USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 735 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 501 GLN : amide:sc= 0.0927 K(o=0.23,f=-1.7!) USER MOD Set 1.2: A 503 HIS : no HD1:sc= 0.142 K(o=0.23,f=-1.2) USER MOD Set 2.1: A 431 CYS SG : rot -136:sc= -1.07 USER MOD Set 2.2: A 510 MET CE :methyl 163:sc= -0.102 (180deg=-0.411) USER MOD Single : A 433 TYR OH : rot 165:sc= -0.0133 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.24) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 HIS : no HD1:sc= 0.0397 K(o=0.04,f=-1.5) USER MOD Single : A 451 LYS NZ :NH3+ -153:sc= -0.328 (180deg=-1.22) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 459 SER OG : rot -55:sc= 0.727 USER MOD Single : A 461 TYR OH : rot 180:sc= -0.0306 USER MOD Single : A 464 TYR OH : rot -131:sc= 0.508 USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 THR OG1 : rot 170:sc=-0.00306 USER MOD Single : A 480 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 484 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ -148:sc= -0.0781 (180deg=-0.756) USER MOD Single : A 489 CYS SG : rot 180:sc= 0 USER MOD Single : A 491 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-7.4!) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 494 TYR OH : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 150:sc= -3.82! (180deg=-5.04!) USER MOD Single : A 497 ASN : amide:sc=-0.00357 X(o=-0.0036,f=-0.049) USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 507 LYS NZ :NH3+ -124:sc= -0.0854 (180deg=-0.51) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 MET CE :methyl -132:sc= -0.0122 (180deg=-0.803) USER MOD ----------------------------------------------------------------- ATOM 332 N GLY A 429 -4.811 -14.372 -1.171 1.00 0.00 N ATOM 333 CA GLY A 429 -4.376 -13.730 0.056 1.00 0.00 C ATOM 334 C GLY A 429 -5.074 -12.405 0.295 1.00 0.00 C ATOM 335 O GLY A 429 -5.855 -11.947 -0.539 1.00 0.00 O ATOM 0 HA2 GLY A 429 -4.567 -14.395 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 429 -3.299 -13.568 0.016 1.00 0.00 H new ATOM 339 N PHE A 430 -4.795 -11.790 1.440 1.00 0.00 N ATOM 340 CA PHE A 430 -5.404 -10.511 1.788 1.00 0.00 C ATOM 341 C PHE A 430 -4.340 -9.429 1.952 1.00 0.00 C ATOM 342 O PHE A 430 -3.637 -9.383 2.961 1.00 0.00 O ATOM 343 CB PHE A 430 -6.215 -10.644 3.079 1.00 0.00 C ATOM 344 CG PHE A 430 -7.134 -11.832 3.090 1.00 0.00 C ATOM 345 CD1 PHE A 430 -8.260 -11.861 2.282 1.00 0.00 C ATOM 346 CD2 PHE A 430 -6.872 -12.920 3.907 1.00 0.00 C ATOM 347 CE1 PHE A 430 -9.107 -12.953 2.291 1.00 0.00 C ATOM 348 CE2 PHE A 430 -7.716 -14.014 3.920 1.00 0.00 C ATOM 349 CZ PHE A 430 -8.834 -14.031 3.110 1.00 0.00 C ATOM 0 H PHE A 430 -4.152 -12.156 2.142 1.00 0.00 H new ATOM 0 HA PHE A 430 -6.070 -10.221 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -5.530 -10.717 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -6.804 -9.738 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -8.478 -11.021 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -5.998 -12.913 4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -9.982 -12.963 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -7.501 -14.855 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 430 -9.494 -14.886 3.117 1.00 0.00 H new ATOM 359 N CYS A 431 -4.229 -8.562 0.952 1.00 0.00 N ATOM 360 CA CYS A 431 -3.251 -7.480 0.983 1.00 0.00 C ATOM 361 C CYS A 431 -3.887 -6.160 0.561 1.00 0.00 C ATOM 362 O CYS A 431 -4.873 -6.140 -0.176 1.00 0.00 O ATOM 363 CB CYS A 431 -2.070 -7.806 0.067 1.00 0.00 C ATOM 364 SG CYS A 431 -1.160 -9.295 0.539 1.00 0.00 S ATOM 0 H CYS A 431 -4.804 -8.587 0.110 1.00 0.00 H new ATOM 0 HA CYS A 431 -2.891 -7.378 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 431 -2.437 -7.925 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 431 -1.383 -6.960 0.062 1.00 0.00 H new ATOM 0 HG CYS A 431 0.117 -9.064 0.466 1.00 0.00 H new ATOM 370 N VAL A 432 -3.318 -5.056 1.036 1.00 0.00 N ATOM 371 CA VAL A 432 -3.829 -3.731 0.709 1.00 0.00 C ATOM 372 C VAL A 432 -2.729 -2.842 0.139 1.00 0.00 C ATOM 373 O VAL A 432 -1.608 -2.821 0.648 1.00 0.00 O ATOM 374 CB VAL A 432 -4.440 -3.044 1.945 1.00 0.00 C ATOM 375 CG1 VAL A 432 -5.847 -3.562 2.203 1.00 0.00 C ATOM 376 CG2 VAL A 432 -3.553 -3.256 3.163 1.00 0.00 C ATOM 0 H VAL A 432 -2.503 -5.054 1.649 1.00 0.00 H new ATOM 0 HA VAL A 432 -4.606 -3.869 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 432 -4.503 -1.973 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -6.262 -3.065 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -6.475 -3.355 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -5.813 -4.637 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -3.999 -2.764 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.457 -4.323 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -2.567 -2.832 2.973 1.00 0.00 H new ATOM 386 N TYR A 433 -3.057 -2.109 -0.919 1.00 0.00 N ATOM 387 CA TYR A 433 -2.096 -1.219 -1.560 1.00 0.00 C ATOM 388 C TYR A 433 -2.324 0.227 -1.132 1.00 0.00 C ATOM 389 O TYR A 433 -3.420 0.768 -1.287 1.00 0.00 O ATOM 390 CB TYR A 433 -2.198 -1.335 -3.081 1.00 0.00 C ATOM 391 CG TYR A 433 -1.136 -0.554 -3.821 1.00 0.00 C ATOM 392 CD1 TYR A 433 0.170 -0.498 -3.347 1.00 0.00 C ATOM 393 CD2 TYR A 433 -1.437 0.131 -4.992 1.00 0.00 C ATOM 394 CE1 TYR A 433 1.144 0.215 -4.019 1.00 0.00 C ATOM 395 CE2 TYR A 433 -0.469 0.845 -5.671 1.00 0.00 C ATOM 396 CZ TYR A 433 0.819 0.885 -5.180 1.00 0.00 C ATOM 397 OH TYR A 433 1.786 1.597 -5.853 1.00 0.00 O ATOM 0 H TYR A 433 -3.981 -2.113 -1.351 1.00 0.00 H new ATOM 0 HA TYR A 433 -1.096 -1.518 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 433 -2.126 -2.386 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 433 -3.181 -0.986 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 433 0.427 -1.021 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 433 -2.445 0.105 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 433 2.154 0.248 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 433 -0.719 1.369 -6.581 1.00 0.00 H new ATOM 0 HH TYR A 433 1.469 1.806 -6.757 1.00 0.00 H new ATOM 407 N LEU A 434 -1.281 0.850 -0.595 1.00 0.00 N ATOM 408 CA LEU A 434 -1.365 2.235 -0.145 1.00 0.00 C ATOM 409 C LEU A 434 -0.494 3.142 -1.008 1.00 0.00 C ATOM 410 O LEU A 434 0.692 2.876 -1.208 1.00 0.00 O ATOM 411 CB LEU A 434 -0.938 2.343 1.320 1.00 0.00 C ATOM 412 CG LEU A 434 -1.886 1.716 2.343 1.00 0.00 C ATOM 413 CD1 LEU A 434 -1.157 1.445 3.650 1.00 0.00 C ATOM 414 CD2 LEU A 434 -3.089 2.618 2.579 1.00 0.00 C ATOM 0 H LEU A 434 -0.367 0.418 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.401 2.559 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 434 0.041 1.876 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 434 -0.817 3.398 1.566 1.00 0.00 H new ATOM 0 HG LEU A 434 -2.242 0.766 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 434 -1.847 0.999 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 434 -0.329 0.760 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 434 -0.772 2.382 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -3.753 2.156 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -2.751 3.584 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -3.626 2.761 1.641 1.00 0.00 H new ATOM 426 N LYS A 435 -1.089 4.216 -1.516 1.00 0.00 N ATOM 427 CA LYS A 435 -0.367 5.165 -2.356 1.00 0.00 C ATOM 428 C LYS A 435 -0.511 6.585 -1.818 1.00 0.00 C ATOM 429 O LYS A 435 -1.622 7.086 -1.649 1.00 0.00 O ATOM 430 CB LYS A 435 -0.883 5.099 -3.795 1.00 0.00 C ATOM 431 CG LYS A 435 -0.335 3.922 -4.584 1.00 0.00 C ATOM 432 CD LYS A 435 -0.714 4.011 -6.053 1.00 0.00 C ATOM 433 CE LYS A 435 -2.192 3.726 -6.266 1.00 0.00 C ATOM 434 NZ LYS A 435 -2.580 3.849 -7.698 1.00 0.00 N ATOM 0 H LYS A 435 -2.069 4.451 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 435 0.689 4.895 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -1.971 5.040 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -0.621 6.024 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 435 0.750 3.892 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -0.717 2.992 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -0.476 5.005 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -0.119 3.300 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -2.423 2.721 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.785 4.418 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -3.595 3.647 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.384 4.815 -8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -2.033 3.171 -8.265 1.00 0.00 H new ATOM 448 N GLY A 436 0.621 7.230 -1.551 1.00 0.00 N ATOM 449 CA GLY A 436 0.599 8.587 -1.037 1.00 0.00 C ATOM 450 C GLY A 436 1.452 8.750 0.205 1.00 0.00 C ATOM 451 O GLY A 436 1.666 9.867 0.678 1.00 0.00 O ATOM 0 H GLY A 436 1.553 6.837 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 436 0.952 9.270 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -0.429 8.869 -0.808 1.00 0.00 H new ATOM 455 N LEU A 437 1.941 7.634 0.736 1.00 0.00 N ATOM 456 CA LEU A 437 2.776 7.658 1.932 1.00 0.00 C ATOM 457 C LEU A 437 3.790 8.796 1.866 1.00 0.00 C ATOM 458 O LEU A 437 4.172 9.258 0.791 1.00 0.00 O ATOM 459 CB LEU A 437 3.501 6.322 2.098 1.00 0.00 C ATOM 460 CG LEU A 437 2.628 5.127 2.484 1.00 0.00 C ATOM 461 CD1 LEU A 437 3.408 3.829 2.345 1.00 0.00 C ATOM 462 CD2 LEU A 437 2.103 5.287 3.903 1.00 0.00 C ATOM 0 H LEU A 437 1.774 6.702 0.357 1.00 0.00 H new ATOM 0 HA LEU A 437 2.129 7.823 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.008 6.088 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.273 6.443 2.858 1.00 0.00 H new ATOM 0 HG LEU A 437 1.776 5.089 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.771 2.990 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.734 3.709 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.279 3.856 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.484 4.428 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.942 5.351 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.507 6.197 3.970 1.00 0.00 H new ATOM 474 N PRO A 438 4.238 9.258 3.043 1.00 0.00 N ATOM 475 CA PRO A 438 5.216 10.345 3.146 1.00 0.00 C ATOM 476 C PRO A 438 6.602 9.924 2.671 1.00 0.00 C ATOM 477 O PRO A 438 6.849 8.747 2.410 1.00 0.00 O ATOM 478 CB PRO A 438 5.236 10.664 4.643 1.00 0.00 C ATOM 479 CG PRO A 438 4.804 9.401 5.305 1.00 0.00 C ATOM 480 CD PRO A 438 3.825 8.754 4.364 1.00 0.00 C ATOM 0 HA PRO A 438 4.948 11.196 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 438 6.232 10.962 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 438 4.562 11.487 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 438 5.656 8.747 5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 438 4.341 9.605 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.878 7.666 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 438 2.798 9.034 4.598 1.00 0.00 H new ATOM 488 N PHE A 439 7.505 10.894 2.563 1.00 0.00 N ATOM 489 CA PHE A 439 8.868 10.623 2.120 1.00 0.00 C ATOM 490 C PHE A 439 9.629 9.813 3.165 1.00 0.00 C ATOM 491 O PHE A 439 10.227 8.784 2.853 1.00 0.00 O ATOM 492 CB PHE A 439 9.604 11.934 1.838 1.00 0.00 C ATOM 493 CG PHE A 439 8.792 12.921 1.050 1.00 0.00 C ATOM 494 CD1 PHE A 439 8.152 12.537 -0.118 1.00 0.00 C ATOM 495 CD2 PHE A 439 8.666 14.233 1.477 1.00 0.00 C ATOM 496 CE1 PHE A 439 7.404 13.443 -0.845 1.00 0.00 C ATOM 497 CE2 PHE A 439 7.919 15.144 0.754 1.00 0.00 C ATOM 498 CZ PHE A 439 7.286 14.748 -0.408 1.00 0.00 C ATOM 0 H PHE A 439 7.317 11.874 2.776 1.00 0.00 H new ATOM 0 HA PHE A 439 8.816 10.038 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 439 9.895 12.389 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 439 10.523 11.715 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 439 8.239 11.518 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 439 9.157 14.548 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 439 6.912 13.131 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 439 7.830 16.164 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 439 6.700 15.457 -0.974 1.00 0.00 H new ATOM 508 N GLU A 440 9.603 10.287 4.407 1.00 0.00 N ATOM 509 CA GLU A 440 10.292 9.608 5.498 1.00 0.00 C ATOM 510 C GLU A 440 9.374 8.593 6.172 1.00 0.00 C ATOM 511 O GLU A 440 9.530 8.288 7.354 1.00 0.00 O ATOM 512 CB GLU A 440 10.789 10.625 6.528 1.00 0.00 C ATOM 513 CG GLU A 440 11.861 11.559 5.991 1.00 0.00 C ATOM 514 CD GLU A 440 11.286 12.691 5.162 1.00 0.00 C ATOM 515 OE1 GLU A 440 10.209 13.206 5.528 1.00 0.00 O ATOM 516 OE2 GLU A 440 11.913 13.062 4.148 1.00 0.00 O ATOM 0 H GLU A 440 9.113 11.138 4.682 1.00 0.00 H new ATOM 0 HA GLU A 440 11.147 9.078 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 440 9.944 11.218 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 440 11.184 10.091 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 440 12.426 11.975 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 440 12.563 10.989 5.383 1.00 0.00 H new ATOM 523 N ALA A 441 8.416 8.073 5.412 1.00 0.00 N ATOM 524 CA ALA A 441 7.474 7.091 5.934 1.00 0.00 C ATOM 525 C ALA A 441 8.203 5.949 6.634 1.00 0.00 C ATOM 526 O ALA A 441 9.341 5.627 6.294 1.00 0.00 O ATOM 527 CB ALA A 441 6.597 6.552 4.814 1.00 0.00 C ATOM 0 H ALA A 441 8.272 8.316 4.432 1.00 0.00 H new ATOM 0 HA ALA A 441 6.840 7.588 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 441 5.899 5.820 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 441 6.040 7.372 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 441 7.223 6.077 4.058 1.00 0.00 H new ATOM 533 N GLU A 442 7.540 5.341 7.613 1.00 0.00 N ATOM 534 CA GLU A 442 8.127 4.236 8.361 1.00 0.00 C ATOM 535 C GLU A 442 7.072 3.187 8.700 1.00 0.00 C ATOM 536 O GLU A 442 5.892 3.503 8.847 1.00 0.00 O ATOM 537 CB GLU A 442 8.781 4.750 9.645 1.00 0.00 C ATOM 538 CG GLU A 442 10.127 5.418 9.417 1.00 0.00 C ATOM 539 CD GLU A 442 10.650 6.115 10.657 1.00 0.00 C ATOM 540 OE1 GLU A 442 9.859 6.814 11.324 1.00 0.00 O ATOM 541 OE2 GLU A 442 11.852 5.962 10.961 1.00 0.00 O ATOM 0 H GLU A 442 6.597 5.595 7.906 1.00 0.00 H new ATOM 0 HA GLU A 442 8.889 3.772 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 442 8.109 5.461 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 442 8.911 3.917 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 442 10.850 4.669 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 442 10.036 6.143 8.608 1.00 0.00 H new ATOM 548 N ASN A 443 7.506 1.937 8.822 1.00 0.00 N ATOM 549 CA ASN A 443 6.600 0.841 9.142 1.00 0.00 C ATOM 550 C ASN A 443 5.558 1.278 10.167 1.00 0.00 C ATOM 551 O ASN A 443 4.402 0.858 10.112 1.00 0.00 O ATOM 552 CB ASN A 443 7.385 -0.359 9.677 1.00 0.00 C ATOM 553 CG ASN A 443 8.640 -0.633 8.871 1.00 0.00 C ATOM 554 OD1 ASN A 443 9.749 -0.318 9.303 1.00 0.00 O ATOM 555 ND2 ASN A 443 8.470 -1.224 7.694 1.00 0.00 N ATOM 0 H ASN A 443 8.480 1.658 8.704 1.00 0.00 H new ATOM 0 HA ASN A 443 6.085 0.551 8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 443 7.656 -0.178 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 443 6.747 -1.243 9.663 1.00 0.00 H new ATOM 0 HD21 ASN A 443 9.278 -1.435 7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 443 7.532 -1.467 7.376 1.00 0.00 H new ATOM 562 N LYS A 444 5.975 2.125 11.102 1.00 0.00 N ATOM 563 CA LYS A 444 5.079 2.622 12.140 1.00 0.00 C ATOM 564 C LYS A 444 3.893 3.360 11.527 1.00 0.00 C ATOM 565 O LYS A 444 2.745 3.143 11.917 1.00 0.00 O ATOM 566 CB LYS A 444 5.835 3.552 13.092 1.00 0.00 C ATOM 567 CG LYS A 444 6.353 4.814 12.426 1.00 0.00 C ATOM 568 CD LYS A 444 7.049 5.725 13.423 1.00 0.00 C ATOM 569 CE LYS A 444 8.447 5.225 13.754 1.00 0.00 C ATOM 570 NZ LYS A 444 9.098 6.053 14.807 1.00 0.00 N ATOM 0 H LYS A 444 6.929 2.482 11.162 1.00 0.00 H new ATOM 0 HA LYS A 444 4.702 1.766 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 444 5.176 3.830 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 444 6.675 3.009 13.526 1.00 0.00 H new ATOM 0 HG2 LYS A 444 7.047 4.547 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.524 5.348 11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 444 7.110 6.734 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 444 6.457 5.786 14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 444 8.392 4.189 14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 444 9.060 5.237 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 10.049 5.680 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 9.174 7.037 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 8.527 6.022 15.676 1.00 0.00 H new ATOM 584 N HIS A 445 4.178 4.232 10.564 1.00 0.00 N ATOM 585 CA HIS A 445 3.134 5.000 9.896 1.00 0.00 C ATOM 586 C HIS A 445 2.082 4.076 9.290 1.00 0.00 C ATOM 587 O HIS A 445 0.882 4.286 9.463 1.00 0.00 O ATOM 588 CB HIS A 445 3.741 5.885 8.806 1.00 0.00 C ATOM 589 CG HIS A 445 4.503 7.057 9.342 1.00 0.00 C ATOM 590 ND1 HIS A 445 5.814 6.974 9.762 1.00 0.00 N ATOM 591 CD2 HIS A 445 4.132 8.346 9.523 1.00 0.00 C ATOM 592 CE1 HIS A 445 6.216 8.161 10.180 1.00 0.00 C ATOM 593 NE2 HIS A 445 5.214 9.012 10.045 1.00 0.00 N ATOM 0 H HIS A 445 5.122 4.424 10.230 1.00 0.00 H new ATOM 0 HA HIS A 445 2.650 5.633 10.640 1.00 0.00 H new ATOM 0 HB2 HIS A 445 4.406 5.282 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 445 2.943 6.247 8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 445 3.165 8.772 9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 445 7.197 8.396 10.566 1.00 0.00 H new ATOM 0 HE2 HIS A 445 5.240 10.002 10.289 1.00 0.00 H new ATOM 602 N VAL A 446 2.541 3.051 8.578 1.00 0.00 N ATOM 603 CA VAL A 446 1.640 2.094 7.947 1.00 0.00 C ATOM 604 C VAL A 446 0.787 1.375 8.985 1.00 0.00 C ATOM 605 O VAL A 446 -0.409 1.162 8.781 1.00 0.00 O ATOM 606 CB VAL A 446 2.418 1.049 7.125 1.00 0.00 C ATOM 607 CG1 VAL A 446 1.463 0.050 6.490 1.00 0.00 C ATOM 608 CG2 VAL A 446 3.270 1.732 6.066 1.00 0.00 C ATOM 0 H VAL A 446 3.532 2.862 8.424 1.00 0.00 H new ATOM 0 HA VAL A 446 0.992 2.662 7.279 1.00 0.00 H new ATOM 0 HB VAL A 446 3.081 0.504 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 446 2.031 -0.680 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 446 0.900 -0.462 7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 446 0.772 0.575 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.813 0.979 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.628 2.303 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 446 3.980 2.404 6.548 1.00 0.00 H new ATOM 618 N ILE A 447 1.408 1.004 10.100 1.00 0.00 N ATOM 619 CA ILE A 447 0.705 0.311 11.171 1.00 0.00 C ATOM 620 C ILE A 447 -0.434 1.162 11.723 1.00 0.00 C ATOM 621 O ILE A 447 -1.582 0.722 11.778 1.00 0.00 O ATOM 622 CB ILE A 447 1.658 -0.060 12.323 1.00 0.00 C ATOM 623 CG1 ILE A 447 2.738 -1.026 11.829 1.00 0.00 C ATOM 624 CG2 ILE A 447 0.880 -0.673 13.478 1.00 0.00 C ATOM 625 CD1 ILE A 447 3.963 -1.066 12.715 1.00 0.00 C ATOM 0 H ILE A 447 2.397 1.172 10.284 1.00 0.00 H new ATOM 0 HA ILE A 447 0.296 -0.603 10.739 1.00 0.00 H new ATOM 0 HB ILE A 447 2.144 0.848 12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 447 2.315 -2.028 11.762 1.00 0.00 H new ATOM 0 HG13 ILE A 447 3.038 -0.739 10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 447 1.567 -0.930 14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 447 0.145 0.044 13.843 1.00 0.00 H new ATOM 0 HG23 ILE A 447 0.370 -1.573 13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 447 4.686 -1.771 12.305 1.00 0.00 H new ATOM 0 HD12 ILE A 447 4.411 -0.073 12.762 1.00 0.00 H new ATOM 0 HD13 ILE A 447 3.677 -1.383 13.718 1.00 0.00 H new ATOM 637 N ASP A 448 -0.107 2.384 12.129 1.00 0.00 N ATOM 638 CA ASP A 448 -1.103 3.300 12.674 1.00 0.00 C ATOM 639 C ASP A 448 -2.266 3.478 11.704 1.00 0.00 C ATOM 640 O ASP A 448 -3.431 3.362 12.086 1.00 0.00 O ATOM 641 CB ASP A 448 -0.466 4.656 12.981 1.00 0.00 C ATOM 642 CG ASP A 448 -1.156 5.375 14.124 1.00 0.00 C ATOM 643 OD1 ASP A 448 -0.842 5.068 15.293 1.00 0.00 O ATOM 644 OD2 ASP A 448 -2.009 6.244 13.849 1.00 0.00 O ATOM 0 H ASP A 448 0.839 2.763 12.091 1.00 0.00 H new ATOM 0 HA ASP A 448 -1.488 2.871 13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.586 4.512 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 448 -0.501 5.281 12.089 1.00 0.00 H new ATOM 649 N PHE A 449 -1.943 3.762 10.446 1.00 0.00 N ATOM 650 CA PHE A 449 -2.961 3.958 9.421 1.00 0.00 C ATOM 651 C PHE A 449 -4.090 2.942 9.573 1.00 0.00 C ATOM 652 O PHE A 449 -5.266 3.280 9.441 1.00 0.00 O ATOM 653 CB PHE A 449 -2.340 3.843 8.027 1.00 0.00 C ATOM 654 CG PHE A 449 -3.275 4.238 6.920 1.00 0.00 C ATOM 655 CD1 PHE A 449 -4.154 3.316 6.375 1.00 0.00 C ATOM 656 CD2 PHE A 449 -3.275 5.532 6.424 1.00 0.00 C ATOM 657 CE1 PHE A 449 -5.016 3.677 5.356 1.00 0.00 C ATOM 658 CE2 PHE A 449 -4.135 5.899 5.406 1.00 0.00 C ATOM 659 CZ PHE A 449 -5.005 4.970 4.871 1.00 0.00 C ATOM 0 H PHE A 449 -0.984 3.861 10.112 1.00 0.00 H new ATOM 0 HA PHE A 449 -3.377 4.958 9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 449 -1.450 4.471 7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 449 -2.014 2.815 7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 449 -4.166 2.303 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 449 -2.595 6.262 6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 449 -5.697 2.949 4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 449 -4.126 6.911 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 449 -5.676 5.254 4.074 1.00 0.00 H new ATOM 669 N PHE A 450 -3.722 1.696 9.851 1.00 0.00 N ATOM 670 CA PHE A 450 -4.702 0.630 10.020 1.00 0.00 C ATOM 671 C PHE A 450 -4.662 0.073 11.441 1.00 0.00 C ATOM 672 O PHE A 450 -4.467 -1.125 11.645 1.00 0.00 O ATOM 673 CB PHE A 450 -4.444 -0.493 9.013 1.00 0.00 C ATOM 674 CG PHE A 450 -4.684 -0.086 7.587 1.00 0.00 C ATOM 675 CD1 PHE A 450 -5.902 0.451 7.202 1.00 0.00 C ATOM 676 CD2 PHE A 450 -3.692 -0.242 6.632 1.00 0.00 C ATOM 677 CE1 PHE A 450 -6.126 0.827 5.891 1.00 0.00 C ATOM 678 CE2 PHE A 450 -3.911 0.132 5.320 1.00 0.00 C ATOM 679 CZ PHE A 450 -5.129 0.666 4.948 1.00 0.00 C ATOM 0 H PHE A 450 -2.753 1.400 9.964 1.00 0.00 H new ATOM 0 HA PHE A 450 -5.692 1.050 9.841 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -3.414 -0.834 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -5.086 -1.341 9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.685 0.577 7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -2.738 -0.660 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -7.079 1.246 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -3.129 0.007 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 450 -5.302 0.957 3.922 1.00 0.00 H new ATOM 689 N LYS A 451 -4.846 0.953 12.419 1.00 0.00 N ATOM 690 CA LYS A 451 -4.831 0.553 13.821 1.00 0.00 C ATOM 691 C LYS A 451 -6.000 -0.377 14.134 1.00 0.00 C ATOM 692 O LYS A 451 -7.006 -0.386 13.424 1.00 0.00 O ATOM 693 CB LYS A 451 -4.890 1.786 14.726 1.00 0.00 C ATOM 694 CG LYS A 451 -3.530 2.400 15.006 1.00 0.00 C ATOM 695 CD LYS A 451 -3.478 3.035 16.386 1.00 0.00 C ATOM 696 CE LYS A 451 -3.110 2.017 17.454 1.00 0.00 C ATOM 697 NZ LYS A 451 -4.307 1.297 17.971 1.00 0.00 N ATOM 0 H LYS A 451 -5.007 1.949 12.266 1.00 0.00 H new ATOM 0 HA LYS A 451 -3.901 0.016 14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -5.530 2.537 14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -5.357 1.510 15.672 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -2.760 1.632 14.929 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -3.307 3.152 14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -2.749 3.845 16.388 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -4.446 3.477 16.621 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -2.404 1.297 17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -2.606 2.522 18.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -4.127 0.980 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -5.128 1.936 17.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -4.503 0.472 17.369 1.00 0.00 H new ATOM 711 N LYS A 452 -5.861 -1.156 15.201 1.00 0.00 N ATOM 712 CA LYS A 452 -6.906 -2.087 15.610 1.00 0.00 C ATOM 713 C LYS A 452 -7.023 -3.242 14.621 1.00 0.00 C ATOM 714 O LYS A 452 -8.107 -3.791 14.417 1.00 0.00 O ATOM 715 CB LYS A 452 -8.249 -1.361 15.724 1.00 0.00 C ATOM 716 CG LYS A 452 -9.178 -1.961 16.764 1.00 0.00 C ATOM 717 CD LYS A 452 -10.394 -1.081 16.999 1.00 0.00 C ATOM 718 CE LYS A 452 -11.033 -1.363 18.351 1.00 0.00 C ATOM 719 NZ LYS A 452 -11.859 -2.601 18.326 1.00 0.00 N ATOM 0 H LYS A 452 -5.034 -1.161 15.799 1.00 0.00 H new ATOM 0 HA LYS A 452 -6.635 -2.492 16.585 1.00 0.00 H new ATOM 0 HB2 LYS A 452 -8.067 -0.315 15.972 1.00 0.00 H new ATOM 0 HB3 LYS A 452 -8.745 -1.377 14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 452 -9.501 -2.950 16.438 1.00 0.00 H new ATOM 0 HG3 LYS A 452 -8.638 -2.095 17.701 1.00 0.00 H new ATOM 0 HD2 LYS A 452 -10.102 -0.032 16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 452 -11.125 -1.249 16.208 1.00 0.00 H new ATOM 0 HE2 LYS A 452 -10.254 -1.461 19.107 1.00 0.00 H new ATOM 0 HE3 LYS A 452 -11.655 -0.517 18.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 -12.277 -2.758 19.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 -12.618 -2.498 17.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 -11.260 -3.413 18.073 1.00 0.00 H new ATOM 733 N LEU A 453 -5.901 -3.608 14.011 1.00 0.00 N ATOM 734 CA LEU A 453 -5.877 -4.700 13.044 1.00 0.00 C ATOM 735 C LEU A 453 -4.602 -5.525 13.185 1.00 0.00 C ATOM 736 O LEU A 453 -3.602 -5.052 13.726 1.00 0.00 O ATOM 737 CB LEU A 453 -5.988 -4.150 11.621 1.00 0.00 C ATOM 738 CG LEU A 453 -7.148 -3.188 11.362 1.00 0.00 C ATOM 739 CD1 LEU A 453 -7.056 -2.606 9.960 1.00 0.00 C ATOM 740 CD2 LEU A 453 -8.482 -3.894 11.562 1.00 0.00 C ATOM 0 H LEU A 453 -4.996 -3.165 14.169 1.00 0.00 H new ATOM 0 HA LEU A 453 -6.730 -5.348 13.244 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.057 -3.639 11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -6.079 -4.991 10.934 1.00 0.00 H new ATOM 0 HG LEU A 453 -7.082 -2.369 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -7.890 -1.924 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -6.117 -2.064 9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -7.096 -3.413 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -9.296 -3.194 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -8.557 -4.733 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -8.549 -4.261 12.586 1.00 0.00 H new ATOM 752 N ASP A 454 -4.643 -6.758 12.693 1.00 0.00 N ATOM 753 CA ASP A 454 -3.490 -7.647 12.760 1.00 0.00 C ATOM 754 C ASP A 454 -2.675 -7.580 11.472 1.00 0.00 C ATOM 755 O ASP A 454 -3.074 -8.130 10.445 1.00 0.00 O ATOM 756 CB ASP A 454 -3.942 -9.086 13.018 1.00 0.00 C ATOM 757 CG ASP A 454 -4.219 -9.352 14.485 1.00 0.00 C ATOM 758 OD1 ASP A 454 -5.047 -8.626 15.074 1.00 0.00 O ATOM 759 OD2 ASP A 454 -3.608 -10.286 15.043 1.00 0.00 O ATOM 0 H ASP A 454 -5.463 -7.165 12.243 1.00 0.00 H new ATOM 0 HA ASP A 454 -2.858 -7.319 13.586 1.00 0.00 H new ATOM 0 HB2 ASP A 454 -4.842 -9.290 12.438 1.00 0.00 H new ATOM 0 HB3 ASP A 454 -3.173 -9.774 12.666 1.00 0.00 H new ATOM 764 N ILE A 455 -1.534 -6.902 11.535 1.00 0.00 N ATOM 765 CA ILE A 455 -0.664 -6.763 10.373 1.00 0.00 C ATOM 766 C ILE A 455 0.700 -7.394 10.630 1.00 0.00 C ATOM 767 O ILE A 455 1.308 -7.180 11.679 1.00 0.00 O ATOM 768 CB ILE A 455 -0.470 -5.284 9.989 1.00 0.00 C ATOM 769 CG1 ILE A 455 -1.823 -4.621 9.727 1.00 0.00 C ATOM 770 CG2 ILE A 455 0.429 -5.168 8.768 1.00 0.00 C ATOM 771 CD1 ILE A 455 -1.750 -3.112 9.643 1.00 0.00 C ATOM 0 H ILE A 455 -1.190 -6.441 12.377 1.00 0.00 H new ATOM 0 HA ILE A 455 -1.152 -7.282 9.548 1.00 0.00 H new ATOM 0 HB ILE A 455 0.011 -4.768 10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 455 -2.234 -5.009 8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 455 -2.515 -4.900 10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 455 0.557 -4.117 8.509 1.00 0.00 H new ATOM 0 HG22 ILE A 455 1.401 -5.608 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 455 -0.026 -5.696 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 455 -2.745 -2.709 9.456 1.00 0.00 H new ATOM 0 HD12 ILE A 455 -1.368 -2.713 10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 455 -1.083 -2.825 8.830 1.00 0.00 H new ATOM 783 N VAL A 456 1.177 -8.172 9.663 1.00 0.00 N ATOM 784 CA VAL A 456 2.472 -8.833 9.782 1.00 0.00 C ATOM 785 C VAL A 456 3.614 -7.847 9.563 1.00 0.00 C ATOM 786 O VAL A 456 3.901 -7.458 8.431 1.00 0.00 O ATOM 787 CB VAL A 456 2.606 -9.990 8.775 1.00 0.00 C ATOM 788 CG1 VAL A 456 3.768 -10.895 9.154 1.00 0.00 C ATOM 789 CG2 VAL A 456 1.308 -10.780 8.695 1.00 0.00 C ATOM 0 H VAL A 456 0.686 -8.360 8.789 1.00 0.00 H new ATOM 0 HA VAL A 456 2.531 -9.234 10.794 1.00 0.00 H new ATOM 0 HB VAL A 456 2.810 -9.570 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 456 3.848 -11.707 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 456 4.693 -10.318 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 456 3.598 -11.309 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 456 1.421 -11.594 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 456 1.071 -11.191 9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 456 0.501 -10.122 8.373 1.00 0.00 H new ATOM 799 N GLU A 457 4.261 -7.447 10.653 1.00 0.00 N ATOM 800 CA GLU A 457 5.372 -6.506 10.579 1.00 0.00 C ATOM 801 C GLU A 457 6.268 -6.814 9.382 1.00 0.00 C ATOM 802 O GLU A 457 6.902 -5.921 8.821 1.00 0.00 O ATOM 803 CB GLU A 457 6.194 -6.549 11.869 1.00 0.00 C ATOM 804 CG GLU A 457 5.574 -5.762 13.011 1.00 0.00 C ATOM 805 CD GLU A 457 4.320 -6.416 13.558 1.00 0.00 C ATOM 806 OE1 GLU A 457 4.368 -7.624 13.871 1.00 0.00 O ATOM 807 OE2 GLU A 457 3.290 -5.719 13.673 1.00 0.00 O ATOM 0 H GLU A 457 4.035 -7.760 11.597 1.00 0.00 H new ATOM 0 HA GLU A 457 4.958 -5.505 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.316 -7.587 12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.191 -6.157 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 457 6.304 -5.657 13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 457 5.334 -4.756 12.666 1.00 0.00 H new ATOM 814 N ASP A 458 6.313 -8.085 8.997 1.00 0.00 N ATOM 815 CA ASP A 458 7.130 -8.513 7.867 1.00 0.00 C ATOM 816 C ASP A 458 6.482 -8.111 6.546 1.00 0.00 C ATOM 817 O ASP A 458 7.105 -7.453 5.713 1.00 0.00 O ATOM 818 CB ASP A 458 7.340 -10.027 7.907 1.00 0.00 C ATOM 819 CG ASP A 458 7.782 -10.586 6.569 1.00 0.00 C ATOM 820 OD1 ASP A 458 8.934 -10.320 6.166 1.00 0.00 O ATOM 821 OD2 ASP A 458 6.976 -11.289 5.925 1.00 0.00 O ATOM 0 H ASP A 458 5.794 -8.837 9.451 1.00 0.00 H new ATOM 0 HA ASP A 458 8.098 -8.018 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.088 -10.267 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.412 -10.512 8.211 1.00 0.00 H new ATOM 826 N SER A 459 5.229 -8.513 6.360 1.00 0.00 N ATOM 827 CA SER A 459 4.499 -8.200 5.138 1.00 0.00 C ATOM 828 C SER A 459 4.673 -6.731 4.763 1.00 0.00 C ATOM 829 O SER A 459 5.040 -6.407 3.633 1.00 0.00 O ATOM 830 CB SER A 459 3.013 -8.521 5.310 1.00 0.00 C ATOM 831 OG SER A 459 2.389 -7.596 6.184 1.00 0.00 O ATOM 0 H SER A 459 4.698 -9.056 7.041 1.00 0.00 H new ATOM 0 HA SER A 459 4.905 -8.814 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.518 -8.499 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 459 2.899 -9.531 5.703 1.00 0.00 H new ATOM 0 HG SER A 459 2.866 -7.582 7.040 1.00 0.00 H new ATOM 837 N ILE A 460 4.406 -5.847 5.718 1.00 0.00 N ATOM 838 CA ILE A 460 4.534 -4.413 5.490 1.00 0.00 C ATOM 839 C ILE A 460 5.734 -4.104 4.601 1.00 0.00 C ATOM 840 O ILE A 460 6.881 -4.180 5.040 1.00 0.00 O ATOM 841 CB ILE A 460 4.679 -3.642 6.815 1.00 0.00 C ATOM 842 CG1 ILE A 460 3.688 -4.176 7.852 1.00 0.00 C ATOM 843 CG2 ILE A 460 4.465 -2.153 6.588 1.00 0.00 C ATOM 844 CD1 ILE A 460 3.358 -3.180 8.941 1.00 0.00 C ATOM 0 H ILE A 460 4.099 -6.099 6.658 1.00 0.00 H new ATOM 0 HA ILE A 460 3.621 -4.090 4.990 1.00 0.00 H new ATOM 0 HB ILE A 460 5.690 -3.790 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 460 2.767 -4.468 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 460 4.101 -5.076 8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 460 4.571 -1.622 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 460 5.206 -1.783 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 460 3.465 -1.986 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 460 2.651 -3.626 9.640 1.00 0.00 H new ATOM 0 HD12 ILE A 460 4.270 -2.906 9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 460 2.916 -2.288 8.497 1.00 0.00 H new ATOM 856 N TYR A 461 5.460 -3.752 3.349 1.00 0.00 N ATOM 857 CA TYR A 461 6.517 -3.430 2.397 1.00 0.00 C ATOM 858 C TYR A 461 6.327 -2.028 1.826 1.00 0.00 C ATOM 859 O TYR A 461 5.261 -1.698 1.305 1.00 0.00 O ATOM 860 CB TYR A 461 6.541 -4.457 1.264 1.00 0.00 C ATOM 861 CG TYR A 461 7.775 -4.371 0.395 1.00 0.00 C ATOM 862 CD1 TYR A 461 8.054 -3.226 -0.340 1.00 0.00 C ATOM 863 CD2 TYR A 461 8.664 -5.436 0.311 1.00 0.00 C ATOM 864 CE1 TYR A 461 9.180 -3.144 -1.136 1.00 0.00 C ATOM 865 CE2 TYR A 461 9.794 -5.362 -0.481 1.00 0.00 C ATOM 866 CZ TYR A 461 10.047 -4.214 -1.203 1.00 0.00 C ATOM 867 OH TYR A 461 11.171 -4.136 -1.993 1.00 0.00 O ATOM 0 H TYR A 461 4.516 -3.683 2.970 1.00 0.00 H new ATOM 0 HA TYR A 461 7.470 -3.460 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 461 6.476 -5.458 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 461 5.658 -4.319 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 461 7.379 -2.385 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 461 8.468 -6.337 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 461 9.380 -2.247 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 461 10.475 -6.198 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 461 11.676 -4.973 -1.927 1.00 0.00 H new ATOM 877 N ILE A 462 7.369 -1.210 1.926 1.00 0.00 N ATOM 878 CA ILE A 462 7.319 0.155 1.417 1.00 0.00 C ATOM 879 C ILE A 462 8.397 0.390 0.365 1.00 0.00 C ATOM 880 O ILE A 462 9.564 0.058 0.573 1.00 0.00 O ATOM 881 CB ILE A 462 7.489 1.185 2.550 1.00 0.00 C ATOM 882 CG1 ILE A 462 6.337 1.070 3.550 1.00 0.00 C ATOM 883 CG2 ILE A 462 7.564 2.593 1.979 1.00 0.00 C ATOM 884 CD1 ILE A 462 6.589 1.806 4.848 1.00 0.00 C ATOM 0 H ILE A 462 8.258 -1.468 2.355 1.00 0.00 H new ATOM 0 HA ILE A 462 6.337 0.286 0.962 1.00 0.00 H new ATOM 0 HB ILE A 462 8.422 0.977 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 462 5.428 1.459 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 462 6.159 0.017 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 462 7.684 3.309 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 462 8.415 2.666 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 462 6.647 2.814 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 462 5.731 1.681 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 462 7.480 1.401 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 462 6.738 2.866 4.642 1.00 0.00 H new ATOM 896 N ALA A 463 7.999 0.967 -0.764 1.00 0.00 N ATOM 897 CA ALA A 463 8.933 1.251 -1.847 1.00 0.00 C ATOM 898 C ALA A 463 9.630 2.590 -1.635 1.00 0.00 C ATOM 899 O ALA A 463 8.993 3.584 -1.284 1.00 0.00 O ATOM 900 CB ALA A 463 8.208 1.237 -3.185 1.00 0.00 C ATOM 0 H ALA A 463 7.036 1.247 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 463 9.695 0.472 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 463 8.917 1.450 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 463 7.762 0.256 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 463 7.425 1.995 -3.182 1.00 0.00 H new ATOM 906 N TYR A 464 10.941 2.609 -1.848 1.00 0.00 N ATOM 907 CA TYR A 464 11.725 3.826 -1.677 1.00 0.00 C ATOM 908 C TYR A 464 12.370 4.249 -2.994 1.00 0.00 C ATOM 909 O TYR A 464 12.793 3.410 -3.788 1.00 0.00 O ATOM 910 CB TYR A 464 12.803 3.617 -0.612 1.00 0.00 C ATOM 911 CG TYR A 464 12.276 3.678 0.804 1.00 0.00 C ATOM 912 CD1 TYR A 464 11.563 2.617 1.347 1.00 0.00 C ATOM 913 CD2 TYR A 464 12.492 4.797 1.599 1.00 0.00 C ATOM 914 CE1 TYR A 464 11.079 2.668 2.639 1.00 0.00 C ATOM 915 CE2 TYR A 464 12.013 4.857 2.893 1.00 0.00 C ATOM 916 CZ TYR A 464 11.306 3.790 3.408 1.00 0.00 C ATOM 917 OH TYR A 464 10.827 3.845 4.697 1.00 0.00 O ATOM 0 H TYR A 464 11.483 1.795 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 464 11.052 4.619 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 464 13.278 2.649 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 464 13.576 4.375 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 464 11.384 1.736 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 464 13.044 5.634 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 464 10.526 1.834 3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 464 12.191 5.734 3.498 1.00 0.00 H new ATOM 0 HH TYR A 464 10.357 4.694 4.835 1.00 0.00 H new ATOM 927 N GLY A 465 12.442 5.558 -3.217 1.00 0.00 N ATOM 928 CA GLY A 465 13.037 6.071 -4.437 1.00 0.00 C ATOM 929 C GLY A 465 14.552 6.032 -4.405 1.00 0.00 C ATOM 930 O GLY A 465 15.166 5.797 -3.364 1.00 0.00 O ATOM 0 H GLY A 465 12.099 6.272 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 465 12.680 5.487 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 465 12.706 7.098 -4.595 1.00 0.00 H new ATOM 934 N PRO A 466 15.178 6.264 -5.567 1.00 0.00 N ATOM 935 CA PRO A 466 16.639 6.259 -5.694 1.00 0.00 C ATOM 936 C PRO A 466 17.286 7.449 -4.995 1.00 0.00 C ATOM 937 O PRO A 466 18.506 7.506 -4.846 1.00 0.00 O ATOM 938 CB PRO A 466 16.864 6.341 -7.206 1.00 0.00 C ATOM 939 CG PRO A 466 15.637 6.999 -7.737 1.00 0.00 C ATOM 940 CD PRO A 466 14.510 6.552 -6.848 1.00 0.00 C ATOM 0 HA PRO A 466 17.085 5.380 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 466 17.757 6.919 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 466 17.001 5.351 -7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 466 15.739 8.084 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 466 15.456 6.710 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 466 13.752 7.328 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 466 14.009 5.670 -7.247 1.00 0.00 H new ATOM 948 N ASN A 467 16.460 8.399 -4.566 1.00 0.00 N ATOM 949 CA ASN A 467 16.953 9.588 -3.881 1.00 0.00 C ATOM 950 C ASN A 467 16.702 9.495 -2.379 1.00 0.00 C ATOM 951 O ASN A 467 16.746 10.498 -1.668 1.00 0.00 O ATOM 952 CB ASN A 467 16.281 10.842 -4.445 1.00 0.00 C ATOM 953 CG ASN A 467 16.049 10.751 -5.941 1.00 0.00 C ATOM 954 OD1 ASN A 467 16.945 11.034 -6.737 1.00 0.00 O ATOM 955 ND2 ASN A 467 14.843 10.355 -6.330 1.00 0.00 N ATOM 0 H ASN A 467 15.447 8.368 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 467 18.028 9.653 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 467 15.327 10.997 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 467 16.901 11.712 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 467 14.628 10.275 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 467 14.131 10.131 -5.635 1.00 0.00 H new ATOM 962 N GLY A 468 16.438 8.282 -1.903 1.00 0.00 N ATOM 963 CA GLY A 468 16.185 8.079 -0.489 1.00 0.00 C ATOM 964 C GLY A 468 14.750 8.385 -0.107 1.00 0.00 C ATOM 965 O GLY A 468 14.226 7.836 0.862 1.00 0.00 O ATOM 0 H GLY A 468 16.395 7.436 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 468 16.415 7.046 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 468 16.855 8.713 0.092 1.00 0.00 H new ATOM 969 N LYS A 469 14.112 9.266 -0.870 1.00 0.00 N ATOM 970 CA LYS A 469 12.729 9.646 -0.608 1.00 0.00 C ATOM 971 C LYS A 469 11.776 8.508 -0.959 1.00 0.00 C ATOM 972 O LYS A 469 11.897 7.887 -2.014 1.00 0.00 O ATOM 973 CB LYS A 469 12.361 10.898 -1.409 1.00 0.00 C ATOM 974 CG LYS A 469 13.267 12.085 -1.131 1.00 0.00 C ATOM 975 CD LYS A 469 12.748 12.924 0.024 1.00 0.00 C ATOM 976 CE LYS A 469 13.410 14.293 0.060 1.00 0.00 C ATOM 977 NZ LYS A 469 12.681 15.285 -0.778 1.00 0.00 N ATOM 0 H LYS A 469 14.531 9.731 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 469 12.634 9.862 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 469 12.400 10.663 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 469 11.332 11.176 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 469 14.272 11.731 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 469 13.343 12.703 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 469 11.668 13.043 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 469 12.933 12.405 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 469 13.452 14.649 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 469 14.439 14.208 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 13.164 16.205 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 12.662 14.959 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 11.707 15.386 -0.428 1.00 0.00 H new ATOM 991 N ALA A 470 10.827 8.240 -0.067 1.00 0.00 N ATOM 992 CA ALA A 470 9.852 7.179 -0.284 1.00 0.00 C ATOM 993 C ALA A 470 9.010 7.453 -1.526 1.00 0.00 C ATOM 994 O ALA A 470 8.358 8.493 -1.630 1.00 0.00 O ATOM 995 CB ALA A 470 8.959 7.024 0.938 1.00 0.00 C ATOM 0 H ALA A 470 10.713 8.744 0.813 1.00 0.00 H new ATOM 0 HA ALA A 470 10.395 6.247 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 470 8.236 6.228 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 470 9.570 6.774 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 470 8.431 7.959 1.124 1.00 0.00 H new ATOM 1001 N THR A 471 9.028 6.515 -2.467 1.00 0.00 N ATOM 1002 CA THR A 471 8.268 6.656 -3.702 1.00 0.00 C ATOM 1003 C THR A 471 6.807 6.982 -3.415 1.00 0.00 C ATOM 1004 O THR A 471 6.123 7.592 -4.236 1.00 0.00 O ATOM 1005 CB THR A 471 8.337 5.375 -4.555 1.00 0.00 C ATOM 1006 OG1 THR A 471 7.428 4.395 -4.042 1.00 0.00 O ATOM 1007 CG2 THR A 471 9.749 4.809 -4.566 1.00 0.00 C ATOM 0 H THR A 471 9.561 5.648 -2.397 1.00 0.00 H new ATOM 0 HA THR A 471 8.719 7.478 -4.257 1.00 0.00 H new ATOM 0 HB THR A 471 8.056 5.629 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 471 7.357 3.651 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 471 9.774 3.905 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 471 10.434 5.547 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 471 10.053 4.569 -3.547 1.00 0.00 H new ATOM 1015 N GLY A 472 6.334 6.573 -2.241 1.00 0.00 N ATOM 1016 CA GLY A 472 4.956 6.832 -1.866 1.00 0.00 C ATOM 1017 C GLY A 472 4.057 5.633 -2.096 1.00 0.00 C ATOM 1018 O GLY A 472 2.853 5.782 -2.301 1.00 0.00 O ATOM 0 H GLY A 472 6.880 6.067 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 472 4.916 7.116 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 472 4.580 7.679 -2.439 1.00 0.00 H new ATOM 1022 N GLU A 473 4.644 4.440 -2.063 1.00 0.00 N ATOM 1023 CA GLU A 473 3.888 3.211 -2.272 1.00 0.00 C ATOM 1024 C GLU A 473 4.155 2.211 -1.151 1.00 0.00 C ATOM 1025 O GLU A 473 5.304 1.944 -0.804 1.00 0.00 O ATOM 1026 CB GLU A 473 4.247 2.589 -3.623 1.00 0.00 C ATOM 1027 CG GLU A 473 4.052 3.531 -4.799 1.00 0.00 C ATOM 1028 CD GLU A 473 4.729 3.036 -6.062 1.00 0.00 C ATOM 1029 OE1 GLU A 473 4.934 1.810 -6.185 1.00 0.00 O ATOM 1030 OE2 GLU A 473 5.054 3.875 -6.928 1.00 0.00 O ATOM 0 H GLU A 473 5.640 4.299 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 473 2.827 3.461 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 473 5.287 2.263 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.637 1.699 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.986 3.655 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 473 4.446 4.514 -4.541 1.00 0.00 H new ATOM 1037 N GLY A 474 3.083 1.660 -0.589 1.00 0.00 N ATOM 1038 CA GLY A 474 3.221 0.696 0.486 1.00 0.00 C ATOM 1039 C GLY A 474 2.314 -0.505 0.309 1.00 0.00 C ATOM 1040 O GLY A 474 1.357 -0.460 -0.464 1.00 0.00 O ATOM 0 H GLY A 474 2.121 1.865 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 474 4.257 0.360 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 474 2.995 1.181 1.436 1.00 0.00 H new ATOM 1044 N PHE A 475 2.616 -1.583 1.025 1.00 0.00 N ATOM 1045 CA PHE A 475 1.822 -2.804 0.941 1.00 0.00 C ATOM 1046 C PHE A 475 1.714 -3.478 2.306 1.00 0.00 C ATOM 1047 O PHE A 475 2.689 -3.548 3.054 1.00 0.00 O ATOM 1048 CB PHE A 475 2.439 -3.771 -0.071 1.00 0.00 C ATOM 1049 CG PHE A 475 2.744 -3.136 -1.398 1.00 0.00 C ATOM 1050 CD1 PHE A 475 1.759 -3.016 -2.366 1.00 0.00 C ATOM 1051 CD2 PHE A 475 4.014 -2.659 -1.677 1.00 0.00 C ATOM 1052 CE1 PHE A 475 2.037 -2.433 -3.588 1.00 0.00 C ATOM 1053 CE2 PHE A 475 4.298 -2.075 -2.897 1.00 0.00 C ATOM 1054 CZ PHE A 475 3.308 -1.961 -3.853 1.00 0.00 C ATOM 0 H PHE A 475 3.405 -1.636 1.670 1.00 0.00 H new ATOM 0 HA PHE A 475 0.820 -2.533 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.358 -4.183 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 475 1.757 -4.607 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.763 -3.382 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.792 -2.744 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.262 -2.347 -4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 475 5.293 -1.708 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 475 3.527 -1.503 -4.806 1.00 0.00 H new ATOM 1064 N VAL A 476 0.522 -3.971 2.623 1.00 0.00 N ATOM 1065 CA VAL A 476 0.286 -4.641 3.897 1.00 0.00 C ATOM 1066 C VAL A 476 -0.548 -5.903 3.708 1.00 0.00 C ATOM 1067 O VAL A 476 -1.345 -5.998 2.775 1.00 0.00 O ATOM 1068 CB VAL A 476 -0.429 -3.711 4.895 1.00 0.00 C ATOM 1069 CG1 VAL A 476 -1.057 -4.518 6.021 1.00 0.00 C ATOM 1070 CG2 VAL A 476 0.540 -2.676 5.447 1.00 0.00 C ATOM 0 H VAL A 476 -0.296 -3.919 2.016 1.00 0.00 H new ATOM 0 HA VAL A 476 1.263 -4.911 4.299 1.00 0.00 H new ATOM 0 HB VAL A 476 -1.226 -3.185 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.558 -3.844 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.783 -5.217 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.281 -5.072 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 476 0.018 -2.027 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 476 1.359 -3.181 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 476 0.938 -2.077 4.628 1.00 0.00 H new ATOM 1080 N GLU A 477 -0.359 -6.869 4.601 1.00 0.00 N ATOM 1081 CA GLU A 477 -1.095 -8.127 4.532 1.00 0.00 C ATOM 1082 C GLU A 477 -1.674 -8.493 5.895 1.00 0.00 C ATOM 1083 O GLU A 477 -0.937 -8.727 6.853 1.00 0.00 O ATOM 1084 CB GLU A 477 -0.183 -9.250 4.035 1.00 0.00 C ATOM 1085 CG GLU A 477 -0.843 -10.618 4.042 1.00 0.00 C ATOM 1086 CD GLU A 477 -0.094 -11.632 3.199 1.00 0.00 C ATOM 1087 OE1 GLU A 477 -0.305 -11.654 1.969 1.00 0.00 O ATOM 1088 OE2 GLU A 477 0.704 -12.404 3.771 1.00 0.00 O ATOM 0 H GLU A 477 0.296 -6.805 5.380 1.00 0.00 H new ATOM 0 HA GLU A 477 -1.918 -7.999 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 477 0.144 -9.019 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 477 0.710 -9.284 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.907 -10.981 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.864 -10.526 3.672 1.00 0.00 H new ATOM 1095 N PHE A 478 -3.000 -8.541 5.975 1.00 0.00 N ATOM 1096 CA PHE A 478 -3.680 -8.877 7.220 1.00 0.00 C ATOM 1097 C PHE A 478 -3.835 -10.388 7.364 1.00 0.00 C ATOM 1098 O PHE A 478 -4.428 -11.046 6.509 1.00 0.00 O ATOM 1099 CB PHE A 478 -5.053 -8.204 7.274 1.00 0.00 C ATOM 1100 CG PHE A 478 -4.991 -6.707 7.174 1.00 0.00 C ATOM 1101 CD1 PHE A 478 -4.568 -5.944 8.250 1.00 0.00 C ATOM 1102 CD2 PHE A 478 -5.356 -6.062 6.003 1.00 0.00 C ATOM 1103 CE1 PHE A 478 -4.511 -4.566 8.160 1.00 0.00 C ATOM 1104 CE2 PHE A 478 -5.301 -4.684 5.907 1.00 0.00 C ATOM 1105 CZ PHE A 478 -4.877 -3.935 6.987 1.00 0.00 C ATOM 0 H PHE A 478 -3.625 -8.351 5.192 1.00 0.00 H new ATOM 0 HA PHE A 478 -3.072 -8.511 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 478 -5.670 -8.589 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 478 -5.547 -8.478 8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 478 -4.280 -6.431 9.170 1.00 0.00 H new ATOM 0 HD2 PHE A 478 -5.687 -6.643 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 478 -4.180 -3.983 9.007 1.00 0.00 H new ATOM 0 HE2 PHE A 478 -5.589 -4.194 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 478 -4.832 -2.858 6.915 1.00 0.00 H new ATOM 1115 N ARG A 479 -3.298 -10.931 8.451 1.00 0.00 N ATOM 1116 CA ARG A 479 -3.375 -12.364 8.707 1.00 0.00 C ATOM 1117 C ARG A 479 -4.796 -12.878 8.498 1.00 0.00 C ATOM 1118 O ARG A 479 -5.027 -13.789 7.704 1.00 0.00 O ATOM 1119 CB ARG A 479 -2.913 -12.675 10.132 1.00 0.00 C ATOM 1120 CG ARG A 479 -1.417 -12.919 10.248 1.00 0.00 C ATOM 1121 CD ARG A 479 -0.971 -12.963 11.701 1.00 0.00 C ATOM 1122 NE ARG A 479 -1.212 -11.695 12.386 1.00 0.00 N ATOM 1123 CZ ARG A 479 -0.696 -11.392 13.572 1.00 0.00 C ATOM 1124 NH1 ARG A 479 0.085 -12.259 14.201 1.00 0.00 N ATOM 1125 NH2 ARG A 479 -0.961 -10.218 14.131 1.00 0.00 N ATOM 0 H ARG A 479 -2.805 -10.400 9.169 1.00 0.00 H new ATOM 0 HA ARG A 479 -2.717 -12.870 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 479 -3.189 -11.846 10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 479 -3.445 -13.555 10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 479 -1.162 -13.859 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 479 -0.877 -12.130 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 479 -1.502 -13.762 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 479 0.091 -13.204 11.747 1.00 0.00 H new ATOM 0 HE ARG A 479 -1.809 -11.005 11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 479 0.292 -13.162 13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 479 0.479 -12.023 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 479 -1.561 -9.548 13.650 1.00 0.00 H new ATOM 0 HH22 ARG A 479 -0.565 -9.986 15.042 1.00 0.00 H new ATOM 1139 N ASN A 480 -5.745 -12.288 9.217 1.00 0.00 N ATOM 1140 CA ASN A 480 -7.144 -12.686 9.111 1.00 0.00 C ATOM 1141 C ASN A 480 -7.843 -11.928 7.987 1.00 0.00 C ATOM 1142 O ASN A 480 -7.306 -10.958 7.453 1.00 0.00 O ATOM 1143 CB ASN A 480 -7.868 -12.438 10.436 1.00 0.00 C ATOM 1144 CG ASN A 480 -7.114 -13.006 11.623 1.00 0.00 C ATOM 1145 OD1 ASN A 480 -7.241 -14.187 11.945 1.00 0.00 O ATOM 1146 ND2 ASN A 480 -6.324 -12.165 12.279 1.00 0.00 N ATOM 0 H ASN A 480 -5.571 -11.532 9.880 1.00 0.00 H new ATOM 0 HA ASN A 480 -7.176 -13.751 8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 480 -8.006 -11.366 10.576 1.00 0.00 H new ATOM 0 HB3 ASN A 480 -8.861 -12.884 10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 480 -5.791 -12.490 13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 480 -6.250 -11.194 11.976 1.00 0.00 H new ATOM 1153 N GLU A 481 -9.043 -12.377 7.634 1.00 0.00 N ATOM 1154 CA GLU A 481 -9.815 -11.740 6.573 1.00 0.00 C ATOM 1155 C GLU A 481 -10.782 -10.710 7.147 1.00 0.00 C ATOM 1156 O GLU A 481 -10.892 -9.595 6.639 1.00 0.00 O ATOM 1157 CB GLU A 481 -10.587 -12.791 5.772 1.00 0.00 C ATOM 1158 CG GLU A 481 -11.625 -12.200 4.834 1.00 0.00 C ATOM 1159 CD GLU A 481 -12.376 -13.260 4.052 1.00 0.00 C ATOM 1160 OE1 GLU A 481 -11.908 -13.633 2.957 1.00 0.00 O ATOM 1161 OE2 GLU A 481 -13.433 -13.716 4.537 1.00 0.00 O ATOM 0 H GLU A 481 -9.502 -13.179 8.067 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.118 -11.228 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.881 -13.384 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.081 -13.472 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -12.335 -11.608 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -11.135 -11.520 4.138 1.00 0.00 H new ATOM 1168 N ALA A 482 -11.483 -11.092 8.210 1.00 0.00 N ATOM 1169 CA ALA A 482 -12.440 -10.203 8.855 1.00 0.00 C ATOM 1170 C ALA A 482 -11.861 -8.802 9.022 1.00 0.00 C ATOM 1171 O ALA A 482 -12.537 -7.806 8.764 1.00 0.00 O ATOM 1172 CB ALA A 482 -12.860 -10.767 10.204 1.00 0.00 C ATOM 0 H ALA A 482 -11.405 -12.012 8.643 1.00 0.00 H new ATOM 0 HA ALA A 482 -13.319 -10.131 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 482 -13.575 -10.092 10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 482 -13.322 -11.744 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 482 -11.984 -10.870 10.844 1.00 0.00 H new ATOM 1178 N ASP A 483 -10.607 -8.733 9.455 1.00 0.00 N ATOM 1179 CA ASP A 483 -9.937 -7.453 9.657 1.00 0.00 C ATOM 1180 C ASP A 483 -9.516 -6.845 8.323 1.00 0.00 C ATOM 1181 O ASP A 483 -9.517 -5.624 8.158 1.00 0.00 O ATOM 1182 CB ASP A 483 -8.715 -7.630 10.559 1.00 0.00 C ATOM 1183 CG ASP A 483 -7.515 -8.172 9.809 1.00 0.00 C ATOM 1184 OD1 ASP A 483 -7.708 -9.019 8.912 1.00 0.00 O ATOM 1185 OD2 ASP A 483 -6.382 -7.747 10.118 1.00 0.00 O ATOM 0 H ASP A 483 -10.034 -9.548 9.673 1.00 0.00 H new ATOM 0 HA ASP A 483 -10.640 -6.774 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 483 -8.456 -6.671 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 483 -8.965 -8.307 11.376 1.00 0.00 H new ATOM 1190 N TYR A 484 -9.156 -7.702 7.374 1.00 0.00 N ATOM 1191 CA TYR A 484 -8.729 -7.249 6.056 1.00 0.00 C ATOM 1192 C TYR A 484 -9.805 -6.387 5.402 1.00 0.00 C ATOM 1193 O TYR A 484 -9.520 -5.310 4.878 1.00 0.00 O ATOM 1194 CB TYR A 484 -8.406 -8.447 5.162 1.00 0.00 C ATOM 1195 CG TYR A 484 -8.578 -8.165 3.686 1.00 0.00 C ATOM 1196 CD1 TYR A 484 -7.873 -7.140 3.067 1.00 0.00 C ATOM 1197 CD2 TYR A 484 -9.446 -8.925 2.910 1.00 0.00 C ATOM 1198 CE1 TYR A 484 -8.028 -6.879 1.720 1.00 0.00 C ATOM 1199 CE2 TYR A 484 -9.606 -8.671 1.562 1.00 0.00 C ATOM 1200 CZ TYR A 484 -8.895 -7.647 0.971 1.00 0.00 C ATOM 1201 OH TYR A 484 -9.052 -7.391 -0.372 1.00 0.00 O ATOM 0 H TYR A 484 -9.151 -8.715 7.493 1.00 0.00 H new ATOM 0 HA TYR A 484 -7.830 -6.645 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 484 -7.378 -8.760 5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 484 -9.049 -9.282 5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 484 -7.192 -6.537 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 484 -10.004 -9.727 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 484 -7.473 -6.077 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 484 -10.284 -9.271 0.973 1.00 0.00 H new ATOM 0 HH TYR A 484 -9.698 -8.023 -0.752 1.00 0.00 H new ATOM 1211 N LYS A 485 -11.042 -6.869 5.436 1.00 0.00 N ATOM 1212 CA LYS A 485 -12.163 -6.144 4.849 1.00 0.00 C ATOM 1213 C LYS A 485 -12.327 -4.775 5.501 1.00 0.00 C ATOM 1214 O LYS A 485 -12.575 -3.780 4.822 1.00 0.00 O ATOM 1215 CB LYS A 485 -13.454 -6.951 5.000 1.00 0.00 C ATOM 1216 CG LYS A 485 -13.349 -8.372 4.473 1.00 0.00 C ATOM 1217 CD LYS A 485 -14.707 -8.915 4.059 1.00 0.00 C ATOM 1218 CE LYS A 485 -15.016 -8.595 2.605 1.00 0.00 C ATOM 1219 NZ LYS A 485 -15.721 -7.291 2.462 1.00 0.00 N ATOM 0 H LYS A 485 -11.294 -7.760 5.864 1.00 0.00 H new ATOM 0 HA LYS A 485 -11.954 -5.999 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 485 -13.731 -6.983 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 485 -14.258 -6.436 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 485 -12.671 -8.395 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 485 -12.918 -9.015 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 485 -14.729 -9.995 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 485 -15.480 -8.490 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 485 -14.088 -8.571 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 485 -15.631 -9.389 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 -16.367 -7.333 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 -16.265 -7.094 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 -15.024 -6.534 2.312 1.00 0.00 H new ATOM 1233 N ALA A 486 -12.185 -4.734 6.822 1.00 0.00 N ATOM 1234 CA ALA A 486 -12.315 -3.486 7.565 1.00 0.00 C ATOM 1235 C ALA A 486 -11.369 -2.422 7.019 1.00 0.00 C ATOM 1236 O ALA A 486 -11.776 -1.290 6.761 1.00 0.00 O ATOM 1237 CB ALA A 486 -12.049 -3.723 9.044 1.00 0.00 C ATOM 0 H ALA A 486 -11.980 -5.550 7.399 1.00 0.00 H new ATOM 0 HA ALA A 486 -13.336 -3.124 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 486 -12.149 -2.783 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 486 -12.768 -4.445 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 486 -11.039 -4.111 9.174 1.00 0.00 H new ATOM 1243 N ALA A 487 -10.104 -2.793 6.847 1.00 0.00 N ATOM 1244 CA ALA A 487 -9.101 -1.870 6.331 1.00 0.00 C ATOM 1245 C ALA A 487 -9.671 -1.014 5.205 1.00 0.00 C ATOM 1246 O ALA A 487 -9.525 0.210 5.206 1.00 0.00 O ATOM 1247 CB ALA A 487 -7.878 -2.635 5.848 1.00 0.00 C ATOM 0 H ALA A 487 -9.750 -3.726 7.058 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.803 -1.206 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.137 -1.933 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.450 -3.198 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.169 -3.323 5.055 1.00 0.00 H new ATOM 1253 N LEU A 488 -10.319 -1.663 4.244 1.00 0.00 N ATOM 1254 CA LEU A 488 -10.910 -0.961 3.110 1.00 0.00 C ATOM 1255 C LEU A 488 -11.780 0.200 3.582 1.00 0.00 C ATOM 1256 O LEU A 488 -11.767 1.279 2.988 1.00 0.00 O ATOM 1257 CB LEU A 488 -11.743 -1.927 2.265 1.00 0.00 C ATOM 1258 CG LEU A 488 -10.962 -2.816 1.297 1.00 0.00 C ATOM 1259 CD1 LEU A 488 -9.955 -1.992 0.509 1.00 0.00 C ATOM 1260 CD2 LEU A 488 -10.262 -3.938 2.050 1.00 0.00 C ATOM 0 H LEU A 488 -10.449 -2.675 4.227 1.00 0.00 H new ATOM 0 HA LEU A 488 -10.100 -0.560 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 488 -12.312 -2.569 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 488 -12.465 -1.346 1.691 1.00 0.00 H new ATOM 0 HG LEU A 488 -11.666 -3.261 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 488 -9.409 -2.642 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 488 -10.479 -1.225 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 488 -9.255 -1.518 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 488 -9.711 -4.561 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 488 -9.570 -3.512 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -11.003 -4.546 2.569 1.00 0.00 H new ATOM 1272 N CYS A 489 -12.532 -0.029 4.653 1.00 0.00 N ATOM 1273 CA CYS A 489 -13.407 0.999 5.206 1.00 0.00 C ATOM 1274 C CYS A 489 -12.621 2.265 5.532 1.00 0.00 C ATOM 1275 O CYS A 489 -13.176 3.363 5.557 1.00 0.00 O ATOM 1276 CB CYS A 489 -14.107 0.480 6.463 1.00 0.00 C ATOM 1277 SG CYS A 489 -15.461 1.529 7.040 1.00 0.00 S ATOM 0 H CYS A 489 -12.554 -0.916 5.155 1.00 0.00 H new ATOM 0 HA CYS A 489 -14.159 1.244 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -14.495 -0.519 6.264 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -13.371 0.383 7.261 1.00 0.00 H new ATOM 0 HG CYS A 489 -15.991 1.006 8.106 1.00 0.00 H new ATOM 1283 N ARG A 490 -11.326 2.102 5.784 1.00 0.00 N ATOM 1284 CA ARG A 490 -10.464 3.231 6.112 1.00 0.00 C ATOM 1285 C ARG A 490 -9.861 3.840 4.850 1.00 0.00 C ATOM 1286 O ARG A 490 -8.642 3.966 4.729 1.00 0.00 O ATOM 1287 CB ARG A 490 -9.348 2.790 7.061 1.00 0.00 C ATOM 1288 CG ARG A 490 -9.853 2.072 8.302 1.00 0.00 C ATOM 1289 CD ARG A 490 -8.929 2.295 9.489 1.00 0.00 C ATOM 1290 NE ARG A 490 -9.097 3.623 10.072 1.00 0.00 N ATOM 1291 CZ ARG A 490 -10.133 3.969 10.827 1.00 0.00 C ATOM 1292 NH1 ARG A 490 -11.089 3.089 11.090 1.00 0.00 N ATOM 1293 NH2 ARG A 490 -10.215 5.198 11.321 1.00 0.00 N ATOM 0 H ARG A 490 -10.851 1.199 5.767 1.00 0.00 H new ATOM 0 HA ARG A 490 -11.073 3.989 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 490 -8.664 2.132 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 490 -8.775 3.665 7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 490 -10.854 2.427 8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 490 -9.934 1.004 8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 490 -9.126 1.538 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 490 -7.894 2.167 9.172 1.00 0.00 H new ATOM 0 HE ARG A 490 -8.379 4.324 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 490 -11.030 2.143 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 490 -11.884 3.357 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 490 -9.482 5.878 11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 490 -11.011 5.463 11.901 1.00 0.00 H new ATOM 1307 N HIS A 491 -10.723 4.216 3.910 1.00 0.00 N ATOM 1308 CA HIS A 491 -10.276 4.812 2.656 1.00 0.00 C ATOM 1309 C HIS A 491 -10.263 6.335 2.752 1.00 0.00 C ATOM 1310 O HIS A 491 -11.045 6.927 3.496 1.00 0.00 O ATOM 1311 CB HIS A 491 -11.180 4.369 1.505 1.00 0.00 C ATOM 1312 CG HIS A 491 -10.867 5.042 0.205 1.00 0.00 C ATOM 1313 ND1 HIS A 491 -9.580 5.248 -0.245 1.00 0.00 N ATOM 1314 CD2 HIS A 491 -11.683 5.556 -0.745 1.00 0.00 C ATOM 1315 CE1 HIS A 491 -9.618 5.861 -1.415 1.00 0.00 C ATOM 1316 NE2 HIS A 491 -10.882 6.059 -1.741 1.00 0.00 N ATOM 0 H HIS A 491 -11.735 4.118 3.993 1.00 0.00 H new ATOM 0 HA HIS A 491 -9.260 4.469 2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 491 -11.090 3.290 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 491 -12.218 4.573 1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 491 -12.763 5.568 -0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 491 -8.761 6.151 -2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 491 -11.210 6.512 -2.594 1.00 0.00 H new ATOM 1325 N LYS A 492 -9.370 6.963 1.995 1.00 0.00 N ATOM 1326 CA LYS A 492 -9.255 8.416 1.994 1.00 0.00 C ATOM 1327 C LYS A 492 -8.812 8.928 3.361 1.00 0.00 C ATOM 1328 O LYS A 492 -9.400 9.864 3.902 1.00 0.00 O ATOM 1329 CB LYS A 492 -10.591 9.054 1.606 1.00 0.00 C ATOM 1330 CG LYS A 492 -11.086 8.641 0.231 1.00 0.00 C ATOM 1331 CD LYS A 492 -10.426 9.456 -0.868 1.00 0.00 C ATOM 1332 CE LYS A 492 -11.301 9.531 -2.109 1.00 0.00 C ATOM 1333 NZ LYS A 492 -12.318 10.615 -2.007 1.00 0.00 N ATOM 0 H LYS A 492 -8.715 6.488 1.374 1.00 0.00 H new ATOM 0 HA LYS A 492 -8.500 8.695 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -11.342 8.785 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -10.488 10.139 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -10.881 7.582 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -12.167 8.768 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -10.223 10.463 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -9.465 9.010 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -10.675 9.702 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -11.803 8.575 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -12.894 10.633 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -12.932 10.439 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -11.839 11.531 -1.891 1.00 0.00 H new ATOM 1347 N GLN A 493 -7.772 8.310 3.911 1.00 0.00 N ATOM 1348 CA GLN A 493 -7.252 8.705 5.214 1.00 0.00 C ATOM 1349 C GLN A 493 -5.974 9.524 5.065 1.00 0.00 C ATOM 1350 O GLN A 493 -5.299 9.458 4.037 1.00 0.00 O ATOM 1351 CB GLN A 493 -6.982 7.470 6.075 1.00 0.00 C ATOM 1352 CG GLN A 493 -8.245 6.810 6.605 1.00 0.00 C ATOM 1353 CD GLN A 493 -9.152 7.785 7.330 1.00 0.00 C ATOM 1354 OE1 GLN A 493 -8.812 8.290 8.400 1.00 0.00 O ATOM 1355 NE2 GLN A 493 -10.315 8.055 6.749 1.00 0.00 N ATOM 0 H GLN A 493 -7.273 7.534 3.475 1.00 0.00 H new ATOM 0 HA GLN A 493 -8.004 9.324 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 493 -6.421 6.743 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 493 -6.350 7.755 6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 493 -8.791 6.360 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 493 -7.971 6.001 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 493 -10.556 7.614 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 493 -10.967 8.704 7.190 1.00 0.00 H new ATOM 1364 N TYR A 494 -5.647 10.295 6.096 1.00 0.00 N ATOM 1365 CA TYR A 494 -4.451 11.129 6.078 1.00 0.00 C ATOM 1366 C TYR A 494 -3.453 10.673 7.138 1.00 0.00 C ATOM 1367 O TYR A 494 -3.811 10.470 8.297 1.00 0.00 O ATOM 1368 CB TYR A 494 -4.822 12.595 6.308 1.00 0.00 C ATOM 1369 CG TYR A 494 -5.459 13.254 5.105 1.00 0.00 C ATOM 1370 CD1 TYR A 494 -6.675 12.807 4.605 1.00 0.00 C ATOM 1371 CD2 TYR A 494 -4.843 14.326 4.469 1.00 0.00 C ATOM 1372 CE1 TYR A 494 -7.259 13.406 3.506 1.00 0.00 C ATOM 1373 CE2 TYR A 494 -5.421 14.932 3.371 1.00 0.00 C ATOM 1374 CZ TYR A 494 -6.629 14.468 2.892 1.00 0.00 C ATOM 1375 OH TYR A 494 -7.208 15.068 1.798 1.00 0.00 O ATOM 0 H TYR A 494 -6.193 10.360 6.955 1.00 0.00 H new ATOM 0 HA TYR A 494 -3.984 11.029 5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 494 -5.508 12.659 7.153 1.00 0.00 H new ATOM 0 HB3 TYR A 494 -3.925 13.149 6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 494 -7.173 11.977 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 494 -3.897 14.691 4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 494 -8.204 13.044 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 494 -4.930 15.765 2.890 1.00 0.00 H new ATOM 0 HH TYR A 494 -6.637 15.800 1.486 1.00 0.00 H new ATOM 1385 N MET A 495 -2.198 10.515 6.730 1.00 0.00 N ATOM 1386 CA MET A 495 -1.146 10.085 7.644 1.00 0.00 C ATOM 1387 C MET A 495 -0.496 11.284 8.327 1.00 0.00 C ATOM 1388 O MET A 495 0.550 11.765 7.893 1.00 0.00 O ATOM 1389 CB MET A 495 -0.088 9.274 6.893 1.00 0.00 C ATOM 1390 CG MET A 495 0.680 8.308 7.781 1.00 0.00 C ATOM 1391 SD MET A 495 -0.273 6.833 8.190 1.00 0.00 S ATOM 1392 CE MET A 495 0.294 5.702 6.923 1.00 0.00 C ATOM 0 H MET A 495 -1.885 10.678 5.773 1.00 0.00 H new ATOM 0 HA MET A 495 -1.599 9.455 8.410 1.00 0.00 H new ATOM 0 HB2 MET A 495 -0.572 8.713 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 495 0.616 9.959 6.421 1.00 0.00 H new ATOM 0 HG2 MET A 495 1.601 8.013 7.279 1.00 0.00 H new ATOM 0 HG3 MET A 495 0.968 8.817 8.701 1.00 0.00 H new ATOM 0 HE1 MET A 495 0.254 4.681 7.302 1.00 0.00 H new ATOM 0 HE2 MET A 495 -0.346 5.788 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 495 1.320 5.947 6.649 1.00 0.00 H new ATOM 1402 N GLY A 496 -1.122 11.762 9.398 1.00 0.00 N ATOM 1403 CA GLY A 496 -0.590 12.901 10.122 1.00 0.00 C ATOM 1404 C GLY A 496 -0.790 14.206 9.378 1.00 0.00 C ATOM 1405 O GLY A 496 -1.689 14.981 9.703 1.00 0.00 O ATOM 0 H GLY A 496 -1.989 11.380 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -1.072 12.965 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 496 0.474 12.748 10.302 1.00 0.00 H new ATOM 1409 N ASN A 497 0.051 14.452 8.379 1.00 0.00 N ATOM 1410 CA ASN A 497 -0.037 15.674 7.588 1.00 0.00 C ATOM 1411 C ASN A 497 -0.118 15.354 6.099 1.00 0.00 C ATOM 1412 O ASN A 497 -0.323 16.243 5.273 1.00 0.00 O ATOM 1413 CB ASN A 497 1.171 16.572 7.863 1.00 0.00 C ATOM 1414 CG ASN A 497 1.611 16.521 9.314 1.00 0.00 C ATOM 1415 OD1 ASN A 497 2.401 15.661 9.704 1.00 0.00 O ATOM 1416 ND2 ASN A 497 1.100 17.444 10.120 1.00 0.00 N ATOM 0 H ASN A 497 0.802 13.821 8.098 1.00 0.00 H new ATOM 0 HA ASN A 497 -0.946 16.200 7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 497 2.000 16.267 7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 497 0.924 17.600 7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 497 1.359 17.460 11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 497 0.448 18.138 9.753 1.00 0.00 H new ATOM 1423 N ARG A 498 0.043 14.078 5.764 1.00 0.00 N ATOM 1424 CA ARG A 498 -0.011 13.640 4.374 1.00 0.00 C ATOM 1425 C ARG A 498 -1.318 12.906 4.086 1.00 0.00 C ATOM 1426 O ARG A 498 -2.137 12.700 4.982 1.00 0.00 O ATOM 1427 CB ARG A 498 1.178 12.732 4.056 1.00 0.00 C ATOM 1428 CG ARG A 498 2.482 13.485 3.853 1.00 0.00 C ATOM 1429 CD ARG A 498 2.610 14.003 2.429 1.00 0.00 C ATOM 1430 NE ARG A 498 3.767 14.879 2.267 1.00 0.00 N ATOM 1431 CZ ARG A 498 3.762 16.169 2.584 1.00 0.00 C ATOM 1432 NH1 ARG A 498 2.667 16.729 3.079 1.00 0.00 N ATOM 1433 NH2 ARG A 498 4.854 16.901 2.408 1.00 0.00 N ATOM 0 H ARG A 498 0.212 13.329 6.436 1.00 0.00 H new ATOM 0 HA ARG A 498 0.037 14.524 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 498 1.305 12.016 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 498 0.956 12.158 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 498 2.534 14.320 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 498 3.322 12.828 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 498 2.695 13.160 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 498 1.704 14.545 2.158 1.00 0.00 H new ATOM 0 HE ARG A 498 4.626 14.479 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 498 1.826 16.169 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 498 2.666 17.720 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 498 5.699 16.473 2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 498 4.849 17.891 2.652 1.00 0.00 H new ATOM 1447 N PHE A 499 -1.505 12.513 2.830 1.00 0.00 N ATOM 1448 CA PHE A 499 -2.712 11.803 2.424 1.00 0.00 C ATOM 1449 C PHE A 499 -2.363 10.529 1.660 1.00 0.00 C ATOM 1450 O PHE A 499 -1.569 10.556 0.719 1.00 0.00 O ATOM 1451 CB PHE A 499 -3.593 12.706 1.557 1.00 0.00 C ATOM 1452 CG PHE A 499 -4.744 11.984 0.917 1.00 0.00 C ATOM 1453 CD1 PHE A 499 -5.792 11.504 1.686 1.00 0.00 C ATOM 1454 CD2 PHE A 499 -4.778 11.785 -0.454 1.00 0.00 C ATOM 1455 CE1 PHE A 499 -6.853 10.840 1.101 1.00 0.00 C ATOM 1456 CE2 PHE A 499 -5.837 11.122 -1.045 1.00 0.00 C ATOM 1457 CZ PHE A 499 -6.875 10.648 -0.267 1.00 0.00 C ATOM 0 H PHE A 499 -0.837 12.674 2.077 1.00 0.00 H new ATOM 0 HA PHE A 499 -3.261 11.527 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 499 -3.981 13.519 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 499 -2.980 13.159 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 499 -5.779 11.651 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 499 -3.968 12.152 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 499 -7.664 10.472 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 499 -5.853 10.975 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 499 -7.702 10.128 -0.727 1.00 0.00 H new ATOM 1467 N ILE A 500 -2.960 9.417 2.072 1.00 0.00 N ATOM 1468 CA ILE A 500 -2.712 8.133 1.427 1.00 0.00 C ATOM 1469 C ILE A 500 -4.006 7.528 0.892 1.00 0.00 C ATOM 1470 O ILE A 500 -5.080 7.738 1.456 1.00 0.00 O ATOM 1471 CB ILE A 500 -2.054 7.134 2.396 1.00 0.00 C ATOM 1472 CG1 ILE A 500 -0.636 7.589 2.748 1.00 0.00 C ATOM 1473 CG2 ILE A 500 -2.033 5.740 1.787 1.00 0.00 C ATOM 1474 CD1 ILE A 500 -0.597 8.790 3.666 1.00 0.00 C ATOM 0 H ILE A 500 -3.619 9.378 2.850 1.00 0.00 H new ATOM 0 HA ILE A 500 -2.032 8.323 0.597 1.00 0.00 H new ATOM 0 HB ILE A 500 -2.642 7.100 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 500 -0.105 6.763 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 500 -0.101 7.827 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 500 -1.565 5.045 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 500 -3.054 5.417 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 500 -1.465 5.758 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 500 0.440 9.056 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 500 -1.099 9.631 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 500 -1.103 8.550 4.601 1.00 0.00 H new ATOM 1486 N GLN A 501 -3.894 6.776 -0.198 1.00 0.00 N ATOM 1487 CA GLN A 501 -5.055 6.139 -0.808 1.00 0.00 C ATOM 1488 C GLN A 501 -5.080 4.645 -0.503 1.00 0.00 C ATOM 1489 O GLN A 501 -4.039 3.989 -0.477 1.00 0.00 O ATOM 1490 CB GLN A 501 -5.050 6.363 -2.321 1.00 0.00 C ATOM 1491 CG GLN A 501 -5.783 7.623 -2.753 1.00 0.00 C ATOM 1492 CD GLN A 501 -6.106 7.632 -4.234 1.00 0.00 C ATOM 1493 OE1 GLN A 501 -6.025 6.603 -4.905 1.00 0.00 O ATOM 1494 NE2 GLN A 501 -6.473 8.798 -4.753 1.00 0.00 N ATOM 0 H GLN A 501 -3.012 6.593 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 501 -5.951 6.592 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -4.018 6.416 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -5.507 5.502 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -6.708 7.714 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -5.173 8.494 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -6.527 9.626 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -6.701 8.866 -5.745 1.00 0.00 H new ATOM 1503 N VAL A 502 -6.276 4.113 -0.274 1.00 0.00 N ATOM 1504 CA VAL A 502 -6.437 2.696 0.029 1.00 0.00 C ATOM 1505 C VAL A 502 -7.078 1.954 -1.139 1.00 0.00 C ATOM 1506 O VAL A 502 -8.129 2.354 -1.641 1.00 0.00 O ATOM 1507 CB VAL A 502 -7.295 2.485 1.290 1.00 0.00 C ATOM 1508 CG1 VAL A 502 -7.482 1.001 1.567 1.00 0.00 C ATOM 1509 CG2 VAL A 502 -6.665 3.183 2.486 1.00 0.00 C ATOM 0 H VAL A 502 -7.148 4.642 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 502 -5.439 2.295 0.207 1.00 0.00 H new ATOM 0 HB VAL A 502 -8.277 2.925 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 502 -8.091 0.872 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 502 -7.980 0.532 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 502 -6.509 0.534 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 502 -7.285 3.023 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 502 -5.670 2.775 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 502 -6.588 4.252 2.285 1.00 0.00 H new ATOM 1519 N HIS A 503 -6.439 0.870 -1.567 1.00 0.00 N ATOM 1520 CA HIS A 503 -6.947 0.071 -2.676 1.00 0.00 C ATOM 1521 C HIS A 503 -6.651 -1.410 -2.459 1.00 0.00 C ATOM 1522 O HIS A 503 -5.531 -1.802 -2.129 1.00 0.00 O ATOM 1523 CB HIS A 503 -6.330 0.538 -3.994 1.00 0.00 C ATOM 1524 CG HIS A 503 -6.917 1.816 -4.510 1.00 0.00 C ATOM 1525 ND1 HIS A 503 -8.235 1.937 -4.897 1.00 0.00 N ATOM 1526 CD2 HIS A 503 -6.357 3.033 -4.700 1.00 0.00 C ATOM 1527 CE1 HIS A 503 -8.460 3.173 -5.304 1.00 0.00 C ATOM 1528 NE2 HIS A 503 -7.336 3.859 -5.195 1.00 0.00 N ATOM 0 H HIS A 503 -5.569 0.525 -1.163 1.00 0.00 H new ATOM 0 HA HIS A 503 -8.028 0.205 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -5.257 0.670 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -6.462 -0.242 -4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -5.331 3.304 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.403 3.558 -5.665 1.00 0.00 H new ATOM 0 HE2 HIS A 503 -7.215 4.842 -5.439 1.00 0.00 H new ATOM 1537 N PRO A 504 -7.677 -2.254 -2.647 1.00 0.00 N ATOM 1538 CA PRO A 504 -7.551 -3.704 -2.476 1.00 0.00 C ATOM 1539 C PRO A 504 -6.698 -4.344 -3.566 1.00 0.00 C ATOM 1540 O PRO A 504 -6.822 -4.005 -4.744 1.00 0.00 O ATOM 1541 CB PRO A 504 -8.996 -4.199 -2.569 1.00 0.00 C ATOM 1542 CG PRO A 504 -9.700 -3.164 -3.377 1.00 0.00 C ATOM 1543 CD PRO A 504 -9.039 -1.856 -3.040 1.00 0.00 C ATOM 0 HA PRO A 504 -7.057 -3.962 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 504 -9.049 -5.178 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 504 -9.444 -4.302 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 504 -9.619 -3.379 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 504 -10.763 -3.138 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 504 -9.029 -1.179 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 504 -9.557 -1.341 -2.231 1.00 0.00 H new ATOM 1551 N ILE A 505 -5.833 -5.270 -3.167 1.00 0.00 N ATOM 1552 CA ILE A 505 -4.961 -5.958 -4.111 1.00 0.00 C ATOM 1553 C ILE A 505 -4.631 -7.367 -3.630 1.00 0.00 C ATOM 1554 O ILE A 505 -4.673 -7.651 -2.432 1.00 0.00 O ATOM 1555 CB ILE A 505 -3.649 -5.183 -4.333 1.00 0.00 C ATOM 1556 CG1 ILE A 505 -2.871 -5.780 -5.508 1.00 0.00 C ATOM 1557 CG2 ILE A 505 -2.804 -5.199 -3.068 1.00 0.00 C ATOM 1558 CD1 ILE A 505 -1.792 -4.865 -6.045 1.00 0.00 C ATOM 0 H ILE A 505 -5.717 -5.561 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 505 -5.503 -6.017 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 505 -3.892 -4.147 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 505 -2.416 -6.719 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 505 -3.568 -6.018 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 505 -1.880 -4.647 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 505 -3.359 -4.732 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 505 -2.567 -6.229 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 505 -1.282 -5.353 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 505 -2.243 -3.935 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 505 -1.073 -4.647 -5.255 1.00 0.00 H new ATOM 1570 N THR A 506 -4.301 -8.246 -4.570 1.00 0.00 N ATOM 1571 CA THR A 506 -3.963 -9.625 -4.243 1.00 0.00 C ATOM 1572 C THR A 506 -2.472 -9.774 -3.964 1.00 0.00 C ATOM 1573 O THR A 506 -1.651 -9.036 -4.508 1.00 0.00 O ATOM 1574 CB THR A 506 -4.360 -10.586 -5.379 1.00 0.00 C ATOM 1575 OG1 THR A 506 -3.681 -10.224 -6.587 1.00 0.00 O ATOM 1576 CG2 THR A 506 -5.863 -10.560 -5.610 1.00 0.00 C ATOM 0 H THR A 506 -4.261 -8.027 -5.565 1.00 0.00 H new ATOM 0 HA THR A 506 -4.525 -9.884 -3.346 1.00 0.00 H new ATOM 0 HB THR A 506 -4.070 -11.596 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 506 -3.938 -10.841 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 506 -6.119 -11.247 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 506 -6.377 -10.864 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 506 -6.172 -9.550 -5.881 1.00 0.00 H new ATOM 1584 N LYS A 507 -2.127 -10.735 -3.113 1.00 0.00 N ATOM 1585 CA LYS A 507 -0.734 -10.984 -2.763 1.00 0.00 C ATOM 1586 C LYS A 507 0.135 -11.068 -4.013 1.00 0.00 C ATOM 1587 O LYS A 507 1.184 -10.429 -4.097 1.00 0.00 O ATOM 1588 CB LYS A 507 -0.612 -12.279 -1.956 1.00 0.00 C ATOM 1589 CG LYS A 507 0.543 -12.275 -0.970 1.00 0.00 C ATOM 1590 CD LYS A 507 1.865 -12.570 -1.660 1.00 0.00 C ATOM 1591 CE LYS A 507 2.017 -14.053 -1.962 1.00 0.00 C ATOM 1592 NZ LYS A 507 2.087 -14.869 -0.718 1.00 0.00 N ATOM 0 H LYS A 507 -2.794 -11.354 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 507 -0.385 -10.150 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -1.542 -12.448 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -0.489 -13.116 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 507 0.598 -11.305 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 507 0.363 -13.018 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 507 1.928 -12.000 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 507 2.689 -12.240 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 507 1.176 -14.388 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 507 2.919 -14.213 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 2.961 -15.433 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 2.084 -14.240 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 1.265 -15.504 -0.673 1.00 0.00 H new ATOM 1606 N LYS A 508 -0.309 -11.859 -4.984 1.00 0.00 N ATOM 1607 CA LYS A 508 0.426 -12.025 -6.233 1.00 0.00 C ATOM 1608 C LYS A 508 0.720 -10.673 -6.875 1.00 0.00 C ATOM 1609 O LYS A 508 1.878 -10.315 -7.089 1.00 0.00 O ATOM 1610 CB LYS A 508 -0.369 -12.901 -7.204 1.00 0.00 C ATOM 1611 CG LYS A 508 0.499 -13.634 -8.212 1.00 0.00 C ATOM 1612 CD LYS A 508 -0.339 -14.297 -9.292 1.00 0.00 C ATOM 1613 CE LYS A 508 -0.844 -15.661 -8.846 1.00 0.00 C ATOM 1614 NZ LYS A 508 -1.496 -16.402 -9.961 1.00 0.00 N ATOM 0 H LYS A 508 -1.175 -12.396 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 508 1.374 -12.513 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -0.944 -13.631 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.085 -12.278 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 508 1.197 -12.933 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 508 1.096 -14.388 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -1.186 -13.658 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 508 0.255 -14.406 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -0.011 -16.248 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -1.554 -15.536 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -1.827 -17.326 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -2.306 -15.854 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -0.811 -16.544 -10.731 1.00 0.00 H new ATOM 1628 N GLY A 509 -0.336 -9.925 -7.179 1.00 0.00 N ATOM 1629 CA GLY A 509 -0.169 -8.621 -7.793 1.00 0.00 C ATOM 1630 C GLY A 509 0.624 -7.667 -6.921 1.00 0.00 C ATOM 1631 O GLY A 509 1.307 -6.777 -7.426 1.00 0.00 O ATOM 0 H GLY A 509 -1.304 -10.199 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 509 0.336 -8.736 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 509 -1.149 -8.191 -7.998 1.00 0.00 H new ATOM 1635 N MET A 510 0.531 -7.852 -5.608 1.00 0.00 N ATOM 1636 CA MET A 510 1.246 -7.001 -4.664 1.00 0.00 C ATOM 1637 C MET A 510 2.754 -7.114 -4.863 1.00 0.00 C ATOM 1638 O MET A 510 3.480 -6.124 -4.763 1.00 0.00 O ATOM 1639 CB MET A 510 0.880 -7.376 -3.227 1.00 0.00 C ATOM 1640 CG MET A 510 1.654 -6.594 -2.179 1.00 0.00 C ATOM 1641 SD MET A 510 1.499 -7.304 -0.528 1.00 0.00 S ATOM 1642 CE MET A 510 2.485 -8.789 -0.705 1.00 0.00 C ATOM 0 H MET A 510 -0.032 -8.583 -5.174 1.00 0.00 H new ATOM 0 HA MET A 510 0.950 -5.968 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 510 -0.187 -7.210 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 510 1.061 -8.441 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 510 2.707 -6.562 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 510 1.297 -5.564 -2.162 1.00 0.00 H new ATOM 0 HE1 MET A 510 2.739 -9.177 0.281 1.00 0.00 H new ATOM 0 HE2 MET A 510 1.917 -9.540 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 510 3.400 -8.556 -1.250 1.00 0.00 H new ATOM 1652 N LEU A 511 3.219 -8.326 -5.146 1.00 0.00 N ATOM 1653 CA LEU A 511 4.642 -8.569 -5.359 1.00 0.00 C ATOM 1654 C LEU A 511 5.071 -8.105 -6.747 1.00 0.00 C ATOM 1655 O LEU A 511 6.149 -7.537 -6.916 1.00 0.00 O ATOM 1656 CB LEU A 511 4.957 -10.055 -5.184 1.00 0.00 C ATOM 1657 CG LEU A 511 4.431 -10.707 -3.905 1.00 0.00 C ATOM 1658 CD1 LEU A 511 4.478 -12.223 -4.021 1.00 0.00 C ATOM 1659 CD2 LEU A 511 5.232 -10.237 -2.699 1.00 0.00 C ATOM 0 H LEU A 511 2.632 -9.155 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 511 5.199 -7.997 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.548 -10.595 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 511 6.039 -10.182 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 511 3.393 -10.406 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.100 -12.670 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.861 -12.543 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.507 -12.544 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.844 -10.711 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.280 -10.509 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.147 -9.154 -2.605 1.00 0.00 H new ATOM 1671 N GLU A 512 4.219 -8.351 -7.737 1.00 0.00 N ATOM 1672 CA GLU A 512 4.511 -7.958 -9.111 1.00 0.00 C ATOM 1673 C GLU A 512 5.197 -6.595 -9.152 1.00 0.00 C ATOM 1674 O GLU A 512 6.173 -6.400 -9.877 1.00 0.00 O ATOM 1675 CB GLU A 512 3.224 -7.919 -9.938 1.00 0.00 C ATOM 1676 CG GLU A 512 2.775 -9.285 -10.430 1.00 0.00 C ATOM 1677 CD GLU A 512 2.014 -9.212 -11.739 1.00 0.00 C ATOM 1678 OE1 GLU A 512 0.858 -8.740 -11.727 1.00 0.00 O ATOM 1679 OE2 GLU A 512 2.574 -9.627 -12.775 1.00 0.00 O ATOM 0 H GLU A 512 3.322 -8.820 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 512 5.187 -8.699 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 512 2.429 -7.479 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 512 3.373 -7.264 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 512 3.647 -9.926 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 512 2.144 -9.751 -9.673 1.00 0.00 H new ATOM 1686 N LYS A 513 4.679 -5.655 -8.370 1.00 0.00 N ATOM 1687 CA LYS A 513 5.240 -4.310 -8.315 1.00 0.00 C ATOM 1688 C LYS A 513 6.601 -4.316 -7.626 1.00 0.00 C ATOM 1689 O LYS A 513 7.606 -3.916 -8.214 1.00 0.00 O ATOM 1690 CB LYS A 513 4.287 -3.368 -7.576 1.00 0.00 C ATOM 1691 CG LYS A 513 3.053 -2.998 -8.381 1.00 0.00 C ATOM 1692 CD LYS A 513 2.180 -2.001 -7.636 1.00 0.00 C ATOM 1693 CE LYS A 513 1.011 -1.536 -8.491 1.00 0.00 C ATOM 1694 NZ LYS A 513 1.429 -0.523 -9.499 1.00 0.00 N ATOM 0 H LYS A 513 3.871 -5.799 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 513 5.371 -3.956 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 513 3.975 -3.838 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 513 4.823 -2.457 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 513 3.356 -2.574 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 513 2.476 -3.897 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.804 -2.458 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 513 2.780 -1.141 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 513 0.569 -2.393 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 513 0.238 -1.113 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 0.604 -0.232 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 1.827 0.306 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 2.148 -0.935 -10.127 1.00 0.00 H new ATOM 1708 N ILE A 514 6.626 -4.773 -6.379 1.00 0.00 N ATOM 1709 CA ILE A 514 7.864 -4.833 -5.612 1.00 0.00 C ATOM 1710 C ILE A 514 9.043 -5.215 -6.501 1.00 0.00 C ATOM 1711 O ILE A 514 10.177 -4.802 -6.258 1.00 0.00 O ATOM 1712 CB ILE A 514 7.761 -5.843 -4.454 1.00 0.00 C ATOM 1713 CG1 ILE A 514 6.638 -5.439 -3.495 1.00 0.00 C ATOM 1714 CG2 ILE A 514 9.087 -5.938 -3.714 1.00 0.00 C ATOM 1715 CD1 ILE A 514 6.270 -6.522 -2.506 1.00 0.00 C ATOM 0 H ILE A 514 5.803 -5.107 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 514 8.029 -3.837 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 514 7.526 -6.824 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 514 6.942 -4.547 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 514 5.754 -5.172 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 514 8.998 -6.656 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 514 9.865 -6.266 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 514 9.349 -4.960 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 514 5.468 -6.166 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 514 5.935 -7.408 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 514 7.141 -6.773 -1.901 1.00 0.00 H new ATOM 1727 N ASP A 515 8.767 -6.005 -7.533 1.00 0.00 N ATOM 1728 CA ASP A 515 9.804 -6.441 -8.461 1.00 0.00 C ATOM 1729 C ASP A 515 10.320 -5.269 -9.288 1.00 0.00 C ATOM 1730 O ASP A 515 11.529 -5.076 -9.422 1.00 0.00 O ATOM 1731 CB ASP A 515 9.264 -7.535 -9.384 1.00 0.00 C ATOM 1732 CG ASP A 515 10.349 -8.485 -9.852 1.00 0.00 C ATOM 1733 OD1 ASP A 515 11.471 -8.012 -10.130 1.00 0.00 O ATOM 1734 OD2 ASP A 515 10.076 -9.700 -9.942 1.00 0.00 O ATOM 0 H ASP A 515 7.834 -6.356 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 515 10.633 -6.844 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 515 8.492 -8.099 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 515 8.790 -7.074 -10.251 1.00 0.00 H new ATOM 1739 N MET A 516 9.397 -4.490 -9.842 1.00 0.00 N ATOM 1740 CA MET A 516 9.760 -3.336 -10.657 1.00 0.00 C ATOM 1741 C MET A 516 10.450 -2.269 -9.812 1.00 0.00 C ATOM 1742 O MET A 516 11.254 -1.486 -10.320 1.00 0.00 O ATOM 1743 CB MET A 516 8.518 -2.747 -11.327 1.00 0.00 C ATOM 1744 CG MET A 516 7.592 -2.023 -10.363 1.00 0.00 C ATOM 1745 SD MET A 516 6.640 -0.717 -11.162 1.00 0.00 S ATOM 1746 CE MET A 516 5.171 -1.618 -11.650 1.00 0.00 C ATOM 0 H MET A 516 8.393 -4.636 -9.742 1.00 0.00 H new ATOM 0 HA MET A 516 10.455 -3.671 -11.427 1.00 0.00 H new ATOM 0 HB2 MET A 516 8.831 -2.053 -12.107 1.00 0.00 H new ATOM 0 HB3 MET A 516 7.965 -3.549 -11.816 1.00 0.00 H new ATOM 0 HG2 MET A 516 6.908 -2.743 -9.913 1.00 0.00 H new ATOM 0 HG3 MET A 516 8.181 -1.594 -9.553 1.00 0.00 H new ATOM 0 HE1 MET A 516 4.939 -1.398 -12.692 1.00 0.00 H new ATOM 0 HE2 MET A 516 5.345 -2.688 -11.535 1.00 0.00 H new ATOM 0 HE3 MET A 516 4.334 -1.317 -11.020 1.00 0.00 H new ATOM 1756 N ILE A 517 10.132 -2.245 -8.522 1.00 0.00 N ATOM 1757 CA ILE A 517 10.722 -1.275 -7.608 1.00 0.00 C ATOM 1758 C ILE A 517 12.171 -1.630 -7.291 1.00 0.00 C ATOM 1759 O ILE A 517 13.031 -0.753 -7.204 1.00 0.00 O ATOM 1760 CB ILE A 517 9.927 -1.186 -6.292 1.00 0.00 C ATOM 1761 CG1 ILE A 517 8.474 -0.798 -6.574 1.00 0.00 C ATOM 1762 CG2 ILE A 517 10.576 -0.183 -5.349 1.00 0.00 C ATOM 1763 CD1 ILE A 517 7.505 -1.281 -5.518 1.00 0.00 C ATOM 0 H ILE A 517 9.469 -2.886 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 517 10.689 -0.308 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 517 9.935 -2.165 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 517 8.404 0.287 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 517 8.178 -1.206 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 517 10.003 -0.131 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 517 11.596 -0.499 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 517 10.595 0.800 -5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 517 6.494 -0.970 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 517 7.546 -2.368 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 517 7.775 -0.853 -4.553 1.00 0.00 H new ATOM 1775 N ARG A 518 12.435 -2.921 -7.121 1.00 0.00 N ATOM 1776 CA ARG A 518 13.780 -3.392 -6.814 1.00 0.00 C ATOM 1777 C ARG A 518 14.781 -2.893 -7.851 1.00 0.00 C ATOM 1778 O ARG A 518 15.775 -2.251 -7.512 1.00 0.00 O ATOM 1779 CB ARG A 518 13.807 -4.921 -6.757 1.00 0.00 C ATOM 1780 CG ARG A 518 13.119 -5.498 -5.531 1.00 0.00 C ATOM 1781 CD ARG A 518 12.842 -6.984 -5.695 1.00 0.00 C ATOM 1782 NE ARG A 518 11.885 -7.475 -4.706 1.00 0.00 N ATOM 1783 CZ ARG A 518 12.163 -7.598 -3.413 1.00 0.00 C ATOM 1784 NH1 ARG A 518 13.362 -7.267 -2.955 1.00 0.00 N ATOM 1785 NH2 ARG A 518 11.239 -8.052 -2.576 1.00 0.00 N ATOM 0 H ARG A 518 11.735 -3.660 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 518 14.064 -2.994 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 518 13.328 -5.318 -7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 518 14.843 -5.258 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 518 13.744 -5.338 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 518 12.182 -4.969 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 518 12.457 -7.172 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 518 13.776 -7.539 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 518 10.953 -7.738 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 518 14.074 -6.917 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 518 13.573 -7.362 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 518 10.315 -8.307 -2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 518 11.453 -8.146 -1.583 1.00 0.00 H new