USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 ASN : amide:sc= 0 X(o=1.1,f=0.99) USER MOD Set 1.2: A 423 SER OG : rot 102:sc= 1.07 USER MOD Single : A 325 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : A 327 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 338 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.84!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.16) USER MOD Single : A 401 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.9!) USER MOD Single : A 402 TYR OH : rot 136:sc= -0.918 USER MOD Single : A 403 ASN : amide:sc= -0.993 K(o=-0.99,f=-4.9!) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 407 GLN : amide:sc=-0.000446 X(o=-0.00045,f=-0.38) USER MOD Single : A 408 LYS NZ :NH3+ -161:sc= 1.09 (180deg=0.604) USER MOD Single : A 413 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot -59:sc= 0.329 USER MOD Single : A 421 ASN : amide:sc= -0.0972 K(o=-0.097,f=-3.9!) 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 -15.478 -2.352 -0.081 1.00 0.00 N ATOM 348 CA CYS A 320 -14.549 -2.051 -1.210 1.00 0.00 C ATOM 349 C CYS A 320 -14.232 -3.340 -1.981 1.00 0.00 C ATOM 350 O CYS A 320 -14.031 -4.382 -1.388 1.00 0.00 O ATOM 351 CB CYS A 320 -13.298 -1.510 -0.524 1.00 0.00 C ATOM 352 SG CYS A 320 -12.161 -0.832 -1.752 1.00 0.00 S ATOM 0 HA CYS A 320 -14.963 -1.347 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -13.573 -0.737 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -12.808 -2.306 0.036 1.00 0.00 H new ATOM 357 N GLU A 321 -14.190 -3.282 -3.292 1.00 0.00 N ATOM 358 CA GLU A 321 -13.886 -4.514 -4.088 1.00 0.00 C ATOM 359 C GLU A 321 -12.786 -4.242 -5.121 1.00 0.00 C ATOM 360 O GLU A 321 -12.400 -3.110 -5.347 1.00 0.00 O ATOM 361 CB GLU A 321 -15.202 -4.887 -4.781 1.00 0.00 C ATOM 362 CG GLU A 321 -15.677 -3.735 -5.675 1.00 0.00 C ATOM 363 CD GLU A 321 -16.415 -4.302 -6.888 1.00 0.00 C ATOM 364 OE1 GLU A 321 -15.846 -5.143 -7.564 1.00 0.00 O ATOM 365 OE2 GLU A 321 -17.537 -3.884 -7.122 1.00 0.00 O ATOM 0 H GLU A 321 -14.352 -2.439 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 321 -13.519 -5.321 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -15.063 -5.788 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -15.963 -5.114 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -16.335 -3.072 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -14.825 -3.138 -6.001 1.00 0.00 H new ATOM 372 N ASP A 322 -12.287 -5.276 -5.751 1.00 0.00 N ATOM 373 CA ASP A 322 -11.214 -5.094 -6.779 1.00 0.00 C ATOM 374 C ASP A 322 -11.764 -4.333 -7.989 1.00 0.00 C ATOM 375 O ASP A 322 -12.784 -4.693 -8.545 1.00 0.00 O ATOM 376 CB ASP A 322 -10.786 -6.514 -7.180 1.00 0.00 C ATOM 377 CG ASP A 322 -11.993 -7.293 -7.716 1.00 0.00 C ATOM 378 OD1 ASP A 322 -12.808 -7.713 -6.912 1.00 0.00 O ATOM 379 OD2 ASP A 322 -12.079 -7.455 -8.922 1.00 0.00 O ATOM 0 H ASP A 322 -12.577 -6.242 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 322 -10.374 -4.515 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -10.006 -6.467 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -10.361 -7.031 -6.320 1.00 0.00 H new ATOM 384 N ILE A 323 -11.091 -3.287 -8.400 1.00 0.00 N ATOM 385 CA ILE A 323 -11.570 -2.499 -9.576 1.00 0.00 C ATOM 386 C ILE A 323 -10.371 -2.026 -10.441 1.00 0.00 C ATOM 387 O ILE A 323 -10.227 -2.487 -11.557 1.00 0.00 O ATOM 388 CB ILE A 323 -12.399 -1.339 -8.972 1.00 0.00 C ATOM 389 CG1 ILE A 323 -13.793 -1.863 -8.612 1.00 0.00 C ATOM 390 CG2 ILE A 323 -12.546 -0.180 -9.970 1.00 0.00 C ATOM 391 CD1 ILE A 323 -14.568 -0.782 -7.855 1.00 0.00 C ATOM 0 H ILE A 323 -10.231 -2.945 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 323 -12.186 -3.081 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 323 -11.882 -0.968 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -14.332 -2.145 -9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -13.708 -2.760 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -13.133 0.619 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -11.559 0.200 -10.234 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -13.050 -0.535 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -15.559 -1.156 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -14.032 -0.522 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -14.665 0.103 -8.483 1.00 0.00 H new ATOM 403 N PRO A 324 -9.544 -1.130 -9.928 1.00 0.00 N ATOM 404 CA PRO A 324 -8.384 -0.650 -10.727 1.00 0.00 C ATOM 405 C PRO A 324 -7.320 -1.745 -10.845 1.00 0.00 C ATOM 406 O PRO A 324 -7.573 -2.901 -10.562 1.00 0.00 O ATOM 407 CB PRO A 324 -7.852 0.534 -9.923 1.00 0.00 C ATOM 408 CG PRO A 324 -8.290 0.271 -8.522 1.00 0.00 C ATOM 409 CD PRO A 324 -9.588 -0.485 -8.604 1.00 0.00 C ATOM 0 HA PRO A 324 -8.657 -0.379 -11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.766 0.603 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -8.255 1.477 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -7.539 -0.308 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -8.421 1.206 -7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -9.672 -1.221 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -10.445 0.183 -8.514 1.00 0.00 H new ATOM 417 N HIS A 325 -6.134 -1.385 -11.263 1.00 0.00 N ATOM 418 CA HIS A 325 -5.041 -2.397 -11.406 1.00 0.00 C ATOM 419 C HIS A 325 -3.734 -1.854 -10.817 1.00 0.00 C ATOM 420 O HIS A 325 -3.145 -0.928 -11.340 1.00 0.00 O ATOM 421 CB HIS A 325 -4.901 -2.634 -12.917 1.00 0.00 C ATOM 422 CG HIS A 325 -4.610 -1.334 -13.624 1.00 0.00 C ATOM 423 ND1 HIS A 325 -3.320 -0.928 -13.928 1.00 0.00 N ATOM 424 CD2 HIS A 325 -5.435 -0.341 -14.093 1.00 0.00 C ATOM 425 CE1 HIS A 325 -3.406 0.262 -14.551 1.00 0.00 C ATOM 426 NE2 HIS A 325 -4.672 0.665 -14.678 1.00 0.00 N ATOM 0 H HIS A 325 -5.873 -0.431 -11.513 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.266 -3.321 -10.874 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -4.099 -3.347 -13.108 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -5.818 -3.073 -13.310 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -6.512 -0.341 -14.019 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -2.554 0.823 -14.905 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -5.008 1.525 -15.111 1.00 0.00 H new ATOM 434 N VAL A 326 -3.281 -2.426 -9.728 1.00 0.00 N ATOM 435 CA VAL A 326 -2.011 -1.948 -9.098 1.00 0.00 C ATOM 436 C VAL A 326 -0.801 -2.530 -9.838 1.00 0.00 C ATOM 437 O VAL A 326 -0.910 -3.518 -10.540 1.00 0.00 O ATOM 438 CB VAL A 326 -2.062 -2.445 -7.647 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.279 -1.843 -6.940 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.164 -3.977 -7.614 1.00 0.00 C ATOM 0 H VAL A 326 -3.736 -3.203 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.913 -0.863 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.149 -2.136 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.313 -2.197 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.203 -0.756 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.188 -2.147 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.199 -4.317 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.070 -4.293 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.295 -4.410 -8.109 1.00 0.00 H new ATOM 450 N ASN A 327 0.349 -1.922 -9.685 1.00 0.00 N ATOM 451 CA ASN A 327 1.571 -2.434 -10.378 1.00 0.00 C ATOM 452 C ASN A 327 2.307 -3.439 -9.488 1.00 0.00 C ATOM 453 O ASN A 327 2.653 -3.144 -8.360 1.00 0.00 O ATOM 454 CB ASN A 327 2.440 -1.198 -10.616 1.00 0.00 C ATOM 455 CG ASN A 327 1.702 -0.224 -11.536 1.00 0.00 C ATOM 456 OD1 ASN A 327 1.066 -0.632 -12.487 1.00 0.00 O ATOM 457 ND2 ASN A 327 1.761 1.056 -11.291 1.00 0.00 N ATOM 0 H ASN A 327 0.494 -1.092 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 327 1.329 -2.950 -11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.670 -0.714 -9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.390 -1.489 -11.064 1.00 0.00 H new ATOM 0 HD21 ASN A 327 1.273 1.714 -11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 327 2.295 1.398 -10.492 1.00 0.00 H new ATOM 464 N GLU A 328 2.552 -4.624 -9.991 1.00 0.00 N ATOM 465 CA GLU A 328 3.269 -5.655 -9.180 1.00 0.00 C ATOM 466 C GLU A 328 4.761 -5.317 -9.099 1.00 0.00 C ATOM 467 O GLU A 328 5.284 -4.593 -9.924 1.00 0.00 O ATOM 468 CB GLU A 328 3.056 -6.973 -9.926 1.00 0.00 C ATOM 469 CG GLU A 328 1.576 -7.358 -9.865 1.00 0.00 C ATOM 470 CD GLU A 328 1.345 -8.640 -10.667 1.00 0.00 C ATOM 471 OE1 GLU A 328 1.710 -8.661 -11.831 1.00 0.00 O ATOM 472 OE2 GLU A 328 0.807 -9.579 -10.103 1.00 0.00 O ATOM 0 H GLU A 328 2.286 -4.922 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 328 2.897 -5.706 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 328 3.374 -6.872 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.666 -7.759 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.271 -7.505 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 328 0.963 -6.551 -10.266 1.00 0.00 H new ATOM 479 N PHE A 329 5.444 -5.833 -8.108 1.00 0.00 N ATOM 480 CA PHE A 329 6.903 -5.537 -7.966 1.00 0.00 C ATOM 481 C PHE A 329 7.632 -6.736 -7.330 1.00 0.00 C ATOM 482 O PHE A 329 7.187 -7.253 -6.323 1.00 0.00 O ATOM 483 CB PHE A 329 6.968 -4.312 -7.040 1.00 0.00 C ATOM 484 CG PHE A 329 7.662 -3.167 -7.740 1.00 0.00 C ATOM 485 CD1 PHE A 329 6.989 -2.429 -8.723 1.00 0.00 C ATOM 486 CD2 PHE A 329 8.977 -2.841 -7.398 1.00 0.00 C ATOM 487 CE1 PHE A 329 7.637 -1.364 -9.361 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.623 -1.776 -8.035 1.00 0.00 C ATOM 489 CZ PHE A 329 8.954 -1.038 -9.018 1.00 0.00 C ATOM 0 H PHE A 329 5.055 -6.446 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 329 7.383 -5.350 -8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 329 5.961 -4.013 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.503 -4.566 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 329 5.973 -2.681 -8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.495 -3.412 -6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 329 7.120 -0.794 -10.118 1.00 0.00 H new ATOM 0 HE2 PHE A 329 10.638 -1.523 -7.768 1.00 0.00 H new ATOM 0 HZ PHE A 329 9.454 -0.218 -9.512 1.00 0.00 H new ATOM 499 N PRO A 330 8.739 -7.144 -7.926 1.00 0.00 N ATOM 500 CA PRO A 330 9.506 -8.285 -7.372 1.00 0.00 C ATOM 501 C PRO A 330 10.286 -7.837 -6.132 1.00 0.00 C ATOM 502 O PRO A 330 11.502 -7.804 -6.129 1.00 0.00 O ATOM 503 CB PRO A 330 10.455 -8.671 -8.502 1.00 0.00 C ATOM 504 CG PRO A 330 10.620 -7.430 -9.320 1.00 0.00 C ATOM 505 CD PRO A 330 9.370 -6.604 -9.144 1.00 0.00 C ATOM 0 HA PRO A 330 8.875 -9.117 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 330 11.413 -9.015 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 330 10.044 -9.485 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 330 11.498 -6.871 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 330 10.770 -7.680 -10.370 1.00 0.00 H new ATOM 0 HD2 PRO A 330 9.606 -5.546 -9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 330 8.710 -6.694 -10.007 1.00 0.00 H new ATOM 513 N ALA A 331 9.586 -7.481 -5.082 1.00 0.00 N ATOM 514 CA ALA A 331 10.266 -7.016 -3.824 1.00 0.00 C ATOM 515 C ALA A 331 11.394 -7.976 -3.403 1.00 0.00 C ATOM 516 O ALA A 331 12.558 -7.711 -3.638 1.00 0.00 O ATOM 517 CB ALA A 331 9.158 -6.985 -2.763 1.00 0.00 C ATOM 0 H ALA A 331 8.567 -7.491 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 331 10.737 -6.043 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 331 9.574 -6.654 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 331 8.374 -6.295 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 331 8.737 -7.984 -2.647 1.00 0.00 H new ATOM 523 N ILE A 332 11.058 -9.081 -2.779 1.00 0.00 N ATOM 524 CA ILE A 332 12.112 -10.047 -2.340 1.00 0.00 C ATOM 525 C ILE A 332 12.552 -10.918 -3.516 1.00 0.00 C ATOM 526 O ILE A 332 12.361 -12.120 -3.522 1.00 0.00 O ATOM 527 CB ILE A 332 11.458 -10.884 -1.239 1.00 0.00 C ATOM 528 CG1 ILE A 332 12.470 -11.905 -0.697 1.00 0.00 C ATOM 529 CG2 ILE A 332 10.225 -11.617 -1.789 1.00 0.00 C ATOM 530 CD1 ILE A 332 12.335 -12.005 0.824 1.00 0.00 C ATOM 0 H ILE A 332 10.101 -9.354 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 332 13.009 -9.546 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 332 11.142 -10.222 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 332 12.297 -12.880 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 332 13.483 -11.604 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 332 9.769 -12.209 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 332 9.503 -10.888 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 332 10.526 -12.275 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 332 13.054 -12.730 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 332 12.530 -11.030 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 332 11.325 -12.326 1.079 1.00 0.00 H new ATOM 542 N ASP A 333 13.141 -10.310 -4.505 1.00 0.00 N ATOM 543 CA ASP A 333 13.606 -11.077 -5.698 1.00 0.00 C ATOM 544 C ASP A 333 14.744 -10.330 -6.397 1.00 0.00 C ATOM 545 O ASP A 333 15.810 -10.873 -6.617 1.00 0.00 O ATOM 546 CB ASP A 333 12.384 -11.170 -6.611 1.00 0.00 C ATOM 547 CG ASP A 333 11.461 -12.285 -6.118 1.00 0.00 C ATOM 548 OD1 ASP A 333 11.853 -13.436 -6.211 1.00 0.00 O ATOM 549 OD2 ASP A 333 10.377 -11.969 -5.656 1.00 0.00 O ATOM 0 H ASP A 333 13.323 -9.307 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 333 13.990 -12.061 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 333 11.851 -10.219 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 333 12.697 -11.369 -7.636 1.00 0.00 H new ATOM 554 N LEU A 334 14.523 -9.088 -6.747 1.00 0.00 N ATOM 555 CA LEU A 334 15.588 -8.299 -7.435 1.00 0.00 C ATOM 556 C LEU A 334 15.558 -6.839 -6.974 1.00 0.00 C ATOM 557 O LEU A 334 16.572 -6.279 -6.603 1.00 0.00 O ATOM 558 CB LEU A 334 15.252 -8.397 -8.923 1.00 0.00 C ATOM 559 CG LEU A 334 15.973 -9.600 -9.530 1.00 0.00 C ATOM 560 CD1 LEU A 334 15.199 -10.097 -10.752 1.00 0.00 C ATOM 561 CD2 LEU A 334 17.383 -9.186 -9.954 1.00 0.00 C ATOM 0 H LEU A 334 13.650 -8.586 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 334 16.586 -8.677 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 334 14.175 -8.499 -9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 334 15.552 -7.483 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 334 16.034 -10.398 -8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 334 15.714 -10.955 -11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 334 14.193 -10.391 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 334 15.137 -9.300 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 334 17.899 -10.043 -10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 334 17.321 -8.388 -10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 334 17.935 -8.832 -9.084 1.00 0.00 H new ATOM 573 N PHE A 335 14.404 -6.219 -7.003 1.00 0.00 N ATOM 574 CA PHE A 335 14.307 -4.790 -6.575 1.00 0.00 C ATOM 575 C PHE A 335 13.273 -4.635 -5.457 1.00 0.00 C ATOM 576 O PHE A 335 12.395 -5.462 -5.292 1.00 0.00 O ATOM 577 CB PHE A 335 13.860 -4.029 -7.826 1.00 0.00 C ATOM 578 CG PHE A 335 14.888 -4.196 -8.920 1.00 0.00 C ATOM 579 CD1 PHE A 335 16.150 -3.603 -8.792 1.00 0.00 C ATOM 580 CD2 PHE A 335 14.578 -4.943 -10.064 1.00 0.00 C ATOM 581 CE1 PHE A 335 17.102 -3.758 -9.808 1.00 0.00 C ATOM 582 CE2 PHE A 335 15.530 -5.099 -11.078 1.00 0.00 C ATOM 583 CZ PHE A 335 16.792 -4.506 -10.950 1.00 0.00 C ATOM 0 H PHE A 335 13.526 -6.641 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 335 15.253 -4.415 -6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 335 12.893 -4.401 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 335 13.731 -2.972 -7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 335 16.389 -3.027 -7.911 1.00 0.00 H new ATOM 0 HD2 PHE A 335 13.604 -5.399 -10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 335 18.075 -3.300 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 335 15.291 -5.677 -11.959 1.00 0.00 H new ATOM 0 HZ PHE A 335 17.527 -4.626 -11.733 1.00 0.00 H new ATOM 593 N GLU A 336 13.369 -3.575 -4.695 1.00 0.00 N ATOM 594 CA GLU A 336 12.393 -3.347 -3.588 1.00 0.00 C ATOM 595 C GLU A 336 11.170 -2.602 -4.123 1.00 0.00 C ATOM 596 O GLU A 336 11.005 -2.451 -5.319 1.00 0.00 O ATOM 597 CB GLU A 336 13.142 -2.489 -2.568 1.00 0.00 C ATOM 598 CG GLU A 336 14.335 -3.273 -2.015 1.00 0.00 C ATOM 599 CD GLU A 336 15.493 -2.313 -1.737 1.00 0.00 C ATOM 600 OE1 GLU A 336 15.227 -1.211 -1.288 1.00 0.00 O ATOM 601 OE2 GLU A 336 16.625 -2.697 -1.979 1.00 0.00 O ATOM 0 H GLU A 336 14.085 -2.855 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 336 12.036 -4.278 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.486 -1.567 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.473 -2.204 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 336 14.050 -3.791 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 336 14.645 -4.036 -2.729 1.00 0.00 H new ATOM 608 N CYS A 337 10.313 -2.134 -3.251 1.00 0.00 N ATOM 609 CA CYS A 337 9.096 -1.396 -3.715 1.00 0.00 C ATOM 610 C CYS A 337 9.351 0.115 -3.681 1.00 0.00 C ATOM 611 O CYS A 337 8.435 0.903 -3.543 1.00 0.00 O ATOM 612 CB CYS A 337 7.978 -1.772 -2.728 1.00 0.00 C ATOM 613 SG CYS A 337 7.785 -3.576 -2.657 1.00 0.00 S ATOM 0 H CYS A 337 10.402 -2.230 -2.239 1.00 0.00 H new ATOM 0 HA CYS A 337 8.830 -1.657 -4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 337 8.213 -1.385 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 337 7.040 -1.310 -3.037 1.00 0.00 H new ATOM 618 N ASN A 338 10.591 0.522 -3.809 1.00 0.00 N ATOM 619 CA ASN A 338 10.915 1.980 -3.788 1.00 0.00 C ATOM 620 C ASN A 338 11.825 2.331 -4.968 1.00 0.00 C ATOM 621 O ASN A 338 12.795 3.050 -4.822 1.00 0.00 O ATOM 622 CB ASN A 338 11.642 2.206 -2.461 1.00 0.00 C ATOM 623 CG ASN A 338 11.822 3.708 -2.222 1.00 0.00 C ATOM 624 OD1 ASN A 338 12.785 4.296 -2.674 1.00 0.00 O ATOM 625 ND2 ASN A 338 10.932 4.357 -1.523 1.00 0.00 N ATOM 0 H ASN A 338 11.394 -0.096 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 338 10.026 2.605 -3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 338 11.073 1.763 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 338 12.613 1.711 -2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 338 11.045 5.357 -1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 338 10.124 3.864 -1.143 1.00 0.00 H new ATOM 632 N LYS A 339 11.518 1.824 -6.136 1.00 0.00 N ATOM 633 CA LYS A 339 12.361 2.122 -7.331 1.00 0.00 C ATOM 634 C LYS A 339 11.565 1.892 -8.619 1.00 0.00 C ATOM 635 O LYS A 339 11.550 0.803 -9.162 1.00 0.00 O ATOM 636 CB LYS A 339 13.532 1.142 -7.240 1.00 0.00 C ATOM 637 CG LYS A 339 14.809 1.822 -7.735 1.00 0.00 C ATOM 638 CD LYS A 339 15.785 0.763 -8.252 1.00 0.00 C ATOM 639 CE LYS A 339 17.049 1.445 -8.777 1.00 0.00 C ATOM 640 NZ LYS A 339 17.592 0.510 -9.801 1.00 0.00 N ATOM 0 H LYS A 339 10.718 1.216 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 339 12.695 3.159 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.661 0.808 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 339 13.325 0.255 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 339 14.572 2.531 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 339 15.268 2.390 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 339 16.040 0.067 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 339 15.318 0.179 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 339 16.821 2.418 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 339 17.768 1.614 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 18.462 0.909 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 17.806 -0.406 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 16.888 0.373 -10.554 1.00 0.00 H new ATOM 654 N LEU A 340 10.906 2.911 -9.110 1.00 0.00 N ATOM 655 CA LEU A 340 10.110 2.763 -10.367 1.00 0.00 C ATOM 656 C LEU A 340 10.993 3.063 -11.581 1.00 0.00 C ATOM 657 O LEU A 340 12.204 3.126 -11.474 1.00 0.00 O ATOM 658 CB LEU A 340 8.985 3.800 -10.250 1.00 0.00 C ATOM 659 CG LEU A 340 7.692 3.139 -9.745 1.00 0.00 C ATOM 660 CD1 LEU A 340 7.241 2.054 -10.728 1.00 0.00 C ATOM 661 CD2 LEU A 340 7.932 2.512 -8.366 1.00 0.00 C ATOM 0 H LEU A 340 10.885 3.842 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 340 9.719 1.754 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 340 9.285 4.595 -9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 340 8.808 4.264 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 340 6.914 3.899 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 340 6.324 1.591 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 340 7.057 2.502 -11.705 1.00 0.00 H new ATOM 0 HD13 LEU A 340 8.020 1.297 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.012 2.045 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.716 1.758 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.239 3.286 -7.663 1.00 0.00 H new ATOM 673 N VAL A 341 10.398 3.247 -12.735 1.00 0.00 N ATOM 674 CA VAL A 341 11.205 3.544 -13.957 1.00 0.00 C ATOM 675 C VAL A 341 10.641 4.775 -14.677 1.00 0.00 C ATOM 676 O VAL A 341 11.341 5.747 -14.893 1.00 0.00 O ATOM 677 CB VAL A 341 11.092 2.294 -14.836 1.00 0.00 C ATOM 678 CG1 VAL A 341 11.938 2.480 -16.098 1.00 0.00 C ATOM 679 CG2 VAL A 341 11.606 1.073 -14.066 1.00 0.00 C ATOM 0 H VAL A 341 9.390 3.204 -12.882 1.00 0.00 H new ATOM 0 HA VAL A 341 12.245 3.768 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 341 10.048 2.142 -15.109 1.00 0.00 H new ATOM 0 HG11 VAL A 341 11.858 1.591 -16.724 1.00 0.00 H new ATOM 0 HG12 VAL A 341 11.579 3.347 -16.652 1.00 0.00 H new ATOM 0 HG13 VAL A 341 12.980 2.634 -15.818 1.00 0.00 H new ATOM 0 HG21 VAL A 341 11.524 0.186 -14.694 1.00 0.00 H new ATOM 0 HG22 VAL A 341 12.649 1.229 -13.792 1.00 0.00 H new ATOM 0 HG23 VAL A 341 11.011 0.935 -13.164 1.00 0.00 H new ATOM 689 N PHE A 342 9.382 4.745 -15.048 1.00 0.00 N ATOM 690 CA PHE A 342 8.778 5.922 -15.748 1.00 0.00 C ATOM 691 C PHE A 342 7.243 5.854 -15.705 1.00 0.00 C ATOM 692 O PHE A 342 6.582 6.021 -16.713 1.00 0.00 O ATOM 693 CB PHE A 342 9.309 5.850 -17.193 1.00 0.00 C ATOM 694 CG PHE A 342 8.690 4.687 -17.946 1.00 0.00 C ATOM 695 CD1 PHE A 342 8.985 3.370 -17.578 1.00 0.00 C ATOM 696 CD2 PHE A 342 7.819 4.935 -19.015 1.00 0.00 C ATOM 697 CE1 PHE A 342 8.412 2.301 -18.277 1.00 0.00 C ATOM 698 CE2 PHE A 342 7.245 3.866 -19.714 1.00 0.00 C ATOM 699 CZ PHE A 342 7.542 2.549 -19.346 1.00 0.00 C ATOM 0 H PHE A 342 8.750 3.959 -14.897 1.00 0.00 H new ATOM 0 HA PHE A 342 9.047 6.865 -15.273 1.00 0.00 H new ATOM 0 HB2 PHE A 342 9.087 6.782 -17.712 1.00 0.00 H new ATOM 0 HB3 PHE A 342 10.394 5.743 -17.180 1.00 0.00 H new ATOM 0 HD1 PHE A 342 9.656 3.178 -16.754 1.00 0.00 H new ATOM 0 HD2 PHE A 342 7.590 5.951 -19.300 1.00 0.00 H new ATOM 0 HE1 PHE A 342 8.641 1.285 -17.992 1.00 0.00 H new ATOM 0 HE2 PHE A 342 6.573 4.058 -20.537 1.00 0.00 H new ATOM 0 HZ PHE A 342 7.101 1.724 -19.886 1.00 0.00 H new ATOM 709 N GLU A 343 6.678 5.615 -14.549 1.00 0.00 N ATOM 710 CA GLU A 343 5.187 5.539 -14.444 1.00 0.00 C ATOM 711 C GLU A 343 4.695 6.263 -13.183 1.00 0.00 C ATOM 712 O GLU A 343 3.701 6.964 -13.216 1.00 0.00 O ATOM 713 CB GLU A 343 4.858 4.043 -14.379 1.00 0.00 C ATOM 714 CG GLU A 343 5.561 3.399 -13.179 1.00 0.00 C ATOM 715 CD GLU A 343 5.410 1.879 -13.254 1.00 0.00 C ATOM 716 OE1 GLU A 343 6.053 1.280 -14.099 1.00 0.00 O ATOM 717 OE2 GLU A 343 4.652 1.339 -12.463 1.00 0.00 O ATOM 0 H GLU A 343 7.182 5.469 -13.674 1.00 0.00 H new ATOM 0 HA GLU A 343 4.696 6.022 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 343 3.780 3.903 -14.296 1.00 0.00 H new ATOM 0 HB3 GLU A 343 5.173 3.553 -15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 343 6.617 3.670 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 343 5.132 3.772 -12.249 1.00 0.00 H new ATOM 724 N LEU A 344 5.380 6.101 -12.078 1.00 0.00 N ATOM 725 CA LEU A 344 4.950 6.781 -10.818 1.00 0.00 C ATOM 726 C LEU A 344 5.842 7.994 -10.529 1.00 0.00 C ATOM 727 O LEU A 344 5.439 8.918 -9.847 1.00 0.00 O ATOM 728 CB LEU A 344 5.108 5.726 -9.723 1.00 0.00 C ATOM 729 CG LEU A 344 4.074 5.975 -8.624 1.00 0.00 C ATOM 730 CD1 LEU A 344 2.716 5.427 -9.064 1.00 0.00 C ATOM 731 CD2 LEU A 344 4.516 5.269 -7.339 1.00 0.00 C ATOM 0 H LEU A 344 6.219 5.527 -11.994 1.00 0.00 H new ATOM 0 HA LEU A 344 3.927 7.153 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 344 4.976 4.728 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 344 6.114 5.766 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 344 3.990 7.046 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 344 1.980 5.605 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 344 2.400 5.929 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.798 4.356 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 344 3.780 5.446 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.600 4.198 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.483 5.660 -7.023 1.00 0.00 H new ATOM 1585 N ASN A 398 8.606 2.530 2.881 1.00 0.00 N ATOM 1586 CA ASN A 398 7.123 2.366 2.985 1.00 0.00 C ATOM 1587 C ASN A 398 6.398 3.569 2.373 1.00 0.00 C ATOM 1588 O ASN A 398 6.384 4.647 2.936 1.00 0.00 O ATOM 1589 CB ASN A 398 6.841 2.280 4.485 1.00 0.00 C ATOM 1590 CG ASN A 398 7.548 1.057 5.072 1.00 0.00 C ATOM 1591 OD1 ASN A 398 8.762 0.996 5.097 1.00 0.00 O ATOM 1592 ND2 ASN A 398 6.836 0.072 5.548 1.00 0.00 N ATOM 0 HA ASN A 398 6.772 1.485 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 398 7.187 3.186 4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 398 5.767 2.210 4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 398 7.298 -0.748 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 398 5.817 0.122 5.527 1.00 0.00 H new ATOM 1599 N TRP A 399 5.788 3.386 1.227 1.00 0.00 N ATOM 1600 CA TRP A 399 5.051 4.510 0.575 1.00 0.00 C ATOM 1601 C TRP A 399 4.114 3.972 -0.517 1.00 0.00 C ATOM 1602 O TRP A 399 3.834 4.646 -1.492 1.00 0.00 O ATOM 1603 CB TRP A 399 6.141 5.418 -0.018 1.00 0.00 C ATOM 1604 CG TRP A 399 6.886 4.703 -1.106 1.00 0.00 C ATOM 1605 CD1 TRP A 399 7.620 3.580 -0.940 1.00 0.00 C ATOM 1606 CD2 TRP A 399 6.970 5.044 -2.520 1.00 0.00 C ATOM 1607 NE1 TRP A 399 8.150 3.209 -2.162 1.00 0.00 N ATOM 1608 CE2 TRP A 399 7.779 4.081 -3.168 1.00 0.00 C ATOM 1609 CE3 TRP A 399 6.429 6.085 -3.295 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 8.041 4.148 -4.538 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 6.691 6.156 -4.673 1.00 0.00 C ATOM 1612 CH2 TRP A 399 7.495 5.190 -5.292 1.00 0.00 C ATOM 0 H TRP A 399 5.770 2.504 0.715 1.00 0.00 H new ATOM 0 HA TRP A 399 4.421 5.055 1.278 1.00 0.00 H new ATOM 0 HB2 TRP A 399 5.689 6.327 -0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 399 6.834 5.723 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 399 7.768 3.058 -0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 399 8.743 2.391 -2.304 1.00 0.00 H new ATOM 0 HE3 TRP A 399 5.808 6.835 -2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 8.661 3.400 -5.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 6.270 6.960 -5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 399 7.693 5.251 -6.352 1.00 0.00 H new ATOM 1623 N GLY A 400 3.633 2.763 -0.360 1.00 0.00 N ATOM 1624 CA GLY A 400 2.720 2.175 -1.384 1.00 0.00 C ATOM 1625 C GLY A 400 1.861 1.086 -0.739 1.00 0.00 C ATOM 1626 O GLY A 400 1.243 1.300 0.286 1.00 0.00 O ATOM 0 H GLY A 400 3.835 2.158 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.083 2.952 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.300 1.756 -2.206 1.00 0.00 H new ATOM 1630 N ASN A 401 1.818 -0.081 -1.333 1.00 0.00 N ATOM 1631 CA ASN A 401 0.997 -1.189 -0.758 1.00 0.00 C ATOM 1632 C ASN A 401 1.824 -2.475 -0.668 1.00 0.00 C ATOM 1633 O ASN A 401 2.452 -2.891 -1.625 1.00 0.00 O ATOM 1634 CB ASN A 401 -0.168 -1.366 -1.733 1.00 0.00 C ATOM 1635 CG ASN A 401 -1.163 -0.216 -1.564 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -1.197 0.431 -0.535 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -1.982 0.068 -2.540 1.00 0.00 N ATOM 0 H ASN A 401 2.317 -0.313 -2.192 1.00 0.00 H new ATOM 0 HA ASN A 401 0.654 -0.965 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.203 -1.390 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.665 -2.319 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -2.650 0.832 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.954 -0.474 -3.403 1.00 0.00 H new ATOM 1644 N TYR A 402 1.827 -3.108 0.478 1.00 0.00 N ATOM 1645 CA TYR A 402 2.610 -4.368 0.641 1.00 0.00 C ATOM 1646 C TYR A 402 1.701 -5.490 1.148 1.00 0.00 C ATOM 1647 O TYR A 402 1.104 -5.386 2.203 1.00 0.00 O ATOM 1648 CB TYR A 402 3.686 -4.036 1.677 1.00 0.00 C ATOM 1649 CG TYR A 402 4.601 -2.963 1.132 1.00 0.00 C ATOM 1650 CD1 TYR A 402 4.172 -1.631 1.088 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.880 -3.300 0.672 1.00 0.00 C ATOM 1652 CE1 TYR A 402 5.019 -0.638 0.583 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.728 -2.307 0.169 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.297 -0.976 0.124 1.00 0.00 C ATOM 1655 OH TYR A 402 7.133 0.002 -0.376 1.00 0.00 O ATOM 0 H TYR A 402 1.319 -2.805 1.309 1.00 0.00 H new ATOM 0 HA TYR A 402 3.044 -4.711 -0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.221 -3.696 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.261 -4.930 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 402 3.186 -1.370 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 402 6.212 -4.327 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 402 4.686 0.389 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.715 -2.567 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 402 8.036 -0.126 -0.018 1.00 0.00 H new ATOM 1665 N ASN A 403 1.595 -6.559 0.403 1.00 0.00 N ATOM 1666 CA ASN A 403 0.730 -7.696 0.835 1.00 0.00 C ATOM 1667 C ASN A 403 1.597 -8.906 1.181 1.00 0.00 C ATOM 1668 O ASN A 403 2.268 -9.459 0.329 1.00 0.00 O ATOM 1669 CB ASN A 403 -0.158 -8.000 -0.373 1.00 0.00 C ATOM 1670 CG ASN A 403 -1.318 -8.900 0.057 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -1.807 -8.794 1.163 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -1.781 -9.790 -0.778 1.00 0.00 N ATOM 0 H ASN A 403 2.072 -6.694 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 403 0.141 -7.458 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -0.542 -7.072 -0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 403 0.426 -8.490 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -2.553 -10.396 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -1.371 -9.879 -1.707 1.00 0.00 H new ATOM 1679 N THR A 404 1.594 -9.320 2.424 1.00 0.00 N ATOM 1680 CA THR A 404 2.426 -10.493 2.822 1.00 0.00 C ATOM 1681 C THR A 404 1.626 -11.788 2.663 1.00 0.00 C ATOM 1682 O THR A 404 1.034 -12.284 3.602 1.00 0.00 O ATOM 1683 CB THR A 404 2.772 -10.253 4.292 1.00 0.00 C ATOM 1684 OG1 THR A 404 3.432 -9.001 4.422 1.00 0.00 O ATOM 1685 CG2 THR A 404 3.691 -11.369 4.793 1.00 0.00 C ATOM 0 H THR A 404 1.052 -8.896 3.177 1.00 0.00 H new ATOM 0 HA THR A 404 3.319 -10.594 2.205 1.00 0.00 H new ATOM 0 HB THR A 404 1.857 -10.247 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 404 3.653 -8.844 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 404 3.936 -11.196 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 404 3.185 -12.329 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 404 4.607 -11.378 4.203 1.00 0.00 H new ATOM 1693 N GLU A 405 1.619 -12.338 1.477 1.00 0.00 N ATOM 1694 CA GLU A 405 0.876 -13.610 1.235 1.00 0.00 C ATOM 1695 C GLU A 405 1.848 -14.676 0.729 1.00 0.00 C ATOM 1696 O GLU A 405 2.104 -15.665 1.390 1.00 0.00 O ATOM 1697 CB GLU A 405 -0.162 -13.267 0.161 1.00 0.00 C ATOM 1698 CG GLU A 405 -1.505 -13.905 0.521 1.00 0.00 C ATOM 1699 CD GLU A 405 -2.258 -14.269 -0.760 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.749 -15.085 -1.511 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -3.329 -13.724 -0.970 1.00 0.00 O ATOM 0 H GLU A 405 2.099 -11.958 0.661 1.00 0.00 H new ATOM 0 HA GLU A 405 0.404 -14.002 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -0.272 -12.186 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 405 0.174 -13.627 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -1.345 -14.797 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -2.098 -13.215 1.120 1.00 0.00 H new ATOM 1708 N THR A 406 2.396 -14.468 -0.440 1.00 0.00 N ATOM 1709 CA THR A 406 3.366 -15.447 -1.008 1.00 0.00 C ATOM 1710 C THR A 406 4.710 -14.757 -1.257 1.00 0.00 C ATOM 1711 O THR A 406 5.676 -14.985 -0.554 1.00 0.00 O ATOM 1712 CB THR A 406 2.744 -15.905 -2.329 1.00 0.00 C ATOM 1713 OG1 THR A 406 2.194 -14.783 -3.006 1.00 0.00 O ATOM 1714 CG2 THR A 406 1.639 -16.925 -2.049 1.00 0.00 C ATOM 0 H THR A 406 2.211 -13.656 -1.028 1.00 0.00 H new ATOM 0 HA THR A 406 3.552 -16.286 -0.338 1.00 0.00 H new ATOM 0 HB THR A 406 3.511 -16.366 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 406 1.797 -15.075 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 406 1.197 -17.250 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 406 2.061 -17.786 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 406 0.870 -16.467 -1.426 1.00 0.00 H new ATOM 1722 N GLN A 407 4.774 -13.911 -2.258 1.00 0.00 N ATOM 1723 CA GLN A 407 6.049 -13.192 -2.569 1.00 0.00 C ATOM 1724 C GLN A 407 5.809 -12.143 -3.664 1.00 0.00 C ATOM 1725 O GLN A 407 6.295 -12.272 -4.773 1.00 0.00 O ATOM 1726 CB GLN A 407 7.008 -14.279 -3.069 1.00 0.00 C ATOM 1727 CG GLN A 407 8.451 -13.844 -2.818 1.00 0.00 C ATOM 1728 CD GLN A 407 9.407 -14.844 -3.471 1.00 0.00 C ATOM 1729 OE1 GLN A 407 9.243 -15.197 -4.623 1.00 0.00 O ATOM 1730 NE2 GLN A 407 10.406 -15.321 -2.779 1.00 0.00 N ATOM 0 H GLN A 407 3.993 -13.687 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 407 6.448 -12.665 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 407 6.807 -15.220 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 407 6.851 -14.456 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 407 8.617 -12.847 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 407 8.644 -13.787 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 407 10.544 -15.025 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.048 -15.989 -3.205 1.00 0.00 H new ATOM 1739 N LYS A 408 5.056 -11.111 -3.365 1.00 0.00 N ATOM 1740 CA LYS A 408 4.781 -10.061 -4.395 1.00 0.00 C ATOM 1741 C LYS A 408 4.555 -8.690 -3.742 1.00 0.00 C ATOM 1742 O LYS A 408 4.157 -8.590 -2.598 1.00 0.00 O ATOM 1743 CB LYS A 408 3.508 -10.535 -5.102 1.00 0.00 C ATOM 1744 CG LYS A 408 3.124 -9.539 -6.202 1.00 0.00 C ATOM 1745 CD LYS A 408 1.877 -10.040 -6.935 1.00 0.00 C ATOM 1746 CE LYS A 408 2.276 -11.117 -7.946 1.00 0.00 C ATOM 1747 NZ LYS A 408 0.989 -11.707 -8.405 1.00 0.00 N ATOM 0 H LYS A 408 4.622 -10.951 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 408 5.618 -9.936 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.667 -11.524 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 408 2.694 -10.628 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 408 2.933 -8.558 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.949 -9.422 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.160 -10.445 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 408 1.385 -9.212 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.834 -10.690 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 408 2.915 -11.872 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 1.167 -12.637 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 0.349 -11.817 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 0.551 -11.079 -9.109 1.00 0.00 H new ATOM 1761 N CYS A 409 4.794 -7.637 -4.483 1.00 0.00 N ATOM 1762 CA CYS A 409 4.585 -6.258 -3.947 1.00 0.00 C ATOM 1763 C CYS A 409 3.657 -5.487 -4.890 1.00 0.00 C ATOM 1764 O CYS A 409 3.588 -5.779 -6.070 1.00 0.00 O ATOM 1765 CB CYS A 409 5.983 -5.633 -3.928 1.00 0.00 C ATOM 1766 SG CYS A 409 5.905 -3.933 -3.302 1.00 0.00 S ATOM 0 H CYS A 409 5.128 -7.675 -5.446 1.00 0.00 H new ATOM 0 HA CYS A 409 4.126 -6.246 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.646 -6.228 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 409 6.405 -5.639 -4.933 1.00 0.00 H new ATOM 1771 N GLU A 410 2.941 -4.511 -4.387 1.00 0.00 N ATOM 1772 CA GLU A 410 2.017 -3.734 -5.271 1.00 0.00 C ATOM 1773 C GLU A 410 2.110 -2.234 -4.970 1.00 0.00 C ATOM 1774 O GLU A 410 2.363 -1.828 -3.851 1.00 0.00 O ATOM 1775 CB GLU A 410 0.613 -4.268 -4.965 1.00 0.00 C ATOM 1776 CG GLU A 410 0.302 -4.114 -3.474 1.00 0.00 C ATOM 1777 CD GLU A 410 -1.210 -3.979 -3.282 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -1.754 -2.972 -3.702 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.798 -4.887 -2.718 1.00 0.00 O ATOM 0 H GLU A 410 2.956 -4.220 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 410 2.271 -3.853 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -0.126 -3.727 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.545 -5.317 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.674 -4.977 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 410 0.810 -3.237 -3.074 1.00 0.00 H new ATOM 1786 N ILE A 411 1.915 -1.411 -5.969 1.00 0.00 N ATOM 1787 CA ILE A 411 1.995 0.066 -5.759 1.00 0.00 C ATOM 1788 C ILE A 411 0.781 0.754 -6.390 1.00 0.00 C ATOM 1789 O ILE A 411 0.503 0.590 -7.563 1.00 0.00 O ATOM 1790 CB ILE A 411 3.286 0.502 -6.459 1.00 0.00 C ATOM 1791 CG1 ILE A 411 4.479 -0.235 -5.841 1.00 0.00 C ATOM 1792 CG2 ILE A 411 3.483 2.011 -6.287 1.00 0.00 C ATOM 1793 CD1 ILE A 411 4.777 -1.497 -6.651 1.00 0.00 C ATOM 0 H ILE A 411 1.703 -1.700 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 411 1.999 0.333 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 411 3.216 0.262 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 411 5.354 0.415 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.261 -0.498 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 411 4.402 2.317 -6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 411 2.638 2.541 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 411 3.549 2.251 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 411 5.626 -2.020 -6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 411 3.904 -2.150 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 411 5.014 -1.222 -7.679 1.00 0.00 H new ATOM 1805 N PHE A 412 0.059 1.525 -5.615 1.00 0.00 N ATOM 1806 CA PHE A 412 -1.140 2.235 -6.155 1.00 0.00 C ATOM 1807 C PHE A 412 -1.652 3.252 -5.131 1.00 0.00 C ATOM 1808 O PHE A 412 -0.937 3.648 -4.229 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.181 1.138 -6.389 1.00 0.00 C ATOM 1810 CG PHE A 412 -3.012 1.485 -7.600 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -2.393 1.710 -8.835 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -4.404 1.584 -7.486 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -3.166 2.033 -9.957 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -5.176 1.907 -8.607 1.00 0.00 C ATOM 1815 CZ PHE A 412 -4.557 2.132 -9.843 1.00 0.00 C ATOM 0 H PHE A 412 0.250 1.693 -4.627 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.919 2.785 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -1.687 0.178 -6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.821 1.036 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -1.319 1.634 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.882 1.411 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -2.689 2.206 -10.910 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -6.250 1.983 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.153 2.382 -10.708 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.884 3.677 -5.264 1.00 0.00 N ATOM 1826 CA ASN A 413 -3.448 4.672 -4.301 1.00 0.00 C ATOM 1827 C ASN A 413 -4.852 4.243 -3.854 1.00 0.00 C ATOM 1828 O ASN A 413 -5.830 4.474 -4.538 1.00 0.00 O ATOM 1829 CB ASN A 413 -3.500 6.000 -5.067 1.00 0.00 C ATOM 1830 CG ASN A 413 -4.328 5.842 -6.347 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -5.493 6.190 -6.377 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -3.774 5.328 -7.410 1.00 0.00 N ATOM 0 H ASN A 413 -3.524 3.377 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 413 -2.843 4.756 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -3.936 6.775 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -2.490 6.324 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -4.318 5.218 -8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -2.797 5.036 -7.385 1.00 0.00 H new ATOM 1839 N VAL A 414 -4.951 3.622 -2.705 1.00 0.00 N ATOM 1840 CA VAL A 414 -6.285 3.176 -2.200 1.00 0.00 C ATOM 1841 C VAL A 414 -6.318 3.250 -0.669 1.00 0.00 C ATOM 1842 O VAL A 414 -5.295 3.391 -0.025 1.00 0.00 O ATOM 1843 CB VAL A 414 -6.431 1.726 -2.676 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -7.781 1.164 -2.218 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -6.360 1.676 -4.204 1.00 0.00 C ATOM 0 H VAL A 414 -4.164 3.405 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 414 -7.097 3.803 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 414 -5.624 1.129 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -7.880 0.133 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -7.837 1.194 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -8.587 1.765 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -6.464 0.644 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -7.165 2.278 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -5.400 2.071 -4.537 1.00 0.00 H new ATOM 1855 N LYS A 415 -7.486 3.155 -0.089 1.00 0.00 N ATOM 1856 CA LYS A 415 -7.600 3.216 1.400 1.00 0.00 C ATOM 1857 C LYS A 415 -7.252 1.851 2.015 1.00 0.00 C ATOM 1858 O LYS A 415 -7.358 0.838 1.352 1.00 0.00 O ATOM 1859 CB LYS A 415 -9.062 3.571 1.672 1.00 0.00 C ATOM 1860 CG LYS A 415 -9.204 5.088 1.810 1.00 0.00 C ATOM 1861 CD LYS A 415 -10.541 5.533 1.214 1.00 0.00 C ATOM 1862 CE LYS A 415 -10.943 6.884 1.811 1.00 0.00 C ATOM 1863 NZ LYS A 415 -11.761 7.542 0.756 1.00 0.00 N ATOM 0 H LYS A 415 -8.370 3.037 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 415 -6.917 3.944 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -9.692 3.209 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -9.403 3.079 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -9.149 5.375 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -8.382 5.589 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -10.459 5.613 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -11.310 4.789 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -11.514 6.755 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -10.066 7.482 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -12.074 8.475 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -11.189 7.657 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -12.592 6.954 0.543 1.00 0.00 H new ATOM 1877 N PRO A 416 -6.844 1.859 3.267 1.00 0.00 N ATOM 1878 CA PRO A 416 -6.484 0.588 3.947 1.00 0.00 C ATOM 1879 C PRO A 416 -7.736 -0.256 4.202 1.00 0.00 C ATOM 1880 O PRO A 416 -7.738 -1.455 3.997 1.00 0.00 O ATOM 1881 CB PRO A 416 -5.857 1.045 5.262 1.00 0.00 C ATOM 1882 CG PRO A 416 -6.432 2.401 5.510 1.00 0.00 C ATOM 1883 CD PRO A 416 -6.685 3.019 4.161 1.00 0.00 C ATOM 0 HA PRO A 416 -5.813 -0.036 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -6.098 0.359 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -4.770 1.084 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -7.357 2.330 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -5.743 3.013 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -7.578 3.644 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -5.855 3.653 3.850 1.00 0.00 H new ATOM 1891 N THR A 417 -8.800 0.365 4.646 1.00 0.00 N ATOM 1892 CA THR A 417 -10.060 -0.397 4.913 1.00 0.00 C ATOM 1893 C THR A 417 -10.713 -0.813 3.591 1.00 0.00 C ATOM 1894 O THR A 417 -11.800 -0.379 3.260 1.00 0.00 O ATOM 1895 CB THR A 417 -10.964 0.569 5.691 1.00 0.00 C ATOM 1896 OG1 THR A 417 -12.205 -0.066 5.960 1.00 0.00 O ATOM 1897 CG2 THR A 417 -11.210 1.840 4.871 1.00 0.00 C ATOM 0 H THR A 417 -8.851 1.366 4.835 1.00 0.00 H new ATOM 0 HA THR A 417 -9.877 -1.312 5.477 1.00 0.00 H new ATOM 0 HB THR A 417 -10.475 0.840 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 417 -12.632 -0.320 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 417 -11.853 2.517 5.434 1.00 0.00 H new ATOM 0 HG22 THR A 417 -10.258 2.330 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 417 -11.694 1.578 3.930 1.00 0.00 H new ATOM 1905 N CYS A 418 -10.051 -1.651 2.834 1.00 0.00 N ATOM 1906 CA CYS A 418 -10.618 -2.103 1.529 1.00 0.00 C ATOM 1907 C CYS A 418 -10.085 -3.507 1.197 1.00 0.00 C ATOM 1908 O CYS A 418 -9.124 -3.970 1.781 1.00 0.00 O ATOM 1909 CB CYS A 418 -10.150 -1.031 0.521 1.00 0.00 C ATOM 1910 SG CYS A 418 -10.367 -1.575 -1.201 1.00 0.00 S ATOM 0 H CYS A 418 -9.138 -2.043 3.066 1.00 0.00 H new ATOM 0 HA CYS A 418 -11.704 -2.192 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -10.711 -0.111 0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -9.100 -0.800 0.699 1.00 0.00 H new ATOM 1915 N LEU A 419 -10.719 -4.185 0.274 1.00 0.00 N ATOM 1916 CA LEU A 419 -10.276 -5.563 -0.098 1.00 0.00 C ATOM 1917 C LEU A 419 -9.349 -5.519 -1.318 1.00 0.00 C ATOM 1918 O LEU A 419 -9.266 -6.468 -2.075 1.00 0.00 O ATOM 1919 CB LEU A 419 -11.571 -6.311 -0.439 1.00 0.00 C ATOM 1920 CG LEU A 419 -12.240 -6.851 0.838 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -11.305 -7.850 1.525 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -12.552 -5.699 1.799 1.00 0.00 C ATOM 0 H LEU A 419 -11.529 -3.841 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 419 -9.717 -6.046 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -12.257 -5.643 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.353 -7.136 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 419 -13.171 -7.349 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -11.780 -8.231 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -11.097 -8.678 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -10.371 -7.353 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -13.025 -6.093 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -11.627 -5.190 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -13.226 -4.993 1.314 1.00 0.00 H new ATOM 1934 N ILE A 420 -8.652 -4.428 -1.512 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.728 -4.321 -2.682 1.00 0.00 C ATOM 1936 C ILE A 420 -6.272 -4.264 -2.201 1.00 0.00 C ATOM 1937 O ILE A 420 -5.365 -4.672 -2.900 1.00 0.00 O ATOM 1938 CB ILE A 420 -8.127 -3.018 -3.386 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -9.574 -3.128 -3.874 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -7.210 -2.773 -4.590 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -10.059 -1.760 -4.357 1.00 0.00 C ATOM 0 H ILE A 420 -8.683 -3.605 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 420 -7.802 -5.178 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 420 -8.032 -2.189 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -9.641 -3.855 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -10.214 -3.488 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.499 -1.846 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.177 -2.696 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -7.301 -3.602 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -11.089 -1.841 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -10.008 -1.045 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -9.426 -1.418 -5.176 1.00 0.00 H new ATOM 1953 N ASN A 421 -6.048 -3.760 -1.013 1.00 0.00 N ATOM 1954 CA ASN A 421 -4.654 -3.674 -0.481 1.00 0.00 C ATOM 1955 C ASN A 421 -4.610 -4.159 0.973 1.00 0.00 C ATOM 1956 O ASN A 421 -5.606 -4.135 1.672 1.00 0.00 O ATOM 1957 CB ASN A 421 -4.277 -2.191 -0.571 1.00 0.00 C ATOM 1958 CG ASN A 421 -5.270 -1.347 0.234 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -5.181 -1.270 1.443 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -6.218 -0.705 -0.392 1.00 0.00 N ATOM 0 H ASN A 421 -6.771 -3.404 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 421 -3.961 -4.300 -1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -3.267 -2.041 -0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -4.276 -1.870 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -6.884 -0.139 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -6.293 -0.769 -1.407 1.00 0.00 H new ATOM 1967 N ASN A 422 -3.463 -4.597 1.428 1.00 0.00 N ATOM 1968 CA ASN A 422 -3.346 -5.086 2.835 1.00 0.00 C ATOM 1969 C ASN A 422 -2.572 -4.075 3.686 1.00 0.00 C ATOM 1970 O ASN A 422 -3.105 -3.506 4.621 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.579 -6.406 2.734 1.00 0.00 C ATOM 1972 CG ASN A 422 -2.738 -7.190 4.038 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -3.811 -7.673 4.343 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -1.709 -7.338 4.826 1.00 0.00 N ATOM 0 H ASN A 422 -2.601 -4.637 0.884 1.00 0.00 H new ATOM 0 HA ASN A 422 -4.319 -5.217 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -2.954 -6.994 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.524 -6.212 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -1.805 -7.859 5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -0.808 -6.933 4.570 1.00 0.00 H new ATOM 1981 N SER A 423 -1.321 -3.848 3.371 1.00 0.00 N ATOM 1982 CA SER A 423 -0.510 -2.874 4.160 1.00 0.00 C ATOM 1983 C SER A 423 -0.474 -1.517 3.452 1.00 0.00 C ATOM 1984 O SER A 423 0.209 -1.344 2.461 1.00 0.00 O ATOM 1985 CB SER A 423 0.890 -3.481 4.225 1.00 0.00 C ATOM 1986 OG SER A 423 0.793 -4.846 4.605 1.00 0.00 O ATOM 0 H SER A 423 -0.827 -4.297 2.600 1.00 0.00 H new ATOM 0 HA SER A 423 -0.926 -2.703 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.381 -3.396 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 423 1.503 -2.935 4.942 1.00 0.00 H new ATOM 0 HG SER A 423 0.897 -5.414 3.813 1.00 0.00 H new ATOM 1992 N SER A 424 -1.205 -0.557 3.958 1.00 0.00 N ATOM 1993 CA SER A 424 -1.221 0.794 3.323 1.00 0.00 C ATOM 1994 C SER A 424 -0.346 1.762 4.124 1.00 0.00 C ATOM 1995 O SER A 424 -0.422 1.820 5.337 1.00 0.00 O ATOM 1996 CB SER A 424 -2.683 1.233 3.364 1.00 0.00 C ATOM 1997 OG SER A 424 -2.840 2.416 2.592 1.00 0.00 O ATOM 0 H SER A 424 -1.793 -0.652 4.786 1.00 0.00 H new ATOM 0 HA SER A 424 -0.830 0.779 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 424 -3.323 0.442 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 424 -2.992 1.413 4.394 1.00 0.00 H new ATOM 0 HG SER A 424 -3.778 2.699 2.615 1.00 0.00 H new ATOM 2003 N TYR A 425 0.482 2.521 3.451 1.00 0.00 N ATOM 2004 CA TYR A 425 1.366 3.490 4.165 1.00 0.00 C ATOM 2005 C TYR A 425 1.905 4.535 3.185 1.00 0.00 C ATOM 2006 O TYR A 425 2.638 4.217 2.268 1.00 0.00 O ATOM 2007 CB TYR A 425 2.509 2.643 4.727 1.00 0.00 C ATOM 2008 CG TYR A 425 3.047 3.291 5.980 1.00 0.00 C ATOM 2009 CD1 TYR A 425 2.356 3.158 7.190 1.00 0.00 C ATOM 2010 CD2 TYR A 425 4.238 4.025 5.932 1.00 0.00 C ATOM 2011 CE1 TYR A 425 2.855 3.759 8.352 1.00 0.00 C ATOM 2012 CE2 TYR A 425 4.737 4.626 7.093 1.00 0.00 C ATOM 2013 CZ TYR A 425 4.046 4.494 8.304 1.00 0.00 C ATOM 2014 OH TYR A 425 4.538 5.086 9.448 1.00 0.00 O ATOM 0 H TYR A 425 0.583 2.511 2.436 1.00 0.00 H new ATOM 0 HA TYR A 425 0.837 4.032 4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 425 2.155 1.636 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 425 3.302 2.546 3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 425 1.437 2.591 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 425 4.772 4.127 4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 425 2.321 3.656 9.285 1.00 0.00 H new ATOM 0 HE2 TYR A 425 5.656 5.192 7.055 1.00 0.00 H new ATOM 0 HH TYR A 425 5.372 5.556 9.240 1.00 0.00 H new ATOM 2024 N ILE A 426 1.544 5.778 3.375 1.00 0.00 N ATOM 2025 CA ILE A 426 2.029 6.855 2.459 1.00 0.00 C ATOM 2026 C ILE A 426 2.763 7.934 3.264 1.00 0.00 C ATOM 2027 O ILE A 426 2.346 9.076 3.310 1.00 0.00 O ATOM 2028 CB ILE A 426 0.764 7.425 1.806 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.034 6.316 1.042 1.00 0.00 C ATOM 2030 CG2 ILE A 426 1.146 8.542 0.830 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -1.337 6.823 0.591 1.00 0.00 C ATOM 0 H ILE A 426 0.932 6.095 4.127 1.00 0.00 H new ATOM 0 HA ILE A 426 2.732 6.483 1.713 1.00 0.00 H new ATOM 0 HB ILE A 426 0.111 7.825 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.622 6.008 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 426 -0.082 5.438 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 426 0.245 8.945 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 426 1.663 9.336 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 426 1.802 8.141 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.856 6.034 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.924 7.109 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.209 7.688 -0.060 1.00 0.00 H new ATOM 2043 N ALA A 427 3.850 7.575 3.899 1.00 0.00 N ATOM 2044 CA ALA A 427 4.616 8.570 4.705 1.00 0.00 C ATOM 2045 C ALA A 427 6.044 8.074 4.948 1.00 0.00 C ATOM 2046 O ALA A 427 6.282 7.236 5.797 1.00 0.00 O ATOM 2047 CB ALA A 427 3.855 8.678 6.026 1.00 0.00 C ATOM 0 H ALA A 427 4.240 6.633 3.893 1.00 0.00 H new ATOM 0 HA ALA A 427 4.698 9.532 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 427 4.357 9.394 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 427 2.837 9.015 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 427 3.828 7.702 6.511 1.00 0.00 H new