.00 C ATOM 526 O ILE A 332 14.908 -10.108 -8.289 1.00 0.00 O ATOM 527 CB ILE A 332 13.894 -8.789 -5.722 1.00 0.00 C ATOM 528 CG1 ILE A 332 12.790 -8.587 -4.675 1.00 0.00 C ATOM 529 CG2 ILE A 332 14.917 -7.654 -5.604 1.00 0.00 C ATOM 530 CD1 ILE A 332 12.368 -9.942 -4.101 1.00 0.00 C ATOM 0 H ILE A 332 12.651 -10.792 -6.757 1.00 0.00 H new ATOM 0 HA ILE A 332 12.815 -7.826 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 332 14.388 -9.745 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 332 13.148 -7.938 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 332 11.932 -8.090 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 332 15.352 -7.659 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 332 15.705 -7.796 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 332 14.422 -6.699 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 332 11.584 -9.794 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 332 11.992 -10.576 -4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 332 13.227 -10.422 -3.632 1.00 0.00 H new ATOM 542 N ASP A 333 14.654 -8.032 -8.985 1.00 0.00 N ATOM 543 CA ASP A 333 15.694 -8.198 -10.047 1.00 0.00 C ATOM 544 C ASP A 333 16.804 -7.154 -9.879 1.00 0.00 C ATOM 545 O ASP A 333 17.969 -7.439 -10.084 1.00 0.00 O ATOM 546 CB ASP A 333 14.951 -7.993 -11.374 1.00 0.00 C ATOM 547 CG ASP A 333 14.300 -6.606 -11.404 1.00 0.00 C ATOM 548 OD1 ASP A 333 14.969 -5.669 -11.806 1.00 0.00 O ATOM 549 OD2 ASP A 333 13.144 -6.508 -11.025 1.00 0.00 O ATOM 0 H ASP A 333 14.222 -7.109 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 333 16.175 -9.175 -9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 333 15.645 -8.096 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 333 14.190 -8.763 -11.496 1.00 0.00 H new ATOM 554 N LEU A 334 16.449 -5.950 -9.507 1.00 0.00 N ATOM 555 CA LEU A 334 17.480 -4.882 -9.324 1.00 0.00 C ATOM 556 C LEU A 334 17.741 -4.646 -7.834 1.00 0.00 C ATOM 557 O LEU A 334 18.822 -4.903 -7.339 1.00 0.00 O ATOM 558 CB LEU A 334 16.874 -3.634 -9.969 1.00 0.00 C ATOM 559 CG LEU A 334 17.963 -2.862 -10.716 1.00 0.00 C ATOM 560 CD1 LEU A 334 18.455 -3.691 -11.904 1.00 0.00 C ATOM 561 CD2 LEU A 334 17.391 -1.536 -11.224 1.00 0.00 C ATOM 0 H LEU A 334 15.489 -5.660 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 334 18.437 -5.149 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 334 16.078 -3.918 -10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 334 16.423 -3.000 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 334 18.795 -2.665 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 334 19.231 -3.140 -12.436 1.00 0.00 H new ATOM 0 HD12 LEU A 334 18.862 -4.636 -11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 334 17.623 -3.888 -12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 334 18.167 -0.985 -11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 334 16.558 -1.734 -11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 334 17.040 -0.943 -10.379 1.00 0.00 H new ATOM 573 N PHE A 335 16.759 -4.159 -7.119 1.00 0.00 N ATOM 574 CA PHE A 335 16.944 -3.902 -5.658 1.00 0.00 C ATOM 575 C PHE A 335 15.756 -4.465 -4.869 1.00 0.00 C ATOM 576 O PHE A 335 15.865 -5.486 -4.216 1.00 0.00 O ATOM 577 CB PHE A 335 17.007 -2.380 -5.527 1.00 0.00 C ATOM 578 CG PHE A 335 18.412 -1.908 -5.815 1.00 0.00 C ATOM 579 CD1 PHE A 335 18.814 -1.667 -7.134 1.00 0.00 C ATOM 580 CD2 PHE A 335 19.314 -1.711 -4.762 1.00 0.00 C ATOM 581 CE1 PHE A 335 20.116 -1.229 -7.401 1.00 0.00 C ATOM 582 CE2 PHE A 335 20.617 -1.272 -5.029 1.00 0.00 C ATOM 583 CZ PHE A 335 21.017 -1.031 -6.349 1.00 0.00 C ATOM 0 H PHE A 335 15.835 -3.928 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 335 17.841 -4.379 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 335 16.306 -1.915 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 335 16.709 -2.078 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 335 18.119 -1.819 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 335 19.005 -1.898 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 335 20.425 -1.044 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 335 21.313 -1.119 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 335 22.021 -0.692 -6.555 1.00 0.00 H new ATOM 593 N GLU A 336 14.626 -3.806 -4.926 1.00 0.00 N ATOM 594 CA GLU A 336 13.428 -4.296 -4.184 1.00 0.00 C ATOM 595 C GLU A 336 12.155 -3.793 -4.869 1.00 0.00 C ATOM 596 O GLU A 336 12.159 -3.488 -6.048 1.00 0.00 O ATOM 597 CB GLU A 336 13.561 -3.702 -2.780 1.00 0.00 C ATOM 598 CG GLU A 336 13.138 -4.739 -1.739 1.00 0.00 C ATOM 599 CD GLU A 336 13.858 -4.461 -0.419 1.00 0.00 C ATOM 600 OE1 GLU A 336 13.393 -3.608 0.319 1.00 0.00 O ATOM 601 OE2 GLU A 336 14.862 -5.107 -0.167 1.00 0.00 O ATOM 0 H GLU A 336 14.483 -2.947 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 336 13.367 -5.384 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 336 14.591 -3.393 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.941 -2.810 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 336 12.059 -4.702 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 336 13.377 -5.742 -2.092 1.00 0.00 H new ATOM 608 N CYS A 337 11.071 -3.698 -4.142 1.00 0.00 N ATOM 609 CA CYS A 337 9.801 -3.203 -4.755 1.00 0.00 C ATOM 610 C CYS A 337 9.422 -1.842 -4.164 1.00 0.00 C ATOM 611 O CYS A 337 8.260 -1.492 -4.080 1.00 0.00 O ATOM 612 CB CYS A 337 8.740 -4.266 -4.434 1.00 0.00 C ATOM 613 SG CYS A 337 8.549 -4.462 -2.640 1.00 0.00 S ATOM 0 H CYS A 337 11.010 -3.941 -3.153 1.00 0.00 H new ATOM 0 HA CYS A 337 9.896 -3.059 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.786 -3.980 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 337 9.026 -5.218 -4.880 1.00 0.00 H new ATOM 618 N ASN A 338 10.402 -1.073 -3.761 1.00 0.00 N ATOM 619 CA ASN A 338 10.118 0.273 -3.180 1.00 0.00 C ATOM 620 C ASN A 338 10.747 1.359 -4.058 1.00 0.00 C ATOM 621 O ASN A 338 11.316 2.314 -3.565 1.00 0.00 O ATOM 622 CB ASN A 338 10.766 0.265 -1.792 1.00 0.00 C ATOM 623 CG ASN A 338 10.160 -0.857 -0.945 1.00 0.00 C ATOM 624 OD1 ASN A 338 9.085 -0.708 -0.398 1.00 0.00 O ATOM 625 ND2 ASN A 338 10.807 -1.982 -0.814 1.00 0.00 N ATOM 0 H ASN A 338 11.390 -1.321 -3.810 1.00 0.00 H new ATOM 0 HA ASN A 338 9.049 0.479 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 338 11.843 0.123 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 338 10.612 1.227 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 338 10.411 -2.736 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 338 11.709 -2.108 -1.273 1.00 0.00 H new ATOM 632 N LYS A 339 10.651 1.211 -5.357 1.00 0.00 N ATOM 633 CA LYS A 339 11.244 2.226 -6.279 1.00 0.00 C ATOM 634 C LYS A 339 10.141 2.945 -7.067 1.00 0.00 C ATOM 635 O LYS A 339 10.224 4.133 -7.320 1.00 0.00 O ATOM 636 CB LYS A 339 12.139 1.424 -7.225 1.00 0.00 C ATOM 637 CG LYS A 339 13.331 2.284 -7.652 1.00 0.00 C ATOM 638 CD LYS A 339 13.003 2.997 -8.965 1.00 0.00 C ATOM 639 CE LYS A 339 14.285 3.192 -9.776 1.00 0.00 C ATOM 640 NZ LYS A 339 15.145 4.068 -8.931 1.00 0.00 N ATOM 0 H LYS A 339 10.186 0.429 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 339 11.799 2.995 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 339 12.489 0.518 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 339 11.571 1.110 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 339 13.562 3.015 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 339 14.217 1.661 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 339 12.283 2.413 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 339 12.539 3.962 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 339 14.772 2.238 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 339 14.076 3.656 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 15.869 4.520 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 14.559 4.800 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 15.608 3.496 -8.196 1.00 0.00 H new ATOM 654 N LEU A 340 9.111 2.234 -7.457 1.00 0.00 N ATOM 655 CA LEU A 340 7.997 2.872 -8.234 1.00 0.00 C ATOM 656 C LEU A 340 7.372 4.015 -7.429 1.00 0.00 C ATOM 657 O LEU A 340 7.295 3.959 -6.219 1.00 0.00 O ATOM 658 CB LEU A 340 6.972 1.752 -8.463 1.00 0.00 C ATOM 659 CG LEU A 340 7.233 1.048 -9.803 1.00 0.00 C ATOM 660 CD1 LEU A 340 7.097 2.046 -10.955 1.00 0.00 C ATOM 661 CD2 LEU A 340 8.644 0.448 -9.812 1.00 0.00 C ATOM 0 H LEU A 340 8.992 1.238 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 340 8.347 3.301 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 340 7.027 1.029 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 340 5.964 2.166 -8.454 1.00 0.00 H new ATOM 0 HG LEU A 340 6.500 0.251 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 340 7.284 1.538 -11.901 1.00 0.00 H new ATOM 0 HD12 LEU A 340 6.089 2.462 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 340 7.821 2.851 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.822 -0.050 -10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 340 9.378 1.242 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.737 -0.276 -9.002 1.00 0.00 H new ATOM 673 N VAL A 341 6.930 5.051 -8.099 1.00 0.00 N ATOM 674 CA VAL A 341 6.308 6.212 -7.383 1.00 0.00 C ATOM 675 C VAL A 341 5.008 5.762 -6.683 1.00 0.00 C ATOM 676 O VAL A 341 4.943 4.669 -6.150 1.00 0.00 O ATOM 677 CB VAL A 341 6.043 7.258 -8.480 1.00 0.00 C ATOM 678 CG1 VAL A 341 7.366 7.642 -9.151 1.00 0.00 C ATOM 679 CG2 VAL A 341 5.082 6.682 -9.529 1.00 0.00 C ATOM 0 H VAL A 341 6.973 5.144 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 341 6.945 6.622 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 341 5.593 8.143 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 341 7.178 8.383 -9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 341 8.043 8.060 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 341 7.819 6.756 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 341 4.899 7.428 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 341 5.525 5.793 -9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 341 4.139 6.415 -9.051 1.00 0.00 H new ATOM 689 N PHE A 342 3.974 6.576 -6.677 1.00 0.00 N ATOM 690 CA PHE A 342 2.703 6.161 -6.009 1.00 0.00 C ATOM 691 C PHE A 342 1.593 5.997 -7.050 1.00 0.00 C ATOM 692 O PHE A 342 0.420 6.037 -6.733 1.00 0.00 O ATOM 693 CB PHE A 342 2.371 7.290 -5.023 1.00 0.00 C ATOM 694 CG PHE A 342 2.213 8.602 -5.761 1.00 0.00 C ATOM 695 CD1 PHE A 342 0.981 8.935 -6.337 1.00 0.00 C ATOM 696 CD2 PHE A 342 3.296 9.482 -5.868 1.00 0.00 C ATOM 697 CE1 PHE A 342 0.832 10.149 -7.019 1.00 0.00 C ATOM 698 CE2 PHE A 342 3.148 10.695 -6.550 1.00 0.00 C ATOM 699 CZ PHE A 342 1.915 11.029 -7.125 1.00 0.00 C ATOM 0 H PHE A 342 3.959 7.502 -7.104 1.00 0.00 H new ATOM 0 HA PHE A 342 2.799 5.204 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 342 1.452 7.054 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 342 3.163 7.377 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 342 0.146 8.256 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 342 4.246 9.225 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 342 -0.118 10.406 -7.463 1.00 0.00 H new ATOM 0 HE2 PHE A 342 3.984 11.373 -6.633 1.00 0.00 H new ATOM 0 HZ PHE A 342 1.800 11.966 -7.650 1.00 0.00 H new ATOM 709 N GLU A 343 1.959 5.814 -8.296 1.00 0.00 N ATOM 710 CA GLU A 343 0.948 5.644 -9.380 1.00 0.00 C ATOM 711 C GLU A 343 1.675 5.407 -10.699 1.00 0.00 C ATOM 712 O GLU A 343 2.771 5.895 -10.908 1.00 0.00 O ATOM 713 CB GLU A 343 0.162 6.961 -9.445 1.00 0.00 C ATOM 714 CG GLU A 343 -1.270 6.676 -9.903 1.00 0.00 C ATOM 715 CD GLU A 343 -2.110 7.949 -9.773 1.00 0.00 C ATOM 716 OE1 GLU A 343 -2.369 8.351 -8.652 1.00 0.00 O ATOM 717 OE2 GLU A 343 -2.478 8.499 -10.798 1.00 0.00 O ATOM 0 H GLU A 343 2.929 5.775 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 343 0.284 4.800 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 343 0.154 7.441 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 343 0.646 7.652 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -1.271 6.331 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -1.704 5.878 -9.300 1.00 0.00 H new ATOM 724 N LEU A 344 1.071 4.681 -11.595 1.00 0.00 N ATOM 725 CA LEU A 344 1.716 4.427 -12.913 1.00 0.00 C ATOM 726 C LEU A 344 1.273 5.492 -13.928 1.00 0.00 C ATOM 727 O LEU A 344 1.585 5.403 -15.101 1.00 0.00 O ATOM 728 CB LEU A 344 1.254 3.023 -13.346 1.00 0.00 C ATOM 729 CG LEU A 344 1.654 1.933 -12.315 1.00 0.00 C ATOM 730 CD1 LEU A 344 3.055 2.183 -11.729 1.00 0.00 C ATOM 731 CD2 LEU A 344 0.633 1.904 -11.178 1.00 0.00 C ATOM 0 H LEU A 344 0.155 4.250 -11.472 1.00 0.00 H new ATOM 0 HA LEU A 344 2.803 4.478 -12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 344 0.171 3.021 -13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 344 1.689 2.782 -14.316 1.00 0.00 H new ATOM 0 HG LEU A 344 1.671 0.976 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 344 3.295 1.397 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.792 2.179 -12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.072 3.150 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 344 0.915 1.138 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 344 0.609 2.876 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 344 -0.354 1.676 -11.581 1.00 0.00 H new ATOM 1585 N ASN A 398 5.853 3.268 1.849 1.00 0.00 N ATOM 1586 CA ASN A 398 4.714 4.120 2.309 1.00 0.00 C ATOM 1587 C ASN A 398 3.923 4.650 1.111 1.00 0.00 C ATOM 1588 O ASN A 398 2.708 4.707 1.134 1.00 0.00 O ATOM 1589 CB ASN A 398 5.357 5.274 3.091 1.00 0.00 C ATOM 1590 CG ASN A 398 6.337 6.039 2.195 1.00 0.00 C ATOM 1591 OD1 ASN A 398 6.021 7.104 1.703 1.00 0.00 O ATOM 1592 ND2 ASN A 398 7.518 5.539 1.961 1.00 0.00 N ATOM 0 HA ASN A 398 4.010 3.560 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 398 4.584 5.950 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 398 5.880 4.884 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 398 8.176 6.042 1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 398 7.784 4.645 2.374 1.00 0.00 H new ATOM 1599 N TRP A 399 4.608 5.037 0.068 1.00 0.00 N ATOM 1600 CA TRP A 399 3.910 5.569 -1.146 1.00 0.00 C ATOM 1601 C TRP A 399 3.271 4.444 -1.986 1.00 0.00 C ATOM 1602 O TRP A 399 2.718 4.698 -3.039 1.00 0.00 O ATOM 1603 CB TRP A 399 4.998 6.301 -1.948 1.00 0.00 C ATOM 1604 CG TRP A 399 6.095 5.368 -2.406 1.00 0.00 C ATOM 1605 CD1 TRP A 399 6.261 4.066 -2.041 1.00 0.00 C ATOM 1606 CD2 TRP A 399 7.195 5.671 -3.314 1.00 0.00 C ATOM 1607 NE1 TRP A 399 7.386 3.563 -2.671 1.00 0.00 N ATOM 1608 CE2 TRP A 399 7.993 4.513 -3.467 1.00 0.00 C ATOM 1609 CE3 TRP A 399 7.571 6.831 -4.017 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 9.122 4.506 -4.287 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 8.706 6.826 -4.842 1.00 0.00 C ATOM 1612 CH2 TRP A 399 9.480 5.666 -4.976 1.00 0.00 C ATOM 0 H TRP A 399 5.625 5.009 0.001 1.00 0.00 H new ATOM 0 HA TRP A 399 3.087 6.228 -0.869 1.00 0.00 H new ATOM 0 HB2 TRP A 399 4.546 6.781 -2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 399 5.429 7.092 -1.334 1.00 0.00 H new ATOM 0 HD1 TRP A 399 5.619 3.516 -1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 399 7.725 2.607 -2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 399 6.982 7.731 -3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 9.715 3.609 -4.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 8.985 7.722 -5.377 1.00 0.00 H new ATOM 0 HH2 TRP A 399 10.353 5.669 -5.612 1.00 0.00 H new ATOM 1623 N GLY A 400 3.331 3.212 -1.532 1.00 0.00 N ATOM 1624 CA GLY A 400 2.716 2.090 -2.305 1.00 0.00 C ATOM 1625 C GLY A 400 2.112 1.083 -1.324 1.00 0.00 C ATOM 1626 O GLY A 400 2.228 1.236 -0.122 1.00 0.00 O ATOM 0 H GLY A 400 3.780 2.938 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 400 1.946 2.472 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.468 1.605 -2.928 1.00 0.00 H new ATOM 1630 N ASN A 401 1.474 0.051 -1.822 1.00 0.00 N ATOM 1631 CA ASN A 401 0.868 -0.966 -0.910 1.00 0.00 C ATOM 1632 C ASN A 401 1.671 -2.269 -0.970 1.00 0.00 C ATOM 1633 O ASN A 401 2.012 -2.751 -2.036 1.00 0.00 O ATOM 1634 CB ASN A 401 -0.567 -1.169 -1.413 1.00 0.00 C ATOM 1635 CG ASN A 401 -0.561 -1.675 -2.858 1.00 0.00 C ATOM 1636 OD1 ASN A 401 0.216 -1.221 -3.675 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -1.409 -2.602 -3.209 1.00 0.00 N ATOM 0 H ASN A 401 1.348 -0.129 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 401 0.874 -0.644 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -1.085 -1.883 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -1.116 -0.230 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -1.420 -2.946 -4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -2.061 -2.983 -2.523 1.00 0.00 H new ATOM 1644 N TYR A 402 1.992 -2.833 0.169 1.00 0.00 N ATOM 1645 CA TYR A 402 2.793 -4.095 0.178 1.00 0.00 C ATOM 1646 C TYR A 402 2.005 -5.245 0.813 1.00 0.00 C ATOM 1647 O TYR A 402 1.126 -5.042 1.628 1.00 0.00 O ATOM 1648 CB TYR A 402 4.030 -3.771 1.019 1.00 0.00 C ATOM 1649 CG TYR A 402 4.824 -2.672 0.351 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.399 -1.341 0.450 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.985 -2.983 -0.366 1.00 0.00 C ATOM 1652 CE1 TYR A 402 5.135 -0.323 -0.167 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.720 -1.966 -0.984 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.295 -0.635 -0.885 1.00 0.00 C ATOM 1655 OH TYR A 402 7.021 0.368 -1.494 1.00 0.00 O ATOM 0 H TYR A 402 1.735 -2.475 1.089 1.00 0.00 H new ATOM 0 HA TYR A 402 3.048 -4.417 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.730 -3.460 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.648 -4.662 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.503 -1.100 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 402 6.314 -4.009 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 402 4.808 0.703 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.615 -2.207 -1.538 1.00 0.00 H new ATOM 0 HH TYR A 402 7.957 0.314 -1.208 1.00 0.00 H new ATOM 1665 N ASN A 403 2.330 -6.455 0.443 1.00 0.00 N ATOM 1666 CA ASN A 403 1.629 -7.642 1.014 1.00 0.00 C ATOM 1667 C ASN A 403 2.667 -8.687 1.425 1.00 0.00 C ATOM 1668 O ASN A 403 3.326 -9.275 0.588 1.00 0.00 O ATOM 1669 CB ASN A 403 0.749 -8.170 -0.120 1.00 0.00 C ATOM 1670 CG ASN A 403 -0.446 -8.924 0.470 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -1.405 -8.320 0.906 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -0.427 -10.228 0.501 1.00 0.00 N ATOM 0 H ASN A 403 3.058 -6.674 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 403 1.037 -7.401 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 403 0.401 -7.344 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 403 1.327 -8.831 -0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -1.218 -10.740 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 403 0.379 -10.735 0.135 1.00 0.00 H new ATOM 1679 N THR A 404 2.832 -8.909 2.706 1.00 0.00 N ATOM 1680 CA THR A 404 3.847 -9.904 3.164 1.00 0.00 C ATOM 1681 C THR A 404 3.230 -11.301 3.267 1.00 0.00 C ATOM 1682 O THR A 404 2.818 -11.733 4.327 1.00 0.00 O ATOM 1683 CB THR A 404 4.286 -9.412 4.544 1.00 0.00 C ATOM 1684 OG1 THR A 404 4.514 -8.011 4.493 1.00 0.00 O ATOM 1685 CG2 THR A 404 5.573 -10.126 4.957 1.00 0.00 C ATOM 0 H THR A 404 2.310 -8.446 3.450 1.00 0.00 H new ATOM 0 HA THR A 404 4.682 -9.983 2.468 1.00 0.00 H new ATOM 0 HB THR A 404 3.505 -9.628 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 404 4.794 -7.693 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 404 5.885 -9.774 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 404 5.397 -11.201 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 404 6.357 -9.912 4.230 1.00 0.00 H new ATOM 1693 N GLU A 405 3.192 -12.015 2.172 1.00 0.00 N ATOM 1694 CA GLU A 405 2.635 -13.398 2.187 1.00 0.00 C ATOM 1695 C GLU A 405 3.707 -14.374 1.699 1.00 0.00 C ATOM 1696 O GLU A 405 4.198 -15.201 2.443 1.00 0.00 O ATOM 1697 CB GLU A 405 1.445 -13.363 1.225 1.00 0.00 C ATOM 1698 CG GLU A 405 0.764 -14.732 1.205 1.00 0.00 C ATOM 1699 CD GLU A 405 -0.606 -14.612 0.536 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.242 -13.586 0.713 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -0.997 -15.547 -0.143 1.00 0.00 O ATOM 0 H GLU A 405 3.526 -11.696 1.262 1.00 0.00 H new ATOM 0 HA GLU A 405 2.327 -13.722 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.735 -12.597 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 405 1.782 -13.098 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 405 1.382 -15.449 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 405 0.652 -15.109 2.222 1.00 0.00 H new ATOM 1708 N THR A 406 4.086 -14.261 0.452 1.00 0.00 N ATOM 1709 CA THR A 406 5.143 -15.151 -0.108 1.00 0.00 C ATOM 1710 C THR A 406 6.300 -14.298 -0.633 1.00 0.00 C ATOM 1711 O THR A 406 7.390 -14.305 -0.094 1.00 0.00 O ATOM 1712 CB THR A 406 4.466 -15.907 -1.252 1.00 0.00 C ATOM 1713 OG1 THR A 406 3.690 -15.000 -2.024 1.00 0.00 O ATOM 1714 CG2 THR A 406 3.558 -16.997 -0.680 1.00 0.00 C ATOM 0 H THR A 406 3.704 -13.583 -0.207 1.00 0.00 H new ATOM 0 HA THR A 406 5.553 -15.836 0.634 1.00 0.00 H new ATOM 0 HB THR A 406 5.227 -16.365 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 406 3.257 -15.483 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 406 3.076 -17.535 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 406 4.153 -17.693 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 406 2.797 -16.541 -0.047 1.00 0.00 H new ATOM 1722 N GLN A 407 6.058 -13.554 -1.684 1.00 0.00 N ATOM 1723 CA GLN A 407 7.121 -12.678 -2.267 1.00 0.00 C ATOM 1724 C GLN A 407 6.516 -11.789 -3.360 1.00 0.00 C ATOM 1725 O GLN A 407 6.746 -11.995 -4.537 1.00 0.00 O ATOM 1726 CB GLN A 407 8.155 -13.637 -2.864 1.00 0.00 C ATOM 1727 CG GLN A 407 9.349 -12.836 -3.389 1.00 0.00 C ATOM 1728 CD GLN A 407 10.608 -13.704 -3.344 1.00 0.00 C ATOM 1729 OE1 GLN A 407 11.548 -13.396 -2.640 1.00 0.00 O ATOM 1730 NE2 GLN A 407 10.665 -14.786 -4.072 1.00 0.00 N ATOM 0 H GLN A 407 5.161 -13.516 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 407 7.569 -12.019 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.485 -14.349 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 407 7.707 -14.215 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.158 -12.507 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 407 9.492 -11.939 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 407 9.875 -15.045 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.499 -15.373 -4.049 1.00 0.00 H new ATOM 1739 N LYS A 408 5.735 -10.808 -2.978 1.00 0.00 N ATOM 1740 CA LYS A 408 5.102 -9.911 -3.991 1.00 0.00 C ATOM 1741 C LYS A 408 4.966 -8.486 -3.444 1.00 0.00 C ATOM 1742 O LYS A 408 5.011 -8.261 -2.250 1.00 0.00 O ATOM 1743 CB LYS A 408 3.723 -10.521 -4.242 1.00 0.00 C ATOM 1744 CG LYS A 408 3.076 -9.849 -5.454 1.00 0.00 C ATOM 1745 CD LYS A 408 1.654 -10.387 -5.635 1.00 0.00 C ATOM 1746 CE LYS A 408 1.271 -10.351 -7.119 1.00 0.00 C ATOM 1747 NZ LYS A 408 0.323 -9.208 -7.247 1.00 0.00 N ATOM 0 H LYS A 408 5.509 -10.591 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 408 5.695 -9.838 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.815 -11.593 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 408 3.092 -10.392 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 408 3.053 -8.768 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.667 -10.043 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.591 -11.408 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 408 0.952 -9.789 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.149 -10.208 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 408 0.805 -11.286 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 0.109 -9.046 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -0.556 -9.427 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 0.754 -8.352 -6.842 1.00 0.00 H new ATOM 1761 N CYS A 409 4.797 -7.524 -4.317 1.00 0.00 N ATOM 1762 CA CYS A 409 4.652 -6.104 -3.868 1.00 0.00 C ATOM 1763 C CYS A 409 3.674 -5.364 -4.787 1.00 0.00 C ATOM 1764 O CYS A 409 3.344 -5.838 -5.858 1.00 0.00 O ATOM 1765 CB CYS A 409 6.052 -5.503 -3.999 1.00 0.00 C ATOM 1766 SG CYS A 409 6.948 -5.681 -2.436 1.00 0.00 S ATOM 0 H CYS A 409 4.753 -7.662 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 409 4.266 -6.029 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.598 -6.002 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 409 5.981 -4.450 -4.270 1.00 0.00 H new ATOM 1771 N GLU A 410 3.212 -4.206 -4.380 1.00 0.00 N ATOM 1772 CA GLU A 410 2.259 -3.438 -5.238 1.00 0.00 C ATOM 1773 C GLU A 410 2.473 -1.931 -5.063 1.00 0.00 C ATOM 1774 O GLU A 410 2.803 -1.461 -3.991 1.00 0.00 O ATOM 1775 CB GLU A 410 0.868 -3.843 -4.751 1.00 0.00 C ATOM 1776 CG GLU A 410 0.670 -5.347 -4.956 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.823 -5.676 -4.934 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.594 -4.868 -5.426 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.171 -6.729 -4.426 1.00 0.00 O ATOM 0 H GLU A 410 3.453 -3.762 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 410 2.399 -3.653 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.753 -3.591 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.105 -3.288 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 410 1.107 -5.655 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 410 1.186 -5.902 -4.173 1.00 0.00 H new ATOM 1786 N ILE A 411 2.287 -1.170 -6.113 1.00 0.00 N ATOM 1787 CA ILE A 411 2.476 0.310 -6.016 1.00 0.00 C ATOM 1788 C ILE A 411 1.289 1.036 -6.659 1.00 0.00 C ATOM 1789 O ILE A 411 0.890 0.739 -7.768 1.00 0.00 O ATOM 1790 CB ILE A 411 3.772 0.604 -6.777 1.00 0.00 C ATOM 1791 CG1 ILE A 411 4.930 -0.158 -6.124 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.067 2.107 -6.733 1.00 0.00 C ATOM 1793 CD1 ILE A 411 5.133 -1.492 -6.844 1.00 0.00 C ATOM 0 H ILE A 411 2.012 -1.511 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 411 2.533 0.651 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 411 3.661 0.286 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 411 5.843 0.436 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.717 -0.331 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 411 4.990 2.313 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.245 2.653 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 411 4.177 2.426 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 411 5.957 -2.034 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 411 4.222 -2.086 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 411 5.365 -1.308 -7.893 1.00 0.00 H new ATOM 1805 N PHE A 412 0.728 1.990 -5.959 1.00 0.00 N ATOM 1806 CA PHE A 412 -0.436 2.758 -6.501 1.00 0.00 C ATOM 1807 C PHE A 412 -0.792 3.899 -5.541 1.00 0.00 C ATOM 1808 O PHE A 412 -0.002 4.269 -4.693 1.00 0.00 O ATOM 1809 CB PHE A 412 -1.586 1.750 -6.595 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.465 2.101 -7.771 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -1.908 2.212 -9.050 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -3.834 2.317 -7.583 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -2.719 2.540 -10.142 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -4.646 2.647 -8.675 1.00 0.00 C ATOM 1815 CZ PHE A 412 -4.089 2.758 -9.954 1.00 0.00 C ATOM 0 H PHE A 412 1.029 2.272 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.222 3.205 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -1.191 0.741 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.170 1.761 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.851 2.044 -9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.264 2.229 -6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -2.289 2.625 -11.129 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -5.703 2.816 -8.530 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.716 3.012 -10.796 1.00 0.00 H new ATOM 1825 N ASN A 413 -1.970 4.460 -5.669 1.00 0.00 N ATOM 1826 CA ASN A 413 -2.370 5.583 -4.763 1.00 0.00 C ATOM 1827 C ASN A 413 -2.725 5.050 -3.370 1.00 0.00 C ATOM 1828 O ASN A 413 -2.454 3.910 -3.043 1.00 0.00 O ATOM 1829 CB ASN A 413 -3.588 6.235 -5.427 1.00 0.00 C ATOM 1830 CG ASN A 413 -4.711 5.209 -5.601 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -4.895 4.671 -6.675 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -5.475 4.917 -4.587 1.00 0.00 N ATOM 0 H ASN A 413 -2.670 4.190 -6.360 1.00 0.00 H new ATOM 0 HA ASN A 413 -1.561 6.300 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -3.939 7.069 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -3.306 6.644 -6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -6.227 4.237 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -5.321 5.368 -3.685 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.323 5.876 -2.546 1.00 0.00 N ATOM 1840 CA VAL A 414 -3.693 5.435 -1.163 1.00 0.00 C ATOM 1841 C VAL A 414 -4.620 4.211 -1.212 1.00 0.00 C ATOM 1842 O VAL A 414 -5.152 3.865 -2.249 1.00 0.00 O ATOM 1843 CB VAL A 414 -4.408 6.643 -0.537 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -5.651 6.999 -1.359 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -4.826 6.310 0.898 1.00 0.00 C ATOM 0 H VAL A 414 -3.572 6.839 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.821 5.134 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.726 7.493 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -6.152 7.856 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.355 7.246 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -6.332 6.148 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -5.332 7.169 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -5.502 5.455 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.942 6.069 1.488 1.00 0.00 H new ATOM 1855 N LYS A 415 -4.811 3.561 -0.092 1.00 0.00 N ATOM 1856 CA LYS A 415 -5.702 2.359 -0.058 1.00 0.00 C ATOM 1857 C LYS A 415 -7.170 2.784 -0.249 1.00 0.00 C ATOM 1858 O LYS A 415 -7.655 3.625 0.480 1.00 0.00 O ATOM 1859 CB LYS A 415 -5.501 1.753 1.333 1.00 0.00 C ATOM 1860 CG LYS A 415 -6.241 0.418 1.426 1.00 0.00 C ATOM 1861 CD LYS A 415 -5.722 -0.368 2.631 1.00 0.00 C ATOM 1862 CE LYS A 415 -6.590 -0.063 3.856 1.00 0.00 C ATOM 1863 NZ LYS A 415 -5.827 0.964 4.619 1.00 0.00 N ATOM 0 H LYS A 415 -4.388 3.810 0.802 1.00 0.00 H new ATOM 0 HA LYS A 415 -5.467 1.649 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -4.438 1.605 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -5.871 2.438 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -7.313 0.590 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -6.093 -0.157 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -5.741 -1.437 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -4.684 -0.101 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -7.571 0.311 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -6.756 -0.958 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -6.489 1.648 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -5.283 0.502 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -5.176 1.460 3.978 1.00 0.00 H new ATOM 1877 N PRO A 416 -7.843 2.197 -1.221 1.00 0.00 N ATOM 1878 CA PRO A 416 -9.263 2.555 -1.466 1.00 0.00 C ATOM 1879 C PRO A 416 -10.159 1.948 -0.382 1.00 0.00 C ATOM 1880 O PRO A 416 -9.683 1.356 0.569 1.00 0.00 O ATOM 1881 CB PRO A 416 -9.565 1.935 -2.827 1.00 0.00 C ATOM 1882 CG PRO A 416 -8.592 0.808 -2.966 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.369 1.171 -2.166 1.00 0.00 C ATOM 0 HA PRO A 416 -9.442 3.630 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -10.593 1.577 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -9.442 2.664 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -9.027 -0.123 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -8.333 0.650 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -6.965 0.305 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -6.575 1.556 -2.806 1.00 0.00 H new ATOM 1891 N THR A 417 -11.453 2.088 -0.523 1.00 0.00 N ATOM 1892 CA THR A 417 -12.390 1.520 0.495 1.00 0.00 C ATOM 1893 C THR A 417 -13.028 0.232 -0.036 1.00 0.00 C ATOM 1894 O THR A 417 -14.234 0.070 -0.010 1.00 0.00 O ATOM 1895 CB THR A 417 -13.453 2.604 0.719 1.00 0.00 C ATOM 1896 OG1 THR A 417 -14.403 2.138 1.667 1.00 0.00 O ATOM 1897 CG2 THR A 417 -14.165 2.931 -0.598 1.00 0.00 C ATOM 0 H THR A 417 -11.902 2.572 -1.300 1.00 0.00 H new ATOM 0 HA THR A 417 -11.881 1.261 1.424 1.00 0.00 H new ATOM 0 HB THR A 417 -12.968 3.507 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 417 -14.753 1.269 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 417 -14.916 3.701 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 417 -13.437 3.291 -1.325 1.00 0.00 H new ATOM 0 HG23 THR A 417 -14.648 2.033 -0.983 1.00 0.00 H new ATOM 1905 N CYS A 418 -12.224 -0.682 -0.516 1.00 0.00 N ATOM 1906 CA CYS A 418 -12.770 -1.966 -1.053 1.00 0.00 C ATOM 1907 C CYS A 418 -12.283 -3.138 -0.198 1.00 0.00 C ATOM 1908 O CYS A 418 -11.732 -2.950 0.871 1.00 0.00 O ATOM 1909 CB CYS A 418 -12.223 -2.085 -2.482 1.00 0.00 C ATOM 1910 SG CYS A 418 -12.714 -0.645 -3.476 1.00 0.00 S ATOM 0 H CYS A 418 -11.209 -0.594 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 418 -13.860 -1.982 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -11.136 -2.162 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -12.596 -2.998 -2.945 1.00 0.00 H new ATOM 1915 N LEU A 419 -12.487 -4.345 -0.660 1.00 0.00 N ATOM 1916 CA LEU A 419 -12.042 -5.538 0.122 1.00 0.00 C ATOM 1917 C LEU A 419 -10.536 -5.763 -0.056 1.00 0.00 C ATOM 1918 O LEU A 419 -9.885 -6.343 0.792 1.00 0.00 O ATOM 1919 CB LEU A 419 -12.835 -6.717 -0.459 1.00 0.00 C ATOM 1920 CG LEU A 419 -13.984 -7.107 0.482 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -13.422 -7.532 1.841 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -14.931 -5.917 0.671 1.00 0.00 C ATOM 0 H LEU A 419 -12.944 -4.556 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 419 -12.218 -5.416 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -13.233 -6.448 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -12.173 -7.570 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 419 -14.534 -7.939 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -14.242 -7.807 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -12.759 -8.387 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -12.864 -6.704 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -15.744 -6.201 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -14.382 -5.080 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -15.342 -5.622 -0.295 1.00 0.00 H new ATOM 1934 N ILE A 420 -9.978 -5.305 -1.150 1.00 0.00 N ATOM 1935 CA ILE A 420 -8.513 -5.488 -1.383 1.00 0.00 C ATOM 1936 C ILE A 420 -7.734 -4.373 -0.678 1.00 0.00 C ATOM 1937 O ILE A 420 -7.234 -3.459 -1.308 1.00 0.00 O ATOM 1938 CB ILE A 420 -8.331 -5.401 -2.903 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -9.181 -6.478 -3.601 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -6.854 -5.606 -3.258 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -8.776 -7.878 -3.118 1.00 0.00 C ATOM 0 H ILE A 420 -10.475 -4.812 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 420 -8.144 -6.436 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 420 -8.655 -4.417 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -10.237 -6.307 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -9.052 -6.408 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -6.728 -5.544 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.254 -4.834 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.529 -6.587 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -9.387 -8.627 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.725 -8.052 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.928 -7.950 -2.041 1.00 0.00 H new ATOM 1953 N ASN A 421 -7.635 -4.442 0.625 1.00 0.00 N ATOM 1954 CA ASN A 421 -6.897 -3.388 1.383 1.00 0.00 C ATOM 1955 C ASN A 421 -5.500 -3.884 1.767 1.00 0.00 C ATOM 1956 O ASN A 421 -5.335 -4.625 2.718 1.00 0.00 O ATOM 1957 CB ASN A 421 -7.738 -3.139 2.635 1.00 0.00 C ATOM 1958 CG ASN A 421 -8.999 -2.361 2.255 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -8.987 -1.576 1.327 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -10.096 -2.546 2.938 1.00 0.00 N ATOM 0 H ASN A 421 -8.035 -5.185 1.198 1.00 0.00 H new ATOM 0 HA ASN A 421 -6.759 -2.481 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -8.009 -4.087 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -7.159 -2.579 3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -10.942 -2.032 2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -10.107 -3.205 3.717 1.00 0.00 H new ATOM 1967 N ASN A 422 -4.496 -3.476 1.032 1.00 0.00 N ATOM 1968 CA ASN A 422 -3.103 -3.915 1.347 1.00 0.00 C ATOM 1969 C ASN A 422 -2.458 -2.951 2.347 1.00 0.00 C ATOM 1970 O ASN A 422 -3.122 -2.111 2.927 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.363 -3.875 0.008 1.00 0.00 C ATOM 1972 CG ASN A 422 -2.571 -5.198 -0.730 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -1.655 -5.985 -0.860 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -3.747 -5.478 -1.224 1.00 0.00 N ATOM 0 H ASN A 422 -4.582 -2.857 0.226 1.00 0.00 H new ATOM 0 HA ASN A 422 -3.074 -4.906 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -2.730 -3.047 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.300 -3.702 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -3.896 -6.357 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -4.516 -4.817 -1.115 1.00 0.00 H new ATOM 1981 N SER A 423 -1.170 -3.066 2.554 1.00 0.00 N ATOM 1982 CA SER A 423 -0.474 -2.160 3.518 1.00 0.00 C ATOM 1983 C SER A 423 -0.138 -0.825 2.846 1.00 0.00 C ATOM 1984 O SER A 423 0.944 -0.641 2.320 1.00 0.00 O ATOM 1985 CB SER A 423 0.804 -2.904 3.909 1.00 0.00 C ATOM 1986 OG SER A 423 1.688 -2.944 2.797 1.00 0.00 O ATOM 0 H SER A 423 -0.569 -3.751 2.095 1.00 0.00 H new ATOM 0 HA SER A 423 -1.092 -1.928 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.284 -2.406 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.563 -3.917 4.233 1.00 0.00 H new ATOM 0 HG SER A 423 2.021 -2.041 2.611 1.00 0.00 H new ATOM 1992 N SER A 424 -1.059 0.106 2.861 1.00 0.00 N ATOM 1993 CA SER A 424 -0.800 1.432 2.223 1.00 0.00 C ATOM 1994 C SER A 424 -0.772 2.538 3.283 1.00 0.00 C ATOM 1995 O SER A 424 -1.765 2.816 3.930 1.00 0.00 O ATOM 1996 CB SER A 424 -1.965 1.642 1.252 1.00 0.00 C ATOM 1997 OG SER A 424 -1.455 2.050 -0.010 1.00 0.00 O ATOM 0 H SER A 424 -1.980 0.004 3.288 1.00 0.00 H new ATOM 0 HA SER A 424 0.163 1.462 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 424 -2.536 0.720 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 424 -2.648 2.396 1.643 1.00 0.00 H new ATOM 0 HG SER A 424 -2.198 2.184 -0.635 1.00 0.00 H new ATOM 2003 N TYR A 425 0.358 3.171 3.457 1.00 0.00 N ATOM 2004 CA TYR A 425 0.467 4.271 4.473 1.00 0.00 C ATOM 2005 C TYR A 425 1.597 5.229 4.089 1.00 0.00 C ATOM 2006 O TYR A 425 2.759 4.886 4.147 1.00 0.00 O ATOM 2007 CB TYR A 425 0.757 3.623 5.852 1.00 0.00 C ATOM 2008 CG TYR A 425 1.424 2.260 5.731 1.00 0.00 C ATOM 2009 CD1 TYR A 425 2.778 2.157 5.380 1.00 0.00 C ATOM 2010 CD2 TYR A 425 0.678 1.101 5.979 1.00 0.00 C ATOM 2011 CE1 TYR A 425 3.380 0.896 5.278 1.00 0.00 C ATOM 2012 CE2 TYR A 425 1.280 -0.157 5.876 1.00 0.00 C ATOM 2013 CZ TYR A 425 2.632 -0.260 5.526 1.00 0.00 C ATOM 2014 OH TYR A 425 3.226 -1.501 5.424 1.00 0.00 O ATOM 0 H TYR A 425 1.215 2.976 2.940 1.00 0.00 H new ATOM 0 HA TYR A 425 -0.461 4.842 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 425 1.398 4.286 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 425 -0.177 3.518 6.404 1.00 0.00 H new ATOM 0 HD1 TYR A 425 3.356 3.049 5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 425 -0.364 1.179 6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 425 4.423 0.816 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 425 0.702 -1.049 6.066 1.00 0.00 H new ATOM 0 HH TYR A 425 3.034 -2.023 6.231 1.00 0.00 H new ATOM 2024 N ILE A 426 1.261 6.430 3.692 1.00 0.00 N ATOM 2025 CA ILE A 426 2.315 7.416 3.296 1.00 0.00 C ATOM 2026 C ILE A 426 2.988 8.006 4.543 1.00 0.00 C ATOM 2027 O ILE A 426 2.939 9.199 4.779 1.00 0.00 O ATOM 2028 CB ILE A 426 1.574 8.504 2.508 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.876 7.872 1.296 1.00 0.00 C ATOM 2030 CG2 ILE A 426 2.570 9.564 2.022 1.00 0.00 C ATOM 2031 CD1 ILE A 426 0.002 8.920 0.606 1.00 0.00 C ATOM 0 H ILE A 426 0.302 6.772 3.625 1.00 0.00 H new ATOM 0 HA ILE A 426 3.105 6.957 2.702 1.00 0.00 H new ATOM 0 HB ILE A 426 0.834 8.973 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 426 1.617 7.485 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.266 7.027 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 426 2.038 10.334 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 426 3.067 10.017 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 426 3.314 9.096 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -0.494 8.471 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -0.748 9.286 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 426 0.624 9.751 0.274 1.00 0.00 H new ATOM 2043 N ALA A 427 3.617 7.176 5.340 1.00 0.00 N ATOM 2044 CA ALA A 427 4.299 7.682 6.569 1.00 0.00 C ATOM 2045 C ALA A 427 5.401 6.709 7.007 1.00 0.00 C ATOM 2046 O ALA A 427 5.233 5.950 7.942 1.00 0.00 O ATOM 2047 CB ALA A 427 3.198 7.759 7.629 1.00 0.00 C ATOM 0 H ALA A 427 3.687 6.169 5.191 1.00 0.00 H new ATOM 0 HA ALA A 427 4.778 8.648 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 427 3.620 8.124 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 427 2.417 8.441 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 427 2.773 6.768 7.784 1.00 0.00 H new