USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 570 HIS : no HE2:sc= -2.71 X(o=-6.4,f=-5.9!) USER MOD Set 1.2: A 574 GLN : amide:sc= -3.67! K(o=-6.4!,f=-3.8) USER MOD Set 2.1: A 554 CYS SG : rot 76:sc= -3.51! USER MOD Set 2.2: A 555 CYS SG : rot 24:sc= -2.71! USER MOD Set 3.1: A 520 THR OG1 : rot 144:sc= 0.396 USER MOD Set 3.2: A 565 GLN : amide:sc= 0 K(o=0.4,f=-0.33) USER MOD Single : A 504 THR OG1 : rot 24:sc= 0.0764 USER MOD Single : A 505 GLN : amide:sc= 0.108 X(o=0.11,f=-0.19) USER MOD Single : A 506 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 508 THR OG1 : rot 74:sc= 0.106 USER MOD Single : A 511 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.037) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 TYR OH : rot 180:sc= 0 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.8!) USER MOD Single : A 535 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-4.5!) USER MOD Single : A 536 MET CE :methyl -125:sc= -0.161 (180deg=-0.263) USER MOD Single : A 537 MET CE :methyl 158:sc= -1.07 (180deg=-2.26!) USER MOD Single : A 539 LYS NZ :NH3+ -140:sc= 0.0507 (180deg=0) USER MOD Single : A 546 LYS NZ :NH3+ -163:sc= -0.313 (180deg=-0.741) USER MOD Single : A 549 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 556 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 569 MET CE :methyl 131:sc= -0.0531 (180deg=-2.66!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 579 MET CE :methyl 156:sc= -0.861 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.421 -7.691 7.835 1.00 0.00 N ATOM 446 CA THR A 504 -8.143 -8.170 6.663 1.00 0.00 C ATOM 447 C THR A 504 -8.110 -7.141 5.538 1.00 0.00 C ATOM 448 O THR A 504 -7.528 -7.383 4.481 1.00 0.00 O ATOM 449 CB THR A 504 -9.609 -8.498 7.001 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.664 -9.468 8.053 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.341 -9.029 5.777 1.00 0.00 C ATOM 0 HA THR A 504 -7.642 -9.080 6.334 1.00 0.00 H new ATOM 0 HB THR A 504 -10.097 -7.580 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 504 -8.838 -9.427 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.375 -9.254 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.323 -8.278 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.851 -9.937 5.425 1.00 0.00 H new ATOM 459 N GLN A 505 -8.738 -5.994 5.774 1.00 0.00 N ATOM 460 CA GLN A 505 -8.781 -4.929 4.779 1.00 0.00 C ATOM 461 C GLN A 505 -7.377 -4.582 4.293 1.00 0.00 C ATOM 462 O GLN A 505 -7.041 -4.807 3.130 1.00 0.00 O ATOM 463 CB GLN A 505 -9.453 -3.684 5.363 1.00 0.00 C ATOM 464 CG GLN A 505 -10.969 -3.706 5.258 1.00 0.00 C ATOM 465 CD GLN A 505 -11.611 -2.451 5.816 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.226 -1.963 6.879 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.595 -1.921 5.100 1.00 0.00 N ATOM 0 H GLN A 505 -9.224 -5.778 6.645 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.364 -5.283 3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.171 -3.587 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.074 -2.801 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.255 -3.822 4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.354 -4.575 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -12.882 -2.359 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.064 -1.076 5.425 1.00 0.00 H new ATOM 476 N GLN A 506 -6.564 -4.035 5.190 1.00 0.00 N ATOM 477 CA GLN A 506 -5.197 -3.657 4.850 1.00 0.00 C ATOM 478 C GLN A 506 -4.556 -4.695 3.935 1.00 0.00 C ATOM 479 O GLN A 506 -3.998 -4.357 2.890 1.00 0.00 O ATOM 480 CB GLN A 506 -4.360 -3.493 6.120 1.00 0.00 C ATOM 481 CG GLN A 506 -4.895 -2.432 7.068 1.00 0.00 C ATOM 482 CD GLN A 506 -3.862 -1.981 8.082 1.00 0.00 C ATOM 483 OE1 GLN A 506 -2.990 -2.753 8.483 1.00 0.00 O ATOM 484 NE2 GLN A 506 -3.953 -0.725 8.503 1.00 0.00 N ATOM 0 H GLN A 506 -6.827 -3.844 6.157 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.232 -2.705 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.318 -4.448 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.338 -3.237 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -5.232 -1.571 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.766 -2.825 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -4.691 -0.119 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.285 -0.366 9.185 1.00 0.00 H new ATOM 493 N LEU A 507 -4.640 -5.959 4.334 1.00 0.00 N ATOM 494 CA LEU A 507 -4.067 -7.048 3.550 1.00 0.00 C ATOM 495 C LEU A 507 -4.563 -7.000 2.108 1.00 0.00 C ATOM 496 O LEU A 507 -3.774 -7.071 1.165 1.00 0.00 O ATOM 497 CB LEU A 507 -4.422 -8.397 4.179 1.00 0.00 C ATOM 498 CG LEU A 507 -3.581 -8.818 5.384 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.307 -9.877 6.198 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.220 -9.329 4.933 1.00 0.00 C ATOM 0 H LEU A 507 -5.099 -6.255 5.195 1.00 0.00 H new ATOM 0 HA LEU A 507 -2.983 -6.930 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.468 -8.369 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.333 -9.167 3.413 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.427 -7.945 6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.693 -10.164 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.256 -9.476 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.493 -10.751 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.635 -9.624 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.353 -10.189 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.695 -8.540 4.394 1.00 0.00 H new ATOM 512 N THR A 508 -5.877 -6.877 1.943 1.00 0.00 N ATOM 513 CA THR A 508 -6.479 -6.818 0.617 1.00 0.00 C ATOM 514 C THR A 508 -5.827 -5.735 -0.235 1.00 0.00 C ATOM 515 O THR A 508 -5.450 -5.977 -1.381 1.00 0.00 O ATOM 516 CB THR A 508 -7.993 -6.549 0.699 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.626 -7.552 1.501 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.616 -6.535 -0.689 1.00 0.00 C ATOM 0 H THR A 508 -6.544 -6.816 2.712 1.00 0.00 H new ATOM 0 HA THR A 508 -6.315 -7.790 0.152 1.00 0.00 H new ATOM 0 HB THR A 508 -8.142 -5.571 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 508 -8.410 -7.401 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.686 -6.343 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.152 -5.751 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.457 -7.501 -1.169 1.00 0.00 H new ATOM 526 N ALA A 509 -5.696 -4.541 0.333 1.00 0.00 N ATOM 527 CA ALA A 509 -5.087 -3.421 -0.374 1.00 0.00 C ATOM 528 C ALA A 509 -3.622 -3.704 -0.691 1.00 0.00 C ATOM 529 O ALA A 509 -3.173 -3.510 -1.821 1.00 0.00 O ATOM 530 CB ALA A 509 -5.215 -2.146 0.447 1.00 0.00 C ATOM 0 H ALA A 509 -6.004 -4.324 1.281 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.617 -3.287 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.756 -1.318 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.269 -1.928 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.712 -2.278 1.405 1.00 0.00 H new ATOM 536 N PHE A 510 -2.882 -4.162 0.313 1.00 0.00 N ATOM 537 CA PHE A 510 -1.467 -4.470 0.141 1.00 0.00 C ATOM 538 C PHE A 510 -1.242 -5.317 -1.108 1.00 0.00 C ATOM 539 O PHE A 510 -0.339 -5.047 -1.899 1.00 0.00 O ATOM 540 CB PHE A 510 -0.929 -5.203 1.372 1.00 0.00 C ATOM 541 CG PHE A 510 0.486 -5.680 1.215 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.550 -4.836 1.492 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.753 -6.971 0.790 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.854 -5.272 1.347 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.055 -7.413 0.644 1.00 0.00 C ATOM 546 CZ PHE A 510 3.106 -6.563 0.924 1.00 0.00 C ATOM 0 H PHE A 510 -3.238 -4.328 1.254 1.00 0.00 H new ATOM 0 HA PHE A 510 -0.928 -3.530 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -0.986 -4.539 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.571 -6.058 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 510 1.358 -3.827 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 510 -0.066 -7.640 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.675 -4.604 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.249 -8.422 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.124 -6.907 0.813 1.00 0.00 H new ATOM 556 N GLN A 511 -2.071 -6.342 -1.277 1.00 0.00 N ATOM 557 CA GLN A 511 -1.962 -7.230 -2.429 1.00 0.00 C ATOM 558 C GLN A 511 -2.259 -6.480 -3.724 1.00 0.00 C ATOM 559 O GLN A 511 -1.512 -6.584 -4.698 1.00 0.00 O ATOM 560 CB GLN A 511 -2.920 -8.413 -2.280 1.00 0.00 C ATOM 561 CG GLN A 511 -2.584 -9.324 -1.110 1.00 0.00 C ATOM 562 CD GLN A 511 -3.764 -10.167 -0.669 1.00 0.00 C ATOM 563 OE1 GLN A 511 -3.930 -11.304 -1.113 1.00 0.00 O ATOM 564 NE2 GLN A 511 -4.592 -9.613 0.209 1.00 0.00 N ATOM 0 H GLN A 511 -2.825 -6.578 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 511 -0.939 -7.603 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.935 -8.035 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -2.908 -8.997 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -1.759 -9.979 -1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.240 -8.719 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -4.416 -8.668 0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 511 -5.404 -10.132 0.542 1.00 0.00 H new ATOM 573 N LEU A 512 -3.352 -5.726 -3.728 1.00 0.00 N ATOM 574 CA LEU A 512 -3.748 -4.958 -4.903 1.00 0.00 C ATOM 575 C LEU A 512 -2.614 -4.050 -5.368 1.00 0.00 C ATOM 576 O LEU A 512 -2.285 -4.007 -6.554 1.00 0.00 O ATOM 577 CB LEU A 512 -4.992 -4.123 -4.596 1.00 0.00 C ATOM 578 CG LEU A 512 -6.320 -4.882 -4.570 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.400 -4.044 -3.903 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.739 -5.272 -5.979 1.00 0.00 C ATOM 0 H LEU A 512 -3.980 -5.630 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 512 -3.978 -5.660 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.852 -3.642 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.065 -3.329 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.185 -5.794 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.338 -4.600 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.103 -3.816 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.534 -3.115 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.686 -5.811 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -6.857 -4.374 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -5.975 -5.911 -6.422 1.00 0.00 H new ATOM 592 N LEU A 513 -2.018 -3.328 -4.426 1.00 0.00 N ATOM 593 CA LEU A 513 -0.918 -2.421 -4.738 1.00 0.00 C ATOM 594 C LEU A 513 0.278 -3.188 -5.293 1.00 0.00 C ATOM 595 O LEU A 513 0.746 -2.913 -6.398 1.00 0.00 O ATOM 596 CB LEU A 513 -0.504 -1.642 -3.488 1.00 0.00 C ATOM 597 CG LEU A 513 -1.484 -0.569 -3.011 1.00 0.00 C ATOM 598 CD1 LEU A 513 -1.098 -0.073 -1.626 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.533 0.586 -3.999 1.00 0.00 C ATOM 0 H LEU A 513 -2.277 -3.353 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.261 -1.720 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.350 -2.352 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.458 -1.167 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.478 -1.012 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.806 0.690 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -1.116 -0.906 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -0.095 0.353 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.235 1.340 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.541 1.029 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.858 0.219 -4.972 1.00 0.00 H new ATOM 611 N PHE A 514 0.768 -4.151 -4.519 1.00 0.00 N ATOM 612 CA PHE A 514 1.909 -4.958 -4.934 1.00 0.00 C ATOM 613 C PHE A 514 1.829 -5.291 -6.421 1.00 0.00 C ATOM 614 O PHE A 514 2.729 -4.960 -7.191 1.00 0.00 O ATOM 615 CB PHE A 514 1.973 -6.248 -4.114 1.00 0.00 C ATOM 616 CG PHE A 514 3.352 -6.838 -4.030 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.274 -6.350 -3.117 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.726 -7.880 -4.862 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.544 -6.890 -3.039 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.995 -8.424 -4.788 1.00 0.00 C ATOM 621 CZ PHE A 514 5.904 -7.929 -3.874 1.00 0.00 C ATOM 0 H PHE A 514 0.393 -4.391 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 514 2.815 -4.378 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.611 -6.046 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.299 -6.983 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 514 3.997 -5.539 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 514 3.018 -8.272 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.254 -6.499 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 514 5.275 -9.235 -5.444 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.895 -8.354 -3.812 1.00 0.00 H new ATOM 631 N ALA A 515 0.744 -5.949 -6.816 1.00 0.00 N ATOM 632 CA ALA A 515 0.544 -6.325 -8.210 1.00 0.00 C ATOM 633 C ALA A 515 0.670 -5.115 -9.129 1.00 0.00 C ATOM 634 O ALA A 515 1.422 -5.140 -10.104 1.00 0.00 O ATOM 635 CB ALA A 515 -0.815 -6.986 -8.388 1.00 0.00 C ATOM 0 H ALA A 515 -0.010 -6.233 -6.190 1.00 0.00 H new ATOM 0 HA ALA A 515 1.322 -7.038 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -0.951 -7.262 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -0.869 -7.880 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.600 -6.290 -8.091 1.00 0.00 H new ATOM 641 N TRP A 516 -0.069 -4.058 -8.813 1.00 0.00 N ATOM 642 CA TRP A 516 -0.040 -2.838 -9.612 1.00 0.00 C ATOM 643 C TRP A 516 1.389 -2.334 -9.782 1.00 0.00 C ATOM 644 O TRP A 516 1.783 -1.914 -10.870 1.00 0.00 O ATOM 645 CB TRP A 516 -0.902 -1.756 -8.960 1.00 0.00 C ATOM 646 CG TRP A 516 -0.675 -0.390 -9.533 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.203 0.111 -10.689 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.140 0.648 -8.978 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.764 1.399 -10.886 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.060 1.751 -9.850 1.00 0.00 C ATOM 651 CE3 TRP A 516 0.928 0.753 -7.829 1.00 0.00 C ATOM 652 CZ2 TRP A 516 0.739 2.942 -9.607 1.00 0.00 C ATOM 653 CZ3 TRP A 516 1.602 1.936 -7.590 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.503 3.018 -8.475 1.00 0.00 C ATOM 0 H TRP A 516 -0.696 -4.021 -8.009 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.444 -3.068 -10.598 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -1.953 -2.020 -9.075 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.695 -1.732 -7.890 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -1.867 -0.425 -11.350 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -1.012 1.996 -11.675 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.009 -0.075 -7.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.665 3.777 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.215 2.028 -6.706 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.040 3.930 -8.259 1.00 0.00 H new ATOM 665 N ARG A 517 2.160 -2.377 -8.701 1.00 0.00 N ATOM 666 CA ARG A 517 3.545 -1.923 -8.731 1.00 0.00 C ATOM 667 C ARG A 517 4.337 -2.664 -9.805 1.00 0.00 C ATOM 668 O ARG A 517 4.973 -2.045 -10.659 1.00 0.00 O ATOM 669 CB ARG A 517 4.202 -2.129 -7.365 1.00 0.00 C ATOM 670 CG ARG A 517 5.712 -1.958 -7.383 1.00 0.00 C ATOM 671 CD ARG A 517 6.231 -1.442 -6.050 1.00 0.00 C ATOM 672 NE ARG A 517 7.586 -1.911 -5.772 1.00 0.00 N ATOM 673 CZ ARG A 517 7.876 -3.162 -5.433 1.00 0.00 C ATOM 674 NH1 ARG A 517 6.911 -4.066 -5.332 1.00 0.00 N ATOM 675 NH2 ARG A 517 9.134 -3.511 -5.196 1.00 0.00 N ATOM 0 H ARG A 517 1.849 -2.722 -7.793 1.00 0.00 H new ATOM 0 HA ARG A 517 3.547 -0.860 -8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.773 -1.422 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 517 3.962 -3.129 -7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.184 -2.913 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.991 -1.265 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.218 -0.352 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.564 -1.766 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 517 8.352 -1.241 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 517 5.943 -3.801 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 517 7.137 -5.026 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 517 9.879 -2.818 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 517 9.356 -4.472 -4.936 1.00 0.00 H new ATOM 689 N ASP A 518 4.293 -3.990 -9.756 1.00 0.00 N ATOM 690 CA ASP A 518 5.005 -4.816 -10.724 1.00 0.00 C ATOM 691 C ASP A 518 4.531 -4.519 -12.143 1.00 0.00 C ATOM 692 O ASP A 518 5.331 -4.457 -13.077 1.00 0.00 O ATOM 693 CB ASP A 518 4.807 -6.299 -10.406 1.00 0.00 C ATOM 694 CG ASP A 518 5.239 -7.198 -11.548 1.00 0.00 C ATOM 695 OD1 ASP A 518 6.046 -6.746 -12.387 1.00 0.00 O ATOM 696 OD2 ASP A 518 4.770 -8.354 -11.601 1.00 0.00 O ATOM 0 H ASP A 518 3.771 -4.517 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 518 6.067 -4.578 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 518 5.375 -6.555 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.756 -6.482 -10.180 1.00 0.00 H new ATOM 701 N LYS A 519 3.224 -4.338 -12.299 1.00 0.00 N ATOM 702 CA LYS A 519 2.641 -4.048 -13.604 1.00 0.00 C ATOM 703 C LYS A 519 3.192 -2.742 -14.167 1.00 0.00 C ATOM 704 O LYS A 519 3.882 -2.735 -15.187 1.00 0.00 O ATOM 705 CB LYS A 519 1.117 -3.968 -13.499 1.00 0.00 C ATOM 706 CG LYS A 519 0.425 -3.756 -14.834 1.00 0.00 C ATOM 707 CD LYS A 519 0.270 -2.279 -15.153 1.00 0.00 C ATOM 708 CE LYS A 519 -0.778 -1.624 -14.266 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.135 -1.681 -14.876 1.00 0.00 N ATOM 0 H LYS A 519 2.548 -4.387 -11.537 1.00 0.00 H new ATOM 0 HA LYS A 519 2.909 -4.858 -14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.744 -4.887 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.850 -3.152 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.999 -4.241 -15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.556 -4.230 -14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.227 -1.775 -15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.011 -2.159 -16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.795 -2.121 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.504 -0.584 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.821 -1.224 -14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.126 -1.185 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.408 -2.674 -15.024 1.00 0.00 H new ATOM 723 N THR A 520 2.883 -1.636 -13.496 1.00 0.00 N ATOM 724 CA THR A 520 3.347 -0.325 -13.929 1.00 0.00 C ATOM 725 C THR A 520 4.869 -0.274 -13.995 1.00 0.00 C ATOM 726 O THR A 520 5.441 0.344 -14.893 1.00 0.00 O ATOM 727 CB THR A 520 2.848 0.787 -12.987 1.00 0.00 C ATOM 728 OG1 THR A 520 1.417 0.832 -12.997 1.00 0.00 O ATOM 729 CG2 THR A 520 3.406 2.140 -13.403 1.00 0.00 C ATOM 0 H THR A 520 2.313 -1.623 -12.650 1.00 0.00 H new ATOM 0 HA THR A 520 2.937 -0.158 -14.925 1.00 0.00 H new ATOM 0 HB THR A 520 3.197 0.562 -11.979 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.090 1.056 -12.101 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.040 2.909 -12.723 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.495 2.111 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.084 2.370 -14.419 1.00 0.00 H new ATOM 737 N ALA A 521 5.521 -0.927 -13.039 1.00 0.00 N ATOM 738 CA ALA A 521 6.977 -0.959 -12.991 1.00 0.00 C ATOM 739 C ALA A 521 7.558 -1.494 -14.295 1.00 0.00 C ATOM 740 O ALA A 521 8.320 -0.806 -14.975 1.00 0.00 O ATOM 741 CB ALA A 521 7.448 -1.802 -11.816 1.00 0.00 C ATOM 0 H ALA A 521 5.063 -1.441 -12.287 1.00 0.00 H new ATOM 0 HA ALA A 521 7.334 0.062 -12.857 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.538 -1.817 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.071 -1.374 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 521 7.073 -2.820 -11.925 1.00 0.00 H new ATOM 747 N ARG A 522 7.194 -2.725 -14.639 1.00 0.00 N ATOM 748 CA ARG A 522 7.681 -3.353 -15.861 1.00 0.00 C ATOM 749 C ARG A 522 7.362 -2.490 -17.079 1.00 0.00 C ATOM 750 O ARG A 522 8.214 -2.279 -17.943 1.00 0.00 O ATOM 751 CB ARG A 522 7.060 -4.741 -16.029 1.00 0.00 C ATOM 752 CG ARG A 522 7.846 -5.846 -15.343 1.00 0.00 C ATOM 753 CD ARG A 522 7.203 -7.206 -15.563 1.00 0.00 C ATOM 754 NE ARG A 522 8.167 -8.295 -15.437 1.00 0.00 N ATOM 755 CZ ARG A 522 7.826 -9.554 -15.186 1.00 0.00 C ATOM 756 NH1 ARG A 522 6.550 -9.881 -15.037 1.00 0.00 N ATOM 757 NH2 ARG A 522 8.762 -10.489 -15.086 1.00 0.00 N ATOM 0 H ARG A 522 6.563 -3.307 -14.088 1.00 0.00 H new ATOM 0 HA ARG A 522 8.763 -3.454 -15.782 1.00 0.00 H new ATOM 0 HB2 ARG A 522 6.046 -4.727 -15.630 1.00 0.00 H new ATOM 0 HB3 ARG A 522 6.981 -4.969 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 522 8.867 -5.859 -15.725 1.00 0.00 H new ATOM 0 HG3 ARG A 522 7.908 -5.640 -14.274 1.00 0.00 H new ATOM 0 HD2 ARG A 522 6.400 -7.348 -14.840 1.00 0.00 H new ATOM 0 HD3 ARG A 522 6.750 -7.236 -16.554 1.00 0.00 H new ATOM 0 HE ARG A 522 9.157 -8.077 -15.548 1.00 0.00 H new ATOM 0 HH11 ARG A 522 5.828 -9.165 -15.115 1.00 0.00 H new ATOM 0 HH12 ARG A 522 6.291 -10.848 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 522 9.745 -10.241 -15.202 1.00 0.00 H new ATOM 0 HH22 ARG A 522 8.499 -11.455 -14.893 1.00 0.00 H new ATOM 771 N ARG A 523 6.131 -1.996 -17.142 1.00 0.00 N ATOM 772 CA ARG A 523 5.699 -1.158 -18.255 1.00 0.00 C ATOM 773 C ARG A 523 6.501 0.139 -18.302 1.00 0.00 C ATOM 774 O ARG A 523 6.673 0.735 -19.364 1.00 0.00 O ATOM 775 CB ARG A 523 4.207 -0.844 -18.136 1.00 0.00 C ATOM 776 CG ARG A 523 3.709 0.148 -19.174 1.00 0.00 C ATOM 777 CD ARG A 523 3.937 -0.364 -20.588 1.00 0.00 C ATOM 778 NE ARG A 523 3.626 0.649 -21.593 1.00 0.00 N ATOM 779 CZ ARG A 523 3.957 0.538 -22.875 1.00 0.00 C ATOM 780 NH1 ARG A 523 4.606 -0.535 -23.305 1.00 0.00 N ATOM 781 NH2 ARG A 523 3.639 1.502 -23.729 1.00 0.00 N ATOM 0 H ARG A 523 5.414 -2.161 -16.436 1.00 0.00 H new ATOM 0 HA ARG A 523 5.875 -1.707 -19.180 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.641 -1.771 -18.230 1.00 0.00 H new ATOM 0 HB3 ARG A 523 4.006 -0.447 -17.141 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.646 0.334 -19.020 1.00 0.00 H new ATOM 0 HG3 ARG A 523 4.222 1.101 -19.044 1.00 0.00 H new ATOM 0 HD2 ARG A 523 4.975 -0.677 -20.697 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.319 -1.246 -20.758 1.00 0.00 H new ATOM 0 HE ARG A 523 3.128 1.487 -21.294 1.00 0.00 H new ATOM 0 HH11 ARG A 523 4.852 -1.278 -22.651 1.00 0.00 H new ATOM 0 HH12 ARG A 523 4.859 -0.618 -24.290 1.00 0.00 H new ATOM 0 HH21 ARG A 523 3.140 2.329 -23.402 1.00 0.00 H new ATOM 0 HH22 ARG A 523 3.893 1.416 -24.713 1.00 0.00 H new ATOM 795 N GLU A 524 6.988 0.570 -17.142 1.00 0.00 N ATOM 796 CA GLU A 524 7.770 1.797 -17.052 1.00 0.00 C ATOM 797 C GLU A 524 9.265 1.495 -17.104 1.00 0.00 C ATOM 798 O GLU A 524 10.090 2.316 -16.703 1.00 0.00 O ATOM 799 CB GLU A 524 7.435 2.548 -15.761 1.00 0.00 C ATOM 800 CG GLU A 524 6.030 3.125 -15.740 1.00 0.00 C ATOM 801 CD GLU A 524 5.832 4.216 -16.775 1.00 0.00 C ATOM 802 OE1 GLU A 524 6.637 5.170 -16.794 1.00 0.00 O ATOM 803 OE2 GLU A 524 4.871 4.115 -17.566 1.00 0.00 O ATOM 0 H GLU A 524 6.855 0.088 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 524 7.514 2.424 -17.906 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.553 1.870 -14.915 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.153 3.357 -15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.310 2.326 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 524 5.821 3.527 -14.749 1.00 0.00 H new ATOM 810 N ASP A 525 9.606 0.311 -17.601 1.00 0.00 N ATOM 811 CA ASP A 525 11.001 -0.101 -17.706 1.00 0.00 C ATOM 812 C ASP A 525 11.808 0.403 -16.514 1.00 0.00 C ATOM 813 O ASP A 525 12.982 0.746 -16.648 1.00 0.00 O ATOM 814 CB ASP A 525 11.612 0.420 -19.008 1.00 0.00 C ATOM 815 CG ASP A 525 12.765 -0.438 -19.491 1.00 0.00 C ATOM 816 OD1 ASP A 525 13.711 -0.655 -18.706 1.00 0.00 O ATOM 817 OD2 ASP A 525 12.720 -0.892 -20.653 1.00 0.00 O ATOM 0 H ASP A 525 8.936 -0.380 -17.937 1.00 0.00 H new ATOM 0 HA ASP A 525 11.033 -1.191 -17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.842 0.456 -19.779 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.961 1.442 -18.859 1.00 0.00 H new ATOM 822 N GLU A 526 11.169 0.445 -15.349 1.00 0.00 N ATOM 823 CA GLU A 526 11.828 0.909 -14.133 1.00 0.00 C ATOM 824 C GLU A 526 11.824 -0.178 -13.063 1.00 0.00 C ATOM 825 O GLU A 526 11.052 -1.134 -13.137 1.00 0.00 O ATOM 826 CB GLU A 526 11.138 2.167 -13.601 1.00 0.00 C ATOM 827 CG GLU A 526 12.073 3.104 -12.854 1.00 0.00 C ATOM 828 CD GLU A 526 13.090 3.763 -13.766 1.00 0.00 C ATOM 829 OE1 GLU A 526 12.683 4.295 -14.820 1.00 0.00 O ATOM 830 OE2 GLU A 526 14.291 3.746 -13.426 1.00 0.00 O ATOM 0 H GLU A 526 10.197 0.164 -15.221 1.00 0.00 H new ATOM 0 HA GLU A 526 12.863 1.147 -14.379 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.688 2.705 -14.435 1.00 0.00 H new ATOM 0 HB3 GLU A 526 10.326 1.872 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 526 11.486 3.874 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 526 12.595 2.546 -12.077 1.00 0.00 H new ATOM 837 N SER A 527 12.692 -0.025 -12.068 1.00 0.00 N ATOM 838 CA SER A 527 12.793 -0.995 -10.985 1.00 0.00 C ATOM 839 C SER A 527 11.549 -0.954 -10.101 1.00 0.00 C ATOM 840 O SER A 527 10.921 0.094 -9.944 1.00 0.00 O ATOM 841 CB SER A 527 14.040 -0.723 -10.142 1.00 0.00 C ATOM 842 OG SER A 527 14.472 -1.898 -9.477 1.00 0.00 O ATOM 0 H SER A 527 13.336 0.762 -11.990 1.00 0.00 H new ATOM 0 HA SER A 527 12.872 -1.988 -11.427 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.840 -0.348 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 527 13.825 0.055 -9.410 1.00 0.00 H new ATOM 0 HG SER A 527 15.271 -1.698 -8.946 1.00 0.00 H new ATOM 848 N TYR A 528 11.200 -2.100 -9.528 1.00 0.00 N ATOM 849 CA TYR A 528 10.031 -2.196 -8.662 1.00 0.00 C ATOM 850 C TYR A 528 10.116 -1.191 -7.518 1.00 0.00 C ATOM 851 O TYR A 528 9.258 -0.320 -7.376 1.00 0.00 O ATOM 852 CB TYR A 528 9.900 -3.614 -8.102 1.00 0.00 C ATOM 853 CG TYR A 528 9.792 -4.679 -9.170 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.755 -4.661 -10.095 1.00 0.00 C ATOM 855 CD2 TYR A 528 10.727 -5.704 -9.254 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.652 -5.632 -11.072 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.632 -6.678 -10.228 1.00 0.00 C ATOM 858 CZ TYR A 528 9.594 -6.639 -11.135 1.00 0.00 C ATOM 859 OH TYR A 528 9.495 -7.608 -12.106 1.00 0.00 O ATOM 0 H TYR A 528 11.710 -2.975 -9.647 1.00 0.00 H new ATOM 0 HA TYR A 528 9.149 -1.965 -9.259 1.00 0.00 H new ATOM 0 HB2 TYR A 528 10.764 -3.828 -7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.019 -3.663 -7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.017 -3.874 -10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 528 11.541 -5.739 -8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.839 -5.603 -11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.368 -7.467 -10.279 1.00 0.00 H new ATOM 0 HH TYR A 528 10.237 -8.242 -12.013 1.00 0.00 H new ATOM 869 N GLY A 529 11.158 -1.319 -6.702 1.00 0.00 N ATOM 870 CA GLY A 529 11.338 -0.416 -5.580 1.00 0.00 C ATOM 871 C GLY A 529 11.053 1.027 -5.946 1.00 0.00 C ATOM 872 O GLY A 529 10.153 1.652 -5.383 1.00 0.00 O ATOM 0 H GLY A 529 11.881 -2.032 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 529 10.680 -0.718 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.360 -0.499 -5.211 1.00 0.00 H new ATOM 876 N TYR A 530 11.821 1.559 -6.891 1.00 0.00 N ATOM 877 CA TYR A 530 11.650 2.939 -7.328 1.00 0.00 C ATOM 878 C TYR A 530 10.174 3.326 -7.343 1.00 0.00 C ATOM 879 O TYR A 530 9.753 4.241 -6.634 1.00 0.00 O ATOM 880 CB TYR A 530 12.253 3.133 -8.720 1.00 0.00 C ATOM 881 CG TYR A 530 11.978 4.496 -9.314 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.842 5.561 -9.089 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.854 4.720 -10.099 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.595 6.808 -9.630 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.599 5.963 -10.645 1.00 0.00 C ATOM 886 CZ TYR A 530 11.473 7.004 -10.407 1.00 0.00 C ATOM 887 OH TYR A 530 11.222 8.245 -10.947 1.00 0.00 O ATOM 0 H TYR A 530 12.568 1.055 -7.369 1.00 0.00 H new ATOM 0 HA TYR A 530 12.170 3.585 -6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.331 2.981 -8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 530 11.857 2.368 -9.388 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.722 5.411 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.167 3.908 -10.286 1.00 0.00 H new ATOM 0 HE1 TYR A 530 13.277 7.625 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.721 6.119 -11.254 1.00 0.00 H new ATOM 0 HH TYR A 530 10.393 8.213 -11.468 1.00 0.00 H new ATOM 897 N VAL A 531 9.392 2.623 -8.156 1.00 0.00 N ATOM 898 CA VAL A 531 7.963 2.891 -8.263 1.00 0.00 C ATOM 899 C VAL A 531 7.343 3.122 -6.889 1.00 0.00 C ATOM 900 O VAL A 531 6.913 4.231 -6.568 1.00 0.00 O ATOM 901 CB VAL A 531 7.225 1.732 -8.959 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.732 2.013 -9.028 1.00 0.00 C ATOM 903 CG2 VAL A 531 7.796 1.496 -10.349 1.00 0.00 C ATOM 0 H VAL A 531 9.724 1.863 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 531 7.854 3.794 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 531 7.372 0.826 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.228 1.183 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.336 2.128 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.560 2.930 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.263 0.674 -10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.681 2.399 -10.948 1.00 0.00 H new ATOM 0 HG23 VAL A 531 8.854 1.245 -10.270 1.00 0.00 H new ATOM 913 N LEU A 532 7.299 2.068 -6.082 1.00 0.00 N ATOM 914 CA LEU A 532 6.731 2.155 -4.741 1.00 0.00 C ATOM 915 C LEU A 532 7.429 1.187 -3.790 1.00 0.00 C ATOM 916 O LEU A 532 7.259 -0.030 -3.869 1.00 0.00 O ATOM 917 CB LEU A 532 5.231 1.857 -4.780 1.00 0.00 C ATOM 918 CG LEU A 532 4.419 2.343 -3.579 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.303 3.860 -3.592 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.039 1.701 -3.574 1.00 0.00 C ATOM 0 H LEU A 532 7.650 1.143 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 532 6.884 3.170 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 532 4.815 2.308 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.097 0.779 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 532 4.939 2.047 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.722 4.188 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.299 4.301 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.805 4.179 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.475 2.058 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.511 1.967 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.142 0.617 -3.516 1.00 0.00 H new ATOM 932 N PRO A 533 8.231 1.739 -2.868 1.00 0.00 N ATOM 933 CA PRO A 533 8.969 0.942 -1.882 1.00 0.00 C ATOM 934 C PRO A 533 8.049 0.308 -0.845 1.00 0.00 C ATOM 935 O PRO A 533 6.826 0.393 -0.951 1.00 0.00 O ATOM 936 CB PRO A 533 9.895 1.965 -1.220 1.00 0.00 C ATOM 937 CG PRO A 533 9.205 3.273 -1.401 1.00 0.00 C ATOM 938 CD PRO A 533 8.480 3.182 -2.715 1.00 0.00 C ATOM 0 HA PRO A 533 9.495 0.107 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.044 1.739 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.880 1.969 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.509 3.463 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.922 4.094 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.550 3.751 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.082 3.575 -3.534 1.00 0.00 H new ATOM 946 N ASN A 534 8.645 -0.329 0.158 1.00 0.00 N ATOM 947 CA ASN A 534 7.879 -0.978 1.215 1.00 0.00 C ATOM 948 C ASN A 534 7.258 0.055 2.151 1.00 0.00 C ATOM 949 O ASN A 534 6.038 0.218 2.192 1.00 0.00 O ATOM 950 CB ASN A 534 8.773 -1.930 2.011 1.00 0.00 C ATOM 951 CG ASN A 534 9.434 -2.974 1.131 1.00 0.00 C ATOM 952 OD1 ASN A 534 10.165 -2.642 0.198 1.00 0.00 O ATOM 953 ND2 ASN A 534 9.179 -4.243 1.426 1.00 0.00 N ATOM 0 H ASN A 534 9.657 -0.409 0.261 1.00 0.00 H new ATOM 0 HA ASN A 534 7.076 -1.549 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.541 -1.355 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 534 8.178 -2.428 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 534 9.596 -4.990 0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 534 8.567 -4.471 2.209 1.00 0.00 H new ATOM 960 N HIS A 535 8.106 0.753 2.900 1.00 0.00 N ATOM 961 CA HIS A 535 7.641 1.772 3.834 1.00 0.00 C ATOM 962 C HIS A 535 6.429 2.509 3.274 1.00 0.00 C ATOM 963 O HIS A 535 5.436 2.711 3.973 1.00 0.00 O ATOM 964 CB HIS A 535 8.763 2.766 4.136 1.00 0.00 C ATOM 965 CG HIS A 535 9.610 3.093 2.945 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.375 4.179 2.129 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.699 2.470 2.436 1.00 0.00 C ATOM 968 CE1 HIS A 535 10.280 4.210 1.168 1.00 0.00 C ATOM 969 NE2 HIS A 535 11.096 3.184 1.331 1.00 0.00 N ATOM 0 H HIS A 535 9.118 0.631 2.878 1.00 0.00 H new ATOM 0 HA HIS A 535 7.347 1.276 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.327 3.686 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.398 2.357 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.168 1.579 2.826 1.00 0.00 H new ATOM 0 HE1 HIS A 535 10.342 4.948 0.382 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.891 2.958 0.734 1.00 0.00 H new ATOM 977 N MET A 536 6.517 2.909 2.010 1.00 0.00 N ATOM 978 CA MET A 536 5.426 3.624 1.357 1.00 0.00 C ATOM 979 C MET A 536 4.215 2.716 1.173 1.00 0.00 C ATOM 980 O MET A 536 3.162 2.943 1.768 1.00 0.00 O ATOM 981 CB MET A 536 5.883 4.166 0.001 1.00 0.00 C ATOM 982 CG MET A 536 5.039 5.324 -0.506 1.00 0.00 C ATOM 983 SD MET A 536 5.278 6.831 0.454 1.00 0.00 S ATOM 984 CE MET A 536 6.916 7.318 -0.083 1.00 0.00 C ATOM 0 H MET A 536 7.332 2.750 1.417 1.00 0.00 H new ATOM 0 HA MET A 536 5.138 4.459 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.921 4.490 0.080 1.00 0.00 H new ATOM 0 HB3 MET A 536 5.856 3.359 -0.731 1.00 0.00 H new ATOM 0 HG2 MET A 536 5.287 5.519 -1.549 1.00 0.00 H new ATOM 0 HG3 MET A 536 3.987 5.042 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.564 7.436 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 536 7.327 6.551 -0.740 1.00 0.00 H new ATOM 0 HE3 MET A 536 6.856 8.263 -0.622 1.00 0.00 H new ATOM 994 N MET A 537 4.371 1.688 0.346 1.00 0.00 N ATOM 995 CA MET A 537 3.289 0.746 0.085 1.00 0.00 C ATOM 996 C MET A 537 2.508 0.448 1.361 1.00 0.00 C ATOM 997 O MET A 537 1.320 0.758 1.461 1.00 0.00 O ATOM 998 CB MET A 537 3.846 -0.553 -0.501 1.00 0.00 C ATOM 999 CG MET A 537 2.804 -1.385 -1.232 1.00 0.00 C ATOM 1000 SD MET A 537 3.151 -3.153 -1.157 1.00 0.00 S ATOM 1001 CE MET A 537 4.749 -3.219 -1.964 1.00 0.00 C ATOM 0 H MET A 537 5.236 1.486 -0.155 1.00 0.00 H new ATOM 0 HA MET A 537 2.611 1.201 -0.637 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.656 -0.313 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.277 -1.150 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 537 1.822 -1.193 -0.800 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.760 -1.071 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.270 -4.128 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.611 -3.219 -3.045 1.00 0.00 H new ATOM 0 HE3 MET A 537 5.339 -2.350 -1.674 1.00 0.00 H new ATOM 1011 N LEU A 538 3.182 -0.155 2.334 1.00 0.00 N ATOM 1012 CA LEU A 538 2.551 -0.495 3.605 1.00 0.00 C ATOM 1013 C LEU A 538 1.781 0.696 4.167 1.00 0.00 C ATOM 1014 O LEU A 538 0.571 0.623 4.379 1.00 0.00 O ATOM 1015 CB LEU A 538 3.604 -0.958 4.612 1.00 0.00 C ATOM 1016 CG LEU A 538 4.109 -2.392 4.446 1.00 0.00 C ATOM 1017 CD1 LEU A 538 5.414 -2.590 5.201 1.00 0.00 C ATOM 1018 CD2 LEU A 538 3.059 -3.385 4.922 1.00 0.00 C ATOM 0 H LEU A 538 4.165 -0.419 2.267 1.00 0.00 H new ATOM 0 HA LEU A 538 1.846 -1.307 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.458 -0.284 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 538 3.189 -0.854 5.615 1.00 0.00 H new ATOM 0 HG LEU A 538 4.296 -2.571 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 538 5.757 -3.616 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 538 6.167 -1.904 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 538 5.255 -2.392 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 538 3.435 -4.400 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.840 -3.207 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 538 2.148 -3.260 4.336 1.00 0.00 H new ATOM 1030 N LYS A 539 2.492 1.794 4.404 1.00 0.00 N ATOM 1031 CA LYS A 539 1.876 3.003 4.938 1.00 0.00 C ATOM 1032 C LYS A 539 0.519 3.254 4.290 1.00 0.00 C ATOM 1033 O LYS A 539 -0.481 3.456 4.980 1.00 0.00 O ATOM 1034 CB LYS A 539 2.792 4.208 4.712 1.00 0.00 C ATOM 1035 CG LYS A 539 2.203 5.520 5.201 1.00 0.00 C ATOM 1036 CD LYS A 539 3.289 6.533 5.524 1.00 0.00 C ATOM 1037 CE LYS A 539 3.967 7.044 4.263 1.00 0.00 C ATOM 1038 NZ LYS A 539 5.189 7.837 4.572 1.00 0.00 N ATOM 0 H LYS A 539 3.495 1.871 4.235 1.00 0.00 H new ATOM 0 HA LYS A 539 1.727 2.863 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.740 4.033 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 539 3.012 4.292 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.539 5.928 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 539 1.597 5.339 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 539 2.856 7.371 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 539 4.032 6.076 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 539 4.233 6.200 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 539 3.267 7.660 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 5.240 8.658 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 5.150 8.165 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 6.032 7.243 4.438 1.00 0.00 H new ATOM 1052 N ILE A 540 0.490 3.239 2.961 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.745 3.463 2.222 1.00 0.00 C ATOM 1054 C ILE A 540 -1.747 2.341 2.473 1.00 0.00 C ATOM 1055 O ILE A 540 -2.873 2.586 2.907 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.483 3.573 0.708 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.442 4.755 0.413 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.796 3.719 -0.048 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.117 4.672 -0.938 1.00 0.00 C ATOM 0 H ILE A 540 1.308 3.074 2.375 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.161 4.405 2.580 1.00 0.00 H new ATOM 0 HB ILE A 540 0.007 2.659 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.134 5.679 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.206 4.811 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.594 3.796 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.424 2.848 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.312 4.618 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.757 5.543 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.721 3.766 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.360 4.647 -1.722 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.330 1.110 2.199 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.189 -0.051 2.398 1.00 0.00 C ATOM 1073 C ALA A 541 -2.832 -0.026 3.781 1.00 0.00 C ATOM 1074 O ALA A 541 -3.954 -0.497 3.961 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.395 -1.334 2.206 1.00 0.00 C ATOM 0 H ALA A 541 -0.402 0.890 1.838 1.00 0.00 H new ATOM 0 HA ALA A 541 -2.985 -0.015 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.049 -2.193 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -0.988 -1.362 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -0.578 -1.368 2.927 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.112 0.525 4.753 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.614 0.609 6.120 1.00 0.00 C ATOM 1083 C GLU A 542 -3.547 1.805 6.285 1.00 0.00 C ATOM 1084 O GLU A 542 -4.589 1.707 6.932 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.450 0.716 7.108 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.525 -0.490 7.091 1.00 0.00 C ATOM 1087 CD GLU A 542 0.164 -0.715 8.423 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.791 0.235 8.936 1.00 0.00 O ATOM 1089 OE2 GLU A 542 0.075 -1.842 8.953 1.00 0.00 O ATOM 0 H GLU A 542 -1.181 0.919 4.620 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.177 -0.300 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -0.871 1.611 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -1.849 0.843 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.098 -1.379 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 542 0.228 -0.355 6.315 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.163 2.933 5.695 1.00 0.00 N ATOM 1097 CA GLU A 543 -3.965 4.149 5.778 1.00 0.00 C ATOM 1098 C GLU A 543 -5.346 3.932 5.168 1.00 0.00 C ATOM 1099 O GLU A 543 -6.353 4.405 5.698 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.256 5.303 5.066 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.249 6.031 5.941 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.045 7.473 5.518 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -1.834 7.714 4.312 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.096 8.361 6.396 1.00 0.00 O ATOM 0 H GLU A 543 -2.303 3.030 5.155 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.088 4.402 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.746 4.916 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.002 6.016 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -2.587 6.004 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -1.294 5.507 5.904 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.387 3.215 4.051 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.645 2.935 3.367 1.00 0.00 C ATOM 1113 C LEU A 544 -7.400 4.225 3.065 1.00 0.00 C ATOM 1114 O LEU A 544 -8.571 4.384 3.410 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.516 2.008 4.217 1.00 0.00 C ATOM 1116 CG LEU A 544 -6.938 0.622 4.506 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -7.979 -0.260 5.178 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.437 -0.024 3.223 1.00 0.00 C ATOM 0 H LEU A 544 -4.564 2.817 3.599 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.414 2.442 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.716 2.502 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.475 1.882 3.715 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.094 0.735 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.550 -1.242 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.291 0.196 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -8.843 -0.367 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.029 -1.010 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.264 -0.125 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.659 0.599 2.782 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.716 5.170 2.403 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.302 6.463 2.038 1.00 0.00 C ATOM 1132 C PRO A 545 -8.364 6.331 0.950 1.00 0.00 C ATOM 1133 O PRO A 545 -8.044 6.172 -0.228 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.104 7.263 1.521 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.135 6.234 1.051 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.316 5.050 1.960 1.00 0.00 C ATOM 0 HA PRO A 545 -7.813 6.931 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.395 7.932 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.673 7.883 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.327 5.962 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.113 6.610 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.140 4.111 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.624 5.080 2.802 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.628 6.399 1.353 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.737 6.289 0.413 1.00 0.00 C ATOM 1146 C LYS A 546 -10.575 7.276 -0.739 1.00 0.00 C ATOM 1147 O LYS A 546 -11.006 7.010 -1.860 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.066 6.539 1.130 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.081 7.814 1.956 1.00 0.00 C ATOM 1150 CD LYS A 546 -12.578 8.999 1.144 1.00 0.00 C ATOM 1151 CE LYS A 546 -14.083 9.176 1.281 1.00 0.00 C ATOM 1152 NZ LYS A 546 -14.835 8.182 0.467 1.00 0.00 N ATOM 0 H LYS A 546 -9.910 6.530 2.324 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.735 5.278 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -12.865 6.586 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.283 5.692 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -12.720 7.676 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -11.077 8.021 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -12.072 9.906 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -12.321 8.856 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -14.366 9.076 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -14.360 10.183 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -15.818 8.500 0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -14.389 8.090 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -14.824 7.260 0.948 1.00 0.00 H new ATOM 1166 N GLU A 547 -9.949 8.413 -0.454 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.729 9.438 -1.467 1.00 0.00 C ATOM 1168 C GLU A 547 -8.331 9.320 -2.067 1.00 0.00 C ATOM 1169 O GLU A 547 -7.416 8.756 -1.466 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.922 10.832 -0.865 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.343 11.356 -0.985 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.448 12.835 -0.668 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.209 13.210 0.499 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.769 13.617 -1.587 1.00 0.00 O ATOM 0 H GLU A 547 -9.585 8.648 0.470 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.460 9.289 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.641 10.806 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.244 11.529 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.708 11.178 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -11.991 10.797 -0.310 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.160 9.864 -3.280 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.877 9.833 -3.989 1.00 0.00 C ATOM 1183 C PRO A 548 -5.831 10.728 -3.332 1.00 0.00 C ATOM 1184 O PRO A 548 -4.630 10.526 -3.511 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.229 10.357 -5.383 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.442 11.197 -5.178 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.206 10.553 -4.055 1.00 0.00 C ATOM 0 HA PRO A 548 -6.437 8.836 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.410 10.940 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.427 9.538 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -8.169 12.222 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -9.044 11.241 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.732 11.293 -3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.955 9.855 -4.428 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.295 11.715 -2.573 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.398 12.640 -1.890 1.00 0.00 C ATOM 1197 C GLN A 549 -4.569 11.915 -0.836 1.00 0.00 C ATOM 1198 O GLN A 549 -3.386 12.203 -0.656 1.00 0.00 O ATOM 1199 CB GLN A 549 -6.196 13.771 -1.240 1.00 0.00 C ATOM 1200 CG GLN A 549 -5.341 14.957 -0.824 1.00 0.00 C ATOM 1201 CD GLN A 549 -6.147 16.048 -0.146 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -7.118 15.771 0.558 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.747 17.297 -0.356 1.00 0.00 N ATOM 0 H GLN A 549 -7.287 11.895 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.720 13.063 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.961 14.112 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.714 13.382 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.557 14.616 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.846 15.369 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -4.936 17.480 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.251 18.073 0.074 1.00 0.00 H new ATOM 1212 N GLY A 550 -5.198 10.973 -0.139 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.502 10.222 0.890 1.00 0.00 C ATOM 1214 C GLY A 550 -3.325 9.440 0.341 1.00 0.00 C ATOM 1215 O GLY A 550 -2.431 9.045 1.090 1.00 0.00 O ATOM 0 H GLY A 550 -6.177 10.717 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -4.151 10.908 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.200 9.535 1.368 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.325 9.215 -0.968 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.249 8.475 -1.615 1.00 0.00 C ATOM 1221 C ILE A 551 -1.110 9.404 -2.023 1.00 0.00 C ATOM 1222 O ILE A 551 0.012 8.958 -2.265 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.753 7.721 -2.860 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.819 6.697 -2.466 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.594 7.040 -3.573 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.229 7.243 -2.513 1.00 0.00 C ATOM 0 H ILE A 551 -4.058 9.534 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.882 7.752 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.202 8.440 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.749 5.837 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.611 6.337 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -1.967 6.512 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.866 7.790 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.118 6.330 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -5.931 6.462 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.316 8.085 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.457 7.576 -3.526 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.407 10.697 -2.097 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.407 11.689 -2.473 1.00 0.00 C ATOM 1240 C ILE A 552 0.304 12.246 -1.245 1.00 0.00 C ATOM 1241 O ILE A 552 1.499 12.537 -1.285 1.00 0.00 O ATOM 1242 CB ILE A 552 -1.038 12.854 -3.259 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.758 12.328 -4.503 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.026 13.869 -3.646 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.328 13.421 -5.379 1.00 0.00 C ATOM 0 H ILE A 552 -2.331 11.082 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 552 0.317 11.181 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.770 13.349 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -1.061 11.729 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.565 11.665 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 552 -0.435 14.686 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.498 14.263 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 552 0.779 13.387 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.824 12.975 -6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -3.049 14.006 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.522 14.071 -5.720 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.439 12.390 -0.152 1.00 0.00 N ATOM 1258 CA ALA A 553 0.121 12.908 1.090 1.00 0.00 C ATOM 1259 C ALA A 553 1.179 11.965 1.650 1.00 0.00 C ATOM 1260 O ALA A 553 2.233 12.404 2.113 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.983 13.134 2.113 1.00 0.00 C ATOM 0 H ALA A 553 -1.430 12.155 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 553 0.601 13.862 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.550 13.521 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.702 13.853 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.489 12.190 2.317 1.00 0.00 H new ATOM 1267 N CYS A 554 0.893 10.669 1.606 1.00 0.00 N ATOM 1268 CA CYS A 554 1.820 9.663 2.112 1.00 0.00 C ATOM 1269 C CYS A 554 3.218 9.876 1.539 1.00 0.00 C ATOM 1270 O CYS A 554 4.212 9.811 2.263 1.00 0.00 O ATOM 1271 CB CYS A 554 1.322 8.259 1.765 1.00 0.00 C ATOM 1272 SG CYS A 554 1.852 7.669 0.140 1.00 0.00 S ATOM 0 H CYS A 554 0.026 10.290 1.225 1.00 0.00 H new ATOM 0 HA CYS A 554 1.871 9.764 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.674 7.562 2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.233 8.251 1.805 1.00 0.00 H new ATOM 0 HG CYS A 554 3.104 7.324 0.191 1.00 0.00 H new ATOM 1278 N CYS A 555 3.286 10.128 0.237 1.00 0.00 N ATOM 1279 CA CYS A 555 4.562 10.348 -0.434 1.00 0.00 C ATOM 1280 C CYS A 555 4.990 11.808 -0.323 1.00 0.00 C ATOM 1281 O CYS A 555 4.173 12.717 -0.461 1.00 0.00 O ATOM 1282 CB CYS A 555 4.465 9.943 -1.905 1.00 0.00 C ATOM 1283 SG CYS A 555 2.938 10.471 -2.717 1.00 0.00 S ATOM 0 H CYS A 555 2.472 10.185 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 555 5.314 9.730 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 555 5.314 10.364 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.547 8.859 -1.978 1.00 0.00 H new ATOM 0 HG CYS A 555 2.441 11.493 -2.085 1.00 0.00 H new ATOM 1289 N ASN A 556 6.277 12.024 -0.071 1.00 0.00 N ATOM 1290 CA ASN A 556 6.814 13.373 0.061 1.00 0.00 C ATOM 1291 C ASN A 556 8.332 13.373 -0.093 1.00 0.00 C ATOM 1292 O ASN A 556 9.070 12.931 0.788 1.00 0.00 O ATOM 1293 CB ASN A 556 6.428 13.968 1.417 1.00 0.00 C ATOM 1294 CG ASN A 556 6.308 15.479 1.373 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.084 16.193 2.008 1.00 0.00 O ATOM 1296 ND2 ASN A 556 5.331 15.973 0.622 1.00 0.00 N ATOM 0 H ASN A 556 6.967 11.282 0.046 1.00 0.00 H new ATOM 0 HA ASN A 556 6.386 13.986 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 556 5.479 13.540 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 556 7.175 13.687 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 556 5.200 16.982 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 556 4.711 15.343 0.113 1.00 0.00 H new ATOM 1303 N PRO A 557 8.810 13.880 -1.239 1.00 0.00 N ATOM 1304 CA PRO A 557 7.941 14.408 -2.294 1.00 0.00 C ATOM 1305 C PRO A 557 7.150 13.311 -2.997 1.00 0.00 C ATOM 1306 O PRO A 557 7.315 12.127 -2.703 1.00 0.00 O ATOM 1307 CB PRO A 557 8.924 15.065 -3.267 1.00 0.00 C ATOM 1308 CG PRO A 557 10.210 14.346 -3.049 1.00 0.00 C ATOM 1309 CD PRO A 557 10.237 13.976 -1.592 1.00 0.00 C ATOM 0 HA PRO A 557 7.189 15.091 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.585 14.967 -4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.027 16.131 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.272 13.458 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.059 14.979 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 557 10.756 13.032 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.749 14.731 -0.995 1.00 0.00 H new ATOM 1317 N VAL A 558 6.288 13.711 -3.927 1.00 0.00 N ATOM 1318 CA VAL A 558 5.472 12.761 -4.673 1.00 0.00 C ATOM 1319 C VAL A 558 6.150 12.359 -5.977 1.00 0.00 C ATOM 1320 O VAL A 558 6.620 13.198 -6.746 1.00 0.00 O ATOM 1321 CB VAL A 558 4.081 13.343 -4.988 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.221 12.313 -5.705 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.403 13.822 -3.713 1.00 0.00 C ATOM 0 H VAL A 558 6.137 14.687 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 558 5.355 11.880 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 558 4.206 14.200 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.242 12.742 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.703 12.024 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.101 11.434 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.421 14.230 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 558 3.289 12.984 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 558 4.012 14.595 -3.245 1.00 0.00 H new ATOM 1333 N PRO A 559 6.204 11.044 -6.235 1.00 0.00 N ATOM 1334 CA PRO A 559 6.822 10.500 -7.448 1.00 0.00 C ATOM 1335 C PRO A 559 6.012 10.812 -8.702 1.00 0.00 C ATOM 1336 O PRO A 559 4.823 11.124 -8.640 1.00 0.00 O ATOM 1337 CB PRO A 559 6.845 8.991 -7.188 1.00 0.00 C ATOM 1338 CG PRO A 559 5.733 8.756 -6.225 1.00 0.00 C ATOM 1339 CD PRO A 559 5.665 9.987 -5.363 1.00 0.00 C ATOM 0 HA PRO A 559 7.807 10.930 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 559 6.696 8.428 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 559 7.802 8.675 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 559 4.791 8.594 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 559 5.920 7.867 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 559 4.643 10.204 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 559 6.257 9.875 -4.455 1.00 0.00 H new ATOM 1347 N PRO A 560 6.669 10.727 -9.868 1.00 0.00 N ATOM 1348 CA PRO A 560 6.029 10.996 -11.159 1.00 0.00 C ATOM 1349 C PRO A 560 5.016 9.921 -11.539 1.00 0.00 C ATOM 1350 O PRO A 560 4.304 10.049 -12.536 1.00 0.00 O ATOM 1351 CB PRO A 560 7.201 10.997 -12.143 1.00 0.00 C ATOM 1352 CG PRO A 560 8.239 10.146 -11.497 1.00 0.00 C ATOM 1353 CD PRO A 560 8.088 10.360 -10.017 1.00 0.00 C ATOM 0 HA PRO A 560 5.464 11.928 -11.147 1.00 0.00 H new ATOM 0 HB2 PRO A 560 6.905 10.594 -13.111 1.00 0.00 H new ATOM 0 HB3 PRO A 560 7.570 12.008 -12.318 1.00 0.00 H new ATOM 0 HG2 PRO A 560 8.099 9.096 -11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 560 9.238 10.427 -11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.331 9.459 -9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.747 11.149 -9.656 1.00 0.00 H new ATOM 1361 N LEU A 561 4.956 8.862 -10.739 1.00 0.00 N ATOM 1362 CA LEU A 561 4.029 7.765 -10.991 1.00 0.00 C ATOM 1363 C LEU A 561 2.756 7.926 -10.165 1.00 0.00 C ATOM 1364 O LEU A 561 1.686 8.211 -10.703 1.00 0.00 O ATOM 1365 CB LEU A 561 4.693 6.425 -10.668 1.00 0.00 C ATOM 1366 CG LEU A 561 5.940 6.081 -11.484 1.00 0.00 C ATOM 1367 CD1 LEU A 561 6.602 4.824 -10.941 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.585 5.907 -12.953 1.00 0.00 C ATOM 0 H LEU A 561 5.538 8.740 -9.911 1.00 0.00 H new ATOM 0 HA LEU A 561 3.760 7.786 -12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 561 4.962 6.420 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 561 3.958 5.633 -10.813 1.00 0.00 H new ATOM 0 HG LEU A 561 6.647 6.906 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.487 4.594 -11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 561 6.892 4.985 -9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 561 5.902 3.991 -10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.484 5.663 -13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 561 4.860 5.100 -13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.156 6.833 -13.336 1.00 0.00 H new ATOM 1380 N VAL A 562 2.880 7.744 -8.854 1.00 0.00 N ATOM 1381 CA VAL A 562 1.741 7.872 -7.953 1.00 0.00 C ATOM 1382 C VAL A 562 0.793 8.971 -8.419 1.00 0.00 C ATOM 1383 O VAL A 562 -0.424 8.854 -8.282 1.00 0.00 O ATOM 1384 CB VAL A 562 2.196 8.178 -6.514 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.003 8.537 -5.641 1.00 0.00 C ATOM 1386 CG2 VAL A 562 2.955 6.995 -5.933 1.00 0.00 C ATOM 0 H VAL A 562 3.758 7.507 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 562 1.218 6.916 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 562 2.868 9.036 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 562 1.344 8.750 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.505 9.417 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 562 0.303 7.702 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 562 3.269 7.228 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 562 2.308 6.118 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 562 3.833 6.790 -6.546 1.00 0.00 H new ATOM 1396 N ARG A 563 1.360 10.039 -8.972 1.00 0.00 N ATOM 1397 CA ARG A 563 0.565 11.160 -9.458 1.00 0.00 C ATOM 1398 C ARG A 563 -0.062 10.836 -10.811 1.00 0.00 C ATOM 1399 O ARG A 563 -1.258 11.041 -11.016 1.00 0.00 O ATOM 1400 CB ARG A 563 1.432 12.415 -9.574 1.00 0.00 C ATOM 1401 CG ARG A 563 0.629 13.702 -9.676 1.00 0.00 C ATOM 1402 CD ARG A 563 0.345 14.292 -8.303 1.00 0.00 C ATOM 1403 NE ARG A 563 -0.816 15.179 -8.318 1.00 0.00 N ATOM 1404 CZ ARG A 563 -1.059 16.086 -7.379 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -0.228 16.226 -6.356 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -2.136 16.856 -7.463 1.00 0.00 N ATOM 0 H ARG A 563 2.366 10.151 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.235 11.344 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 563 2.089 12.474 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.071 12.325 -10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 563 1.176 14.427 -10.279 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.312 13.505 -10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 563 0.176 13.485 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 563 1.219 14.844 -7.958 1.00 0.00 H new ATOM 0 HE ARG A 563 -1.476 15.097 -9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 563 0.601 15.636 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -0.418 16.924 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -2.778 16.751 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -2.322 17.553 -6.742 1.00 0.00 H new ATOM 1420 N GLN A 564 0.755 10.330 -11.730 1.00 0.00 N ATOM 1421 CA GLN A 564 0.280 9.979 -13.063 1.00 0.00 C ATOM 1422 C GLN A 564 -0.814 8.918 -12.990 1.00 0.00 C ATOM 1423 O GLN A 564 -1.883 9.075 -13.579 1.00 0.00 O ATOM 1424 CB GLN A 564 1.439 9.474 -13.924 1.00 0.00 C ATOM 1425 CG GLN A 564 1.010 8.990 -15.299 1.00 0.00 C ATOM 1426 CD GLN A 564 2.171 8.877 -16.267 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.380 9.750 -17.109 1.00 0.00 O ATOM 1428 NE2 GLN A 564 2.935 7.797 -16.152 1.00 0.00 N ATOM 0 H GLN A 564 1.748 10.154 -11.576 1.00 0.00 H new ATOM 0 HA GLN A 564 -0.139 10.876 -13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.169 10.275 -14.041 1.00 0.00 H new ATOM 0 HB3 GLN A 564 1.941 8.659 -13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.526 8.018 -15.203 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.268 9.677 -15.706 1.00 0.00 H new ATOM 0 HE21 GLN A 564 2.726 7.098 -15.440 1.00 0.00 H new ATOM 0 HE22 GLN A 564 3.731 7.667 -16.776 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.539 7.840 -12.263 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.500 6.754 -12.114 1.00 0.00 C ATOM 1439 C GLN A 565 -2.266 6.881 -10.801 1.00 0.00 C ATOM 1440 O GLN A 565 -2.816 5.902 -10.296 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.786 5.402 -12.173 1.00 0.00 C ATOM 1442 CG GLN A 565 0.028 5.199 -13.441 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.805 4.668 -14.591 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -1.722 5.337 -15.069 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.490 3.460 -15.043 1.00 0.00 N ATOM 0 H GLN A 565 0.341 7.695 -11.768 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.212 6.817 -12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 565 -0.127 5.310 -11.310 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.526 4.606 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.481 6.146 -13.733 1.00 0.00 H new ATOM 0 HG3 GLN A 565 0.844 4.505 -13.237 1.00 0.00 H new ATOM 0 HE21 GLN A 565 0.278 2.940 -14.617 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.016 3.052 -15.816 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.296 8.091 -10.255 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.995 8.346 -9.001 1.00 0.00 C ATOM 1456 C ILE A 566 -4.411 7.781 -9.037 1.00 0.00 C ATOM 1457 O ILE A 566 -4.915 7.276 -8.034 1.00 0.00 O ATOM 1458 CB ILE A 566 -3.064 9.852 -8.690 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.617 10.080 -7.282 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.920 10.568 -9.724 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -2.979 9.198 -6.232 1.00 0.00 C ATOM 0 H ILE A 566 -1.845 8.911 -10.661 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.426 7.847 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 566 -2.056 10.263 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.468 11.124 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.692 9.902 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.959 11.632 -9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.486 10.430 -10.714 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.929 10.156 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.420 9.414 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.150 8.151 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.907 9.392 -6.196 1.00 0.00 H new ATOM 1473 N ASN A 567 -5.048 7.867 -10.201 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.406 7.364 -10.368 1.00 0.00 C ATOM 1475 C ASN A 567 -6.475 5.871 -10.060 1.00 0.00 C ATOM 1476 O ASN A 567 -7.316 5.427 -9.280 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.897 7.624 -11.794 1.00 0.00 C ATOM 1478 CG ASN A 567 -7.104 9.100 -12.073 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -6.356 9.710 -12.837 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -8.125 9.681 -11.454 1.00 0.00 N ATOM 0 H ASN A 567 -4.645 8.280 -11.042 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.051 7.893 -9.666 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.175 7.221 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.834 7.091 -11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -8.315 10.672 -11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -8.719 9.136 -10.829 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.582 5.103 -10.677 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.542 3.660 -10.468 1.00 0.00 C ATOM 1489 C GLU A 568 -5.350 3.330 -8.990 1.00 0.00 C ATOM 1490 O GLU A 568 -6.097 2.537 -8.418 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.416 3.034 -11.292 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.507 1.521 -11.397 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.917 1.040 -11.681 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.703 0.907 -10.721 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -6.233 0.797 -12.865 1.00 0.00 O ATOM 0 H GLU A 568 -4.877 5.455 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.495 3.245 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.431 3.461 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.458 3.302 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.843 1.175 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.155 1.074 -10.467 1.00 0.00 H new ATOM 1502 N MET A 569 -4.341 3.943 -8.379 1.00 0.00 N ATOM 1503 CA MET A 569 -4.050 3.715 -6.969 1.00 0.00 C ATOM 1504 C MET A 569 -5.303 3.900 -6.118 1.00 0.00 C ATOM 1505 O MET A 569 -5.669 3.023 -5.335 1.00 0.00 O ATOM 1506 CB MET A 569 -2.952 4.667 -6.492 1.00 0.00 C ATOM 1507 CG MET A 569 -1.666 4.562 -7.296 1.00 0.00 C ATOM 1508 SD MET A 569 -0.253 5.292 -6.446 1.00 0.00 S ATOM 1509 CE MET A 569 0.162 3.985 -5.295 1.00 0.00 C ATOM 0 H MET A 569 -3.712 4.601 -8.839 1.00 0.00 H new ATOM 0 HA MET A 569 -3.704 2.687 -6.857 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.322 5.691 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.734 4.461 -5.444 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.457 3.513 -7.504 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.802 5.057 -8.258 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.231 3.781 -5.347 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.100 4.295 -4.283 1.00 0.00 H new ATOM 0 HE3 MET A 569 -0.393 3.083 -5.553 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.958 5.046 -6.278 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.171 5.345 -5.525 1.00 0.00 C ATOM 1521 C HIS A 570 -8.174 4.200 -5.633 1.00 0.00 C ATOM 1522 O HIS A 570 -8.735 3.756 -4.631 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.803 6.642 -6.030 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.213 6.842 -5.565 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.148 7.557 -6.283 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.845 6.414 -4.447 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.294 7.561 -5.626 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -11.138 6.874 -4.509 1.00 0.00 N ATOM 0 H HIS A 570 -5.669 5.782 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.898 5.467 -4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.197 7.485 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.785 6.645 -7.120 1.00 0.00 H new ATOM 0 HD1 HIS A 570 -9.981 8.012 -7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.413 5.821 -3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.205 8.044 -5.948 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.395 3.728 -6.855 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.331 2.635 -7.094 1.00 0.00 C ATOM 1538 C LEU A 571 -9.001 1.432 -6.216 1.00 0.00 C ATOM 1539 O LEU A 571 -9.878 0.869 -5.560 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.303 2.227 -8.568 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.969 3.196 -9.546 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.704 2.772 -10.982 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.465 3.277 -9.280 1.00 0.00 C ATOM 0 H LEU A 571 -7.939 4.085 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.331 2.984 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.263 2.097 -8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -9.787 1.255 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.539 4.186 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.186 3.473 -11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.630 2.766 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.106 1.772 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.923 3.971 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.910 2.290 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.635 3.629 -8.262 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.730 1.045 -6.206 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.283 -0.090 -5.406 1.00 0.00 C ATOM 1557 C LEU A 572 -7.702 0.073 -3.948 1.00 0.00 C ATOM 1558 O LEU A 572 -8.324 -0.818 -3.368 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.763 -0.237 -5.498 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.173 -0.231 -6.909 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.660 -0.382 -6.855 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.791 -1.337 -7.751 1.00 0.00 C ATOM 0 H LEU A 572 -6.991 1.500 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.754 -0.990 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.305 0.573 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.478 -1.169 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.406 0.726 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.257 -0.376 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.232 0.445 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.405 -1.324 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.359 -1.317 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.589 -2.303 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.868 -1.185 -7.818 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.358 1.215 -3.363 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.701 1.495 -1.975 1.00 0.00 C ATOM 1576 C ILE A 573 -9.193 1.299 -1.727 1.00 0.00 C ATOM 1577 O ILE A 573 -9.594 0.745 -0.704 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.310 2.931 -1.577 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.819 3.164 -1.827 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.655 3.188 -0.117 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -4.929 2.114 -1.200 1.00 0.00 C ATOM 0 H ILE A 573 -6.842 1.961 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.138 0.791 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 573 -7.876 3.630 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.638 3.187 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.542 4.143 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.373 4.207 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.727 3.057 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.113 2.484 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.886 2.344 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.081 2.106 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.178 1.135 -1.609 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.009 1.756 -2.671 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.457 1.630 -2.556 1.00 0.00 C ATOM 1595 C GLN A 574 -11.886 0.170 -2.657 1.00 0.00 C ATOM 1596 O GLN A 574 -12.868 -0.242 -2.039 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.150 2.454 -3.642 1.00 0.00 C ATOM 1598 CG GLN A 574 -11.841 3.940 -3.569 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.736 4.674 -2.590 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -13.692 5.342 -2.985 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -12.429 4.555 -1.303 1.00 0.00 N ATOM 0 H GLN A 574 -9.692 2.217 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.753 2.010 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -11.850 2.077 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.228 2.311 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.800 4.077 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -11.955 4.380 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -11.628 3.991 -1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -12.995 5.028 -0.598 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.143 -0.607 -3.439 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.448 -2.022 -3.621 1.00 0.00 C ATOM 1612 C GLN A 575 -11.187 -2.804 -2.338 1.00 0.00 C ATOM 1613 O GLN A 575 -11.851 -3.803 -2.063 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.615 -2.601 -4.765 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.076 -2.150 -6.142 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.664 -3.112 -7.239 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.240 -4.191 -7.383 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.662 -2.726 -8.020 1.00 0.00 N ATOM 0 H GLN A 575 -10.326 -0.281 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.505 -2.112 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.573 -2.312 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.653 -3.689 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.161 -2.048 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.663 -1.164 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.213 -1.823 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.341 -3.332 -8.775 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.215 -2.344 -1.558 1.00 0.00 N ATOM 1628 CA ALA A 576 -9.867 -3.000 -0.303 1.00 0.00 C ATOM 1629 C ALA A 576 -10.708 -2.462 0.849 1.00 0.00 C ATOM 1630 O ALA A 576 -10.799 -3.085 1.907 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.385 -2.820 -0.007 1.00 0.00 C ATOM 0 H ALA A 576 -9.654 -1.520 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.079 -4.064 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.139 -3.315 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.797 -3.259 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.156 -1.757 0.072 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.321 -1.302 0.638 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.153 -0.680 1.661 1.00 0.00 C ATOM 1639 C ARG A 577 -13.625 -1.012 1.439 1.00 0.00 C ATOM 1640 O ARG A 577 -14.417 -1.022 2.381 1.00 0.00 O ATOM 1641 CB ARG A 577 -11.955 0.837 1.656 1.00 0.00 C ATOM 1642 CG ARG A 577 -12.226 1.490 3.001 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.728 2.927 3.033 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.507 3.756 3.948 1.00 0.00 N ATOM 1645 CZ ARG A 577 -13.732 4.195 3.680 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -14.315 3.884 2.530 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -14.378 4.945 4.564 1.00 0.00 N ATOM 0 H ARG A 577 -11.257 -0.774 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 577 -11.851 -1.076 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -10.932 1.061 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -12.613 1.279 0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -13.296 1.470 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -11.738 0.917 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.680 2.941 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.777 3.350 2.030 1.00 0.00 H new ATOM 0 HE ARG A 577 -12.088 4.012 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -13.823 3.306 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -15.256 4.222 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -13.934 5.185 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -15.318 5.281 4.357 1.00 0.00 H new ATOM 1661 N GLU A 578 -13.984 -1.284 0.189 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.362 -1.615 -0.156 1.00 0.00 C ATOM 1663 C GLU A 578 -15.873 -2.772 0.699 1.00 0.00 C ATOM 1664 O GLU A 578 -17.014 -2.760 1.160 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.468 -1.977 -1.639 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.255 -3.454 -1.922 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.467 -3.805 -3.382 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -16.054 -2.979 -4.112 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.046 -4.906 -3.794 1.00 0.00 O ATOM 0 H GLU A 578 -13.340 -1.282 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 578 -15.979 -0.739 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -16.451 -1.684 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -14.733 -1.399 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -14.243 -3.734 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -15.939 -4.040 -1.308 1.00 0.00 H new ATOM 1676 N MET A 579 -15.020 -3.770 0.904 1.00 0.00 N ATOM 1677 CA MET A 579 -15.384 -4.934 1.704 1.00 0.00 C ATOM 1678 C MET A 579 -15.246 -4.636 3.193 1.00 0.00 C ATOM 1679 O MET A 579 -14.330 -3.936 3.628 1.00 0.00 O ATOM 1680 CB MET A 579 -14.510 -6.132 1.327 1.00 0.00 C ATOM 1681 CG MET A 579 -13.024 -5.887 1.531 1.00 0.00 C ATOM 1682 SD MET A 579 -12.492 -6.208 3.224 1.00 0.00 S ATOM 1683 CE MET A 579 -13.054 -7.895 3.441 1.00 0.00 C ATOM 0 H MET A 579 -14.072 -3.796 0.528 1.00 0.00 H new ATOM 0 HA MET A 579 -16.427 -5.175 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.813 -6.994 1.922 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.688 -6.387 0.282 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.458 -6.523 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.791 -4.854 1.271 1.00 0.00 H new ATOM 0 HE1 MET A 579 -12.463 -8.378 4.219 1.00 0.00 H new ATOM 0 HE2 MET A 579 -14.104 -7.894 3.732 1.00 0.00 H new ATOM 0 HE3 MET A 579 -12.937 -8.441 2.505 1.00 0.00 H new