USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=27 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 598 HIS : no HE2:sc= -3.07! C(o=-3.3!,f=-9.2!) USER MOD Set 1.2: B 603 GLN : amide:sc= -0.19 K(o=-3.3,f=-6.1!) USER MOD Set 2.1: B 514 LYS NZ :NH3+ -162:sc= 0.496 (180deg=-0.0855) USER MOD Set 2.2: B 558 HIS : no HE2:sc= 0.448 K(o=0.94,f=-1.2) USER MOD Set 3.1: B 505 SER OG : rot 28:sc= 0.645 USER MOD Set 3.2: B 550 GLN : amide:sc= -0.154 K(o=0.49,f=-0.37) USER MOD Single : B 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 HIS : no HD1:sc= -1.57! X(o=-1.6!,f=-1.7) USER MOD Single : B 519 THR OG1 : rot -8:sc= 0.926 USER MOD Single : B 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 528 CYS SG : rot 180:sc= 0 USER MOD Single : B 530 GLN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : B 531 LYS NZ :NH3+ 168:sc= -0.0389 (180deg=-0.269) USER MOD Single : B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : B 537 LYS NZ :NH3+ 166:sc= -2.39! (180deg=-2.93!) USER MOD Single : B 542 SER OG : rot -58:sc= 1.22 USER MOD Single : B 543 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.006) USER MOD Single : B 545 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 560 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.39!) USER MOD Single : B 563 LYS NZ :NH3+ -162:sc= -0.0662 (180deg=-0.407) USER MOD Single : B 564 THR OG1 : rot 0:sc= 0.271 USER MOD Single : B 567 ASN : amide:sc= 0.795 K(o=0.79,f=0) USER MOD Single : B 568 LYS NZ :NH3+ -142:sc= -0.0413 (180deg=-0.301) USER MOD Single : B 573 MET CE :methyl 167:sc= -0.592 (180deg=-1.32) USER MOD Single : B 574 HIS : no HD1:sc= 0.0561 K(o=0.056,f=-1.4) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HD1:sc= -0.836 K(o=-0.84,f=-2.9) USER MOD Single : B 581 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 583 MET CE :methyl -110:sc= -0.703 (180deg=-2.78!) USER MOD Single : B 585 CYS SG : rot 144:sc= 0.158 USER MOD Single : B 587 THR OG1 : rot -72:sc= -0.439 USER MOD Single : B 590 LYS NZ :NH3+ 163:sc= -0.0706 (180deg=-0.382) USER MOD Single : B 593 GLN : amide:sc= -0.0581 K(o=-0.058,f=-2.5!) USER MOD Single : B 594 LYS NZ :NH3+ 169:sc= -0.0395 (180deg=-0.26) USER MOD Single : B 595 CYS SG : rot -60:sc= -1.18 USER MOD Single : B 601 GLN :FLIP amide:sc= -0.0451 F(o=-0.81,f=-0.045) USER MOD Single : B 608 MET CE :methyl 139:sc= -0.0948 (180deg=-0.595) USER MOD Single : B 616 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.1) USER MOD Single : B 617 ASN : amide:sc= -3.73 K(o=-3.7,f=-11!) USER MOD Single : B 619 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.6!) USER MOD Single : B 620 THR OG1 : rot -19:sc= -0.437 USER MOD Single : B 623 CYS SG : rot 180:sc= 0 USER MOD Single : B 626 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.12) USER MOD Single : B 629 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.4!) 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 10.965 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.641 10.156 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.580 -12.299 1.00 0.00 O ATOM 386 CB ILE B 504 7.689 12.431 -13.101 1.00 0.03 C ATOM 387 CG1 ILE B 504 8.937 13.208 -13.501 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.484 12.492 -11.593 1.00 1.33 C ATOM 389 CD1 ILE B 504 9.090 13.386 -14.997 1.00 2.13 C ATOM 0 HA ILE B 504 8.218 10.901 -14.574 1.00 0.00 H new ATOM 0 HB ILE B 504 6.832 12.898 -13.586 1.00 0.03 H new ATOM 0 HG12 ILE B 504 8.910 14.190 -13.028 1.00 1.30 H new ATOM 0 HG13 ILE B 504 9.815 12.692 -13.114 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.436 13.533 -11.274 1.00 1.33 H new ATOM 0 HG22 ILE B 504 6.553 11.990 -11.332 1.00 1.33 H new ATOM 0 HG23 ILE B 504 8.316 11.997 -11.092 1.00 1.33 H new ATOM 0 HD11 ILE B 504 10.000 13.948 -15.205 1.00 2.13 H new ATOM 0 HD12 ILE B 504 9.150 12.408 -15.476 1.00 2.13 H new ATOM 0 HD13 ILE B 504 8.230 13.930 -15.389 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 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.342 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.338 -13.131 1.00 0.00 O ATOM 407 CB SER B 505 8.196 6.711 -11.324 1.00 0.00 C ATOM 408 OG SER B 505 7.985 6.135 -12.601 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 8.495 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.771 6.024 -10.703 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.238 6.863 -10.828 1.00 0.00 H new ATOM 0 HG SER B 505 8.694 6.425 -13.212 1.00 1.29 H new ATOM 414 N GLY B 506 11.359 8.140 -11.217 1.00 0.00 N ATOM 415 CA GLY B 506 12.728 7.974 -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 14.478 9.167 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.259 8.524 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.344 7.697 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.770 7.144 -12.367 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.303 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.103 11.546 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.492 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.522 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.055 12.259 -13.783 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.354 -12.085 1.00 0.00 H new ATOM 0 HA ALA B 507 13.934 11.267 -13.605 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.475 13.180 -14.187 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.738 11.615 -14.603 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.196 12.497 -13.155 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -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 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.901 13.254 -8.501 1.00 0.01 C ATOM 436 CG MET B 508 11.892 14.210 -9.114 1.00 0.47 C ATOM 437 SD MET B 508 12.616 15.809 -9.530 1.00 1.65 S ATOM 438 CE MET B 508 11.212 16.637 -10.272 1.00 2.21 C ATOM 0 H MET B 508 12.871 11.327 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.522 13.724 -9.855 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.380 12.361 -8.157 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.346 13.722 -7.623 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.471 13.761 -10.014 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.068 14.359 -8.417 1.00 0.47 H new ATOM 0 HE1 MET B 508 11.503 17.641 -10.581 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.875 16.073 -11.141 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.402 16.702 -9.545 1.00 2.21 H new ATOM 448 N HIS B 509 15.907 12.684 -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 16.163 11.350 -5.920 1.00 0.00 C ATOM 451 O HIS B 509 15.267 11.946 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.899 13.059 -6.551 1.00 0.00 C ATOM 453 CG HIS B 509 19.035 12.455 -5.784 1.00 1.05 C ATOM 454 ND1 HIS B 509 20.001 11.663 -6.367 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.360 12.538 -4.473 1.00 1.87 C ATOM 456 CE1 HIS B 509 20.871 11.285 -5.447 1.00 2.67 C ATOM 457 NE2 HIS B 509 20.506 11.803 -4.290 1.00 2.55 N ATOM 0 H HIS B 509 15.936 13.703 -7.913 1.00 0.00 H new ATOM 0 HA HIS B 509 17.442 11.285 -7.649 1.00 0.00 H new ATOM 0 HB2 HIS B 509 18.301 13.625 -7.391 1.00 0.00 H new ATOM 0 HB3 HIS B 509 17.377 13.769 -5.909 1.00 0.00 H new ATOM 0 HD2 HIS B 509 18.819 13.081 -3.712 1.00 1.87 H new ATOM 0 HE1 HIS B 509 21.735 10.658 -5.614 1.00 2.67 H new ATOM 0 HE2 HIS B 509 20.995 11.678 -3.404 1.00 2.55 H new ATOM 466 N GLU B 510 16.540 10.105 -5.622 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 15.425 10.057 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.346 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.708 8.092 -4.239 1.00 0.01 C ATOM 471 CG GLU B 510 16.047 7.152 -3.243 1.00 1.38 C ATOM 472 CD GLU B 510 16.950 6.003 -2.836 1.00 2.04 C ATOM 473 OE1 GLU B 510 17.716 6.167 -1.863 1.00 2.66 O ATOM 474 OE2 GLU B 510 16.891 4.941 -3.490 1.00 2.52 O ATOM 0 H GLU B 510 17.339 9.640 -6.054 1.00 0.00 H new ATOM 0 HA GLU B 510 14.916 8.946 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.971 7.530 -5.135 1.00 0.01 H new ATOM 0 HB3 GLU B 510 17.639 8.463 -3.811 1.00 0.01 H new ATOM 0 HG2 GLU B 510 15.758 7.714 -2.355 1.00 1.38 H new ATOM 0 HG3 GLU B 510 15.131 6.753 -3.679 1.00 1.38 H new ATOM 481 N GLU B 511 16.274 10.994 -2.987 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 14.972 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.160 13.020 -1.026 1.00 0.00 O ATOM 485 CB GLU B 511 17.379 12.467 -1.358 1.00 0.01 C ATOM 486 CG GLU B 511 18.334 11.564 -0.593 1.00 1.31 C ATOM 487 CD GLU B 511 18.822 10.392 -1.420 1.00 1.88 C ATOM 488 OE1 GLU B 511 18.090 9.383 -1.509 1.00 2.41 O ATOM 489 OE2 GLU B 511 19.934 10.483 -1.982 1.00 2.44 O ATOM 0 H GLU B 511 17.123 11.234 -3.498 1.00 0.00 H new ATOM 0 HA GLU B 511 15.771 11.082 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.882 12.839 -2.251 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.141 13.334 -0.742 1.00 0.01 H new ATOM 0 HG2 GLU B 511 19.191 12.149 -0.259 1.00 1.31 H new ATOM 0 HG3 GLU B 511 17.835 11.190 0.301 1.00 1.31 H new ATOM 496 N ASP B 512 14.948 13.486 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.417 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.577 1.00 0.00 C ATOM 499 O ASP B 512 11.476 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.130 15.135 -4.704 1.00 0.00 C ATOM 501 CG ASP B 512 13.025 16.105 -5.070 1.00 1.11 C ATOM 502 OD1 ASP B 512 13.035 17.241 -4.548 1.00 1.03 O ATOM 503 OD2 ASP B 512 12.149 15.731 -5.878 1.00 2.08 O ATOM 0 H ASP B 512 15.681 13.438 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.698 15.075 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP B 512 15.065 15.682 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP B 512 14.274 14.428 -5.521 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.495 -4.386 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.181 -3.059 1.00 0.00 C ATOM 511 O GLU B 513 9.657 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.054 10.201 -5.041 1.00 0.01 C ATOM 513 CG GLU B 513 10.938 9.225 -5.373 1.00 1.13 C ATOM 514 CD GLU B 513 11.454 7.934 -5.976 1.00 1.38 C ATOM 515 OE1 GLU B 513 11.687 7.903 -7.203 1.00 1.92 O ATOM 516 OE2 GLU B 513 11.625 6.953 -5.223 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.066 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.840 11.978 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.592 10.448 -5.956 1.00 0.01 H new ATOM 0 HB3 GLU B 513 12.765 9.713 -4.375 1.00 0.01 H new ATOM 0 HG2 GLU B 513 10.376 8.999 -4.467 1.00 1.13 H new ATOM 0 HG3 GLU B 513 10.244 9.695 -6.070 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 10.513 -0.729 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.177 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.408 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.276 10.221 0.249 1.00 0.03 C ATOM 528 CG LYS B 514 13.053 8.956 -0.072 1.00 1.17 C ATOM 529 CD LYS B 514 14.217 8.761 0.888 1.00 1.23 C ATOM 530 CE LYS B 514 15.142 7.646 0.424 1.00 2.02 C ATOM 531 NZ LYS B 514 14.418 6.355 0.260 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.766 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.511 9.626 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.964 11.067 0.253 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.866 10.139 1.256 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.387 8.095 -0.019 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.427 9.007 -1.094 1.00 1.17 H new ATOM 0 HD2 LYS B 514 14.780 9.691 0.972 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.835 8.528 1.882 1.00 1.23 H new ATOM 0 HE2 LYS B 514 15.602 7.927 -0.523 1.00 2.02 H new ATOM 0 HE3 LYS B 514 15.949 7.520 1.146 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 15.103 5.572 0.245 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 13.759 6.223 1.054 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 13.886 6.366 -0.634 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 14.318 -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 11.134 15.217 0.453 1.00 0.02 C ATOM 550 CG ARG B 515 12.390 15.031 1.287 1.00 1.32 C ATOM 551 CD ARG B 515 13.267 16.271 1.256 1.00 1.65 C ATOM 552 NE ARG B 515 12.591 17.434 1.824 1.00 2.20 N ATOM 553 CZ ARG B 515 13.047 18.678 1.716 1.00 2.85 C ATOM 554 NH1 ARG B 515 14.176 18.919 1.063 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.375 19.683 2.262 1.00 3.75 N ATOM 0 H ARG B 515 11.822 13.002 -0.373 1.00 0.00 H new ATOM 0 HA ARG B 515 9.939 13.794 1.529 1.00 0.00 H new ATOM 0 HB2 ARG B 515 11.419 15.413 -0.581 1.00 0.02 H new ATOM 0 HB3 ARG B 515 10.598 16.097 0.808 1.00 0.02 H new ATOM 0 HG2 ARG B 515 12.114 14.805 2.317 1.00 1.32 H new ATOM 0 HG3 ARG B 515 12.953 14.176 0.913 1.00 1.32 H new ATOM 0 HD2 ARG B 515 14.186 16.079 1.810 1.00 1.65 H new ATOM 0 HD3 ARG B 515 13.555 16.486 0.227 1.00 1.65 H new ATOM 0 HE ARG B 515 11.720 17.283 2.332 1.00 2.20 H new ATOM 0 HH11 ARG B 515 14.696 18.149 0.642 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.524 19.874 0.981 1.00 3.02 H new ATOM 0 HH21 ARG B 515 11.507 19.502 2.766 1.00 3.75 H new ATOM 0 HH22 ARG B 515 12.727 20.637 2.178 1.00 3.75 H new ATOM 569 N PHE B 516 8.959 14.083 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.416 1.00 0.00 C ATOM 571 C PHE B 516 6.701 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 8.337 14.492 -3.874 1.00 0.01 C ATOM 574 CG PHE B 516 7.260 14.898 -4.841 1.00 0.66 C ATOM 575 CD1 PHE B 516 6.806 16.207 -4.882 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.705 13.972 -5.709 1.00 1.15 C ATOM 577 CE1 PHE B 516 5.817 16.584 -5.771 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.716 14.342 -6.599 1.00 1.70 C ATOM 579 CZ PHE B 516 5.269 15.647 -6.630 1.00 1.89 C ATOM 0 H PHE B 516 9.740 13.631 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.532 15.454 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.174 15.185 -3.963 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.709 13.506 -4.151 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.230 16.940 -4.212 1.00 1.12 H new ATOM 0 HD2 PHE B 516 7.050 12.949 -5.689 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.473 17.607 -5.795 1.00 1.67 H new ATOM 0 HE2 PHE B 516 5.292 13.610 -7.271 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.493 15.937 -7.323 1.00 1.89 H new ATOM 589 N LEU B 517 7.024 12.191 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.061 1.00 0.00 C ATOM 591 C LEU B 517 5.449 11.159 -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 6.669 9.777 -2.340 1.00 0.02 C ATOM 594 CG LEU B 517 7.200 9.584 -3.762 1.00 1.00 C ATOM 595 CD1 LEU B 517 7.823 8.205 -3.916 1.00 1.77 C ATOM 596 CD2 LEU B 517 6.087 9.790 -4.780 1.00 1.90 C ATOM 0 H LEU B 517 7.976 11.849 -2.389 1.00 0.00 H new ATOM 0 HA LEU B 517 5.235 11.335 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.488 9.618 -1.638 1.00 0.02 H new ATOM 0 HB3 LEU B 517 5.924 9.007 -2.139 1.00 0.02 H new ATOM 0 HG LEU B 517 7.973 10.330 -3.946 1.00 1.00 H new ATOM 0 HD11 LEU B 517 8.195 8.085 -4.933 1.00 1.77 H new ATOM 0 HD12 LEU B 517 8.649 8.098 -3.213 1.00 1.77 H new ATOM 0 HD13 LEU B 517 7.072 7.442 -3.712 1.00 1.77 H new ATOM 0 HD21 LEU B 517 6.483 9.649 -5.786 1.00 1.90 H new ATOM 0 HD22 LEU B 517 5.290 9.068 -4.599 1.00 1.90 H new ATOM 0 HD23 LEU B 517 5.690 10.801 -4.685 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.560 0.339 1.00 0.00 N ATOM 609 CA VAL B 518 5.646 11.607 1.674 1.00 0.00 C ATOM 610 C VAL B 518 4.589 12.697 1.721 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.541 2.393 1.00 0.00 O ATOM 612 CB VAL B 518 6.719 11.875 2.750 1.00 0.03 C ATOM 613 CG1 VAL B 518 6.076 12.100 4.112 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.709 10.723 2.813 1.00 1.40 C ATOM 0 H VAL B 518 7.196 11.844 0.263 1.00 0.00 H new ATOM 0 HA VAL B 518 5.201 10.636 1.889 1.00 0.00 H new ATOM 0 HB VAL B 518 7.258 12.781 2.474 1.00 0.03 H new ATOM 0 HG11 VAL B 518 6.852 12.287 4.854 1.00 1.40 H new ATOM 0 HG12 VAL B 518 5.408 12.960 4.061 1.00 1.40 H new ATOM 0 HG13 VAL B 518 5.507 11.215 4.397 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.459 10.929 3.577 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.181 9.803 3.062 1.00 1.40 H new ATOM 0 HG23 VAL B 518 8.198 10.611 1.846 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 3.883 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 0.377 1.00 0.00 O ATOM 628 CB THR B 519 4.535 16.177 0.370 1.00 0.02 C ATOM 629 OG1 THR B 519 5.156 15.922 -0.892 1.00 1.10 O ATOM 630 CG2 THR B 519 5.567 16.723 1.347 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.438 1.00 0.00 H new ATOM 0 HA THR B 519 3.567 15.072 1.949 1.00 0.00 H new ATOM 0 HB THR B 519 3.749 16.921 0.238 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.145 14.959 -1.073 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.013 17.629 0.936 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.083 16.955 2.296 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.345 15.977 1.509 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.785 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.304 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 2.271 12.930 -3.255 1.00 0.03 C ATOM 643 CG1 VAL B 520 2.750 11.498 -3.106 1.00 1.21 C ATOM 644 CG2 VAL B 520 1.182 13.025 -4.315 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.353 -1.222 1.00 0.00 H new ATOM 0 HA VAL B 520 1.281 14.458 -2.120 1.00 0.00 H new ATOM 0 HB VAL B 520 3.125 13.529 -3.572 1.00 0.03 H new ATOM 0 HG11 VAL B 520 3.102 11.130 -4.070 1.00 1.21 H new ATOM 0 HG12 VAL B 520 3.565 11.460 -2.384 1.00 1.21 H new ATOM 0 HG13 VAL B 520 1.927 10.874 -2.757 1.00 1.21 H new ATOM 0 HG21 VAL B 520 1.554 12.620 -5.256 1.00 1.22 H new ATOM 0 HG22 VAL B 520 0.311 12.455 -3.994 1.00 1.22 H new ATOM 0 HG23 VAL B 520 0.901 14.069 -4.455 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.602 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.515 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.778 1.352 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.037 9.141 -0.043 1.00 0.02 C ATOM 659 CG1 ILE B 521 2.095 9.098 1.065 1.00 1.41 C ATOM 660 CG2 ILE B 521 1.669 8.848 -1.392 1.00 1.40 C ATOM 661 CD1 ILE B 521 2.798 7.763 1.185 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.393 -0.398 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.528 10.532 -0.733 1.00 0.00 H new ATOM 0 HB ILE B 521 0.291 8.373 0.161 1.00 0.02 H new ATOM 0 HG12 ILE B 521 2.837 9.874 0.876 1.00 1.41 H new ATOM 0 HG13 ILE B 521 1.621 9.336 2.017 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.162 7.876 -1.360 1.00 1.40 H new ATOM 0 HG22 ILE B 521 0.897 8.838 -2.161 1.00 1.40 H new ATOM 0 HG23 ILE B 521 2.403 9.619 -1.625 1.00 1.40 H new ATOM 0 HD11 ILE B 521 3.532 7.809 1.990 1.00 1.98 H new ATOM 0 HD12 ILE B 521 2.067 6.985 1.405 1.00 1.98 H new ATOM 0 HD13 ILE B 521 3.302 7.532 0.247 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.555 2.140 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 4.094 1.00 0.00 O ATOM 677 CB LYS B 522 1.151 12.833 4.160 1.00 0.01 C ATOM 678 CG LYS B 522 0.707 13.382 5.508 1.00 1.10 C ATOM 679 CD LYS B 522 1.567 14.559 5.946 1.00 1.37 C ATOM 680 CE LYS B 522 3.020 14.157 6.142 1.00 2.02 C ATOM 681 NZ LYS B 522 3.870 15.319 6.520 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.898 1.889 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.113 11.110 4.077 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.048 12.229 4.301 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.425 13.665 3.511 1.00 0.01 H new ATOM 0 HG2 LYS B 522 -0.335 13.695 5.448 1.00 1.10 H new ATOM 0 HG3 LYS B 522 0.760 12.593 6.258 1.00 1.10 H new ATOM 0 HD2 LYS B 522 1.507 15.350 5.199 1.00 1.37 H new ATOM 0 HD3 LYS B 522 1.175 14.969 6.877 1.00 1.37 H new ATOM 0 HE2 LYS B 522 3.084 13.393 6.917 1.00 2.02 H new ATOM 0 HE3 LYS B 522 3.401 13.712 5.223 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 4.853 15.004 6.645 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 3.829 16.038 5.769 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 3.522 15.728 7.411 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 -2.404 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 -4.666 14.192 1.201 1.00 0.00 O ATOM 699 CB ASP B 523 -1.959 15.711 1.308 1.00 0.01 C ATOM 700 CG ASP B 523 -1.076 16.545 2.215 1.00 1.28 C ATOM 701 OD1 ASP B 523 0.141 16.274 2.273 1.00 2.17 O ATOM 702 OD2 ASP B 523 -1.603 17.471 2.868 1.00 1.70 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 -2.839 14.577 2.950 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.420 15.486 0.388 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -2.838 16.291 1.028 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 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.067 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.004 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.594 11.015 -1.392 1.00 0.04 C ATOM 712 CG LEU B 524 -3.131 11.734 -2.661 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.328 10.792 -3.542 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.325 12.288 -3.425 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 -4.937 12.572 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.740 10.498 -0.954 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.320 10.251 -1.671 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.490 12.567 -2.371 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -2.006 11.319 -4.440 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.453 10.440 -2.995 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.947 9.940 -3.823 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.977 12.796 -4.325 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -4.990 11.470 -3.704 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.864 12.995 -2.794 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.453 1.615 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 -5.631 10.756 3.565 1.00 0.00 C ATOM 729 O LEU B 525 -6.737 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.582 9.300 3.691 1.00 0.02 C ATOM 731 CG LEU B 525 -2.792 8.105 3.151 1.00 1.09 C ATOM 732 CD1 LEU B 525 -1.578 7.831 4.026 1.00 1.76 C ATOM 733 CD2 LEU B 525 -3.680 6.872 3.069 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.396 1.542 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.300 8.949 2.448 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.889 10.122 3.871 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -4.009 9.026 4.656 1.00 0.02 H new ATOM 0 HG LEU B 525 -2.445 8.346 2.146 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -1.028 6.978 3.628 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -0.931 8.708 4.036 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -1.904 7.610 5.042 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.102 6.032 2.683 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -4.056 6.628 4.063 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -4.519 7.072 2.403 1.00 1.95 H new ATOM 745 N GLY B 526 -5.168 11.989 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.938 12.958 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.377 1.00 0.00 O ATOM 0 H GLY B 526 -4.273 12.330 3.408 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.339 13.853 4.674 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.477 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 1.560 1.00 0.00 O ATOM 756 CB LEU B 527 -7.795 14.007 0.160 1.00 0.01 C ATOM 757 CG LEU B 527 -7.115 15.359 -0.067 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.456 15.400 -1.436 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.123 16.490 0.073 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.421 1.952 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.755 14.624 1.985 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.106 13.217 -0.139 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.662 13.940 -0.497 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.342 15.489 0.691 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -5.977 16.369 -1.581 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.707 14.611 -1.503 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.211 15.250 -2.208 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.624 17.445 -0.091 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -8.916 16.364 -0.664 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.552 16.473 1.075 1.00 1.67 H new ATOM 771 N CYS B 528 -8.712 11.353 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.170 1.622 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 -8.678 8.908 1.603 1.00 0.04 C ATOM 776 SG CYS B 528 -9.627 7.370 1.565 1.00 0.59 S ATOM 0 H CYS B 528 -7.715 11.168 1.809 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.117 10.218 0.697 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.023 8.941 0.732 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.036 8.906 2.484 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.812 6.357 1.549 1.00 0.59 H new ATOM 782 N GLU B 529 -9.962 10.338 3.988 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 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.833 11.586 5.742 1.00 0.00 O ATOM 786 CB GLU B 529 -9.867 10.596 6.424 1.00 0.02 C ATOM 787 CG GLU B 529 -9.261 9.283 6.896 1.00 1.29 C ATOM 788 CD GLU B 529 -8.246 8.721 5.921 1.00 1.85 C ATOM 789 OE1 GLU B 529 -8.664 8.066 4.943 1.00 2.25 O ATOM 790 OE2 GLU B 529 -7.034 8.939 6.132 1.00 2.50 O ATOM 0 H GLU B 529 -8.959 10.442 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.351 9.535 5.267 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.063 11.296 6.195 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -10.447 11.032 7.238 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -8.783 9.436 7.864 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -10.057 8.554 7.046 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.306 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.698 3.473 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 -11.367 15.028 3.707 1.00 0.01 C ATOM 802 CG GLN B 530 -12.127 16.337 3.559 1.00 0.99 C ATOM 803 CD GLN B 530 -12.510 16.944 4.895 1.00 1.50 C ATOM 804 OE1 GLN B 530 -11.761 17.733 5.469 1.00 2.15 O ATOM 805 NE2 GLN B 530 -13.685 16.578 5.396 1.00 2.24 N ATOM 0 H GLN B 530 -10.517 12.720 3.875 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.525 14.140 5.317 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.493 15.195 4.337 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.000 14.719 2.728 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -11.515 17.047 3.004 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -13.028 16.165 2.971 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -14.275 15.921 4.886 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -13.997 16.955 6.291 1.00 2.24 H new ATOM 814 N LYS B 531 -13.290 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.796 1.00 0.00 C ATOM 817 O LYS B 531 -14.849 10.864 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.894 12.774 -0.084 1.00 0.03 C ATOM 819 CG LYS B 531 -14.847 13.250 -1.169 1.00 0.77 C ATOM 820 CD LYS B 531 -14.928 14.768 -1.216 1.00 1.35 C ATOM 821 CE LYS B 531 -15.866 15.242 -2.316 1.00 1.81 C ATOM 822 NZ LYS B 531 -17.247 14.716 -2.132 1.00 2.28 N ATOM 0 H LYS B 531 -12.382 12.963 1.865 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.982 13.969 1.320 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -12.930 13.265 -0.217 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -13.726 11.704 -0.202 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -14.516 12.873 -2.136 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -15.840 12.837 -0.989 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -15.274 15.145 -0.254 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -13.933 15.182 -1.381 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -15.891 16.332 -2.327 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -15.481 14.922 -3.284 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -17.897 15.215 -2.772 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -17.262 13.699 -2.347 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -17.547 14.866 -1.148 1.00 2.28 H new ATOM 836 N ARG B 532 -16.621 12.149 1.690 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 10.366 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.884 10.829 -0.304 1.00 0.00 O ATOM 840 CB ARG B 532 -18.794 11.795 2.749 1.00 0.01 C ATOM 841 CG ARG B 532 -19.486 12.845 1.894 1.00 1.32 C ATOM 842 CD ARG B 532 -20.656 13.478 2.629 1.00 1.86 C ATOM 843 NE ARG B 532 -20.236 14.134 3.864 1.00 2.54 N ATOM 844 CZ ARG B 532 -21.075 14.718 4.715 1.00 3.32 C ATOM 845 NH1 ARG B 532 -22.378 14.725 4.470 1.00 3.60 N ATOM 846 NH2 ARG B 532 -20.610 15.298 5.814 1.00 4.21 N ATOM 0 H ARG B 532 -17.023 13.022 1.348 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.121 10.453 2.765 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.514 11.020 3.012 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -18.467 12.256 3.681 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -18.770 13.618 1.614 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.840 12.388 0.970 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -21.141 14.206 1.979 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -21.397 12.712 2.859 1.00 1.86 H new ATOM 0 HE ARG B 532 -19.241 14.145 4.087 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -22.741 14.281 3.626 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -23.018 15.174 5.125 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -19.608 15.296 6.007 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -21.254 15.746 6.466 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.069 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 -1.130 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.786 2.000 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.750 0.357 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.489 8.992 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.310 6.129 -0.517 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.113 -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 -15.868 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.132 3.754 -1.067 1.00 0.02 C ATOM 872 CG LYS B 534 -18.551 3.300 0.322 1.00 1.17 C ATOM 873 CD LYS B 534 -19.340 2.001 0.270 1.00 1.67 C ATOM 874 CE LYS B 534 -18.473 0.838 -0.187 1.00 2.37 C ATOM 875 NZ LYS B 534 -19.242 -0.434 -0.256 1.00 2.95 N ATOM 0 H LYS B 534 -19.136 5.751 -0.053 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.533 5.097 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -19.014 3.800 -1.705 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -17.466 3.006 -1.497 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -17.666 3.165 0.944 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.156 4.075 0.792 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -19.751 1.784 1.256 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.185 2.115 -0.409 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -18.053 1.062 -1.168 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -17.635 0.719 0.499 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -18.615 -1.202 -0.571 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -19.622 -0.661 0.685 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -20.027 -0.329 -0.930 1.00 2.95 H new ATOM 889 N ASP B 535 -17.882 6.013 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.671 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.298 -4.618 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 -18.626 7.243 -5.320 1.00 0.01 C ATOM 894 CG ASP B 535 -18.268 7.730 -6.710 1.00 1.35 C ATOM 895 OD1 ASP B 535 -18.511 6.983 -7.681 1.00 1.82 O ATOM 896 OD2 ASP B 535 -17.745 8.858 -6.829 1.00 2.20 O ATOM 0 H ASP B 535 -18.856 6.192 -3.088 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.292 5.560 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -19.519 6.620 -5.375 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.872 8.098 -4.691 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 8.464 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.711 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.403 10.395 -2.733 1.00 0.07 C ATOM 906 CG ASN B 536 -16.437 11.288 -3.391 1.00 0.63 C ATOM 907 OD1 ASN B 536 -16.097 12.225 -4.110 1.00 1.38 O ATOM 908 ND2 ASN B 536 -17.710 10.999 -3.146 1.00 1.47 N ATOM 0 H ASN B 536 -17.006 8.579 -3.183 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.736 9.524 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.786 10.045 -1.774 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.505 10.976 -2.525 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -18.450 11.565 -3.561 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -17.947 10.211 -2.543 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.681 -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 -2.115 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.734 -2.026 1.00 0.00 O ATOM 919 CB LYS B 537 -13.559 6.373 0.052 1.00 0.03 C ATOM 920 CG LYS B 537 -14.149 7.364 1.042 1.00 0.81 C ATOM 921 CD LYS B 537 -14.576 6.672 2.327 1.00 1.12 C ATOM 922 CE LYS B 537 -15.192 7.651 3.312 1.00 1.82 C ATOM 923 NZ LYS B 537 -16.430 8.278 2.774 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.488 -1.598 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.294 7.776 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.319 5.637 -0.208 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.744 5.833 0.534 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.414 8.136 1.269 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.007 7.863 0.593 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.295 5.886 2.096 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -13.713 6.189 2.785 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -15.423 7.132 4.242 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -14.467 8.428 3.552 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -16.945 8.748 3.546 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -16.177 8.979 2.049 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -17.035 7.545 2.351 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 -11.769 4.968 -4.968 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 -13.864 3.651 -4.595 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.551 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.119 3.613 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.489 2.901 -5.291 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.483 3.168 -3.839 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.461 4.383 -5.138 1.00 0.04 H new ATOM 947 N ILE B 539 -12.188 6.086 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.453 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.762 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 8.097 -6.988 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.307 7.700 -7.779 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.115 8.932 -7.849 1.00 1.12 C ATOM 954 CD1 ILE B 539 -13.014 6.883 -9.022 1.00 1.82 C ATOM 0 H ILE B 539 -13.114 6.489 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.098 6.182 -7.287 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.367 8.704 -6.138 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.970 7.129 -7.129 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.844 8.603 -8.068 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.643 9.812 -8.217 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.258 9.245 -7.253 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.770 8.336 -8.694 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -13.949 6.641 -9.527 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -12.377 7.458 -9.694 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -12.505 5.961 -8.740 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.634 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 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 7.308 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.330 9.172 -2.628 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.221 10.376 -2.946 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.070 9.615 -1.894 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.804 11.048 -1.720 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.199 -4.194 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.441 9.120 -4.587 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.885 8.494 -1.979 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.640 11.107 -3.508 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -11.036 10.052 -3.593 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.347 10.141 -0.980 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.469 8.741 -1.642 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.491 10.281 -2.534 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -11.423 11.891 -2.027 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -11.414 10.332 -1.168 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -9.996 11.405 -1.082 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.198 -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 -8.820 3.983 -2.023 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.153 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.120 5.304 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.260 3.088 -1.753 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.261 4.419 -1.127 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.611 3.719 -2.725 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.248 -4.993 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 -4.944 3.784 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.176 3.578 -7.333 1.00 0.01 C ATOM 1000 OG SER B 542 -8.556 4.883 -7.731 1.00 1.20 O ATOM 0 H SER B 542 -8.756 4.589 -5.138 1.00 0.00 H new ATOM 0 HA SER B 542 -6.916 2.601 -5.901 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.722 3.056 -8.175 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.061 3.010 -7.045 1.00 0.01 H new ATOM 0 HG SER B 542 -8.951 5.355 -6.969 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.007 5.706 -6.463 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.613 -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 -6.541 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.490 8.046 -6.905 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.465 9.040 -7.415 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -4.391 9.313 -8.614 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -3.668 9.588 -6.506 1.00 1.80 N ATOM 0 H ASN B 543 -6.818 6.184 -6.071 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.669 6.286 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.380 8.092 -7.532 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.795 8.328 -5.897 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -2.959 10.264 -6.790 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -3.764 9.333 -5.523 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.731 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 -2.124 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.864 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.269 6.247 -2.354 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.001 7.538 -1.972 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.097 5.993 -1.417 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.556 7.529 -0.563 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.283 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.066 7.140 -3.886 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.968 5.416 -2.259 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.315 8.379 -2.078 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.818 7.703 -2.674 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.457 5.943 -0.389 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.619 5.049 -1.680 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.375 6.804 -1.510 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.060 8.475 -0.364 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.267 6.710 -0.457 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.741 7.396 0.148 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.394 2.675 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 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 -3.518 1.640 -4.922 1.00 0.04 C ATOM 1044 CG MET B 545 -3.739 0.875 -3.627 1.00 0.88 C ATOM 1045 SD MET B 545 -4.133 1.952 -2.236 1.00 1.81 S ATOM 1046 CE MET B 545 -4.439 0.740 -0.953 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.013 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.669 2.394 -4.082 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.444 2.144 -5.198 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.292 0.930 -5.718 1.00 0.04 H new ATOM 0 HG2 MET B 545 -4.549 0.159 -3.767 1.00 0.88 H new ATOM 0 HG3 MET B 545 -2.843 0.300 -3.393 1.00 0.88 H new ATOM 0 HE1 MET B 545 -4.697 1.250 -0.025 1.00 2.60 H new ATOM 0 HE2 MET B 545 -5.264 0.093 -1.253 1.00 2.60 H new ATOM 0 HE3 MET B 545 -3.543 0.138 -0.800 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.207 3.422 -7.164 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.562 -8.420 1.00 0.00 C ATOM 1058 C TYR B 546 -0.144 4.208 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.869 3.697 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.329 4.400 -9.401 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.657 4.606 -10.741 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.618 3.586 -11.684 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -1.061 5.819 -11.062 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.004 3.770 -12.909 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.445 6.011 -12.284 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.423 4.985 -13.205 1.00 1.57 C ATOM 1067 OH TYR B 546 0.193 5.170 -14.421 1.00 2.08 O ATOM 0 H TYR B 546 -3.114 3.885 -7.112 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.359 2.572 -8.851 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.293 3.916 -9.559 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.531 5.373 -8.953 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.075 2.634 -11.456 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -1.079 6.626 -10.344 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -0.980 2.966 -13.630 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.017 6.959 -12.516 1.00 1.68 H new ATOM 0 HH TYR B 546 0.550 6.081 -14.471 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 1.092 6.044 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.149 5.160 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.250 4.975 -6.968 1.00 0.00 O ATOM 1081 CB ILE B 547 0.879 7.370 -6.340 1.00 0.06 C ATOM 1082 CG1 ILE B 547 0.184 7.157 -5.011 1.00 0.74 C ATOM 1083 CG2 ILE B 547 0.087 8.342 -7.202 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.033 8.423 -4.200 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 1.484 6.347 -8.077 1.00 0.00 H new ATOM 0 HB ILE B 547 1.862 7.790 -6.124 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -0.803 6.730 -5.190 1.00 0.74 H new ATOM 0 HG13 ILE B 547 0.746 6.427 -4.429 1.00 0.74 H new ATOM 0 HG21 ILE B 547 -0.060 9.275 -6.657 1.00 0.78 H new ATOM 0 HG22 ILE B 547 0.635 8.542 -8.123 1.00 0.78 H new ATOM 0 HG23 ILE B 547 -0.882 7.907 -7.445 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.473 8.196 -3.262 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.018 8.840 -3.990 1.00 1.50 H new ATOM 0 HD13 ILE B 547 -0.555 9.148 -4.763 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 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.478 2.340 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.100 2.974 -3.429 1.00 0.03 C ATOM 1101 CG1 VAL B 548 0.899 2.149 -3.853 1.00 1.40 C ATOM 1102 CG2 VAL B 548 3.125 2.107 -2.715 1.00 1.39 C ATOM 0 H VAL B 548 0.945 4.769 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.573 4.291 -4.273 1.00 0.00 H new ATOM 0 HB VAL B 548 1.750 3.738 -2.735 1.00 0.03 H new ATOM 0 HG11 VAL B 548 0.467 1.660 -2.980 1.00 1.40 H new ATOM 0 HG12 VAL B 548 0.153 2.800 -4.310 1.00 1.40 H new ATOM 0 HG13 VAL B 548 1.212 1.394 -4.574 1.00 1.40 H new ATOM 0 HG21 VAL B 548 2.655 1.613 -1.865 1.00 1.39 H new ATOM 0 HG22 VAL B 548 3.509 1.355 -3.405 1.00 1.39 H new ATOM 0 HG23 VAL B 548 3.947 2.730 -2.363 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 2.817 1.046 -7.408 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.500 -8.346 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 2.317 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.156 0.168 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.950 0.741 -7.994 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.808 -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 3.727 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.047 -9.637 1.00 0.00 O ATOM 1123 CB GLN B 550 4.260 4.645 -10.171 1.00 0.01 C ATOM 1124 CG GLN B 550 5.012 5.168 -11.384 1.00 1.12 C ATOM 1125 CD GLN B 550 4.329 6.362 -12.020 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.106 6.491 -11.974 1.00 2.25 O ATOM 1127 NE2 GLN B 550 5.119 7.245 -12.622 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.487 -8.145 1.00 0.00 H new ATOM 0 HA GLN B 550 5.068 2.643 -10.324 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.232 4.426 -10.459 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.219 5.429 -9.415 1.00 0.01 H new ATOM 0 HG2 GLN B 550 6.023 5.447 -11.088 1.00 1.12 H new ATOM 0 HG3 GLN B 550 5.104 4.371 -12.122 1.00 1.12 H new ATOM 0 HE21 GLN B 550 6.128 7.099 -12.637 1.00 2.27 H new ATOM 0 HE22 GLN B 550 4.716 8.068 -13.069 1.00 2.27 H new ATOM 1136 N TYR B 551 6.302 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.907 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 -4.871 1.00 0.00 O ATOM 1140 CB TYR B 551 7.265 5.218 -6.012 1.00 0.08 C ATOM 1141 CG TYR B 551 6.995 6.485 -6.794 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.039 7.227 -7.333 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.698 6.937 -6.994 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.796 8.382 -8.052 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.446 8.091 -7.712 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.499 8.811 -8.237 1.00 2.65 C ATOM 1147 OH TYR B 551 6.253 9.960 -8.954 1.00 3.53 O ATOM 0 H TYR B 551 5.543 3.321 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.254 4.249 -7.675 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.414 5.010 -5.363 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.129 5.374 -5.366 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.057 6.896 -7.188 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.871 6.377 -6.582 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.618 8.946 -8.467 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.430 8.427 -7.861 1.00 1.91 H new ATOM 0 HH TYR B 551 5.287 10.121 -8.992 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 0.636 -6.028 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.050 -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 9.458 -0.369 -7.139 1.00 0.01 C ATOM 1162 CG PRO B 552 9.365 0.398 -8.419 1.00 0.46 C ATOM 1163 CD PRO B 552 8.346 1.479 -8.190 1.00 0.02 C ATOM 0 HA PRO B 552 8.456 0.238 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.458 -0.781 -7.001 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.764 -1.209 -7.134 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.331 0.825 -8.687 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.064 -0.252 -9.241 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.553 2.365 -8.790 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.339 1.149 -8.446 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.914 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.484 2.259 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.267 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.958 2.403 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.208 3.307 -6.108 1.00 0.01 C ATOM 1176 CG ARG B 553 14.599 3.650 -5.599 1.00 1.17 C ATOM 1177 CD ARG B 553 15.574 2.504 -5.819 1.00 1.73 C ATOM 1178 NE ARG B 553 15.768 2.217 -7.238 1.00 2.26 N ATOM 1179 CZ ARG B 553 16.774 1.490 -7.715 1.00 3.06 C ATOM 1180 NH1 ARG B 553 17.676 0.976 -6.889 1.00 3.50 N ATOM 1181 NH2 ARG B 553 16.880 1.280 -9.019 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.383 -6.745 1.00 0.00 H new ATOM 0 HA ARG B 553 13.102 1.362 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG B 553 13.285 2.942 -7.132 1.00 0.01 H new ATOM 0 HB3 ARG B 553 12.607 4.216 -6.138 1.00 0.01 H new ATOM 0 HG2 ARG B 553 14.964 4.542 -6.109 1.00 1.17 H new ATOM 0 HG3 ARG B 553 14.550 3.888 -4.536 1.00 1.17 H new ATOM 0 HD2 ARG B 553 16.533 2.752 -5.364 1.00 1.73 H new ATOM 0 HD3 ARG B 553 15.204 1.611 -5.316 1.00 1.73 H new ATOM 0 HE ARG B 553 15.093 2.596 -7.902 1.00 2.26 H new ATOM 0 HH11 ARG B 553 17.599 1.138 -5.885 1.00 3.50 H new ATOM 0 HH12 ARG B 553 18.447 0.419 -7.258 1.00 3.50 H new ATOM 0 HH21 ARG B 553 16.190 1.676 -9.657 1.00 3.87 H new ATOM 0 HH22 ARG B 553 17.652 0.722 -9.385 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.697 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.769 4.142 -2.432 1.00 0.00 C ATOM 1197 C PHE B 554 10.405 2.963 -1.518 1.00 0.00 C ATOM 1198 O PHE B 554 10.935 2.835 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.538 5.024 -2.650 1.00 0.03 C ATOM 1200 CG PHE B 554 9.077 5.725 -1.403 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.823 6.760 -0.862 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.901 5.349 -0.771 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.408 7.406 0.287 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.482 5.992 0.379 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.236 7.022 0.908 1.00 0.48 C ATOM 0 H PHE B 554 10.864 4.152 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.552 4.717 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.764 5.768 -3.414 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.724 4.410 -3.035 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.740 7.065 -1.344 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.307 4.546 -1.181 1.00 0.59 H new ATOM 0 HE1 PHE B 554 10.000 8.210 0.699 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.566 5.689 0.864 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.909 7.526 1.806 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 9.030 0.956 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.114 -0.794 1.00 0.00 C ATOM 1218 O LEU B 555 10.322 -0.251 0.378 1.00 0.00 O ATOM 1219 CB LEU B 555 8.057 0.127 -2.063 1.00 0.03 C ATOM 1220 CG LEU B 555 6.852 -0.432 -1.305 1.00 0.54 C ATOM 1221 CD1 LEU B 555 5.947 0.697 -0.835 1.00 1.49 C ATOM 1222 CD2 LEU B 555 6.079 -1.409 -2.178 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 8.512 1.307 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU B 555 7.694 0.745 -2.884 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.604 -0.705 -2.508 1.00 0.03 H new ATOM 0 HG LEU B 555 7.215 -0.968 -0.428 1.00 0.54 H new ATOM 0 HD11 LEU B 555 5.095 0.281 -0.298 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.505 1.359 -0.173 1.00 1.49 H new ATOM 0 HD13 LEU B 555 5.592 1.261 -1.697 1.00 1.49 H new ATOM 0 HD21 LEU B 555 5.225 -1.797 -1.622 1.00 1.34 H new ATOM 0 HD22 LEU B 555 5.727 -0.897 -3.073 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.730 -2.235 -2.465 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.011 -1.532 1.00 0.00 C ATOM 1236 C ARG B 556 13.131 -0.534 -0.370 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 13.069 -1.058 -2.820 1.00 0.02 C ATOM 1239 CG ARG B 556 14.305 -1.935 -2.735 1.00 1.02 C ATOM 1240 CD ARG B 556 15.072 -1.934 -4.046 1.00 1.14 C ATOM 1241 NE ARG B 556 16.264 -2.777 -3.986 1.00 1.74 N ATOM 1242 CZ ARG B 556 16.898 -3.235 -5.061 1.00 2.13 C ATOM 1243 NH1 ARG B 556 16.458 -2.934 -6.276 1.00 1.99 N ATOM 1244 NH2 ARG B 556 17.974 -3.997 -4.923 1.00 3.09 N ATOM 0 H ARG B 556 10.983 0.163 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.883 -2.001 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.436 -1.419 -3.631 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.374 -0.044 -3.080 1.00 0.02 H new ATOM 0 HG2 ARG B 556 14.951 -1.580 -1.932 1.00 1.02 H new ATOM 0 HG3 ARG B 556 14.014 -2.954 -2.482 1.00 1.02 H new ATOM 0 HD2 ARG B 556 14.421 -2.284 -4.847 1.00 1.14 H new ATOM 0 HD3 ARG B 556 15.362 -0.913 -4.295 1.00 1.14 H new ATOM 0 HE ARG B 556 16.630 -3.028 -3.068 1.00 1.74 H new ATOM 0 HH11 ARG B 556 15.630 -2.349 -6.388 1.00 1.99 H new ATOM 0 HH12 ARG B 556 16.948 -3.288 -7.098 1.00 1.99 H new ATOM 0 HH21 ARG B 556 18.316 -4.232 -3.991 1.00 3.09 H new ATOM 0 HH22 ARG B 556 18.460 -4.348 -5.748 1.00 3.09 H new ATOM 1258 N ALA B 557 13.236 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 1.434 2.180 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 14.620 2.699 0.415 1.00 0.00 C ATOM 0 H ALA B 557 12.746 1.473 -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 15.262 3.102 1.199 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.192 2.601 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.780 3.374 0.251 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 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 10.362 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.475 2.695 3.404 1.00 0.08 C ATOM 1273 CG HIS B 558 11.324 3.920 3.265 1.00 1.15 C ATOM 1274 ND1 HIS B 558 12.244 4.310 4.216 1.00 2.12 N ATOM 1275 CD2 HIS B 558 11.399 4.840 2.273 1.00 2.10 C ATOM 1276 CE1 HIS B 558 12.847 5.415 3.815 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.354 5.757 2.640 1.00 2.91 N ATOM 0 H HIS B 558 11.502 1.038 1.366 1.00 0.00 H new ATOM 0 HA HIS B 558 12.022 1.424 4.248 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.773 2.651 2.572 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.884 2.772 4.316 1.00 0.08 H new ATOM 0 HD1 HIS B 558 12.430 3.822 5.092 1.00 2.12 H new ATOM 0 HD2 HIS B 558 10.817 4.850 1.363 1.00 2.10 H new ATOM 0 HE1 HIS B 558 13.614 5.948 4.357 1.00 2.93 H new ATOM 1286 N TRP B 559 10.925 -0.883 4.261 1.00 0.00 N ATOM 1287 CA TRP B 559 10.155 -2.119 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 11.047 -3.134 5.246 1.00 0.02 C ATOM 1291 CG TRP B 559 12.516 -2.874 5.090 1.00 1.09 C ATOM 1292 CD1 TRP B 559 13.366 -3.464 4.199 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.310 -1.953 5.850 1.00 1.54 C ATOM 1294 NE1 TRP B 559 14.638 -2.969 4.358 1.00 2.97 N ATOM 1295 CE2 TRP B 559 14.629 -2.038 5.364 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.032 -1.063 6.891 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 15.665 -1.267 5.885 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 14.061 -0.299 7.407 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.364 -0.404 6.904 1.00 3.08 C ATOM 0 H TRP B 559 11.913 -0.947 4.507 1.00 0.00 H new ATOM 0 HA TRP B 559 9.847 -2.453 3.528 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.798 -3.128 6.307 1.00 0.02 H new ATOM 0 HB3 TRP B 559 10.823 -4.133 4.872 1.00 0.02 H new ATOM 0 HD1 TRP B 559 13.080 -4.212 3.474 1.00 2.27 H new ATOM 0 HE1 TRP B 559 15.455 -3.249 3.816 1.00 2.97 H new ATOM 0 HE3 TRP B 559 12.030 -0.974 7.285 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 16.670 -1.347 5.499 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 13.857 0.391 8.212 1.00 2.76 H new ATOM 0 HH2 TRP B 559 16.146 0.208 7.328 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 7.766 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.493 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.680 6.712 1.00 0.00 O ATOM 1314 CB LYS B 560 8.141 -0.141 8.479 1.00 0.01 C ATOM 1315 CG LYS B 560 9.235 -0.736 9.352 1.00 1.26 C ATOM 1316 CD LYS B 560 8.792 -2.041 9.995 1.00 1.83 C ATOM 1317 CE LYS B 560 9.902 -2.655 10.832 1.00 2.58 C ATOM 1318 NZ LYS B 560 9.485 -3.947 11.445 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 7.423 -1.989 7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.467 0.833 8.116 1.00 0.01 H new ATOM 0 HB3 LYS B 560 7.253 0.027 9.088 1.00 0.01 H new ATOM 0 HG2 LYS B 560 10.127 -0.911 8.750 1.00 1.26 H new ATOM 0 HG3 LYS B 560 9.510 -0.022 10.129 1.00 1.26 H new ATOM 0 HD2 LYS B 560 7.919 -1.861 10.622 1.00 1.83 H new ATOM 0 HD3 LYS B 560 8.488 -2.745 9.220 1.00 1.83 H new ATOM 0 HE2 LYS B 560 10.781 -2.816 10.208 1.00 2.58 H new ATOM 0 HE3 LYS B 560 10.193 -1.957 11.618 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 9.837 -3.997 12.422 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 8.447 -4.011 11.448 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 9.879 -4.736 10.894 1.00 3.32 H new ATOM 1332 N PHE B 561 6.957 0.520 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.089 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.431 0.093 3.656 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.061 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.415 2.375 4.064 1.00 0.03 C ATOM 1337 CG PHE B 561 5.332 3.390 3.835 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.257 3.101 3.008 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.383 4.628 4.454 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.256 4.030 2.803 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.384 5.561 4.251 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.319 5.261 3.424 1.00 1.14 C ATOM 0 H PHE B 561 7.903 0.857 5.390 1.00 0.00 H new ATOM 0 HA PHE B 561 5.066 1.319 5.372 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.192 2.818 4.687 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.876 2.125 3.108 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.202 2.139 2.519 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.213 4.867 5.103 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.424 3.793 2.157 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.436 6.523 4.738 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.537 5.988 3.264 1.00 1.14 H new ATOM 1352 N LEU B 562 6.375 -0.579 2.996 1.00 0.00 N ATOM 1353 CA LEU B 562 6.060 -1.621 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 3.984 -2.805 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.347 -2.336 1.614 1.00 0.03 C ATOM 1357 CG LEU B 562 7.174 -3.442 0.572 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.393 -3.510 -0.335 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.948 -4.783 1.252 1.00 1.23 C ATOM 0 H LEU B 562 7.374 -0.412 3.115 1.00 0.00 H new ATOM 0 HA LEU B 562 5.596 -1.169 1.160 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.041 -1.594 1.219 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.811 -2.766 2.501 1.00 0.03 H new ATOM 0 HG LEU B 562 6.299 -3.210 -0.036 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.255 -4.302 -1.071 1.00 1.32 H new ATOM 0 HD12 LEU B 562 8.519 -2.556 -0.847 1.00 1.32 H new ATOM 0 HD13 LEU B 562 9.280 -3.721 0.263 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.827 -5.559 0.496 1.00 1.23 H new ATOM 0 HD22 LEU B 562 7.805 -5.021 1.882 1.00 1.23 H new ATOM 0 HD23 LEU B 562 6.049 -4.732 1.867 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.249 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 -3.693 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.431 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.250 -4.635 5.764 1.00 0.03 C ATOM 1376 CG LYS B 563 4.416 -5.615 6.570 1.00 1.29 C ATOM 1377 CD LYS B 563 5.112 -6.006 7.863 1.00 1.53 C ATOM 1378 CE LYS B 563 4.236 -6.910 8.715 1.00 2.10 C ATOM 1379 NZ LYS B 563 2.950 -6.252 9.076 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.110 4.194 1.00 0.00 H new ATOM 0 HA LYS B 563 4.493 -5.068 3.773 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.221 -5.084 5.554 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.434 -3.746 6.367 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.447 -5.169 6.797 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.224 -6.507 5.974 1.00 1.29 H new ATOM 0 HD2 LYS B 563 6.048 -6.515 7.634 1.00 1.53 H new ATOM 0 HD3 LYS B 563 5.367 -5.108 8.426 1.00 1.53 H new ATOM 0 HE2 LYS B 563 4.032 -7.834 8.174 1.00 2.10 H new ATOM 0 HE3 LYS B 563 4.772 -7.184 9.624 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 2.521 -6.748 9.883 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 3.128 -5.260 9.334 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 2.302 -6.288 8.264 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.411 5.073 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 0.948 -1.595 4.220 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 2.035 -0.428 6.159 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.913 0.409 5.403 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.597 -0.631 7.558 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.782 5.109 1.00 0.00 H new ATOM 0 HA THR B 564 1.346 -2.452 6.156 1.00 0.00 H new ATOM 0 HB THR B 564 1.062 0.057 6.239 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.193 -0.061 4.590 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.731 0.337 8.040 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.905 -1.236 8.144 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.559 -1.140 7.493 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 1.839 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.512 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.764 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.802 -0.565 0.753 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.090 -0.524 -0.593 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.280 0.822 1.158 1.00 1.18 C ATOM 0 H VAL B 565 2.561 -0.972 3.079 1.00 0.00 H new ATOM 0 HA VAL B 565 0.029 -0.484 1.994 1.00 0.00 H new ATOM 0 HB VAL B 565 2.672 -1.214 0.650 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.760 -0.110 -1.347 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.799 -1.534 -0.882 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.201 0.101 -0.515 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.931 1.224 0.382 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.420 1.480 1.287 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.831 0.757 2.096 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.562 1.548 1.00 0.00 N ATOM 1424 CA VAL B 566 0.756 -4.880 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.384 -5.447 1.905 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 1.941 -5.862 1.095 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.536 -7.207 0.510 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.129 -5.283 0.344 1.00 1.36 C ATOM 0 H VAL B 566 2.053 -3.527 2.014 1.00 0.00 H new ATOM 0 HA VAL B 566 0.423 -4.760 0.035 1.00 0.00 H new ATOM 0 HB VAL B 566 2.235 -6.018 2.133 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.387 -7.888 0.539 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.716 -7.626 1.094 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.214 -7.073 -0.523 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.958 -5.990 0.374 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.848 -5.097 -0.693 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.433 -4.346 0.811 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.204 -5.433 3.217 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 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 -0.876 -5.518 5.569 1.00 0.01 C ATOM 1444 CG ASN B 567 -0.160 -6.716 6.163 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -0.787 -7.603 6.741 1.00 1.94 O ATOM 1446 ND2 ASN B 567 1.159 -6.748 6.025 1.00 1.91 N ATOM 0 H ASN B 567 0.678 -5.204 3.676 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.532 -6.810 3.975 1.00 0.00 H new ATOM 0 HB2 ASN B 567 -0.224 -4.646 5.618 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -1.758 -5.290 6.168 1.00 0.01 H new ATOM 0 HD21 ASN B 567 1.693 -7.529 6.406 1.00 1.91 H new ATOM 0 HD22 ASN B 567 1.639 -5.991 5.538 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 -3.539 -2.831 3.120 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.143 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.129 -1.357 3.066 1.00 0.02 C ATOM 1458 CG LYS B 568 -3.021 -0.700 4.434 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.360 -0.675 5.153 1.00 1.74 C ATOM 1460 CE LYS B 568 -4.260 0.036 6.493 1.00 2.68 C ATOM 1461 NZ LYS B 568 -3.206 -0.558 7.360 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.229 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.275 -2.946 3.915 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.169 -1.275 2.557 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -3.856 -0.809 2.466 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -2.293 -1.239 5.040 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -2.650 0.319 4.320 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -5.100 -0.174 4.529 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -4.711 -1.696 5.307 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -4.042 1.091 6.329 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -5.222 -0.015 7.004 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -3.532 -0.564 8.348 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -3.013 -1.533 7.053 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -2.336 0.007 7.286 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.317 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.228 -0.391 1.00 0.00 C ATOM 1477 C LEU B 569 -4.585 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.842 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.595 -4.508 -1.327 1.00 0.05 C ATOM 1480 CG LEU B 569 -1.922 -3.268 -1.921 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -0.735 -3.671 -2.782 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -2.920 -2.455 -2.734 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.777 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.401 -3.473 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.846 -5.080 -0.779 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.943 -5.139 -2.145 1.00 0.05 H new ATOM 0 HG LEU B 569 -1.560 -2.646 -1.102 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -0.267 -2.778 -3.197 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -0.010 -4.211 -2.173 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -1.076 -4.313 -3.594 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -2.423 -1.578 -3.148 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -3.312 -3.067 -3.546 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -3.740 -2.137 -2.091 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.158 -6.320 0.812 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.146 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 1.396 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.053 -8.374 2.163 1.00 0.02 C ATOM 1499 CG PHE B 570 -4.831 -8.846 3.367 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -5.775 -9.855 3.245 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -4.623 -8.281 4.616 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -6.493 -10.290 4.343 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -5.338 -8.711 5.717 1.00 3.12 C ATOM 1504 CZ PHE B 570 -6.254 -9.718 5.593 1.00 3.77 C ATOM 0 H PHE B 570 -3.328 -6.143 1.378 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.994 -8.153 0.244 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.635 -9.243 1.655 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -3.213 -7.770 2.505 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -5.951 -10.306 2.280 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -3.892 -7.494 4.730 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -7.234 -11.068 4.234 1.00 3.25 H new ATOM 0 HE2 PHE B 570 -5.173 -8.250 6.679 1.00 3.12 H new ATOM 0 HZ PHE B 570 -6.792 -10.070 6.461 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.312 -6.170 2.508 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.734 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.870 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 -4.506 3.920 1.00 0.01 C ATOM 1519 CG GLU B 571 -6.806 -4.819 5.272 1.00 1.13 C ATOM 1520 CD GLU B 571 -7.738 -5.611 6.168 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -7.834 -6.842 5.985 1.00 2.47 O ATOM 1522 OE2 GLU B 571 -8.372 -4.999 7.053 1.00 1.97 O ATOM 0 H GLU B 571 -5.511 -5.617 2.814 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.021 -6.544 3.619 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.801 -3.776 3.404 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -8.398 -4.040 4.075 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -5.884 -5.382 5.124 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -6.535 -3.887 5.768 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 -9.404 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.084 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.266 -3.037 -0.943 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.259 -1.692 -0.264 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -7.895 -1.569 1.070 1.00 1.02 C ATOM 1536 CD2 PHE B 572 -8.617 -0.551 -0.961 1.00 1.03 C ATOM 1537 CE1 PHE B 572 -7.891 -0.334 1.691 1.00 1.21 C ATOM 1538 CE2 PHE B 572 -8.615 0.686 -0.345 1.00 1.23 C ATOM 1539 CZ PHE B 572 -8.252 0.794 0.982 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.137 0.952 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.893 -3.753 0.308 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.237 -3.345 -1.129 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.750 -2.940 -1.915 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -7.612 -2.448 1.629 1.00 1.02 H new ATOM 0 HD2 PHE B 572 -8.902 -0.628 -2.000 1.00 1.03 H new ATOM 0 HE1 PHE B 572 -7.606 -0.252 2.729 1.00 1.21 H new ATOM 0 HE2 PHE B 572 -8.897 1.567 -0.902 1.00 1.23 H new ATOM 0 HZ PHE B 572 -8.250 1.760 1.465 1.00 0.99 H new ATOM 1549 N MET B 573 -8.818 -6.466 -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 -8.156 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.111 -9.052 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.113 -8.669 -1.748 1.00 0.03 C ATOM 1554 CG MET B 573 -6.833 -8.269 -2.464 1.00 0.87 C ATOM 1555 SD MET B 573 -5.505 -9.468 -2.241 1.00 1.42 S ATOM 1556 CE MET B 573 -6.242 -10.933 -2.961 1.00 2.11 C ATOM 0 H MET B 573 -8.086 -6.668 -0.263 1.00 0.00 H new ATOM 0 HA MET B 573 -9.306 -7.245 -2.809 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.880 -8.907 -0.710 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.505 -9.579 -2.203 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.038 -8.154 -3.528 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.505 -7.297 -2.096 1.00 0.87 H new ATOM 0 HE1 MET B 573 -5.473 -11.692 -3.109 1.00 2.11 H new ATOM 0 HE2 MET B 573 -7.010 -11.320 -2.292 1.00 2.11 H new ATOM 0 HE3 MET B 573 -6.692 -10.680 -3.921 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.994 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.938 0.329 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 -12.212 -8.335 1.803 1.00 0.02 C ATOM 1571 CG HIS B 574 -11.374 -9.552 2.040 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -10.101 -9.500 2.564 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -11.637 -10.863 1.824 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -9.616 -10.726 2.658 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -10.529 -11.570 2.217 1.00 3.20 N ATOM 0 H HIS B 574 -10.479 -6.929 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.693 -8.780 -0.248 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.796 -7.501 2.368 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.215 -8.513 2.190 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -12.549 -11.275 1.418 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -8.638 -10.992 3.032 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -10.428 -12.584 2.175 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -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 -4.804 -1.743 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 -12.744 -3.295 -1.003 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.505 -1.979 -1.013 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.231 -1.715 0.292 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -15.391 -2.158 0.427 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -13.640 -1.063 1.177 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.565 -0.668 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.165 -4.249 0.257 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.924 -3.225 -0.288 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.299 -3.455 -1.985 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.810 -1.163 -1.209 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.226 -1.987 -1.830 1.00 0.96 H new ATOM 1599 N THR B 576 -15.880 -4.491 -1.487 1.00 0.00 N ATOM 1600 CA THR B 576 -16.917 -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 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.262 -5.071 -1.751 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.689 -3.900 -1.042 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.146 -6.239 -0.784 1.00 1.40 C ATOM 0 H THR B 576 -16.203 -4.031 -0.636 1.00 0.00 H new ATOM 0 HA THR B 576 -16.576 -5.697 -2.969 1.00 0.00 H new ATOM 0 HB THR B 576 -18.998 -5.324 -2.514 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.546 -4.079 -0.601 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.109 -6.410 -0.303 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.849 -7.135 -1.329 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.397 -6.011 -0.026 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -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 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.573 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.439 -0.050 -3.446 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.908 1.175 -4.167 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -17.919 1.985 -3.694 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -16.504 1.727 -5.336 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -18.116 2.980 -4.540 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.270 2.846 -5.544 1.00 2.79 N ATOM 0 H HIS B 577 -16.195 -2.239 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.032 -1.293 -4.211 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.764 0.001 -2.407 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.349 -0.064 -3.438 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -15.724 1.355 -5.984 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -18.845 3.769 -4.429 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -17.197 3.473 -6.345 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 -0.001 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.793 -1.118 -8.829 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.918 0.389 -8.712 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -18.695 0.856 -7.852 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -17.239 1.102 -9.481 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.027 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.732 -2.782 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.514 -1.378 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -18.763 -1.576 -8.637 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 -1.883 -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 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.472 -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 -11.875 -1.429 -4.553 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -12.840 -2.549 -4.207 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -10.785 -1.307 -3.502 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.412 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.574 -0.855 -6.196 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.431 -0.492 -4.570 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -13.265 -2.371 -3.219 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -13.641 -2.580 -4.946 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -12.308 -3.501 -4.208 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -11.239 -1.144 -2.524 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -10.196 -2.224 -3.480 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -10.137 -0.465 -3.746 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.085 -5.981 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 -6.118 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.583 -6.504 -5.981 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.546 -6.414 -7.154 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.640 -7.461 -7.093 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.484 -8.568 -7.608 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.758 -7.114 -6.465 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.118 -6.037 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.940 -5.455 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.081 -7.471 -6.008 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -12.151 -6.465 -5.052 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -12.998 -5.422 -7.173 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -11.990 -6.528 -8.085 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -14.844 -6.185 -6.052 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -15.530 -7.776 -6.395 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 -9.101 -5.107 -9.473 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.245 1.00 0.00 C ATOM 1686 O ASP B 582 -6.774 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.873 -4.637 -10.706 1.00 0.00 C ATOM 1688 CG ASP B 582 -11.059 -5.529 -11.016 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -12.151 -5.278 -10.464 1.00 2.23 O ATOM 1690 OD2 ASP B 582 -10.896 -6.479 -11.812 1.00 1.15 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 -8.730 -6.120 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.221 -3.616 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -9.203 -4.615 -11.565 1.00 0.00 H new ATOM 1695 N MET B 583 -8.110 -3.035 -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 -4.844 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.546 -0.854 -7.676 1.00 0.02 C ATOM 1700 CG MET B 583 -6.465 0.178 -7.393 1.00 1.14 C ATOM 1701 SD MET B 583 -5.483 0.580 -8.853 1.00 1.87 S ATOM 1702 CE MET B 583 -6.754 1.150 -9.979 1.00 2.58 C ATOM 0 H MET B 583 -9.035 -2.687 -8.385 1.00 0.00 H new ATOM 0 HA MET B 583 -6.465 -1.903 -9.201 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.284 -0.419 -8.350 1.00 0.02 H new ATOM 0 HB3 MET B 583 -8.064 -1.090 -6.746 1.00 0.02 H new ATOM 0 HG2 MET B 583 -6.928 1.087 -7.011 1.00 1.14 H new ATOM 0 HG3 MET B 583 -5.806 -0.198 -6.610 1.00 1.14 H new ATOM 0 HE1 MET B 583 -6.884 0.422 -10.780 1.00 2.58 H new ATOM 0 HE2 MET B 583 -7.693 1.266 -9.439 1.00 2.58 H new ATOM 0 HE3 MET B 583 -6.459 2.109 -10.405 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.419 -6.266 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.815 -4.059 -5.233 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.143 -5.815 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.712 -4.642 -4.152 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.460 -6.102 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.173 -3.297 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.098 -5.117 -3.387 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.303 -3.845 -3.700 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.379 -5.383 -4.593 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.454 -5.954 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.045 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.267 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.597 -8.062 -7.947 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.734 -9.472 -8.677 1.00 1.50 S ATOM 0 H CYS B 585 -6.407 -5.877 -7.074 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.146 -7.519 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.314 -8.429 -7.212 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.169 -7.557 -8.726 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.452 -10.545 -8.527 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.593 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.142 -5.025 -10.110 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.889 -3.982 -10.941 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.047 -3.445 -12.083 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.263 -2.501 -11.849 1.00 1.98 O ATOM 1740 OD2 ASP B 586 -3.172 -3.969 -13.210 1.00 0.87 O ATOM 0 H ASP B 586 -4.961 -5.187 -9.092 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.818 -5.841 -10.755 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.801 -4.425 -11.342 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.192 -3.157 -10.297 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 1.062 -3.979 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.583 -2.074 -6.576 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.395 -2.822 -5.663 1.00 1.24 O ATOM 1751 CG2 THR B 587 -2.407 -0.956 -7.192 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.371 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.430 -2.412 -8.357 1.00 0.00 H new ATOM 0 HB THR B 587 -0.742 -1.636 -6.039 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.240 -3.062 -6.098 1.00 1.24 H new ATOM 0 HG21 THR B 587 -2.788 -0.308 -6.403 1.00 1.30 H new ATOM 0 HG22 THR B 587 -1.782 -0.374 -7.869 1.00 1.30 H new ATOM 0 HG23 THR B 587 -3.243 -1.383 -7.746 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 0.882 -6.874 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.089 -7.195 -5.259 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.435 -8.357 -4.565 1.00 0.16 C ATOM 1765 CD1 PHE B 588 -0.013 -8.248 -3.250 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.241 -9.556 -5.230 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.590 -9.312 -2.609 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.361 -10.626 -4.595 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.772 -10.507 -3.284 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 -5.730 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.751 -6.690 -4.556 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.713 -7.572 -6.069 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.158 -7.319 -2.719 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.564 -9.656 -6.256 1.00 0.45 H new ATOM 0 HE1 PHE B 588 0.918 -9.212 -1.585 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.509 -11.555 -5.125 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.235 -11.345 -2.784 1.00 0.53 H new ATOM 1779 N ILE B 589 0.547 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.426 -7.698 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.281 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 0.706 -8.166 -10.186 1.00 0.03 C ATOM 1784 CG1 ILE B 589 -0.485 -9.066 -9.836 1.00 1.34 C ATOM 1785 CG2 ILE B 589 1.675 -8.894 -11.109 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -0.101 -10.332 -9.097 1.00 1.97 C ATOM 0 H ILE B 589 -0.274 -6.532 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.754 -8.582 -8.355 1.00 0.00 H new ATOM 0 HB ILE B 589 0.330 -7.287 -10.709 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -1.189 -8.500 -9.226 1.00 1.34 H new ATOM 0 HG13 ILE B 589 -1.006 -9.337 -10.755 1.00 1.34 H new ATOM 0 HG21 ILE B 589 1.149 -9.216 -12.008 1.00 1.31 H new ATOM 0 HG22 ILE B 589 2.488 -8.223 -11.385 1.00 1.31 H new ATOM 0 HG23 ILE B 589 2.082 -9.765 -10.595 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -0.997 -10.915 -8.885 1.00 1.97 H new ATOM 0 HD12 ILE B 589 0.578 -10.921 -9.713 1.00 1.97 H new ATOM 0 HD13 ILE B 589 0.392 -10.071 -8.161 1.00 1.97 H new ATOM 1798 N LYS B 590 2.394 -5.544 -9.460 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.611 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.705 -8.596 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 2.938 -3.179 -9.867 1.00 0.01 C ATOM 1803 CG LYS B 590 2.111 -2.939 -11.122 1.00 0.99 C ATOM 1804 CD LYS B 590 2.956 -3.055 -12.381 1.00 1.52 C ATOM 1805 CE LYS B 590 2.166 -2.670 -13.623 1.00 2.04 C ATOM 1806 NZ LYS B 590 1.710 -1.253 -13.576 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.119 -9.414 1.00 0.00 H new ATOM 0 HA LYS B 590 3.944 -4.865 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.329 -2.950 -8.993 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.779 -2.486 -9.860 1.00 0.01 H new ATOM 0 HG2 LYS B 590 1.295 -3.660 -11.164 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.659 -1.948 -11.077 1.00 0.99 H new ATOM 0 HD2 LYS B 590 3.832 -2.412 -12.293 1.00 1.52 H new ATOM 0 HD3 LYS B 590 3.320 -4.077 -12.483 1.00 1.52 H new ATOM 0 HE2 LYS B 590 2.784 -2.823 -14.508 1.00 2.04 H new ATOM 0 HE3 LYS B 590 1.301 -3.326 -13.721 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 1.437 -0.944 -14.531 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 0.892 -1.173 -12.939 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 2.482 -0.651 -13.225 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 -5.968 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 3.983 -4.290 -4.891 1.00 0.04 C ATOM 1825 CG1 ILE B 591 2.967 -5.384 -4.581 1.00 1.27 C ATOM 1826 CG2 ILE B 591 3.292 -2.942 -5.046 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.308 -5.235 -3.228 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 5.519 -3.828 -6.320 1.00 0.00 H new ATOM 0 HB ILE B 591 4.676 -4.235 -4.052 1.00 0.04 H new ATOM 0 HG12 ILE B 591 2.197 -5.382 -5.353 1.00 1.27 H new ATOM 0 HG13 ILE B 591 3.464 -6.353 -4.629 1.00 1.27 H new ATOM 0 HG21 ILE B 591 2.726 -2.717 -4.142 1.00 1.28 H new ATOM 0 HG22 ILE B 591 4.040 -2.166 -5.208 1.00 1.28 H new ATOM 0 HG23 ILE B 591 2.615 -2.976 -5.899 1.00 1.28 H new ATOM 0 HD11 ILE B 591 1.598 -6.048 -3.077 1.00 1.96 H new ATOM 0 HD12 ILE B 591 3.068 -5.268 -2.447 1.00 1.96 H new ATOM 0 HD13 ILE B 591 1.782 -4.281 -3.183 1.00 1.96 H new ATOM 1839 N ALA B 592 4.879 -7.058 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -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 -6.796 1.00 0.00 O ATOM 1843 CB ALA B 592 4.529 -9.477 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.892 -7.102 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.011 -8.393 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.036 -10.438 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.785 -9.386 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.036 -9.414 -7.168 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 7.525 -8.107 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.235 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.755 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.033 -7.619 -10.676 1.00 0.01 C ATOM 1854 CG GLN B 593 8.106 -7.631 -11.754 1.00 1.09 C ATOM 1855 CD GLN B 593 7.566 -7.243 -13.117 1.00 1.64 C ATOM 1856 OE1 GLN B 593 7.548 -6.066 -13.477 1.00 2.36 O ATOM 1857 NE2 GLN B 593 7.125 -8.234 -13.881 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 7.865 -9.137 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.201 -8.245 -10.997 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.647 -6.605 -10.572 1.00 0.01 H new ATOM 0 HG2 GLN B 593 8.905 -6.944 -11.474 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.547 -8.626 -11.812 1.00 1.09 H new ATOM 0 HE21 GLN B 593 7.160 -9.195 -13.540 1.00 2.26 H new ATOM 0 HE22 GLN B 593 6.751 -8.035 -14.809 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.484 1.00 0.00 C ATOM 1868 C LYS B 594 10.149 -5.101 -7.091 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.648 -6.894 1.00 0.00 O ATOM 1870 CB LYS B 594 8.914 -3.545 -8.612 1.00 0.01 C ATOM 1871 CG LYS B 594 8.365 -3.236 -9.996 1.00 0.52 C ATOM 1872 CD LYS B 594 9.465 -3.211 -11.046 1.00 1.21 C ATOM 1873 CE LYS B 594 8.900 -2.971 -12.438 1.00 1.59 C ATOM 1874 NZ LYS B 594 8.127 -1.701 -12.512 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.096 1.00 0.00 H new ATOM 0 HA LYS B 594 10.314 -5.135 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS B 594 8.116 -3.426 -7.879 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.684 -2.815 -8.365 1.00 0.01 H new ATOM 0 HG2 LYS B 594 7.620 -3.984 -10.267 1.00 0.52 H new ATOM 0 HG3 LYS B 594 7.857 -2.272 -9.979 1.00 0.52 H new ATOM 0 HD2 LYS B 594 10.183 -2.428 -10.804 1.00 1.21 H new ATOM 0 HD3 LYS B 594 10.007 -4.157 -11.030 1.00 1.21 H new ATOM 0 HE2 LYS B 594 9.715 -2.942 -13.161 1.00 1.59 H new ATOM 0 HE3 LYS B 594 8.256 -3.805 -12.717 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 7.918 -1.479 -13.506 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 7.236 -1.806 -11.986 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 8.686 -0.929 -12.095 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 10.051 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.210 -7.318 -4.326 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 9.213 -5.097 -3.775 1.00 0.01 C ATOM 1893 SG CYS B 595 7.834 -6.029 -3.068 1.00 1.26 S ATOM 0 H CYS B 595 8.555 -6.158 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.058 -5.464 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS B 595 9.863 -4.765 -2.966 1.00 0.01 H new ATOM 0 HB3 CYS B 595 8.821 -4.201 -4.257 1.00 0.01 H new ATOM 0 HG CYS B 595 7.031 -6.404 -4.019 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -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 -3.901 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.146 1.00 0.00 O ATOM 1903 CB ARG B 596 10.664 -10.410 -6.314 1.00 0.01 C ATOM 1904 CG ARG B 596 9.733 -11.574 -6.624 1.00 1.21 C ATOM 1905 CD ARG B 596 9.809 -12.662 -5.564 1.00 1.42 C ATOM 1906 NE ARG B 596 8.907 -12.403 -4.444 1.00 2.09 N ATOM 1907 CZ ARG B 596 8.253 -13.358 -3.789 1.00 2.60 C ATOM 1908 NH1 ARG B 596 8.416 -14.630 -4.126 1.00 2.53 N ATOM 1909 NH2 ARG B 596 7.440 -13.042 -2.790 1.00 3.58 N ATOM 0 H ARG B 596 10.418 -7.978 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.311 -9.878 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.641 -9.709 -7.148 1.00 0.01 H new ATOM 0 HB3 ARG B 596 11.685 -10.785 -6.241 1.00 0.01 H new ATOM 0 HG2 ARG B 596 8.708 -11.209 -6.696 1.00 1.21 H new ATOM 0 HG3 ARG B 596 9.991 -11.996 -7.596 1.00 1.21 H new ATOM 0 HD2 ARG B 596 9.561 -13.623 -6.014 1.00 1.42 H new ATOM 0 HD3 ARG B 596 10.832 -12.737 -5.195 1.00 1.42 H new ATOM 0 HE ARG B 596 8.771 -11.436 -4.148 1.00 2.09 H new ATOM 0 HH11 ARG B 596 9.045 -14.879 -4.890 1.00 2.53 H new ATOM 0 HH12 ARG B 596 7.913 -15.360 -3.621 1.00 2.53 H new ATOM 0 HH21 ARG B 596 7.316 -12.065 -2.523 1.00 3.58 H new ATOM 0 HH22 ARG B 596 6.939 -13.776 -2.289 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.038 -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 13.343 -10.504 -0.457 1.00 0.00 O ATOM 1927 CB ARG B 597 14.800 -9.420 -3.089 1.00 0.01 C ATOM 1928 CG ARG B 597 15.900 -9.903 -2.156 1.00 1.27 C ATOM 1929 CD ARG B 597 16.215 -11.374 -2.374 1.00 1.71 C ATOM 1930 NE ARG B 597 16.652 -11.644 -3.740 1.00 2.17 N ATOM 1931 CZ ARG B 597 16.820 -12.868 -4.232 1.00 2.92 C ATOM 1932 NH1 ARG B 597 16.580 -13.931 -3.475 1.00 3.29 N ATOM 1933 NH2 ARG B 597 17.225 -13.029 -5.483 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.771 -4.359 1.00 0.00 H new ATOM 0 HA ARG B 597 13.471 -11.123 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG B 597 15.083 -9.648 -4.117 1.00 0.01 H new ATOM 0 HB3 ARG B 597 14.722 -8.335 -3.013 1.00 0.01 H new ATOM 0 HG2 ARG B 597 16.800 -9.310 -2.317 1.00 1.27 H new ATOM 0 HG3 ARG B 597 15.595 -9.745 -1.121 1.00 1.27 H new ATOM 0 HD2 ARG B 597 16.993 -11.685 -1.677 1.00 1.71 H new ATOM 0 HD3 ARG B 597 15.330 -11.971 -2.152 1.00 1.71 H new ATOM 0 HE ARG B 597 16.839 -10.849 -4.352 1.00 2.17 H new ATOM 0 HH11 ARG B 597 16.265 -13.811 -2.512 1.00 3.29 H new ATOM 0 HH12 ARG B 597 16.710 -14.868 -3.856 1.00 3.29 H new ATOM 0 HH21 ARG B 597 17.408 -12.214 -6.069 1.00 3.74 H new ATOM 0 HH22 ARG B 597 17.354 -13.968 -5.861 1.00 3.74 H new ATOM 1947 N HIS B 598 12.336 -8.627 -1.191 1.00 0.00 N ATOM 1948 CA HIS B 598 11.990 -8.130 0.135 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -9.000 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.763 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.509 -6.685 0.049 1.00 0.02 C ATOM 1952 CG HIS B 598 12.621 -5.730 -0.243 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.195 -4.927 0.720 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.292 -5.476 -1.390 1.00 1.62 C ATOM 1955 CE1 HIS B 598 14.171 -4.223 0.177 1.00 2.14 C ATOM 1956 NE2 HIS B 598 14.250 -4.538 -1.102 1.00 2.04 N ATOM 0 H HIS B 598 12.002 -8.040 -1.955 1.00 0.00 H new ATOM 0 HA HIS B 598 12.892 -8.170 0.746 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.750 -6.603 -0.729 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.033 -6.407 0.989 1.00 0.02 H new ATOM 0 HD1 HIS B 598 12.910 -4.884 1.698 1.00 1.71 H new ATOM 0 HD2 HIS B 598 13.107 -5.928 -2.353 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.798 -3.510 0.692 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.402 -10.869 0.596 1.00 0.00 C ATOM 1967 C PHE B 599 9.969 -12.220 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.718 1.00 0.00 O ATOM 1969 CB PHE B 599 8.325 -11.069 -0.472 1.00 0.06 C ATOM 1970 CG PHE B 599 7.219 -10.055 -0.435 1.00 1.01 C ATOM 1971 CD1 PHE B 599 7.497 -8.707 -0.598 1.00 1.94 C ATOM 1972 CD2 PHE B 599 5.907 -10.444 -0.224 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.487 -7.767 -0.556 1.00 2.87 C ATOM 1974 CE2 PHE B 599 4.893 -9.507 -0.179 1.00 2.28 C ATOM 1975 CZ PHE B 599 5.161 -8.190 -0.385 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 8.961 -10.392 1.471 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.795 -11.040 -1.455 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.894 -12.063 -0.354 1.00 0.06 H new ATOM 0 HD1 PHE B 599 8.516 -8.388 -0.760 1.00 1.94 H new ATOM 0 HD2 PHE B 599 5.674 -11.490 -0.093 1.00 1.40 H new ATOM 0 HE1 PHE B 599 6.716 -6.716 -0.654 1.00 2.87 H new ATOM 0 HE2 PHE B 599 3.880 -9.823 0.021 1.00 2.28 H new ATOM 0 HZ PHE B 599 4.355 -7.472 -0.417 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 -13.767 0.676 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 13.376 -14.626 2.345 1.00 0.00 O ATOM 1989 CB VAL B 600 12.396 -14.322 -0.654 1.00 0.01 C ATOM 1990 CG1 VAL B 600 13.543 -13.466 -1.166 1.00 1.42 C ATOM 1991 CG2 VAL B 600 12.835 -15.769 -0.486 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.820 -0.056 1.00 0.00 H new ATOM 0 HA VAL B 600 11.092 -14.459 1.057 1.00 0.00 H new ATOM 0 HB VAL B 600 11.597 -14.289 -1.395 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.914 -13.879 -2.104 1.00 1.42 H new ATOM 0 HG12 VAL B 600 13.191 -12.448 -1.332 1.00 1.42 H new ATOM 0 HG13 VAL B 600 14.347 -13.457 -0.430 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.222 -16.144 -1.433 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.615 -15.827 0.273 1.00 1.42 H new ATOM 0 HG23 VAL B 600 11.983 -16.374 -0.177 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.865 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.866 1.00 0.00 C ATOM 2003 C GLN B 601 13.993 -11.604 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.166 -10.691 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.686 -11.414 2.297 1.00 0.01 C ATOM 2006 CG GLN B 601 16.372 -12.040 1.094 1.00 1.31 C ATOM 2007 CD GLN B 601 17.035 -13.364 1.424 1.00 1.73 C ATOM 2008 OE1 GLN B 601 16.288 -14.452 1.280 1.00 2.34 O flip ATOM 2009 NE2 GLN B 601 18.205 -13.408 1.803 1.00 2.31 N flip ATOM 0 H GLN B 601 13.268 -11.621 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.932 -13.249 3.140 1.00 0.00 H new ATOM 0 HB2 GLN B 601 15.290 -10.439 2.012 1.00 0.01 H new ATOM 0 HB3 GLN B 601 16.427 -11.242 3.078 1.00 0.01 H new ATOM 0 HG2 GLN B 601 15.640 -12.192 0.301 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.121 -11.349 0.707 1.00 1.31 H new ATOM 0 HE21 GLN B 601 18.743 -12.547 1.900 1.00 2.31 H new ATOM 0 HE22 GLN B 601 18.637 -14.306 2.020 1.00 2.31 H new ATOM 2018 N VAL B 602 14.446 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.009 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.625 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.628 -12.296 7.756 1.00 0.01 C ATOM 2023 CG1 VAL B 602 16.146 -12.330 7.650 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.192 -11.677 9.075 1.00 1.36 C ATOM 0 H VAL B 602 15.119 -12.840 5.365 1.00 0.00 H new ATOM 0 HA VAL B 602 12.927 -11.644 6.642 1.00 0.00 H new ATOM 0 HB VAL B 602 14.266 -13.324 7.725 1.00 0.01 H new ATOM 0 HG11 VAL B 602 16.558 -12.873 8.500 1.00 1.37 H new ATOM 0 HG12 VAL B 602 16.435 -12.830 6.726 1.00 1.37 H new ATOM 0 HG13 VAL B 602 16.534 -11.311 7.648 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.639 -12.229 9.902 1.00 1.36 H new ATOM 0 HG22 VAL B 602 14.518 -10.638 9.115 1.00 1.36 H new ATOM 0 HG23 VAL B 602 13.106 -11.720 9.156 1.00 1.36 H new ATOM 2034 N GLN B 603 13.399 -9.209 6.830 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.859 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 -8.052 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.404 -7.037 6.268 1.00 0.02 C ATOM 2039 CG GLN B 603 11.988 -7.572 4.908 1.00 1.20 C ATOM 2040 CD GLN B 603 13.025 -7.307 3.834 1.00 1.93 C ATOM 2041 OE1 GLN B 603 12.945 -6.317 3.109 1.00 2.58 O ATOM 2042 NE2 GLN B 603 14.014 -8.187 3.733 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.489 6.979 1.00 0.00 H new ATOM 0 HA GLN B 603 14.493 -7.524 6.258 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.564 -7.125 6.958 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.633 -5.975 6.178 1.00 0.02 H new ATOM 0 HG2 GLN B 603 11.813 -8.645 4.982 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.043 -7.115 4.616 1.00 1.20 H new ATOM 0 HE21 GLN B 603 14.043 -8.995 4.355 1.00 2.68 H new ATOM 0 HE22 GLN B 603 14.745 -8.055 3.034 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 -5.602 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.454 -5.354 10.692 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.523 -4.317 9.756 1.00 0.01 C ATOM 2056 CG1 VAL B 604 16.901 -4.610 9.182 1.00 1.27 C ATOM 2057 CG2 VAL B 604 14.820 -3.244 8.942 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.719 1.00 0.00 H new ATOM 0 HA VAL B 604 15.256 -6.410 10.253 1.00 0.00 H new ATOM 0 HB VAL B 604 15.647 -3.946 10.773 1.00 0.01 H new ATOM 0 HG11 VAL B 604 17.486 -3.691 9.152 1.00 1.27 H new ATOM 0 HG12 VAL B 604 17.408 -5.343 9.810 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.798 -5.007 8.172 1.00 1.27 H new ATOM 0 HG21 VAL B 604 15.435 -2.345 8.917 1.00 1.27 H new ATOM 0 HG22 VAL B 604 14.662 -3.604 7.925 1.00 1.27 H new ATOM 0 HG23 VAL B 604 13.858 -3.013 9.399 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -5.933 11.884 1.00 0.00 N ATOM 2068 CA GLY B 605 12.337 -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 -6.461 12.252 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.686 -5.815 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.586 1.00 0.00 H new ATOM 2074 N GLU B 606 11.789 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.198 11.668 1.00 0.00 C ATOM 2076 C GLU B 606 11.815 -10.448 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 10.247 -9.204 10.318 1.00 0.02 C ATOM 2079 CG GLU B 606 9.354 -7.993 10.102 1.00 1.16 C ATOM 2080 CD GLU B 606 8.639 -8.026 8.766 1.00 1.64 C ATOM 2081 OE1 GLU B 606 9.214 -7.532 7.772 1.00 1.84 O ATOM 2082 OE2 GLU B 606 7.506 -8.547 8.712 1.00 2.51 O ATOM 0 H GLU B 606 12.641 -7.992 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.226 -9.191 12.467 1.00 0.00 H new ATOM 0 HB2 GLU B 606 10.988 -9.246 9.520 1.00 0.02 H new ATOM 0 HB3 GLU B 606 9.644 -10.109 10.241 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.617 -7.943 10.903 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.956 -7.087 10.165 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 11.264 -13.439 13.734 1.00 0.01 C ATOM 2094 CG1 VAL B 607 11.463 -12.509 14.922 1.00 1.40 C ATOM 2095 CG2 VAL B 607 9.794 -13.797 13.569 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 -12.560 12.573 1.00 0.00 H new ATOM 0 HB VAL B 607 11.819 -14.358 13.924 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.068 -12.979 15.822 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.526 -12.309 15.053 1.00 1.40 H new ATOM 0 HG13 VAL B 607 10.937 -11.571 14.742 1.00 1.40 H new ATOM 0 HG21 VAL B 607 9.424 -14.249 14.489 1.00 1.40 H new ATOM 0 HG22 VAL B 607 9.222 -12.895 13.352 1.00 1.40 H new ATOM 0 HG23 VAL B 607 9.682 -14.504 12.747 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.376 -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 -15.485 9.857 1.00 0.01 C ATOM 2110 CG MET B 608 8.842 -16.577 8.866 1.00 1.32 C ATOM 2111 SD MET B 608 7.513 -17.641 9.462 1.00 2.02 S ATOM 2112 CE MET B 608 6.166 -16.466 9.589 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.276 -15.191 9.253 1.00 0.00 H new ATOM 0 HB2 MET B 608 9.463 -15.946 10.811 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.334 -14.858 10.029 1.00 0.01 H new ATOM 0 HG2 MET B 608 8.541 -16.120 7.923 1.00 1.32 H new ATOM 0 HG3 MET B 608 9.723 -17.185 8.659 1.00 1.32 H new ATOM 0 HE1 MET B 608 5.246 -16.927 9.229 1.00 2.68 H new ATOM 0 HE2 MET B 608 6.040 -16.169 10.630 1.00 2.68 H new ATOM 0 HE3 MET B 608 6.392 -15.587 8.985 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.983 1.00 0.00 N ATOM 2123 CA PRO B 609 10.222 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 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 -15.090 4.709 1.00 0.01 C ATOM 2127 CG PRO B 609 11.780 -15.802 5.487 1.00 0.43 C ATOM 2128 CD PRO B 609 11.338 -15.756 6.924 1.00 0.02 C ATOM 0 HA PRO B 609 10.699 -13.028 5.492 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.922 -15.766 4.421 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.132 -14.666 3.790 1.00 0.01 H new ATOM 0 HG2 PRO B 609 11.888 -16.831 5.145 1.00 0.43 H new ATOM 0 HG3 PRO B 609 12.750 -15.321 5.362 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.773 -16.646 7.200 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.187 -15.694 7.604 1.00 0.02 H new ATOM 2136 N PHE B 610 8.361 -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 4.971 -13.345 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.863 -10.740 4.230 1.00 0.01 C ATOM 2141 CG PHE B 610 5.486 -10.147 4.326 1.00 0.79 C ATOM 2142 CD1 PHE B 610 5.003 -9.677 5.538 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.677 -10.058 3.207 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.737 -9.131 5.629 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.410 -9.514 3.291 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.940 -9.049 4.504 1.00 2.25 C ATOM 0 H PHE B 610 9.028 -11.843 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.523 -12.153 5.817 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.568 -10.089 4.747 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.166 -10.770 3.183 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.623 -9.738 6.420 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.041 -10.418 2.256 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.371 -8.769 6.578 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.788 -9.452 2.410 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.950 -8.622 4.573 1.00 2.25 H new ATOM 2156 N ILE B 611 6.822 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.936 1.00 0.00 C ATOM 2159 O ILE B 611 4.300 -16.152 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.208 -15.426 1.174 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.526 -16.492 0.313 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.338 -16.034 1.991 1.00 1.20 C ATOM 2163 CD1 ILE B 611 7.424 -17.067 -0.764 1.00 1.84 C ATOM 0 H ILE B 611 7.804 -13.576 2.749 1.00 0.00 H new ATOM 0 HA ILE B 611 5.459 -14.205 1.476 1.00 0.00 H new ATOM 0 HB ILE B 611 7.635 -14.674 0.510 1.00 0.02 H new ATOM 0 HG12 ILE B 611 6.181 -17.301 0.957 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.643 -16.058 -0.155 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.052 -16.516 1.323 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.842 -15.249 2.555 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.931 -16.773 2.681 1.00 1.20 H new ATOM 0 HD11 ILE B 611 6.874 -17.816 -1.335 1.00 1.84 H new ATOM 0 HD12 ILE B 611 7.749 -16.269 -1.431 1.00 1.84 H new ATOM 0 HD13 ILE B 611 8.295 -17.531 -0.302 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 5.439 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.394 1.00 0.00 O ATOM 2179 CB ASP B 612 6.520 -17.431 6.098 1.00 0.01 C ATOM 2180 CG ASP B 612 7.824 -18.082 5.684 1.00 1.14 C ATOM 2181 OD1 ASP B 612 7.840 -19.318 5.507 1.00 1.26 O ATOM 2182 OD2 ASP B 612 8.830 -17.358 5.540 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.985 4.206 1.00 0.00 H new ATOM 0 HA ASP B 612 5.448 -18.169 4.370 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.730 -16.465 6.557 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.035 -18.046 6.856 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.948 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 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 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.914 -13.740 7.028 1.00 0.01 C ATOM 2192 CG GLU B 613 3.850 -13.649 8.222 1.00 1.17 C ATOM 2193 CD GLU B 613 4.019 -12.228 8.723 1.00 1.82 C ATOM 2194 OE1 GLU B 613 3.198 -11.790 9.556 1.00 2.11 O ATOM 2195 OE2 GLU B 613 4.973 -11.551 8.284 1.00 2.66 O ATOM 0 H GLU B 613 4.827 -14.946 6.019 1.00 0.00 H new ATOM 0 HA GLU B 613 2.464 -15.823 7.258 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.273 -13.074 6.244 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.927 -13.383 7.323 1.00 0.01 H new ATOM 0 HG2 GLU B 613 3.465 -14.272 9.029 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.825 -14.052 7.946 1.00 1.17 H new ATOM 2202 N ILE B 614 2.169 -14.838 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.856 3.011 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.286 2.700 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 1.919 -14.270 1.747 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.257 -12.788 1.953 1.00 1.10 C ATOM 2208 CG2 ILE B 614 1.020 -14.451 0.530 1.00 1.11 C ATOM 2209 CD1 ILE B 614 1.044 -11.909 2.186 1.00 1.76 C ATOM 0 H ILE B 614 3.124 -14.554 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.401 -14.238 3.293 1.00 0.00 H new ATOM 0 HB ILE B 614 2.847 -14.812 1.568 1.00 0.05 H new ATOM 0 HG12 ILE B 614 2.931 -12.694 2.805 1.00 1.10 H new ATOM 0 HG13 ILE B 614 2.796 -12.423 1.078 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.509 -14.031 -0.349 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.834 -15.513 0.369 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.073 -13.939 0.698 1.00 1.11 H new ATOM 0 HD11 ILE B 614 1.364 -10.876 2.323 1.00 1.76 H new ATOM 0 HD12 ILE B 614 0.379 -11.972 1.325 1.00 1.76 H new ATOM 0 HD13 ILE B 614 0.516 -12.247 3.078 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.239 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.307 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.326 1.00 0.00 C ATOM 2224 O LEU B 615 -0.354 -20.159 2.976 1.00 0.00 O ATOM 2225 CB LEU B 615 2.653 -19.436 2.189 1.00 0.01 C ATOM 2226 CG LEU B 615 2.479 -20.932 1.917 1.00 1.09 C ATOM 2227 CD1 LEU B 615 1.838 -21.161 0.557 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.821 -21.645 2.000 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.070 2.806 1.00 0.00 H new ATOM 0 HA LEU B 615 0.821 -18.623 1.357 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.255 -19.007 1.388 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.219 -19.316 3.112 1.00 0.01 H new ATOM 0 HG LEU B 615 1.818 -21.345 2.679 1.00 1.09 H new ATOM 0 HD11 LEU B 615 1.724 -22.231 0.384 1.00 1.70 H new ATOM 0 HD12 LEU B 615 0.859 -20.683 0.531 1.00 1.70 H new ATOM 0 HD13 LEU B 615 2.471 -20.734 -0.220 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.681 -22.708 1.804 1.00 1.84 H new ATOM 0 HD22 LEU B 615 4.502 -21.226 1.259 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.243 -21.512 2.996 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.866 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 5.706 1.00 0.00 C ATOM 2243 O ASN B 616 -2.499 -19.270 6.570 1.00 0.00 O ATOM 2244 CB ASN B 616 0.415 -19.208 6.992 1.00 0.02 C ATOM 2245 CG ASN B 616 -0.258 -19.955 8.128 1.00 1.19 C ATOM 2246 OD1 ASN B 616 -0.830 -21.027 7.931 1.00 2.06 O ATOM 2247 ND2 ASN B 616 -0.192 -19.388 9.328 1.00 1.95 N ATOM 0 H ASN B 616 1.189 -18.137 4.886 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.376 -20.495 5.419 1.00 0.00 H new ATOM 0 HB2 ASN B 616 1.455 -19.526 6.919 1.00 0.02 H new ATOM 0 HB3 ASN B 616 0.423 -18.142 7.218 1.00 0.02 H new ATOM 0 HD21 ASN B 616 -0.626 -19.843 10.131 1.00 1.95 H new ATOM 0 HD22 ASN B 616 0.293 -18.498 9.446 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 -3.312 -17.302 4.762 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 -4.773 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.194 -15.954 5.483 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.278 -14.974 4.777 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -2.108 -15.029 3.562 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -1.688 -14.061 5.539 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.760 3.993 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.016 -17.936 5.300 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -4.186 -15.511 5.576 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -2.824 -16.122 6.495 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.066 -13.370 5.119 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -1.856 -14.050 6.545 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 -5.922 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.316 -18.756 0.090 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.888 -18.579 -1.319 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.673 -20.126 0.651 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.350 -19.578 -2.322 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 -3.421 -16.687 0.675 1.00 0.00 H new ATOM 0 HB ILE B 618 -2.230 -18.687 0.027 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -4.973 -18.669 -1.275 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -3.666 -17.571 -1.668 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.308 -20.901 -0.022 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -3.212 -20.249 1.631 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -4.756 -20.209 0.747 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.799 -19.392 -3.298 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -2.268 -19.473 -2.395 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -3.595 -20.589 -1.996 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.422 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.400 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.784 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.889 -19.883 2.336 1.00 0.01 C ATOM 2292 CG ASN B 619 -9.352 -20.197 2.074 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -10.165 -19.298 1.855 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -9.694 -21.480 2.094 1.00 2.18 N ATOM 0 H ASN B 619 -5.520 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.700 -18.640 0.564 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.277 -20.725 2.013 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.732 -19.768 3.408 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -10.662 -21.752 1.924 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -8.989 -22.193 2.279 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 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 -8.212 -14.640 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.097 -13.802 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.754 -15.585 5.445 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.361 -15.280 5.315 1.00 1.27 O ATOM 2307 CG2 THR B 620 -7.932 -16.777 6.373 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.491 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.108 4.182 1.00 0.00 H new ATOM 0 HB THR B 620 -8.275 -14.730 5.875 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.033 -15.610 4.452 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.496 -16.549 7.346 1.00 1.32 H new ATOM 0 HG22 THR B 620 -8.994 -16.989 6.493 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.434 -17.648 5.947 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.546 2.431 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.377 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 -5.384 -13.204 1.265 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.589 -13.048 2.567 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -5.166 -12.006 0.345 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.146 -12.636 2.363 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.252 2.395 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.270 -12.546 2.166 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.026 -14.095 0.749 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -5.082 -12.306 3.195 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -4.613 -13.993 3.110 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -4.102 -11.898 0.135 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.706 -12.161 -0.589 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -5.534 -11.102 0.831 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.653 -12.547 3.331 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -2.634 -13.388 1.763 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -3.111 -11.676 1.849 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.515 -0.434 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.391 -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 -2.677 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.730 -15.562 -2.668 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -6.204 -15.450 -2.582 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -8.196 -15.355 -4.099 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -5.469 -16.467 -3.428 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.406 -0.137 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.284 -13.516 -2.117 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.027 -16.562 -2.351 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -5.904 -14.449 -2.892 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -5.898 -15.567 -1.542 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -7.720 -16.091 -4.747 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -9.278 -15.473 -4.150 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -7.924 -14.352 -4.429 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -4.394 -16.325 -3.315 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -5.738 -17.472 -3.104 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -5.744 -16.337 -4.475 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.385 -15.122 -0.472 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.811 -15.425 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.927 -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 1.171 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.927 -15.144 1.614 1.00 1.47 S ATOM 0 H CYS B 623 -9.799 -15.180 0.361 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.874 -16.512 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.561 -15.348 1.925 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -11.981 -13.810 1.198 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.154 -14.650 2.795 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.403 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.055 1.00 0.00 C ATOM 2366 C ASP B 624 -13.490 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.248 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.110 -11.569 -1.311 1.00 0.01 C ATOM 2369 CG ASP B 624 -15.261 -10.788 -1.914 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -16.428 -11.142 -1.640 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -14.997 -9.823 -2.662 1.00 2.07 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.095 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.736 -13.493 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -14.332 -11.788 -0.266 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -13.211 -10.953 -1.324 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.883 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.555 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.403 -13.419 -6.308 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.584 -6.069 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.233 -12.713 -5.269 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.424 -11.641 -4.529 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.656 -10.271 -5.146 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -9.776 -11.625 -3.049 1.00 1.67 C ATOM 0 H LEU B 625 -11.579 -13.402 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.025 -11.514 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.971 -13.688 -4.857 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.926 -12.716 -6.315 1.00 0.06 H new ATOM 0 HG LEU B 625 -8.367 -11.887 -4.627 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.073 -9.525 -4.606 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -9.347 -10.286 -6.191 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -10.715 -10.018 -5.084 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -9.190 -10.857 -2.544 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -10.838 -11.409 -2.930 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -9.553 -12.598 -2.611 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.840 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.584 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.974 -14.416 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.805 -14.132 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.655 -12.620 -9.702 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.753 -11.707 -9.179 1.00 0.94 C ATOM 2401 CD GLN B 626 -15.311 -10.792 -10.252 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -14.813 -9.686 -10.459 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -16.352 -11.250 -10.937 1.00 2.33 N ATOM 0 H GLN B 626 -12.426 -11.853 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.918 -14.241 -8.336 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.837 -12.009 -10.085 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -14.042 -13.196 -10.542 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.560 -12.314 -8.768 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -14.360 -11.104 -8.361 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -16.732 -12.174 -10.731 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -16.772 -10.678 -11.670 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 -10.610 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 -11.067 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.039 -17.104 -11.679 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.399 -16.487 -11.770 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.653 -15.817 -10.453 1.00 0.01 C ATOM 0 HA PRO B 627 -10.822 -16.901 -9.818 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.526 -17.058 -12.639 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -12.107 -18.157 -11.404 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -13.444 -15.766 -12.587 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -14.156 -17.245 -11.972 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.311 -14.955 -10.556 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.122 -16.492 -9.737 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 -9.274 -13.891 -12.733 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 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.848 -12.854 -13.701 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.769 -13.446 -14.756 1.00 1.30 C ATOM 2432 CD GLN B 628 -10.063 -14.440 -15.655 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -10.041 -15.639 -15.377 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -9.479 -13.946 -16.740 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.140 -12.127 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.731 -14.637 -13.313 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.397 -12.104 -13.132 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.025 -12.339 -14.197 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -11.608 -13.938 -14.265 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -11.183 -12.642 -15.364 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -9.522 -12.945 -16.932 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -8.987 -14.567 -17.382 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.739 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.097 -11.896 -9.708 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 -6.117 -12.627 -8.557 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.013 -11.120 -8.758 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.557 -9.826 -9.345 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.395 -10.049 -10.589 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -11.607 -10.245 -10.508 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -9.752 -10.016 -11.750 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.479 -10.615 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.420 -11.197 -10.199 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.850 -11.758 -8.474 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.463 -10.890 -7.846 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -10.160 -9.317 -8.593 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -8.725 -9.165 -9.587 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -8.746 -9.850 -11.771 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -10.264 -10.156 -12.621 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.067 -8.664 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 -15.525 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -5.977 -16.377 -9.671 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.983 -16.392 -7.789 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.253 -17.438 -6.959 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.321 -16.037 -7.159 1.00 1.30 C ATOM 2467 OXT VAL B 630 -4.780 -14.973 -8.474 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.304 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.827 -14.741 -6.998 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.177 -16.817 -8.774 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.887 -18.317 -6.841 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.329 -17.722 -7.463 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -7.019 -17.025 -5.978 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.918 -16.941 -7.038 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -9.154 -15.580 -6.184 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.852 -15.335 -7.803 1.00 1.30 H new