USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 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= 0.153 K(o=0.23,f=-1.5) USER MOD Set 1.2: A 503 HIS : no HD1:sc= 0.0738 K(o=0.23,f=-1.3) USER MOD Set 2.1: A 431 CYS SG : rot 95:sc= -1.99 USER MOD Set 2.2: A 510 MET CE :methyl 149:sc= -0.313 (180deg=-1.17) USER MOD Single : A 433 TYR OH : rot 158:sc= -0.854 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 ASN : amide:sc= 0.691 K(o=0.69,f=-5.2!) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 HIS : no HD1:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 459 SER OG : rot -59:sc= 0.643 USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.044) USER MOD Single : A 469 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0585) USER MOD Single : A 471 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 480 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 484 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ -125:sc=-0.00428 (180deg=-0.898) USER MOD Single : A 489 CYS SG : rot 180:sc= 0 USER MOD Single : A 491 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-8.6!) USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.53) USER MOD Single : A 494 TYR OH : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 160:sc= -3.47! (180deg=-4.33!) USER MOD Single : A 497 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.19) USER MOD Single : A 506 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 507 LYS NZ :NH3+ 166:sc=-0.00996 (180deg=-0.175) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 LYS NZ :NH3+ 144:sc= 0.178 (180deg=-0.286) USER MOD Single : A 516 MET CE :methyl 155:sc= -1.53 (180deg=-2.87) USER MOD ----------------------------------------------------------------- ATOM 332 N GLY A 429 -4.594 -14.328 -0.917 1.00 0.00 N ATOM 333 CA GLY A 429 -4.337 -13.707 0.369 1.00 0.00 C ATOM 334 C GLY A 429 -5.022 -12.363 0.512 1.00 0.00 C ATOM 335 O GLY A 429 -5.858 -11.993 -0.313 1.00 0.00 O ATOM 0 HA2 GLY A 429 -4.677 -14.371 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 429 -3.262 -13.579 0.499 1.00 0.00 H new ATOM 339 N PHE A 430 -4.670 -11.629 1.563 1.00 0.00 N ATOM 340 CA PHE A 430 -5.260 -10.319 1.813 1.00 0.00 C ATOM 341 C PHE A 430 -4.182 -9.240 1.867 1.00 0.00 C ATOM 342 O PHE A 430 -3.468 -9.109 2.862 1.00 0.00 O ATOM 343 CB PHE A 430 -6.049 -10.333 3.124 1.00 0.00 C ATOM 344 CG PHE A 430 -7.009 -11.483 3.232 1.00 0.00 C ATOM 345 CD1 PHE A 430 -7.940 -11.723 2.234 1.00 0.00 C ATOM 346 CD2 PHE A 430 -6.981 -12.325 4.333 1.00 0.00 C ATOM 347 CE1 PHE A 430 -8.825 -12.780 2.332 1.00 0.00 C ATOM 348 CE2 PHE A 430 -7.864 -13.384 4.436 1.00 0.00 C ATOM 349 CZ PHE A 430 -8.786 -13.612 3.434 1.00 0.00 C ATOM 0 H PHE A 430 -3.979 -11.919 2.255 1.00 0.00 H new ATOM 0 HA PHE A 430 -5.939 -10.090 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -5.350 -10.374 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -6.602 -9.398 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -7.974 -11.077 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -6.261 -12.152 5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -9.546 -12.955 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -7.832 -14.032 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 430 -9.476 -14.440 3.512 1.00 0.00 H new ATOM 359 N CYS A 431 -4.071 -8.469 0.790 1.00 0.00 N ATOM 360 CA CYS A 431 -3.081 -7.402 0.713 1.00 0.00 C ATOM 361 C CYS A 431 -3.733 -6.083 0.312 1.00 0.00 C ATOM 362 O CYS A 431 -4.599 -6.047 -0.563 1.00 0.00 O ATOM 363 CB CYS A 431 -1.984 -7.767 -0.287 1.00 0.00 C ATOM 364 SG CYS A 431 -1.084 -9.281 0.124 1.00 0.00 S ATOM 0 H CYS A 431 -4.655 -8.564 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 431 -2.636 -7.281 1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 431 -2.431 -7.879 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 431 -1.275 -6.941 -0.350 1.00 0.00 H new ATOM 0 HG CYS A 431 -1.614 -10.286 -0.508 1.00 0.00 H new ATOM 370 N VAL A 432 -3.313 -5.000 0.959 1.00 0.00 N ATOM 371 CA VAL A 432 -3.857 -3.678 0.670 1.00 0.00 C ATOM 372 C VAL A 432 -2.787 -2.758 0.094 1.00 0.00 C ATOM 373 O VAL A 432 -1.685 -2.654 0.634 1.00 0.00 O ATOM 374 CB VAL A 432 -4.451 -3.028 1.934 1.00 0.00 C ATOM 375 CG1 VAL A 432 -5.843 -3.576 2.212 1.00 0.00 C ATOM 376 CG2 VAL A 432 -3.534 -3.247 3.127 1.00 0.00 C ATOM 0 H VAL A 432 -2.598 -5.012 1.686 1.00 0.00 H new ATOM 0 HA VAL A 432 -4.649 -3.815 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 432 -4.537 -1.955 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -6.247 -3.106 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -6.494 -3.362 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -5.786 -4.654 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -3.969 -2.781 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.414 -4.316 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -2.560 -2.801 2.924 1.00 0.00 H new ATOM 386 N TYR A 433 -3.119 -2.090 -1.006 1.00 0.00 N ATOM 387 CA TYR A 433 -2.186 -1.179 -1.658 1.00 0.00 C ATOM 388 C TYR A 433 -2.421 0.258 -1.204 1.00 0.00 C ATOM 389 O TYR A 433 -3.513 0.804 -1.370 1.00 0.00 O ATOM 390 CB TYR A 433 -2.325 -1.275 -3.178 1.00 0.00 C ATOM 391 CG TYR A 433 -1.390 -0.356 -3.931 1.00 0.00 C ATOM 392 CD1 TYR A 433 -0.186 0.054 -3.370 1.00 0.00 C ATOM 393 CD2 TYR A 433 -1.710 0.104 -5.202 1.00 0.00 C ATOM 394 CE1 TYR A 433 0.671 0.895 -4.053 1.00 0.00 C ATOM 395 CE2 TYR A 433 -0.859 0.944 -5.893 1.00 0.00 C ATOM 396 CZ TYR A 433 0.331 1.336 -5.315 1.00 0.00 C ATOM 397 OH TYR A 433 1.181 2.174 -6.000 1.00 0.00 O ATOM 0 H TYR A 433 -4.027 -2.163 -1.464 1.00 0.00 H new ATOM 0 HA TYR A 433 -1.175 -1.470 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 433 -2.137 -2.303 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 433 -3.353 -1.041 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 433 0.084 -0.291 -2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 433 -2.641 -0.201 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 433 1.602 1.205 -3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 433 -1.124 1.292 -6.881 1.00 0.00 H new ATOM 0 HH TYR A 433 0.994 2.116 -6.960 1.00 0.00 H new ATOM 407 N LEU A 434 -1.389 0.867 -0.630 1.00 0.00 N ATOM 408 CA LEU A 434 -1.480 2.242 -0.152 1.00 0.00 C ATOM 409 C LEU A 434 -0.657 3.179 -1.030 1.00 0.00 C ATOM 410 O LEU A 434 0.508 2.912 -1.321 1.00 0.00 O ATOM 411 CB LEU A 434 -1.002 2.331 1.298 1.00 0.00 C ATOM 412 CG LEU A 434 -1.903 1.673 2.344 1.00 0.00 C ATOM 413 CD1 LEU A 434 -1.124 1.394 3.620 1.00 0.00 C ATOM 414 CD2 LEU A 434 -3.110 2.552 2.636 1.00 0.00 C ATOM 0 H LEU A 434 -0.479 0.430 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 434 -2.524 2.550 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 434 -0.013 1.877 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 434 -0.887 3.383 1.557 1.00 0.00 H new ATOM 0 HG LEU A 434 -2.258 0.723 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 434 -1.781 0.926 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 434 -0.292 0.725 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 434 -0.740 2.331 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 434 -3.740 2.068 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 434 -2.774 3.517 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 434 -3.682 2.701 1.720 1.00 0.00 H new ATOM 426 N LYS A 435 -1.271 4.282 -1.447 1.00 0.00 N ATOM 427 CA LYS A 435 -0.596 5.262 -2.289 1.00 0.00 C ATOM 428 C LYS A 435 -0.727 6.664 -1.702 1.00 0.00 C ATOM 429 O LYS A 435 -1.833 7.154 -1.480 1.00 0.00 O ATOM 430 CB LYS A 435 -1.175 5.234 -3.705 1.00 0.00 C ATOM 431 CG LYS A 435 -0.802 3.989 -4.490 1.00 0.00 C ATOM 432 CD LYS A 435 -1.176 4.121 -5.957 1.00 0.00 C ATOM 433 CE LYS A 435 -2.680 4.025 -6.159 1.00 0.00 C ATOM 434 NZ LYS A 435 -3.043 3.966 -7.602 1.00 0.00 N ATOM 0 H LYS A 435 -2.236 4.519 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 435 0.462 5.001 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -2.261 5.304 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -0.828 6.113 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 435 0.270 3.810 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.307 3.123 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -0.816 5.076 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -0.680 3.339 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -3.058 3.137 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -3.164 4.886 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.077 3.901 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.704 4.825 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -2.602 3.131 -8.037 1.00 0.00 H new ATOM 448 N GLY A 436 0.411 7.306 -1.455 1.00 0.00 N ATOM 449 CA GLY A 436 0.401 8.646 -0.898 1.00 0.00 C ATOM 450 C GLY A 436 1.326 8.785 0.295 1.00 0.00 C ATOM 451 O GLY A 436 1.621 9.897 0.735 1.00 0.00 O ATOM 0 H GLY A 436 1.339 6.922 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 436 0.697 9.358 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -0.615 8.904 -0.598 1.00 0.00 H new ATOM 455 N LEU A 437 1.784 7.655 0.821 1.00 0.00 N ATOM 456 CA LEU A 437 2.680 7.655 1.972 1.00 0.00 C ATOM 457 C LEU A 437 3.698 8.786 1.870 1.00 0.00 C ATOM 458 O LEU A 437 4.074 9.220 0.781 1.00 0.00 O ATOM 459 CB LEU A 437 3.404 6.311 2.080 1.00 0.00 C ATOM 460 CG LEU A 437 2.559 5.131 2.561 1.00 0.00 C ATOM 461 CD1 LEU A 437 3.304 3.821 2.354 1.00 0.00 C ATOM 462 CD2 LEU A 437 2.183 5.306 4.025 1.00 0.00 C ATOM 0 H LEU A 437 1.550 6.727 0.469 1.00 0.00 H new ATOM 0 HA LEU A 437 2.079 7.811 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 437 3.815 6.063 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.248 6.429 2.760 1.00 0.00 H new ATOM 0 HG LEU A 437 1.643 5.102 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.687 2.993 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.523 3.690 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.237 3.840 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.582 4.457 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.089 5.362 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.609 6.225 4.146 1.00 0.00 H new ATOM 474 N PRO A 438 4.157 9.276 3.032 1.00 0.00 N ATOM 475 CA PRO A 438 5.139 10.362 3.100 1.00 0.00 C ATOM 476 C PRO A 438 6.521 9.924 2.626 1.00 0.00 C ATOM 477 O PRO A 438 6.772 8.735 2.426 1.00 0.00 O ATOM 478 CB PRO A 438 5.172 10.718 4.588 1.00 0.00 C ATOM 479 CG PRO A 438 4.741 9.473 5.284 1.00 0.00 C ATOM 480 CD PRO A 438 3.752 8.807 4.368 1.00 0.00 C ATOM 0 HA PRO A 438 4.868 11.197 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 438 6.171 11.021 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 438 4.503 11.549 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 438 5.592 8.821 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 438 4.287 9.702 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.801 7.721 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 438 2.728 9.097 4.603 1.00 0.00 H new ATOM 488 N PHE A 439 7.414 10.891 2.447 1.00 0.00 N ATOM 489 CA PHE A 439 8.771 10.605 1.995 1.00 0.00 C ATOM 490 C PHE A 439 9.567 9.891 3.084 1.00 0.00 C ATOM 491 O PHE A 439 10.300 8.942 2.809 1.00 0.00 O ATOM 492 CB PHE A 439 9.481 11.900 1.595 1.00 0.00 C ATOM 493 CG PHE A 439 8.948 12.509 0.330 1.00 0.00 C ATOM 494 CD1 PHE A 439 9.308 11.999 -0.907 1.00 0.00 C ATOM 495 CD2 PHE A 439 8.086 13.593 0.378 1.00 0.00 C ATOM 496 CE1 PHE A 439 8.819 12.558 -2.072 1.00 0.00 C ATOM 497 CE2 PHE A 439 7.593 14.157 -0.784 1.00 0.00 C ATOM 498 CZ PHE A 439 7.960 13.638 -2.011 1.00 0.00 C ATOM 0 H PHE A 439 7.223 11.880 2.608 1.00 0.00 H new ATOM 0 HA PHE A 439 8.708 9.950 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 439 9.385 12.623 2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 439 10.545 11.699 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 439 9.979 11.154 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 439 7.796 14.002 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 439 9.108 12.151 -3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 439 6.922 15.002 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 439 7.576 14.076 -2.920 1.00 0.00 H new ATOM 508 N GLU A 440 9.416 10.356 4.320 1.00 0.00 N ATOM 509 CA GLU A 440 10.122 9.762 5.450 1.00 0.00 C ATOM 510 C GLU A 440 9.238 8.751 6.173 1.00 0.00 C ATOM 511 O GLU A 440 9.400 8.512 7.370 1.00 0.00 O ATOM 512 CB GLU A 440 10.574 10.851 6.426 1.00 0.00 C ATOM 513 CG GLU A 440 11.894 11.500 6.045 1.00 0.00 C ATOM 514 CD GLU A 440 13.073 10.559 6.199 1.00 0.00 C ATOM 515 OE1 GLU A 440 13.244 9.996 7.300 1.00 0.00 O ATOM 516 OE2 GLU A 440 13.825 10.386 5.217 1.00 0.00 O ATOM 0 H GLU A 440 8.812 11.141 4.564 1.00 0.00 H new ATOM 0 HA GLU A 440 10.999 9.242 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 440 9.803 11.620 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 440 10.666 10.419 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 440 11.841 11.844 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 440 12.054 12.381 6.666 1.00 0.00 H new ATOM 523 N ALA A 441 8.302 8.159 5.438 1.00 0.00 N ATOM 524 CA ALA A 441 7.393 7.173 6.008 1.00 0.00 C ATOM 525 C ALA A 441 8.163 6.022 6.648 1.00 0.00 C ATOM 526 O ALA A 441 9.330 5.795 6.334 1.00 0.00 O ATOM 527 CB ALA A 441 6.447 6.647 4.939 1.00 0.00 C ATOM 0 H ALA A 441 8.154 8.346 4.446 1.00 0.00 H new ATOM 0 HA ALA A 441 6.808 7.662 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 441 5.774 5.911 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 441 5.865 7.473 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 441 7.024 6.179 4.141 1.00 0.00 H new ATOM 533 N GLU A 442 7.500 5.300 7.546 1.00 0.00 N ATOM 534 CA GLU A 442 8.124 4.174 8.231 1.00 0.00 C ATOM 535 C GLU A 442 7.093 3.099 8.561 1.00 0.00 C ATOM 536 O GLU A 442 5.900 3.380 8.667 1.00 0.00 O ATOM 537 CB GLU A 442 8.814 4.646 9.512 1.00 0.00 C ATOM 538 CG GLU A 442 10.120 5.383 9.265 1.00 0.00 C ATOM 539 CD GLU A 442 11.187 4.491 8.660 1.00 0.00 C ATOM 540 OE1 GLU A 442 11.194 3.281 8.967 1.00 0.00 O ATOM 541 OE2 GLU A 442 12.014 5.004 7.878 1.00 0.00 O ATOM 0 H GLU A 442 6.532 5.475 7.816 1.00 0.00 H new ATOM 0 HA GLU A 442 8.870 3.744 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 442 8.136 5.300 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 442 9.009 3.783 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 442 9.937 6.227 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 442 10.485 5.793 10.207 1.00 0.00 H new ATOM 548 N ASN A 443 7.563 1.866 8.724 1.00 0.00 N ATOM 549 CA ASN A 443 6.682 0.748 9.042 1.00 0.00 C ATOM 550 C ASN A 443 5.688 1.132 10.134 1.00 0.00 C ATOM 551 O ASN A 443 4.555 0.650 10.155 1.00 0.00 O ATOM 552 CB ASN A 443 7.502 -0.464 9.486 1.00 0.00 C ATOM 553 CG ASN A 443 8.699 -0.713 8.589 1.00 0.00 C ATOM 554 OD1 ASN A 443 9.489 0.194 8.324 1.00 0.00 O ATOM 555 ND2 ASN A 443 8.839 -1.946 8.117 1.00 0.00 N ATOM 0 H ASN A 443 8.548 1.616 8.641 1.00 0.00 H new ATOM 0 HA ASN A 443 6.124 0.490 8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 443 7.844 -0.312 10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 443 6.865 -1.348 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 443 9.626 -2.173 7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 443 8.160 -2.666 8.363 1.00 0.00 H new ATOM 562 N LYS A 444 6.119 2.003 11.039 1.00 0.00 N ATOM 563 CA LYS A 444 5.269 2.455 12.134 1.00 0.00 C ATOM 564 C LYS A 444 4.118 3.310 11.612 1.00 0.00 C ATOM 565 O LYS A 444 2.997 3.233 12.114 1.00 0.00 O ATOM 566 CB LYS A 444 6.090 3.251 13.150 1.00 0.00 C ATOM 567 CG LYS A 444 6.678 4.533 12.587 1.00 0.00 C ATOM 568 CD LYS A 444 7.730 5.119 13.514 1.00 0.00 C ATOM 569 CE LYS A 444 8.739 5.962 12.750 1.00 0.00 C ATOM 570 NZ LYS A 444 9.701 6.639 13.664 1.00 0.00 N ATOM 0 H LYS A 444 7.054 2.411 11.036 1.00 0.00 H new ATOM 0 HA LYS A 444 4.852 1.575 12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 444 5.458 3.496 14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 444 6.899 2.623 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 444 7.122 4.333 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.882 5.262 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 444 7.246 5.731 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 444 8.247 4.313 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 444 9.286 5.329 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 444 8.213 6.710 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 10.372 7.204 13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 9.182 7.262 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 10.222 5.924 14.211 1.00 0.00 H new ATOM 584 N HIS A 445 4.404 4.124 10.600 1.00 0.00 N ATOM 585 CA HIS A 445 3.392 4.992 10.009 1.00 0.00 C ATOM 586 C HIS A 445 2.290 4.170 9.346 1.00 0.00 C ATOM 587 O HIS A 445 1.104 4.444 9.525 1.00 0.00 O ATOM 588 CB HIS A 445 4.030 5.930 8.984 1.00 0.00 C ATOM 589 CG HIS A 445 4.694 7.125 9.597 1.00 0.00 C ATOM 590 ND1 HIS A 445 6.063 7.256 9.698 1.00 0.00 N ATOM 591 CD2 HIS A 445 4.168 8.247 10.141 1.00 0.00 C ATOM 592 CE1 HIS A 445 6.350 8.407 10.280 1.00 0.00 C ATOM 593 NE2 HIS A 445 5.218 9.028 10.558 1.00 0.00 N ATOM 0 H HIS A 445 5.327 4.200 10.173 1.00 0.00 H new ATOM 0 HA HIS A 445 2.948 5.586 10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 445 4.766 5.374 8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 445 3.263 6.268 8.287 1.00 0.00 H new ATOM 0 HD2 HIS A 445 3.118 8.484 10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 445 7.342 8.777 10.492 1.00 0.00 H new ATOM 0 HE2 HIS A 445 5.137 9.939 11.009 1.00 0.00 H new ATOM 602 N VAL A 446 2.691 3.161 8.580 1.00 0.00 N ATOM 603 CA VAL A 446 1.739 2.298 7.891 1.00 0.00 C ATOM 604 C VAL A 446 0.856 1.551 8.884 1.00 0.00 C ATOM 605 O VAL A 446 -0.346 1.395 8.666 1.00 0.00 O ATOM 606 CB VAL A 446 2.456 1.277 6.989 1.00 0.00 C ATOM 607 CG1 VAL A 446 1.446 0.391 6.277 1.00 0.00 C ATOM 608 CG2 VAL A 446 3.354 1.988 5.988 1.00 0.00 C ATOM 0 H VAL A 446 3.669 2.921 8.421 1.00 0.00 H new ATOM 0 HA VAL A 446 1.118 2.945 7.271 1.00 0.00 H new ATOM 0 HB VAL A 446 3.082 0.642 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 446 1.972 -0.324 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 446 0.850 -0.147 7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 446 0.791 1.008 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.853 1.251 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.752 2.649 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 446 4.102 2.574 6.522 1.00 0.00 H new ATOM 618 N ILE A 447 1.459 1.092 9.975 1.00 0.00 N ATOM 619 CA ILE A 447 0.727 0.363 11.003 1.00 0.00 C ATOM 620 C ILE A 447 -0.446 1.183 11.529 1.00 0.00 C ATOM 621 O ILE A 447 -1.598 0.753 11.460 1.00 0.00 O ATOM 622 CB ILE A 447 1.642 -0.019 12.182 1.00 0.00 C ATOM 623 CG1 ILE A 447 2.703 -1.024 11.728 1.00 0.00 C ATOM 624 CG2 ILE A 447 0.819 -0.590 13.327 1.00 0.00 C ATOM 625 CD1 ILE A 447 3.950 -1.013 12.584 1.00 0.00 C ATOM 0 H ILE A 447 2.453 1.212 10.170 1.00 0.00 H new ATOM 0 HA ILE A 447 0.350 -0.547 10.536 1.00 0.00 H new ATOM 0 HB ILE A 447 2.148 0.879 12.536 1.00 0.00 H new ATOM 0 HG12 ILE A 447 2.272 -2.025 11.740 1.00 0.00 H new ATOM 0 HG13 ILE A 447 2.979 -0.808 10.696 1.00 0.00 H new ATOM 0 HG21 ILE A 447 1.479 -0.855 14.153 1.00 0.00 H new ATOM 0 HG22 ILE A 447 0.098 0.155 13.664 1.00 0.00 H new ATOM 0 HG23 ILE A 447 0.289 -1.479 12.986 1.00 0.00 H new ATOM 0 HD11 ILE A 447 4.658 -1.749 12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 447 4.404 -0.023 12.552 1.00 0.00 H new ATOM 0 HD13 ILE A 447 3.687 -1.259 13.613 1.00 0.00 H new ATOM 637 N ASP A 448 -0.146 2.366 12.053 1.00 0.00 N ATOM 638 CA ASP A 448 -1.176 3.249 12.588 1.00 0.00 C ATOM 639 C ASP A 448 -2.319 3.417 11.592 1.00 0.00 C ATOM 640 O ASP A 448 -3.487 3.241 11.937 1.00 0.00 O ATOM 641 CB ASP A 448 -0.579 4.614 12.933 1.00 0.00 C ATOM 642 CG ASP A 448 -1.462 5.412 13.871 1.00 0.00 C ATOM 643 OD1 ASP A 448 -2.401 6.075 13.381 1.00 0.00 O ATOM 644 OD2 ASP A 448 -1.216 5.375 15.094 1.00 0.00 O ATOM 0 H ASP A 448 0.802 2.736 12.119 1.00 0.00 H new ATOM 0 HA ASP A 448 -1.573 2.795 13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.400 4.474 13.392 1.00 0.00 H new ATOM 0 HB3 ASP A 448 -0.423 5.181 12.015 1.00 0.00 H new ATOM 649 N PHE A 449 -1.974 3.760 10.355 1.00 0.00 N ATOM 650 CA PHE A 449 -2.971 3.954 9.309 1.00 0.00 C ATOM 651 C PHE A 449 -4.074 2.904 9.408 1.00 0.00 C ATOM 652 O PHE A 449 -5.260 3.223 9.312 1.00 0.00 O ATOM 653 CB PHE A 449 -2.313 3.889 7.929 1.00 0.00 C ATOM 654 CG PHE A 449 -3.239 4.260 6.806 1.00 0.00 C ATOM 655 CD1 PHE A 449 -3.418 5.586 6.448 1.00 0.00 C ATOM 656 CD2 PHE A 449 -3.928 3.282 6.108 1.00 0.00 C ATOM 657 CE1 PHE A 449 -4.270 5.930 5.415 1.00 0.00 C ATOM 658 CE2 PHE A 449 -4.781 3.620 5.073 1.00 0.00 C ATOM 659 CZ PHE A 449 -4.951 4.946 4.726 1.00 0.00 C ATOM 0 H PHE A 449 -1.011 3.909 10.053 1.00 0.00 H new ATOM 0 HA PHE A 449 -3.417 4.939 9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 449 -1.451 4.556 7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 449 -1.937 2.880 7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 449 -2.886 6.360 6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 449 -3.798 2.244 6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 449 -4.403 6.968 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 449 -5.313 2.848 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 449 -5.615 5.213 3.917 1.00 0.00 H new ATOM 669 N PHE A 450 -3.676 1.651 9.601 1.00 0.00 N ATOM 670 CA PHE A 450 -4.629 0.554 9.712 1.00 0.00 C ATOM 671 C PHE A 450 -4.664 0.005 11.135 1.00 0.00 C ATOM 672 O PHE A 450 -4.606 -1.206 11.348 1.00 0.00 O ATOM 673 CB PHE A 450 -4.269 -0.564 8.731 1.00 0.00 C ATOM 674 CG PHE A 450 -4.572 -0.226 7.299 1.00 0.00 C ATOM 675 CD1 PHE A 450 -5.829 0.226 6.931 1.00 0.00 C ATOM 676 CD2 PHE A 450 -3.600 -0.361 6.321 1.00 0.00 C ATOM 677 CE1 PHE A 450 -6.111 0.538 5.615 1.00 0.00 C ATOM 678 CE2 PHE A 450 -3.876 -0.050 5.003 1.00 0.00 C ATOM 679 CZ PHE A 450 -5.133 0.399 4.649 1.00 0.00 C ATOM 0 H PHE A 450 -2.699 1.370 9.684 1.00 0.00 H new ATOM 0 HA PHE A 450 -5.618 0.940 9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 450 -3.207 -0.791 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 450 -4.814 -1.467 9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 450 -6.597 0.336 7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 450 -2.616 -0.713 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 450 -7.095 0.890 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 450 -3.109 -0.158 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 450 -5.351 0.641 3.619 1.00 0.00 H new ATOM 689 N LYS A 451 -4.759 0.906 12.107 1.00 0.00 N ATOM 690 CA LYS A 451 -4.803 0.515 13.511 1.00 0.00 C ATOM 691 C LYS A 451 -5.922 -0.491 13.761 1.00 0.00 C ATOM 692 O LYS A 451 -6.716 -0.788 12.868 1.00 0.00 O ATOM 693 CB LYS A 451 -5.002 1.746 14.399 1.00 0.00 C ATOM 694 CG LYS A 451 -3.701 2.390 14.845 1.00 0.00 C ATOM 695 CD LYS A 451 -3.839 3.037 16.213 1.00 0.00 C ATOM 696 CE LYS A 451 -4.586 4.360 16.131 1.00 0.00 C ATOM 697 NZ LYS A 451 -4.778 4.973 17.474 1.00 0.00 N ATOM 0 H LYS A 451 -4.807 1.912 11.948 1.00 0.00 H new ATOM 0 HA LYS A 451 -3.852 0.044 13.761 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -5.595 2.483 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -5.577 1.459 15.280 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -2.913 1.637 14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -3.397 3.141 14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -4.367 2.361 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -2.850 3.202 16.640 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -4.034 5.050 15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -5.557 4.200 15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -5.291 5.872 17.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -5.327 4.326 18.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -3.851 5.149 17.911 1.00 0.00 H new ATOM 711 N LYS A 452 -5.980 -1.013 14.982 1.00 0.00 N ATOM 712 CA LYS A 452 -7.004 -1.984 15.352 1.00 0.00 C ATOM 713 C LYS A 452 -7.068 -3.120 14.336 1.00 0.00 C ATOM 714 O LYS A 452 -8.149 -3.606 14.001 1.00 0.00 O ATOM 715 CB LYS A 452 -8.369 -1.301 15.456 1.00 0.00 C ATOM 716 CG LYS A 452 -8.667 -0.744 16.838 1.00 0.00 C ATOM 717 CD LYS A 452 -9.084 -1.841 17.803 1.00 0.00 C ATOM 718 CE LYS A 452 -10.500 -2.320 17.524 1.00 0.00 C ATOM 719 NZ LYS A 452 -11.513 -1.518 18.265 1.00 0.00 N ATOM 0 H LYS A 452 -5.330 -0.780 15.732 1.00 0.00 H new ATOM 0 HA LYS A 452 -6.739 -2.403 16.323 1.00 0.00 H new ATOM 0 HB2 LYS A 452 -8.417 -0.490 14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 452 -9.146 -2.017 15.187 1.00 0.00 H new ATOM 0 HG2 LYS A 452 -7.784 -0.235 17.224 1.00 0.00 H new ATOM 0 HG3 LYS A 452 -9.460 0.001 16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 452 -8.393 -2.680 17.723 1.00 0.00 H new ATOM 0 HD3 LYS A 452 -9.019 -1.471 18.826 1.00 0.00 H new ATOM 0 HE2 LYS A 452 -10.700 -2.259 16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 452 -10.591 -3.369 17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 -12.465 -1.876 18.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 -11.338 -1.597 19.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 -11.444 -0.521 17.978 1.00 0.00 H new ATOM 733 N LEU A 453 -5.905 -3.539 13.850 1.00 0.00 N ATOM 734 CA LEU A 453 -5.829 -4.620 12.873 1.00 0.00 C ATOM 735 C LEU A 453 -4.555 -5.437 13.064 1.00 0.00 C ATOM 736 O LEU A 453 -3.623 -5.004 13.741 1.00 0.00 O ATOM 737 CB LEU A 453 -5.877 -4.054 11.453 1.00 0.00 C ATOM 738 CG LEU A 453 -7.165 -3.327 11.063 1.00 0.00 C ATOM 739 CD1 LEU A 453 -6.964 -2.537 9.779 1.00 0.00 C ATOM 740 CD2 LEU A 453 -8.311 -4.316 10.910 1.00 0.00 C ATOM 0 H LEU A 453 -5.002 -3.147 14.116 1.00 0.00 H new ATOM 0 HA LEU A 453 -6.686 -5.276 13.025 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.042 -3.364 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -5.719 -4.873 10.751 1.00 0.00 H new ATOM 0 HG LEU A 453 -7.420 -2.628 11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -7.891 -2.026 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -6.173 -1.801 9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -6.684 -3.216 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -9.219 -3.781 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -8.065 -5.040 10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -8.471 -4.836 11.854 1.00 0.00 H new ATOM 752 N ASP A 454 -4.523 -6.621 12.461 1.00 0.00 N ATOM 753 CA ASP A 454 -3.363 -7.499 12.562 1.00 0.00 C ATOM 754 C ASP A 454 -2.515 -7.427 11.295 1.00 0.00 C ATOM 755 O ASP A 454 -2.860 -8.020 10.272 1.00 0.00 O ATOM 756 CB ASP A 454 -3.807 -8.941 12.812 1.00 0.00 C ATOM 757 CG ASP A 454 -4.010 -9.237 14.285 1.00 0.00 C ATOM 758 OD1 ASP A 454 -4.743 -8.473 14.948 1.00 0.00 O ATOM 759 OD2 ASP A 454 -3.438 -10.233 14.774 1.00 0.00 O ATOM 0 H ASP A 454 -5.287 -6.994 11.897 1.00 0.00 H new ATOM 0 HA ASP A 454 -2.757 -7.163 13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 454 -4.736 -9.130 12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 454 -3.060 -9.624 12.407 1.00 0.00 H new ATOM 764 N ILE A 455 -1.408 -6.696 11.371 1.00 0.00 N ATOM 765 CA ILE A 455 -0.512 -6.547 10.231 1.00 0.00 C ATOM 766 C ILE A 455 0.847 -7.178 10.513 1.00 0.00 C ATOM 767 O ILE A 455 1.412 -7.003 11.593 1.00 0.00 O ATOM 768 CB ILE A 455 -0.312 -5.066 9.862 1.00 0.00 C ATOM 769 CG1 ILE A 455 -1.645 -4.433 9.457 1.00 0.00 C ATOM 770 CG2 ILE A 455 0.707 -4.932 8.740 1.00 0.00 C ATOM 771 CD1 ILE A 455 -1.622 -2.921 9.461 1.00 0.00 C ATOM 0 H ILE A 455 -1.110 -6.198 12.210 1.00 0.00 H new ATOM 0 HA ILE A 455 -0.981 -7.061 9.392 1.00 0.00 H new ATOM 0 HB ILE A 455 0.068 -4.538 10.736 1.00 0.00 H new ATOM 0 HG12 ILE A 455 -1.915 -4.781 8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 455 -2.423 -4.778 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 455 0.837 -3.879 8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 455 1.661 -5.349 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 455 0.354 -5.472 7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 455 -2.600 -2.541 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 455 -1.383 -2.563 10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 455 -0.867 -2.567 8.759 1.00 0.00 H new ATOM 783 N VAL A 456 1.368 -7.911 9.535 1.00 0.00 N ATOM 784 CA VAL A 456 2.663 -8.566 9.676 1.00 0.00 C ATOM 785 C VAL A 456 3.804 -7.583 9.441 1.00 0.00 C ATOM 786 O VAL A 456 4.160 -7.292 8.300 1.00 0.00 O ATOM 787 CB VAL A 456 2.806 -9.745 8.696 1.00 0.00 C ATOM 788 CG1 VAL A 456 3.935 -10.667 9.130 1.00 0.00 C ATOM 789 CG2 VAL A 456 1.495 -10.509 8.588 1.00 0.00 C ATOM 0 H VAL A 456 0.913 -8.066 8.635 1.00 0.00 H new ATOM 0 HA VAL A 456 2.717 -8.944 10.697 1.00 0.00 H new ATOM 0 HB VAL A 456 3.052 -9.348 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 456 4.021 -11.494 8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 456 4.872 -10.110 9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 456 3.723 -11.059 10.125 1.00 0.00 H new ATOM 0 HG21 VAL A 456 1.614 -11.339 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 456 1.217 -10.895 9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 456 0.713 -9.841 8.226 1.00 0.00 H new ATOM 799 N GLU A 457 4.374 -7.075 10.529 1.00 0.00 N ATOM 800 CA GLU A 457 5.476 -6.123 10.441 1.00 0.00 C ATOM 801 C GLU A 457 6.400 -6.469 9.276 1.00 0.00 C ATOM 802 O GLU A 457 6.986 -5.584 8.652 1.00 0.00 O ATOM 803 CB GLU A 457 6.270 -6.105 11.748 1.00 0.00 C ATOM 804 CG GLU A 457 5.707 -5.151 12.789 1.00 0.00 C ATOM 805 CD GLU A 457 6.355 -5.323 14.149 1.00 0.00 C ATOM 806 OE1 GLU A 457 7.597 -5.432 14.205 1.00 0.00 O ATOM 807 OE2 GLU A 457 5.619 -5.346 15.157 1.00 0.00 O ATOM 0 H GLU A 457 4.091 -7.306 11.481 1.00 0.00 H new ATOM 0 HA GLU A 457 5.055 -5.133 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.291 -7.112 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.302 -5.827 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.849 -4.125 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 457 4.633 -5.311 12.880 1.00 0.00 H new ATOM 814 N ASP A 458 6.526 -7.760 8.992 1.00 0.00 N ATOM 815 CA ASP A 458 7.379 -8.224 7.903 1.00 0.00 C ATOM 816 C ASP A 458 6.776 -7.862 6.549 1.00 0.00 C ATOM 817 O ASP A 458 7.443 -7.275 5.698 1.00 0.00 O ATOM 818 CB ASP A 458 7.585 -9.736 7.997 1.00 0.00 C ATOM 819 CG ASP A 458 7.815 -10.374 6.641 1.00 0.00 C ATOM 820 OD1 ASP A 458 6.820 -10.731 5.977 1.00 0.00 O ATOM 821 OD2 ASP A 458 8.991 -10.517 6.244 1.00 0.00 O ATOM 0 H ASP A 458 6.049 -8.504 9.500 1.00 0.00 H new ATOM 0 HA ASP A 458 8.345 -7.728 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.438 -9.944 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.712 -10.190 8.466 1.00 0.00 H new ATOM 826 N SER A 459 5.510 -8.219 6.357 1.00 0.00 N ATOM 827 CA SER A 459 4.818 -7.937 5.105 1.00 0.00 C ATOM 828 C SER A 459 4.926 -6.458 4.746 1.00 0.00 C ATOM 829 O SER A 459 5.335 -6.105 3.639 1.00 0.00 O ATOM 830 CB SER A 459 3.346 -8.342 5.208 1.00 0.00 C ATOM 831 OG SER A 459 2.616 -7.415 5.993 1.00 0.00 O ATOM 0 H SER A 459 4.943 -8.704 7.052 1.00 0.00 H new ATOM 0 HA SER A 459 5.293 -8.521 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.911 -8.401 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 459 3.269 -9.336 5.648 1.00 0.00 H new ATOM 0 HG SER A 459 3.005 -7.369 6.891 1.00 0.00 H new ATOM 837 N ILE A 460 4.556 -5.598 5.688 1.00 0.00 N ATOM 838 CA ILE A 460 4.612 -4.158 5.473 1.00 0.00 C ATOM 839 C ILE A 460 5.795 -3.780 4.587 1.00 0.00 C ATOM 840 O ILE A 460 6.935 -3.718 5.048 1.00 0.00 O ATOM 841 CB ILE A 460 4.719 -3.393 6.805 1.00 0.00 C ATOM 842 CG1 ILE A 460 3.603 -3.827 7.758 1.00 0.00 C ATOM 843 CG2 ILE A 460 4.659 -1.892 6.560 1.00 0.00 C ATOM 844 CD1 ILE A 460 3.452 -2.925 8.963 1.00 0.00 C ATOM 0 H ILE A 460 4.214 -5.874 6.608 1.00 0.00 H new ATOM 0 HA ILE A 460 3.683 -3.877 4.976 1.00 0.00 H new ATOM 0 HB ILE A 460 5.678 -3.628 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 460 2.660 -3.852 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 460 3.801 -4.843 8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 460 4.736 -1.365 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 460 5.485 -1.596 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 460 3.713 -1.639 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 460 2.643 -3.293 9.594 1.00 0.00 H new ATOM 0 HD12 ILE A 460 4.382 -2.919 9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 460 3.222 -1.912 8.633 1.00 0.00 H new ATOM 856 N TYR A 461 5.516 -3.528 3.313 1.00 0.00 N ATOM 857 CA TYR A 461 6.556 -3.156 2.362 1.00 0.00 C ATOM 858 C TYR A 461 6.362 -1.724 1.873 1.00 0.00 C ATOM 859 O TYR A 461 5.238 -1.291 1.617 1.00 0.00 O ATOM 860 CB TYR A 461 6.555 -4.117 1.172 1.00 0.00 C ATOM 861 CG TYR A 461 7.711 -3.905 0.220 1.00 0.00 C ATOM 862 CD1 TYR A 461 7.818 -2.737 -0.524 1.00 0.00 C ATOM 863 CD2 TYR A 461 8.697 -4.872 0.067 1.00 0.00 C ATOM 864 CE1 TYR A 461 8.872 -2.539 -1.395 1.00 0.00 C ATOM 865 CE2 TYR A 461 9.755 -4.682 -0.800 1.00 0.00 C ATOM 866 CZ TYR A 461 9.838 -3.514 -1.529 1.00 0.00 C ATOM 867 OH TYR A 461 10.890 -3.320 -2.395 1.00 0.00 O ATOM 0 H TYR A 461 4.578 -3.575 2.915 1.00 0.00 H new ATOM 0 HA TYR A 461 7.517 -3.219 2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 461 6.584 -5.141 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 461 5.619 -4.003 0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 461 7.064 -1.970 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 461 8.635 -5.788 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 461 8.939 -1.626 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 461 10.513 -5.444 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 461 11.482 -4.101 -2.371 1.00 0.00 H new ATOM 877 N ILE A 462 7.465 -0.995 1.746 1.00 0.00 N ATOM 878 CA ILE A 462 7.418 0.388 1.287 1.00 0.00 C ATOM 879 C ILE A 462 8.478 0.650 0.223 1.00 0.00 C ATOM 880 O ILE A 462 9.657 0.363 0.422 1.00 0.00 O ATOM 881 CB ILE A 462 7.621 1.375 2.452 1.00 0.00 C ATOM 882 CG1 ILE A 462 6.478 1.248 3.462 1.00 0.00 C ATOM 883 CG2 ILE A 462 7.715 2.800 1.928 1.00 0.00 C ATOM 884 CD1 ILE A 462 6.818 1.795 4.831 1.00 0.00 C ATOM 0 H ILE A 462 8.402 -1.339 1.954 1.00 0.00 H new ATOM 0 HA ILE A 462 6.429 0.545 0.857 1.00 0.00 H new ATOM 0 HB ILE A 462 8.556 1.131 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 462 5.604 1.773 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 462 6.203 0.198 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 462 7.858 3.486 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 462 8.559 2.881 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 462 6.795 3.056 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 462 5.962 1.672 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 462 7.673 1.254 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 462 7.064 2.854 4.749 1.00 0.00 H new ATOM 896 N ALA A 463 8.049 1.200 -0.909 1.00 0.00 N ATOM 897 CA ALA A 463 8.961 1.505 -2.004 1.00 0.00 C ATOM 898 C ALA A 463 9.665 2.839 -1.776 1.00 0.00 C ATOM 899 O ALA A 463 9.038 3.826 -1.392 1.00 0.00 O ATOM 900 CB ALA A 463 8.210 1.522 -3.327 1.00 0.00 C ATOM 0 H ALA A 463 7.075 1.443 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 463 9.721 0.724 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 463 8.903 1.751 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 463 7.759 0.545 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 463 7.429 2.282 -3.292 1.00 0.00 H new ATOM 906 N TYR A 464 10.972 2.860 -2.015 1.00 0.00 N ATOM 907 CA TYR A 464 11.762 4.072 -1.832 1.00 0.00 C ATOM 908 C TYR A 464 12.584 4.380 -3.081 1.00 0.00 C ATOM 909 O TYR A 464 13.245 3.502 -3.634 1.00 0.00 O ATOM 910 CB TYR A 464 12.687 3.926 -0.623 1.00 0.00 C ATOM 911 CG TYR A 464 11.950 3.703 0.679 1.00 0.00 C ATOM 912 CD1 TYR A 464 11.608 2.423 1.096 1.00 0.00 C ATOM 913 CD2 TYR A 464 11.598 4.773 1.492 1.00 0.00 C ATOM 914 CE1 TYR A 464 10.935 2.215 2.284 1.00 0.00 C ATOM 915 CE2 TYR A 464 10.926 4.574 2.683 1.00 0.00 C ATOM 916 CZ TYR A 464 10.596 3.293 3.074 1.00 0.00 C ATOM 917 OH TYR A 464 9.927 3.090 4.259 1.00 0.00 O ATOM 0 H TYR A 464 11.506 2.052 -2.336 1.00 0.00 H new ATOM 0 HA TYR A 464 11.075 4.900 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 464 13.366 3.091 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 464 13.300 4.823 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 464 11.873 1.576 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 464 11.854 5.777 1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 464 10.676 1.213 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 464 10.661 5.417 3.304 1.00 0.00 H new ATOM 0 HH TYR A 464 9.765 3.953 4.695 1.00 0.00 H new ATOM 927 N GLY A 465 12.537 5.634 -3.518 1.00 0.00 N ATOM 928 CA GLY A 465 13.281 6.037 -4.697 1.00 0.00 C ATOM 929 C GLY A 465 14.780 5.953 -4.493 1.00 0.00 C ATOM 930 O GLY A 465 15.263 5.577 -3.425 1.00 0.00 O ATOM 0 H GLY A 465 11.997 6.378 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 465 12.996 5.404 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 465 13.010 7.059 -4.962 1.00 0.00 H new ATOM 934 N PRO A 466 15.544 6.308 -5.537 1.00 0.00 N ATOM 935 CA PRO A 466 17.009 6.278 -5.492 1.00 0.00 C ATOM 936 C PRO A 466 17.583 7.357 -4.580 1.00 0.00 C ATOM 937 O PRO A 466 18.751 7.302 -4.197 1.00 0.00 O ATOM 938 CB PRO A 466 17.414 6.537 -6.946 1.00 0.00 C ATOM 939 CG PRO A 466 16.267 7.288 -7.530 1.00 0.00 C ATOM 940 CD PRO A 466 15.036 6.767 -6.841 1.00 0.00 C ATOM 0 HA PRO A 466 17.385 5.337 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 466 18.336 7.115 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 466 17.589 5.603 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 466 16.380 8.360 -7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 466 16.207 7.132 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 466 14.280 7.544 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 466 14.575 5.954 -7.402 1.00 0.00 H new ATOM 948 N ASN A 467 16.754 8.337 -4.235 1.00 0.00 N ATOM 949 CA ASN A 467 17.181 9.429 -3.367 1.00 0.00 C ATOM 950 C ASN A 467 16.944 9.082 -1.901 1.00 0.00 C ATOM 951 O ASN A 467 16.781 9.966 -1.061 1.00 0.00 O ATOM 952 CB ASN A 467 16.433 10.715 -3.726 1.00 0.00 C ATOM 953 CG ASN A 467 16.232 10.869 -5.221 1.00 0.00 C ATOM 954 OD1 ASN A 467 15.192 10.491 -5.761 1.00 0.00 O ATOM 955 ND2 ASN A 467 17.230 11.426 -5.897 1.00 0.00 N ATOM 0 H ASN A 467 15.783 8.397 -4.543 1.00 0.00 H new ATOM 0 HA ASN A 467 18.249 9.584 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 467 15.463 10.718 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 467 16.988 11.573 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 467 17.153 11.556 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 467 18.074 11.724 -5.407 1.00 0.00 H new ATOM 962 N GLY A 468 16.928 7.787 -1.599 1.00 0.00 N ATOM 963 CA GLY A 468 16.711 7.345 -0.234 1.00 0.00 C ATOM 964 C GLY A 468 15.413 7.869 0.346 1.00 0.00 C ATOM 965 O GLY A 468 15.277 8.007 1.562 1.00 0.00 O ATOM 0 H GLY A 468 17.062 7.036 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 468 16.704 6.255 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 468 17.543 7.675 0.388 1.00 0.00 H new ATOM 969 N LYS A 469 14.454 8.165 -0.526 1.00 0.00 N ATOM 970 CA LYS A 469 13.159 8.678 -0.095 1.00 0.00 C ATOM 971 C LYS A 469 12.043 7.699 -0.444 1.00 0.00 C ATOM 972 O LYS A 469 12.225 6.804 -1.269 1.00 0.00 O ATOM 973 CB LYS A 469 12.883 10.036 -0.745 1.00 0.00 C ATOM 974 CG LYS A 469 13.389 11.214 0.070 1.00 0.00 C ATOM 975 CD LYS A 469 12.687 12.504 -0.320 1.00 0.00 C ATOM 976 CE LYS A 469 12.669 13.499 0.830 1.00 0.00 C ATOM 977 NZ LYS A 469 14.044 13.825 1.302 1.00 0.00 N ATOM 0 H LYS A 469 14.550 8.058 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 469 13.186 8.800 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 469 13.349 10.059 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 469 11.809 10.145 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 469 13.231 11.019 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 469 14.463 11.325 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 469 13.190 12.948 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 469 11.665 12.284 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 469 12.168 14.413 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 469 12.089 13.089 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 14.003 14.625 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 14.451 12.998 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 14.639 14.080 0.488 1.00 0.00 H new ATOM 991 N ALA A 470 10.887 7.877 0.188 1.00 0.00 N ATOM 992 CA ALA A 470 9.740 7.012 -0.059 1.00 0.00 C ATOM 993 C ALA A 470 8.920 7.512 -1.243 1.00 0.00 C ATOM 994 O ALA A 470 8.326 8.590 -1.189 1.00 0.00 O ATOM 995 CB ALA A 470 8.871 6.919 1.186 1.00 0.00 C ATOM 0 H ALA A 470 10.720 8.613 0.875 1.00 0.00 H new ATOM 0 HA ALA A 470 10.113 6.017 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 470 8.018 6.270 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 470 9.456 6.507 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 470 8.515 7.913 1.456 1.00 0.00 H new ATOM 1001 N THR A 471 8.891 6.724 -2.313 1.00 0.00 N ATOM 1002 CA THR A 471 8.144 7.088 -3.511 1.00 0.00 C ATOM 1003 C THR A 471 6.691 7.406 -3.178 1.00 0.00 C ATOM 1004 O THR A 471 6.082 8.284 -3.787 1.00 0.00 O ATOM 1005 CB THR A 471 8.184 5.962 -4.562 1.00 0.00 C ATOM 1006 OG1 THR A 471 7.262 4.927 -4.205 1.00 0.00 O ATOM 1007 CG2 THR A 471 9.586 5.382 -4.680 1.00 0.00 C ATOM 0 H THR A 471 9.376 5.829 -2.375 1.00 0.00 H new ATOM 0 HA THR A 471 8.622 7.977 -3.923 1.00 0.00 H new ATOM 0 HB THR A 471 7.900 6.384 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 471 7.292 4.216 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 471 9.590 4.589 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 471 10.280 6.167 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 471 9.893 4.974 -3.717 1.00 0.00 H new ATOM 1015 N GLY A 472 6.140 6.685 -2.205 1.00 0.00 N ATOM 1016 CA GLY A 472 4.762 6.906 -1.808 1.00 0.00 C ATOM 1017 C GLY A 472 3.878 5.708 -2.091 1.00 0.00 C ATOM 1018 O GLY A 472 2.663 5.844 -2.228 1.00 0.00 O ATOM 0 H GLY A 472 6.624 5.952 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 472 4.726 7.136 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 472 4.370 7.776 -2.336 1.00 0.00 H new ATOM 1022 N GLU A 473 4.489 4.531 -2.182 1.00 0.00 N ATOM 1023 CA GLU A 473 3.749 3.305 -2.454 1.00 0.00 C ATOM 1024 C GLU A 473 4.084 2.227 -1.427 1.00 0.00 C ATOM 1025 O GLU A 473 5.224 1.773 -1.338 1.00 0.00 O ATOM 1026 CB GLU A 473 4.060 2.796 -3.863 1.00 0.00 C ATOM 1027 CG GLU A 473 3.768 3.812 -4.955 1.00 0.00 C ATOM 1028 CD GLU A 473 4.424 3.455 -6.275 1.00 0.00 C ATOM 1029 OE1 GLU A 473 4.686 2.255 -6.502 1.00 0.00 O ATOM 1030 OE2 GLU A 473 4.675 4.376 -7.080 1.00 0.00 O ATOM 0 H GLU A 473 5.495 4.401 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 473 2.685 3.531 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 473 5.111 2.512 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.477 1.895 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.690 3.887 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 473 4.116 4.794 -4.635 1.00 0.00 H new ATOM 1037 N GLY A 474 3.082 1.823 -0.653 1.00 0.00 N ATOM 1038 CA GLY A 474 3.290 0.803 0.359 1.00 0.00 C ATOM 1039 C GLY A 474 2.314 -0.349 0.230 1.00 0.00 C ATOM 1040 O GLY A 474 1.304 -0.241 -0.466 1.00 0.00 O ATOM 0 H GLY A 474 2.129 2.184 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 474 4.309 0.422 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 474 3.190 1.251 1.348 1.00 0.00 H new ATOM 1044 N PHE A 475 2.615 -1.456 0.901 1.00 0.00 N ATOM 1045 CA PHE A 475 1.757 -2.634 0.856 1.00 0.00 C ATOM 1046 C PHE A 475 1.682 -3.304 2.225 1.00 0.00 C ATOM 1047 O PHE A 475 2.684 -3.413 2.931 1.00 0.00 O ATOM 1048 CB PHE A 475 2.276 -3.630 -0.184 1.00 0.00 C ATOM 1049 CG PHE A 475 2.575 -3.004 -1.516 1.00 0.00 C ATOM 1050 CD1 PHE A 475 1.584 -2.882 -2.477 1.00 0.00 C ATOM 1051 CD2 PHE A 475 3.847 -2.538 -1.808 1.00 0.00 C ATOM 1052 CE1 PHE A 475 1.857 -2.307 -3.704 1.00 0.00 C ATOM 1053 CE2 PHE A 475 4.125 -1.962 -3.033 1.00 0.00 C ATOM 1054 CZ PHE A 475 3.128 -1.845 -3.982 1.00 0.00 C ATOM 0 H PHE A 475 3.447 -1.562 1.482 1.00 0.00 H new ATOM 0 HA PHE A 475 0.755 -2.312 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.181 -4.103 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 475 1.537 -4.419 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 475 0.587 -3.240 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 475 4.630 -2.626 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.076 -2.219 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 475 5.121 -1.604 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 475 3.342 -1.393 -4.939 1.00 0.00 H new ATOM 1064 N VAL A 476 0.485 -3.752 2.593 1.00 0.00 N ATOM 1065 CA VAL A 476 0.277 -4.411 3.876 1.00 0.00 C ATOM 1066 C VAL A 476 -0.595 -5.652 3.721 1.00 0.00 C ATOM 1067 O VAL A 476 -1.633 -5.615 3.061 1.00 0.00 O ATOM 1068 CB VAL A 476 -0.378 -3.461 4.896 1.00 0.00 C ATOM 1069 CG1 VAL A 476 -0.970 -4.248 6.055 1.00 0.00 C ATOM 1070 CG2 VAL A 476 0.631 -2.438 5.396 1.00 0.00 C ATOM 0 H VAL A 476 -0.355 -3.670 2.020 1.00 0.00 H new ATOM 0 HA VAL A 476 1.260 -4.704 4.244 1.00 0.00 H new ATOM 0 HB VAL A 476 -1.188 -2.926 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.428 -3.560 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.726 -4.937 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.181 -4.811 6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 476 0.151 -1.775 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 476 1.464 -2.953 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 476 1.003 -1.852 4.555 1.00 0.00 H new ATOM 1080 N GLU A 477 -0.165 -6.751 4.334 1.00 0.00 N ATOM 1081 CA GLU A 477 -0.907 -8.004 4.264 1.00 0.00 C ATOM 1082 C GLU A 477 -1.452 -8.392 5.635 1.00 0.00 C ATOM 1083 O GLU A 477 -0.692 -8.626 6.574 1.00 0.00 O ATOM 1084 CB GLU A 477 -0.014 -9.122 3.723 1.00 0.00 C ATOM 1085 CG GLU A 477 -0.625 -10.507 3.854 1.00 0.00 C ATOM 1086 CD GLU A 477 0.299 -11.602 3.357 1.00 0.00 C ATOM 1087 OE1 GLU A 477 1.495 -11.577 3.717 1.00 0.00 O ATOM 1088 OE2 GLU A 477 -0.173 -12.483 2.609 1.00 0.00 O ATOM 0 H GLU A 477 0.693 -6.799 4.884 1.00 0.00 H new ATOM 0 HA GLU A 477 -1.748 -7.860 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 477 0.201 -8.927 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 477 0.939 -9.103 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.873 -10.693 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.559 -10.543 3.293 1.00 0.00 H new ATOM 1095 N PHE A 478 -2.775 -8.456 5.743 1.00 0.00 N ATOM 1096 CA PHE A 478 -3.424 -8.814 6.999 1.00 0.00 C ATOM 1097 C PHE A 478 -3.554 -10.328 7.132 1.00 0.00 C ATOM 1098 O PHE A 478 -3.880 -11.021 6.168 1.00 0.00 O ATOM 1099 CB PHE A 478 -4.805 -8.161 7.089 1.00 0.00 C ATOM 1100 CG PHE A 478 -4.769 -6.664 6.977 1.00 0.00 C ATOM 1101 CD1 PHE A 478 -4.333 -5.887 8.038 1.00 0.00 C ATOM 1102 CD2 PHE A 478 -5.171 -6.033 5.810 1.00 0.00 C ATOM 1103 CE1 PHE A 478 -4.300 -4.509 7.937 1.00 0.00 C ATOM 1104 CE2 PHE A 478 -5.139 -4.656 5.704 1.00 0.00 C ATOM 1105 CZ PHE A 478 -4.702 -3.893 6.769 1.00 0.00 C ATOM 0 H PHE A 478 -3.419 -8.265 4.976 1.00 0.00 H new ATOM 0 HA PHE A 478 -2.803 -8.448 7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 478 -5.439 -8.561 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 478 -5.267 -8.435 8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 478 -4.015 -6.363 8.954 1.00 0.00 H new ATOM 0 HD2 PHE A 478 -5.513 -6.625 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 478 -3.960 -3.914 8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 478 -5.455 -4.177 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 478 -4.675 -2.816 6.688 1.00 0.00 H new ATOM 1115 N ARG A 479 -3.298 -10.835 8.334 1.00 0.00 N ATOM 1116 CA ARG A 479 -3.385 -12.267 8.594 1.00 0.00 C ATOM 1117 C ARG A 479 -4.817 -12.765 8.420 1.00 0.00 C ATOM 1118 O ARG A 479 -5.133 -13.448 7.447 1.00 0.00 O ATOM 1119 CB ARG A 479 -2.893 -12.581 10.008 1.00 0.00 C ATOM 1120 CG ARG A 479 -1.385 -12.746 10.105 1.00 0.00 C ATOM 1121 CD ARG A 479 -0.918 -12.761 11.552 1.00 0.00 C ATOM 1122 NE ARG A 479 0.334 -13.495 11.716 1.00 0.00 N ATOM 1123 CZ ARG A 479 1.042 -13.499 12.839 1.00 0.00 C ATOM 1124 NH1 ARG A 479 0.624 -12.811 13.893 1.00 0.00 N ATOM 1125 NH2 ARG A 479 2.172 -14.192 12.911 1.00 0.00 N ATOM 0 H ARG A 479 -3.029 -10.275 9.143 1.00 0.00 H new ATOM 0 HA ARG A 479 -2.749 -12.781 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 479 -3.206 -11.781 10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 479 -3.373 -13.495 10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 479 -1.087 -13.673 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 479 -0.894 -11.932 9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 479 -0.786 -11.737 11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 479 -1.688 -13.214 12.177 1.00 0.00 H new ATOM 0 HE ARG A 479 0.684 -14.034 10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 479 -0.244 -12.277 13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 479 1.170 -12.816 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 479 2.497 -14.722 12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 479 2.715 -14.194 13.775 1.00 0.00 H new ATOM 1139 N ASN A 480 -5.678 -12.418 9.371 1.00 0.00 N ATOM 1140 CA ASN A 480 -7.076 -12.831 9.323 1.00 0.00 C ATOM 1141 C ASN A 480 -7.803 -12.157 8.163 1.00 0.00 C ATOM 1142 O ASN A 480 -7.252 -11.281 7.498 1.00 0.00 O ATOM 1143 CB ASN A 480 -7.774 -12.493 10.642 1.00 0.00 C ATOM 1144 CG ASN A 480 -7.025 -13.029 11.847 1.00 0.00 C ATOM 1145 OD1 ASN A 480 -6.905 -14.241 12.029 1.00 0.00 O ATOM 1146 ND2 ASN A 480 -6.516 -12.126 12.677 1.00 0.00 N ATOM 0 H ASN A 480 -5.433 -11.852 10.184 1.00 0.00 H new ATOM 0 HA ASN A 480 -7.106 -13.910 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 480 -7.873 -11.411 10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 480 -8.783 -12.905 10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 480 -6.001 -12.427 13.505 1.00 0.00 H new ATOM 0 HD22 ASN A 480 -6.640 -11.132 12.487 1.00 0.00 H new ATOM 1153 N GLU A 481 -9.044 -12.573 7.928 1.00 0.00 N ATOM 1154 CA GLU A 481 -9.846 -12.009 6.849 1.00 0.00 C ATOM 1155 C GLU A 481 -10.800 -10.943 7.379 1.00 0.00 C ATOM 1156 O GLU A 481 -11.025 -9.920 6.734 1.00 0.00 O ATOM 1157 CB GLU A 481 -10.637 -13.112 6.142 1.00 0.00 C ATOM 1158 CG GLU A 481 -11.543 -12.598 5.036 1.00 0.00 C ATOM 1159 CD GLU A 481 -12.045 -13.706 4.131 1.00 0.00 C ATOM 1160 OE1 GLU A 481 -12.042 -14.876 4.568 1.00 0.00 O ATOM 1161 OE2 GLU A 481 -12.439 -13.404 2.985 1.00 0.00 O ATOM 0 H GLU A 481 -9.515 -13.298 8.470 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.169 -11.542 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.939 -13.835 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -11.241 -13.643 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -12.395 -12.082 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -11.001 -11.864 4.439 1.00 0.00 H new ATOM 1168 N ALA A 482 -11.359 -11.192 8.559 1.00 0.00 N ATOM 1169 CA ALA A 482 -12.288 -10.254 9.177 1.00 0.00 C ATOM 1170 C ALA A 482 -11.673 -8.863 9.286 1.00 0.00 C ATOM 1171 O ALA A 482 -12.345 -7.857 9.057 1.00 0.00 O ATOM 1172 CB ALA A 482 -12.709 -10.756 10.551 1.00 0.00 C ATOM 0 H ALA A 482 -11.185 -12.035 9.106 1.00 0.00 H new ATOM 0 HA ALA A 482 -13.171 -10.184 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 482 -13.403 -10.046 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 482 -13.197 -11.726 10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 482 -11.829 -10.857 11.187 1.00 0.00 H new ATOM 1178 N ASP A 483 -10.392 -8.814 9.637 1.00 0.00 N ATOM 1179 CA ASP A 483 -9.686 -7.546 9.775 1.00 0.00 C ATOM 1180 C ASP A 483 -9.279 -6.998 8.411 1.00 0.00 C ATOM 1181 O ASP A 483 -9.104 -5.791 8.242 1.00 0.00 O ATOM 1182 CB ASP A 483 -8.449 -7.720 10.658 1.00 0.00 C ATOM 1183 CG ASP A 483 -7.315 -8.418 9.934 1.00 0.00 C ATOM 1184 OD1 ASP A 483 -7.571 -9.458 9.292 1.00 0.00 O ATOM 1185 OD2 ASP A 483 -6.171 -7.923 10.009 1.00 0.00 O ATOM 0 H ASP A 483 -9.822 -9.637 9.831 1.00 0.00 H new ATOM 0 HA ASP A 483 -10.362 -6.832 10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 483 -8.110 -6.742 11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 483 -8.717 -8.293 11.545 1.00 0.00 H new ATOM 1190 N TYR A 484 -9.130 -7.893 7.441 1.00 0.00 N ATOM 1191 CA TYR A 484 -8.740 -7.500 6.092 1.00 0.00 C ATOM 1192 C TYR A 484 -9.785 -6.580 5.469 1.00 0.00 C ATOM 1193 O TYR A 484 -9.452 -5.639 4.749 1.00 0.00 O ATOM 1194 CB TYR A 484 -8.546 -8.738 5.214 1.00 0.00 C ATOM 1195 CG TYR A 484 -8.812 -8.487 3.747 1.00 0.00 C ATOM 1196 CD1 TYR A 484 -8.279 -7.377 3.103 1.00 0.00 C ATOM 1197 CD2 TYR A 484 -9.597 -9.361 3.004 1.00 0.00 C ATOM 1198 CE1 TYR A 484 -8.520 -7.144 1.763 1.00 0.00 C ATOM 1199 CE2 TYR A 484 -9.842 -9.136 1.663 1.00 0.00 C ATOM 1200 CZ TYR A 484 -9.302 -8.026 1.047 1.00 0.00 C ATOM 1201 OH TYR A 484 -9.544 -7.798 -0.288 1.00 0.00 O ATOM 0 H TYR A 484 -9.273 -8.895 7.564 1.00 0.00 H new ATOM 0 HA TYR A 484 -7.797 -6.957 6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 484 -7.525 -9.101 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 484 -9.208 -9.529 5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 484 -7.666 -6.684 3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 484 -10.023 -10.230 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 484 -8.098 -6.276 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 484 -10.453 -9.826 1.100 1.00 0.00 H new ATOM 0 HH TYR A 484 -10.111 -8.513 -0.644 1.00 0.00 H new ATOM 1211 N LYS A 485 -11.053 -6.858 5.752 1.00 0.00 N ATOM 1212 CA LYS A 485 -12.150 -6.056 5.223 1.00 0.00 C ATOM 1213 C LYS A 485 -12.165 -4.669 5.858 1.00 0.00 C ATOM 1214 O LYS A 485 -12.319 -3.662 5.167 1.00 0.00 O ATOM 1215 CB LYS A 485 -13.488 -6.757 5.472 1.00 0.00 C ATOM 1216 CG LYS A 485 -13.602 -8.109 4.790 1.00 0.00 C ATOM 1217 CD LYS A 485 -14.991 -8.702 4.956 1.00 0.00 C ATOM 1218 CE LYS A 485 -15.227 -9.849 3.986 1.00 0.00 C ATOM 1219 NZ LYS A 485 -14.749 -11.148 4.535 1.00 0.00 N ATOM 0 H LYS A 485 -11.347 -7.634 6.346 1.00 0.00 H new ATOM 0 HA LYS A 485 -12.000 -5.943 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 485 -13.626 -6.888 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 485 -14.296 -6.114 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 485 -13.375 -8.003 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 485 -12.862 -8.792 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 485 -15.116 -9.058 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 485 -15.740 -7.927 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 485 -16.291 -9.920 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 485 -14.715 -9.641 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 -14.082 -11.583 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 -14.271 -10.986 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 -15.560 -11.784 4.678 1.00 0.00 H new ATOM 1233 N ALA A 486 -12.003 -4.625 7.176 1.00 0.00 N ATOM 1234 CA ALA A 486 -11.994 -3.361 7.902 1.00 0.00 C ATOM 1235 C ALA A 486 -10.985 -2.389 7.301 1.00 0.00 C ATOM 1236 O ALA A 486 -11.185 -1.175 7.329 1.00 0.00 O ATOM 1237 CB ALA A 486 -11.689 -3.600 9.374 1.00 0.00 C ATOM 0 H ALA A 486 -11.876 -5.450 7.763 1.00 0.00 H new ATOM 0 HA ALA A 486 -12.984 -2.914 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 486 -11.685 -2.648 9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 486 -12.451 -4.251 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 486 -10.712 -4.073 9.471 1.00 0.00 H new ATOM 1243 N ALA A 487 -9.899 -2.931 6.759 1.00 0.00 N ATOM 1244 CA ALA A 487 -8.859 -2.112 6.151 1.00 0.00 C ATOM 1245 C ALA A 487 -9.430 -1.233 5.043 1.00 0.00 C ATOM 1246 O ALA A 487 -9.098 -0.051 4.940 1.00 0.00 O ATOM 1247 CB ALA A 487 -7.744 -2.993 5.606 1.00 0.00 C ATOM 0 H ALA A 487 -9.717 -3.934 6.729 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.448 -1.460 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -6.974 -2.368 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.309 -3.574 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.150 -3.669 4.853 1.00 0.00 H new ATOM 1253 N LEU A 488 -10.290 -1.816 4.215 1.00 0.00 N ATOM 1254 CA LEU A 488 -10.907 -1.086 3.114 1.00 0.00 C ATOM 1255 C LEU A 488 -11.832 0.008 3.637 1.00 0.00 C ATOM 1256 O LEU A 488 -11.999 1.050 3.001 1.00 0.00 O ATOM 1257 CB LEU A 488 -11.690 -2.045 2.215 1.00 0.00 C ATOM 1258 CG LEU A 488 -10.854 -2.931 1.290 1.00 0.00 C ATOM 1259 CD1 LEU A 488 -9.923 -2.084 0.437 1.00 0.00 C ATOM 1260 CD2 LEU A 488 -10.062 -3.948 2.099 1.00 0.00 C ATOM 0 H LEU A 488 -10.576 -2.793 4.286 1.00 0.00 H new ATOM 0 HA LEU A 488 -10.114 -0.618 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 488 -12.300 -2.689 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 488 -12.375 -1.459 1.602 1.00 0.00 H new ATOM 0 HG LEU A 488 -11.530 -3.471 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 488 -9.336 -2.732 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 488 -10.511 -1.396 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 488 -9.253 -1.517 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 488 -9.473 -4.570 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 488 -9.396 -3.427 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -10.749 -4.577 2.666 1.00 0.00 H new ATOM 1272 N CYS A 489 -12.429 -0.234 4.798 1.00 0.00 N ATOM 1273 CA CYS A 489 -13.337 0.731 5.408 1.00 0.00 C ATOM 1274 C CYS A 489 -12.582 1.978 5.857 1.00 0.00 C ATOM 1275 O CYS A 489 -13.188 2.967 6.271 1.00 0.00 O ATOM 1276 CB CYS A 489 -14.060 0.101 6.599 1.00 0.00 C ATOM 1277 SG CYS A 489 -15.618 -0.710 6.172 1.00 0.00 S ATOM 0 H CYS A 489 -12.301 -1.091 5.337 1.00 0.00 H new ATOM 0 HA CYS A 489 -14.073 1.024 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -13.399 -0.629 7.067 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -14.257 0.874 7.341 1.00 0.00 H new ATOM 0 HG CYS A 489 -16.153 -1.214 7.244 1.00 0.00 H new ATOM 1283 N ARG A 490 -11.257 1.924 5.773 1.00 0.00 N ATOM 1284 CA ARG A 490 -10.419 3.048 6.174 1.00 0.00 C ATOM 1285 C ARG A 490 -9.915 3.812 4.953 1.00 0.00 C ATOM 1286 O ARG A 490 -8.784 4.300 4.937 1.00 0.00 O ATOM 1287 CB ARG A 490 -9.234 2.556 7.007 1.00 0.00 C ATOM 1288 CG ARG A 490 -9.638 1.694 8.191 1.00 0.00 C ATOM 1289 CD ARG A 490 -8.599 1.750 9.301 1.00 0.00 C ATOM 1290 NE ARG A 490 -8.591 3.044 9.977 1.00 0.00 N ATOM 1291 CZ ARG A 490 -9.585 3.480 10.743 1.00 0.00 C ATOM 1292 NH1 ARG A 490 -10.661 2.728 10.929 1.00 0.00 N ATOM 1293 NH2 ARG A 490 -9.504 4.669 11.325 1.00 0.00 N ATOM 0 H ARG A 490 -10.740 1.114 5.431 1.00 0.00 H new ATOM 0 HA ARG A 490 -11.024 3.723 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 490 -8.562 1.986 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 490 -8.673 3.417 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 490 -10.601 2.030 8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 490 -9.768 0.662 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 490 -8.801 0.963 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 490 -7.612 1.553 8.884 1.00 0.00 H new ATOM 0 HE ARG A 490 -7.777 3.647 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 490 -10.727 1.813 10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 490 -11.423 3.065 11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 490 -8.678 5.250 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 490 -10.268 5.002 11.913 1.00 0.00 H new ATOM 1307 N HIS A 491 -10.761 3.912 3.933 1.00 0.00 N ATOM 1308 CA HIS A 491 -10.401 4.617 2.708 1.00 0.00 C ATOM 1309 C HIS A 491 -10.467 6.127 2.911 1.00 0.00 C ATOM 1310 O HIS A 491 -11.256 6.622 3.716 1.00 0.00 O ATOM 1311 CB HIS A 491 -11.329 4.203 1.565 1.00 0.00 C ATOM 1312 CG HIS A 491 -11.134 5.004 0.315 1.00 0.00 C ATOM 1313 ND1 HIS A 491 -9.890 5.317 -0.192 1.00 0.00 N ATOM 1314 CD2 HIS A 491 -12.034 5.557 -0.532 1.00 0.00 C ATOM 1315 CE1 HIS A 491 -10.034 6.028 -1.296 1.00 0.00 C ATOM 1316 NE2 HIS A 491 -11.325 6.188 -1.525 1.00 0.00 N ATOM 0 H HIS A 491 -11.700 3.514 3.930 1.00 0.00 H new ATOM 0 HA HIS A 491 -9.377 4.347 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 491 -11.167 3.149 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 491 -12.363 4.303 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 491 -13.109 5.511 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 491 -9.232 6.413 -1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 491 -11.729 6.697 -2.311 1.00 0.00 H new ATOM 1325 N LYS A 492 -9.633 6.855 2.175 1.00 0.00 N ATOM 1326 CA LYS A 492 -9.597 8.310 2.273 1.00 0.00 C ATOM 1327 C LYS A 492 -9.123 8.750 3.655 1.00 0.00 C ATOM 1328 O LYS A 492 -9.745 9.599 4.292 1.00 0.00 O ATOM 1329 CB LYS A 492 -10.981 8.896 1.986 1.00 0.00 C ATOM 1330 CG LYS A 492 -11.678 8.256 0.798 1.00 0.00 C ATOM 1331 CD LYS A 492 -12.694 9.198 0.174 1.00 0.00 C ATOM 1332 CE LYS A 492 -13.474 8.517 -0.940 1.00 0.00 C ATOM 1333 NZ LYS A 492 -14.537 9.401 -1.493 1.00 0.00 N ATOM 0 H LYS A 492 -8.973 6.461 1.504 1.00 0.00 H new ATOM 0 HA LYS A 492 -8.891 8.682 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -11.607 8.778 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -10.883 9.966 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -10.937 7.971 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -12.177 7.341 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -13.384 9.550 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -12.183 10.076 -0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -12.790 8.228 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -13.925 7.601 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -15.046 8.901 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -15.204 9.656 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -14.104 10.264 -1.879 1.00 0.00 H new ATOM 1347 N GLN A 493 -8.019 8.168 4.110 1.00 0.00 N ATOM 1348 CA GLN A 493 -7.462 8.502 5.416 1.00 0.00 C ATOM 1349 C GLN A 493 -6.232 9.391 5.272 1.00 0.00 C ATOM 1350 O GLN A 493 -5.579 9.401 4.228 1.00 0.00 O ATOM 1351 CB GLN A 493 -7.098 7.227 6.180 1.00 0.00 C ATOM 1352 CG GLN A 493 -8.289 6.555 6.843 1.00 0.00 C ATOM 1353 CD GLN A 493 -9.076 7.502 7.728 1.00 0.00 C ATOM 1354 OE1 GLN A 493 -8.760 7.678 8.905 1.00 0.00 O ATOM 1355 NE2 GLN A 493 -10.109 8.119 7.164 1.00 0.00 N ATOM 0 H GLN A 493 -7.492 7.463 3.594 1.00 0.00 H new ATOM 0 HA GLN A 493 -8.220 9.049 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 493 -6.630 6.522 5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 493 -6.357 7.469 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 493 -8.947 6.151 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 493 -7.940 5.712 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 493 -10.335 7.944 6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 493 -10.676 8.768 7.710 1.00 0.00 H new ATOM 1364 N TYR A 494 -5.921 10.137 6.326 1.00 0.00 N ATOM 1365 CA TYR A 494 -4.770 11.032 6.316 1.00 0.00 C ATOM 1366 C TYR A 494 -3.727 10.590 7.338 1.00 0.00 C ATOM 1367 O TYR A 494 -4.064 10.181 8.448 1.00 0.00 O ATOM 1368 CB TYR A 494 -5.211 12.467 6.609 1.00 0.00 C ATOM 1369 CG TYR A 494 -5.896 13.141 5.442 1.00 0.00 C ATOM 1370 CD1 TYR A 494 -7.167 12.751 5.038 1.00 0.00 C ATOM 1371 CD2 TYR A 494 -5.272 14.167 4.743 1.00 0.00 C ATOM 1372 CE1 TYR A 494 -7.796 13.363 3.971 1.00 0.00 C ATOM 1373 CE2 TYR A 494 -5.894 14.786 3.676 1.00 0.00 C ATOM 1374 CZ TYR A 494 -7.156 14.380 3.293 1.00 0.00 C ATOM 1375 OH TYR A 494 -7.780 14.993 2.231 1.00 0.00 O ATOM 0 H TYR A 494 -6.450 10.140 7.198 1.00 0.00 H new ATOM 0 HA TYR A 494 -4.320 10.992 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 494 -5.888 12.463 7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 494 -4.339 13.055 6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 494 -7.672 11.956 5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 494 -4.284 14.486 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 494 -8.784 13.047 3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 494 -5.395 15.583 3.145 1.00 0.00 H new ATOM 0 HH TYR A 494 -7.195 15.688 1.865 1.00 0.00 H new ATOM 1385 N MET A 495 -2.457 10.677 6.953 1.00 0.00 N ATOM 1386 CA MET A 495 -1.364 10.288 7.836 1.00 0.00 C ATOM 1387 C MET A 495 -0.726 11.513 8.484 1.00 0.00 C ATOM 1388 O MET A 495 0.312 11.995 8.035 1.00 0.00 O ATOM 1389 CB MET A 495 -0.307 9.500 7.058 1.00 0.00 C ATOM 1390 CG MET A 495 0.467 8.512 7.914 1.00 0.00 C ATOM 1391 SD MET A 495 -0.449 6.987 8.214 1.00 0.00 S ATOM 1392 CE MET A 495 0.287 5.904 6.992 1.00 0.00 C ATOM 0 H MET A 495 -2.160 11.013 6.037 1.00 0.00 H new ATOM 0 HA MET A 495 -1.774 9.654 8.623 1.00 0.00 H new ATOM 0 HB2 MET A 495 -0.793 8.961 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 495 0.393 10.200 6.602 1.00 0.00 H new ATOM 0 HG2 MET A 495 1.411 8.274 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 495 0.712 8.978 8.868 1.00 0.00 H new ATOM 0 HE1 MET A 495 0.103 4.866 7.268 1.00 0.00 H new ATOM 0 HE2 MET A 495 -0.155 6.103 6.016 1.00 0.00 H new ATOM 0 HE3 MET A 495 1.361 6.083 6.947 1.00 0.00 H new ATOM 1402 N GLY A 496 -1.356 12.011 9.544 1.00 0.00 N ATOM 1403 CA GLY A 496 -0.836 13.175 10.236 1.00 0.00 C ATOM 1404 C GLY A 496 -1.003 14.450 9.433 1.00 0.00 C ATOM 1405 O GLY A 496 -1.893 15.253 9.709 1.00 0.00 O ATOM 0 H GLY A 496 -2.217 11.629 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -1.346 13.283 11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 496 0.221 13.022 10.454 1.00 0.00 H new ATOM 1409 N ASN A 497 -0.143 14.637 8.437 1.00 0.00 N ATOM 1410 CA ASN A 497 -0.198 15.825 7.593 1.00 0.00 C ATOM 1411 C ASN A 497 -0.225 15.442 6.116 1.00 0.00 C ATOM 1412 O ASN A 497 -0.161 16.304 5.240 1.00 0.00 O ATOM 1413 CB ASN A 497 1.002 16.732 7.874 1.00 0.00 C ATOM 1414 CG ASN A 497 2.306 15.961 7.945 1.00 0.00 C ATOM 1415 OD1 ASN A 497 2.623 15.347 8.964 1.00 0.00 O ATOM 1416 ND2 ASN A 497 3.069 15.990 6.859 1.00 0.00 N ATOM 0 H ASN A 497 0.600 13.981 8.195 1.00 0.00 H new ATOM 0 HA ASN A 497 -1.116 16.365 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 497 1.073 17.489 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 497 0.843 17.259 8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 497 3.958 15.490 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 497 2.766 16.512 6.037 1.00 0.00 H new ATOM 1423 N ARG A 498 -0.320 14.143 5.849 1.00 0.00 N ATOM 1424 CA ARG A 498 -0.355 13.646 4.479 1.00 0.00 C ATOM 1425 C ARG A 498 -1.656 12.897 4.206 1.00 0.00 C ATOM 1426 O ARG A 498 -2.445 12.648 5.118 1.00 0.00 O ATOM 1427 CB ARG A 498 0.840 12.727 4.217 1.00 0.00 C ATOM 1428 CG ARG A 498 2.173 13.457 4.177 1.00 0.00 C ATOM 1429 CD ARG A 498 2.473 13.991 2.785 1.00 0.00 C ATOM 1430 NE ARG A 498 2.952 12.943 1.888 1.00 0.00 N ATOM 1431 CZ ARG A 498 3.195 13.136 0.597 1.00 0.00 C ATOM 1432 NH1 ARG A 498 3.007 14.331 0.054 1.00 0.00 N ATOM 1433 NH2 ARG A 498 3.629 12.132 -0.155 1.00 0.00 N ATOM 0 H ARG A 498 -0.374 13.417 6.563 1.00 0.00 H new ATOM 0 HA ARG A 498 -0.301 14.502 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 498 0.877 11.963 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 498 0.690 12.211 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 498 2.159 14.282 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 498 2.969 12.781 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 498 1.572 14.441 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 498 3.222 14.780 2.853 1.00 0.00 H new ATOM 0 HE ARG A 498 3.108 12.012 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 498 2.675 15.106 0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 498 3.195 14.476 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 498 3.776 11.211 0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 498 3.815 12.281 -1.147 1.00 0.00 H new ATOM 1447 N PHE A 499 -1.873 12.540 2.944 1.00 0.00 N ATOM 1448 CA PHE A 499 -3.079 11.821 2.550 1.00 0.00 C ATOM 1449 C PHE A 499 -2.730 10.584 1.727 1.00 0.00 C ATOM 1450 O PHE A 499 -1.960 10.660 0.769 1.00 0.00 O ATOM 1451 CB PHE A 499 -4.005 12.737 1.747 1.00 0.00 C ATOM 1452 CG PHE A 499 -5.172 12.019 1.132 1.00 0.00 C ATOM 1453 CD1 PHE A 499 -6.263 11.654 1.904 1.00 0.00 C ATOM 1454 CD2 PHE A 499 -5.178 11.709 -0.219 1.00 0.00 C ATOM 1455 CE1 PHE A 499 -7.339 10.993 1.341 1.00 0.00 C ATOM 1456 CE2 PHE A 499 -6.251 11.049 -0.787 1.00 0.00 C ATOM 1457 CZ PHE A 499 -7.332 10.690 -0.006 1.00 0.00 C ATOM 0 H PHE A 499 -1.230 12.737 2.177 1.00 0.00 H new ATOM 0 HA PHE A 499 -3.593 11.500 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 499 -4.377 13.527 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 499 -3.429 13.221 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 499 -6.273 11.889 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 499 -4.335 11.986 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 499 -8.183 10.714 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 499 -6.244 10.814 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 499 -8.171 10.173 -0.448 1.00 0.00 H new ATOM 1467 N ILE A 500 -3.302 9.447 2.109 1.00 0.00 N ATOM 1468 CA ILE A 500 -3.052 8.194 1.407 1.00 0.00 C ATOM 1469 C ILE A 500 -4.353 7.572 0.913 1.00 0.00 C ATOM 1470 O ILE A 500 -5.405 7.738 1.530 1.00 0.00 O ATOM 1471 CB ILE A 500 -2.321 7.180 2.307 1.00 0.00 C ATOM 1472 CG1 ILE A 500 -0.870 7.614 2.527 1.00 0.00 C ATOM 1473 CG2 ILE A 500 -2.376 5.790 1.692 1.00 0.00 C ATOM 1474 CD1 ILE A 500 -0.715 8.695 3.574 1.00 0.00 C ATOM 0 H ILE A 500 -3.941 9.368 2.900 1.00 0.00 H new ATOM 0 HA ILE A 500 -2.418 8.432 0.553 1.00 0.00 H new ATOM 0 HB ILE A 500 -2.822 7.148 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 500 -0.280 6.746 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 500 -0.459 7.972 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 500 -1.855 5.085 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 500 -3.416 5.482 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 500 -1.897 5.806 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 500 0.339 8.953 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 500 -1.277 9.578 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 500 -1.095 8.333 4.529 1.00 0.00 H new ATOM 1486 N GLN A 501 -4.273 6.854 -0.203 1.00 0.00 N ATOM 1487 CA GLN A 501 -5.446 6.206 -0.779 1.00 0.00 C ATOM 1488 C GLN A 501 -5.380 4.694 -0.589 1.00 0.00 C ATOM 1489 O GLN A 501 -4.345 4.072 -0.830 1.00 0.00 O ATOM 1490 CB GLN A 501 -5.560 6.540 -2.267 1.00 0.00 C ATOM 1491 CG GLN A 501 -6.349 7.809 -2.547 1.00 0.00 C ATOM 1492 CD GLN A 501 -6.676 7.981 -4.017 1.00 0.00 C ATOM 1493 OE1 GLN A 501 -6.497 7.061 -4.817 1.00 0.00 O ATOM 1494 NE2 GLN A 501 -7.159 9.162 -4.383 1.00 0.00 N ATOM 0 H GLN A 501 -3.410 6.706 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 501 -6.329 6.581 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 501 -4.559 6.645 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 501 -6.035 5.705 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 501 -7.275 7.790 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 501 -5.777 8.671 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 501 -7.292 9.896 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -7.398 9.335 -5.360 1.00 0.00 H new ATOM 1503 N VAL A 502 -6.492 4.108 -0.156 1.00 0.00 N ATOM 1504 CA VAL A 502 -6.561 2.669 0.066 1.00 0.00 C ATOM 1505 C VAL A 502 -7.144 1.953 -1.147 1.00 0.00 C ATOM 1506 O VAL A 502 -8.215 2.313 -1.637 1.00 0.00 O ATOM 1507 CB VAL A 502 -7.411 2.332 1.305 1.00 0.00 C ATOM 1508 CG1 VAL A 502 -7.741 0.847 1.339 1.00 0.00 C ATOM 1509 CG2 VAL A 502 -6.690 2.755 2.576 1.00 0.00 C ATOM 0 H VAL A 502 -7.357 4.608 0.048 1.00 0.00 H new ATOM 0 HA VAL A 502 -5.540 2.325 0.231 1.00 0.00 H new ATOM 0 HB VAL A 502 -8.347 2.886 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 502 -8.342 0.628 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 502 -8.300 0.578 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 502 -6.817 0.270 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 502 -7.305 2.509 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 502 -5.738 2.229 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 502 -6.510 3.830 2.552 1.00 0.00 H new ATOM 1519 N HIS A 503 -6.434 0.938 -1.627 1.00 0.00 N ATOM 1520 CA HIS A 503 -6.882 0.170 -2.783 1.00 0.00 C ATOM 1521 C HIS A 503 -6.583 -1.315 -2.599 1.00 0.00 C ATOM 1522 O HIS A 503 -5.446 -1.719 -2.357 1.00 0.00 O ATOM 1523 CB HIS A 503 -6.207 0.683 -4.056 1.00 0.00 C ATOM 1524 CG HIS A 503 -6.774 1.977 -4.555 1.00 0.00 C ATOM 1525 ND1 HIS A 503 -7.667 2.052 -5.603 1.00 0.00 N ATOM 1526 CD2 HIS A 503 -6.573 3.250 -4.141 1.00 0.00 C ATOM 1527 CE1 HIS A 503 -7.988 3.316 -5.814 1.00 0.00 C ATOM 1528 NE2 HIS A 503 -7.338 4.063 -4.940 1.00 0.00 N ATOM 0 H HIS A 503 -5.546 0.628 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 503 -7.961 0.297 -2.875 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -5.142 0.812 -3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -6.302 -0.071 -4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -5.931 3.567 -3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -8.667 3.677 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 503 -7.395 5.079 -4.870 1.00 0.00 H new ATOM 1537 N PRO A 504 -7.628 -2.148 -2.714 1.00 0.00 N ATOM 1538 CA PRO A 504 -7.502 -3.601 -2.563 1.00 0.00 C ATOM 1539 C PRO A 504 -6.740 -4.240 -3.718 1.00 0.00 C ATOM 1540 O PRO A 504 -7.015 -3.961 -4.886 1.00 0.00 O ATOM 1541 CB PRO A 504 -8.955 -4.083 -2.550 1.00 0.00 C ATOM 1542 CG PRO A 504 -9.708 -3.036 -3.295 1.00 0.00 C ATOM 1543 CD PRO A 504 -9.012 -1.736 -3.002 1.00 0.00 C ATOM 0 HA PRO A 504 -6.940 -3.871 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 504 -9.053 -5.057 -3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 504 -9.328 -4.189 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 504 -9.711 -3.244 -4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 504 -10.749 -3.002 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 504 -9.060 -1.054 -3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 504 -9.463 -1.221 -2.154 1.00 0.00 H new ATOM 1551 N ILE A 505 -5.781 -5.097 -3.386 1.00 0.00 N ATOM 1552 CA ILE A 505 -4.980 -5.777 -4.397 1.00 0.00 C ATOM 1553 C ILE A 505 -4.724 -7.229 -4.010 1.00 0.00 C ATOM 1554 O ILE A 505 -4.827 -7.600 -2.840 1.00 0.00 O ATOM 1555 CB ILE A 505 -3.629 -5.069 -4.614 1.00 0.00 C ATOM 1556 CG1 ILE A 505 -2.946 -5.602 -5.875 1.00 0.00 C ATOM 1557 CG2 ILE A 505 -2.732 -5.257 -3.399 1.00 0.00 C ATOM 1558 CD1 ILE A 505 -1.838 -4.708 -6.386 1.00 0.00 C ATOM 0 H ILE A 505 -5.539 -5.337 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 505 -5.550 -5.746 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 505 -3.811 -4.002 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 505 -2.537 -6.591 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 505 -3.693 -5.725 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 505 -1.781 -4.751 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 505 -3.217 -4.834 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 505 -2.554 -6.320 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 505 -1.399 -5.148 -7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 505 -2.245 -3.726 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 505 -1.071 -4.605 -5.619 1.00 0.00 H new ATOM 1570 N THR A 506 -4.388 -8.049 -5.001 1.00 0.00 N ATOM 1571 CA THR A 506 -4.116 -9.462 -4.766 1.00 0.00 C ATOM 1572 C THR A 506 -2.644 -9.692 -4.443 1.00 0.00 C ATOM 1573 O THR A 506 -1.763 -9.064 -5.032 1.00 0.00 O ATOM 1574 CB THR A 506 -4.503 -10.319 -5.985 1.00 0.00 C ATOM 1575 OG1 THR A 506 -3.981 -9.733 -7.182 1.00 0.00 O ATOM 1576 CG2 THR A 506 -6.015 -10.451 -6.097 1.00 0.00 C ATOM 0 H THR A 506 -4.298 -7.759 -5.975 1.00 0.00 H new ATOM 0 HA THR A 506 -4.724 -9.763 -3.913 1.00 0.00 H new ATOM 0 HB THR A 506 -4.076 -11.313 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 506 -4.230 -10.285 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 506 -6.264 -11.061 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 506 -6.407 -10.925 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 506 -6.459 -9.462 -6.209 1.00 0.00 H new ATOM 1584 N LYS A 507 -2.383 -10.597 -3.506 1.00 0.00 N ATOM 1585 CA LYS A 507 -1.017 -10.913 -3.106 1.00 0.00 C ATOM 1586 C LYS A 507 -0.087 -10.934 -4.315 1.00 0.00 C ATOM 1587 O LYS A 507 0.926 -10.235 -4.345 1.00 0.00 O ATOM 1588 CB LYS A 507 -0.972 -12.265 -2.391 1.00 0.00 C ATOM 1589 CG LYS A 507 0.133 -12.369 -1.355 1.00 0.00 C ATOM 1590 CD LYS A 507 1.508 -12.284 -1.995 1.00 0.00 C ATOM 1591 CE LYS A 507 2.607 -12.644 -1.007 1.00 0.00 C ATOM 1592 NZ LYS A 507 2.602 -14.097 -0.678 1.00 0.00 N ATOM 0 H LYS A 507 -3.100 -11.125 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 507 -0.677 -10.136 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -1.932 -12.442 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -0.840 -13.054 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 507 0.022 -11.570 -0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 507 0.040 -13.312 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 507 1.554 -12.956 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 507 1.673 -11.275 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 507 3.576 -12.369 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 507 2.478 -12.064 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 3.491 -14.348 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 1.800 -14.308 -0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 2.511 -14.651 -1.554 1.00 0.00 H new ATOM 1606 N LYS A 508 -0.438 -11.740 -5.312 1.00 0.00 N ATOM 1607 CA LYS A 508 0.363 -11.851 -6.525 1.00 0.00 C ATOM 1608 C LYS A 508 0.616 -10.477 -7.137 1.00 0.00 C ATOM 1609 O LYS A 508 1.750 -10.135 -7.471 1.00 0.00 O ATOM 1610 CB LYS A 508 -0.338 -12.753 -7.543 1.00 0.00 C ATOM 1611 CG LYS A 508 0.523 -13.099 -8.745 1.00 0.00 C ATOM 1612 CD LYS A 508 1.326 -14.368 -8.509 1.00 0.00 C ATOM 1613 CE LYS A 508 2.459 -14.135 -7.521 1.00 0.00 C ATOM 1614 NZ LYS A 508 3.565 -15.116 -7.704 1.00 0.00 N ATOM 0 H LYS A 508 -1.273 -12.326 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 508 1.323 -12.293 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -0.644 -13.675 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -1.247 -12.260 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -0.110 -13.226 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 508 1.201 -12.273 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 508 0.668 -15.151 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 508 1.734 -14.723 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 508 2.846 -13.124 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 508 2.074 -14.207 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 4.317 -14.924 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 3.201 -16.080 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 3.949 -15.030 -8.667 1.00 0.00 H new ATOM 1628 N GLY A 509 -0.447 -9.692 -7.280 1.00 0.00 N ATOM 1629 CA GLY A 509 -0.318 -8.364 -7.850 1.00 0.00 C ATOM 1630 C GLY A 509 0.500 -7.435 -6.976 1.00 0.00 C ATOM 1631 O GLY A 509 1.121 -6.494 -7.469 1.00 0.00 O ATOM 0 H GLY A 509 -1.396 -9.952 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 509 0.148 -8.437 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 509 -1.310 -7.938 -7.999 1.00 0.00 H new ATOM 1635 N MET A 510 0.500 -7.698 -5.673 1.00 0.00 N ATOM 1636 CA MET A 510 1.248 -6.877 -4.728 1.00 0.00 C ATOM 1637 C MET A 510 2.750 -7.067 -4.912 1.00 0.00 C ATOM 1638 O MET A 510 3.520 -6.109 -4.847 1.00 0.00 O ATOM 1639 CB MET A 510 0.850 -7.223 -3.292 1.00 0.00 C ATOM 1640 CG MET A 510 1.492 -6.323 -2.249 1.00 0.00 C ATOM 1641 SD MET A 510 1.423 -7.024 -0.589 1.00 0.00 S ATOM 1642 CE MET A 510 2.405 -8.506 -0.807 1.00 0.00 C ATOM 0 H MET A 510 -0.009 -8.473 -5.248 1.00 0.00 H new ATOM 0 HA MET A 510 1.006 -5.832 -4.922 1.00 0.00 H new ATOM 0 HB2 MET A 510 -0.234 -7.158 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 510 1.126 -8.257 -3.087 1.00 0.00 H new ATOM 0 HG2 MET A 510 2.532 -6.144 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 510 0.990 -5.355 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 510 2.913 -8.746 0.127 1.00 0.00 H new ATOM 0 HE2 MET A 510 1.756 -9.334 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 510 3.145 -8.340 -1.590 1.00 0.00 H new ATOM 1652 N LEU A 511 3.160 -8.310 -5.142 1.00 0.00 N ATOM 1653 CA LEU A 511 4.571 -8.627 -5.335 1.00 0.00 C ATOM 1654 C LEU A 511 5.046 -8.175 -6.712 1.00 0.00 C ATOM 1655 O LEU A 511 6.158 -7.668 -6.860 1.00 0.00 O ATOM 1656 CB LEU A 511 4.804 -10.129 -5.170 1.00 0.00 C ATOM 1657 CG LEU A 511 4.641 -10.682 -3.753 1.00 0.00 C ATOM 1658 CD1 LEU A 511 4.495 -12.195 -3.784 1.00 0.00 C ATOM 1659 CD2 LEU A 511 5.822 -10.276 -2.883 1.00 0.00 C ATOM 0 H LEU A 511 2.535 -9.114 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 511 5.145 -8.092 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.113 -10.658 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.812 -10.360 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 511 3.734 -10.259 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.380 -12.570 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.617 -12.464 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.383 -12.637 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 511 5.689 -10.678 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.743 -10.670 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 511 5.881 -9.189 -2.834 1.00 0.00 H new ATOM 1671 N GLU A 512 4.196 -8.361 -7.717 1.00 0.00 N ATOM 1672 CA GLU A 512 4.530 -7.971 -9.082 1.00 0.00 C ATOM 1673 C GLU A 512 5.262 -6.633 -9.101 1.00 0.00 C ATOM 1674 O GLU A 512 6.329 -6.504 -9.702 1.00 0.00 O ATOM 1675 CB GLU A 512 3.263 -7.885 -9.935 1.00 0.00 C ATOM 1676 CG GLU A 512 2.901 -9.191 -10.621 1.00 0.00 C ATOM 1677 CD GLU A 512 2.105 -8.981 -11.895 1.00 0.00 C ATOM 1678 OE1 GLU A 512 0.867 -8.846 -11.804 1.00 0.00 O ATOM 1679 OE2 GLU A 512 2.720 -8.951 -12.981 1.00 0.00 O ATOM 0 H GLU A 512 3.272 -8.779 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 512 5.189 -8.732 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 512 2.431 -7.573 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 512 3.396 -7.112 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 512 3.814 -9.740 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 512 2.323 -9.810 -9.934 1.00 0.00 H new ATOM 1686 N LYS A 513 4.681 -5.638 -8.440 1.00 0.00 N ATOM 1687 CA LYS A 513 5.277 -4.308 -8.380 1.00 0.00 C ATOM 1688 C LYS A 513 6.578 -4.330 -7.585 1.00 0.00 C ATOM 1689 O LYS A 513 7.641 -3.991 -8.106 1.00 0.00 O ATOM 1690 CB LYS A 513 4.298 -3.316 -7.748 1.00 0.00 C ATOM 1691 CG LYS A 513 2.992 -3.181 -8.512 1.00 0.00 C ATOM 1692 CD LYS A 513 1.993 -2.318 -7.759 1.00 0.00 C ATOM 1693 CE LYS A 513 0.603 -2.411 -8.371 1.00 0.00 C ATOM 1694 NZ LYS A 513 -0.370 -1.526 -7.674 1.00 0.00 N ATOM 0 H LYS A 513 3.798 -5.727 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 513 5.500 -3.991 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 513 4.081 -3.632 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 513 4.775 -2.338 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 513 3.186 -2.744 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 513 2.565 -4.169 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.954 -2.631 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 513 2.327 -1.281 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 513 0.651 -2.138 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 513 0.254 -3.443 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -1.039 -1.132 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 -0.892 -2.076 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 0.140 -0.750 -7.206 1.00 0.00 H new ATOM 1708 N ILE A 514 6.487 -4.733 -6.321 1.00 0.00 N ATOM 1709 CA ILE A 514 7.658 -4.802 -5.456 1.00 0.00 C ATOM 1710 C ILE A 514 8.882 -5.290 -6.224 1.00 0.00 C ATOM 1711 O ILE A 514 10.015 -4.936 -5.897 1.00 0.00 O ATOM 1712 CB ILE A 514 7.416 -5.733 -4.254 1.00 0.00 C ATOM 1713 CG1 ILE A 514 6.343 -5.147 -3.335 1.00 0.00 C ATOM 1714 CG2 ILE A 514 8.711 -5.958 -3.488 1.00 0.00 C ATOM 1715 CD1 ILE A 514 5.747 -6.157 -2.380 1.00 0.00 C ATOM 0 H ILE A 514 5.615 -5.016 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 514 7.840 -3.791 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 514 7.064 -6.696 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 514 6.776 -4.328 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 514 5.546 -4.722 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 514 8.523 -6.618 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 514 9.449 -6.415 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 514 9.090 -5.002 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 514 4.994 -5.671 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 514 5.284 -6.965 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 514 6.533 -6.564 -1.744 1.00 0.00 H new ATOM 1727 N ASP A 515 8.645 -6.102 -7.248 1.00 0.00 N ATOM 1728 CA ASP A 515 9.728 -6.637 -8.066 1.00 0.00 C ATOM 1729 C ASP A 515 10.282 -5.567 -9.002 1.00 0.00 C ATOM 1730 O ASP A 515 11.490 -5.342 -9.056 1.00 0.00 O ATOM 1731 CB ASP A 515 9.237 -7.837 -8.878 1.00 0.00 C ATOM 1732 CG ASP A 515 10.352 -8.813 -9.200 1.00 0.00 C ATOM 1733 OD1 ASP A 515 11.189 -8.491 -10.068 1.00 0.00 O ATOM 1734 OD2 ASP A 515 10.387 -9.899 -8.583 1.00 0.00 O ATOM 0 H ASP A 515 7.713 -6.404 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 515 10.528 -6.961 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 515 8.455 -8.354 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 515 8.787 -7.485 -9.806 1.00 0.00 H new ATOM 1739 N MET A 516 9.389 -4.911 -9.737 1.00 0.00 N ATOM 1740 CA MET A 516 9.790 -3.865 -10.670 1.00 0.00 C ATOM 1741 C MET A 516 10.420 -2.689 -9.930 1.00 0.00 C ATOM 1742 O MET A 516 11.325 -2.032 -10.447 1.00 0.00 O ATOM 1743 CB MET A 516 8.583 -3.385 -11.480 1.00 0.00 C ATOM 1744 CG MET A 516 7.705 -2.394 -10.734 1.00 0.00 C ATOM 1745 SD MET A 516 6.529 -1.558 -11.814 1.00 0.00 S ATOM 1746 CE MET A 516 5.025 -1.700 -10.852 1.00 0.00 C ATOM 0 H MET A 516 8.385 -5.085 -9.704 1.00 0.00 H new ATOM 0 HA MET A 516 10.532 -4.284 -11.350 1.00 0.00 H new ATOM 0 HB2 MET A 516 8.935 -2.923 -12.402 1.00 0.00 H new ATOM 0 HB3 MET A 516 7.981 -4.248 -11.765 1.00 0.00 H new ATOM 0 HG2 MET A 516 7.161 -2.917 -9.947 1.00 0.00 H new ATOM 0 HG3 MET A 516 8.336 -1.651 -10.246 1.00 0.00 H new ATOM 0 HE1 MET A 516 4.341 -0.897 -11.126 1.00 0.00 H new ATOM 0 HE2 MET A 516 4.554 -2.662 -11.053 1.00 0.00 H new ATOM 0 HE3 MET A 516 5.264 -1.627 -9.791 1.00 0.00 H new ATOM 1756 N ILE A 517 9.936 -2.429 -8.721 1.00 0.00 N ATOM 1757 CA ILE A 517 10.453 -1.332 -7.911 1.00 0.00 C ATOM 1758 C ILE A 517 11.923 -1.549 -7.568 1.00 0.00 C ATOM 1759 O ILE A 517 12.731 -0.622 -7.638 1.00 0.00 O ATOM 1760 CB ILE A 517 9.652 -1.169 -6.606 1.00 0.00 C ATOM 1761 CG1 ILE A 517 8.163 -0.998 -6.915 1.00 0.00 C ATOM 1762 CG2 ILE A 517 10.173 0.018 -5.810 1.00 0.00 C ATOM 1763 CD1 ILE A 517 7.269 -1.207 -5.713 1.00 0.00 C ATOM 0 H ILE A 517 9.187 -2.962 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 517 10.350 -0.424 -8.506 1.00 0.00 H new ATOM 0 HB ILE A 517 9.778 -2.069 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 517 7.995 0.003 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 517 7.879 -1.703 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 517 9.597 0.120 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 517 11.223 -0.141 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 517 10.073 0.926 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 517 6.228 -1.070 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 517 7.408 -2.217 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 517 7.526 -0.485 -4.938 1.00 0.00 H new ATOM 1775 N ARG A 518 12.264 -2.779 -7.198 1.00 0.00 N ATOM 1776 CA ARG A 518 13.637 -3.117 -6.844 1.00 0.00 C ATOM 1777 C ARG A 518 14.564 -2.956 -8.046 1.00 0.00 C ATOM 1778 O ARG A 518 15.677 -2.444 -7.921 1.00 0.00 O ATOM 1779 CB ARG A 518 13.712 -4.552 -6.317 1.00 0.00 C ATOM 1780 CG ARG A 518 13.106 -4.725 -4.934 1.00 0.00 C ATOM 1781 CD ARG A 518 12.699 -6.169 -4.682 1.00 0.00 C ATOM 1782 NE ARG A 518 13.820 -6.979 -4.212 1.00 0.00 N ATOM 1783 CZ ARG A 518 13.693 -8.230 -3.783 1.00 0.00 C ATOM 1784 NH1 ARG A 518 12.502 -8.811 -3.766 1.00 0.00 N ATOM 1785 NH2 ARG A 518 14.761 -8.902 -3.371 1.00 0.00 N ATOM 0 H ARG A 518 11.608 -3.558 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 518 13.963 -2.432 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 518 13.199 -5.214 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 518 14.755 -4.866 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 518 13.826 -4.411 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 518 12.235 -4.077 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 518 11.897 -6.196 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 518 12.301 -6.599 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 518 14.751 -6.562 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 518 11.680 -8.298 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 518 12.408 -9.772 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 518 15.679 -8.458 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 518 14.663 -9.862 -3.042 1.00 0.00 H new