USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1058 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: B 581 GLN : amide:sc= 0.00374 X(o=-0.15,f=-0.31) USER MOD Set 1.2: B 626 GLN :FLIP amide:sc= 0.026 F(o=-1,f=-0.15) USER MOD Set 1.3: B 629 GLN : amide:sc= -0.176 X(o=-0.15,f=-0.16) USER MOD Single : B 505 SER OG : rot 156:sc= 1.25 USER MOD Single : B 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ 170:sc= 0.0405 (180deg=-0.109) USER MOD Single : B 519 THR OG1 : rot -7:sc= 0.926 USER MOD Single : B 522 LYS NZ :NH3+ 167:sc= -0.0967 (180deg=-0.334) USER MOD Single : B 528 CYS SG : rot 180:sc= -0.536 USER MOD Single : B 530 GLN :FLIP amide:sc= -0.331 F(o=-3.3!,f=-0.33) USER MOD Single : B 531 LYS NZ :NH3+ 169:sc= -0.0948 (180deg=-0.375) USER MOD Single : B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN :FLIP amide:sc= 1.19 F(o=-1.4,f=1.2) USER MOD Single : B 537 LYS NZ :NH3+ -139:sc= 1.2 (180deg=-0.0521) USER MOD Single : B 542 SER OG : rot -33:sc= 1.24 USER MOD Single : B 543 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.7) USER MOD Single : B 545 MET CE :methyl 179:sc= -1.61 (180deg=-1.71) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HD1:sc= -3.01! C(o=-3!,f=-4.4!) USER MOD Single : B 560 LYS NZ :NH3+ 166:sc= -0.0425 (180deg=-0.326) USER MOD Single : B 563 LYS NZ :NH3+ -166:sc= 0.0364 (180deg=0.0241) USER MOD Single : B 564 THR OG1 : rot 2:sc= 0.254 USER MOD Single : B 567 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HE2:sc= 0.917 K(o=0.92,f=-3.4!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-4!) USER MOD Single : B 583 MET CE :methyl -107:sc= -0.332 (180deg=-1.87!) USER MOD Single : B 585 CYS SG : rot 78:sc= 0.211 USER MOD Single : B 587 THR OG1 : rot 110:sc= -0.405! USER MOD Single : B 590 LYS NZ :NH3+ -167:sc= -0.0519 (180deg=-0.276) USER MOD Single : B 593 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.13) USER MOD Single : B 594 LYS NZ :NH3+ 157:sc= -0.122 (180deg=-0.678) USER MOD Single : B 595 CYS SG : rot 180:sc= 0 USER MOD Single : B 598 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.00025) USER MOD Single : B 601 GLN :FLIP amide:sc= -0.0291 F(o=-1.3!,f=-0.029) USER MOD Single : B 603 GLN : amide:sc= -0.089 K(o=-0.089,f=-0.72) USER MOD Single : B 608 MET CE :methyl -158:sc= -0.12 (180deg=-0.741) USER MOD Single : B 616 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.2!) USER MOD Single : B 617 ASN : amide:sc= -3.37! C(o=-3.4!,f=-7.8!) USER MOD Single : B 619 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : B 620 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 CYS SG : rot 180:sc= 0 USER MOD Single : B 628 GLN :FLIP amide:sc= -0.141 F(o=-3.2!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 382 N ILE B 504 6.402 10.438 -13.691 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.964 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.641 10.157 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.579 -12.300 1.00 0.00 O ATOM 386 CB ILE B 504 7.750 12.430 -13.116 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.033 12.550 -11.767 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.084 13.313 -14.164 1.00 1.33 C ATOM 389 CD1 ILE B 504 7.040 13.951 -11.194 1.00 2.13 C ATOM 0 HA ILE B 504 8.183 10.892 -14.589 1.00 0.00 H new ATOM 0 HB ILE B 504 8.778 12.767 -12.987 1.00 0.03 H new ATOM 0 HG12 ILE B 504 6.001 12.221 -11.884 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.504 11.874 -11.054 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.082 14.347 -13.820 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.635 13.243 -15.102 1.00 1.33 H new ATOM 0 HG23 ILE B 504 6.058 12.981 -14.321 1.00 1.33 H new ATOM 0 HD11 ILE B 504 6.514 13.956 -10.239 1.00 2.13 H new ATOM 0 HD12 ILE B 504 8.069 14.277 -11.043 1.00 2.13 H new ATOM 0 HD13 ILE B 504 6.542 14.630 -11.886 1.00 2.13 H new ATOM 403 N SER B 505 8.155 8.984 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.935 8.046 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.002 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.337 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.196 6.712 -11.322 1.00 0.00 C ATOM 408 OG SER B 505 8.958 5.771 -10.583 1.00 1.29 O ATOM 0 H SER B 505 7.217 8.656 -12.477 1.00 0.00 H new ATOM 0 HA SER B 505 9.050 8.497 -10.451 1.00 0.00 H new ATOM 0 HB2 SER B 505 7.232 6.866 -10.837 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.992 6.319 -12.318 1.00 0.00 H new ATOM 0 HG SER B 505 8.360 5.096 -10.198 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.218 1.00 0.00 N ATOM 415 CA GLY B 506 12.729 7.975 -11.662 1.00 0.00 C ATOM 416 C GLY B 506 13.331 9.211 -12.322 1.00 0.00 C ATOM 417 O GLY B 506 14.477 9.168 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.257 8.524 -10.278 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.345 7.699 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.772 7.144 -12.367 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.546 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.491 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.522 -12.176 1.00 0.00 O ATOM 425 CB ALA B 507 12.026 12.258 -13.760 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.356 -12.085 1.00 0.00 H new ATOM 0 HA ALA B 507 13.934 11.277 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.430 13.182 -14.173 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.692 11.613 -14.573 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.182 12.490 -13.111 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.126 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.840 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.004 -8.717 1.00 0.00 C ATOM 434 O MET B 508 15.078 10.780 -8.819 1.00 0.00 O ATOM 435 CB MET B 508 12.901 13.259 -8.505 1.00 0.01 C ATOM 436 CG MET B 508 11.821 14.104 -9.159 1.00 0.47 C ATOM 437 SD MET B 508 12.455 15.656 -9.821 1.00 1.65 S ATOM 438 CE MET B 508 10.968 16.345 -10.542 1.00 2.21 C ATOM 0 H MET B 508 12.871 11.326 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.524 13.722 -9.854 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.444 12.365 -8.080 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.337 13.818 -7.677 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.357 13.534 -9.964 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.041 14.317 -8.428 1.00 0.47 H new ATOM 0 HE1 MET B 508 11.196 17.310 -10.994 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.587 15.668 -11.306 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.215 16.477 -9.765 1.00 2.21 H new ATOM 448 N HIS B 509 15.906 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.892 12.033 -7.079 1.00 0.00 C ATOM 450 C HIS B 509 16.164 11.351 -5.920 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.945 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.899 13.054 -6.543 1.00 0.00 C ATOM 453 CG HIS B 509 18.705 13.719 -7.615 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.445 14.995 -8.069 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.772 13.280 -8.323 1.00 1.87 C ATOM 456 CE1 HIS B 509 19.318 15.311 -9.010 1.00 2.67 C ATOM 457 NE2 HIS B 509 20.135 14.287 -9.182 1.00 2.55 N ATOM 0 H HIS B 509 15.934 13.702 -7.913 1.00 0.00 H new ATOM 0 HA HIS B 509 17.441 11.289 -7.656 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.364 13.816 -5.976 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.575 12.555 -5.848 1.00 0.00 H new ATOM 0 HD2 HIS B 509 20.249 12.316 -8.229 1.00 1.87 H new ATOM 0 HE1 HIS B 509 19.357 16.247 -9.547 1.00 2.67 H new ATOM 0 HE2 HIS B 509 20.909 14.251 -9.845 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 10.104 -5.621 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.057 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.347 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.694 8.080 -4.244 1.00 0.01 C ATOM 471 CG GLU B 510 18.040 8.457 -3.647 1.00 1.38 C ATOM 472 CD GLU B 510 18.916 7.248 -3.382 1.00 2.04 C ATOM 473 OE1 GLU B 510 18.771 6.635 -2.302 1.00 2.66 O ATOM 474 OE2 GLU B 510 19.746 6.913 -4.252 1.00 2.52 O ATOM 0 H GLU B 510 17.340 9.639 -6.052 1.00 0.00 H new ATOM 0 HA GLU B 510 14.915 8.951 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.145 7.473 -3.524 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.858 7.459 -5.124 1.00 0.01 H new ATOM 0 HG2 GLU B 510 18.558 9.135 -4.325 1.00 1.38 H new ATOM 0 HG3 GLU B 510 17.882 8.998 -2.714 1.00 1.38 H new ATOM 481 N GLU B 511 16.275 10.994 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.771 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.930 1.00 0.00 C ATOM 484 O GLU B 511 14.161 13.020 -1.026 1.00 0.00 O ATOM 485 CB GLU B 511 17.383 12.466 -1.370 1.00 0.01 C ATOM 486 CG GLU B 511 18.505 11.498 -1.036 1.00 1.31 C ATOM 487 CD GLU B 511 18.163 10.588 0.129 1.00 1.88 C ATOM 488 OE1 GLU B 511 18.434 10.977 1.285 1.00 2.44 O ATOM 489 OE2 GLU B 511 17.626 9.488 -0.115 1.00 2.41 O ATOM 0 H GLU B 511 17.124 11.234 -3.499 1.00 0.00 H new ATOM 0 HA GLU B 511 15.768 11.086 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.706 13.116 -2.183 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.197 13.105 -0.507 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.729 10.891 -1.913 1.00 1.31 H new ATOM 0 HG3 GLU B 511 19.408 12.061 -0.799 1.00 1.31 H new ATOM 496 N ASP B 512 14.947 13.486 -3.078 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.416 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.576 1.00 0.00 C ATOM 499 O ASP B 512 11.476 13.995 -3.147 1.00 0.00 O ATOM 500 CB ASP B 512 14.131 15.137 -4.702 1.00 0.00 C ATOM 501 CG ASP B 512 15.338 16.044 -4.561 1.00 1.11 C ATOM 502 OD1 ASP B 512 15.175 17.172 -4.053 1.00 1.03 O ATOM 503 OD2 ASP B 512 16.445 15.625 -4.959 1.00 2.08 O ATOM 0 H ASP B 512 15.679 13.437 -3.786 1.00 0.00 H new ATOM 0 HA ASP B 512 13.698 15.075 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.303 14.431 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.261 15.734 -4.977 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.404 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.494 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.181 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.046 10.198 -5.044 1.00 0.01 C ATOM 513 CG GLU B 513 12.559 10.385 -6.462 1.00 1.13 C ATOM 514 CD GLU B 513 12.923 9.074 -7.132 1.00 1.38 C ATOM 515 OE1 GLU B 513 12.006 8.384 -7.624 1.00 1.88 O ATOM 516 OE2 GLU B 513 14.125 8.737 -7.162 1.00 1.92 O ATOM 0 H GLU B 513 13.554 12.068 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.843 11.979 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.839 9.764 -4.435 1.00 0.01 H new ATOM 0 HB3 GLU B 513 11.225 9.481 -5.056 1.00 0.01 H new ATOM 0 HG2 GLU B 513 11.798 10.892 -7.055 1.00 1.13 H new ATOM 0 HG3 GLU B 513 13.434 11.034 -6.444 1.00 1.13 H new ATOM 523 N LYS B 514 11.665 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.514 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.273 11.633 -0.178 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.276 10.214 0.243 1.00 0.03 C ATOM 528 CG LYS B 514 12.981 8.896 -0.035 1.00 1.17 C ATOM 529 CD LYS B 514 14.044 8.605 1.011 1.00 1.23 C ATOM 530 CE LYS B 514 14.712 7.262 0.765 1.00 2.02 C ATOM 531 NZ LYS B 514 15.372 7.206 -0.568 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.765 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.507 9.630 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS B 514 13.005 11.023 0.195 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.882 10.199 1.259 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.251 8.087 -0.049 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.440 8.928 -1.023 1.00 1.17 H new ATOM 0 HD2 LYS B 514 14.795 9.395 0.998 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.592 8.612 2.003 1.00 1.23 H new ATOM 0 HE2 LYS B 514 15.451 7.076 1.544 1.00 2.02 H new ATOM 0 HE3 LYS B 514 13.968 6.468 0.835 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 15.955 6.347 -0.631 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 14.647 7.188 -1.314 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 15.975 8.044 -0.692 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.935 14.767 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.132 15.220 0.450 1.00 0.02 C ATOM 550 CG ARG B 515 10.568 16.452 1.139 1.00 1.32 C ATOM 551 CD ARG B 515 11.533 17.626 1.064 1.00 1.65 C ATOM 552 NE ARG B 515 12.772 17.364 1.793 1.00 2.20 N ATOM 553 CZ ARG B 515 13.757 18.249 1.918 1.00 2.85 C ATOM 554 NH1 ARG B 515 13.651 19.451 1.366 1.00 3.02 N ATOM 555 NH2 ARG B 515 14.850 17.933 2.600 1.00 3.75 N ATOM 0 H ARG B 515 11.823 13.002 -0.372 1.00 0.00 H new ATOM 0 HA ARG B 515 9.941 13.794 1.530 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.078 14.952 0.920 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.351 15.464 -0.590 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.621 16.728 0.675 1.00 1.32 H new ATOM 0 HG3 ARG B 515 10.356 16.221 2.183 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.765 17.839 0.020 1.00 1.65 H new ATOM 0 HD3 ARG B 515 11.054 18.516 1.472 1.00 1.65 H new ATOM 0 HE ARG B 515 12.888 16.450 2.231 1.00 2.20 H new ATOM 0 HH11 ARG B 515 12.811 19.700 0.843 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.409 20.126 1.465 1.00 3.02 H new ATOM 0 HH21 ARG B 515 14.935 17.011 3.029 1.00 3.75 H new ATOM 0 HH22 ARG B 515 15.605 18.612 2.696 1.00 3.75 H new ATOM 569 N PHE B 516 8.960 14.083 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.888 -2.146 1.00 0.00 O ATOM 573 CB PHE B 516 8.338 14.492 -3.873 1.00 0.01 C ATOM 574 CG PHE B 516 7.327 15.078 -4.818 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.239 16.449 -4.994 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.466 14.257 -5.530 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.312 16.992 -5.863 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.535 14.795 -6.400 1.00 1.70 C ATOM 579 CZ PHE B 516 5.459 16.165 -6.568 1.00 1.89 C ATOM 0 H PHE B 516 9.742 13.632 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.531 15.454 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.260 15.071 -3.936 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.576 13.478 -4.193 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.903 17.101 -4.446 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.523 13.186 -5.404 1.00 1.15 H new ATOM 0 HE1 PHE B 516 6.254 18.063 -5.991 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.868 14.145 -6.947 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.735 16.588 -7.249 1.00 1.89 H new ATOM 589 N LEU B 517 7.024 12.191 -2.258 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.146 -2.060 1.00 0.00 C ATOM 591 C LEU B 517 5.449 11.158 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.671 9.779 -2.342 1.00 0.02 C ATOM 594 CG LEU B 517 7.195 9.587 -3.767 1.00 1.00 C ATOM 595 CD1 LEU B 517 7.836 8.216 -3.918 1.00 1.77 C ATOM 596 CD2 LEU B 517 6.072 9.767 -4.778 1.00 1.90 C ATOM 0 H LEU B 517 7.976 11.849 -2.392 1.00 0.00 H new ATOM 0 HA LEU B 517 5.233 11.337 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.494 9.623 -1.645 1.00 0.02 H new ATOM 0 HB3 LEU B 517 5.929 9.007 -2.137 1.00 0.02 H new ATOM 0 HG LEU B 517 7.954 10.345 -3.960 1.00 1.00 H new ATOM 0 HD11 LEU B 517 8.203 8.096 -4.937 1.00 1.77 H new ATOM 0 HD12 LEU B 517 8.668 8.124 -3.220 1.00 1.77 H new ATOM 0 HD13 LEU B 517 7.097 7.443 -3.705 1.00 1.77 H new ATOM 0 HD21 LEU B 517 6.464 9.627 -5.786 1.00 1.90 H new ATOM 0 HD22 LEU B 517 5.290 9.032 -4.587 1.00 1.90 H new ATOM 0 HD23 LEU B 517 5.657 10.771 -4.686 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.561 0.339 1.00 0.00 N ATOM 609 CA VAL B 518 5.646 11.607 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.589 12.697 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.542 2.393 1.00 0.00 O ATOM 612 CB VAL B 518 6.705 11.839 2.774 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.396 13.179 2.603 1.00 1.40 C ATOM 614 CG2 VAL B 518 6.069 11.734 4.152 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.847 0.263 1.00 0.00 H new ATOM 0 HA VAL B 518 5.199 10.634 1.875 1.00 0.00 H new ATOM 0 HB VAL B 518 7.463 11.062 2.680 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.135 13.311 3.394 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.893 13.211 1.633 1.00 1.40 H new ATOM 0 HG13 VAL B 518 6.658 13.979 2.659 1.00 1.40 H new ATOM 0 HG21 VAL B 518 6.828 11.900 4.917 1.00 1.40 H new ATOM 0 HG22 VAL B 518 5.286 12.486 4.249 1.00 1.40 H new ATOM 0 HG23 VAL B 518 5.637 10.741 4.279 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.991 1.00 0.00 N ATOM 625 CA THR B 519 3.884 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.080 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.532 16.179 0.370 1.00 0.02 C ATOM 629 OG1 THR B 519 5.160 15.924 -0.888 1.00 1.10 O ATOM 630 CG2 THR B 519 5.556 16.730 1.351 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.437 1.00 0.00 H new ATOM 0 HA THR B 519 3.571 15.071 1.950 1.00 0.00 H new ATOM 0 HB THR B 519 3.744 16.919 0.231 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.145 14.962 -1.072 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.001 17.637 0.942 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.066 16.961 2.297 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.336 15.987 1.518 1.00 1.18 H new ATOM 638 N VAL B 520 2.838 13.785 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.911 1.00 0.00 C ATOM 640 C VAL B 520 0.730 12.563 -1.305 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.779 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.292 12.893 -3.228 1.00 0.03 C ATOM 643 CG1 VAL B 520 1.153 12.346 -4.077 1.00 1.21 C ATOM 644 CG2 VAL B 520 3.085 13.929 -4.009 1.00 1.22 C ATOM 0 H VAL B 520 3.731 13.353 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.280 14.455 -2.129 1.00 0.00 H new ATOM 0 HB VAL B 520 2.953 12.064 -2.974 1.00 0.03 H new ATOM 0 HG11 VAL B 520 1.556 11.924 -4.998 1.00 1.21 H new ATOM 0 HG12 VAL B 520 0.626 11.570 -3.522 1.00 1.21 H new ATOM 0 HG13 VAL B 520 0.461 13.152 -4.320 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.453 13.484 -4.934 1.00 1.22 H new ATOM 0 HG22 VAL B 520 2.442 14.777 -4.245 1.00 1.22 H new ATOM 0 HG23 VAL B 520 3.929 14.269 -3.409 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.330 10.516 -0.063 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.779 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.308 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.019 9.138 -0.080 1.00 0.02 C ATOM 659 CG1 ILE B 521 2.164 9.100 0.939 1.00 1.41 C ATOM 660 CG2 ILE B 521 1.528 8.827 -1.480 1.00 1.40 C ATOM 661 CD1 ILE B 521 2.917 7.787 0.963 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.394 -0.395 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.538 10.540 -0.722 1.00 0.00 H new ATOM 0 HB ILE B 521 0.292 8.375 0.200 1.00 0.02 H new ATOM 0 HG12 ILE B 521 2.864 9.905 0.716 1.00 1.41 H new ATOM 0 HG13 ILE B 521 1.760 9.295 1.933 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.013 7.851 -1.482 1.00 1.40 H new ATOM 0 HG22 ILE B 521 0.691 8.817 -2.178 1.00 1.40 H new ATOM 0 HG23 ILE B 521 2.245 9.590 -1.784 1.00 1.40 H new ATOM 0 HD11 ILE B 521 3.711 7.837 1.708 1.00 1.98 H new ATOM 0 HD12 ILE B 521 2.231 6.979 1.217 1.00 1.98 H new ATOM 0 HD13 ILE B 521 3.352 7.599 -0.019 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.556 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.085 11.986 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.283 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.095 1.00 0.00 O ATOM 677 CB LYS B 522 1.156 12.816 4.174 1.00 0.01 C ATOM 678 CG LYS B 522 0.757 13.250 5.576 1.00 1.10 C ATOM 679 CD LYS B 522 1.910 13.923 6.307 1.00 1.37 C ATOM 680 CE LYS B 522 2.357 15.198 5.607 1.00 2.02 C ATOM 681 NZ LYS B 522 1.225 16.137 5.383 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.899 1.890 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.119 11.110 4.076 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.076 12.234 4.231 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.375 13.701 3.577 1.00 0.01 H new ATOM 0 HG2 LYS B 522 -0.087 13.937 5.518 1.00 1.10 H new ATOM 0 HG3 LYS B 522 0.423 12.382 6.144 1.00 1.10 H new ATOM 0 HD2 LYS B 522 1.606 14.156 7.328 1.00 1.37 H new ATOM 0 HD3 LYS B 522 2.750 13.232 6.374 1.00 1.37 H new ATOM 0 HE2 LYS B 522 3.124 15.690 6.205 1.00 2.02 H new ATOM 0 HE3 LYS B 522 2.813 14.945 4.650 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 1.596 17.070 5.111 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 0.616 15.771 4.623 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 0.670 16.227 6.258 1.00 2.57 H new ATOM 695 N ASP B 523 -1.244 13.555 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.763 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.665 14.192 1.202 1.00 0.00 O ATOM 699 CB ASP B 523 -1.956 15.708 1.305 1.00 0.01 C ATOM 700 CG ASP B 523 -3.112 16.659 1.060 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.418 17.466 1.963 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.712 16.594 -0.033 1.00 2.17 O ATOM 0 H ASP B 523 -0.521 13.599 1.480 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.838 14.579 2.950 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.215 16.197 1.937 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.468 15.483 0.357 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.737 0.330 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.916 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.068 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.596 11.025 -1.407 1.00 0.04 C ATOM 712 CG LEU B 524 -3.809 11.505 -2.848 1.00 0.63 C ATOM 713 CD1 LEU B 524 -3.229 12.898 -3.044 1.00 1.48 C ATOM 714 CD2 LEU B 524 -3.188 10.529 -3.835 1.00 1.36 C ATOM 0 H LEU B 524 -2.232 12.456 0.129 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.941 12.571 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.525 10.948 -1.221 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.009 10.021 -1.310 1.00 0.04 H new ATOM 0 HG LEU B 524 -4.882 11.550 -3.035 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -3.391 13.218 -4.073 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -3.720 13.595 -2.365 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.160 12.880 -2.834 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.350 10.887 -4.852 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -2.118 10.450 -3.644 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -3.651 9.549 -3.718 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.452 1.614 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.756 3.564 1.00 0.00 C ATOM 729 O LEU B 525 -6.736 10.378 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.579 9.306 3.691 1.00 0.02 C ATOM 731 CG LEU B 525 -4.015 8.859 5.089 1.00 1.09 C ATOM 732 CD1 LEU B 525 -4.829 7.578 5.015 1.00 1.76 C ATOM 733 CD2 LEU B 525 -2.804 8.673 5.989 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.393 1.539 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.300 8.948 2.450 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -3.079 8.471 3.199 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -2.842 10.102 3.795 1.00 0.02 H new ATOM 0 HG LEU B 525 -4.646 9.638 5.517 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -5.128 7.279 6.019 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -5.718 7.746 4.407 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -4.226 6.789 4.566 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.132 8.355 6.979 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -2.147 7.914 5.563 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -2.263 9.616 6.071 1.00 1.95 H new ATOM 745 N GLY B 526 -5.168 11.989 3.759 1.00 0.00 N ATOM 746 CA GLY B 526 -5.938 12.957 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.326 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.272 12.331 3.411 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.551 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.339 13.852 4.674 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.476 2.452 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.596 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.561 1.00 0.00 O ATOM 756 CB LEU B 527 -7.800 14.015 0.160 1.00 0.01 C ATOM 757 CG LEU B 527 -8.919 14.437 -0.797 1.00 0.98 C ATOM 758 CD1 LEU B 527 -9.475 15.797 -0.403 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.413 14.459 -2.231 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.419 1.952 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.754 14.623 1.987 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.041 14.797 0.176 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -7.324 13.117 -0.234 1.00 0.01 H new ATOM 0 HG LEU B 527 -9.725 13.706 -0.729 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -10.269 16.080 -1.094 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -9.876 15.747 0.609 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -8.679 16.540 -0.441 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -9.221 14.761 -2.897 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -7.589 15.168 -2.315 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.066 13.464 -2.510 1.00 1.67 H new ATOM 771 N CYS B 528 -8.712 11.354 1.697 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.170 1.623 1.00 0.00 C ATOM 773 C CYS B 528 -10.504 10.117 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.879 2.623 1.00 0.00 O ATOM 775 CB CYS B 528 -8.682 8.907 1.596 1.00 0.04 C ATOM 776 SG CYS B 528 -9.635 7.372 1.562 1.00 0.59 S ATOM 0 H CYS B 528 -7.715 11.169 1.811 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.118 10.220 0.699 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.033 8.940 0.721 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.034 8.902 2.473 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.823 6.357 1.538 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.989 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.452 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.633 5.139 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.856 10.597 6.414 1.00 0.02 C ATOM 787 CG GLU B 529 -10.602 10.556 7.739 1.00 1.29 C ATOM 788 CD GLU B 529 -11.339 9.248 7.949 1.00 1.85 C ATOM 789 OE1 GLU B 529 -10.727 8.302 8.488 1.00 2.50 O ATOM 790 OE2 GLU B 529 -12.528 9.170 7.576 1.00 2.25 O ATOM 0 H GLU B 529 -8.960 10.445 4.144 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.356 9.539 5.272 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.114 9.799 6.400 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -9.313 11.539 6.342 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -9.895 10.706 8.555 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -11.314 11.381 7.777 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.683 4.408 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.305 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.697 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.372 15.037 3.721 1.00 0.01 C ATOM 802 CG GLN B 530 -12.092 16.376 3.729 1.00 0.99 C ATOM 803 CD GLN B 530 -11.202 17.527 3.297 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.245 17.242 2.419 1.00 2.15 O flip ATOM 805 NE2 GLN B 530 -11.371 18.659 3.747 1.00 2.24 N flip ATOM 0 H GLN B 530 -10.517 12.721 3.874 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.526 14.136 5.317 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.446 15.129 4.288 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.095 14.789 2.696 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -12.956 16.322 3.066 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.471 16.573 4.732 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -12.118 18.834 4.419 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -10.764 19.423 3.448 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.332 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.795 1.00 0.00 C ATOM 817 O LYS B 531 -14.849 10.864 2.245 1.00 0.00 O ATOM 818 CB LYS B 531 -13.886 12.756 -0.079 1.00 0.03 C ATOM 819 CG LYS B 531 -13.155 13.928 -0.718 1.00 0.77 C ATOM 820 CD LYS B 531 -14.048 14.691 -1.687 1.00 1.35 C ATOM 821 CE LYS B 531 -15.185 15.403 -0.970 1.00 1.81 C ATOM 822 NZ LYS B 531 -14.682 16.394 0.021 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.964 1.864 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.980 13.970 1.318 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.215 11.898 -0.041 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.727 12.475 -0.713 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.802 14.604 0.061 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.274 13.563 -1.246 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -13.450 15.420 -2.234 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -14.459 14.000 -2.423 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -15.815 15.909 -1.701 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -15.811 14.669 -0.463 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -15.471 16.986 0.351 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -14.262 15.893 0.830 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -13.961 16.996 -0.425 1.00 2.28 H new ATOM 836 N ARG B 532 -16.622 12.148 1.689 1.00 0.00 N ATOM 837 CA ARG B 532 -17.590 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.045 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.883 10.829 -0.304 1.00 0.00 O ATOM 840 CB ARG B 532 -18.798 11.785 2.754 1.00 0.01 C ATOM 841 CG ARG B 532 -19.563 12.758 1.871 1.00 1.32 C ATOM 842 CD ARG B 532 -20.910 13.124 2.478 1.00 1.86 C ATOM 843 NE ARG B 532 -20.783 13.592 3.856 1.00 2.54 N ATOM 844 CZ ARG B 532 -21.820 13.884 4.637 1.00 3.32 C ATOM 845 NH1 ARG B 532 -23.058 13.766 4.174 1.00 3.60 N ATOM 846 NH2 ARG B 532 -21.619 14.296 5.881 1.00 4.21 N ATOM 0 H ARG B 532 -17.024 13.020 1.346 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.116 10.457 2.767 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.476 10.998 3.084 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -18.459 12.309 3.648 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -18.971 13.662 1.726 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.715 12.315 0.887 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -21.380 13.900 1.874 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -21.568 12.255 2.450 1.00 1.86 H new ATOM 0 HE ARG B 532 -19.845 13.701 4.242 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -23.217 13.451 3.217 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -23.851 13.991 4.775 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -20.669 14.389 6.240 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -22.414 14.520 6.479 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.070 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.352 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.883 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.786 2.001 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.750 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.488 8.993 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.995 5.432 -2.532 1.00 0.00 C ATOM 870 O LYS B 534 -15.867 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.118 3.748 -1.046 1.00 0.02 C ATOM 872 CG LYS B 534 -18.422 3.267 0.363 1.00 1.17 C ATOM 873 CD LYS B 534 -19.060 1.886 0.363 1.00 1.67 C ATOM 874 CE LYS B 534 -18.094 0.821 -0.131 1.00 2.37 C ATOM 875 NZ LYS B 534 -18.688 -0.542 -0.061 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.750 -0.055 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.529 5.104 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -19.048 3.799 -1.613 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -17.482 3.015 -1.542 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -17.501 3.242 0.945 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.090 3.976 0.853 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -19.391 1.638 1.372 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -19.947 1.895 -0.270 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -17.807 1.040 -1.160 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -17.183 0.851 0.467 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -17.998 -1.239 -0.406 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -18.938 -0.761 0.924 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -19.543 -0.579 -0.652 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.013 -3.333 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.670 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.299 -4.619 1.00 0.00 C ATOM 892 O ASP B 535 -15.263 7.030 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.628 7.243 -5.320 1.00 0.01 C ATOM 894 CG ASP B 535 -19.053 8.434 -4.485 1.00 1.35 C ATOM 895 OD1 ASP B 535 -19.868 8.249 -3.556 1.00 1.82 O ATOM 896 OD2 ASP B 535 -18.572 9.553 -4.760 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.192 -3.087 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.292 5.560 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -18.309 7.588 -6.303 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -19.485 6.587 -5.475 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.325 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.037 9.193 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.398 10.398 -2.730 1.00 0.07 C ATOM 906 CG ASN B 536 -16.439 11.291 -3.377 1.00 0.63 C ATOM 907 OD1 ASN B 536 -16.395 11.391 -4.702 1.00 1.38 O flip ATOM 908 ND2 ASN B 536 -17.270 11.891 -2.696 1.00 1.47 N flip ATOM 0 H ASN B 536 -17.005 8.579 -3.182 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.740 9.525 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.772 10.049 -1.768 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.498 10.980 -2.530 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -17.269 11.787 -1.681 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -17.960 12.493 -3.146 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.966 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.169 5.733 -2.025 1.00 0.00 O ATOM 919 CB LYS B 537 -13.574 6.378 0.045 1.00 0.03 C ATOM 920 CG LYS B 537 -14.224 7.371 0.993 1.00 0.81 C ATOM 921 CD LYS B 537 -15.010 6.667 2.086 1.00 1.12 C ATOM 922 CE LYS B 537 -15.692 7.662 3.009 1.00 1.82 C ATOM 923 NZ LYS B 537 -14.707 8.500 3.747 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.288 7.769 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.302 5.612 -0.222 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.757 5.875 0.562 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.457 8.001 1.444 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -14.888 8.029 0.433 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.758 6.015 1.635 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -14.341 6.031 2.665 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -16.351 8.305 2.426 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.319 7.126 3.722 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -15.020 8.617 4.732 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -13.776 8.036 3.732 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -14.636 9.433 3.293 1.00 2.50 H new ATOM 937 N ALA B 538 -13.176 5.358 -2.987 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.968 -4.969 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.442 -5.243 1.00 0.00 O ATOM 941 CB ALA B 538 -13.863 3.654 -4.596 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.551 -3.065 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.120 3.613 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.488 2.903 -5.292 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.483 3.171 -3.841 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.459 4.387 -5.140 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.087 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.056 8.092 -6.997 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.343 7.686 -7.720 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.140 8.872 -7.930 1.00 1.12 C ATOM 954 CD1 ILE B 539 -14.219 8.858 -8.110 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.490 -5.404 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.095 6.181 -7.287 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.318 8.737 -6.158 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.083 7.124 -8.617 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.914 7.015 -7.078 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.665 9.751 -8.304 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.249 9.186 -7.386 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.850 8.239 -8.768 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -15.112 8.492 -8.617 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -14.510 9.408 -7.215 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -13.667 9.518 -8.778 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.960 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.594 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.307 -3.847 1.00 0.00 O ATOM 970 CB ILE B 540 -9.299 9.227 -2.649 1.00 0.06 C ATOM 971 CG1 ILE B 540 -8.038 9.874 -2.071 1.00 1.12 C ATOM 972 CG2 ILE B 540 -9.962 8.346 -1.610 1.00 1.11 C ATOM 973 CD1 ILE B 540 -7.435 10.935 -2.968 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.198 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.444 9.109 -4.599 1.00 0.00 H new ATOM 0 HB ILE B 540 -10.002 10.013 -2.924 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -8.278 10.320 -1.106 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -7.294 9.099 -1.888 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -10.189 8.937 -0.723 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -10.885 7.934 -2.018 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -9.289 7.532 -1.341 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -6.545 11.349 -2.494 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -7.163 10.490 -3.925 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -8.163 11.730 -3.131 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.197 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.138 4.343 -3.846 1.00 0.00 C ATOM 988 O ALA B 541 -5.986 3.915 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.819 3.981 -2.026 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.151 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.122 5.305 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.258 3.086 -1.756 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.262 4.415 -1.130 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.608 3.716 -2.730 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.248 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.933 4.382 -6.567 1.00 0.00 C ATOM 998 O SER B 542 -4.943 3.783 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.177 3.581 -7.333 1.00 0.01 C ATOM 1000 OG SER B 542 -8.530 4.887 -7.751 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.588 -5.137 1.00 0.00 H new ATOM 0 HA SER B 542 -6.917 2.601 -5.902 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.734 3.037 -8.167 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.073 3.036 -7.037 1.00 0.01 H new ATOM 0 HG SER B 542 -8.535 5.488 -6.977 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.006 5.706 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.614 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.683 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.495 8.045 -6.914 1.00 0.01 C ATOM 1011 CG ASN B 543 -6.678 8.197 -7.851 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -6.788 7.487 -8.852 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -7.571 9.126 -7.533 1.00 1.80 N ATOM 0 H ASN B 543 -6.817 6.184 -6.068 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.664 6.289 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -5.792 8.337 -5.907 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -4.700 8.725 -7.222 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -8.387 9.274 -8.127 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -7.441 9.692 -6.695 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.866 6.582 -4.732 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.321 -3.817 1.00 0.00 C ATOM 1022 C ILE B 544 -2.125 4.981 -4.207 1.00 0.00 C ATOM 1023 O ILE B 544 -0.900 4.863 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.209 6.310 -2.329 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -2.001 6.010 -1.436 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -4.317 5.305 -2.082 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -2.288 6.145 0.044 1.00 1.81 C ATOM 0 H ILE B 544 -4.760 6.783 -4.284 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.069 7.142 -3.904 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.597 7.298 -2.079 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -1.654 4.997 -1.638 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -1.187 6.685 -1.702 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -4.595 5.322 -1.028 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -5.184 5.563 -2.690 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -3.970 4.307 -2.350 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -1.386 5.917 0.612 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -2.606 7.165 0.261 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.079 5.450 0.326 1.00 1.81 H new ATOM 1039 N MET B 545 -2.944 3.970 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.674 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.648 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.321 1.00 0.00 O ATOM 1043 CB MET B 545 -3.487 1.605 -4.802 1.00 0.04 C ATOM 1044 CG MET B 545 -3.963 1.098 -6.143 1.00 0.88 C ATOM 1045 SD MET B 545 -4.851 -0.455 -5.973 1.00 1.81 S ATOM 1046 CE MET B 545 -6.105 -0.009 -4.772 1.00 2.60 C ATOM 0 H MET B 545 -3.962 4.015 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.634 2.397 -4.116 1.00 0.00 H new ATOM 0 HB2 MET B 545 -3.117 0.758 -4.225 1.00 0.04 H new ATOM 0 HB3 MET B 545 -4.343 2.009 -4.262 1.00 0.04 H new ATOM 0 HG2 MET B 545 -4.611 1.842 -6.607 1.00 0.88 H new ATOM 0 HG3 MET B 545 -3.109 0.961 -6.807 1.00 0.88 H new ATOM 0 HE1 MET B 545 -6.746 -0.869 -4.579 1.00 2.60 H new ATOM 0 HE2 MET B 545 -5.626 0.302 -3.844 1.00 2.60 H new ATOM 0 HE3 MET B 545 -6.707 0.812 -5.162 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.207 3.422 -7.163 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.561 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.144 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.868 3.697 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.327 4.396 -9.405 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.674 4.557 -10.760 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.750 3.549 -11.714 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.981 5.716 -11.085 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.154 3.694 -12.953 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.384 5.869 -12.322 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.472 4.854 -13.252 1.00 1.57 C ATOM 1067 OH TYR B 546 0.122 5.002 -14.484 1.00 2.08 O ATOM 0 H TYR B 546 -3.114 3.886 -7.110 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.360 2.570 -8.851 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.304 3.931 -9.536 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.499 5.383 -8.975 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.283 2.638 -11.484 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.907 6.512 -10.358 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.222 2.902 -13.684 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.148 6.778 -12.559 1.00 1.68 H new ATOM 0 HH TYR B 546 0.560 5.877 -14.533 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.093 6.044 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.250 4.976 -6.968 1.00 0.00 O ATOM 1081 CB ILE B 547 0.794 7.282 -6.221 1.00 0.06 C ATOM 1082 CG1 ILE B 547 0.480 8.498 -7.100 1.00 0.74 C ATOM 1083 CG2 ILE B 547 1.962 7.598 -5.292 1.00 0.78 C ATOM 1084 CD1 ILE B 547 -0.766 8.345 -7.945 1.00 1.50 C ATOM 0 H ILE B 547 -0.978 5.728 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.506 6.384 -8.056 1.00 0.00 H new ATOM 0 HB ILE B 547 -0.074 7.049 -5.605 1.00 0.06 H new ATOM 0 HG12 ILE B 547 0.368 9.375 -6.462 1.00 0.74 H new ATOM 0 HG13 ILE B 547 1.330 8.688 -7.756 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.719 8.471 -4.686 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.150 6.745 -4.640 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.853 7.804 -5.885 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.917 9.248 -8.537 1.00 1.50 H new ATOM 0 HD12 ILE B 547 -0.651 7.490 -8.611 1.00 1.50 H new ATOM 0 HD13 ILE B 547 -1.628 8.187 -7.297 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.606 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 3.686 -4.639 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.644 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.478 2.341 -5.637 1.00 0.00 O ATOM 1100 CB VAL B 548 2.091 2.975 -3.434 1.00 0.03 C ATOM 1101 CG1 VAL B 548 0.890 2.156 -3.866 1.00 1.40 C ATOM 1102 CG2 VAL B 548 3.105 2.101 -2.716 1.00 1.39 C ATOM 0 H VAL B 548 0.945 4.769 -4.791 1.00 0.00 H new ATOM 0 HA VAL B 548 3.575 4.287 -4.271 1.00 0.00 H new ATOM 0 HB VAL B 548 1.743 3.741 -2.741 1.00 0.03 H new ATOM 0 HG11 VAL B 548 0.451 1.667 -2.996 1.00 1.40 H new ATOM 0 HG12 VAL B 548 0.150 2.811 -4.326 1.00 1.40 H new ATOM 0 HG13 VAL B 548 1.205 1.401 -4.587 1.00 1.40 H new ATOM 0 HG21 VAL B 548 2.626 1.608 -1.870 1.00 1.39 H new ATOM 0 HG22 VAL B 548 3.489 1.348 -3.405 1.00 1.39 H new ATOM 0 HG23 VAL B 548 3.929 2.719 -2.358 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.501 -8.347 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.702 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.425 2.318 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.948 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.223 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.047 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.264 4.646 -10.170 1.00 0.01 C ATOM 1124 CG GLN B 550 4.971 5.122 -11.427 1.00 1.12 C ATOM 1125 CD GLN B 550 4.341 6.370 -12.012 1.00 1.59 C ATOM 1126 OE1 GLN B 550 4.730 7.490 -11.680 1.00 2.25 O ATOM 1127 NE2 GLN B 550 3.356 6.185 -12.883 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.144 1.00 0.00 H new ATOM 0 HA GLN B 550 5.065 2.642 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.218 4.448 -10.406 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.278 5.447 -9.431 1.00 0.01 H new ATOM 0 HG2 GLN B 550 6.018 5.321 -11.197 1.00 1.12 H new ATOM 0 HG3 GLN B 550 4.954 4.327 -12.172 1.00 1.12 H new ATOM 0 HE21 GLN B 550 3.065 5.239 -13.130 1.00 2.27 H new ATOM 0 HE22 GLN B 550 2.891 6.989 -13.305 1.00 2.27 H new ATOM 1136 N TYR B 551 6.301 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.520 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.086 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.872 1.00 0.00 O ATOM 1140 CB TYR B 551 7.265 5.219 -6.014 1.00 0.08 C ATOM 1141 CG TYR B 551 6.994 6.486 -6.797 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.037 7.228 -7.340 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.696 6.939 -6.995 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.792 8.382 -8.060 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.444 8.092 -7.714 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.495 8.810 -8.245 1.00 2.65 C ATOM 1147 OH TYR B 551 6.247 9.959 -8.960 1.00 3.53 O ATOM 0 H TYR B 551 5.541 3.320 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.254 4.249 -7.674 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.415 5.012 -5.364 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.129 5.376 -5.369 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.055 6.897 -7.197 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.870 6.381 -6.580 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.614 8.946 -8.476 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.428 8.429 -7.859 1.00 1.91 H new ATOM 0 HH TYR B 551 5.281 10.119 -8.998 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.747 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.116 0.635 -6.028 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.051 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.617 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.467 -0.355 -7.142 1.00 0.01 C ATOM 1162 CG PRO B 552 8.548 -0.015 -8.268 1.00 0.46 C ATOM 1163 CD PRO B 552 8.322 1.469 -8.188 1.00 0.02 C ATOM 0 HA PRO B 552 8.456 0.232 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.510 -0.258 -7.442 1.00 0.01 H new ATOM 0 HB3 PRO B 552 9.324 -1.385 -6.814 1.00 0.01 H new ATOM 0 HG2 PRO B 552 8.987 -0.291 -9.227 1.00 0.46 H new ATOM 0 HG3 PRO B 552 7.607 -0.558 -8.180 1.00 0.46 H new ATOM 0 HD2 PRO B 552 9.043 2.021 -8.791 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.330 1.747 -8.544 1.00 0.02 H new ATOM 1171 N ARG B 553 11.201 1.914 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.260 -5.258 1.00 0.00 C ATOM 1173 C ARG B 553 12.268 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.911 1.00 0.00 O ATOM 1175 CB ARG B 553 13.210 3.299 -6.114 1.00 0.01 C ATOM 1176 CG ARG B 553 13.489 2.826 -7.531 1.00 1.17 C ATOM 1177 CD ARG B 553 14.074 3.935 -8.388 1.00 1.73 C ATOM 1178 NE ARG B 553 14.325 3.491 -9.757 1.00 2.26 N ATOM 1179 CZ ARG B 553 14.826 4.275 -10.708 1.00 3.06 C ATOM 1180 NH1 ARG B 553 15.126 5.539 -10.439 1.00 3.50 N ATOM 1181 NH2 ARG B 553 15.026 3.796 -11.928 1.00 3.87 N ATOM 0 H ARG B 553 11.005 2.382 -6.746 1.00 0.00 H new ATOM 0 HA ARG B 553 13.101 1.364 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG B 553 12.611 4.209 -6.154 1.00 0.01 H new ATOM 0 HB3 ARG B 553 14.153 3.559 -5.633 1.00 0.01 H new ATOM 0 HG2 ARG B 553 14.180 1.984 -7.504 1.00 1.17 H new ATOM 0 HG3 ARG B 553 12.565 2.466 -7.983 1.00 1.17 H new ATOM 0 HD2 ARG B 553 13.389 4.783 -8.401 1.00 1.73 H new ATOM 0 HD3 ARG B 553 15.006 4.284 -7.943 1.00 1.73 H new ATOM 0 HE ARG B 553 14.104 2.525 -9.997 1.00 2.26 H new ATOM 0 HH11 ARG B 553 14.973 5.911 -9.502 1.00 3.50 H new ATOM 0 HH12 ARG B 553 15.510 6.139 -11.169 1.00 3.50 H new ATOM 0 HH21 ARG B 553 14.796 2.825 -12.139 1.00 3.87 H new ATOM 0 HH22 ARG B 553 15.410 4.399 -12.656 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.770 4.142 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.405 2.962 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.935 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.542 5.031 -2.640 1.00 0.03 C ATOM 1200 CG PHE B 554 9.071 5.693 -1.376 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.732 6.800 -0.866 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.959 5.212 -0.702 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.295 7.411 0.294 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.518 5.820 0.457 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.213 6.914 0.970 1.00 0.48 C ATOM 0 H PHE B 554 10.864 4.153 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.557 4.715 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.777 5.798 -3.378 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.731 4.430 -3.052 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.598 7.189 -1.381 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.432 4.352 -1.088 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.809 8.284 0.669 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.639 5.450 0.963 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.899 7.368 1.898 1.00 0.48 H new ATOM 1215 N LEU B 555 9.492 2.113 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.957 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.113 -0.795 1.00 0.00 C ATOM 1218 O LEU B 555 10.322 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.055 0.118 -2.050 1.00 0.03 C ATOM 1220 CG LEU B 555 6.704 0.776 -2.328 1.00 0.54 C ATOM 1221 CD1 LEU B 555 5.864 -0.105 -3.239 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.968 1.053 -1.024 1.00 1.34 C ATOM 0 H LEU B 555 9.054 2.206 -2.903 1.00 0.00 H new ATOM 0 HA LEU B 555 8.509 1.318 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.527 -0.122 -3.003 1.00 0.03 H new ATOM 0 HB3 LEU B 555 7.882 -0.826 -1.533 1.00 0.03 H new ATOM 0 HG LEU B 555 6.878 1.727 -2.832 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.905 0.377 -3.428 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.387 -0.255 -4.184 1.00 1.49 H new ATOM 0 HD13 LEU B 555 5.697 -1.070 -2.760 1.00 1.49 H new ATOM 0 HD21 LEU B 555 5.008 1.522 -1.241 1.00 1.34 H new ATOM 0 HD22 LEU B 555 5.803 0.115 -0.493 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.566 1.721 -0.403 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.755 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.350 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.083 -1.098 -2.808 1.00 0.02 C ATOM 1239 CG ARG B 556 12.434 -1.915 -3.913 1.00 1.02 C ATOM 1240 CD ARG B 556 13.415 -2.215 -5.034 1.00 1.14 C ATOM 1241 NE ARG B 556 14.103 -1.013 -5.498 1.00 1.74 N ATOM 1242 CZ ARG B 556 15.045 -1.017 -6.437 1.00 2.13 C ATOM 1243 NH1 ARG B 556 15.401 -2.154 -7.019 1.00 1.99 N ATOM 1244 NH2 ARG B 556 15.629 0.118 -6.795 1.00 3.09 N ATOM 0 H ARG B 556 10.984 0.163 -2.713 1.00 0.00 H new ATOM 0 HA ARG B 556 11.862 -1.992 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG B 556 13.272 -0.090 -3.177 1.00 0.02 H new ATOM 0 HB3 ARG B 556 14.051 -1.536 -2.566 1.00 0.02 H new ATOM 0 HG2 ARG B 556 12.054 -2.850 -3.501 1.00 1.02 H new ATOM 0 HG3 ARG B 556 11.578 -1.372 -4.313 1.00 1.02 H new ATOM 0 HD2 ARG B 556 14.150 -2.942 -4.687 1.00 1.14 H new ATOM 0 HD3 ARG B 556 12.883 -2.673 -5.868 1.00 1.14 H new ATOM 0 HE ARG B 556 13.846 -0.120 -5.078 1.00 1.74 H new ATOM 0 HH11 ARG B 556 14.952 -3.029 -6.747 1.00 1.99 H new ATOM 0 HH12 ARG B 556 16.124 -2.154 -7.739 1.00 1.99 H new ATOM 0 HH21 ARG B 556 15.356 0.994 -6.350 1.00 3.09 H new ATOM 0 HH22 ARG B 556 16.351 0.115 -7.515 1.00 3.09 H new ATOM 1258 N ALA B 557 13.237 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.837 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.433 2.181 1.00 0.00 C ATOM 1261 O ALA B 557 14.030 1.659 3.196 1.00 0.00 O ATOM 1262 CB ALA B 557 14.619 2.699 0.415 1.00 0.00 C ATOM 0 H ALA B 557 12.747 1.474 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.939 0.649 0.967 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.260 3.103 1.199 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.191 2.602 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.778 3.373 0.251 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.190 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.361 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.573 1.00 0.00 O ATOM 1272 CB HIS B 558 10.471 2.694 3.410 1.00 0.08 C ATOM 1273 CG HIS B 558 10.035 3.160 4.766 1.00 1.15 C ATOM 1274 ND1 HIS B 558 8.922 3.947 4.970 1.00 2.12 N ATOM 1275 CD2 HIS B 558 10.571 2.947 5.992 1.00 2.10 C ATOM 1276 CE1 HIS B 558 8.792 4.199 6.261 1.00 2.93 C ATOM 1277 NE2 HIS B 558 9.779 3.604 6.902 1.00 2.91 N ATOM 0 H HIS B 558 11.502 1.039 1.366 1.00 0.00 H new ATOM 0 HA HIS B 558 12.026 1.426 4.244 1.00 0.00 H new ATOM 0 HB2 HIS B 558 11.064 3.478 2.939 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.590 2.542 2.786 1.00 0.08 H new ATOM 0 HD2 HIS B 558 11.456 2.369 6.213 1.00 2.10 H new ATOM 0 HE1 HIS B 558 8.011 4.791 6.714 1.00 2.93 H new ATOM 0 HE2 HIS B 558 9.930 3.628 7.910 1.00 2.91 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.120 4.519 1.00 0.00 C ATOM 1288 C TRP B 559 8.849 -1.962 5.322 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.058 -3.136 5.223 1.00 0.02 C ATOM 1291 CG TRP B 559 11.768 -2.578 6.422 1.00 1.09 C ATOM 1292 CD1 TRP B 559 11.357 -2.644 7.724 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.017 -1.873 6.432 1.00 1.54 C ATOM 1294 NE1 TRP B 559 12.271 -2.021 8.539 1.00 2.97 N ATOM 1295 CE2 TRP B 559 13.299 -1.540 7.769 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.924 -1.491 5.438 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 14.447 -0.844 8.139 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.063 -0.800 5.805 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.316 -0.483 7.146 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.949 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.832 -2.456 3.534 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.457 -3.991 5.532 1.00 0.02 H new ATOM 0 HB3 TRP B 559 11.797 -3.506 4.513 1.00 0.02 H new ATOM 0 HD1 TRP B 559 10.447 -3.117 8.063 1.00 2.27 H new ATOM 0 HE1 TRP B 559 12.197 -1.931 9.552 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.737 -1.732 4.402 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 14.644 -0.598 9.172 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.770 -0.499 5.046 1.00 2.76 H new ATOM 0 HH2 TRP B 559 16.216 0.057 7.401 1.00 3.08 H new ATOM 1310 N LYS B 560 8.927 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.765 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.494 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.679 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.146 -0.132 8.472 1.00 0.01 C ATOM 1315 CG LYS B 560 6.961 0.308 9.324 1.00 1.26 C ATOM 1316 CD LYS B 560 6.289 -0.870 10.015 1.00 1.83 C ATOM 1317 CE LYS B 560 7.211 -1.526 11.030 1.00 2.58 C ATOM 1318 NZ LYS B 560 7.664 -0.564 12.073 1.00 3.32 N ATOM 0 H LYS B 560 9.784 -0.806 6.774 1.00 0.00 H new ATOM 0 HA LYS B 560 7.420 -1.987 7.647 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.853 -0.671 9.103 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.662 0.754 8.101 1.00 0.01 H new ATOM 0 HG2 LYS B 560 7.299 1.024 10.073 1.00 1.26 H new ATOM 0 HG3 LYS B 560 6.234 0.823 8.696 1.00 1.26 H new ATOM 0 HD2 LYS B 560 5.381 -0.530 10.514 1.00 1.83 H new ATOM 0 HD3 LYS B 560 5.987 -1.605 9.269 1.00 1.83 H new ATOM 0 HE2 LYS B 560 6.693 -2.359 11.505 1.00 2.58 H new ATOM 0 HE3 LYS B 560 8.079 -1.941 10.517 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 8.088 -1.086 12.866 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 8.371 0.081 11.666 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 6.850 -0.015 12.415 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.520 5.570 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.093 3.656 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.417 2.367 4.059 1.00 0.03 C ATOM 1337 CG PHE B 561 5.314 3.301 3.655 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.632 3.118 2.464 1.00 0.95 C ATOM 1339 CD2 PHE B 561 4.959 4.361 4.473 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.615 3.976 2.095 1.00 1.18 C ATOM 1341 CE2 PHE B 561 3.942 5.223 4.109 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.270 5.030 2.918 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.855 5.388 1.00 0.00 H new ATOM 0 HA PHE B 561 5.068 1.323 5.374 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.091 2.886 4.741 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.999 2.101 3.177 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.898 2.295 1.817 1.00 0.95 H new ATOM 0 HD2 PHE B 561 5.482 4.515 5.405 1.00 0.98 H new ATOM 0 HE1 PHE B 561 3.090 3.823 1.164 1.00 1.18 H new ATOM 0 HE2 PHE B 561 3.673 6.046 4.755 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.475 5.703 2.631 1.00 1.14 H new ATOM 1352 N LEU B 562 6.374 -0.579 2.996 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.622 2.037 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.985 -2.805 2.117 1.00 0.00 O ATOM 1356 CB LEU B 562 7.337 -2.345 1.597 1.00 0.03 C ATOM 1357 CG LEU B 562 7.122 -3.530 0.652 1.00 0.45 C ATOM 1358 CD1 LEU B 562 6.535 -3.064 -0.672 1.00 1.32 C ATOM 1359 CD2 LEU B 562 8.431 -4.271 0.425 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.411 3.115 1.00 0.00 H new ATOM 0 HA LEU B 562 5.602 -1.160 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 562 7.993 -1.625 1.108 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.859 -2.700 2.486 1.00 0.03 H new ATOM 0 HG LEU B 562 6.412 -4.215 1.116 1.00 0.45 H new ATOM 0 HD11 LEU B 562 6.391 -3.922 -1.328 1.00 1.32 H new ATOM 0 HD12 LEU B 562 5.576 -2.578 -0.494 1.00 1.32 H new ATOM 0 HD13 LEU B 562 7.218 -2.357 -1.144 1.00 1.32 H new ATOM 0 HD21 LEU B 562 8.262 -5.111 -0.249 1.00 1.23 H new ATOM 0 HD22 LEU B 562 9.161 -3.593 -0.017 1.00 1.23 H new ATOM 0 HD23 LEU B 562 8.810 -4.641 1.378 1.00 1.23 H new ATOM 1371 N LYS B 563 5.468 -3.250 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.216 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.694 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.432 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.241 -4.644 5.764 1.00 0.03 C ATOM 1376 CG LYS B 563 4.512 -5.792 6.448 1.00 1.29 C ATOM 1377 CD LYS B 563 5.154 -6.156 7.780 1.00 1.53 C ATOM 1378 CE LYS B 563 6.598 -6.604 7.604 1.00 2.10 C ATOM 1379 NZ LYS B 563 7.232 -6.960 8.904 1.00 2.74 N ATOM 0 H LYS B 563 6.377 -3.113 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.498 -5.065 3.768 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.274 -4.939 5.579 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.270 -3.789 6.439 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.470 -5.516 6.610 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.512 -6.664 5.794 1.00 1.29 H new ATOM 0 HD2 LYS B 563 5.119 -5.296 8.448 1.00 1.53 H new ATOM 0 HD3 LYS B 563 4.581 -6.952 8.255 1.00 1.53 H new ATOM 0 HE2 LYS B 563 6.632 -7.465 6.936 1.00 2.10 H new ATOM 0 HE3 LYS B 563 7.170 -5.808 7.127 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 8.262 -7.029 8.780 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 7.016 -6.226 9.608 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 6.861 -7.874 9.232 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.411 5.074 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.782 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.221 1.00 0.00 C ATOM 1396 O THR B 564 -0.273 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.030 -0.428 6.159 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.924 0.404 5.414 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.566 -0.628 7.568 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.782 5.111 1.00 0.00 H new ATOM 0 HA THR B 564 1.349 -2.454 6.156 1.00 0.00 H new ATOM 0 HB THR B 564 1.058 0.061 6.222 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.194 -0.058 4.593 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.696 0.342 8.049 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.861 -1.227 8.144 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.526 -1.142 7.522 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.117 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.840 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.604 0.858 1.00 0.00 O ATOM 1411 CB VAL B 565 1.798 -0.557 0.754 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.076 -0.501 -0.586 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.280 0.826 1.168 1.00 1.18 C ATOM 0 H VAL B 565 2.561 -0.972 3.078 1.00 0.00 H new ATOM 0 HA VAL B 565 0.028 -0.486 1.996 1.00 0.00 H new ATOM 0 HB VAL B 565 2.666 -1.206 0.640 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.742 -0.082 -1.341 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.780 -1.507 -0.882 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.189 0.126 -0.496 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.928 1.233 0.392 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.422 1.484 1.306 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.836 0.753 2.103 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.561 1.548 1.00 0.00 N ATOM 1424 CA VAL B 566 0.755 -4.879 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.385 -5.447 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.413 -5.872 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.944 -5.870 1.001 1.00 0.04 C ATOM 1428 CG1 VAL B 566 2.501 -6.182 2.378 1.00 1.36 C ATOM 1429 CG2 VAL B 566 1.532 -7.144 0.284 1.00 1.36 C ATOM 0 H VAL B 566 2.054 -3.526 2.014 1.00 0.00 H new ATOM 0 HA VAL B 566 0.403 -4.748 0.043 1.00 0.00 H new ATOM 0 HB VAL B 566 2.742 -5.389 0.434 1.00 0.04 H new ATOM 0 HG11 VAL B 566 3.333 -6.880 2.284 1.00 1.36 H new ATOM 0 HG12 VAL B 566 2.851 -5.262 2.846 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.720 -6.628 2.994 1.00 1.36 H new ATOM 0 HG21 VAL B 566 2.378 -7.830 0.246 1.00 1.36 H new ATOM 0 HG22 VAL B 566 0.708 -7.613 0.821 1.00 1.36 H new ATOM 0 HG23 VAL B 566 1.214 -6.904 -0.731 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.204 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.295 -5.755 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.673 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.872 -5.511 5.568 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.978 -5.829 6.558 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -2.819 -6.800 6.221 1.00 1.94 O flip ATOM 1446 ND2 ASN B 567 -2.074 -5.208 7.618 1.00 1.91 N flip ATOM 0 H ASN B 567 0.678 -5.205 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.532 -6.809 3.977 1.00 0.00 H new ATOM 0 HB2 ASN B 567 0.002 -6.122 5.796 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.572 -4.470 5.685 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -1.407 -4.469 7.838 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -2.821 -5.433 8.275 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.681 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.540 -2.831 3.120 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.801 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.121 -1.359 3.067 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.276 -0.394 3.282 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.828 -0.490 4.696 1.00 1.74 C ATOM 1460 CE LYS B 568 -6.039 0.409 4.883 1.00 2.68 C ATOM 1461 NZ LYS B 568 -6.623 0.278 6.247 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.229 3.316 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.281 -2.944 3.912 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.360 -1.178 3.826 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.662 -1.154 2.100 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -3.940 0.625 3.090 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -5.069 -0.609 2.566 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -5.103 -1.523 4.911 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -4.053 -0.211 5.410 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -5.752 1.446 4.709 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -6.795 0.159 4.139 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -7.447 0.907 6.334 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -6.921 -0.706 6.404 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -5.910 0.541 6.957 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.316 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.776 -4.229 -0.392 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.515 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.597 -4.517 -1.324 1.00 0.05 C ATOM 1480 CG LEU B 569 -1.927 -3.285 -1.932 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -0.674 -3.690 -2.690 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -2.891 -2.551 -2.851 1.00 1.89 C ATOM 0 H LEU B 569 -2.306 -3.777 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.401 -3.472 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.847 -5.081 -0.770 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.944 -5.158 -2.134 1.00 0.05 H new ATOM 0 HG LEU B 569 -1.644 -2.610 -1.125 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -0.206 -2.804 -3.119 1.00 2.01 H new ATOM 0 HD12 LEU B 569 0.024 -4.175 -2.007 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -0.940 -4.382 -3.489 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -2.396 -1.677 -3.274 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -3.204 -3.216 -3.656 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -3.765 -2.233 -2.282 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.158 -6.321 0.813 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.147 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.697 1.00 0.00 C ATOM 1497 O PHE B 570 -7.227 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.082 -8.379 2.167 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.907 -9.113 1.582 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -3.073 -9.969 0.506 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.638 -8.952 2.116 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.994 -10.650 -0.029 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.557 -9.628 1.585 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.735 -10.478 0.511 1.00 3.77 C ATOM 0 H PHE B 570 -3.328 -6.144 1.379 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.977 -8.145 0.238 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.728 -7.719 2.958 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.754 -9.101 2.631 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -4.056 -10.106 0.080 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.493 -8.290 2.957 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -2.136 -11.315 -0.868 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.427 -9.492 2.009 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.109 -11.007 0.094 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.313 -6.169 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.871 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.949 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.425 -4.507 3.921 1.00 0.01 C ATOM 1519 CG GLU B 571 -6.607 -4.775 5.175 1.00 1.13 C ATOM 1520 CD GLU B 571 -7.228 -5.835 6.064 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -8.061 -5.476 6.922 1.00 1.97 O ATOM 1522 OE2 GLU B 571 -6.881 -7.024 5.901 1.00 2.47 O ATOM 0 H GLU B 571 -5.513 -5.615 2.811 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.020 -6.546 3.618 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.945 -3.714 3.347 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -8.409 -4.139 4.212 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -5.603 -5.089 4.889 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -6.502 -3.849 5.740 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.552 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.132 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.282 -1.088 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.083 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.278 -3.045 -0.963 1.00 0.03 C ATOM 1534 CG PHE B 572 -7.840 -1.851 -0.159 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -8.643 -1.335 0.849 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -6.623 -1.243 -0.417 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -8.237 -0.237 1.582 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.213 -0.144 0.312 1.00 1.21 C ATOM 1539 CZ PHE B 572 -7.021 0.360 1.313 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.137 0.951 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.883 -3.748 0.324 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.406 -3.479 -1.453 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.954 -2.711 -1.750 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -9.596 -1.797 1.062 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -5.987 -1.633 -1.198 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -8.870 0.154 2.365 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -5.262 0.321 0.100 1.00 1.21 H new ATOM 0 HZ PHE B 572 -6.702 1.219 1.884 1.00 0.99 H new ATOM 1549 N MET B 573 -8.818 -6.467 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.589 -1.780 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.157 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.111 -9.053 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.117 -8.671 -1.746 1.00 0.03 C ATOM 1554 CG MET B 573 -6.804 -8.244 -2.377 1.00 0.87 C ATOM 1555 SD MET B 573 -5.538 -9.524 -2.278 1.00 1.42 S ATOM 1556 CE MET B 573 -4.143 -8.684 -3.026 1.00 2.11 C ATOM 0 H MET B 573 -8.087 -6.669 -0.262 1.00 0.00 H new ATOM 0 HA MET B 573 -9.304 -7.243 -2.808 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.936 -8.958 -0.710 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.487 -9.557 -2.262 1.00 0.03 H new ATOM 0 HG2 MET B 573 -6.974 -7.987 -3.422 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.443 -7.343 -1.882 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.280 -9.350 -3.037 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.395 -8.399 -4.048 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.904 -7.791 -2.449 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.995 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.309 -7.938 0.328 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.435 -6.875 0.561 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.199 -8.370 1.801 1.00 0.02 C ATOM 1571 CG HIS B 574 -12.750 -7.384 2.790 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -12.146 -6.176 3.074 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -13.861 -7.435 3.565 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -12.860 -5.529 3.977 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -13.905 -6.271 4.291 1.00 3.20 N ATOM 0 H HIS B 574 -10.481 -6.928 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.707 -8.770 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -12.721 -9.319 1.926 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -11.150 -8.550 2.035 1.00 0.02 H new ATOM 0 HD1 HIS B 574 -11.282 -5.836 2.652 1.00 2.28 H new ATOM 0 HD2 HIS B 574 -14.578 -8.242 3.604 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -12.628 -4.558 4.389 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.670 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.500 -0.648 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.803 -1.744 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.751 -3.299 -1.039 1.00 0.02 C ATOM 1589 CG GLU B 575 -12.137 -2.582 0.151 1.00 0.96 C ATOM 1590 CD GLU B 575 -13.182 -2.064 1.119 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.776 -1.002 0.839 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -13.408 -2.720 2.157 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.564 -0.668 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.149 -4.251 0.267 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.954 -3.634 -1.702 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -13.360 -2.593 -1.604 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -11.467 -3.263 0.675 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -11.531 -1.749 -0.204 1.00 0.96 H new ATOM 1599 N THR B 576 -15.880 -4.490 -1.486 1.00 0.00 N ATOM 1600 CA THR B 576 -16.918 -4.801 -2.450 1.00 0.00 C ATOM 1601 C THR B 576 -17.120 -3.694 -3.487 1.00 0.00 C ATOM 1602 O THR B 576 -17.652 -3.946 -4.570 1.00 0.00 O ATOM 1603 CB THR B 576 -18.261 -5.073 -1.751 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.653 -3.932 -0.980 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.164 -6.293 -0.847 1.00 1.40 C ATOM 0 H THR B 576 -16.203 -4.030 -0.635 1.00 0.00 H new ATOM 0 HA THR B 576 -16.577 -5.697 -2.970 1.00 0.00 H new ATOM 0 HB THR B 576 -19.011 -5.267 -2.518 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.510 -4.113 -0.540 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.126 -6.465 -0.364 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.895 -7.166 -1.442 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.401 -6.123 -0.087 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.702 -2.474 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.349 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.546 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.435 -0.051 -3.447 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.944 1.179 -4.133 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -17.945 1.971 -3.612 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -16.588 1.752 -5.308 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -18.184 2.976 -4.437 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.373 2.867 -5.473 1.00 2.79 N ATOM 0 H HIS B 577 -16.197 -2.239 -2.315 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.032 -1.291 -4.210 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.724 -0.019 -2.397 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.345 -0.051 -3.478 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -15.828 1.398 -5.989 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -18.918 3.754 -4.289 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -17.335 3.507 -6.267 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.695 -7.859 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.002 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.794 -1.117 -8.829 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.906 0.392 -8.724 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -18.695 0.872 -7.884 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -17.205 1.093 -9.484 1.00 2.15 O ATOM 0 H ASP B 578 -18.089 -1.026 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.731 -2.782 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.522 -1.388 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -18.767 -1.566 -8.628 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.082 -8.723 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.190 -1.721 -9.220 1.00 0.00 C ATOM 1645 C GLY B 579 -12.038 -1.884 -8.242 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.213 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -3.078 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.979 -2.326 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.219 -0.681 -9.546 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.635 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.660 -5.945 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.961 -5.925 1.00 0.00 C ATOM 1653 O VAL B 580 -9.240 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.866 -1.428 -4.544 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.772 -1.377 -3.487 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.693 -0.150 -4.523 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.411 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.579 -0.852 -6.203 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.523 -2.266 -4.312 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.220 -1.213 -2.507 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.226 -2.320 -3.483 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.085 -0.561 -3.713 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.110 -0.003 -3.527 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -12.059 0.698 -4.780 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.504 -0.229 -5.247 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.085 -5.982 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.396 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.562 -5.580 -7.142 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.117 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.580 -6.507 -5.980 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.575 -6.391 -7.122 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.566 -7.540 -7.151 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.325 -8.566 -7.787 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.688 -7.371 -6.460 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.118 -6.039 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.942 -5.453 -5.049 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.076 -7.471 -6.045 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -12.122 -6.494 -5.035 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -13.118 -5.450 -7.032 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.035 -6.358 -8.068 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -14.845 -6.503 -5.947 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -15.392 -8.109 -6.442 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.322 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.102 -5.107 -9.473 1.00 0.00 C ATOM 1685 C ASP B 582 -7.887 -4.202 -9.244 1.00 0.00 C ATOM 1686 O ASP B 582 -6.775 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.874 -4.636 -10.707 1.00 0.00 C ATOM 1688 CG ASP B 582 -10.970 -5.603 -11.109 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -10.662 -6.598 -11.797 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -12.138 -5.366 -10.735 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.504 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.732 -6.120 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.312 -3.658 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -9.181 -4.510 -11.539 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.034 -8.640 1.00 0.00 N ATOM 1696 CA MET B 583 -7.012 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.836 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.842 -7.540 1.00 0.00 O ATOM 1699 CB MET B 583 -7.557 -0.854 -7.686 1.00 0.02 C ATOM 1700 CG MET B 583 -8.542 -0.120 -8.583 1.00 1.14 C ATOM 1701 SD MET B 583 -7.763 0.603 -10.043 1.00 1.87 S ATOM 1702 CE MET B 583 -7.888 -0.751 -11.209 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.686 -8.387 1.00 0.00 H new ATOM 0 HA MET B 583 -6.455 -1.903 -9.195 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.045 -1.085 -6.739 1.00 0.02 H new ATOM 0 HB3 MET B 583 -6.722 -0.190 -7.461 1.00 0.02 H new ATOM 0 HG2 MET B 583 -9.322 -0.812 -8.899 1.00 1.14 H new ATOM 0 HG3 MET B 583 -9.029 0.669 -8.010 1.00 1.14 H new ATOM 0 HE1 MET B 583 -6.904 -1.196 -11.356 1.00 2.58 H new ATOM 0 HE2 MET B 583 -8.573 -1.504 -10.820 1.00 2.58 H new ATOM 0 HE3 MET B 583 -8.263 -0.377 -12.162 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.265 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.059 -5.233 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.143 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.735 -5.231 -5.459 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.709 -4.644 -4.153 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.100 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.172 -3.295 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.094 -5.119 -3.389 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.300 -3.848 -3.700 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.376 -5.385 -4.595 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.453 -5.954 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.046 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.636 -6.556 -8.266 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.049 -8.285 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.594 -8.062 -7.949 1.00 0.01 C ATOM 1727 SG CYS B 585 -6.743 -8.883 -6.821 1.00 1.50 S ATOM 0 H CYS B 585 -6.406 -5.876 -7.075 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.149 -7.522 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.165 -7.557 -8.728 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -4.982 -8.818 -8.441 1.00 0.01 H new ATOM 0 HG CYS B 585 -7.731 -8.083 -6.549 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.489 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.949 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.886 -3.983 -10.949 1.00 0.01 C ATOM 1738 CG ASP B 586 -4.910 -4.609 -11.877 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -4.605 -5.664 -12.472 1.00 0.87 O ATOM 1740 OD2 ASP B 586 -6.016 -4.043 -12.011 1.00 1.98 O ATOM 0 H ASP B 586 -4.962 -5.186 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.817 -5.844 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.385 -3.276 -10.286 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -3.167 -3.414 -11.538 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.073 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.573 -2.056 -6.585 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.269 -0.973 -7.205 1.00 1.24 O ATOM 1751 CG2 THR B 587 -0.446 -1.508 -5.722 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.372 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.429 -2.416 -8.360 1.00 0.00 H new ATOM 0 HB THR B 587 -2.252 -2.619 -5.944 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.230 -1.061 -7.034 1.00 1.24 H new ATOM 0 HG21 THR B 587 -0.859 -0.841 -4.965 1.00 1.30 H new ATOM 0 HG22 THR B 587 0.073 -2.333 -5.235 1.00 1.30 H new ATOM 0 HG23 THR B 587 0.256 -0.956 -6.347 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.813 -5.108 -6.514 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.176 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.883 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.342 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.085 -7.193 -5.253 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.429 -8.328 -4.519 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.053 -8.151 -3.233 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.294 -9.571 -5.117 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.658 -9.193 -2.555 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.310 -10.616 -4.444 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.782 -10.430 -3.161 1.00 0.53 C ATOM 0 H PHE B 588 -1.824 -5.233 -6.555 1.00 0.00 H new ATOM 0 HA PHE B 588 0.473 -5.729 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.767 -6.680 -4.575 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.689 -7.598 -6.065 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.045 -7.188 -2.754 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.665 -9.725 -6.120 1.00 0.45 H new ATOM 0 HE1 PHE B 588 1.033 -9.041 -1.554 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.413 -11.579 -4.923 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.247 -11.248 -2.631 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.699 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.718 -8.214 -10.179 1.00 0.03 C ATOM 1784 CG1 ILE B 589 1.648 -9.140 -10.964 1.00 1.34 C ATOM 1785 CG2 ILE B 589 0.255 -7.061 -11.054 1.00 1.31 C ATOM 1786 CD1 ILE B 589 1.950 -10.440 -10.250 1.00 1.97 C ATOM 0 H ILE B 589 -0.276 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.752 -8.577 -8.346 1.00 0.00 H new ATOM 0 HB ILE B 589 -0.163 -8.777 -9.873 1.00 0.03 H new ATOM 0 HG12 ILE B 589 1.195 -9.362 -11.930 1.00 1.34 H new ATOM 0 HG13 ILE B 589 2.584 -8.618 -11.163 1.00 1.34 H new ATOM 0 HG21 ILE B 589 -0.238 -7.454 -11.943 1.00 1.31 H new ATOM 0 HG22 ILE B 589 -0.445 -6.439 -10.496 1.00 1.31 H new ATOM 0 HG23 ILE B 589 1.115 -6.462 -11.351 1.00 1.31 H new ATOM 0 HD11 ILE B 589 2.615 -11.047 -10.865 1.00 1.97 H new ATOM 0 HD12 ILE B 589 2.432 -10.228 -9.296 1.00 1.97 H new ATOM 0 HD13 ILE B 589 1.021 -10.983 -10.075 1.00 1.97 H new ATOM 1798 N LYS B 590 2.394 -5.545 -9.460 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.479 -4.704 -8.595 1.00 0.00 C ATOM 1801 O LYS B 590 5.668 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.933 -3.182 -9.863 1.00 0.01 C ATOM 1803 CG LYS B 590 1.915 -3.006 -10.977 1.00 0.99 C ATOM 1804 CD LYS B 590 1.346 -1.596 -10.991 1.00 1.52 C ATOM 1805 CE LYS B 590 0.321 -1.418 -12.099 1.00 2.04 C ATOM 1806 NZ LYS B 590 0.912 -1.658 -13.445 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.121 -9.415 1.00 0.00 H new ATOM 0 HA LYS B 590 3.947 -4.861 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.476 -2.893 -8.916 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.768 -2.502 -10.035 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.384 -3.220 -11.937 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.106 -3.725 -10.850 1.00 0.99 H new ATOM 0 HD2 LYS B 590 0.883 -1.380 -10.028 1.00 1.52 H new ATOM 0 HD3 LYS B 590 2.155 -0.878 -11.124 1.00 1.52 H new ATOM 0 HE2 LYS B 590 -0.510 -2.105 -11.939 1.00 2.04 H new ATOM 0 HE3 LYS B 590 -0.088 -0.409 -12.057 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 0.257 -1.318 -14.178 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 1.815 -1.147 -13.524 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 1.078 -2.676 -13.575 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.617 -7.375 1.00 0.00 N ATOM 1821 CA ILE B 591 4.790 -4.623 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.937 -5.969 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.939 -4.328 -4.913 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.316 -2.932 -5.024 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.786 -4.442 -3.652 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.418 -2.568 -3.863 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.539 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 591 5.526 -3.830 -6.298 1.00 0.00 H new ATOM 0 HB ILE B 591 3.138 -5.064 -4.849 1.00 0.04 H new ATOM 0 HG12 ILE B 591 4.114 -2.193 -5.099 1.00 1.27 H new ATOM 0 HG13 ILE B 591 2.741 -2.874 -5.948 1.00 1.27 H new ATOM 0 HG21 ILE B 591 4.169 -4.231 -2.779 1.00 1.28 H new ATOM 0 HG22 ILE B 591 5.190 -5.451 -3.575 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.606 -3.726 -3.699 1.00 1.28 H new ATOM 0 HD11 ILE B 591 2.015 -1.566 -4.014 1.00 1.96 H new ATOM 0 HD12 ILE B 591 1.598 -3.283 -3.799 1.00 1.96 H new ATOM 0 HD13 ILE B 591 2.993 -2.592 -2.937 1.00 1.96 H new ATOM 1839 N ALA B 592 4.878 -7.058 -6.186 1.00 0.00 N ATOM 1840 CA ALA B 592 5.546 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.084 -6.797 1.00 0.00 O ATOM 1843 CB ALA B 592 4.526 -9.477 -6.197 1.00 0.00 C ATOM 0 H ALA B 592 3.891 -7.103 -6.438 1.00 0.00 H new ATOM 0 HA ALA B 592 6.015 -8.393 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.031 -10.439 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.783 -9.385 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.032 -9.413 -7.167 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.333 1.00 0.00 N ATOM 1850 CA GLN B 593 7.524 -8.107 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.824 1.00 0.00 C ATOM 1852 O GLN B 593 9.756 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.034 -7.617 -10.676 1.00 0.01 C ATOM 1854 CG GLN B 593 8.082 -7.719 -11.774 1.00 1.09 C ATOM 1855 CD GLN B 593 8.548 -9.143 -12.005 1.00 1.64 C ATOM 1856 OE1 GLN B 593 9.508 -9.603 -11.387 1.00 2.36 O ATOM 1857 NE2 GLN B 593 7.867 -9.851 -12.899 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.667 1.00 0.00 H new ATOM 0 HA GLN B 593 7.862 -9.138 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.158 -8.196 -10.967 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.714 -6.579 -10.586 1.00 0.01 H new ATOM 0 HG2 GLN B 593 7.671 -7.320 -12.701 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.939 -7.098 -11.512 1.00 1.09 H new ATOM 0 HE21 GLN B 593 7.077 -9.430 -13.389 1.00 2.26 H new ATOM 0 HE22 GLN B 593 8.134 -10.816 -13.096 1.00 2.26 H new ATOM 1866 N LYS B 594 8.488 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.501 -4.952 -8.484 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.100 -7.090 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.648 -6.895 1.00 0.00 O ATOM 1870 CB LYS B 594 8.933 -3.541 -8.634 1.00 0.01 C ATOM 1871 CG LYS B 594 9.249 -2.905 -9.980 1.00 0.52 C ATOM 1872 CD LYS B 594 8.561 -3.629 -11.126 1.00 1.21 C ATOM 1873 CE LYS B 594 7.079 -3.300 -11.182 1.00 1.59 C ATOM 1874 NZ LYS B 594 6.843 -1.842 -11.367 1.00 2.19 N ATOM 0 H LYS B 594 7.594 -5.510 -9.097 1.00 0.00 H new ATOM 0 HA LYS B 594 10.314 -5.146 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.852 -3.576 -8.501 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.331 -2.910 -7.839 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.936 -1.861 -9.970 1.00 0.52 H new ATOM 0 HG3 LYS B 594 10.327 -2.913 -10.141 1.00 0.52 H new ATOM 0 HD2 LYS B 594 9.032 -3.351 -12.069 1.00 1.21 H new ATOM 0 HD3 LYS B 594 8.692 -4.705 -11.009 1.00 1.21 H new ATOM 0 HE2 LYS B 594 6.615 -3.850 -12.001 1.00 1.59 H new ATOM 0 HE3 LYS B 594 6.598 -3.632 -10.262 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 5.901 -1.693 -11.781 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 6.896 -1.362 -10.446 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 7.567 -1.451 -12.003 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.738 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.209 -7.318 -4.325 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.129 1.00 0.00 O ATOM 1892 CB CYS B 595 9.196 -5.112 -3.783 1.00 0.01 C ATOM 1893 SG CYS B 595 9.099 -3.334 -4.097 1.00 1.26 S ATOM 0 H CYS B 595 8.556 -6.158 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.058 -5.461 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.188 -5.527 -3.789 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.601 -5.272 -2.784 1.00 0.01 H new ATOM 0 HG CYS B 595 8.352 -2.774 -3.193 1.00 1.26 H new ATOM 1899 N ARG B 596 10.321 -8.219 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.319 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.904 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.654 -10.414 -6.313 1.00 0.01 C ATOM 1904 CG ARG B 596 12.004 -10.044 -6.902 1.00 1.21 C ATOM 1905 CD ARG B 596 12.338 -10.906 -8.108 1.00 1.42 C ATOM 1906 NE ARG B 596 13.625 -10.547 -8.697 1.00 2.09 N ATOM 1907 CZ ARG B 596 14.408 -11.408 -9.340 1.00 2.60 C ATOM 1908 NH1 ARG B 596 14.040 -12.675 -9.470 1.00 2.53 N ATOM 1909 NH2 ARG B 596 15.561 -11.001 -9.852 1.00 3.58 N ATOM 0 H ARG B 596 10.416 -7.978 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.311 -9.876 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.637 -11.485 -6.111 1.00 0.01 H new ATOM 0 HB3 ARG B 596 9.878 -10.216 -7.053 1.00 0.01 H new ATOM 0 HG2 ARG B 596 12.000 -8.994 -7.194 1.00 1.21 H new ATOM 0 HG3 ARG B 596 12.778 -10.161 -6.144 1.00 1.21 H new ATOM 0 HD2 ARG B 596 12.355 -11.955 -7.811 1.00 1.42 H new ATOM 0 HD3 ARG B 596 11.554 -10.800 -8.858 1.00 1.42 H new ATOM 0 HE ARG B 596 13.941 -9.581 -8.610 1.00 2.09 H new ATOM 0 HH11 ARG B 596 13.154 -12.992 -9.076 1.00 2.53 H new ATOM 0 HH12 ARG B 596 14.643 -13.333 -9.964 1.00 2.53 H new ATOM 0 HH21 ARG B 596 15.848 -10.027 -9.753 1.00 3.58 H new ATOM 0 HH22 ARG B 596 16.162 -11.662 -10.345 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.557 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.428 -10.039 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.505 -0.456 1.00 0.00 O ATOM 1927 CB ARG B 597 14.808 -9.432 -3.075 1.00 0.01 C ATOM 1928 CG ARG B 597 15.427 -9.885 -4.388 1.00 1.27 C ATOM 1929 CD ARG B 597 15.054 -8.957 -5.532 1.00 1.71 C ATOM 1930 NE ARG B 597 15.586 -7.611 -5.338 1.00 2.17 N ATOM 1931 CZ ARG B 597 15.349 -6.599 -6.167 1.00 2.92 C ATOM 1932 NH1 ARG B 597 14.592 -6.781 -7.241 1.00 3.29 N ATOM 1933 NH2 ARG B 597 15.866 -5.403 -5.921 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.769 -4.357 1.00 0.00 H new ATOM 0 HA ARG B 597 13.463 -11.123 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.723 -8.345 -3.080 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.479 -9.695 -2.257 1.00 0.01 H new ATOM 0 HG2 ARG B 597 16.512 -9.920 -4.286 1.00 1.27 H new ATOM 0 HG3 ARG B 597 15.095 -10.898 -4.617 1.00 1.27 H new ATOM 0 HD2 ARG B 597 15.433 -9.365 -6.469 1.00 1.71 H new ATOM 0 HD3 ARG B 597 13.969 -8.909 -5.621 1.00 1.71 H new ATOM 0 HE ARG B 597 16.172 -7.438 -4.521 1.00 2.17 H new ATOM 0 HH11 ARG B 597 14.190 -7.699 -7.432 1.00 3.29 H new ATOM 0 HH12 ARG B 597 14.412 -6.003 -7.876 1.00 3.29 H new ATOM 0 HH21 ARG B 597 16.446 -5.258 -5.095 1.00 3.74 H new ATOM 0 HH22 ARG B 597 15.683 -4.628 -6.558 1.00 3.74 H new ATOM 1947 N HIS B 598 12.337 -8.626 -1.192 1.00 0.00 N ATOM 1948 CA HIS B 598 11.990 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -9.000 0.815 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.764 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.481 -6.692 0.041 1.00 0.02 C ATOM 1952 CG HIS B 598 12.452 -5.757 -0.610 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.239 -4.874 0.100 1.00 1.71 N ATOM 1954 CD2 HIS B 598 12.765 -5.571 -1.915 1.00 1.62 C ATOM 1955 CE1 HIS B 598 13.992 -4.185 -0.739 1.00 2.14 C ATOM 1956 NE2 HIS B 598 13.724 -4.589 -1.967 1.00 2.04 N ATOM 0 H HIS B 598 12.004 -8.038 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.895 -8.162 0.743 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.547 -6.682 -0.521 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.254 -6.328 1.043 1.00 0.02 H new ATOM 0 HD2 HIS B 598 12.340 -6.097 -2.757 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.705 -3.421 -0.467 1.00 2.14 H new ATOM 0 HE2 HIS B 598 14.159 -4.230 -2.817 1.00 2.04 H new ATOM 1965 N PHE B 599 10.462 -10.002 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.868 0.597 1.00 0.00 C ATOM 1967 C PHE B 599 9.970 -12.220 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.717 1.00 0.00 O ATOM 1969 CB PHE B 599 8.304 -11.046 -0.455 1.00 0.06 C ATOM 1970 CG PHE B 599 7.629 -9.764 -0.850 1.00 1.01 C ATOM 1971 CD1 PHE B 599 6.744 -9.139 0.013 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.882 -9.181 -2.082 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.122 -7.959 -0.345 1.00 2.87 C ATOM 1974 CE2 PHE B 599 7.263 -8.000 -2.445 1.00 2.28 C ATOM 1975 CZ PHE B 599 6.379 -7.392 -1.586 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.236 -0.848 1.00 0.00 H new ATOM 0 HA PHE B 599 8.965 -10.398 1.479 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.737 -11.507 -1.343 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.554 -11.737 -0.071 1.00 0.06 H new ATOM 0 HD1 PHE B 599 6.538 -9.580 0.977 1.00 1.94 H new ATOM 0 HD2 PHE B 599 8.571 -9.655 -2.766 1.00 1.40 H new ATOM 0 HE1 PHE B 599 5.438 -7.479 0.339 1.00 2.87 H new ATOM 0 HE2 PHE B 599 7.474 -7.554 -3.406 1.00 2.28 H new ATOM 0 HZ PHE B 599 5.886 -6.476 -1.876 1.00 2.95 H new ATOM 1985 N VAL B 600 11.173 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.768 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.989 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.377 -14.626 2.345 1.00 0.00 O ATOM 1989 CB VAL B 600 12.398 -14.318 -0.656 1.00 0.01 C ATOM 1990 CG1 VAL B 600 11.273 -14.538 -1.655 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.451 -13.383 -1.230 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.820 -0.055 1.00 0.00 H new ATOM 0 HA VAL B 600 11.093 -14.462 1.054 1.00 0.00 H new ATOM 0 HB VAL B 600 12.871 -15.279 -0.456 1.00 0.01 H new ATOM 0 HG11 VAL B 600 11.685 -14.926 -2.587 1.00 1.42 H new ATOM 0 HG12 VAL B 600 10.559 -15.254 -1.248 1.00 1.42 H new ATOM 0 HG13 VAL B 600 10.767 -13.592 -1.848 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.828 -13.791 -2.168 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.008 -12.404 -1.412 1.00 1.42 H new ATOM 0 HG23 VAL B 600 14.273 -13.283 -0.522 1.00 1.42 H new ATOM 2001 N GLN B 601 13.524 -12.455 1.865 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.867 1.00 0.00 C ATOM 2003 C GLN B 601 13.993 -11.603 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.690 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.697 -11.423 2.299 1.00 0.01 C ATOM 2006 CG GLN B 601 15.304 -9.989 1.977 1.00 1.31 C ATOM 2007 CD GLN B 601 16.418 -9.210 1.303 1.00 1.73 C ATOM 2008 OE1 GLN B 601 17.247 -9.903 0.531 1.00 2.34 O flip ATOM 2009 NE2 GLN B 601 16.530 -7.995 1.470 1.00 2.31 N flip ATOM 0 H GLN B 601 13.270 -11.621 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.928 -13.250 3.143 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.518 -11.413 3.016 1.00 0.01 H new ATOM 0 HB3 GLN B 601 16.071 -11.900 1.393 1.00 0.01 H new ATOM 0 HG2 GLN B 601 14.427 -9.994 1.329 1.00 1.31 H new ATOM 0 HG3 GLN B 601 15.017 -9.481 2.897 1.00 1.31 H new ATOM 0 HE21 GLN B 601 15.872 -7.500 2.072 1.00 2.31 H new ATOM 0 HE22 GLN B 601 17.281 -7.484 1.007 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.626 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.460 1.00 0.00 O ATOM 2022 CB VAL B 602 14.636 -12.285 7.757 1.00 0.01 C ATOM 2023 CG1 VAL B 602 14.112 -11.736 9.075 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.361 -13.779 7.648 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.840 5.365 1.00 0.00 H new ATOM 0 HA VAL B 602 12.927 -11.650 6.640 1.00 0.00 H new ATOM 0 HB VAL B 602 15.715 -12.132 7.731 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.567 -12.280 9.903 1.00 1.37 H new ATOM 0 HG12 VAL B 602 14.363 -10.678 9.154 1.00 1.37 H new ATOM 0 HG13 VAL B 602 13.029 -11.856 9.114 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.811 -14.295 8.496 1.00 1.36 H new ATOM 0 HG22 VAL B 602 13.285 -13.952 7.648 1.00 1.36 H new ATOM 0 HG23 VAL B 602 14.790 -14.161 6.722 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.829 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.860 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.289 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.053 9.228 1.00 0.00 O ATOM 2038 CB GLN B 603 12.407 -7.038 6.259 1.00 0.02 C ATOM 2039 CG GLN B 603 12.070 -7.503 4.852 1.00 1.20 C ATOM 2040 CD GLN B 603 10.829 -6.834 4.290 1.00 1.93 C ATOM 2041 OE1 GLN B 603 10.909 -5.775 3.670 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.675 -7.455 4.503 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.488 6.975 1.00 0.00 H new ATOM 0 HA GLN B 603 14.495 -7.522 6.264 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.541 -7.193 6.903 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.605 -5.966 6.243 1.00 0.02 H new ATOM 0 HG2 GLN B 603 12.916 -7.299 4.195 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.924 -8.583 4.857 1.00 1.20 H new ATOM 0 HE21 GLN B 603 9.656 -8.332 5.023 1.00 2.68 H new ATOM 0 HE22 GLN B 603 8.807 -7.055 4.147 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -5.603 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.453 -5.354 10.692 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.652 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.510 -4.308 9.746 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.972 -3.896 11.135 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.698 -4.482 8.812 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.720 1.00 0.00 H new ATOM 0 HA VAL B 604 15.259 -6.408 10.256 1.00 0.00 H new ATOM 0 HB VAL B 604 14.878 -3.513 9.350 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.559 -2.980 11.066 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.104 -3.724 11.771 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.585 -4.689 11.565 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.275 -3.558 8.781 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.330 -5.292 9.175 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.341 -4.721 7.810 1.00 1.27 H new ATOM 2067 N GLY B 605 13.474 -5.932 11.883 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.852 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.399 -7.022 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.266 -6.459 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.816 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.588 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.969 -9.198 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.449 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.432 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.250 -9.201 10.316 1.00 0.02 C ATOM 2079 CG GLU B 606 9.153 -10.248 10.209 1.00 1.16 C ATOM 2080 CD GLU B 606 8.073 -10.069 11.259 1.00 1.64 C ATOM 2081 OE1 GLU B 606 7.239 -9.153 11.102 1.00 1.84 O ATOM 2082 OE2 GLU B 606 8.061 -10.847 12.236 1.00 2.51 O ATOM 0 H GLU B 606 12.640 -7.991 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.227 -9.193 12.465 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.818 -8.216 10.143 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.981 -9.372 9.526 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.703 -10.198 9.218 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.592 -11.241 10.310 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.163 1.00 0.00 N ATOM 2090 CA VAL B 607 11.814 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.797 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.486 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.258 -13.441 13.731 1.00 0.01 C ATOM 2094 CG1 VAL B 607 11.483 -12.527 14.926 1.00 1.40 C ATOM 2095 CG2 VAL B 607 9.779 -13.769 13.572 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.260 1.00 0.00 H new ATOM 0 HA VAL B 607 12.870 -12.559 12.575 1.00 0.00 H new ATOM 0 HB VAL B 607 11.795 -14.373 13.908 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.084 -12.998 15.824 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.551 -12.350 15.053 1.00 1.40 H new ATOM 0 HG13 VAL B 607 10.976 -11.577 14.758 1.00 1.40 H new ATOM 0 HG21 VAL B 607 9.406 -14.222 14.490 1.00 1.40 H new ATOM 0 HG22 VAL B 607 9.223 -12.854 13.367 1.00 1.40 H new ATOM 0 HG23 VAL B 607 9.648 -14.466 12.744 1.00 1.40 H new ATOM 2105 N MET B 608 10.664 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.938 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.929 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.209 -15.487 9.857 1.00 0.01 C ATOM 2110 CG MET B 608 8.802 -16.539 8.838 1.00 1.32 C ATOM 2111 SD MET B 608 7.467 -17.598 9.427 1.00 2.02 S ATOM 2112 CE MET B 608 8.257 -18.395 10.823 1.00 2.68 C ATOM 0 H MET B 608 10.031 -12.823 10.488 1.00 0.00 H new ATOM 0 HA MET B 608 11.275 -15.191 9.253 1.00 0.00 H new ATOM 0 HB2 MET B 608 9.483 -15.985 10.787 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.347 -14.856 10.075 1.00 0.01 H new ATOM 0 HG2 MET B 608 8.490 -16.046 7.917 1.00 1.32 H new ATOM 0 HG3 MET B 608 9.667 -17.155 8.592 1.00 1.32 H new ATOM 0 HE1 MET B 608 7.741 -19.328 11.050 1.00 2.68 H new ATOM 0 HE2 MET B 608 9.298 -18.607 10.580 1.00 2.68 H new ATOM 0 HE3 MET B 608 8.214 -17.736 11.690 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.222 -13.994 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.741 5.433 1.00 0.00 C ATOM 2125 O PRO B 609 7.906 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.727 -15.088 4.707 1.00 0.01 C ATOM 2127 CG PRO B 609 11.770 -15.815 5.486 1.00 0.43 C ATOM 2128 CD PRO B 609 11.331 -15.760 6.924 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.027 5.493 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.919 -15.756 4.409 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.142 -14.661 3.794 1.00 0.01 H new ATOM 0 HG2 PRO B 609 11.862 -16.846 5.146 1.00 0.43 H new ATOM 0 HG3 PRO B 609 12.747 -15.349 5.359 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.761 -16.646 7.204 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.183 -15.701 7.602 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.949 1.00 0.00 C ATOM 2139 O PHE B 610 4.970 -13.345 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.861 -10.739 4.231 1.00 0.01 C ATOM 2141 CG PHE B 610 5.477 -10.155 4.302 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.975 -9.676 5.502 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.678 -10.090 3.173 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.703 -9.142 5.573 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.405 -9.558 3.237 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.917 -9.083 4.439 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.843 4.639 1.00 0.00 H new ATOM 0 HA PHE B 610 6.523 -12.154 5.817 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.551 -10.084 4.762 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.183 -10.764 3.190 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.585 -9.721 6.392 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.055 -10.460 2.231 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.324 -8.771 6.514 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.792 -9.513 2.349 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.922 -8.666 4.492 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.181 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.442 -15.792 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.151 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.202 -15.428 1.171 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.506 -16.489 0.315 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.332 -16.045 1.986 1.00 1.20 C ATOM 2163 CD1 ILE B 611 7.402 -17.109 -0.736 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.576 2.749 1.00 0.00 H new ATOM 0 HA ILE B 611 5.464 -14.201 1.475 1.00 0.00 H new ATOM 0 HB ILE B 611 7.634 -14.680 0.507 1.00 0.02 H new ATOM 0 HG12 ILE B 611 6.127 -17.276 0.966 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.644 -16.038 -0.176 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.042 -16.529 1.315 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.841 -15.264 2.551 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.922 -16.784 2.675 1.00 1.20 H new ATOM 0 HD11 ILE B 611 6.839 -17.851 -1.302 1.00 1.84 H new ATOM 0 HD12 ILE B 611 7.761 -16.333 -1.412 1.00 1.84 H new ATOM 0 HD13 ILE B 611 8.252 -17.590 -0.252 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.268 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.564 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.838 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.393 1.00 0.00 O ATOM 2179 CB ASP B 612 6.522 -17.427 6.095 1.00 0.01 C ATOM 2180 CG ASP B 612 7.812 -18.109 5.683 1.00 1.14 C ATOM 2181 OD1 ASP B 612 7.827 -19.356 5.607 1.00 1.26 O ATOM 2182 OD2 ASP B 612 8.808 -17.397 5.436 1.00 2.15 O ATOM 0 H ASP B 612 7.068 -15.986 4.205 1.00 0.00 H new ATOM 0 HA ASP B 612 5.445 -18.169 4.372 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.752 -16.457 6.536 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.031 -18.020 6.867 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.947 1.00 0.00 N ATOM 2188 CA GLU B 613 2.781 -15.155 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.561 -15.493 5.595 1.00 0.00 O ATOM 2191 CB GLU B 613 2.919 -13.739 7.026 1.00 0.01 C ATOM 2192 CG GLU B 613 1.931 -13.422 8.139 1.00 1.17 C ATOM 2193 CD GLU B 613 0.487 -13.476 7.678 1.00 1.82 C ATOM 2194 OE1 GLU B 613 0.027 -12.500 7.049 1.00 2.66 O ATOM 2195 OE2 GLU B 613 -0.185 -14.495 7.947 1.00 2.11 O ATOM 0 H GLU B 613 4.826 -14.946 6.016 1.00 0.00 H new ATOM 0 HA GLU B 613 2.460 -15.823 7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.933 -13.607 7.405 1.00 0.01 H new ATOM 0 HB3 GLU B 613 2.785 -13.019 6.218 1.00 0.01 H new ATOM 0 HG2 GLU B 613 2.073 -14.129 8.957 1.00 1.17 H new ATOM 0 HG3 GLU B 613 2.144 -12.429 8.535 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.838 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.856 3.012 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.286 2.699 1.00 0.00 C ATOM 2205 O ILE B 614 -0.443 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.913 -14.270 1.747 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.409 -12.847 2.015 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.932 -14.285 0.583 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.252 -12.278 0.895 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.554 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.403 -14.237 3.298 1.00 0.00 H new ATOM 0 HB ILE B 614 2.771 -14.889 1.483 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.550 -12.196 2.178 1.00 1.10 H new ATOM 0 HG13 ILE B 614 2.992 -12.842 2.936 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.412 -13.868 -0.303 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.624 -15.311 0.380 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.057 -13.687 0.837 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.568 -11.268 1.155 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.131 -12.906 0.746 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.666 -12.250 -0.024 1.00 1.76 H new ATOM 2221 N LEU B 615 1.669 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.355 -20.159 2.976 1.00 0.00 O ATOM 2225 CB LEU B 615 2.646 -19.444 2.178 1.00 0.01 C ATOM 2226 CG LEU B 615 3.527 -19.082 0.979 1.00 1.09 C ATOM 2227 CD1 LEU B 615 4.872 -19.785 1.074 1.00 1.70 C ATOM 2228 CD2 LEU B 615 2.830 -19.446 -0.325 1.00 1.84 C ATOM 0 H LEU B 615 2.660 -17.072 2.807 1.00 0.00 H new ATOM 0 HA LEU B 615 0.822 -18.617 1.355 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.230 -19.315 3.090 1.00 0.01 H new ATOM 0 HB3 LEU B 615 2.386 -20.501 2.112 1.00 0.01 H new ATOM 0 HG LEU B 615 3.698 -18.005 0.991 1.00 1.09 H new ATOM 0 HD11 LEU B 615 5.485 -19.516 0.214 1.00 1.70 H new ATOM 0 HD12 LEU B 615 5.378 -19.480 1.990 1.00 1.70 H new ATOM 0 HD13 LEU B 615 4.718 -20.864 1.087 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.471 -19.182 -1.166 1.00 1.84 H new ATOM 0 HD22 LEU B 615 2.630 -20.517 -0.344 1.00 1.84 H new ATOM 0 HD23 LEU B 615 1.890 -18.900 -0.400 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.645 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.707 1.00 0.00 C ATOM 2243 O ASN B 616 -2.500 -19.269 6.570 1.00 0.00 O ATOM 2244 CB ASN B 616 0.405 -19.213 6.996 1.00 0.02 C ATOM 2245 CG ASN B 616 1.719 -19.964 7.110 1.00 1.19 C ATOM 2246 OD1 ASN B 616 2.413 -20.179 6.116 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.066 -20.369 8.326 1.00 1.95 N ATOM 0 H ASN B 616 1.190 -18.139 4.886 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.370 -20.494 5.413 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.585 -18.148 7.140 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.264 -19.534 7.795 1.00 0.02 H new ATOM 0 HD21 ASN B 616 2.938 -20.880 8.464 1.00 1.95 H new ATOM 0 HD22 ASN B 616 1.461 -20.169 9.122 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 4.761 1.00 0.00 C ATOM 2256 C ASN B 617 -3.877 -17.110 3.368 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.162 -15.948 5.466 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.310 -14.955 4.693 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -2.272 -14.967 3.463 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -1.628 -14.077 5.419 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.761 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.027 -17.926 5.299 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -4.151 -15.519 5.627 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -2.719 -16.106 6.449 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.045 -13.378 4.959 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -1.687 -14.101 6.437 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.357 -17.845 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.026 1.00 0.00 C ATOM 2270 C ILE B 618 -5.340 -17.584 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.923 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.325 -18.745 0.074 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.582 -20.129 0.677 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -1.844 -18.555 -0.226 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.339 -21.268 -0.290 1.00 2.01 C ATOM 0 H ILE B 618 -2.642 -18.563 2.516 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.411 -16.687 0.685 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.879 -18.675 -0.862 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -2.941 -20.261 1.549 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -4.612 -20.177 1.029 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -1.505 -19.343 -0.899 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -1.690 -17.584 -0.697 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -1.276 -18.601 0.703 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.541 -22.217 0.207 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -3.999 -21.162 -1.151 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -2.301 -21.247 -0.624 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.657 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.421 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.119 -17.400 2.221 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.783 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.892 -19.883 2.336 1.00 0.01 C ATOM 2292 CG ASN B 619 -9.399 -20.053 2.288 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -9.937 -20.659 1.361 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -10.089 -19.519 3.290 1.00 2.18 N ATOM 0 H ASN B 619 -5.520 -19.254 2.221 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.697 -18.641 0.564 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.417 -20.752 1.881 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.566 -19.850 3.376 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -11.105 -19.603 3.311 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -9.602 -19.025 4.038 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.028 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.640 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.097 -13.802 3.161 1.00 0.00 O ATOM 2305 CB THR B 620 -7.794 -15.586 5.467 1.00 0.02 C ATOM 2306 OG1 THR B 620 -8.710 -14.763 6.200 1.00 1.27 O ATOM 2307 CG2 THR B 620 -6.447 -14.890 5.391 1.00 1.32 C ATOM 0 H THR B 620 -7.017 -17.493 3.991 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.113 4.171 1.00 0.00 H new ATOM 0 HB THR B 620 -7.660 -16.541 5.975 1.00 0.02 H new ATOM 0 HG1 THR B 620 -8.347 -14.585 7.093 1.00 1.27 H new ATOM 0 HG21 THR B 620 -6.077 -14.703 6.399 1.00 1.32 H new ATOM 0 HG22 THR B 620 -5.739 -15.524 4.857 1.00 1.32 H new ATOM 0 HG23 THR B 620 -6.556 -13.943 4.863 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.545 2.431 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.883 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.376 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.334 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.381 -13.113 1.318 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.748 -14.228 0.492 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.646 -12.949 2.641 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.362 -13.894 -0.018 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.251 2.395 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.295 -12.559 2.166 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.296 -12.191 0.743 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.695 -15.132 1.098 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.394 -14.451 -0.357 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.589 -12.763 2.449 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.069 -12.108 3.190 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -4.753 -13.859 3.232 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.975 -14.733 -0.596 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.411 -13.008 -0.652 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.701 -13.700 0.826 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.514 -0.434 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.390 -14.530 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.901 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.711 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.744 -15.561 -2.676 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.922 -16.979 -2.127 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.269 -15.240 -2.872 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.416 -18.059 -3.061 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.405 -0.136 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.272 -13.515 -2.110 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.242 -15.508 -3.644 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.398 -17.059 -1.175 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -8.979 -17.151 -1.925 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.823 -15.975 -3.542 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.168 -14.245 -3.306 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.759 -15.270 -1.909 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.575 -19.037 -2.606 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -7.957 -18.006 -4.006 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.351 -17.912 -3.244 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.384 -15.123 -0.471 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.812 -15.424 -0.206 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.692 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.193 -14.879 1.170 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.905 -15.213 1.648 1.00 1.47 S ATOM 0 H CYS B 623 -9.798 -15.183 0.362 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.877 -16.511 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.527 -15.311 1.917 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -12.028 -13.802 1.181 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.131 -14.715 2.827 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.880 -2.055 1.00 0.00 C ATOM 2366 C ASP B 624 -13.489 -12.596 -3.496 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.081 -4.248 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.105 -11.568 -1.317 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.547 -11.792 0.115 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -15.760 -11.983 0.339 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -13.679 -11.776 1.014 1.00 2.07 O ATOM 0 H ASP B 624 -12.003 -13.024 -1.097 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.736 -13.495 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.202 -10.958 -1.325 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.873 -11.006 -1.848 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.907 -3.882 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.556 -5.212 1.00 0.00 C ATOM 2378 C LEU B 625 -12.404 -13.419 -6.308 1.00 0.00 C ATOM 2379 O LEU B 625 -12.733 -14.584 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.235 -12.713 -5.273 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.433 -11.600 -4.598 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.696 -11.585 -3.102 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -7.947 -11.768 -4.877 1.00 1.67 C ATOM 0 H LEU B 625 -11.578 -13.399 -3.296 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.025 -11.515 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.966 -13.663 -4.811 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.934 -12.771 -6.319 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.755 -10.645 -5.013 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.117 -10.786 -2.639 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -10.757 -11.415 -2.921 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -9.403 -12.543 -2.671 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -7.392 -10.967 -4.389 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -7.611 -12.730 -4.491 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -7.772 -11.728 -5.952 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.839 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.585 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.417 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.805 -14.132 -8.970 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.654 -12.621 -9.703 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.821 -11.779 -9.211 1.00 0.94 C ATOM 2401 CD GLN B 626 -15.325 -10.807 -10.261 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -14.420 -10.321 -11.104 1.00 2.35 O flip ATOM 2403 NE2 GLN B 626 -16.513 -10.490 -10.311 1.00 2.33 N flip ATOM 0 H GLN B 626 -12.425 -11.852 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.918 -14.242 -8.336 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.852 -11.959 -10.030 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.971 -13.193 -10.575 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.636 -12.436 -8.909 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -14.515 -11.223 -8.325 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -17.175 -10.887 -9.644 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -16.835 -9.830 -11.019 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.427 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.276 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.022 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.049 -17.073 -11.680 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.455 -17.103 -11.187 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.666 -15.810 -10.449 1.00 0.01 C ATOM 0 HA PRO B 627 -10.820 -16.909 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.980 -16.578 -12.649 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.653 -18.080 -11.808 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.157 -17.198 -12.016 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.620 -17.958 -10.531 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.119 -15.052 -11.088 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.326 -15.940 -9.591 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.002 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.732 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.319 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.854 -12.856 -13.700 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.815 -13.443 -14.725 1.00 1.30 C ATOM 2432 CD GLN B 628 -10.112 -14.016 -15.942 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -8.892 -14.508 -15.755 1.00 2.62 O flip ATOM 2434 NE2 GLN B 628 -10.662 -14.018 -17.044 1.00 2.58 N flip ATOM 0 H GLN B 628 -11.262 -14.140 -12.127 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.730 -14.637 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.373 -12.088 -13.127 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.035 -12.364 -14.224 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -11.406 -14.227 -14.252 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -11.511 -12.668 -15.046 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -11.600 -13.631 -17.147 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -10.179 -14.407 -17.854 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.270 -12.898 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.627 -8.557 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.007 -11.112 -8.760 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.358 -9.719 -9.263 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.239 -9.744 -10.497 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -9.748 -9.789 -11.625 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -11.550 -9.706 -10.287 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.422 -11.199 -10.204 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.927 -11.675 -8.604 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.517 -11.026 -7.790 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.866 -9.169 -8.471 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -8.440 -9.177 -9.489 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -11.913 -9.669 -9.335 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -12.194 -9.714 -11.078 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.068 -8.665 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.132 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.861 -15.524 -8.767 1.00 0.00 C ATOM 2463 O VAL B 630 -4.769 -15.015 -8.437 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.988 -16.382 -7.758 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.191 -17.491 -7.087 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.217 -16.032 -6.932 1.00 1.30 C ATOM 2467 OXT VAL B 630 -5.987 -16.337 -9.707 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.305 -8.916 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.817 -14.740 -7.001 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.318 -16.742 -8.733 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.830 -18.363 -6.944 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.343 -17.762 -7.716 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.828 -17.144 -6.119 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.825 -16.925 -6.788 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.905 -15.645 -5.962 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.802 -15.274 -7.453 1.00 1.30 H new