USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 325 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 327 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.78) USER MOD Single : A 338 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.3!) USER MOD Single : A 339 LYS NZ :NH3+ -173:sc= 0.315 (180deg=0.28) USER MOD Single : A 398 ASN : amide:sc= -0.0727 K(o=-0.073,f=-1.7) USER MOD Single : A 401 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 402 TYR OH : rot 106:sc= 0.875 USER MOD Single : A 403 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 404 THR OG1 : rot 93:sc= -1.69 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.93) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 422 ASN : amide:sc= -6.14 K(o=-6.1,f=-8.2!) USER MOD Single : A 423 SER OG : rot 90:sc= 1.22 USER MOD Single : A 424 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -16.135 -0.461 -8.744 1.00 0.00 N ATOM 348 CA CYS A 320 -14.799 -1.042 -9.067 1.00 0.00 C ATOM 349 C CYS A 320 -14.859 -1.797 -10.396 1.00 0.00 C ATOM 350 O CYS A 320 -15.708 -2.645 -10.601 1.00 0.00 O ATOM 351 CB CYS A 320 -14.496 -2.001 -7.918 1.00 0.00 C ATOM 352 SG CYS A 320 -12.823 -2.662 -8.108 1.00 0.00 S ATOM 0 HA CYS A 320 -14.030 -0.277 -9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -14.587 -1.482 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -15.221 -2.815 -7.909 1.00 0.00 H new ATOM 357 N GLU A 321 -13.962 -1.491 -11.296 1.00 0.00 N ATOM 358 CA GLU A 321 -13.953 -2.182 -12.623 1.00 0.00 C ATOM 359 C GLU A 321 -13.529 -3.646 -12.457 1.00 0.00 C ATOM 360 O GLU A 321 -13.106 -4.063 -11.396 1.00 0.00 O ATOM 361 CB GLU A 321 -12.938 -1.410 -13.477 1.00 0.00 C ATOM 362 CG GLU A 321 -11.549 -1.468 -12.829 1.00 0.00 C ATOM 363 CD GLU A 321 -10.830 -0.133 -13.031 1.00 0.00 C ATOM 364 OE1 GLU A 321 -10.977 0.441 -14.098 1.00 0.00 O ATOM 365 OE2 GLU A 321 -10.144 0.293 -12.118 1.00 0.00 O ATOM 0 H GLU A 321 -13.232 -0.790 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 321 -14.939 -2.193 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -12.898 -1.835 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -13.255 -0.373 -13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -11.642 -1.684 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -10.965 -2.277 -13.269 1.00 0.00 H new ATOM 372 N ASP A 322 -13.644 -4.428 -13.504 1.00 0.00 N ATOM 373 CA ASP A 322 -13.254 -5.876 -13.428 1.00 0.00 C ATOM 374 C ASP A 322 -11.850 -6.041 -12.828 1.00 0.00 C ATOM 375 O ASP A 322 -11.527 -7.067 -12.261 1.00 0.00 O ATOM 376 CB ASP A 322 -13.272 -6.371 -14.875 1.00 0.00 C ATOM 377 CG ASP A 322 -13.402 -7.894 -14.894 1.00 0.00 C ATOM 378 OD1 ASP A 322 -12.414 -8.557 -14.624 1.00 0.00 O ATOM 379 OD2 ASP A 322 -14.487 -8.373 -15.181 1.00 0.00 O ATOM 0 H ASP A 322 -13.993 -4.126 -14.414 1.00 0.00 H new ATOM 0 HA ASP A 322 -13.933 -6.439 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.104 -5.918 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -12.358 -6.067 -15.385 1.00 0.00 H new ATOM 384 N ILE A 323 -11.018 -5.036 -12.951 1.00 0.00 N ATOM 385 CA ILE A 323 -9.637 -5.128 -12.388 1.00 0.00 C ATOM 386 C ILE A 323 -8.971 -3.735 -12.393 1.00 0.00 C ATOM 387 O ILE A 323 -8.907 -3.099 -13.426 1.00 0.00 O ATOM 388 CB ILE A 323 -8.894 -6.096 -13.318 1.00 0.00 C ATOM 389 CG1 ILE A 323 -7.458 -6.281 -12.821 1.00 0.00 C ATOM 390 CG2 ILE A 323 -8.874 -5.544 -14.747 1.00 0.00 C ATOM 391 CD1 ILE A 323 -7.456 -7.212 -11.606 1.00 0.00 C ATOM 0 H ILE A 323 -11.237 -4.156 -13.417 1.00 0.00 H new ATOM 0 HA ILE A 323 -9.628 -5.477 -11.355 1.00 0.00 H new ATOM 0 HB ILE A 323 -9.409 -7.057 -13.316 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -6.838 -6.699 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -7.027 -5.316 -12.554 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -8.344 -6.239 -15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -9.897 -5.420 -15.104 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -8.367 -4.579 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -6.434 -7.345 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -8.062 -6.776 -10.812 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -7.870 -8.180 -11.888 1.00 0.00 H new ATOM 403 N PRO A 324 -8.492 -3.296 -11.244 1.00 0.00 N ATOM 404 CA PRO A 324 -7.839 -1.963 -11.169 1.00 0.00 C ATOM 405 C PRO A 324 -6.488 -1.991 -11.887 1.00 0.00 C ATOM 406 O PRO A 324 -6.079 -3.008 -12.415 1.00 0.00 O ATOM 407 CB PRO A 324 -7.658 -1.730 -9.671 1.00 0.00 C ATOM 408 CG PRO A 324 -7.630 -3.097 -9.070 1.00 0.00 C ATOM 409 CD PRO A 324 -8.502 -3.970 -9.933 1.00 0.00 C ATOM 0 HA PRO A 324 -8.420 -1.174 -11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.735 -1.189 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.475 -1.135 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -6.611 -3.483 -9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -7.999 -3.076 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -8.108 -4.984 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.512 -4.047 -9.531 1.00 0.00 H new ATOM 417 N HIS A 325 -5.798 -0.879 -11.916 1.00 0.00 N ATOM 418 CA HIS A 325 -4.474 -0.835 -12.604 1.00 0.00 C ATOM 419 C HIS A 325 -3.384 -0.351 -11.644 1.00 0.00 C ATOM 420 O HIS A 325 -3.106 0.830 -11.550 1.00 0.00 O ATOM 421 CB HIS A 325 -4.659 0.158 -13.753 1.00 0.00 C ATOM 422 CG HIS A 325 -5.044 -0.586 -15.002 1.00 0.00 C ATOM 423 ND1 HIS A 325 -4.384 -0.399 -16.206 1.00 0.00 N ATOM 424 CD2 HIS A 325 -6.017 -1.524 -15.249 1.00 0.00 C ATOM 425 CE1 HIS A 325 -4.962 -1.206 -17.115 1.00 0.00 C ATOM 426 NE2 HIS A 325 -5.964 -1.913 -16.584 1.00 0.00 N ATOM 0 H HIS A 325 -6.095 0.000 -11.493 1.00 0.00 H new ATOM 0 HA HIS A 325 -4.163 -1.818 -12.958 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -5.430 0.886 -13.498 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -3.737 0.715 -13.918 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -6.717 -1.902 -14.518 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -4.654 -1.274 -18.148 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -6.561 -2.592 -17.056 1.00 0.00 H new ATOM 434 N VAL A 326 -2.759 -1.260 -10.943 1.00 0.00 N ATOM 435 CA VAL A 326 -1.673 -0.874 -9.994 1.00 0.00 C ATOM 436 C VAL A 326 -0.337 -1.435 -10.488 1.00 0.00 C ATOM 437 O VAL A 326 -0.301 -2.331 -11.312 1.00 0.00 O ATOM 438 CB VAL A 326 -2.064 -1.486 -8.642 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.389 -0.883 -8.175 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.221 -3.002 -8.772 1.00 0.00 C ATOM 0 H VAL A 326 -2.955 -2.260 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.557 0.207 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.280 -1.269 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.668 -1.317 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.280 0.196 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.165 -1.098 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.498 -3.423 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -2.999 -3.226 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.278 -3.439 -9.101 1.00 0.00 H new ATOM 450 N ASN A 327 0.760 -0.909 -10.004 1.00 0.00 N ATOM 451 CA ASN A 327 2.096 -1.404 -10.458 1.00 0.00 C ATOM 452 C ASN A 327 2.533 -2.589 -9.597 1.00 0.00 C ATOM 453 O ASN A 327 3.014 -2.424 -8.491 1.00 0.00 O ATOM 454 CB ASN A 327 3.052 -0.224 -10.259 1.00 0.00 C ATOM 455 CG ASN A 327 2.581 0.975 -11.087 1.00 0.00 C ATOM 456 OD1 ASN A 327 1.977 0.810 -12.128 1.00 0.00 O ATOM 457 ND2 ASN A 327 2.835 2.183 -10.661 1.00 0.00 N ATOM 0 H ASN A 327 0.788 -0.158 -9.314 1.00 0.00 H new ATOM 0 HA ASN A 327 2.079 -1.743 -11.494 1.00 0.00 H new ATOM 0 HB2 ASN A 327 3.095 0.046 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 327 4.061 -0.508 -10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 327 2.526 2.990 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 327 3.342 2.319 -9.787 1.00 0.00 H new ATOM 464 N GLU A 328 2.361 -3.786 -10.100 1.00 0.00 N ATOM 465 CA GLU A 328 2.756 -4.997 -9.321 1.00 0.00 C ATOM 466 C GLU A 328 4.277 -5.183 -9.345 1.00 0.00 C ATOM 467 O GLU A 328 4.965 -4.657 -10.199 1.00 0.00 O ATOM 468 CB GLU A 328 2.054 -6.174 -10.011 1.00 0.00 C ATOM 469 CG GLU A 328 2.482 -6.262 -11.481 1.00 0.00 C ATOM 470 CD GLU A 328 2.418 -7.718 -11.945 1.00 0.00 C ATOM 471 OE1 GLU A 328 3.196 -8.514 -11.443 1.00 0.00 O ATOM 472 OE2 GLU A 328 1.593 -8.013 -12.793 1.00 0.00 O ATOM 0 H GLU A 328 1.963 -3.976 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 328 2.469 -4.915 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.299 -7.104 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 328 0.973 -6.050 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.830 -5.644 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 328 3.494 -5.876 -11.600 1.00 0.00 H new ATOM 479 N PHE A 329 4.797 -5.931 -8.409 1.00 0.00 N ATOM 480 CA PHE A 329 6.270 -6.172 -8.352 1.00 0.00 C ATOM 481 C PHE A 329 6.537 -7.599 -7.836 1.00 0.00 C ATOM 482 O PHE A 329 6.417 -7.849 -6.650 1.00 0.00 O ATOM 483 CB PHE A 329 6.810 -5.132 -7.355 1.00 0.00 C ATOM 484 CG PHE A 329 7.779 -4.182 -8.029 1.00 0.00 C ATOM 485 CD1 PHE A 329 8.756 -4.662 -8.914 1.00 0.00 C ATOM 486 CD2 PHE A 329 7.705 -2.813 -7.748 1.00 0.00 C ATOM 487 CE1 PHE A 329 9.652 -3.771 -9.517 1.00 0.00 C ATOM 488 CE2 PHE A 329 8.601 -1.923 -8.349 1.00 0.00 C ATOM 489 CZ PHE A 329 9.574 -2.401 -9.234 1.00 0.00 C ATOM 0 H PHE A 329 4.259 -6.390 -7.674 1.00 0.00 H new ATOM 0 HA PHE A 329 6.747 -6.080 -9.328 1.00 0.00 H new ATOM 0 HB2 PHE A 329 5.981 -4.568 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.309 -5.640 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 329 8.817 -5.718 -9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 329 6.954 -2.443 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 329 10.403 -4.140 -10.200 1.00 0.00 H new ATOM 0 HE2 PHE A 329 8.542 -0.867 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 329 10.265 -1.714 -9.699 1.00 0.00 H new ATOM 499 N PRO A 330 6.883 -8.500 -8.733 1.00 0.00 N ATOM 500 CA PRO A 330 7.153 -9.900 -8.321 1.00 0.00 C ATOM 501 C PRO A 330 8.499 -10.000 -7.597 1.00 0.00 C ATOM 502 O PRO A 330 8.589 -10.541 -6.510 1.00 0.00 O ATOM 503 CB PRO A 330 7.188 -10.665 -9.641 1.00 0.00 C ATOM 504 CG PRO A 330 7.553 -9.648 -10.675 1.00 0.00 C ATOM 505 CD PRO A 330 7.052 -8.314 -10.186 1.00 0.00 C ATOM 0 HA PRO A 330 6.408 -10.290 -7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 330 7.919 -11.473 -9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 330 6.221 -11.118 -9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 330 8.632 -9.622 -10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 330 7.104 -9.899 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 330 7.763 -7.517 -10.405 1.00 0.00 H new ATOM 0 HD3 PRO A 330 6.111 -8.042 -10.665 1.00 0.00 H new ATOM 513 N ALA A 331 9.545 -9.486 -8.193 1.00 0.00 N ATOM 514 CA ALA A 331 10.892 -9.551 -7.544 1.00 0.00 C ATOM 515 C ALA A 331 10.966 -8.565 -6.375 1.00 0.00 C ATOM 516 O ALA A 331 10.304 -7.545 -6.370 1.00 0.00 O ATOM 517 CB ALA A 331 11.885 -9.158 -8.639 1.00 0.00 C ATOM 0 H ALA A 331 9.525 -9.023 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 331 11.104 -10.541 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.898 -9.183 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 331 11.807 -9.859 -9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 331 11.659 -8.152 -8.991 1.00 0.00 H new ATOM 523 N ILE A 332 11.771 -8.865 -5.386 1.00 0.00 N ATOM 524 CA ILE A 332 11.898 -7.949 -4.212 1.00 0.00 C ATOM 525 C ILE A 332 13.330 -7.980 -3.659 1.00 0.00 C ATOM 526 O ILE A 332 13.559 -7.695 -2.499 1.00 0.00 O ATOM 527 CB ILE A 332 10.903 -8.483 -3.174 1.00 0.00 C ATOM 528 CG1 ILE A 332 11.244 -9.940 -2.818 1.00 0.00 C ATOM 529 CG2 ILE A 332 9.486 -8.416 -3.749 1.00 0.00 C ATOM 530 CD1 ILE A 332 11.964 -9.992 -1.466 1.00 0.00 C ATOM 0 H ILE A 332 12.346 -9.706 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 332 11.688 -6.913 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 332 10.964 -7.873 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 332 10.333 -10.536 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 332 11.875 -10.375 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 332 8.777 -8.795 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 332 9.240 -7.382 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 332 9.431 -9.023 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 332 12.202 -11.027 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 332 12.885 -9.411 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 332 11.318 -9.575 -0.693 1.00 0.00 H new ATOM 542 N ASP A 333 14.291 -8.320 -4.483 1.00 0.00 N ATOM 543 CA ASP A 333 15.707 -8.366 -4.011 1.00 0.00 C ATOM 544 C ASP A 333 16.395 -7.026 -4.283 1.00 0.00 C ATOM 545 O ASP A 333 16.765 -6.313 -3.369 1.00 0.00 O ATOM 546 CB ASP A 333 16.361 -9.484 -4.825 1.00 0.00 C ATOM 547 CG ASP A 333 17.809 -9.669 -4.368 1.00 0.00 C ATOM 548 OD1 ASP A 333 18.009 -10.271 -3.326 1.00 0.00 O ATOM 549 OD2 ASP A 333 18.694 -9.204 -5.067 1.00 0.00 O ATOM 0 H ASP A 333 14.154 -8.568 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 333 15.781 -8.549 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 333 15.807 -10.414 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 333 16.332 -9.240 -5.887 1.00 0.00 H new ATOM 554 N LEU A 334 16.564 -6.679 -5.535 1.00 0.00 N ATOM 555 CA LEU A 334 17.223 -5.382 -5.876 1.00 0.00 C ATOM 556 C LEU A 334 16.169 -4.279 -5.990 1.00 0.00 C ATOM 557 O LEU A 334 16.352 -3.181 -5.497 1.00 0.00 O ATOM 558 CB LEU A 334 17.902 -5.625 -7.231 1.00 0.00 C ATOM 559 CG LEU A 334 19.303 -4.991 -7.252 1.00 0.00 C ATOM 560 CD1 LEU A 334 19.198 -3.482 -7.010 1.00 0.00 C ATOM 561 CD2 LEU A 334 20.175 -5.625 -6.163 1.00 0.00 C ATOM 0 H LEU A 334 16.273 -7.239 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 334 17.938 -5.064 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 334 17.978 -6.696 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 334 17.293 -5.203 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 334 19.757 -5.167 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 334 20.195 -3.041 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 334 18.588 -3.030 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 334 18.737 -3.300 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 334 21.167 -5.173 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 334 19.718 -5.458 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 334 20.261 -6.696 -6.344 1.00 0.00 H new ATOM 573 N PHE A 335 15.066 -4.567 -6.631 1.00 0.00 N ATOM 574 CA PHE A 335 13.986 -3.547 -6.779 1.00 0.00 C ATOM 575 C PHE A 335 12.900 -3.782 -5.725 1.00 0.00 C ATOM 576 O PHE A 335 12.569 -4.909 -5.409 1.00 0.00 O ATOM 577 CB PHE A 335 13.426 -3.761 -8.186 1.00 0.00 C ATOM 578 CG PHE A 335 14.507 -3.495 -9.206 1.00 0.00 C ATOM 579 CD1 PHE A 335 15.160 -2.257 -9.229 1.00 0.00 C ATOM 580 CD2 PHE A 335 14.858 -4.487 -10.129 1.00 0.00 C ATOM 581 CE1 PHE A 335 16.162 -2.010 -10.175 1.00 0.00 C ATOM 582 CE2 PHE A 335 15.861 -4.241 -11.075 1.00 0.00 C ATOM 583 CZ PHE A 335 16.513 -3.003 -11.098 1.00 0.00 C ATOM 0 H PHE A 335 14.866 -5.470 -7.061 1.00 0.00 H new ATOM 0 HA PHE A 335 14.352 -2.530 -6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 335 13.056 -4.781 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 335 12.579 -3.096 -8.357 1.00 0.00 H new ATOM 0 HD1 PHE A 335 14.891 -1.492 -8.516 1.00 0.00 H new ATOM 0 HD2 PHE A 335 14.355 -5.443 -10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 335 16.664 -1.054 -10.193 1.00 0.00 H new ATOM 0 HE2 PHE A 335 16.131 -5.007 -11.787 1.00 0.00 H new ATOM 0 HZ PHE A 335 17.287 -2.813 -11.827 1.00 0.00 H new ATOM 593 N GLU A 336 12.350 -2.728 -5.176 1.00 0.00 N ATOM 594 CA GLU A 336 11.289 -2.889 -4.137 1.00 0.00 C ATOM 595 C GLU A 336 10.044 -2.082 -4.511 1.00 0.00 C ATOM 596 O GLU A 336 9.935 -1.559 -5.604 1.00 0.00 O ATOM 597 CB GLU A 336 11.911 -2.345 -2.850 1.00 0.00 C ATOM 598 CG GLU A 336 12.527 -3.496 -2.053 1.00 0.00 C ATOM 599 CD GLU A 336 13.696 -2.972 -1.218 1.00 0.00 C ATOM 600 OE1 GLU A 336 13.538 -1.930 -0.603 1.00 0.00 O ATOM 601 OE2 GLU A 336 14.730 -3.620 -1.208 1.00 0.00 O ATOM 0 H GLU A 336 12.590 -1.763 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 336 10.971 -3.927 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 336 12.674 -1.604 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 336 11.152 -1.840 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 336 11.776 -3.946 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 336 12.872 -4.277 -2.730 1.00 0.00 H new ATOM 608 N CYS A 337 9.104 -1.980 -3.605 1.00 0.00 N ATOM 609 CA CYS A 337 7.854 -1.208 -3.890 1.00 0.00 C ATOM 610 C CYS A 337 8.138 0.301 -3.915 1.00 0.00 C ATOM 611 O CYS A 337 7.293 1.086 -4.301 1.00 0.00 O ATOM 612 CB CYS A 337 6.905 -1.573 -2.742 1.00 0.00 C ATOM 613 SG CYS A 337 5.972 -3.091 -3.130 1.00 0.00 S ATOM 0 H CYS A 337 9.148 -2.400 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 337 7.430 -1.450 -4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.475 -1.716 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.212 -0.751 -2.562 1.00 0.00 H new ATOM 618 N ASN A 338 9.320 0.712 -3.518 1.00 0.00 N ATOM 619 CA ASN A 338 9.654 2.168 -3.532 1.00 0.00 C ATOM 620 C ASN A 338 10.652 2.463 -4.657 1.00 0.00 C ATOM 621 O ASN A 338 11.837 2.604 -4.428 1.00 0.00 O ATOM 622 CB ASN A 338 10.273 2.460 -2.159 1.00 0.00 C ATOM 623 CG ASN A 338 11.497 1.566 -1.928 1.00 0.00 C ATOM 624 OD1 ASN A 338 11.363 0.382 -1.694 1.00 0.00 O ATOM 625 ND2 ASN A 338 12.692 2.088 -1.985 1.00 0.00 N ATOM 0 H ASN A 338 10.066 0.100 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 338 8.778 2.792 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 338 10.563 3.509 -2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 338 9.535 2.288 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 338 13.513 1.501 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 338 12.805 3.082 -2.182 1.00 0.00 H new ATOM 632 N LYS A 339 10.174 2.554 -5.873 1.00 0.00 N ATOM 633 CA LYS A 339 11.084 2.838 -7.025 1.00 0.00 C ATOM 634 C LYS A 339 10.525 3.988 -7.868 1.00 0.00 C ATOM 635 O LYS A 339 11.249 4.874 -8.281 1.00 0.00 O ATOM 636 CB LYS A 339 11.115 1.540 -7.835 1.00 0.00 C ATOM 637 CG LYS A 339 12.547 1.254 -8.296 1.00 0.00 C ATOM 638 CD LYS A 339 12.767 1.852 -9.685 1.00 0.00 C ATOM 639 CE LYS A 339 12.302 0.857 -10.752 1.00 0.00 C ATOM 640 NZ LYS A 339 13.521 0.079 -11.108 1.00 0.00 N ATOM 0 H LYS A 339 9.190 2.444 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 339 12.081 3.138 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 339 10.746 0.713 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 339 10.454 1.623 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 339 13.259 1.679 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 339 12.724 0.179 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 339 12.216 2.787 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 339 13.822 2.087 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 339 11.516 0.206 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 339 11.894 1.372 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 13.313 -0.542 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 14.288 0.733 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 13.814 -0.499 -10.294 1.00 0.00 H new ATOM 654 N LEU A 340 9.241 3.979 -8.122 1.00 0.00 N ATOM 655 CA LEU A 340 8.624 5.071 -8.934 1.00 0.00 C ATOM 656 C LEU A 340 8.515 6.339 -8.079 1.00 0.00 C ATOM 657 O LEU A 340 8.278 6.267 -6.888 1.00 0.00 O ATOM 658 CB LEU A 340 7.224 4.558 -9.320 1.00 0.00 C ATOM 659 CG LEU A 340 7.297 3.504 -10.446 1.00 0.00 C ATOM 660 CD1 LEU A 340 8.074 4.050 -11.650 1.00 0.00 C ATOM 661 CD2 LEU A 340 7.979 2.230 -9.931 1.00 0.00 C ATOM 0 H LEU A 340 8.592 3.261 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 340 9.213 5.317 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.741 4.124 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 340 6.605 5.395 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 340 6.280 3.270 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 340 8.114 3.292 -12.432 1.00 0.00 H new ATOM 0 HD12 LEU A 340 7.574 4.940 -12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 340 9.088 4.307 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.026 1.493 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.989 2.468 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 340 7.408 1.823 -9.097 1.00 0.00 H new ATOM 673 N VAL A 341 8.700 7.497 -8.668 1.00 0.00 N ATOM 674 CA VAL A 341 8.621 8.764 -7.872 1.00 0.00 C ATOM 675 C VAL A 341 7.956 9.889 -8.679 1.00 0.00 C ATOM 676 O VAL A 341 7.173 10.655 -8.151 1.00 0.00 O ATOM 677 CB VAL A 341 10.080 9.120 -7.554 1.00 0.00 C ATOM 678 CG1 VAL A 341 10.135 10.410 -6.731 1.00 0.00 C ATOM 679 CG2 VAL A 341 10.723 7.987 -6.747 1.00 0.00 C ATOM 0 H VAL A 341 8.901 7.620 -9.660 1.00 0.00 H new ATOM 0 HA VAL A 341 8.018 8.638 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 341 10.621 9.261 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 341 11.173 10.656 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 341 9.683 11.223 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 341 9.588 10.270 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 341 11.759 8.242 -6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.174 7.847 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.694 7.065 -7.328 1.00 0.00 H new ATOM 689 N PHE A 342 8.276 10.007 -9.945 1.00 0.00 N ATOM 690 CA PHE A 342 7.677 11.102 -10.782 1.00 0.00 C ATOM 691 C PHE A 342 6.146 11.116 -10.674 1.00 0.00 C ATOM 692 O PHE A 342 5.543 12.158 -10.494 1.00 0.00 O ATOM 693 CB PHE A 342 8.105 10.792 -12.218 1.00 0.00 C ATOM 694 CG PHE A 342 8.369 12.086 -12.953 1.00 0.00 C ATOM 695 CD1 PHE A 342 7.298 12.893 -13.354 1.00 0.00 C ATOM 696 CD2 PHE A 342 9.684 12.480 -13.229 1.00 0.00 C ATOM 697 CE1 PHE A 342 7.541 14.093 -14.033 1.00 0.00 C ATOM 698 CE2 PHE A 342 9.928 13.679 -13.908 1.00 0.00 C ATOM 699 CZ PHE A 342 8.856 14.487 -14.309 1.00 0.00 C ATOM 0 H PHE A 342 8.926 9.394 -10.438 1.00 0.00 H new ATOM 0 HA PHE A 342 8.017 12.083 -10.451 1.00 0.00 H new ATOM 0 HB2 PHE A 342 9.002 10.172 -12.216 1.00 0.00 H new ATOM 0 HB3 PHE A 342 7.326 10.224 -12.727 1.00 0.00 H new ATOM 0 HD1 PHE A 342 6.284 12.590 -13.140 1.00 0.00 H new ATOM 0 HD2 PHE A 342 10.510 11.858 -12.918 1.00 0.00 H new ATOM 0 HE1 PHE A 342 6.714 14.715 -14.344 1.00 0.00 H new ATOM 0 HE2 PHE A 342 10.942 13.981 -14.123 1.00 0.00 H new ATOM 0 HZ PHE A 342 9.044 15.414 -14.831 1.00 0.00 H new ATOM 709 N GLU A 343 5.518 9.973 -10.783 1.00 0.00 N ATOM 710 CA GLU A 343 4.023 9.927 -10.687 1.00 0.00 C ATOM 711 C GLU A 343 3.580 9.628 -9.249 1.00 0.00 C ATOM 712 O GLU A 343 2.476 9.167 -9.019 1.00 0.00 O ATOM 713 CB GLU A 343 3.588 8.802 -11.636 1.00 0.00 C ATOM 714 CG GLU A 343 4.231 7.475 -11.218 1.00 0.00 C ATOM 715 CD GLU A 343 3.281 6.322 -11.551 1.00 0.00 C ATOM 716 OE1 GLU A 343 2.094 6.471 -11.314 1.00 0.00 O ATOM 717 OE2 GLU A 343 3.758 5.310 -12.038 1.00 0.00 O ATOM 0 H GLU A 343 5.971 9.072 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 343 3.571 10.881 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 343 2.502 8.707 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 343 3.876 9.047 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 343 5.181 7.339 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 343 4.449 7.484 -10.150 1.00 0.00 H new ATOM 724 N LEU A 344 4.428 9.885 -8.283 1.00 0.00 N ATOM 725 CA LEU A 344 4.056 9.615 -6.860 1.00 0.00 C ATOM 726 C LEU A 344 3.709 10.916 -6.118 1.00 0.00 C ATOM 727 O LEU A 344 3.478 10.904 -4.924 1.00 0.00 O ATOM 728 CB LEU A 344 5.299 8.952 -6.243 1.00 0.00 C ATOM 729 CG LEU A 344 5.030 7.463 -5.968 1.00 0.00 C ATOM 730 CD1 LEU A 344 3.869 7.314 -4.976 1.00 0.00 C ATOM 731 CD2 LEU A 344 4.685 6.744 -7.281 1.00 0.00 C ATOM 0 H LEU A 344 5.362 10.270 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 344 3.172 8.981 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 344 6.148 9.056 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 344 5.566 9.458 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 344 5.926 7.015 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 344 3.685 6.256 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.124 7.811 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.972 7.769 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 344 4.496 5.690 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 344 3.795 7.195 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.519 6.836 -7.976 1.00 0.00 H new ATOM 1585 N ASN A 398 9.384 4.513 2.127 1.00 0.00 N ATOM 1586 CA ASN A 398 8.351 3.436 2.044 1.00 0.00 C ATOM 1587 C ASN A 398 6.985 4.035 1.692 1.00 0.00 C ATOM 1588 O ASN A 398 6.571 5.029 2.256 1.00 0.00 O ATOM 1589 CB ASN A 398 8.318 2.810 3.438 1.00 0.00 C ATOM 1590 CG ASN A 398 7.942 1.332 3.324 1.00 0.00 C ATOM 1591 OD1 ASN A 398 6.918 0.914 3.825 1.00 0.00 O ATOM 1592 ND2 ASN A 398 8.733 0.518 2.681 1.00 0.00 N ATOM 0 HA ASN A 398 8.583 2.702 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 398 9.291 2.913 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 398 7.596 3.333 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 398 8.491 -0.470 2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 398 9.593 0.869 2.260 1.00 0.00 H new ATOM 1599 N TRP A 399 6.289 3.436 0.759 1.00 0.00 N ATOM 1600 CA TRP A 399 4.945 3.963 0.357 1.00 0.00 C ATOM 1601 C TRP A 399 4.238 2.973 -0.580 1.00 0.00 C ATOM 1602 O TRP A 399 3.472 3.366 -1.437 1.00 0.00 O ATOM 1603 CB TRP A 399 5.229 5.286 -0.376 1.00 0.00 C ATOM 1604 CG TRP A 399 6.144 5.043 -1.539 1.00 0.00 C ATOM 1605 CD1 TRP A 399 7.495 5.023 -1.471 1.00 0.00 C ATOM 1606 CD2 TRP A 399 5.801 4.777 -2.931 1.00 0.00 C ATOM 1607 NE1 TRP A 399 8.003 4.762 -2.730 1.00 0.00 N ATOM 1608 CE2 TRP A 399 6.999 4.602 -3.665 1.00 0.00 C ATOM 1609 CE3 TRP A 399 4.580 4.673 -3.623 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 6.986 4.331 -5.033 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 4.564 4.400 -5.000 1.00 0.00 C ATOM 1612 CH2 TRP A 399 5.764 4.229 -5.702 1.00 0.00 C ATOM 0 H TRP A 399 6.593 2.602 0.256 1.00 0.00 H new ATOM 0 HA TRP A 399 4.292 4.107 1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 399 4.294 5.726 -0.724 1.00 0.00 H new ATOM 0 HB3 TRP A 399 5.682 6.001 0.310 1.00 0.00 H new ATOM 0 HD1 TRP A 399 8.081 5.185 -0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 399 8.998 4.696 -2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 399 3.649 4.804 -3.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 7.913 4.201 -5.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 3.621 4.321 -5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 399 5.744 4.018 -6.761 1.00 0.00 H new ATOM 1623 N GLY A 400 4.495 1.698 -0.428 1.00 0.00 N ATOM 1624 CA GLY A 400 3.845 0.693 -1.322 1.00 0.00 C ATOM 1625 C GLY A 400 2.873 -0.178 -0.527 1.00 0.00 C ATOM 1626 O GLY A 400 2.653 0.033 0.651 1.00 0.00 O ATOM 0 H GLY A 400 5.125 1.311 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.313 1.202 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 400 4.605 0.067 -1.789 1.00 0.00 H new ATOM 1630 N ASN A 401 2.292 -1.158 -1.171 1.00 0.00 N ATOM 1631 CA ASN A 401 1.327 -2.058 -0.471 1.00 0.00 C ATOM 1632 C ASN A 401 1.919 -3.465 -0.341 1.00 0.00 C ATOM 1633 O ASN A 401 2.374 -4.047 -1.310 1.00 0.00 O ATOM 1634 CB ASN A 401 0.081 -2.099 -1.366 1.00 0.00 C ATOM 1635 CG ASN A 401 -0.450 -0.681 -1.600 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -0.382 0.159 -0.726 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -0.978 -0.381 -2.757 1.00 0.00 N ATOM 0 H ASN A 401 2.445 -1.374 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 401 1.098 -1.702 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.325 -2.566 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.691 -2.712 -0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -1.334 0.560 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.034 -1.088 -3.490 1.00 0.00 H new ATOM 1644 N TYR A 402 1.907 -4.017 0.846 1.00 0.00 N ATOM 1645 CA TYR A 402 2.459 -5.391 1.045 1.00 0.00 C ATOM 1646 C TYR A 402 1.428 -6.288 1.737 1.00 0.00 C ATOM 1647 O TYR A 402 1.289 -6.273 2.946 1.00 0.00 O ATOM 1648 CB TYR A 402 3.696 -5.211 1.930 1.00 0.00 C ATOM 1649 CG TYR A 402 4.924 -5.053 1.066 1.00 0.00 C ATOM 1650 CD1 TYR A 402 5.533 -6.186 0.515 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.461 -3.783 0.821 1.00 0.00 C ATOM 1652 CE1 TYR A 402 6.676 -6.051 -0.281 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.604 -3.648 0.026 1.00 0.00 C ATOM 1654 CZ TYR A 402 7.212 -4.783 -0.526 1.00 0.00 C ATOM 1655 OH TYR A 402 8.340 -4.650 -1.309 1.00 0.00 O ATOM 0 H TYR A 402 1.538 -3.574 1.687 1.00 0.00 H new ATOM 0 HA TYR A 402 2.707 -5.869 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.574 -4.336 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 402 3.812 -6.072 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 402 5.120 -7.166 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 402 4.993 -2.908 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 402 7.144 -6.926 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.018 -2.668 -0.162 1.00 0.00 H new ATOM 0 HH TYR A 402 8.089 -4.291 -2.186 1.00 0.00 H new ATOM 1665 N ASN A 403 0.706 -7.071 0.973 1.00 0.00 N ATOM 1666 CA ASN A 403 -0.313 -7.983 1.575 1.00 0.00 C ATOM 1667 C ASN A 403 -0.501 -9.217 0.689 1.00 0.00 C ATOM 1668 O ASN A 403 -1.342 -9.235 -0.191 1.00 0.00 O ATOM 1669 CB ASN A 403 -1.597 -7.158 1.623 1.00 0.00 C ATOM 1670 CG ASN A 403 -2.419 -7.562 2.848 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -2.135 -7.140 3.951 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -3.434 -8.369 2.699 1.00 0.00 N ATOM 0 H ASN A 403 0.779 -7.117 -0.043 1.00 0.00 H new ATOM 0 HA ASN A 403 -0.020 -8.341 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -1.357 -6.096 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -2.178 -7.316 0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -3.989 -8.645 3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -3.672 -8.723 1.773 1.00 0.00 H new ATOM 1679 N THR A 404 0.275 -10.245 0.916 1.00 0.00 N ATOM 1680 CA THR A 404 0.144 -11.483 0.090 1.00 0.00 C ATOM 1681 C THR A 404 0.580 -12.710 0.895 1.00 0.00 C ATOM 1682 O THR A 404 1.196 -12.591 1.937 1.00 0.00 O ATOM 1683 CB THR A 404 1.078 -11.259 -1.101 1.00 0.00 C ATOM 1684 OG1 THR A 404 0.872 -9.953 -1.621 1.00 0.00 O ATOM 1685 CG2 THR A 404 0.782 -12.294 -2.188 1.00 0.00 C ATOM 0 H THR A 404 0.994 -10.281 1.638 1.00 0.00 H new ATOM 0 HA THR A 404 -0.884 -11.664 -0.224 1.00 0.00 H new ATOM 0 HB THR A 404 2.113 -11.364 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 404 1.504 -9.331 -1.204 1.00 0.00 H new ATOM 0 HG21 THR A 404 1.448 -12.133 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 404 0.939 -13.296 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 404 -0.253 -12.192 -2.516 1.00 0.00 H new ATOM 1693 N GLU A 405 0.282 -13.886 0.406 1.00 0.00 N ATOM 1694 CA GLU A 405 0.695 -15.129 1.126 1.00 0.00 C ATOM 1695 C GLU A 405 2.190 -15.353 0.909 1.00 0.00 C ATOM 1696 O GLU A 405 2.897 -15.816 1.784 1.00 0.00 O ATOM 1697 CB GLU A 405 -0.120 -16.256 0.488 1.00 0.00 C ATOM 1698 CG GLU A 405 -0.277 -17.405 1.486 1.00 0.00 C ATOM 1699 CD GLU A 405 1.053 -18.149 1.622 1.00 0.00 C ATOM 1700 OE1 GLU A 405 1.534 -18.650 0.619 1.00 0.00 O ATOM 1701 OE2 GLU A 405 1.566 -18.208 2.727 1.00 0.00 O ATOM 0 H GLU A 405 -0.230 -14.040 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 405 0.520 -15.076 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -1.100 -15.885 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 405 0.376 -16.611 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -0.590 -17.018 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -1.056 -18.089 1.149 1.00 0.00 H new ATOM 1708 N THR A 406 2.670 -15.009 -0.256 1.00 0.00 N ATOM 1709 CA THR A 406 4.121 -15.173 -0.562 1.00 0.00 C ATOM 1710 C THR A 406 4.760 -13.795 -0.762 1.00 0.00 C ATOM 1711 O THR A 406 4.849 -13.309 -1.869 1.00 0.00 O ATOM 1712 CB THR A 406 4.181 -16.002 -1.853 1.00 0.00 C ATOM 1713 OG1 THR A 406 5.535 -16.127 -2.266 1.00 0.00 O ATOM 1714 CG2 THR A 406 3.369 -15.328 -2.968 1.00 0.00 C ATOM 0 H THR A 406 2.113 -14.618 -1.016 1.00 0.00 H new ATOM 0 HA THR A 406 4.664 -15.667 0.244 1.00 0.00 H new ATOM 0 HB THR A 406 3.756 -16.987 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 406 5.578 -16.657 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 406 3.425 -15.931 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 406 2.329 -15.237 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 406 3.777 -14.337 -3.167 1.00 0.00 H new ATOM 1722 N GLN A 407 5.190 -13.181 0.332 1.00 0.00 N ATOM 1723 CA GLN A 407 5.841 -11.805 0.341 1.00 0.00 C ATOM 1724 C GLN A 407 5.925 -11.133 -1.043 1.00 0.00 C ATOM 1725 O GLN A 407 6.955 -11.152 -1.692 1.00 0.00 O ATOM 1726 CB GLN A 407 7.248 -12.057 0.881 1.00 0.00 C ATOM 1727 CG GLN A 407 7.935 -10.720 1.162 1.00 0.00 C ATOM 1728 CD GLN A 407 9.403 -10.964 1.518 1.00 0.00 C ATOM 1729 OE1 GLN A 407 10.051 -11.805 0.930 1.00 0.00 O ATOM 1730 NE2 GLN A 407 9.958 -10.255 2.464 1.00 0.00 N ATOM 0 H GLN A 407 5.113 -13.595 1.261 1.00 0.00 H new ATOM 0 HA GLN A 407 5.245 -11.117 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 407 7.198 -12.651 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 407 7.828 -12.631 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 407 7.865 -10.072 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 407 7.432 -10.206 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 407 9.413 -9.548 2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 407 10.936 -10.408 2.709 1.00 0.00 H new ATOM 1739 N LYS A 408 4.843 -10.547 -1.489 1.00 0.00 N ATOM 1740 CA LYS A 408 4.838 -9.873 -2.822 1.00 0.00 C ATOM 1741 C LYS A 408 4.961 -8.355 -2.652 1.00 0.00 C ATOM 1742 O LYS A 408 4.856 -7.836 -1.559 1.00 0.00 O ATOM 1743 CB LYS A 408 3.488 -10.233 -3.440 1.00 0.00 C ATOM 1744 CG LYS A 408 3.460 -9.787 -4.902 1.00 0.00 C ATOM 1745 CD LYS A 408 2.434 -10.623 -5.670 1.00 0.00 C ATOM 1746 CE LYS A 408 1.022 -10.163 -5.302 1.00 0.00 C ATOM 1747 NZ LYS A 408 0.137 -11.299 -5.681 1.00 0.00 N ATOM 0 H LYS A 408 3.958 -10.507 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 408 5.673 -10.190 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.321 -11.308 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 408 2.683 -9.751 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 408 3.204 -8.729 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 408 4.448 -9.904 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 408 2.594 -10.518 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 408 2.558 -11.679 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 408 0.944 -9.940 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 408 0.750 -9.254 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -0.850 -11.059 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 0.227 -11.484 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 0.415 -12.148 -5.149 1.00 0.00 H new ATOM 1761 N CYS A 409 5.188 -7.648 -3.728 1.00 0.00 N ATOM 1762 CA CYS A 409 5.327 -6.162 -3.647 1.00 0.00 C ATOM 1763 C CYS A 409 4.400 -5.507 -4.685 1.00 0.00 C ATOM 1764 O CYS A 409 4.462 -5.811 -5.859 1.00 0.00 O ATOM 1765 CB CYS A 409 6.819 -5.925 -3.953 1.00 0.00 C ATOM 1766 SG CYS A 409 7.175 -4.185 -4.340 1.00 0.00 S ATOM 0 H CYS A 409 5.284 -8.038 -4.666 1.00 0.00 H new ATOM 0 HA CYS A 409 5.045 -5.732 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 409 7.417 -6.234 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 409 7.119 -6.551 -4.793 1.00 0.00 H new ATOM 1771 N GLU A 410 3.542 -4.615 -4.253 1.00 0.00 N ATOM 1772 CA GLU A 410 2.607 -3.942 -5.207 1.00 0.00 C ATOM 1773 C GLU A 410 2.415 -2.473 -4.818 1.00 0.00 C ATOM 1774 O GLU A 410 2.238 -2.149 -3.658 1.00 0.00 O ATOM 1775 CB GLU A 410 1.290 -4.708 -5.074 1.00 0.00 C ATOM 1776 CG GLU A 410 0.274 -4.157 -6.075 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.513 -3.015 -5.429 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.473 -3.302 -4.733 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -0.142 -1.872 -5.641 1.00 0.00 O ATOM 0 H GLU A 410 3.449 -4.324 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 410 2.985 -3.951 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 410 1.455 -5.770 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.904 -4.614 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.785 -3.800 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.406 -4.948 -6.391 1.00 0.00 H new ATOM 1786 N ILE A 411 2.447 -1.582 -5.781 1.00 0.00 N ATOM 1787 CA ILE A 411 2.267 -0.129 -5.474 1.00 0.00 C ATOM 1788 C ILE A 411 1.480 0.566 -6.592 1.00 0.00 C ATOM 1789 O ILE A 411 1.381 0.064 -7.694 1.00 0.00 O ATOM 1790 CB ILE A 411 3.689 0.445 -5.381 1.00 0.00 C ATOM 1791 CG1 ILE A 411 4.431 0.235 -6.709 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.451 -0.260 -4.260 1.00 0.00 C ATOM 1793 CD1 ILE A 411 4.333 1.505 -7.557 1.00 0.00 C ATOM 0 H ILE A 411 2.590 -1.800 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 411 1.705 0.023 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 411 3.627 1.513 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 411 5.476 -0.008 -6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.001 -0.609 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.460 0.147 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 411 3.934 -0.103 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 411 4.504 -1.328 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 411 4.860 1.355 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 411 3.285 1.728 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 411 4.784 2.338 -7.018 1.00 0.00 H new ATOM 1805 N PHE A 412 0.928 1.721 -6.313 1.00 0.00 N ATOM 1806 CA PHE A 412 0.153 2.462 -7.355 1.00 0.00 C ATOM 1807 C PHE A 412 -0.134 3.901 -6.878 1.00 0.00 C ATOM 1808 O PHE A 412 0.627 4.807 -7.157 1.00 0.00 O ATOM 1809 CB PHE A 412 -1.138 1.650 -7.546 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.063 2.359 -8.512 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -1.608 2.704 -9.791 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -3.372 2.671 -8.127 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -2.463 3.360 -10.683 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -4.228 3.327 -9.021 1.00 0.00 C ATOM 1815 CZ PHE A 412 -3.774 3.672 -10.299 1.00 0.00 C ATOM 0 H PHE A 412 0.981 2.184 -5.406 1.00 0.00 H new ATOM 0 HA PHE A 412 0.695 2.559 -8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -0.899 0.656 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.637 1.515 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.598 2.464 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -3.722 2.406 -7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -2.112 3.626 -11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -5.238 3.567 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.433 4.178 -10.989 1.00 0.00 H new ATOM 1825 N ASN A 413 -1.220 4.120 -6.167 1.00 0.00 N ATOM 1826 CA ASN A 413 -1.545 5.499 -5.681 1.00 0.00 C ATOM 1827 C ASN A 413 -2.776 5.456 -4.771 1.00 0.00 C ATOM 1828 O ASN A 413 -3.191 4.403 -4.325 1.00 0.00 O ATOM 1829 CB ASN A 413 -1.848 6.316 -6.946 1.00 0.00 C ATOM 1830 CG ASN A 413 -0.661 7.229 -7.268 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -0.184 7.253 -8.385 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -0.162 7.984 -6.328 1.00 0.00 N ATOM 0 H ASN A 413 -1.894 3.401 -5.904 1.00 0.00 H new ATOM 0 HA ASN A 413 -0.728 5.933 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -2.043 5.647 -7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -2.748 6.912 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 413 0.629 8.595 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -0.563 7.963 -5.390 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.362 6.594 -4.498 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.573 6.628 -3.619 1.00 0.00 C ATOM 1841 C VAL A 414 -5.735 5.910 -4.311 1.00 0.00 C ATOM 1842 O VAL A 414 -5.843 5.912 -5.522 1.00 0.00 O ATOM 1843 CB VAL A 414 -4.893 8.115 -3.424 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -6.124 8.265 -2.527 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -3.700 8.813 -2.763 1.00 0.00 C ATOM 0 H VAL A 414 -3.055 7.502 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 414 -4.407 6.128 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 414 -5.093 8.569 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -6.348 9.323 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -6.976 7.771 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -5.925 7.808 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.928 9.870 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.501 8.355 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.821 8.712 -3.399 1.00 0.00 H new ATOM 1855 N LYS A 415 -6.602 5.294 -3.548 1.00 0.00 N ATOM 1856 CA LYS A 415 -7.766 4.565 -4.150 1.00 0.00 C ATOM 1857 C LYS A 415 -8.604 5.512 -5.034 1.00 0.00 C ATOM 1858 O LYS A 415 -9.266 6.396 -4.524 1.00 0.00 O ATOM 1859 CB LYS A 415 -8.593 4.062 -2.958 1.00 0.00 C ATOM 1860 CG LYS A 415 -9.021 5.240 -2.072 1.00 0.00 C ATOM 1861 CD LYS A 415 -8.938 4.831 -0.599 1.00 0.00 C ATOM 1862 CE LYS A 415 -10.001 5.586 0.202 1.00 0.00 C ATOM 1863 NZ LYS A 415 -11.159 4.654 0.279 1.00 0.00 N ATOM 0 H LYS A 415 -6.556 5.263 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 415 -7.442 3.746 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -9.474 3.529 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -8.007 3.353 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -8.378 6.100 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -10.038 5.543 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -9.089 3.756 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -7.946 5.051 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -9.636 5.845 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -10.277 6.519 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -11.930 5.102 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -11.489 4.430 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -10.868 3.778 0.758 1.00 0.00 H new ATOM 1877 N PRO A 416 -8.558 5.308 -6.337 1.00 0.00 N ATOM 1878 CA PRO A 416 -9.336 6.173 -7.255 1.00 0.00 C ATOM 1879 C PRO A 416 -10.802 5.733 -7.281 1.00 0.00 C ATOM 1880 O PRO A 416 -11.702 6.530 -7.099 1.00 0.00 O ATOM 1881 CB PRO A 416 -8.682 5.941 -8.612 1.00 0.00 C ATOM 1882 CG PRO A 416 -8.055 4.585 -8.528 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.798 4.282 -7.072 1.00 0.00 C ATOM 0 HA PRO A 416 -9.332 7.222 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -9.418 5.984 -9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -7.935 6.706 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -8.713 3.833 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -7.123 4.560 -9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -8.133 3.278 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -6.735 4.334 -6.838 1.00 0.00 H new ATOM 1891 N THR A 417 -11.040 4.466 -7.507 1.00 0.00 N ATOM 1892 CA THR A 417 -12.444 3.957 -7.548 1.00 0.00 C ATOM 1893 C THR A 417 -12.580 2.693 -6.688 1.00 0.00 C ATOM 1894 O THR A 417 -13.554 2.520 -5.980 1.00 0.00 O ATOM 1895 CB THR A 417 -12.720 3.650 -9.026 1.00 0.00 C ATOM 1896 OG1 THR A 417 -14.043 3.155 -9.163 1.00 0.00 O ATOM 1897 CG2 THR A 417 -11.728 2.606 -9.548 1.00 0.00 C ATOM 0 H THR A 417 -10.320 3.761 -7.665 1.00 0.00 H new ATOM 0 HA THR A 417 -13.155 4.681 -7.150 1.00 0.00 H new ATOM 0 HB THR A 417 -12.604 4.566 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 417 -14.223 2.959 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 417 -11.937 2.399 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 417 -10.712 2.988 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 417 -11.829 1.687 -8.970 1.00 0.00 H new ATOM 1905 N CYS A 418 -11.607 1.817 -6.738 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.669 0.570 -5.921 1.00 0.00 C ATOM 1907 C CYS A 418 -10.809 0.734 -4.666 1.00 0.00 C ATOM 1908 O CYS A 418 -10.204 1.768 -4.455 1.00 0.00 O ATOM 1909 CB CYS A 418 -11.105 -0.528 -6.824 1.00 0.00 C ATOM 1910 SG CYS A 418 -11.878 -2.112 -6.411 1.00 0.00 S ATOM 0 H CYS A 418 -10.770 1.914 -7.313 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.681 0.336 -5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -11.290 -0.283 -7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -10.024 -0.596 -6.699 1.00 0.00 H new ATOM 1915 N LEU A 419 -10.751 -0.274 -3.833 1.00 0.00 N ATOM 1916 CA LEU A 419 -9.932 -0.171 -2.588 1.00 0.00 C ATOM 1917 C LEU A 419 -9.405 -1.550 -2.172 1.00 0.00 C ATOM 1918 O LEU A 419 -10.128 -2.528 -2.177 1.00 0.00 O ATOM 1919 CB LEU A 419 -10.886 0.387 -1.525 1.00 0.00 C ATOM 1920 CG LEU A 419 -12.087 -0.551 -1.347 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -11.838 -1.482 -0.159 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -13.348 0.277 -1.085 1.00 0.00 C ATOM 0 H LEU A 419 -11.235 -1.163 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 419 -9.059 0.467 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -10.360 0.500 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.230 1.379 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 419 -12.220 -1.143 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -12.692 -2.148 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -10.941 -2.073 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -11.704 -0.889 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -14.201 -0.390 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -13.213 0.869 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -13.529 0.942 -1.930 1.00 0.00 H new ATOM 1934 N ILE A 420 -8.150 -1.625 -1.803 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.566 -2.931 -1.375 1.00 0.00 C ATOM 1936 C ILE A 420 -6.905 -2.778 0.001 1.00 0.00 C ATOM 1937 O ILE A 420 -6.159 -1.847 0.240 1.00 0.00 O ATOM 1938 CB ILE A 420 -6.536 -3.289 -2.455 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -5.883 -4.632 -2.111 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -5.454 -2.207 -2.541 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -5.198 -5.202 -3.355 1.00 0.00 C ATOM 0 H ILE A 420 -7.505 -0.836 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 420 -8.317 -3.714 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.044 -3.358 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -5.155 -4.500 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.635 -5.331 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -4.731 -2.476 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -5.914 -1.251 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -4.946 -2.123 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -4.734 -6.157 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -5.937 -5.350 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -4.434 -4.506 -3.701 1.00 0.00 H new ATOM 1953 N ASN A 421 -7.185 -3.680 0.907 1.00 0.00 N ATOM 1954 CA ASN A 421 -6.586 -3.592 2.273 1.00 0.00 C ATOM 1955 C ASN A 421 -5.214 -4.270 2.303 1.00 0.00 C ATOM 1956 O ASN A 421 -5.111 -5.471 2.469 1.00 0.00 O ATOM 1957 CB ASN A 421 -7.568 -4.330 3.183 1.00 0.00 C ATOM 1958 CG ASN A 421 -8.792 -3.448 3.435 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -9.185 -2.675 2.584 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -9.418 -3.533 4.577 1.00 0.00 N ATOM 0 H ASN A 421 -7.805 -4.476 0.759 1.00 0.00 H new ATOM 0 HA ASN A 421 -6.432 -2.560 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -7.872 -5.269 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -7.086 -4.581 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -10.236 -2.951 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -9.089 -4.182 5.292 1.00 0.00 H new ATOM 1967 N ASN A 422 -4.161 -3.507 2.148 1.00 0.00 N ATOM 1968 CA ASN A 422 -2.790 -4.098 2.171 1.00 0.00 C ATOM 1969 C ASN A 422 -1.879 -3.275 3.086 1.00 0.00 C ATOM 1970 O ASN A 422 -2.238 -2.194 3.516 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.302 -4.026 0.721 1.00 0.00 C ATOM 1972 CG ASN A 422 -3.000 -5.100 -0.122 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -3.822 -5.848 0.372 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -2.705 -5.206 -1.389 1.00 0.00 N ATOM 0 H ASN A 422 -4.193 -2.497 2.006 1.00 0.00 H new ATOM 0 HA ASN A 422 -2.785 -5.120 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -2.507 -3.038 0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.222 -4.169 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -3.163 -5.915 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.016 -4.580 -1.806 1.00 0.00 H new ATOM 1981 N SER A 423 -0.703 -3.774 3.386 1.00 0.00 N ATOM 1982 CA SER A 423 0.229 -3.010 4.272 1.00 0.00 C ATOM 1983 C SER A 423 0.617 -1.691 3.601 1.00 0.00 C ATOM 1984 O SER A 423 1.606 -1.610 2.897 1.00 0.00 O ATOM 1985 CB SER A 423 1.454 -3.907 4.443 1.00 0.00 C ATOM 1986 OG SER A 423 1.077 -5.092 5.133 1.00 0.00 O ATOM 0 H SER A 423 -0.351 -4.673 3.057 1.00 0.00 H new ATOM 0 HA SER A 423 -0.223 -2.764 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.874 -4.158 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 423 2.230 -3.380 4.999 1.00 0.00 H new ATOM 0 HG SER A 423 0.807 -5.776 4.485 1.00 0.00 H new ATOM 1992 N SER A 424 -0.164 -0.661 3.808 1.00 0.00 N ATOM 1993 CA SER A 424 0.143 0.658 3.179 1.00 0.00 C ATOM 1994 C SER A 424 1.077 1.477 4.073 1.00 0.00 C ATOM 1995 O SER A 424 1.014 1.405 5.286 1.00 0.00 O ATOM 1996 CB SER A 424 -1.211 1.355 3.042 1.00 0.00 C ATOM 1997 OG SER A 424 -1.865 1.362 4.303 1.00 0.00 O ATOM 0 H SER A 424 -1.003 -0.678 4.387 1.00 0.00 H new ATOM 0 HA SER A 424 0.647 0.545 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.073 2.376 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 424 -1.825 0.840 2.304 1.00 0.00 H new ATOM 0 HG SER A 424 -2.733 1.810 4.219 1.00 0.00 H new ATOM 2003 N TYR A 425 1.940 2.256 3.476 1.00 0.00 N ATOM 2004 CA TYR A 425 2.887 3.093 4.271 1.00 0.00 C ATOM 2005 C TYR A 425 3.277 4.336 3.469 1.00 0.00 C ATOM 2006 O TYR A 425 4.418 4.756 3.472 1.00 0.00 O ATOM 2007 CB TYR A 425 4.106 2.198 4.503 1.00 0.00 C ATOM 2008 CG TYR A 425 4.671 2.461 5.880 1.00 0.00 C ATOM 2009 CD1 TYR A 425 5.435 3.610 6.115 1.00 0.00 C ATOM 2010 CD2 TYR A 425 4.432 1.555 6.919 1.00 0.00 C ATOM 2011 CE1 TYR A 425 5.960 3.853 7.391 1.00 0.00 C ATOM 2012 CE2 TYR A 425 4.956 1.796 8.194 1.00 0.00 C ATOM 2013 CZ TYR A 425 5.720 2.946 8.430 1.00 0.00 C ATOM 2014 OH TYR A 425 6.236 3.184 9.687 1.00 0.00 O ATOM 0 H TYR A 425 2.030 2.349 2.464 1.00 0.00 H new ATOM 0 HA TYR A 425 2.454 3.438 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.824 1.149 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.864 2.394 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 425 5.620 4.309 5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 425 3.842 0.669 6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 425 6.549 4.739 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 425 4.771 1.096 8.995 1.00 0.00 H new ATOM 0 HH TYR A 425 5.975 2.458 10.291 1.00 0.00 H new ATOM 2024 N ILE A 426 2.332 4.920 2.775 1.00 0.00 N ATOM 2025 CA ILE A 426 2.630 6.137 1.952 1.00 0.00 C ATOM 2026 C ILE A 426 3.233 7.245 2.827 1.00 0.00 C ATOM 2027 O ILE A 426 2.555 7.848 3.638 1.00 0.00 O ATOM 2028 CB ILE A 426 1.273 6.575 1.380 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.690 5.442 0.521 1.00 0.00 C ATOM 2030 CG2 ILE A 426 1.447 7.834 0.517 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -0.823 5.364 0.732 1.00 0.00 C ATOM 0 H ILE A 426 1.362 4.606 2.742 1.00 0.00 H new ATOM 0 HA ILE A 426 3.356 5.932 1.165 1.00 0.00 H new ATOM 0 HB ILE A 426 0.594 6.798 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.912 5.619 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 426 1.154 4.493 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 426 0.480 8.137 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 426 1.855 8.640 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 426 2.130 7.620 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.234 4.560 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.034 5.167 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.280 6.310 0.442 1.00 0.00 H new ATOM 2043 N ALA A 427 4.504 7.515 2.659 1.00 0.00 N ATOM 2044 CA ALA A 427 5.168 8.584 3.468 1.00 0.00 C ATOM 2045 C ALA A 427 6.571 8.863 2.921 1.00 0.00 C ATOM 2046 O ALA A 427 7.519 9.006 3.670 1.00 0.00 O ATOM 2047 CB ALA A 427 5.251 8.019 4.888 1.00 0.00 C ATOM 0 H ALA A 427 5.113 7.039 1.993 1.00 0.00 H new ATOM 0 HA ALA A 427 4.619 9.525 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 427 5.728 8.748 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 427 4.247 7.805 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 427 5.837 7.100 4.880 1.00 0.00 H new