USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 401 ASN : amide:sc= -12.2! C(o=-16!,f=-23!) USER MOD Set 1.2: A 422 ASN : amide:sc= -3.61 K(o=-16,f=-13!) USER MOD Set 2.1: A 338 ASN : amide:sc= -1.1 K(o=-2,f=-0.85) USER MOD Set 2.2: A 398 ASN : amide:sc= -0.134 K(o=-2,f=-0.85) USER MOD Set 2.3: A 402 TYR OH : rot 30:sc= -0.794 USER MOD Single : A 325 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3!) USER MOD Single : A 327 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.3!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 404 THR OG1 : rot 141:sc= -0.601 USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot -58:sc= 1.2 USER MOD Single : A 421 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.3) USER MOD Single : A 423 SER OG : rot 99:sc= 1.26 USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -17.728 -7.448 -6.524 1.00 0.00 N ATOM 348 CA CYS A 320 -17.313 -6.090 -6.993 1.00 0.00 C ATOM 349 C CYS A 320 -17.014 -6.113 -8.495 1.00 0.00 C ATOM 350 O CYS A 320 -16.934 -7.162 -9.106 1.00 0.00 O ATOM 351 CB CYS A 320 -16.034 -5.758 -6.216 1.00 0.00 C ATOM 352 SG CYS A 320 -16.356 -5.790 -4.433 1.00 0.00 S ATOM 0 HA CYS A 320 -18.098 -5.353 -6.826 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -15.253 -6.476 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -15.667 -4.774 -6.509 1.00 0.00 H new ATOM 357 N GLU A 321 -16.837 -4.959 -9.083 1.00 0.00 N ATOM 358 CA GLU A 321 -16.525 -4.890 -10.542 1.00 0.00 C ATOM 359 C GLU A 321 -15.006 -4.922 -10.737 1.00 0.00 C ATOM 360 O GLU A 321 -14.256 -4.827 -9.784 1.00 0.00 O ATOM 361 CB GLU A 321 -17.102 -3.549 -11.003 1.00 0.00 C ATOM 362 CG GLU A 321 -16.896 -3.390 -12.511 1.00 0.00 C ATOM 363 CD GLU A 321 -17.957 -2.444 -13.077 1.00 0.00 C ATOM 364 OE1 GLU A 321 -19.120 -2.630 -12.757 1.00 0.00 O ATOM 365 OE2 GLU A 321 -17.589 -1.551 -13.822 1.00 0.00 O ATOM 0 H GLU A 321 -16.895 -4.056 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 321 -16.943 -5.723 -11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -18.164 -3.498 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -16.616 -2.731 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -15.899 -2.997 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -16.961 -4.361 -13.002 1.00 0.00 H new ATOM 372 N ASP A 322 -14.543 -5.060 -11.960 1.00 0.00 N ATOM 373 CA ASP A 322 -13.062 -5.101 -12.215 1.00 0.00 C ATOM 374 C ASP A 322 -12.357 -3.926 -11.520 1.00 0.00 C ATOM 375 O ASP A 322 -12.738 -2.781 -11.676 1.00 0.00 O ATOM 376 CB ASP A 322 -12.912 -4.995 -13.733 1.00 0.00 C ATOM 377 CG ASP A 322 -13.266 -6.337 -14.377 1.00 0.00 C ATOM 378 OD1 ASP A 322 -14.182 -6.980 -13.892 1.00 0.00 O ATOM 379 OD2 ASP A 322 -12.615 -6.698 -15.343 1.00 0.00 O ATOM 0 H ASP A 322 -15.126 -5.146 -12.793 1.00 0.00 H new ATOM 0 HA ASP A 322 -12.609 -6.012 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -13.564 -4.211 -14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -11.890 -4.715 -13.989 1.00 0.00 H new ATOM 384 N ILE A 323 -11.345 -4.214 -10.747 1.00 0.00 N ATOM 385 CA ILE A 323 -10.613 -3.131 -10.019 1.00 0.00 C ATOM 386 C ILE A 323 -9.914 -2.187 -11.014 1.00 0.00 C ATOM 387 O ILE A 323 -9.727 -2.540 -12.160 1.00 0.00 O ATOM 388 CB ILE A 323 -9.587 -3.859 -9.138 1.00 0.00 C ATOM 389 CG1 ILE A 323 -8.653 -4.708 -10.008 1.00 0.00 C ATOM 390 CG2 ILE A 323 -10.320 -4.772 -8.152 1.00 0.00 C ATOM 391 CD1 ILE A 323 -7.323 -4.916 -9.276 1.00 0.00 C ATOM 0 H ILE A 323 -10.990 -5.157 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 323 -11.285 -2.511 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 323 -8.999 -3.119 -8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -9.116 -5.671 -10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -8.481 -4.215 -10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -9.593 -5.289 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -10.980 -4.174 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -10.910 -5.504 -8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -6.658 -5.520 -9.894 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -6.859 -3.949 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -7.504 -5.428 -8.331 1.00 0.00 H new ATOM 403 N PRO A 324 -9.547 -1.009 -10.546 1.00 0.00 N ATOM 404 CA PRO A 324 -8.867 -0.026 -11.429 1.00 0.00 C ATOM 405 C PRO A 324 -7.474 -0.534 -11.812 1.00 0.00 C ATOM 406 O PRO A 324 -7.179 -1.704 -11.676 1.00 0.00 O ATOM 407 CB PRO A 324 -8.780 1.234 -10.568 1.00 0.00 C ATOM 408 CG PRO A 324 -8.838 0.737 -9.163 1.00 0.00 C ATOM 409 CD PRO A 324 -9.721 -0.479 -9.182 1.00 0.00 C ATOM 0 HA PRO A 324 -9.393 0.149 -12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -7.856 1.780 -10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -9.603 1.917 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -7.842 0.488 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -9.241 1.500 -8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -9.420 -1.206 -8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -10.761 -0.223 -8.980 1.00 0.00 H new ATOM 417 N HIS A 325 -6.626 0.335 -12.298 1.00 0.00 N ATOM 418 CA HIS A 325 -5.253 -0.100 -12.702 1.00 0.00 C ATOM 419 C HIS A 325 -4.224 0.240 -11.618 1.00 0.00 C ATOM 420 O HIS A 325 -4.068 1.382 -11.230 1.00 0.00 O ATOM 421 CB HIS A 325 -4.948 0.658 -14.003 1.00 0.00 C ATOM 422 CG HIS A 325 -5.017 2.147 -13.771 1.00 0.00 C ATOM 423 ND1 HIS A 325 -3.926 2.880 -13.332 1.00 0.00 N ATOM 424 CD2 HIS A 325 -6.038 3.052 -13.922 1.00 0.00 C ATOM 425 CE1 HIS A 325 -4.312 4.165 -13.234 1.00 0.00 C ATOM 426 NE2 HIS A 325 -5.591 4.325 -13.582 1.00 0.00 N ATOM 0 H HIS A 325 -6.823 1.327 -12.433 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.201 -1.180 -12.842 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -3.957 0.385 -14.367 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -5.661 0.370 -14.775 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -7.037 2.812 -14.254 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -3.666 4.969 -12.913 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -6.125 5.194 -13.596 1.00 0.00 H new ATOM 434 N VAL A 326 -3.513 -0.751 -11.141 1.00 0.00 N ATOM 435 CA VAL A 326 -2.475 -0.507 -10.096 1.00 0.00 C ATOM 436 C VAL A 326 -1.161 -1.169 -10.519 1.00 0.00 C ATOM 437 O VAL A 326 -1.149 -2.051 -11.357 1.00 0.00 O ATOM 438 CB VAL A 326 -3.019 -1.137 -8.806 1.00 0.00 C ATOM 439 CG1 VAL A 326 -4.351 -0.480 -8.438 1.00 0.00 C ATOM 440 CG2 VAL A 326 -3.234 -2.643 -8.995 1.00 0.00 C ATOM 0 H VAL A 326 -3.609 -1.724 -11.433 1.00 0.00 H new ATOM 0 HA VAL A 326 -2.273 0.555 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 326 -2.294 -0.979 -8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -4.737 -0.928 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -4.199 0.588 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -5.067 -0.632 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -3.620 -3.074 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.950 -2.810 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -2.286 -3.117 -9.248 1.00 0.00 H new ATOM 450 N ASN A 327 -0.061 -0.753 -9.949 1.00 0.00 N ATOM 451 CA ASN A 327 1.249 -1.361 -10.323 1.00 0.00 C ATOM 452 C ASN A 327 1.536 -2.572 -9.432 1.00 0.00 C ATOM 453 O ASN A 327 1.341 -2.531 -8.231 1.00 0.00 O ATOM 454 CB ASN A 327 2.281 -0.258 -10.090 1.00 0.00 C ATOM 455 CG ASN A 327 2.529 0.494 -11.399 1.00 0.00 C ATOM 456 OD1 ASN A 327 1.651 1.167 -11.902 1.00 0.00 O ATOM 457 ND2 ASN A 327 3.695 0.407 -11.976 1.00 0.00 N ATOM 0 H ASN A 327 -0.013 -0.020 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 327 1.265 -1.715 -11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 327 1.926 0.431 -9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.213 -0.689 -9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 327 3.870 0.904 -12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 327 4.432 -0.158 -11.554 1.00 0.00 H new ATOM 464 N GLU A 328 1.986 -3.651 -10.018 1.00 0.00 N ATOM 465 CA GLU A 328 2.280 -4.879 -9.218 1.00 0.00 C ATOM 466 C GLU A 328 3.767 -5.233 -9.314 1.00 0.00 C ATOM 467 O GLU A 328 4.352 -5.211 -10.380 1.00 0.00 O ATOM 468 CB GLU A 328 1.424 -5.976 -9.851 1.00 0.00 C ATOM 469 CG GLU A 328 -0.057 -5.609 -9.721 1.00 0.00 C ATOM 470 CD GLU A 328 -0.845 -6.244 -10.868 1.00 0.00 C ATOM 471 OE1 GLU A 328 -0.932 -7.461 -10.898 1.00 0.00 O ATOM 472 OE2 GLU A 328 -1.348 -5.504 -11.697 1.00 0.00 O ATOM 0 H GLU A 328 2.163 -3.736 -11.019 1.00 0.00 H new ATOM 0 HA GLU A 328 2.056 -4.746 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.688 -6.097 -10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 328 1.617 -6.930 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 328 -0.445 -5.956 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 328 -0.177 -4.526 -9.740 1.00 0.00 H new ATOM 479 N PHE A 329 4.374 -5.562 -8.203 1.00 0.00 N ATOM 480 CA PHE A 329 5.823 -5.925 -8.209 1.00 0.00 C ATOM 481 C PHE A 329 6.004 -7.362 -7.693 1.00 0.00 C ATOM 482 O PHE A 329 6.026 -7.584 -6.498 1.00 0.00 O ATOM 483 CB PHE A 329 6.487 -4.925 -7.255 1.00 0.00 C ATOM 484 CG PHE A 329 7.226 -3.870 -8.048 1.00 0.00 C ATOM 485 CD1 PHE A 329 6.545 -3.103 -9.001 1.00 0.00 C ATOM 486 CD2 PHE A 329 8.592 -3.660 -7.827 1.00 0.00 C ATOM 487 CE1 PHE A 329 7.231 -2.126 -9.732 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.278 -2.684 -8.559 1.00 0.00 C ATOM 489 CZ PHE A 329 8.597 -1.916 -9.511 1.00 0.00 C ATOM 0 H PHE A 329 3.926 -5.595 -7.287 1.00 0.00 H new ATOM 0 HA PHE A 329 6.258 -5.884 -9.207 1.00 0.00 H new ATOM 0 HB2 PHE A 329 5.733 -4.456 -6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.179 -5.445 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 329 5.491 -3.265 -9.172 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.117 -4.251 -7.091 1.00 0.00 H new ATOM 0 HE1 PHE A 329 6.706 -1.534 -10.467 1.00 0.00 H new ATOM 0 HE2 PHE A 329 10.332 -2.523 -8.389 1.00 0.00 H new ATOM 0 HZ PHE A 329 9.126 -1.162 -10.075 1.00 0.00 H new ATOM 499 N PRO A 330 6.126 -8.305 -8.606 1.00 0.00 N ATOM 500 CA PRO A 330 6.301 -9.723 -8.200 1.00 0.00 C ATOM 501 C PRO A 330 7.707 -9.952 -7.638 1.00 0.00 C ATOM 502 O PRO A 330 7.877 -10.589 -6.615 1.00 0.00 O ATOM 503 CB PRO A 330 6.104 -10.499 -9.500 1.00 0.00 C ATOM 504 CG PRO A 330 6.445 -9.530 -10.587 1.00 0.00 C ATOM 505 CD PRO A 330 6.113 -8.153 -10.072 1.00 0.00 C ATOM 0 HA PRO A 330 5.607 -10.030 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 330 6.750 -11.376 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 330 5.078 -10.854 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 330 7.501 -9.600 -10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 330 5.878 -9.750 -11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 330 6.845 -7.416 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.139 -7.818 -10.429 1.00 0.00 H new ATOM 513 N ALA A 331 8.713 -9.442 -8.302 1.00 0.00 N ATOM 514 CA ALA A 331 10.113 -9.629 -7.813 1.00 0.00 C ATOM 515 C ALA A 331 10.466 -8.549 -6.788 1.00 0.00 C ATOM 516 O ALA A 331 10.491 -7.372 -7.097 1.00 0.00 O ATOM 517 CB ALA A 331 10.988 -9.494 -9.059 1.00 0.00 C ATOM 0 H ALA A 331 8.625 -8.903 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 331 10.253 -10.590 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.035 -9.619 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 331 10.709 -10.259 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 331 10.844 -8.507 -9.499 1.00 0.00 H new ATOM 523 N ILE A 332 10.742 -8.944 -5.572 1.00 0.00 N ATOM 524 CA ILE A 332 11.098 -7.949 -4.516 1.00 0.00 C ATOM 525 C ILE A 332 12.174 -8.527 -3.588 1.00 0.00 C ATOM 526 O ILE A 332 12.264 -8.176 -2.426 1.00 0.00 O ATOM 527 CB ILE A 332 9.787 -7.693 -3.763 1.00 0.00 C ATOM 528 CG1 ILE A 332 10.021 -6.646 -2.670 1.00 0.00 C ATOM 529 CG2 ILE A 332 9.282 -8.992 -3.127 1.00 0.00 C ATOM 530 CD1 ILE A 332 8.770 -5.780 -2.513 1.00 0.00 C ATOM 0 H ILE A 332 10.736 -9.916 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 332 11.510 -7.027 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 332 9.039 -7.328 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 332 10.256 -7.137 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 332 10.877 -6.023 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 332 8.351 -8.798 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 332 9.108 -9.735 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 332 10.028 -9.369 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 332 8.938 -5.036 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 332 8.555 -5.277 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 332 7.924 -6.409 -2.236 1.00 0.00 H new ATOM 542 N ASP A 333 12.988 -9.414 -4.099 1.00 0.00 N ATOM 543 CA ASP A 333 14.062 -10.026 -3.257 1.00 0.00 C ATOM 544 C ASP A 333 15.368 -9.232 -3.394 1.00 0.00 C ATOM 545 O ASP A 333 16.078 -9.022 -2.429 1.00 0.00 O ATOM 546 CB ASP A 333 14.232 -11.455 -3.790 1.00 0.00 C ATOM 547 CG ASP A 333 14.632 -11.423 -5.269 1.00 0.00 C ATOM 548 OD1 ASP A 333 13.854 -10.919 -6.061 1.00 0.00 O ATOM 549 OD2 ASP A 333 15.710 -11.903 -5.580 1.00 0.00 O ATOM 0 H ASP A 333 12.956 -9.742 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 333 13.804 -10.021 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 333 14.993 -11.979 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 333 13.301 -12.009 -3.669 1.00 0.00 H new ATOM 554 N LEU A 334 15.684 -8.793 -4.586 1.00 0.00 N ATOM 555 CA LEU A 334 16.942 -8.013 -4.793 1.00 0.00 C ATOM 556 C LEU A 334 16.638 -6.513 -4.804 1.00 0.00 C ATOM 557 O LEU A 334 17.423 -5.709 -4.336 1.00 0.00 O ATOM 558 CB LEU A 334 17.470 -8.464 -6.155 1.00 0.00 C ATOM 559 CG LEU A 334 18.994 -8.338 -6.179 1.00 0.00 C ATOM 560 CD1 LEU A 334 19.581 -9.399 -7.112 1.00 0.00 C ATOM 561 CD2 LEU A 334 19.383 -6.946 -6.683 1.00 0.00 C ATOM 0 H LEU A 334 15.124 -8.941 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 334 17.669 -8.184 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 334 17.177 -9.496 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 334 17.032 -7.856 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 334 19.385 -8.484 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 334 20.667 -9.308 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 334 19.305 -10.391 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 334 19.190 -9.255 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 334 20.469 -6.856 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 334 18.991 -6.801 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 334 18.967 -6.189 -6.019 1.00 0.00 H new ATOM 573 N PHE A 335 15.502 -6.133 -5.332 1.00 0.00 N ATOM 574 CA PHE A 335 15.137 -4.685 -5.377 1.00 0.00 C ATOM 575 C PHE A 335 14.008 -4.395 -4.384 1.00 0.00 C ATOM 576 O PHE A 335 13.634 -5.242 -3.595 1.00 0.00 O ATOM 577 CB PHE A 335 14.668 -4.439 -6.811 1.00 0.00 C ATOM 578 CG PHE A 335 15.840 -4.579 -7.754 1.00 0.00 C ATOM 579 CD1 PHE A 335 16.643 -3.469 -8.041 1.00 0.00 C ATOM 580 CD2 PHE A 335 16.123 -5.819 -8.340 1.00 0.00 C ATOM 581 CE1 PHE A 335 17.730 -3.599 -8.915 1.00 0.00 C ATOM 582 CE2 PHE A 335 17.210 -5.949 -9.213 1.00 0.00 C ATOM 583 CZ PHE A 335 18.013 -4.838 -9.500 1.00 0.00 C ATOM 0 H PHE A 335 14.810 -6.765 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 335 15.972 -4.039 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 335 13.886 -5.151 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 335 14.235 -3.443 -6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 335 16.425 -2.513 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 335 15.503 -6.675 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 335 18.350 -2.743 -9.137 1.00 0.00 H new ATOM 0 HE2 PHE A 335 17.429 -6.905 -9.665 1.00 0.00 H new ATOM 0 HZ PHE A 335 18.851 -4.938 -10.173 1.00 0.00 H new ATOM 593 N GLU A 336 13.467 -3.203 -4.417 1.00 0.00 N ATOM 594 CA GLU A 336 12.363 -2.851 -3.474 1.00 0.00 C ATOM 595 C GLU A 336 11.217 -2.170 -4.226 1.00 0.00 C ATOM 596 O GLU A 336 11.410 -1.596 -5.282 1.00 0.00 O ATOM 597 CB GLU A 336 12.994 -1.886 -2.471 1.00 0.00 C ATOM 598 CG GLU A 336 13.834 -2.674 -1.463 1.00 0.00 C ATOM 599 CD GLU A 336 14.486 -1.706 -0.474 1.00 0.00 C ATOM 600 OE1 GLU A 336 13.757 -1.059 0.259 1.00 0.00 O ATOM 601 OE2 GLU A 336 15.703 -1.628 -0.468 1.00 0.00 O ATOM 0 H GLU A 336 13.743 -2.458 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 336 11.942 -3.730 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.618 -1.160 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.217 -1.324 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 336 13.206 -3.387 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 336 14.600 -3.250 -1.983 1.00 0.00 H new ATOM 608 N CYS A 337 10.027 -2.229 -3.686 1.00 0.00 N ATOM 609 CA CYS A 337 8.857 -1.582 -4.360 1.00 0.00 C ATOM 610 C CYS A 337 9.000 -0.059 -4.316 1.00 0.00 C ATOM 611 O CYS A 337 8.500 0.643 -5.175 1.00 0.00 O ATOM 612 CB CYS A 337 7.629 -2.028 -3.557 1.00 0.00 C ATOM 613 SG CYS A 337 6.841 -3.441 -4.373 1.00 0.00 S ATOM 0 H CYS A 337 9.813 -2.698 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 337 8.779 -1.867 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.925 -2.300 -2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.920 -1.204 -3.472 1.00 0.00 H new ATOM 618 N ASN A 338 9.677 0.455 -3.320 1.00 0.00 N ATOM 619 CA ASN A 338 9.855 1.935 -3.214 1.00 0.00 C ATOM 620 C ASN A 338 11.191 2.355 -3.838 1.00 0.00 C ATOM 621 O ASN A 338 11.925 3.146 -3.276 1.00 0.00 O ATOM 622 CB ASN A 338 9.834 2.237 -1.710 1.00 0.00 C ATOM 623 CG ASN A 338 10.976 1.495 -1.006 1.00 0.00 C ATOM 624 OD1 ASN A 338 12.092 1.971 -0.969 1.00 0.00 O ATOM 625 ND2 ASN A 338 10.740 0.342 -0.442 1.00 0.00 N ATOM 0 H ASN A 338 10.114 -0.087 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 338 9.076 2.483 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 338 9.932 3.310 -1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 338 8.877 1.935 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 338 11.493 -0.159 0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 338 9.802 -0.058 -0.473 1.00 0.00 H new ATOM 632 N LYS A 339 11.507 1.828 -4.994 1.00 0.00 N ATOM 633 CA LYS A 339 12.793 2.190 -5.661 1.00 0.00 C ATOM 634 C LYS A 339 12.562 2.460 -7.151 1.00 0.00 C ATOM 635 O LYS A 339 13.100 1.780 -8.006 1.00 0.00 O ATOM 636 CB LYS A 339 13.696 0.969 -5.466 1.00 0.00 C ATOM 637 CG LYS A 339 15.159 1.378 -5.661 1.00 0.00 C ATOM 638 CD LYS A 339 15.927 0.231 -6.323 1.00 0.00 C ATOM 639 CE LYS A 339 16.628 -0.605 -5.249 1.00 0.00 C ATOM 640 NZ LYS A 339 17.961 0.035 -5.073 1.00 0.00 N ATOM 0 H LYS A 339 10.928 1.161 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 339 13.235 3.095 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.553 0.554 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 339 13.428 0.188 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 339 15.218 2.274 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 339 15.610 1.624 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 339 15.243 -0.395 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 339 16.660 0.628 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 339 16.063 -0.604 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 339 16.727 -1.645 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 18.502 -0.482 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 18.478 0.013 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 17.835 1.022 -4.770 1.00 0.00 H new ATOM 654 N LEU A 340 11.764 3.450 -7.465 1.00 0.00 N ATOM 655 CA LEU A 340 11.493 3.772 -8.898 1.00 0.00 C ATOM 656 C LEU A 340 11.324 5.284 -9.082 1.00 0.00 C ATOM 657 O LEU A 340 10.903 5.986 -8.179 1.00 0.00 O ATOM 658 CB LEU A 340 10.196 3.030 -9.245 1.00 0.00 C ATOM 659 CG LEU A 340 9.064 3.476 -8.311 1.00 0.00 C ATOM 660 CD1 LEU A 340 7.740 3.472 -9.077 1.00 0.00 C ATOM 661 CD2 LEU A 340 8.970 2.508 -7.128 1.00 0.00 C ATOM 0 H LEU A 340 11.289 4.049 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 340 12.313 3.468 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 340 9.921 3.228 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 340 10.349 1.954 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 340 9.269 4.482 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 340 6.935 3.789 -8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 340 7.806 4.158 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 340 7.534 2.466 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.166 2.823 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.764 1.503 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 340 9.913 2.508 -6.582 1.00 0.00 H new ATOM 673 N VAL A 341 11.648 5.785 -10.245 1.00 0.00 N ATOM 674 CA VAL A 341 11.511 7.252 -10.504 1.00 0.00 C ATOM 675 C VAL A 341 10.165 7.533 -11.194 1.00 0.00 C ATOM 676 O VAL A 341 9.197 6.833 -10.969 1.00 0.00 O ATOM 677 CB VAL A 341 12.704 7.610 -11.409 1.00 0.00 C ATOM 678 CG1 VAL A 341 14.013 7.271 -10.689 1.00 0.00 C ATOM 679 CG2 VAL A 341 12.630 6.817 -12.720 1.00 0.00 C ATOM 0 H VAL A 341 12.003 5.240 -11.031 1.00 0.00 H new ATOM 0 HA VAL A 341 11.520 7.849 -9.592 1.00 0.00 H new ATOM 0 HB VAL A 341 12.670 8.676 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 341 14.857 7.525 -11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 341 14.077 7.841 -9.762 1.00 0.00 H new ATOM 0 HG13 VAL A 341 14.038 6.205 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 341 13.479 7.079 -13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 341 12.656 5.749 -12.501 1.00 0.00 H new ATOM 0 HG23 VAL A 341 11.703 7.059 -13.240 1.00 0.00 H new ATOM 689 N PHE A 342 10.094 8.548 -12.028 1.00 0.00 N ATOM 690 CA PHE A 342 8.808 8.862 -12.727 1.00 0.00 C ATOM 691 C PHE A 342 8.483 7.761 -13.743 1.00 0.00 C ATOM 692 O PHE A 342 8.620 7.945 -14.938 1.00 0.00 O ATOM 693 CB PHE A 342 9.055 10.197 -13.437 1.00 0.00 C ATOM 694 CG PHE A 342 7.792 10.653 -14.128 1.00 0.00 C ATOM 695 CD1 PHE A 342 6.785 11.295 -13.396 1.00 0.00 C ATOM 696 CD2 PHE A 342 7.629 10.438 -15.502 1.00 0.00 C ATOM 697 CE1 PHE A 342 5.615 11.720 -14.038 1.00 0.00 C ATOM 698 CE2 PHE A 342 6.459 10.864 -16.144 1.00 0.00 C ATOM 699 CZ PHE A 342 5.453 11.504 -15.412 1.00 0.00 C ATOM 0 H PHE A 342 10.871 9.170 -12.253 1.00 0.00 H new ATOM 0 HA PHE A 342 7.965 8.921 -12.039 1.00 0.00 H new ATOM 0 HB2 PHE A 342 9.377 10.948 -12.716 1.00 0.00 H new ATOM 0 HB3 PHE A 342 9.859 10.089 -14.165 1.00 0.00 H new ATOM 0 HD1 PHE A 342 6.911 11.462 -12.336 1.00 0.00 H new ATOM 0 HD2 PHE A 342 8.405 9.944 -16.067 1.00 0.00 H new ATOM 0 HE1 PHE A 342 4.838 12.214 -13.474 1.00 0.00 H new ATOM 0 HE2 PHE A 342 6.334 10.698 -17.204 1.00 0.00 H new ATOM 0 HZ PHE A 342 4.551 11.832 -15.907 1.00 0.00 H new ATOM 709 N GLU A 343 8.059 6.617 -13.270 1.00 0.00 N ATOM 710 CA GLU A 343 7.727 5.491 -14.194 1.00 0.00 C ATOM 711 C GLU A 343 6.284 5.029 -13.972 1.00 0.00 C ATOM 712 O GLU A 343 5.580 4.703 -14.909 1.00 0.00 O ATOM 713 CB GLU A 343 8.710 4.379 -13.824 1.00 0.00 C ATOM 714 CG GLU A 343 8.509 3.183 -14.759 1.00 0.00 C ATOM 715 CD GLU A 343 7.555 2.177 -14.111 1.00 0.00 C ATOM 716 OE1 GLU A 343 7.594 2.047 -12.899 1.00 0.00 O ATOM 717 OE2 GLU A 343 6.801 1.552 -14.840 1.00 0.00 O ATOM 0 H GLU A 343 7.928 6.414 -12.279 1.00 0.00 H new ATOM 0 HA GLU A 343 7.808 5.778 -15.242 1.00 0.00 H new ATOM 0 HB2 GLU A 343 9.734 4.745 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 343 8.557 4.074 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 343 8.105 3.519 -15.714 1.00 0.00 H new ATOM 0 HG3 GLU A 343 9.467 2.707 -14.968 1.00 0.00 H new ATOM 724 N LEU A 344 5.841 4.997 -12.740 1.00 0.00 N ATOM 725 CA LEU A 344 4.441 4.553 -12.454 1.00 0.00 C ATOM 726 C LEU A 344 3.435 5.554 -13.033 1.00 0.00 C ATOM 727 O LEU A 344 2.312 5.204 -13.344 1.00 0.00 O ATOM 728 CB LEU A 344 4.335 4.513 -10.927 1.00 0.00 C ATOM 729 CG LEU A 344 3.121 3.675 -10.522 1.00 0.00 C ATOM 730 CD1 LEU A 344 3.428 2.927 -9.222 1.00 0.00 C ATOM 731 CD2 LEU A 344 1.914 4.593 -10.309 1.00 0.00 C ATOM 0 H LEU A 344 6.388 5.259 -11.920 1.00 0.00 H new ATOM 0 HA LEU A 344 4.221 3.585 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 344 5.243 4.087 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.240 5.524 -10.532 1.00 0.00 H new ATOM 0 HG LEU A 344 2.897 2.957 -11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 344 2.563 2.330 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.287 2.273 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.653 3.645 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 344 1.049 3.996 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 344 2.138 5.312 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 344 1.695 5.126 -11.234 1.00 0.00 H new ATOM 1585 N ASN A 398 9.243 5.625 1.802 1.00 0.00 N ATOM 1586 CA ASN A 398 8.460 4.451 1.313 1.00 0.00 C ATOM 1587 C ASN A 398 6.989 4.834 1.128 1.00 0.00 C ATOM 1588 O ASN A 398 6.432 5.586 1.904 1.00 0.00 O ATOM 1589 CB ASN A 398 8.604 3.396 2.412 1.00 0.00 C ATOM 1590 CG ASN A 398 9.864 2.565 2.160 1.00 0.00 C ATOM 1591 OD1 ASN A 398 10.917 3.104 1.885 1.00 0.00 O ATOM 1592 ND2 ASN A 398 9.799 1.264 2.246 1.00 0.00 N ATOM 0 HA ASN A 398 8.817 4.089 0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 398 8.663 3.878 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 398 7.726 2.750 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 398 10.633 0.700 2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 398 8.914 0.812 2.477 1.00 0.00 H new ATOM 1599 N TRP A 399 6.358 4.316 0.103 1.00 0.00 N ATOM 1600 CA TRP A 399 4.919 4.641 -0.143 1.00 0.00 C ATOM 1601 C TRP A 399 4.267 3.544 -0.994 1.00 0.00 C ATOM 1602 O TRP A 399 3.639 3.820 -1.999 1.00 0.00 O ATOM 1603 CB TRP A 399 4.927 5.983 -0.891 1.00 0.00 C ATOM 1604 CG TRP A 399 5.686 5.856 -2.178 1.00 0.00 C ATOM 1605 CD1 TRP A 399 7.035 5.850 -2.288 1.00 0.00 C ATOM 1606 CD2 TRP A 399 5.164 5.713 -3.530 1.00 0.00 C ATOM 1607 NE1 TRP A 399 7.373 5.714 -3.622 1.00 0.00 N ATOM 1608 CE2 TRP A 399 6.255 5.625 -4.428 1.00 0.00 C ATOM 1609 CE3 TRP A 399 3.863 5.651 -4.061 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 6.062 5.482 -5.802 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 3.665 5.508 -5.445 1.00 0.00 C ATOM 1612 CH2 TRP A 399 4.762 5.423 -6.313 1.00 0.00 C ATOM 0 H TRP A 399 6.779 3.681 -0.575 1.00 0.00 H new ATOM 0 HA TRP A 399 4.347 4.703 0.783 1.00 0.00 H new ATOM 0 HB2 TRP A 399 3.904 6.300 -1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 399 5.382 6.752 -0.267 1.00 0.00 H new ATOM 0 HD1 TRP A 399 7.733 5.937 -1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 399 8.332 5.683 -3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 399 3.011 5.714 -3.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 6.911 5.417 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 2.662 5.463 -5.842 1.00 0.00 H new ATOM 0 HH2 TRP A 399 4.603 5.312 -7.376 1.00 0.00 H new ATOM 1623 N GLY A 400 4.418 2.305 -0.598 1.00 0.00 N ATOM 1624 CA GLY A 400 3.816 1.186 -1.381 1.00 0.00 C ATOM 1625 C GLY A 400 3.017 0.275 -0.448 1.00 0.00 C ATOM 1626 O GLY A 400 2.993 0.473 0.752 1.00 0.00 O ATOM 0 H GLY A 400 4.933 2.021 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.166 1.583 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 400 4.600 0.615 -1.879 1.00 0.00 H new ATOM 1630 N ASN A 401 2.364 -0.725 -0.991 1.00 0.00 N ATOM 1631 CA ASN A 401 1.567 -1.652 -0.135 1.00 0.00 C ATOM 1632 C ASN A 401 2.200 -3.052 -0.128 1.00 0.00 C ATOM 1633 O ASN A 401 2.703 -3.527 -1.134 1.00 0.00 O ATOM 1634 CB ASN A 401 0.159 -1.662 -0.751 1.00 0.00 C ATOM 1635 CG ASN A 401 0.201 -2.225 -2.175 1.00 0.00 C ATOM 1636 OD1 ASN A 401 0.586 -3.357 -2.380 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -0.181 -1.478 -3.174 1.00 0.00 N ATOM 0 H ASN A 401 2.350 -0.937 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 401 1.535 -1.333 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.510 -2.264 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.245 -0.650 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.156 -1.846 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.505 -0.526 -3.004 1.00 0.00 H new ATOM 1644 N TYR A 402 2.196 -3.704 1.011 1.00 0.00 N ATOM 1645 CA TYR A 402 2.813 -5.063 1.110 1.00 0.00 C ATOM 1646 C TYR A 402 1.879 -6.031 1.850 1.00 0.00 C ATOM 1647 O TYR A 402 1.578 -5.840 3.013 1.00 0.00 O ATOM 1648 CB TYR A 402 4.094 -4.863 1.929 1.00 0.00 C ATOM 1649 CG TYR A 402 5.014 -3.877 1.245 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.755 -2.503 1.325 1.00 0.00 C ATOM 1651 CD2 TYR A 402 6.134 -4.337 0.542 1.00 0.00 C ATOM 1652 CE1 TYR A 402 5.613 -1.591 0.699 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.991 -3.424 -0.084 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.731 -2.051 -0.005 1.00 0.00 C ATOM 1655 OH TYR A 402 7.577 -1.153 -0.621 1.00 0.00 O ATOM 0 H TYR A 402 1.790 -3.351 1.878 1.00 0.00 H new ATOM 0 HA TYR A 402 3.006 -5.487 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.842 -4.502 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.604 -5.818 2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.893 -2.147 1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 402 6.337 -5.396 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 402 5.412 -0.532 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.853 -3.779 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 402 7.575 -0.308 -0.124 1.00 0.00 H new ATOM 1665 N ASN A 403 1.433 -7.074 1.193 1.00 0.00 N ATOM 1666 CA ASN A 403 0.542 -8.068 1.868 1.00 0.00 C ATOM 1667 C ASN A 403 0.694 -9.435 1.203 1.00 0.00 C ATOM 1668 O ASN A 403 -0.019 -9.755 0.269 1.00 0.00 O ATOM 1669 CB ASN A 403 -0.878 -7.538 1.682 1.00 0.00 C ATOM 1670 CG ASN A 403 -1.867 -8.452 2.409 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -1.882 -8.504 3.623 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -2.697 -9.179 1.714 1.00 0.00 N ATOM 0 H ASN A 403 1.648 -7.280 0.217 1.00 0.00 H new ATOM 0 HA ASN A 403 0.788 -8.190 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -0.952 -6.523 2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -1.123 -7.491 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -3.359 -9.792 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -2.684 -9.135 0.695 1.00 0.00 H new ATOM 1679 N THR A 404 1.613 -10.243 1.666 1.00 0.00 N ATOM 1680 CA THR A 404 1.801 -11.587 1.042 1.00 0.00 C ATOM 1681 C THR A 404 2.354 -12.592 2.052 1.00 0.00 C ATOM 1682 O THR A 404 3.055 -12.235 2.980 1.00 0.00 O ATOM 1683 CB THR A 404 2.807 -11.363 -0.088 1.00 0.00 C ATOM 1684 OG1 THR A 404 2.524 -10.132 -0.740 1.00 0.00 O ATOM 1685 CG2 THR A 404 2.707 -12.511 -1.092 1.00 0.00 C ATOM 0 H THR A 404 2.238 -10.032 2.444 1.00 0.00 H new ATOM 0 HA THR A 404 0.857 -11.997 0.683 1.00 0.00 H new ATOM 0 HB THR A 404 3.816 -11.328 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 404 3.364 -9.682 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 404 3.423 -12.353 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 404 2.927 -13.453 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 404 1.699 -12.547 -1.505 1.00 0.00 H new ATOM 1693 N GLU A 405 2.060 -13.850 1.855 1.00 0.00 N ATOM 1694 CA GLU A 405 2.583 -14.903 2.773 1.00 0.00 C ATOM 1695 C GLU A 405 3.911 -15.457 2.232 1.00 0.00 C ATOM 1696 O GLU A 405 4.663 -16.089 2.949 1.00 0.00 O ATOM 1697 CB GLU A 405 1.509 -15.991 2.781 1.00 0.00 C ATOM 1698 CG GLU A 405 0.587 -15.792 3.987 1.00 0.00 C ATOM 1699 CD GLU A 405 0.075 -17.148 4.471 1.00 0.00 C ATOM 1700 OE1 GLU A 405 0.831 -18.104 4.401 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -1.064 -17.210 4.902 1.00 0.00 O ATOM 0 H GLU A 405 1.476 -14.195 1.093 1.00 0.00 H new ATOM 0 HA GLU A 405 2.780 -14.522 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.931 -15.952 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 405 1.974 -16.976 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 405 1.125 -15.288 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -0.252 -15.152 3.714 1.00 0.00 H new ATOM 1708 N THR A 406 4.205 -15.216 0.973 1.00 0.00 N ATOM 1709 CA THR A 406 5.488 -15.718 0.383 1.00 0.00 C ATOM 1710 C THR A 406 6.367 -14.530 -0.051 1.00 0.00 C ATOM 1711 O THR A 406 7.180 -14.054 0.720 1.00 0.00 O ATOM 1712 CB THR A 406 5.121 -16.638 -0.814 1.00 0.00 C ATOM 1713 OG1 THR A 406 6.206 -16.665 -1.733 1.00 0.00 O ATOM 1714 CG2 THR A 406 3.855 -16.167 -1.555 1.00 0.00 C ATOM 0 H THR A 406 3.611 -14.693 0.330 1.00 0.00 H new ATOM 0 HA THR A 406 6.065 -16.287 1.112 1.00 0.00 H new ATOM 0 HB THR A 406 4.921 -17.631 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 406 5.980 -17.246 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 406 3.644 -16.845 -2.382 1.00 0.00 H new ATOM 0 HG22 THR A 406 3.011 -16.162 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 406 4.013 -15.161 -1.942 1.00 0.00 H new ATOM 1722 N GLN A 407 6.222 -14.046 -1.266 1.00 0.00 N ATOM 1723 CA GLN A 407 7.064 -12.895 -1.716 1.00 0.00 C ATOM 1724 C GLN A 407 6.368 -12.105 -2.831 1.00 0.00 C ATOM 1725 O GLN A 407 6.677 -12.263 -3.998 1.00 0.00 O ATOM 1726 CB GLN A 407 8.353 -13.532 -2.237 1.00 0.00 C ATOM 1727 CG GLN A 407 9.382 -12.439 -2.532 1.00 0.00 C ATOM 1728 CD GLN A 407 10.265 -12.222 -1.303 1.00 0.00 C ATOM 1729 OE1 GLN A 407 9.936 -11.441 -0.432 1.00 0.00 O ATOM 1730 NE2 GLN A 407 11.383 -12.887 -1.192 1.00 0.00 N ATOM 0 H GLN A 407 5.561 -14.398 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 407 7.248 -12.187 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.750 -14.230 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 407 8.148 -14.106 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.995 -12.724 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 407 8.876 -11.511 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 407 11.661 -13.543 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.979 -12.751 -0.375 1.00 0.00 H new ATOM 1739 N LYS A 408 5.442 -11.243 -2.480 1.00 0.00 N ATOM 1740 CA LYS A 408 4.738 -10.428 -3.518 1.00 0.00 C ATOM 1741 C LYS A 408 4.608 -8.980 -3.034 1.00 0.00 C ATOM 1742 O LYS A 408 4.611 -8.715 -1.847 1.00 0.00 O ATOM 1743 CB LYS A 408 3.359 -11.071 -3.675 1.00 0.00 C ATOM 1744 CG LYS A 408 2.738 -10.628 -5.002 1.00 0.00 C ATOM 1745 CD LYS A 408 3.113 -11.622 -6.103 1.00 0.00 C ATOM 1746 CE LYS A 408 2.774 -11.022 -7.471 1.00 0.00 C ATOM 1747 NZ LYS A 408 2.196 -12.151 -8.253 1.00 0.00 N ATOM 0 H LYS A 408 5.145 -11.070 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 408 5.277 -10.407 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.447 -12.157 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 408 2.714 -10.782 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 408 1.654 -10.569 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.090 -9.630 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 408 4.176 -11.855 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 408 2.574 -12.559 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.063 -10.202 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 408 3.663 -10.619 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 1.938 -11.818 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 2.898 -12.914 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 1.348 -12.509 -7.770 1.00 0.00 H new ATOM 1761 N CYS A 409 4.505 -8.044 -3.944 1.00 0.00 N ATOM 1762 CA CYS A 409 4.385 -6.611 -3.538 1.00 0.00 C ATOM 1763 C CYS A 409 3.633 -5.814 -4.608 1.00 0.00 C ATOM 1764 O CYS A 409 3.686 -6.129 -5.780 1.00 0.00 O ATOM 1765 CB CYS A 409 5.832 -6.126 -3.417 1.00 0.00 C ATOM 1766 SG CYS A 409 5.862 -4.393 -2.885 1.00 0.00 S ATOM 0 H CYS A 409 4.499 -8.211 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 409 3.828 -6.484 -2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.373 -6.744 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 409 6.340 -6.230 -4.376 1.00 0.00 H new ATOM 1771 N GLU A 410 2.942 -4.778 -4.206 1.00 0.00 N ATOM 1772 CA GLU A 410 2.189 -3.942 -5.190 1.00 0.00 C ATOM 1773 C GLU A 410 2.165 -2.490 -4.705 1.00 0.00 C ATOM 1774 O GLU A 410 2.526 -2.208 -3.578 1.00 0.00 O ATOM 1775 CB GLU A 410 0.773 -4.527 -5.223 1.00 0.00 C ATOM 1776 CG GLU A 410 0.811 -5.948 -5.791 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.618 -6.459 -5.981 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.460 -6.123 -5.164 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -0.846 -7.180 -6.938 1.00 0.00 O ATOM 0 H GLU A 410 2.866 -4.474 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 410 2.642 -3.950 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.351 -4.539 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.124 -3.899 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 410 1.341 -5.956 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 410 1.357 -6.607 -5.116 1.00 0.00 H new ATOM 1786 N ILE A 411 1.752 -1.568 -5.541 1.00 0.00 N ATOM 1787 CA ILE A 411 1.712 -0.134 -5.117 1.00 0.00 C ATOM 1788 C ILE A 411 0.652 0.643 -5.909 1.00 0.00 C ATOM 1789 O ILE A 411 0.469 0.437 -7.093 1.00 0.00 O ATOM 1790 CB ILE A 411 3.114 0.443 -5.391 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.503 0.270 -6.885 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.149 -0.212 -4.463 1.00 0.00 C ATOM 1793 CD1 ILE A 411 3.971 -1.161 -7.215 1.00 0.00 C ATOM 0 H ILE A 411 1.442 -1.746 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 411 1.447 -0.050 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 411 3.098 1.512 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 411 2.647 0.521 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.297 0.974 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.135 0.204 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.881 -0.018 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 411 4.166 -1.288 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 411 4.230 -1.224 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 411 4.845 -1.406 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 411 3.169 -1.866 -6.995 1.00 0.00 H new ATOM 1805 N PHE A 412 -0.036 1.547 -5.254 1.00 0.00 N ATOM 1806 CA PHE A 412 -1.080 2.368 -5.947 1.00 0.00 C ATOM 1807 C PHE A 412 -1.605 3.453 -5.001 1.00 0.00 C ATOM 1808 O PHE A 412 -1.060 3.670 -3.934 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.200 1.395 -6.343 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.729 0.659 -5.131 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.523 1.325 -4.189 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -2.434 -0.699 -4.959 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -4.020 0.636 -3.076 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -2.931 -1.388 -3.845 1.00 0.00 C ATOM 1815 CZ PHE A 412 -3.724 -0.721 -2.904 1.00 0.00 C ATOM 0 H PHE A 412 0.082 1.753 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.679 2.874 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -3.011 1.943 -6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.824 0.678 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -3.752 2.372 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -1.823 -1.215 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.632 1.152 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -2.702 -2.435 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.107 -1.253 -2.046 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.652 4.140 -5.386 1.00 0.00 N ATOM 1826 CA ASN A 413 -3.208 5.217 -4.511 1.00 0.00 C ATOM 1827 C ASN A 413 -4.634 4.873 -4.060 1.00 0.00 C ATOM 1828 O ASN A 413 -4.855 4.484 -2.929 1.00 0.00 O ATOM 1829 CB ASN A 413 -3.205 6.474 -5.383 1.00 0.00 C ATOM 1830 CG ASN A 413 -1.790 7.055 -5.436 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -0.913 6.492 -6.062 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -1.530 8.166 -4.802 1.00 0.00 N ATOM 0 H ASN A 413 -3.145 4.001 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 413 -2.622 5.347 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -3.548 6.232 -6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -3.898 7.212 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -0.591 8.562 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -2.266 8.638 -4.277 1.00 0.00 H new ATOM 1839 N VAL A 414 -5.600 5.022 -4.932 1.00 0.00 N ATOM 1840 CA VAL A 414 -7.015 4.714 -4.553 1.00 0.00 C ATOM 1841 C VAL A 414 -7.282 3.205 -4.639 1.00 0.00 C ATOM 1842 O VAL A 414 -6.531 2.465 -5.246 1.00 0.00 O ATOM 1843 CB VAL A 414 -7.877 5.489 -5.562 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -7.572 5.023 -6.990 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -9.359 5.254 -5.257 1.00 0.00 C ATOM 0 H VAL A 414 -5.470 5.344 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 414 -7.239 5.004 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 414 -7.647 6.551 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -8.190 5.580 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -6.519 5.198 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -7.790 3.959 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -9.970 5.804 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -9.582 4.190 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -9.582 5.601 -4.248 1.00 0.00 H new ATOM 1855 N LYS A 415 -8.351 2.750 -4.033 1.00 0.00 N ATOM 1856 CA LYS A 415 -8.683 1.292 -4.069 1.00 0.00 C ATOM 1857 C LYS A 415 -10.120 1.086 -4.584 1.00 0.00 C ATOM 1858 O LYS A 415 -10.935 1.982 -4.493 1.00 0.00 O ATOM 1859 CB LYS A 415 -8.550 0.812 -2.618 1.00 0.00 C ATOM 1860 CG LYS A 415 -9.501 1.601 -1.713 1.00 0.00 C ATOM 1861 CD LYS A 415 -9.447 1.028 -0.295 1.00 0.00 C ATOM 1862 CE LYS A 415 -8.340 1.729 0.498 1.00 0.00 C ATOM 1863 NZ LYS A 415 -8.467 1.201 1.885 1.00 0.00 N ATOM 0 H LYS A 415 -9.011 3.328 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 415 -8.026 0.736 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -8.777 -0.252 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -7.522 0.939 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -9.220 2.654 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -10.518 1.546 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -10.408 1.166 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -9.259 -0.045 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -7.357 1.511 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -8.463 2.812 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -7.741 1.635 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -9.410 1.429 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -8.339 0.169 1.877 1.00 0.00 H new ATOM 1877 N PRO A 416 -10.389 -0.089 -5.119 1.00 0.00 N ATOM 1878 CA PRO A 416 -11.744 -0.373 -5.651 1.00 0.00 C ATOM 1879 C PRO A 416 -12.745 -0.604 -4.497 1.00 0.00 C ATOM 1880 O PRO A 416 -13.278 0.345 -3.954 1.00 0.00 O ATOM 1881 CB PRO A 416 -11.537 -1.624 -6.508 1.00 0.00 C ATOM 1882 CG PRO A 416 -10.328 -2.297 -5.939 1.00 0.00 C ATOM 1883 CD PRO A 416 -9.482 -1.237 -5.281 1.00 0.00 C ATOM 0 HA PRO A 416 -12.169 0.448 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -12.408 -2.278 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -11.385 -1.363 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -10.619 -3.058 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -9.766 -2.802 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -9.097 -1.577 -4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -8.620 -0.978 -5.896 1.00 0.00 H new ATOM 1891 N THR A 417 -13.009 -1.841 -4.111 1.00 0.00 N ATOM 1892 CA THR A 417 -13.979 -2.102 -2.995 1.00 0.00 C ATOM 1893 C THR A 417 -14.068 -3.606 -2.708 1.00 0.00 C ATOM 1894 O THR A 417 -15.121 -4.114 -2.374 1.00 0.00 O ATOM 1895 CB THR A 417 -15.342 -1.583 -3.484 1.00 0.00 C ATOM 1896 OG1 THR A 417 -16.334 -1.889 -2.514 1.00 0.00 O ATOM 1897 CG2 THR A 417 -15.712 -2.249 -4.814 1.00 0.00 C ATOM 0 H THR A 417 -12.593 -2.676 -4.523 1.00 0.00 H new ATOM 0 HA THR A 417 -13.665 -1.608 -2.075 1.00 0.00 H new ATOM 0 HB THR A 417 -15.284 -0.504 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 417 -16.353 -2.857 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 417 -16.678 -1.875 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.952 -2.018 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 417 -15.769 -3.329 -4.677 1.00 0.00 H new ATOM 1905 N CYS A 418 -12.977 -4.320 -2.839 1.00 0.00 N ATOM 1906 CA CYS A 418 -13.009 -5.793 -2.577 1.00 0.00 C ATOM 1907 C CYS A 418 -11.621 -6.290 -2.156 1.00 0.00 C ATOM 1908 O CYS A 418 -10.730 -5.510 -1.877 1.00 0.00 O ATOM 1909 CB CYS A 418 -13.438 -6.431 -3.908 1.00 0.00 C ATOM 1910 SG CYS A 418 -15.078 -7.190 -3.734 1.00 0.00 S ATOM 0 H CYS A 418 -12.068 -3.948 -3.115 1.00 0.00 H new ATOM 0 HA CYS A 418 -13.692 -6.052 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -13.460 -5.675 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -12.710 -7.184 -4.211 1.00 0.00 H new ATOM 1915 N LEU A 419 -11.442 -7.587 -2.096 1.00 0.00 N ATOM 1916 CA LEU A 419 -10.120 -8.152 -1.676 1.00 0.00 C ATOM 1917 C LEU A 419 -9.113 -8.136 -2.835 1.00 0.00 C ATOM 1918 O LEU A 419 -8.996 -9.087 -3.585 1.00 0.00 O ATOM 1919 CB LEU A 419 -10.415 -9.591 -1.230 1.00 0.00 C ATOM 1920 CG LEU A 419 -11.065 -10.390 -2.378 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -10.159 -11.562 -2.774 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -12.424 -10.934 -1.925 1.00 0.00 C ATOM 0 H LEU A 419 -12.155 -8.281 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 419 -9.671 -7.562 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -9.491 -10.078 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.078 -9.581 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 419 -11.202 -9.731 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -10.623 -12.123 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -9.193 -11.180 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -10.016 -12.218 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -12.880 -11.498 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -12.286 -11.588 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -13.075 -10.104 -1.650 1.00 0.00 H new ATOM 1934 N ILE A 420 -8.373 -7.064 -2.969 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.352 -6.976 -4.058 1.00 0.00 C ATOM 1936 C ILE A 420 -6.318 -5.889 -3.715 1.00 0.00 C ATOM 1937 O ILE A 420 -5.733 -5.275 -4.587 1.00 0.00 O ATOM 1938 CB ILE A 420 -8.153 -6.640 -5.335 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -7.261 -6.818 -6.577 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -8.683 -5.200 -5.278 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -6.794 -8.272 -6.679 1.00 0.00 C ATOM 0 H ILE A 420 -8.432 -6.242 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 420 -6.787 -7.899 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 420 -9.001 -7.321 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.813 -6.540 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.399 -6.154 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -9.244 -4.983 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -9.336 -5.086 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -7.846 -4.507 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -6.163 -8.391 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.225 -8.535 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -7.661 -8.928 -6.762 1.00 0.00 H new ATOM 1953 N ASN A 421 -6.097 -5.655 -2.446 1.00 0.00 N ATOM 1954 CA ASN A 421 -5.109 -4.613 -2.025 1.00 0.00 C ATOM 1955 C ASN A 421 -4.169 -5.181 -0.957 1.00 0.00 C ATOM 1956 O ASN A 421 -4.361 -6.281 -0.474 1.00 0.00 O ATOM 1957 CB ASN A 421 -5.951 -3.465 -1.453 1.00 0.00 C ATOM 1958 CG ASN A 421 -6.808 -3.972 -0.287 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -7.733 -4.734 -0.486 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -6.536 -3.578 0.927 1.00 0.00 N ATOM 0 H ASN A 421 -6.560 -6.143 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 421 -4.484 -4.278 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -5.300 -2.660 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -6.591 -3.050 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -7.100 -3.910 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -5.759 -2.938 1.094 1.00 0.00 H new ATOM 1967 N ASN A 422 -3.153 -4.441 -0.591 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.193 -4.938 0.443 1.00 0.00 C ATOM 1969 C ASN A 422 -2.043 -3.907 1.570 1.00 0.00 C ATOM 1970 O ASN A 422 -2.893 -3.058 1.756 1.00 0.00 O ATOM 1971 CB ASN A 422 -0.863 -5.128 -0.296 1.00 0.00 C ATOM 1972 CG ASN A 422 -1.041 -6.053 -1.512 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -0.338 -5.917 -2.494 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -1.952 -6.992 -1.495 1.00 0.00 N ATOM 0 H ASN A 422 -2.946 -3.514 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 422 -2.533 -5.865 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -0.482 -4.160 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -0.122 -5.550 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -2.069 -7.604 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.546 -7.112 -0.674 1.00 0.00 H new ATOM 1981 N SER A 423 -0.969 -3.979 2.322 1.00 0.00 N ATOM 1982 CA SER A 423 -0.767 -3.005 3.438 1.00 0.00 C ATOM 1983 C SER A 423 -0.148 -1.710 2.906 1.00 0.00 C ATOM 1984 O SER A 423 1.042 -1.483 3.028 1.00 0.00 O ATOM 1985 CB SER A 423 0.194 -3.702 4.401 1.00 0.00 C ATOM 1986 OG SER A 423 -0.236 -5.042 4.604 1.00 0.00 O ATOM 0 H SER A 423 -0.226 -4.669 2.210 1.00 0.00 H new ATOM 0 HA SER A 423 -1.704 -2.732 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.206 -3.690 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.225 -3.170 5.352 1.00 0.00 H new ATOM 0 HG SER A 423 0.289 -5.644 4.036 1.00 0.00 H new ATOM 1992 N SER A 424 -0.951 -0.859 2.314 1.00 0.00 N ATOM 1993 CA SER A 424 -0.423 0.430 1.761 1.00 0.00 C ATOM 1994 C SER A 424 0.305 1.233 2.845 1.00 0.00 C ATOM 1995 O SER A 424 0.098 1.030 4.026 1.00 0.00 O ATOM 1996 CB SER A 424 -1.654 1.193 1.273 1.00 0.00 C ATOM 1997 OG SER A 424 -2.550 1.386 2.359 1.00 0.00 O ATOM 0 H SER A 424 -1.953 -1.002 2.189 1.00 0.00 H new ATOM 0 HA SER A 424 0.298 0.258 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.357 2.156 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 424 -2.147 0.638 0.475 1.00 0.00 H new ATOM 0 HG SER A 424 -3.339 1.877 2.049 1.00 0.00 H new ATOM 2003 N TYR A 425 1.152 2.144 2.441 1.00 0.00 N ATOM 2004 CA TYR A 425 1.904 2.973 3.430 1.00 0.00 C ATOM 2005 C TYR A 425 2.398 4.258 2.761 1.00 0.00 C ATOM 2006 O TYR A 425 3.535 4.657 2.926 1.00 0.00 O ATOM 2007 CB TYR A 425 3.085 2.103 3.861 1.00 0.00 C ATOM 2008 CG TYR A 425 3.725 2.697 5.093 1.00 0.00 C ATOM 2009 CD1 TYR A 425 3.052 2.655 6.320 1.00 0.00 C ATOM 2010 CD2 TYR A 425 4.992 3.287 5.009 1.00 0.00 C ATOM 2011 CE1 TYR A 425 3.645 3.205 7.463 1.00 0.00 C ATOM 2012 CE2 TYR A 425 5.586 3.836 6.152 1.00 0.00 C ATOM 2013 CZ TYR A 425 4.912 3.795 7.378 1.00 0.00 C ATOM 2014 OH TYR A 425 5.496 4.336 8.505 1.00 0.00 O ATOM 0 H TYR A 425 1.356 2.350 1.463 1.00 0.00 H new ATOM 0 HA TYR A 425 1.289 3.269 4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 425 2.746 1.088 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 425 3.815 2.037 3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 425 2.075 2.198 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 425 5.511 3.319 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 425 3.126 3.174 8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 425 6.563 4.291 6.088 1.00 0.00 H new ATOM 0 HH TYR A 425 6.374 4.704 8.274 1.00 0.00 H new ATOM 2024 N ILE A 426 1.548 4.906 2.003 1.00 0.00 N ATOM 2025 CA ILE A 426 1.958 6.169 1.311 1.00 0.00 C ATOM 2026 C ILE A 426 2.393 7.217 2.341 1.00 0.00 C ATOM 2027 O ILE A 426 1.575 7.805 3.024 1.00 0.00 O ATOM 2028 CB ILE A 426 0.711 6.640 0.551 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.282 5.563 -0.454 1.00 0.00 C ATOM 2030 CG2 ILE A 426 1.021 7.937 -0.202 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -1.243 5.530 -0.549 1.00 0.00 C ATOM 0 H ILE A 426 0.585 4.615 1.833 1.00 0.00 H new ATOM 0 HA ILE A 426 2.802 6.014 0.639 1.00 0.00 H new ATOM 0 HB ILE A 426 -0.094 6.817 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.713 5.772 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.658 4.589 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 426 0.132 8.267 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 426 1.322 8.707 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 426 1.830 7.762 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.547 4.765 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.664 5.300 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.608 6.502 -0.882 1.00 0.00 H new ATOM 2043 N ALA A 427 3.675 7.451 2.454 1.00 0.00 N ATOM 2044 CA ALA A 427 4.176 8.459 3.435 1.00 0.00 C ATOM 2045 C ALA A 427 4.782 9.659 2.700 1.00 0.00 C ATOM 2046 O ALA A 427 4.788 10.766 3.205 1.00 0.00 O ATOM 2047 CB ALA A 427 5.248 7.726 4.241 1.00 0.00 C ATOM 0 H ALA A 427 4.399 6.985 1.907 1.00 0.00 H new ATOM 0 HA ALA A 427 3.381 8.847 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 427 5.668 8.401 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 427 4.803 6.865 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 427 6.039 7.388 3.572 1.00 0.00 H new