USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 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 520 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 565 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Set 2.1: A 536 MET CE :methyl 131:sc= -2.18 (180deg=-0.876) USER MOD Set 2.2: A 555 CYS SG : rot -66:sc= -0.172 USER MOD Single : A 504 THR OG1 : rot 41:sc= 0.135 USER MOD Single : A 505 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.35) USER MOD Single : A 506 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.27) USER MOD Single : A 508 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 511 GLN : amide:sc= -0.461 X(o=-0.46,f=0) 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 -30:sc= 0.125 USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 535 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-5.5!) USER MOD Single : A 537 MET CE :methyl -160:sc= -2.04 (180deg=-3.43!) USER MOD Single : A 539 LYS NZ :NH3+ 166:sc= 0.0887 (180deg=0.0591) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 549 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 554 CYS SG : rot -78:sc= -1.47! USER MOD Single : A 556 ASN : amide:sc= -0.919 K(o=-0.92,f=-3.8!) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 ASN : amide:sc= -1.52 K(o=-1.5,f=-5.3!) USER MOD Single : A 569 MET CE :methyl 148:sc= -0.0144 (180deg=-1.95!) USER MOD Single : A 570 HIS : no HD1:sc= -0.701 K(o=-0.7,f=-4.4!) USER MOD Single : A 574 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.31) USER MOD Single : A 575 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 579 MET CE :methyl -125:sc= -2.11! (180deg=-2.66!) USER MOD ----------------------------------------------------------------- ATOM 445 N THR A 504 -7.617 -7.202 8.303 1.00 0.00 N ATOM 446 CA THR A 504 -8.248 -7.791 7.128 1.00 0.00 C ATOM 447 C THR A 504 -8.189 -6.840 5.938 1.00 0.00 C ATOM 448 O THR A 504 -7.561 -7.140 4.924 1.00 0.00 O ATOM 449 CB THR A 504 -9.717 -8.160 7.405 1.00 0.00 C ATOM 450 OG1 THR A 504 -9.806 -8.970 8.582 1.00 0.00 O ATOM 451 CG2 THR A 504 -10.320 -8.905 6.223 1.00 0.00 C ATOM 0 HA THR A 504 -7.692 -8.699 6.892 1.00 0.00 H new ATOM 0 HB THR A 504 -10.277 -7.238 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 504 -9.192 -8.625 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 504 -11.358 -9.155 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 504 -10.278 -8.274 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 504 -9.756 -9.820 6.044 1.00 0.00 H new ATOM 459 N GLN A 505 -8.847 -5.693 6.071 1.00 0.00 N ATOM 460 CA GLN A 505 -8.870 -4.698 5.005 1.00 0.00 C ATOM 461 C GLN A 505 -7.456 -4.374 4.533 1.00 0.00 C ATOM 462 O GLN A 505 -7.128 -4.549 3.360 1.00 0.00 O ATOM 463 CB GLN A 505 -9.565 -3.423 5.483 1.00 0.00 C ATOM 464 CG GLN A 505 -11.083 -3.512 5.459 1.00 0.00 C ATOM 465 CD GLN A 505 -11.749 -2.159 5.611 1.00 0.00 C ATOM 466 OE1 GLN A 505 -11.228 -1.269 6.285 1.00 0.00 O ATOM 467 NE2 GLN A 505 -12.908 -1.995 4.984 1.00 0.00 N ATOM 0 H GLN A 505 -9.371 -5.430 6.906 1.00 0.00 H new ATOM 0 HA GLN A 505 -9.428 -5.114 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -9.238 -3.200 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -9.248 -2.590 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -11.402 -3.966 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -11.417 -4.170 6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -13.304 -2.759 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -13.402 -1.105 5.050 1.00 0.00 H new ATOM 476 N GLN A 506 -6.624 -3.901 5.455 1.00 0.00 N ATOM 477 CA GLN A 506 -5.245 -3.551 5.132 1.00 0.00 C ATOM 478 C GLN A 506 -4.608 -4.614 4.244 1.00 0.00 C ATOM 479 O GLN A 506 -4.013 -4.301 3.212 1.00 0.00 O ATOM 480 CB GLN A 506 -4.427 -3.382 6.413 1.00 0.00 C ATOM 481 CG GLN A 506 -5.043 -2.410 7.406 1.00 0.00 C ATOM 482 CD GLN A 506 -4.058 -1.952 8.463 1.00 0.00 C ATOM 483 OE1 GLN A 506 -3.259 -2.741 8.967 1.00 0.00 O ATOM 484 NE2 GLN A 506 -4.109 -0.669 8.804 1.00 0.00 N ATOM 0 H GLN A 506 -6.880 -3.751 6.431 1.00 0.00 H new ATOM 0 HA GLN A 506 -5.254 -2.607 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 506 -4.313 -4.354 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 506 -3.427 -3.036 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 506 -5.424 -1.541 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 506 -5.896 -2.884 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 506 -4.788 -0.050 8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 506 -3.470 -0.303 9.509 1.00 0.00 H new ATOM 493 N LEU A 507 -4.737 -5.873 4.650 1.00 0.00 N ATOM 494 CA LEU A 507 -4.173 -6.983 3.891 1.00 0.00 C ATOM 495 C LEU A 507 -4.638 -6.941 2.439 1.00 0.00 C ATOM 496 O LEU A 507 -3.829 -7.025 1.513 1.00 0.00 O ATOM 497 CB LEU A 507 -4.571 -8.316 4.528 1.00 0.00 C ATOM 498 CG LEU A 507 -3.784 -8.726 5.773 1.00 0.00 C ATOM 499 CD1 LEU A 507 -4.445 -9.914 6.455 1.00 0.00 C ATOM 500 CD2 LEU A 507 -2.342 -9.052 5.410 1.00 0.00 C ATOM 0 H LEU A 507 -5.227 -6.150 5.501 1.00 0.00 H new ATOM 0 HA LEU A 507 -3.087 -6.889 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 507 -5.628 -8.269 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 507 -4.462 -9.101 3.779 1.00 0.00 H new ATOM 0 HG LEU A 507 -3.782 -7.888 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 507 -3.871 -10.192 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 507 -5.459 -9.646 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 507 -4.479 -10.757 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 507 -1.797 -9.342 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 507 -2.324 -9.874 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 507 -1.871 -8.174 4.967 1.00 0.00 H new ATOM 512 N THR A 508 -5.946 -6.809 2.245 1.00 0.00 N ATOM 513 CA THR A 508 -6.519 -6.755 0.906 1.00 0.00 C ATOM 514 C THR A 508 -5.876 -5.649 0.077 1.00 0.00 C ATOM 515 O THR A 508 -5.381 -5.892 -1.023 1.00 0.00 O ATOM 516 CB THR A 508 -8.041 -6.526 0.955 1.00 0.00 C ATOM 517 OG1 THR A 508 -8.638 -7.403 1.916 1.00 0.00 O ATOM 518 CG2 THR A 508 -8.668 -6.761 -0.411 1.00 0.00 C ATOM 0 H THR A 508 -6.629 -6.737 2.999 1.00 0.00 H new ATOM 0 HA THR A 508 -6.319 -7.719 0.438 1.00 0.00 H new ATOM 0 HB THR A 508 -8.221 -5.491 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 508 -9.606 -7.250 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 508 -9.743 -6.593 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 508 -8.233 -6.072 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 508 -8.478 -7.787 -0.727 1.00 0.00 H new ATOM 526 N ALA A 509 -5.887 -4.432 0.613 1.00 0.00 N ATOM 527 CA ALA A 509 -5.302 -3.289 -0.076 1.00 0.00 C ATOM 528 C ALA A 509 -3.848 -3.557 -0.449 1.00 0.00 C ATOM 529 O ALA A 509 -3.416 -3.253 -1.561 1.00 0.00 O ATOM 530 CB ALA A 509 -5.406 -2.042 0.789 1.00 0.00 C ATOM 0 H ALA A 509 -6.295 -4.213 1.522 1.00 0.00 H new ATOM 0 HA ALA A 509 -5.861 -3.127 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 509 -4.965 -1.196 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 509 -6.455 -1.832 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 509 -4.873 -2.204 1.726 1.00 0.00 H new ATOM 536 N PHE A 510 -3.098 -4.127 0.488 1.00 0.00 N ATOM 537 CA PHE A 510 -1.691 -4.435 0.259 1.00 0.00 C ATOM 538 C PHE A 510 -1.513 -5.245 -1.022 1.00 0.00 C ATOM 539 O PHE A 510 -0.727 -4.880 -1.895 1.00 0.00 O ATOM 540 CB PHE A 510 -1.115 -5.206 1.448 1.00 0.00 C ATOM 541 CG PHE A 510 0.359 -5.472 1.333 1.00 0.00 C ATOM 542 CD1 PHE A 510 1.241 -4.445 1.040 1.00 0.00 C ATOM 543 CD2 PHE A 510 0.862 -6.750 1.517 1.00 0.00 C ATOM 544 CE1 PHE A 510 2.597 -4.687 0.932 1.00 0.00 C ATOM 545 CE2 PHE A 510 2.218 -6.998 1.412 1.00 0.00 C ATOM 546 CZ PHE A 510 3.086 -5.965 1.120 1.00 0.00 C ATOM 0 H PHE A 510 -3.441 -4.385 1.413 1.00 0.00 H new ATOM 0 HA PHE A 510 -1.152 -3.494 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 510 -1.304 -4.643 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 510 -1.641 -6.156 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 510 0.864 -3.443 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 510 0.187 -7.562 1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 510 3.274 -3.878 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 510 2.598 -7.998 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 510 4.146 -6.156 1.039 1.00 0.00 H new ATOM 556 N GLN A 511 -2.250 -6.347 -1.125 1.00 0.00 N ATOM 557 CA GLN A 511 -2.173 -7.210 -2.297 1.00 0.00 C ATOM 558 C GLN A 511 -2.423 -6.416 -3.575 1.00 0.00 C ATOM 559 O GLN A 511 -1.622 -6.455 -4.510 1.00 0.00 O ATOM 560 CB GLN A 511 -3.186 -8.350 -2.185 1.00 0.00 C ATOM 561 CG GLN A 511 -2.827 -9.568 -3.021 1.00 0.00 C ATOM 562 CD GLN A 511 -1.818 -10.469 -2.336 1.00 0.00 C ATOM 563 OE1 GLN A 511 -2.181 -11.470 -1.718 1.00 0.00 O ATOM 564 NE2 GLN A 511 -0.542 -10.117 -2.444 1.00 0.00 N ATOM 0 H GLN A 511 -2.907 -6.662 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 511 -1.168 -7.630 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 511 -3.270 -8.649 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 511 -4.166 -7.985 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 511 -3.732 -10.138 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 511 -2.424 -9.240 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 511 -0.287 -9.279 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 511 0.183 -10.685 -2.005 1.00 0.00 H new ATOM 573 N LEU A 512 -3.540 -5.697 -3.610 1.00 0.00 N ATOM 574 CA LEU A 512 -3.896 -4.893 -4.774 1.00 0.00 C ATOM 575 C LEU A 512 -2.719 -4.033 -5.223 1.00 0.00 C ATOM 576 O LEU A 512 -2.383 -3.992 -6.407 1.00 0.00 O ATOM 577 CB LEU A 512 -5.100 -4.004 -4.455 1.00 0.00 C ATOM 578 CG LEU A 512 -6.390 -4.732 -4.076 1.00 0.00 C ATOM 579 CD1 LEU A 512 -7.414 -3.752 -3.525 1.00 0.00 C ATOM 580 CD2 LEU A 512 -6.955 -5.477 -5.277 1.00 0.00 C ATOM 0 H LEU A 512 -4.214 -5.654 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 512 -4.157 -5.571 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 512 -4.828 -3.338 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 512 -5.302 -3.376 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 512 -6.158 -5.460 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 512 -8.325 -4.288 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 512 -7.010 -3.264 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 512 -7.642 -3.000 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 512 -7.873 -5.989 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 512 -7.171 -4.768 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 512 -6.226 -6.208 -5.627 1.00 0.00 H new ATOM 592 N LEU A 513 -2.095 -3.350 -4.270 1.00 0.00 N ATOM 593 CA LEU A 513 -0.953 -2.492 -4.566 1.00 0.00 C ATOM 594 C LEU A 513 0.186 -3.296 -5.186 1.00 0.00 C ATOM 595 O LEU A 513 0.568 -3.068 -6.334 1.00 0.00 O ATOM 596 CB LEU A 513 -0.468 -1.797 -3.293 1.00 0.00 C ATOM 597 CG LEU A 513 -1.415 -0.755 -2.695 1.00 0.00 C ATOM 598 CD1 LEU A 513 -0.939 -0.332 -1.314 1.00 0.00 C ATOM 599 CD2 LEU A 513 -1.529 0.452 -3.615 1.00 0.00 C ATOM 0 H LEU A 513 -2.361 -3.374 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 513 -1.274 -1.737 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -0.275 -2.559 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.484 -1.312 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 513 -2.403 -1.205 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -1.625 0.410 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -0.910 -1.201 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 513 0.059 0.099 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -2.207 1.183 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -0.545 0.903 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -1.917 0.136 -4.583 1.00 0.00 H new ATOM 611 N PHE A 514 0.722 -4.239 -4.419 1.00 0.00 N ATOM 612 CA PHE A 514 1.817 -5.078 -4.892 1.00 0.00 C ATOM 613 C PHE A 514 1.674 -5.368 -6.383 1.00 0.00 C ATOM 614 O PHE A 514 2.536 -5.006 -7.183 1.00 0.00 O ATOM 615 CB PHE A 514 1.857 -6.391 -4.107 1.00 0.00 C ATOM 616 CG PHE A 514 3.222 -7.015 -4.053 1.00 0.00 C ATOM 617 CD1 PHE A 514 4.118 -6.668 -3.054 1.00 0.00 C ATOM 618 CD2 PHE A 514 3.610 -7.949 -5.000 1.00 0.00 C ATOM 619 CE1 PHE A 514 5.375 -7.241 -3.002 1.00 0.00 C ATOM 620 CE2 PHE A 514 4.866 -8.525 -4.953 1.00 0.00 C ATOM 621 CZ PHE A 514 5.749 -8.171 -3.952 1.00 0.00 C ATOM 0 H PHE A 514 0.416 -4.442 -3.467 1.00 0.00 H new ATOM 0 HA PHE A 514 2.751 -4.539 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 514 1.509 -6.208 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 514 1.161 -7.097 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 514 3.831 -5.942 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 514 2.923 -8.230 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 514 6.064 -6.962 -2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 514 5.156 -9.251 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 514 6.730 -8.621 -3.912 1.00 0.00 H new ATOM 631 N ALA A 515 0.578 -6.025 -6.750 1.00 0.00 N ATOM 632 CA ALA A 515 0.321 -6.363 -8.144 1.00 0.00 C ATOM 633 C ALA A 515 0.472 -5.140 -9.043 1.00 0.00 C ATOM 634 O ALA A 515 1.188 -5.179 -10.043 1.00 0.00 O ATOM 635 CB ALA A 515 -1.070 -6.962 -8.294 1.00 0.00 C ATOM 0 H ALA A 515 -0.146 -6.333 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 515 1.059 -7.103 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 515 -1.249 -7.210 -9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 515 -1.144 -7.866 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 515 -1.815 -6.240 -7.960 1.00 0.00 H new ATOM 641 N TRP A 516 -0.207 -4.058 -8.680 1.00 0.00 N ATOM 642 CA TRP A 516 -0.148 -2.824 -9.454 1.00 0.00 C ATOM 643 C TRP A 516 1.296 -2.381 -9.663 1.00 0.00 C ATOM 644 O TRP A 516 1.717 -2.116 -10.790 1.00 0.00 O ATOM 645 CB TRP A 516 -0.937 -1.718 -8.751 1.00 0.00 C ATOM 646 CG TRP A 516 -0.647 -0.349 -9.287 1.00 0.00 C ATOM 647 CD1 TRP A 516 -1.241 0.255 -10.358 1.00 0.00 C ATOM 648 CD2 TRP A 516 0.311 0.585 -8.778 1.00 0.00 C ATOM 649 NE1 TRP A 516 -0.711 1.509 -10.545 1.00 0.00 N ATOM 650 CE2 TRP A 516 0.243 1.735 -9.588 1.00 0.00 C ATOM 651 CE3 TRP A 516 1.218 0.563 -7.715 1.00 0.00 C ATOM 652 CZ2 TRP A 516 1.049 2.849 -9.368 1.00 0.00 C ATOM 653 CZ3 TRP A 516 2.017 1.669 -7.498 1.00 0.00 C ATOM 654 CH2 TRP A 516 1.928 2.800 -8.320 1.00 0.00 C ATOM 0 H TRP A 516 -0.805 -4.010 -7.855 1.00 0.00 H new ATOM 0 HA TRP A 516 -0.595 -3.015 -10.430 1.00 0.00 H new ATOM 0 HB2 TRP A 516 -2.003 -1.922 -8.852 1.00 0.00 H new ATOM 0 HB3 TRP A 516 -0.708 -1.739 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 516 -2.014 -0.188 -10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 516 -0.984 2.165 -11.277 1.00 0.00 H new ATOM 0 HE3 TRP A 516 1.293 -0.303 -7.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 516 0.983 3.721 -10.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 516 2.723 1.662 -6.680 1.00 0.00 H new ATOM 0 HH2 TRP A 516 2.565 3.649 -8.123 1.00 0.00 H new ATOM 665 N ARG A 517 2.050 -2.303 -8.572 1.00 0.00 N ATOM 666 CA ARG A 517 3.447 -1.890 -8.637 1.00 0.00 C ATOM 667 C ARG A 517 4.183 -2.634 -9.748 1.00 0.00 C ATOM 668 O ARG A 517 4.840 -2.022 -10.589 1.00 0.00 O ATOM 669 CB ARG A 517 4.138 -2.143 -7.295 1.00 0.00 C ATOM 670 CG ARG A 517 5.636 -1.885 -7.324 1.00 0.00 C ATOM 671 CD ARG A 517 6.210 -1.782 -5.920 1.00 0.00 C ATOM 672 NE ARG A 517 7.636 -2.094 -5.887 1.00 0.00 N ATOM 673 CZ ARG A 517 8.284 -2.460 -4.787 1.00 0.00 C ATOM 674 NH1 ARG A 517 7.635 -2.561 -3.635 1.00 0.00 N ATOM 675 NH2 ARG A 517 9.583 -2.728 -4.838 1.00 0.00 N ATOM 0 H ARG A 517 1.717 -2.520 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 517 3.475 -0.823 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 517 3.683 -1.507 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 517 3.961 -3.176 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.135 -2.690 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 517 5.837 -0.963 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 517 6.051 -0.774 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 517 5.675 -2.463 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 517 8.164 -2.027 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.636 -2.357 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 517 8.134 -2.842 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 517 10.085 -2.653 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 517 10.079 -3.009 -3.992 1.00 0.00 H new ATOM 689 N ASP A 518 4.067 -3.958 -9.743 1.00 0.00 N ATOM 690 CA ASP A 518 4.720 -4.786 -10.751 1.00 0.00 C ATOM 691 C ASP A 518 4.210 -4.446 -12.147 1.00 0.00 C ATOM 692 O ASP A 518 4.993 -4.282 -13.084 1.00 0.00 O ATOM 693 CB ASP A 518 4.484 -6.268 -10.455 1.00 0.00 C ATOM 694 CG ASP A 518 5.277 -7.175 -11.375 1.00 0.00 C ATOM 695 OD1 ASP A 518 6.381 -6.773 -11.799 1.00 0.00 O ATOM 696 OD2 ASP A 518 4.794 -8.288 -11.670 1.00 0.00 O ATOM 0 H ASP A 518 3.527 -4.480 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 518 5.790 -4.582 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 518 4.756 -6.477 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 518 3.422 -6.491 -10.556 1.00 0.00 H new ATOM 701 N LYS A 519 2.892 -4.342 -12.281 1.00 0.00 N ATOM 702 CA LYS A 519 2.275 -4.022 -13.563 1.00 0.00 C ATOM 703 C LYS A 519 2.927 -2.792 -14.188 1.00 0.00 C ATOM 704 O LYS A 519 3.570 -2.881 -15.235 1.00 0.00 O ATOM 705 CB LYS A 519 0.775 -3.782 -13.385 1.00 0.00 C ATOM 706 CG LYS A 519 0.037 -3.542 -14.691 1.00 0.00 C ATOM 707 CD LYS A 519 0.015 -2.067 -15.056 1.00 0.00 C ATOM 708 CE LYS A 519 -0.916 -1.282 -14.145 1.00 0.00 C ATOM 709 NZ LYS A 519 -2.304 -1.231 -14.681 1.00 0.00 N ATOM 0 H LYS A 519 2.230 -4.475 -11.517 1.00 0.00 H new ATOM 0 HA LYS A 519 2.424 -4.870 -14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 519 0.335 -4.643 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 519 0.628 -2.922 -12.731 1.00 0.00 H new ATOM 0 HG2 LYS A 519 0.516 -4.108 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 519 -0.985 -3.912 -14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 519 1.023 -1.659 -14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 519 -0.305 -1.952 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 519 -0.926 -1.739 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 519 -0.536 -0.268 -14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 -2.907 -0.687 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 -2.299 -0.772 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 -2.677 -2.198 -14.772 1.00 0.00 H new ATOM 723 N THR A 520 2.757 -1.644 -13.539 1.00 0.00 N ATOM 724 CA THR A 520 3.329 -0.397 -14.031 1.00 0.00 C ATOM 725 C THR A 520 4.846 -0.495 -14.146 1.00 0.00 C ATOM 726 O THR A 520 5.438 -0.005 -15.107 1.00 0.00 O ATOM 727 CB THR A 520 2.970 0.786 -13.112 1.00 0.00 C ATOM 728 OG1 THR A 520 1.552 0.982 -13.097 1.00 0.00 O ATOM 729 CG2 THR A 520 3.659 2.060 -13.577 1.00 0.00 C ATOM 0 H THR A 520 2.228 -1.552 -12.672 1.00 0.00 H new ATOM 0 HA THR A 520 2.904 -0.222 -15.019 1.00 0.00 H new ATOM 0 HB THR A 520 3.314 0.553 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 520 1.332 1.735 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.391 2.882 -12.913 1.00 0.00 H new ATOM 0 HG22 THR A 520 4.739 1.917 -13.559 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.341 2.296 -14.593 1.00 0.00 H new ATOM 737 N ALA A 521 5.469 -1.131 -13.160 1.00 0.00 N ATOM 738 CA ALA A 521 6.918 -1.295 -13.152 1.00 0.00 C ATOM 739 C ALA A 521 7.431 -1.708 -14.527 1.00 0.00 C ATOM 740 O ALA A 521 8.440 -1.190 -15.005 1.00 0.00 O ATOM 741 CB ALA A 521 7.327 -2.320 -12.104 1.00 0.00 C ATOM 0 H ALA A 521 4.994 -1.541 -12.356 1.00 0.00 H new ATOM 0 HA ALA A 521 7.367 -0.334 -12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 521 8.411 -2.433 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 521 7.002 -1.984 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 521 6.862 -3.279 -12.332 1.00 0.00 H new ATOM 747 N ARG A 522 6.730 -2.644 -15.159 1.00 0.00 N ATOM 748 CA ARG A 522 7.116 -3.128 -16.479 1.00 0.00 C ATOM 749 C ARG A 522 6.914 -2.045 -17.535 1.00 0.00 C ATOM 750 O ARG A 522 7.837 -1.705 -18.275 1.00 0.00 O ATOM 751 CB ARG A 522 6.305 -4.372 -16.847 1.00 0.00 C ATOM 752 CG ARG A 522 6.630 -4.925 -18.225 1.00 0.00 C ATOM 753 CD ARG A 522 5.777 -4.273 -19.302 1.00 0.00 C ATOM 754 NE ARG A 522 5.965 -4.904 -20.606 1.00 0.00 N ATOM 755 CZ ARG A 522 5.264 -4.580 -21.687 1.00 0.00 C ATOM 756 NH1 ARG A 522 4.334 -3.638 -21.620 1.00 0.00 N ATOM 757 NH2 ARG A 522 5.494 -5.200 -22.838 1.00 0.00 N ATOM 0 H ARG A 522 5.892 -3.082 -14.778 1.00 0.00 H new ATOM 0 HA ARG A 522 8.174 -3.389 -16.448 1.00 0.00 H new ATOM 0 HB2 ARG A 522 6.486 -5.147 -16.102 1.00 0.00 H new ATOM 0 HB3 ARG A 522 5.243 -4.129 -16.803 1.00 0.00 H new ATOM 0 HG2 ARG A 522 7.685 -4.760 -18.445 1.00 0.00 H new ATOM 0 HG3 ARG A 522 6.468 -6.003 -18.233 1.00 0.00 H new ATOM 0 HD2 ARG A 522 4.726 -4.333 -19.018 1.00 0.00 H new ATOM 0 HD3 ARG A 522 6.028 -3.215 -19.372 1.00 0.00 H new ATOM 0 HE ARG A 522 6.673 -5.633 -20.691 1.00 0.00 H new ATOM 0 HH11 ARG A 522 4.155 -3.160 -20.737 1.00 0.00 H new ATOM 0 HH12 ARG A 522 3.797 -3.391 -22.452 1.00 0.00 H new ATOM 0 HH21 ARG A 522 6.209 -5.925 -22.893 1.00 0.00 H new ATOM 0 HH22 ARG A 522 4.956 -4.951 -23.668 1.00 0.00 H new ATOM 771 N ARG A 523 5.700 -1.508 -17.599 1.00 0.00 N ATOM 772 CA ARG A 523 5.376 -0.465 -18.566 1.00 0.00 C ATOM 773 C ARG A 523 6.414 0.653 -18.528 1.00 0.00 C ATOM 774 O ARG A 523 6.857 1.137 -19.569 1.00 0.00 O ATOM 775 CB ARG A 523 3.985 0.106 -18.285 1.00 0.00 C ATOM 776 CG ARG A 523 2.853 -0.845 -18.637 1.00 0.00 C ATOM 777 CD ARG A 523 1.494 -0.205 -18.403 1.00 0.00 C ATOM 778 NE ARG A 523 1.148 0.746 -19.457 1.00 0.00 N ATOM 779 CZ ARG A 523 0.259 1.721 -19.304 1.00 0.00 C ATOM 780 NH1 ARG A 523 -0.370 1.873 -18.147 1.00 0.00 N ATOM 781 NH2 ARG A 523 -0.002 2.546 -20.310 1.00 0.00 N ATOM 0 H ARG A 523 4.925 -1.777 -16.993 1.00 0.00 H new ATOM 0 HA ARG A 523 5.384 -0.911 -19.561 1.00 0.00 H new ATOM 0 HB2 ARG A 523 3.915 0.365 -17.229 1.00 0.00 H new ATOM 0 HB3 ARG A 523 3.860 1.030 -18.849 1.00 0.00 H new ATOM 0 HG2 ARG A 523 2.940 -1.145 -19.681 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.938 -1.751 -18.037 1.00 0.00 H new ATOM 0 HD2 ARG A 523 0.731 -0.982 -18.351 1.00 0.00 H new ATOM 0 HD3 ARG A 523 1.495 0.306 -17.440 1.00 0.00 H new ATOM 0 HE ARG A 523 1.615 0.656 -20.360 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -0.172 1.240 -17.372 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -1.052 2.623 -18.032 1.00 0.00 H new ATOM 0 HH21 ARG A 523 0.480 2.432 -21.202 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -0.685 3.294 -20.192 1.00 0.00 H new ATOM 795 N GLU A 524 6.797 1.057 -17.321 1.00 0.00 N ATOM 796 CA GLU A 524 7.781 2.119 -17.148 1.00 0.00 C ATOM 797 C GLU A 524 9.190 1.606 -17.431 1.00 0.00 C ATOM 798 O GLU A 524 10.036 2.335 -17.949 1.00 0.00 O ATOM 799 CB GLU A 524 7.709 2.686 -15.729 1.00 0.00 C ATOM 800 CG GLU A 524 6.428 3.451 -15.444 1.00 0.00 C ATOM 801 CD GLU A 524 6.189 4.579 -16.430 1.00 0.00 C ATOM 802 OE1 GLU A 524 7.061 5.466 -16.539 1.00 0.00 O ATOM 803 OE2 GLU A 524 5.130 4.573 -17.092 1.00 0.00 O ATOM 0 H GLU A 524 6.441 0.665 -16.449 1.00 0.00 H new ATOM 0 HA GLU A 524 7.551 2.912 -17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.800 1.868 -15.015 1.00 0.00 H new ATOM 0 HB3 GLU A 524 8.561 3.347 -15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 524 5.584 2.762 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 524 6.470 3.859 -14.434 1.00 0.00 H new ATOM 810 N ASP A 525 9.435 0.346 -17.087 1.00 0.00 N ATOM 811 CA ASP A 525 10.740 -0.266 -17.304 1.00 0.00 C ATOM 812 C ASP A 525 11.778 0.314 -16.349 1.00 0.00 C ATOM 813 O ASP A 525 12.911 0.590 -16.742 1.00 0.00 O ATOM 814 CB ASP A 525 11.190 -0.061 -18.752 1.00 0.00 C ATOM 815 CG ASP A 525 12.163 -1.128 -19.213 1.00 0.00 C ATOM 816 OD1 ASP A 525 13.023 -1.535 -18.405 1.00 0.00 O ATOM 817 OD2 ASP A 525 12.065 -1.554 -20.383 1.00 0.00 O ATOM 0 H ASP A 525 8.746 -0.271 -16.657 1.00 0.00 H new ATOM 0 HA ASP A 525 10.649 -1.334 -17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 525 10.317 -0.064 -19.404 1.00 0.00 H new ATOM 0 HB3 ASP A 525 11.657 0.919 -18.849 1.00 0.00 H new ATOM 822 N GLU A 526 11.382 0.497 -15.093 1.00 0.00 N ATOM 823 CA GLU A 526 12.279 1.047 -14.082 1.00 0.00 C ATOM 824 C GLU A 526 12.346 0.135 -12.861 1.00 0.00 C ATOM 825 O GLU A 526 11.572 -0.815 -12.738 1.00 0.00 O ATOM 826 CB GLU A 526 11.816 2.444 -13.664 1.00 0.00 C ATOM 827 CG GLU A 526 11.737 3.430 -14.818 1.00 0.00 C ATOM 828 CD GLU A 526 13.100 3.942 -15.241 1.00 0.00 C ATOM 829 OE1 GLU A 526 14.021 3.946 -14.398 1.00 0.00 O ATOM 830 OE2 GLU A 526 13.245 4.340 -16.417 1.00 0.00 O ATOM 0 H GLU A 526 10.447 0.273 -14.751 1.00 0.00 H new ATOM 0 HA GLU A 526 13.276 1.117 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 526 10.835 2.367 -13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 526 12.500 2.834 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 526 11.253 2.950 -15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 526 11.110 4.273 -14.528 1.00 0.00 H new ATOM 837 N SER A 527 13.278 0.430 -11.960 1.00 0.00 N ATOM 838 CA SER A 527 13.450 -0.366 -10.750 1.00 0.00 C ATOM 839 C SER A 527 12.169 -0.378 -9.921 1.00 0.00 C ATOM 840 O SER A 527 11.548 0.662 -9.702 1.00 0.00 O ATOM 841 CB SER A 527 14.607 0.184 -9.913 1.00 0.00 C ATOM 842 OG SER A 527 14.326 1.494 -9.453 1.00 0.00 O ATOM 0 H SER A 527 13.925 1.214 -12.045 1.00 0.00 H new ATOM 0 HA SER A 527 13.680 -1.389 -11.047 1.00 0.00 H new ATOM 0 HB2 SER A 527 14.788 -0.472 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 527 15.519 0.193 -10.509 1.00 0.00 H new ATOM 0 HG SER A 527 15.080 1.822 -8.919 1.00 0.00 H new ATOM 848 N TYR A 528 11.780 -1.562 -9.462 1.00 0.00 N ATOM 849 CA TYR A 528 10.572 -1.712 -8.660 1.00 0.00 C ATOM 850 C TYR A 528 10.590 -0.761 -7.467 1.00 0.00 C ATOM 851 O TYR A 528 9.581 -0.136 -7.141 1.00 0.00 O ATOM 852 CB TYR A 528 10.434 -3.156 -8.173 1.00 0.00 C ATOM 853 CG TYR A 528 10.173 -4.147 -9.285 1.00 0.00 C ATOM 854 CD1 TYR A 528 8.986 -4.114 -10.007 1.00 0.00 C ATOM 855 CD2 TYR A 528 11.112 -5.116 -9.613 1.00 0.00 C ATOM 856 CE1 TYR A 528 8.742 -5.018 -11.023 1.00 0.00 C ATOM 857 CE2 TYR A 528 10.878 -6.023 -10.628 1.00 0.00 C ATOM 858 CZ TYR A 528 9.692 -5.970 -11.330 1.00 0.00 C ATOM 859 OH TYR A 528 9.454 -6.873 -12.341 1.00 0.00 O ATOM 0 H TYR A 528 12.284 -2.432 -9.632 1.00 0.00 H new ATOM 0 HA TYR A 528 9.716 -1.464 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 528 11.346 -3.443 -7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 528 9.620 -3.211 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.241 -3.369 -9.770 1.00 0.00 H new ATOM 0 HD2 TYR A 528 12.041 -5.161 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 528 7.814 -4.980 -11.573 1.00 0.00 H new ATOM 0 HE2 TYR A 528 11.620 -6.770 -10.871 1.00 0.00 H new ATOM 0 HH TYR A 528 8.491 -7.043 -12.408 1.00 0.00 H new ATOM 869 N GLY A 529 11.746 -0.656 -6.818 1.00 0.00 N ATOM 870 CA GLY A 529 11.875 0.220 -5.669 1.00 0.00 C ATOM 871 C GLY A 529 11.469 1.647 -5.980 1.00 0.00 C ATOM 872 O GLY A 529 10.661 2.240 -5.264 1.00 0.00 O ATOM 0 H GLY A 529 12.595 -1.162 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 529 11.259 -0.161 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 529 12.908 0.207 -5.320 1.00 0.00 H new ATOM 876 N TYR A 530 12.030 2.201 -7.049 1.00 0.00 N ATOM 877 CA TYR A 530 11.725 3.569 -7.450 1.00 0.00 C ATOM 878 C TYR A 530 10.218 3.808 -7.470 1.00 0.00 C ATOM 879 O TYR A 530 9.709 4.695 -6.785 1.00 0.00 O ATOM 880 CB TYR A 530 12.317 3.862 -8.830 1.00 0.00 C ATOM 881 CG TYR A 530 11.910 5.206 -9.390 1.00 0.00 C ATOM 882 CD1 TYR A 530 12.580 6.366 -9.021 1.00 0.00 C ATOM 883 CD2 TYR A 530 10.855 5.317 -10.287 1.00 0.00 C ATOM 884 CE1 TYR A 530 12.212 7.597 -9.530 1.00 0.00 C ATOM 885 CE2 TYR A 530 10.481 6.543 -10.802 1.00 0.00 C ATOM 886 CZ TYR A 530 11.162 7.680 -10.420 1.00 0.00 C ATOM 887 OH TYR A 530 10.791 8.903 -10.930 1.00 0.00 O ATOM 0 H TYR A 530 12.699 1.724 -7.654 1.00 0.00 H new ATOM 0 HA TYR A 530 12.172 4.243 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 530 13.404 3.818 -8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 530 12.007 3.080 -9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 530 13.403 6.305 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 530 10.318 4.429 -10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 530 12.744 8.489 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.660 6.611 -11.500 1.00 0.00 H new ATOM 0 HH TYR A 530 10.035 8.786 -11.543 1.00 0.00 H new ATOM 897 N VAL A 531 9.509 3.008 -8.260 1.00 0.00 N ATOM 898 CA VAL A 531 8.060 3.129 -8.368 1.00 0.00 C ATOM 899 C VAL A 531 7.421 3.325 -6.998 1.00 0.00 C ATOM 900 O VAL A 531 6.800 4.356 -6.732 1.00 0.00 O ATOM 901 CB VAL A 531 7.442 1.888 -9.038 1.00 0.00 C ATOM 902 CG1 VAL A 531 5.928 2.018 -9.109 1.00 0.00 C ATOM 903 CG2 VAL A 531 8.033 1.681 -10.425 1.00 0.00 C ATOM 0 H VAL A 531 9.915 2.269 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 531 7.861 4.004 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 531 7.680 1.013 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 531 5.509 1.132 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 531 5.523 2.114 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 531 5.666 2.901 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 531 7.585 0.800 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 531 7.827 2.556 -11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 531 9.111 1.539 -10.344 1.00 0.00 H new ATOM 913 N LEU A 532 7.576 2.331 -6.131 1.00 0.00 N ATOM 914 CA LEU A 532 7.014 2.394 -4.786 1.00 0.00 C ATOM 915 C LEU A 532 7.724 1.418 -3.854 1.00 0.00 C ATOM 916 O LEU A 532 7.714 0.204 -4.061 1.00 0.00 O ATOM 917 CB LEU A 532 5.517 2.085 -4.823 1.00 0.00 C ATOM 918 CG LEU A 532 4.777 2.187 -3.489 1.00 0.00 C ATOM 919 CD1 LEU A 532 4.473 3.640 -3.157 1.00 0.00 C ATOM 920 CD2 LEU A 532 3.496 1.367 -3.525 1.00 0.00 C ATOM 0 H LEU A 532 8.086 1.472 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 532 7.160 3.404 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 532 5.044 2.765 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 532 5.384 1.076 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 532 5.420 1.784 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 532 3.946 3.693 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 532 5.405 4.200 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 532 3.849 4.070 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 532 2.983 1.452 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 532 2.848 1.739 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 532 3.738 0.322 -3.716 1.00 0.00 H new ATOM 932 N PRO A 533 8.354 1.957 -2.800 1.00 0.00 N ATOM 933 CA PRO A 533 9.078 1.152 -1.812 1.00 0.00 C ATOM 934 C PRO A 533 8.141 0.314 -0.948 1.00 0.00 C ATOM 935 O PRO A 533 6.921 0.446 -1.032 1.00 0.00 O ATOM 936 CB PRO A 533 9.799 2.199 -0.960 1.00 0.00 C ATOM 937 CG PRO A 533 8.975 3.433 -1.099 1.00 0.00 C ATOM 938 CD PRO A 533 8.407 3.396 -2.490 1.00 0.00 C ATOM 0 HA PRO A 533 9.748 0.433 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.867 1.884 0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 533 10.818 2.362 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 533 8.180 3.458 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 533 9.581 4.326 -0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 533 7.418 3.853 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 533 9.038 3.936 -3.196 1.00 0.00 H new ATOM 946 N ASN A 534 8.721 -0.547 -0.118 1.00 0.00 N ATOM 947 CA ASN A 534 7.937 -1.406 0.762 1.00 0.00 C ATOM 948 C ASN A 534 7.284 -0.593 1.876 1.00 0.00 C ATOM 949 O ASN A 534 6.058 -0.508 1.961 1.00 0.00 O ATOM 950 CB ASN A 534 8.822 -2.498 1.365 1.00 0.00 C ATOM 951 CG ASN A 534 8.033 -3.488 2.199 1.00 0.00 C ATOM 952 OD1 ASN A 534 7.765 -3.249 3.377 1.00 0.00 O ATOM 953 ND2 ASN A 534 7.657 -4.607 1.591 1.00 0.00 N ATOM 0 H ASN A 534 9.730 -0.668 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 534 7.151 -1.872 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 534 9.335 -3.030 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 534 9.591 -2.037 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 534 7.124 -5.311 2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 534 7.901 -4.763 0.613 1.00 0.00 H new ATOM 960 N HIS A 535 8.111 0.005 2.728 1.00 0.00 N ATOM 961 CA HIS A 535 7.615 0.813 3.836 1.00 0.00 C ATOM 962 C HIS A 535 6.419 1.655 3.402 1.00 0.00 C ATOM 963 O HIS A 535 5.353 1.598 4.013 1.00 0.00 O ATOM 964 CB HIS A 535 8.724 1.719 4.371 1.00 0.00 C ATOM 965 CG HIS A 535 9.577 2.320 3.297 1.00 0.00 C ATOM 966 ND1 HIS A 535 9.302 3.538 2.712 1.00 0.00 N ATOM 967 CD2 HIS A 535 10.705 1.865 2.703 1.00 0.00 C ATOM 968 CE1 HIS A 535 10.223 3.806 1.803 1.00 0.00 C ATOM 969 NE2 HIS A 535 11.086 2.806 1.779 1.00 0.00 N ATOM 0 H HIS A 535 9.128 -0.055 2.672 1.00 0.00 H new ATOM 0 HA HIS A 535 7.293 0.138 4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 535 8.276 2.520 4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 535 9.357 1.144 5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 535 11.211 0.935 2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 535 10.263 4.691 1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 535 11.903 2.743 1.172 1.00 0.00 H new ATOM 977 N MET A 536 6.605 2.437 2.343 1.00 0.00 N ATOM 978 CA MET A 536 5.541 3.290 1.827 1.00 0.00 C ATOM 979 C MET A 536 4.313 2.465 1.459 1.00 0.00 C ATOM 980 O MET A 536 3.222 2.689 1.983 1.00 0.00 O ATOM 981 CB MET A 536 6.031 4.071 0.606 1.00 0.00 C ATOM 982 CG MET A 536 5.059 5.142 0.139 1.00 0.00 C ATOM 983 SD MET A 536 5.794 6.273 -1.057 1.00 0.00 S ATOM 984 CE MET A 536 7.036 7.075 -0.045 1.00 0.00 C ATOM 0 H MET A 536 7.482 2.497 1.826 1.00 0.00 H new ATOM 0 HA MET A 536 5.261 3.994 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 536 6.987 4.538 0.843 1.00 0.00 H new ATOM 0 HB3 MET A 536 6.211 3.374 -0.212 1.00 0.00 H new ATOM 0 HG2 MET A 536 4.186 4.665 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 536 4.708 5.709 1.001 1.00 0.00 H new ATOM 0 HE1 MET A 536 7.993 7.066 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 536 6.738 8.106 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 536 7.134 6.542 0.901 1.00 0.00 H new ATOM 994 N MET A 537 4.497 1.510 0.553 1.00 0.00 N ATOM 995 CA MET A 537 3.403 0.651 0.116 1.00 0.00 C ATOM 996 C MET A 537 2.469 0.326 1.277 1.00 0.00 C ATOM 997 O MET A 537 1.254 0.505 1.179 1.00 0.00 O ATOM 998 CB MET A 537 3.952 -0.643 -0.490 1.00 0.00 C ATOM 999 CG MET A 537 2.974 -1.342 -1.420 1.00 0.00 C ATOM 1000 SD MET A 537 3.800 -2.359 -2.659 1.00 0.00 S ATOM 1001 CE MET A 537 4.588 -3.586 -1.618 1.00 0.00 C ATOM 0 H MET A 537 5.393 1.312 0.108 1.00 0.00 H new ATOM 0 HA MET A 537 2.835 1.187 -0.644 1.00 0.00 H new ATOM 0 HB2 MET A 537 4.866 -0.418 -1.040 1.00 0.00 H new ATOM 0 HB3 MET A 537 4.225 -1.325 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 537 2.302 -1.967 -0.831 1.00 0.00 H new ATOM 0 HG3 MET A 537 2.358 -0.595 -1.921 1.00 0.00 H new ATOM 0 HE1 MET A 537 5.403 -4.059 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 537 4.984 -3.104 -0.724 1.00 0.00 H new ATOM 0 HE3 MET A 537 3.857 -4.342 -1.330 1.00 0.00 H new ATOM 1011 N LEU A 538 3.042 -0.153 2.376 1.00 0.00 N ATOM 1012 CA LEU A 538 2.261 -0.504 3.556 1.00 0.00 C ATOM 1013 C LEU A 538 1.538 0.719 4.113 1.00 0.00 C ATOM 1014 O LEU A 538 0.313 0.727 4.237 1.00 0.00 O ATOM 1015 CB LEU A 538 3.167 -1.108 4.631 1.00 0.00 C ATOM 1016 CG LEU A 538 3.545 -2.578 4.441 1.00 0.00 C ATOM 1017 CD1 LEU A 538 4.711 -2.949 5.342 1.00 0.00 C ATOM 1018 CD2 LEU A 538 2.348 -3.476 4.716 1.00 0.00 C ATOM 0 H LEU A 538 4.046 -0.307 2.474 1.00 0.00 H new ATOM 0 HA LEU A 538 1.515 -1.242 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 538 4.084 -0.521 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 538 2.672 -1.003 5.596 1.00 0.00 H new ATOM 0 HG LEU A 538 3.852 -2.724 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 538 4.966 -3.998 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 538 5.572 -2.328 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 538 4.432 -2.787 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 538 2.635 -4.518 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 538 2.010 -3.327 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 538 1.540 -3.227 4.028 1.00 0.00 H new ATOM 1030 N LYS A 539 2.305 1.752 4.447 1.00 0.00 N ATOM 1031 CA LYS A 539 1.738 2.982 4.987 1.00 0.00 C ATOM 1032 C LYS A 539 0.417 3.319 4.304 1.00 0.00 C ATOM 1033 O LYS A 539 -0.545 3.722 4.958 1.00 0.00 O ATOM 1034 CB LYS A 539 2.724 4.140 4.815 1.00 0.00 C ATOM 1035 CG LYS A 539 2.213 5.461 5.364 1.00 0.00 C ATOM 1036 CD LYS A 539 3.192 6.592 5.098 1.00 0.00 C ATOM 1037 CE LYS A 539 2.749 7.882 5.770 1.00 0.00 C ATOM 1038 NZ LYS A 539 3.600 9.037 5.369 1.00 0.00 N ATOM 0 H LYS A 539 3.321 1.761 4.353 1.00 0.00 H new ATOM 0 HA LYS A 539 1.548 2.829 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 539 3.660 3.887 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 539 2.950 4.260 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 539 1.251 5.697 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 539 2.045 5.369 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 539 4.181 6.312 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 539 3.281 6.752 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 539 1.711 8.089 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 539 2.789 7.760 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 3.136 9.924 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 4.525 8.966 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 3.734 9.028 4.338 1.00 0.00 H new ATOM 1052 N ILE A 540 0.378 3.151 2.986 1.00 0.00 N ATOM 1053 CA ILE A 540 -0.827 3.435 2.216 1.00 0.00 C ATOM 1054 C ILE A 540 -1.911 2.398 2.488 1.00 0.00 C ATOM 1055 O ILE A 540 -3.023 2.739 2.890 1.00 0.00 O ATOM 1056 CB ILE A 540 -0.533 3.470 0.705 1.00 0.00 C ATOM 1057 CG1 ILE A 540 0.403 4.634 0.372 1.00 0.00 C ATOM 1058 CG2 ILE A 540 -1.829 3.583 -0.084 1.00 0.00 C ATOM 1059 CD1 ILE A 540 1.095 4.489 -0.966 1.00 0.00 C ATOM 0 H ILE A 540 1.166 2.820 2.430 1.00 0.00 H new ATOM 0 HA ILE A 540 -1.180 4.417 2.532 1.00 0.00 H new ATOM 0 HB ILE A 540 -0.039 2.540 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -0.168 5.562 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 540 1.157 4.719 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -1.605 3.607 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -2.464 2.724 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -2.348 4.499 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 540 1.742 5.349 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 540 1.694 3.578 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 540 0.348 4.435 -1.758 1.00 0.00 H new ATOM 1071 N ALA A 541 -1.578 1.130 2.268 1.00 0.00 N ATOM 1072 CA ALA A 541 -2.522 0.043 2.494 1.00 0.00 C ATOM 1073 C ALA A 541 -3.165 0.150 3.872 1.00 0.00 C ATOM 1074 O ALA A 541 -4.345 -0.154 4.041 1.00 0.00 O ATOM 1075 CB ALA A 541 -1.825 -1.301 2.337 1.00 0.00 C ATOM 0 H ALA A 541 -0.662 0.831 1.934 1.00 0.00 H new ATOM 0 HA ALA A 541 -3.313 0.120 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -2.541 -2.105 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -1.420 -1.385 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -1.014 -1.377 3.061 1.00 0.00 H new ATOM 1081 N GLU A 542 -2.380 0.584 4.854 1.00 0.00 N ATOM 1082 CA GLU A 542 -2.874 0.730 6.218 1.00 0.00 C ATOM 1083 C GLU A 542 -3.771 1.959 6.343 1.00 0.00 C ATOM 1084 O GLU A 542 -4.784 1.931 7.041 1.00 0.00 O ATOM 1085 CB GLU A 542 -1.705 0.836 7.199 1.00 0.00 C ATOM 1086 CG GLU A 542 -0.725 -0.322 7.105 1.00 0.00 C ATOM 1087 CD GLU A 542 0.352 -0.262 8.170 1.00 0.00 C ATOM 1088 OE1 GLU A 542 0.836 0.851 8.464 1.00 0.00 O ATOM 1089 OE2 GLU A 542 0.711 -1.329 8.711 1.00 0.00 O ATOM 0 H GLU A 542 -1.401 0.840 4.730 1.00 0.00 H new ATOM 0 HA GLU A 542 -3.463 -0.155 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -1.171 1.769 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -2.097 0.888 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -1.269 -1.262 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -0.258 -0.319 6.120 1.00 0.00 H new ATOM 1096 N GLU A 543 -3.389 3.035 5.663 1.00 0.00 N ATOM 1097 CA GLU A 543 -4.157 4.274 5.699 1.00 0.00 C ATOM 1098 C GLU A 543 -5.536 4.078 5.075 1.00 0.00 C ATOM 1099 O GLU A 543 -6.547 4.513 5.627 1.00 0.00 O ATOM 1100 CB GLU A 543 -3.407 5.387 4.966 1.00 0.00 C ATOM 1101 CG GLU A 543 -2.401 6.120 5.837 1.00 0.00 C ATOM 1102 CD GLU A 543 -2.982 6.534 7.176 1.00 0.00 C ATOM 1103 OE1 GLU A 543 -4.102 7.084 7.192 1.00 0.00 O ATOM 1104 OE2 GLU A 543 -2.314 6.307 8.207 1.00 0.00 O ATOM 0 H GLU A 543 -2.553 3.074 5.081 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.287 4.560 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -2.888 4.960 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -4.129 6.105 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -1.535 5.479 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -2.046 7.005 5.310 1.00 0.00 H new ATOM 1111 N LEU A 544 -5.568 3.420 3.922 1.00 0.00 N ATOM 1112 CA LEU A 544 -6.822 3.166 3.221 1.00 0.00 C ATOM 1113 C LEU A 544 -7.578 4.466 2.969 1.00 0.00 C ATOM 1114 O LEU A 544 -8.754 4.606 3.309 1.00 0.00 O ATOM 1115 CB LEU A 544 -7.694 2.203 4.028 1.00 0.00 C ATOM 1116 CG LEU A 544 -7.146 0.787 4.203 1.00 0.00 C ATOM 1117 CD1 LEU A 544 -8.189 -0.113 4.849 1.00 0.00 C ATOM 1118 CD2 LEU A 544 -6.704 0.217 2.863 1.00 0.00 C ATOM 0 H LEU A 544 -4.740 3.053 3.452 1.00 0.00 H new ATOM 0 HA LEU A 544 -6.586 2.713 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -7.856 2.633 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -8.669 2.137 3.546 1.00 0.00 H new ATOM 0 HG LEU A 544 -6.278 0.833 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -7.781 -1.117 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -8.458 0.285 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -9.076 -0.153 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -6.317 -0.792 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -7.555 0.185 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -5.923 0.848 2.439 1.00 0.00 H new ATOM 1130 N PRO A 545 -6.891 5.442 2.357 1.00 0.00 N ATOM 1131 CA PRO A 545 -7.479 6.748 2.043 1.00 0.00 C ATOM 1132 C PRO A 545 -8.529 6.661 0.941 1.00 0.00 C ATOM 1133 O PRO A 545 -8.197 6.530 -0.238 1.00 0.00 O ATOM 1134 CB PRO A 545 -6.279 7.574 1.575 1.00 0.00 C ATOM 1135 CG PRO A 545 -5.301 6.570 1.070 1.00 0.00 C ATOM 1136 CD PRO A 545 -5.487 5.346 1.923 1.00 0.00 C ATOM 0 HA PRO A 545 -8.001 7.177 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 545 -6.564 8.277 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 545 -5.859 8.160 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 545 -5.481 6.344 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 545 -4.281 6.947 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 545 -5.302 4.432 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 545 -4.804 5.340 2.772 1.00 0.00 H new ATOM 1144 N LYS A 546 -9.797 6.735 1.330 1.00 0.00 N ATOM 1145 CA LYS A 546 -10.897 6.667 0.375 1.00 0.00 C ATOM 1146 C LYS A 546 -10.648 7.597 -0.808 1.00 0.00 C ATOM 1147 O LYS A 546 -11.076 7.319 -1.928 1.00 0.00 O ATOM 1148 CB LYS A 546 -12.216 7.035 1.058 1.00 0.00 C ATOM 1149 CG LYS A 546 -12.349 8.516 1.367 1.00 0.00 C ATOM 1150 CD LYS A 546 -11.747 8.860 2.719 1.00 0.00 C ATOM 1151 CE LYS A 546 -11.854 10.348 3.015 1.00 0.00 C ATOM 1152 NZ LYS A 546 -11.789 10.629 4.476 1.00 0.00 N ATOM 0 H LYS A 546 -10.089 6.842 2.301 1.00 0.00 H new ATOM 0 HA LYS A 546 -10.960 5.644 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 546 -13.044 6.730 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 546 -12.305 6.470 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 546 -11.854 9.097 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 546 -13.402 8.798 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 546 -12.257 8.295 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 546 -10.700 8.558 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 546 -11.048 10.878 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 546 -12.792 10.732 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 546 -11.865 11.654 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 546 -12.573 10.144 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 546 -10.884 10.286 4.856 1.00 0.00 H new ATOM 1166 N GLU A 547 -9.953 8.701 -0.552 1.00 0.00 N ATOM 1167 CA GLU A 547 -9.647 9.670 -1.597 1.00 0.00 C ATOM 1168 C GLU A 547 -8.257 9.426 -2.177 1.00 0.00 C ATOM 1169 O GLU A 547 -7.393 8.814 -1.548 1.00 0.00 O ATOM 1170 CB GLU A 547 -9.738 11.094 -1.045 1.00 0.00 C ATOM 1171 CG GLU A 547 -11.135 11.687 -1.118 1.00 0.00 C ATOM 1172 CD GLU A 547 -11.301 12.901 -0.224 1.00 0.00 C ATOM 1173 OE1 GLU A 547 -11.154 12.756 1.007 1.00 0.00 O ATOM 1174 OE2 GLU A 547 -11.578 13.996 -0.757 1.00 0.00 O ATOM 0 H GLU A 547 -9.592 8.946 0.370 1.00 0.00 H new ATOM 0 HA GLU A 547 -10.380 9.549 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 547 -9.406 11.094 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 547 -9.051 11.734 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 547 -11.353 11.967 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 547 -11.863 10.928 -0.833 1.00 0.00 H new ATOM 1181 N PRO A 548 -8.035 9.914 -3.407 1.00 0.00 N ATOM 1182 CA PRO A 548 -6.752 9.761 -4.099 1.00 0.00 C ATOM 1183 C PRO A 548 -5.646 10.595 -3.461 1.00 0.00 C ATOM 1184 O PRO A 548 -4.467 10.255 -3.557 1.00 0.00 O ATOM 1185 CB PRO A 548 -7.051 10.261 -5.514 1.00 0.00 C ATOM 1186 CG PRO A 548 -8.197 11.198 -5.351 1.00 0.00 C ATOM 1187 CD PRO A 548 -9.019 10.653 -4.215 1.00 0.00 C ATOM 0 HA PRO A 548 -6.389 8.734 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 548 -6.187 10.765 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 548 -7.306 9.436 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 548 -7.848 12.207 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 548 -8.786 11.257 -6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 548 -9.492 11.451 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -9.816 10.001 -4.572 1.00 0.00 H new ATOM 1195 N GLN A 549 -6.035 11.687 -2.811 1.00 0.00 N ATOM 1196 CA GLN A 549 -5.075 12.569 -2.158 1.00 0.00 C ATOM 1197 C GLN A 549 -4.286 11.820 -1.090 1.00 0.00 C ATOM 1198 O GLN A 549 -3.070 11.973 -0.979 1.00 0.00 O ATOM 1199 CB GLN A 549 -5.794 13.766 -1.533 1.00 0.00 C ATOM 1200 CG GLN A 549 -4.873 14.686 -0.748 1.00 0.00 C ATOM 1201 CD GLN A 549 -5.594 15.901 -0.196 1.00 0.00 C ATOM 1202 OE1 GLN A 549 -5.952 15.943 0.981 1.00 0.00 O ATOM 1203 NE2 GLN A 549 -5.811 16.898 -1.046 1.00 0.00 N ATOM 0 H GLN A 549 -7.007 11.982 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 549 -4.377 12.928 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -6.281 14.339 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -6.581 13.402 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -4.425 14.129 0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -4.058 15.014 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -5.497 16.821 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -6.292 17.741 -0.731 1.00 0.00 H new ATOM 1212 N GLY A 550 -4.987 11.008 -0.303 1.00 0.00 N ATOM 1213 CA GLY A 550 -4.335 10.247 0.747 1.00 0.00 C ATOM 1214 C GLY A 550 -3.195 9.397 0.224 1.00 0.00 C ATOM 1215 O GLY A 550 -2.289 9.033 0.974 1.00 0.00 O ATOM 0 H GLY A 550 -5.994 10.864 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 550 -3.955 10.932 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 550 -5.068 9.605 1.235 1.00 0.00 H new ATOM 1219 N ILE A 551 -3.239 9.078 -1.065 1.00 0.00 N ATOM 1220 CA ILE A 551 -2.201 8.265 -1.687 1.00 0.00 C ATOM 1221 C ILE A 551 -0.999 9.115 -2.082 1.00 0.00 C ATOM 1222 O ILE A 551 0.108 8.603 -2.248 1.00 0.00 O ATOM 1223 CB ILE A 551 -2.731 7.534 -2.934 1.00 0.00 C ATOM 1224 CG1 ILE A 551 -3.888 6.606 -2.556 1.00 0.00 C ATOM 1225 CG2 ILE A 551 -1.612 6.749 -3.603 1.00 0.00 C ATOM 1226 CD1 ILE A 551 -5.248 7.259 -2.669 1.00 0.00 C ATOM 0 H ILE A 551 -3.982 9.370 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 551 -1.893 7.527 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.102 8.276 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -3.862 5.726 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -3.745 6.258 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.002 6.238 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -0.817 7.432 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -1.214 6.014 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -6.020 6.543 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -5.293 8.123 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -5.412 7.582 -3.697 1.00 0.00 H new ATOM 1238 N ILE A 552 -1.224 10.417 -2.228 1.00 0.00 N ATOM 1239 CA ILE A 552 -0.159 11.339 -2.600 1.00 0.00 C ATOM 1240 C ILE A 552 0.561 11.874 -1.367 1.00 0.00 C ATOM 1241 O ILE A 552 1.790 11.900 -1.315 1.00 0.00 O ATOM 1242 CB ILE A 552 -0.701 12.524 -3.420 1.00 0.00 C ATOM 1243 CG1 ILE A 552 -1.461 12.018 -4.647 1.00 0.00 C ATOM 1244 CG2 ILE A 552 0.437 13.444 -3.837 1.00 0.00 C ATOM 1245 CD1 ILE A 552 -2.242 13.099 -5.362 1.00 0.00 C ATOM 0 H ILE A 552 -2.135 10.856 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 552 0.545 10.777 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 552 -1.392 13.092 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 552 -0.753 11.571 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 552 -2.147 11.228 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 552 0.038 14.277 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 552 0.939 13.827 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 552 1.150 12.888 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 552 -2.756 12.669 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 552 -2.975 13.530 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 552 -1.559 13.878 -5.700 1.00 0.00 H new ATOM 1257 N ALA A 553 -0.215 12.300 -0.375 1.00 0.00 N ATOM 1258 CA ALA A 553 0.348 12.831 0.860 1.00 0.00 C ATOM 1259 C ALA A 553 1.336 11.849 1.481 1.00 0.00 C ATOM 1260 O ALA A 553 2.323 12.253 2.097 1.00 0.00 O ATOM 1261 CB ALA A 553 -0.763 13.161 1.847 1.00 0.00 C ATOM 0 H ALA A 553 -1.235 12.288 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 553 0.889 13.746 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -0.328 13.557 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -1.428 13.906 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.329 12.257 2.074 1.00 0.00 H new ATOM 1267 N CYS A 554 1.063 10.560 1.316 1.00 0.00 N ATOM 1268 CA CYS A 554 1.928 9.520 1.862 1.00 0.00 C ATOM 1269 C CYS A 554 3.377 9.742 1.442 1.00 0.00 C ATOM 1270 O CYS A 554 4.298 9.575 2.243 1.00 0.00 O ATOM 1271 CB CYS A 554 1.456 8.140 1.399 1.00 0.00 C ATOM 1272 SG CYS A 554 1.926 7.731 -0.298 1.00 0.00 S ATOM 0 H CYS A 554 0.250 10.210 0.809 1.00 0.00 H new ATOM 0 HA CYS A 554 1.872 9.569 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 554 1.864 7.384 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 554 0.371 8.091 1.486 1.00 0.00 H new ATOM 0 HG CYS A 554 1.128 8.336 -1.127 1.00 0.00 H new ATOM 1278 N CYS A 555 3.572 10.118 0.183 1.00 0.00 N ATOM 1279 CA CYS A 555 4.910 10.361 -0.344 1.00 0.00 C ATOM 1280 C CYS A 555 5.277 11.838 -0.238 1.00 0.00 C ATOM 1281 O CYS A 555 4.415 12.710 -0.337 1.00 0.00 O ATOM 1282 CB CYS A 555 4.997 9.905 -1.801 1.00 0.00 C ATOM 1283 SG CYS A 555 6.668 9.469 -2.339 1.00 0.00 S ATOM 0 H CYS A 555 2.821 10.261 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 555 5.618 9.786 0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 555 4.345 9.042 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 555 4.616 10.699 -2.443 1.00 0.00 H new ATOM 0 HG CYS A 555 7.415 10.533 -2.341 1.00 0.00 H new ATOM 1289 N ASN A 556 6.561 12.110 -0.034 1.00 0.00 N ATOM 1290 CA ASN A 556 7.042 13.482 0.088 1.00 0.00 C ATOM 1291 C ASN A 556 8.563 13.536 -0.012 1.00 0.00 C ATOM 1292 O ASN A 556 9.285 13.176 0.918 1.00 0.00 O ATOM 1293 CB ASN A 556 6.585 14.088 1.416 1.00 0.00 C ATOM 1294 CG ASN A 556 6.851 13.169 2.593 1.00 0.00 C ATOM 1295 OD1 ASN A 556 7.506 12.136 2.453 1.00 0.00 O ATOM 1296 ND2 ASN A 556 6.341 13.542 3.761 1.00 0.00 N ATOM 0 H ASN A 556 7.288 11.399 0.050 1.00 0.00 H new ATOM 0 HA ASN A 556 6.621 14.063 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 556 7.099 15.036 1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 556 5.519 14.308 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 556 6.486 12.964 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 556 5.804 14.407 3.830 1.00 0.00 H new ATOM 1303 N PRO A 557 9.064 13.997 -1.168 1.00 0.00 N ATOM 1304 CA PRO A 557 8.215 14.428 -2.283 1.00 0.00 C ATOM 1305 C PRO A 557 7.495 13.260 -2.948 1.00 0.00 C ATOM 1306 O PRO A 557 7.697 12.102 -2.580 1.00 0.00 O ATOM 1307 CB PRO A 557 9.207 15.069 -3.257 1.00 0.00 C ATOM 1308 CG PRO A 557 10.512 14.418 -2.952 1.00 0.00 C ATOM 1309 CD PRO A 557 10.498 14.133 -1.476 1.00 0.00 C ATOM 0 HA PRO A 557 7.423 15.101 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 557 8.912 14.898 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 557 9.260 16.148 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 557 10.633 13.499 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 557 11.344 15.070 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 557 11.048 13.223 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 557 10.956 14.941 -0.906 1.00 0.00 H new ATOM 1317 N VAL A 558 6.653 13.570 -3.929 1.00 0.00 N ATOM 1318 CA VAL A 558 5.904 12.546 -4.646 1.00 0.00 C ATOM 1319 C VAL A 558 6.372 12.435 -6.093 1.00 0.00 C ATOM 1320 O VAL A 558 6.458 13.424 -6.821 1.00 0.00 O ATOM 1321 CB VAL A 558 4.392 12.840 -4.628 1.00 0.00 C ATOM 1322 CG1 VAL A 558 3.640 11.824 -5.473 1.00 0.00 C ATOM 1323 CG2 VAL A 558 3.869 12.850 -3.200 1.00 0.00 C ATOM 0 H VAL A 558 6.473 14.523 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 558 6.089 11.602 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 558 4.226 13.828 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 558 2.574 12.048 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 558 3.997 11.871 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 558 3.810 10.823 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 558 2.799 13.059 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 558 4.046 11.877 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 558 4.386 13.621 -2.628 1.00 0.00 H new ATOM 1333 N PRO A 559 6.681 11.202 -6.522 1.00 0.00 N ATOM 1334 CA PRO A 559 7.144 10.931 -7.886 1.00 0.00 C ATOM 1335 C PRO A 559 6.041 11.121 -8.921 1.00 0.00 C ATOM 1336 O PRO A 559 4.863 11.255 -8.591 1.00 0.00 O ATOM 1337 CB PRO A 559 7.578 9.464 -7.829 1.00 0.00 C ATOM 1338 CG PRO A 559 6.779 8.877 -6.717 1.00 0.00 C ATOM 1339 CD PRO A 559 6.601 9.977 -5.708 1.00 0.00 C ATOM 0 HA PRO A 559 7.938 11.613 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 559 7.378 8.955 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 559 8.647 9.374 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 559 5.815 8.518 -7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 559 7.293 8.023 -6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 559 5.644 9.899 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 559 7.378 9.951 -4.944 1.00 0.00 H new ATOM 1347 N PRO A 560 6.429 11.133 -10.205 1.00 0.00 N ATOM 1348 CA PRO A 560 5.487 11.304 -11.315 1.00 0.00 C ATOM 1349 C PRO A 560 4.580 10.093 -11.498 1.00 0.00 C ATOM 1350 O PRO A 560 3.484 10.202 -12.049 1.00 0.00 O ATOM 1351 CB PRO A 560 6.400 11.477 -12.532 1.00 0.00 C ATOM 1352 CG PRO A 560 7.666 10.788 -12.156 1.00 0.00 C ATOM 1353 CD PRO A 560 7.817 10.978 -10.672 1.00 0.00 C ATOM 0 HA PRO A 560 4.811 12.143 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 560 5.958 11.034 -13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 560 6.573 12.531 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 560 7.625 9.729 -12.411 1.00 0.00 H new ATOM 0 HG3 PRO A 560 8.515 11.212 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 560 8.305 10.123 -10.205 1.00 0.00 H new ATOM 0 HD3 PRO A 560 8.420 11.856 -10.438 1.00 0.00 H new ATOM 1361 N LEU A 561 5.042 8.937 -11.033 1.00 0.00 N ATOM 1362 CA LEU A 561 4.272 7.704 -11.145 1.00 0.00 C ATOM 1363 C LEU A 561 3.064 7.730 -10.213 1.00 0.00 C ATOM 1364 O LEU A 561 1.918 7.707 -10.664 1.00 0.00 O ATOM 1365 CB LEU A 561 5.154 6.497 -10.821 1.00 0.00 C ATOM 1366 CG LEU A 561 6.321 6.243 -11.776 1.00 0.00 C ATOM 1367 CD1 LEU A 561 7.167 5.078 -11.286 1.00 0.00 C ATOM 1368 CD2 LEU A 561 5.809 5.979 -13.184 1.00 0.00 C ATOM 0 H LEU A 561 5.947 8.828 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 561 3.915 7.620 -12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 561 5.555 6.625 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 561 4.525 5.607 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 561 6.947 7.135 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 561 7.993 4.912 -11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 561 7.563 5.307 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 561 6.552 4.179 -11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 561 6.653 5.800 -13.850 1.00 0.00 H new ATOM 0 HD22 LEU A 561 5.160 5.103 -13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 561 5.247 6.844 -13.535 1.00 0.00 H new ATOM 1380 N VAL A 562 3.328 7.780 -8.911 1.00 0.00 N ATOM 1381 CA VAL A 562 2.263 7.813 -7.916 1.00 0.00 C ATOM 1382 C VAL A 562 1.170 8.800 -8.313 1.00 0.00 C ATOM 1383 O VAL A 562 -0.016 8.546 -8.101 1.00 0.00 O ATOM 1384 CB VAL A 562 2.805 8.197 -6.526 1.00 0.00 C ATOM 1385 CG1 VAL A 562 1.667 8.333 -5.528 1.00 0.00 C ATOM 1386 CG2 VAL A 562 3.823 7.171 -6.051 1.00 0.00 C ATOM 0 H VAL A 562 4.270 7.799 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 562 1.842 6.808 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 562 3.305 9.163 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 562 2.069 8.605 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 562 0.978 9.108 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 562 1.136 7.384 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 562 4.196 7.457 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 562 3.350 6.191 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 562 4.653 7.129 -6.756 1.00 0.00 H new ATOM 1396 N ARG A 563 1.578 9.925 -8.890 1.00 0.00 N ATOM 1397 CA ARG A 563 0.634 10.951 -9.316 1.00 0.00 C ATOM 1398 C ARG A 563 0.030 10.604 -10.674 1.00 0.00 C ATOM 1399 O ARG A 563 -1.166 10.785 -10.896 1.00 0.00 O ATOM 1400 CB ARG A 563 1.325 12.314 -9.387 1.00 0.00 C ATOM 1401 CG ARG A 563 0.369 13.470 -9.626 1.00 0.00 C ATOM 1402 CD ARG A 563 -0.169 14.029 -8.318 1.00 0.00 C ATOM 1403 NE ARG A 563 -1.205 15.034 -8.537 1.00 0.00 N ATOM 1404 CZ ARG A 563 -2.456 14.739 -8.875 1.00 0.00 C ATOM 1405 NH1 ARG A 563 -2.823 13.474 -9.030 1.00 0.00 N ATOM 1406 NH2 ARG A 563 -3.342 15.709 -9.056 1.00 0.00 N ATOM 0 H ARG A 563 2.556 10.149 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 563 -0.169 10.997 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 563 1.865 12.487 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 563 2.066 12.295 -10.186 1.00 0.00 H new ATOM 0 HG2 ARG A 563 0.881 14.259 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -0.461 13.134 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -0.574 13.216 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 563 0.649 14.470 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 563 -0.955 16.016 -8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -2.145 12.725 -8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -3.784 13.250 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -3.064 16.683 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -4.302 15.481 -9.315 1.00 0.00 H new ATOM 1420 N GLN A 564 0.868 10.105 -11.578 1.00 0.00 N ATOM 1421 CA GLN A 564 0.417 9.735 -12.914 1.00 0.00 C ATOM 1422 C GLN A 564 -0.671 8.668 -12.845 1.00 0.00 C ATOM 1423 O GLN A 564 -1.772 8.857 -13.360 1.00 0.00 O ATOM 1424 CB GLN A 564 1.593 9.227 -13.750 1.00 0.00 C ATOM 1425 CG GLN A 564 1.181 8.658 -15.098 1.00 0.00 C ATOM 1426 CD GLN A 564 2.309 8.682 -16.111 1.00 0.00 C ATOM 1427 OE1 GLN A 564 2.243 9.393 -17.114 1.00 0.00 O ATOM 1428 NE2 GLN A 564 3.353 7.903 -15.853 1.00 0.00 N ATOM 0 H GLN A 564 1.862 9.948 -11.409 1.00 0.00 H new ATOM 0 HA GLN A 564 0.000 10.623 -13.388 1.00 0.00 H new ATOM 0 HB2 GLN A 564 2.295 10.046 -13.910 1.00 0.00 H new ATOM 0 HB3 GLN A 564 2.123 8.458 -13.187 1.00 0.00 H new ATOM 0 HG2 GLN A 564 0.838 7.632 -14.966 1.00 0.00 H new ATOM 0 HG3 GLN A 564 0.337 9.228 -15.486 1.00 0.00 H new ATOM 0 HE21 GLN A 564 3.366 7.330 -15.009 1.00 0.00 H new ATOM 0 HE22 GLN A 564 4.142 7.878 -16.498 1.00 0.00 H new ATOM 1437 N GLN A 565 -0.353 7.546 -12.206 1.00 0.00 N ATOM 1438 CA GLN A 565 -1.304 6.449 -12.071 1.00 0.00 C ATOM 1439 C GLN A 565 -2.084 6.562 -10.765 1.00 0.00 C ATOM 1440 O GLN A 565 -2.596 5.569 -10.249 1.00 0.00 O ATOM 1441 CB GLN A 565 -0.575 5.105 -12.128 1.00 0.00 C ATOM 1442 CG GLN A 565 0.318 4.949 -13.348 1.00 0.00 C ATOM 1443 CD GLN A 565 -0.431 4.421 -14.556 1.00 0.00 C ATOM 1444 OE1 GLN A 565 -0.838 5.185 -15.432 1.00 0.00 O ATOM 1445 NE2 GLN A 565 -0.617 3.107 -14.610 1.00 0.00 N ATOM 0 H GLN A 565 0.555 7.373 -11.774 1.00 0.00 H new ATOM 0 HA GLN A 565 -2.009 6.508 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 565 0.030 4.991 -11.228 1.00 0.00 H new ATOM 0 HB3 GLN A 565 -1.311 4.301 -12.122 1.00 0.00 H new ATOM 0 HG2 GLN A 565 0.762 5.913 -13.594 1.00 0.00 H new ATOM 0 HG3 GLN A 565 1.138 4.272 -13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 565 -0.263 2.511 -13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 565 -1.114 2.694 -15.399 1.00 0.00 H new ATOM 1454 N ILE A 566 -2.170 7.778 -10.237 1.00 0.00 N ATOM 1455 CA ILE A 566 -2.889 8.020 -8.992 1.00 0.00 C ATOM 1456 C ILE A 566 -4.311 7.475 -9.063 1.00 0.00 C ATOM 1457 O ILE A 566 -4.810 6.889 -8.104 1.00 0.00 O ATOM 1458 CB ILE A 566 -2.943 9.523 -8.656 1.00 0.00 C ATOM 1459 CG1 ILE A 566 -3.623 9.741 -7.303 1.00 0.00 C ATOM 1460 CG2 ILE A 566 -3.675 10.284 -9.752 1.00 0.00 C ATOM 1461 CD1 ILE A 566 -3.028 8.910 -6.187 1.00 0.00 C ATOM 0 H ILE A 566 -1.751 8.611 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 566 -2.342 7.499 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 566 -1.924 9.904 -8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 566 -3.554 10.796 -7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 566 -4.683 9.505 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 566 -3.705 11.344 -9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 566 -3.152 10.150 -10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 566 -4.692 9.903 -9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 566 -3.559 9.116 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 566 -3.121 7.852 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 566 -1.975 9.163 -6.067 1.00 0.00 H new ATOM 1473 N ASN A 567 -4.957 7.672 -10.208 1.00 0.00 N ATOM 1474 CA ASN A 567 -6.323 7.198 -10.405 1.00 0.00 C ATOM 1475 C ASN A 567 -6.431 5.707 -10.101 1.00 0.00 C ATOM 1476 O ASN A 567 -7.305 5.280 -9.347 1.00 0.00 O ATOM 1477 CB ASN A 567 -6.776 7.471 -11.841 1.00 0.00 C ATOM 1478 CG ASN A 567 -6.546 8.911 -12.256 1.00 0.00 C ATOM 1479 OD1 ASN A 567 -6.219 9.763 -11.429 1.00 0.00 O ATOM 1480 ND2 ASN A 567 -6.716 9.190 -13.543 1.00 0.00 N ATOM 0 H ASN A 567 -4.558 8.156 -11.012 1.00 0.00 H new ATOM 0 HA ASN A 567 -6.972 7.739 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -6.238 6.810 -12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -7.835 7.233 -11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.575 10.142 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -6.987 8.452 -14.193 1.00 0.00 H new ATOM 1487 N GLU A 568 -5.536 4.922 -10.692 1.00 0.00 N ATOM 1488 CA GLU A 568 -5.532 3.478 -10.483 1.00 0.00 C ATOM 1489 C GLU A 568 -5.365 3.143 -9.004 1.00 0.00 C ATOM 1490 O GLU A 568 -6.164 2.403 -8.431 1.00 0.00 O ATOM 1491 CB GLU A 568 -4.410 2.827 -11.295 1.00 0.00 C ATOM 1492 CG GLU A 568 -4.551 1.320 -11.427 1.00 0.00 C ATOM 1493 CD GLU A 568 -5.908 0.905 -11.961 1.00 0.00 C ATOM 1494 OE1 GLU A 568 -6.180 1.164 -13.152 1.00 0.00 O ATOM 1495 OE2 GLU A 568 -6.697 0.321 -11.190 1.00 0.00 O ATOM 0 H GLU A 568 -4.805 5.260 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 568 -6.491 3.084 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -4.389 3.270 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -3.453 3.054 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -3.773 0.943 -12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -4.391 0.857 -10.453 1.00 0.00 H new ATOM 1502 N MET A 569 -4.321 3.693 -8.393 1.00 0.00 N ATOM 1503 CA MET A 569 -4.049 3.452 -6.980 1.00 0.00 C ATOM 1504 C MET A 569 -5.295 3.700 -6.137 1.00 0.00 C ATOM 1505 O MET A 569 -5.704 2.845 -5.350 1.00 0.00 O ATOM 1506 CB MET A 569 -2.907 4.350 -6.499 1.00 0.00 C ATOM 1507 CG MET A 569 -1.639 4.217 -7.328 1.00 0.00 C ATOM 1508 SD MET A 569 -0.211 4.986 -6.540 1.00 0.00 S ATOM 1509 CE MET A 569 0.253 3.715 -5.366 1.00 0.00 C ATOM 0 H MET A 569 -3.650 4.308 -8.853 1.00 0.00 H new ATOM 0 HA MET A 569 -3.755 2.409 -6.864 1.00 0.00 H new ATOM 0 HB2 MET A 569 -3.238 5.388 -6.521 1.00 0.00 H new ATOM 0 HB3 MET A 569 -2.679 4.110 -5.461 1.00 0.00 H new ATOM 0 HG2 MET A 569 -1.430 3.161 -7.499 1.00 0.00 H new ATOM 0 HG3 MET A 569 -1.799 4.672 -8.305 1.00 0.00 H new ATOM 0 HE1 MET A 569 1.333 3.729 -5.222 1.00 0.00 H new ATOM 0 HE2 MET A 569 -0.242 3.902 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 569 -0.050 2.740 -5.747 1.00 0.00 H new ATOM 1519 N HIS A 570 -5.895 4.874 -6.306 1.00 0.00 N ATOM 1520 CA HIS A 570 -7.096 5.233 -5.560 1.00 0.00 C ATOM 1521 C HIS A 570 -8.140 4.124 -5.644 1.00 0.00 C ATOM 1522 O HIS A 570 -8.676 3.682 -4.627 1.00 0.00 O ATOM 1523 CB HIS A 570 -7.681 6.541 -6.093 1.00 0.00 C ATOM 1524 CG HIS A 570 -9.055 6.838 -5.576 1.00 0.00 C ATOM 1525 ND1 HIS A 570 -10.014 7.493 -6.319 1.00 0.00 N ATOM 1526 CD2 HIS A 570 -9.630 6.563 -4.381 1.00 0.00 C ATOM 1527 CE1 HIS A 570 -11.119 7.610 -5.604 1.00 0.00 C ATOM 1528 NE2 HIS A 570 -10.912 7.053 -4.424 1.00 0.00 N ATOM 0 H HIS A 570 -5.569 5.593 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 570 -6.818 5.367 -4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 570 -7.016 7.362 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 570 -7.713 6.498 -7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 570 -9.167 6.053 -3.549 1.00 0.00 H new ATOM 0 HE1 HIS A 570 -12.035 8.081 -5.929 1.00 0.00 H new ATOM 0 HE2 HIS A 570 -11.594 6.996 -3.668 1.00 0.00 H new ATOM 1536 N LEU A 571 -8.425 3.678 -6.863 1.00 0.00 N ATOM 1537 CA LEU A 571 -9.406 2.620 -7.080 1.00 0.00 C ATOM 1538 C LEU A 571 -9.098 1.404 -6.212 1.00 0.00 C ATOM 1539 O LEU A 571 -9.992 0.830 -5.589 1.00 0.00 O ATOM 1540 CB LEU A 571 -9.430 2.215 -8.555 1.00 0.00 C ATOM 1541 CG LEU A 571 -9.951 3.269 -9.532 1.00 0.00 C ATOM 1542 CD1 LEU A 571 -9.628 2.875 -10.965 1.00 0.00 C ATOM 1543 CD2 LEU A 571 -11.449 3.465 -9.356 1.00 0.00 C ATOM 0 H LEU A 571 -7.991 4.032 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 571 -10.386 3.005 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 571 -8.418 1.942 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 571 -10.044 1.320 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 571 -9.453 4.214 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 571 -10.007 3.637 -11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 571 -8.548 2.787 -11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 571 -10.098 1.918 -11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 571 -11.802 4.219 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 571 -11.964 2.523 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 571 -11.656 3.794 -8.338 1.00 0.00 H new ATOM 1555 N LEU A 572 -7.827 1.018 -6.174 1.00 0.00 N ATOM 1556 CA LEU A 572 -7.400 -0.128 -5.380 1.00 0.00 C ATOM 1557 C LEU A 572 -7.790 0.047 -3.916 1.00 0.00 C ATOM 1558 O LEU A 572 -8.342 -0.863 -3.297 1.00 0.00 O ATOM 1559 CB LEU A 572 -5.886 -0.319 -5.497 1.00 0.00 C ATOM 1560 CG LEU A 572 -5.329 -0.407 -6.918 1.00 0.00 C ATOM 1561 CD1 LEU A 572 -3.809 -0.450 -6.893 1.00 0.00 C ATOM 1562 CD2 LEU A 572 -5.887 -1.628 -7.635 1.00 0.00 C ATOM 0 H LEU A 572 -7.075 1.482 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 572 -7.903 -1.014 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 572 -5.395 0.509 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 572 -5.612 -1.229 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 572 -5.638 0.484 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 572 -3.430 -0.513 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 572 -3.427 0.454 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 572 -3.479 -1.322 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 572 -5.480 -1.675 -8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 572 -5.608 -2.529 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 572 -6.973 -1.556 -7.685 1.00 0.00 H new ATOM 1574 N ILE A 573 -7.502 1.223 -3.369 1.00 0.00 N ATOM 1575 CA ILE A 573 -7.826 1.519 -1.979 1.00 0.00 C ATOM 1576 C ILE A 573 -9.309 1.296 -1.701 1.00 0.00 C ATOM 1577 O ILE A 573 -9.676 0.677 -0.703 1.00 0.00 O ATOM 1578 CB ILE A 573 -7.459 2.969 -1.611 1.00 0.00 C ATOM 1579 CG1 ILE A 573 -5.977 3.228 -1.888 1.00 0.00 C ATOM 1580 CG2 ILE A 573 -7.787 3.244 -0.152 1.00 0.00 C ATOM 1581 CD1 ILE A 573 -5.050 2.285 -1.153 1.00 0.00 C ATOM 0 H ILE A 573 -7.045 1.987 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 573 -7.237 0.837 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 573 -8.049 3.646 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -5.796 3.141 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -5.737 4.253 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.522 4.273 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.854 3.094 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.221 2.563 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -4.016 2.528 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -5.203 2.388 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.262 1.259 -1.453 1.00 0.00 H new ATOM 1593 N GLN A 574 -10.155 1.803 -2.591 1.00 0.00 N ATOM 1594 CA GLN A 574 -11.598 1.658 -2.442 1.00 0.00 C ATOM 1595 C GLN A 574 -12.000 0.187 -2.442 1.00 0.00 C ATOM 1596 O GLN A 574 -12.843 -0.235 -1.650 1.00 0.00 O ATOM 1597 CB GLN A 574 -12.326 2.398 -3.566 1.00 0.00 C ATOM 1598 CG GLN A 574 -12.013 3.884 -3.618 1.00 0.00 C ATOM 1599 CD GLN A 574 -12.876 4.696 -2.672 1.00 0.00 C ATOM 1600 OE1 GLN A 574 -13.785 5.409 -3.099 1.00 0.00 O ATOM 1601 NE2 GLN A 574 -12.595 4.592 -1.378 1.00 0.00 N ATOM 0 H GLN A 574 -9.866 2.318 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 574 -11.884 2.094 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 574 -12.058 1.945 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 574 -13.401 2.266 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 574 -10.963 4.039 -3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 574 -12.157 4.246 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 574 -11.833 3.989 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 574 -13.142 5.115 -0.694 1.00 0.00 H new ATOM 1610 N GLN A 575 -11.392 -0.588 -3.334 1.00 0.00 N ATOM 1611 CA GLN A 575 -11.689 -2.012 -3.437 1.00 0.00 C ATOM 1612 C GLN A 575 -11.470 -2.711 -2.100 1.00 0.00 C ATOM 1613 O GLN A 575 -12.303 -3.501 -1.658 1.00 0.00 O ATOM 1614 CB GLN A 575 -10.816 -2.659 -4.514 1.00 0.00 C ATOM 1615 CG GLN A 575 -11.159 -2.212 -5.926 1.00 0.00 C ATOM 1616 CD GLN A 575 -10.656 -3.176 -6.982 1.00 0.00 C ATOM 1617 OE1 GLN A 575 -11.353 -4.117 -7.363 1.00 0.00 O ATOM 1618 NE2 GLN A 575 -9.439 -2.947 -7.462 1.00 0.00 N ATOM 0 H GLN A 575 -10.691 -0.254 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 575 -12.737 -2.121 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -9.771 -2.425 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -10.918 -3.742 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -12.240 -2.110 -6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -10.730 -1.226 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.896 -2.155 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.048 -3.563 -8.175 1.00 0.00 H new ATOM 1627 N ALA A 576 -10.343 -2.416 -1.461 1.00 0.00 N ATOM 1628 CA ALA A 576 -10.015 -3.015 -0.173 1.00 0.00 C ATOM 1629 C ALA A 576 -11.062 -2.662 0.879 1.00 0.00 C ATOM 1630 O ALA A 576 -11.324 -3.443 1.793 1.00 0.00 O ATOM 1631 CB ALA A 576 -8.635 -2.567 0.282 1.00 0.00 C ATOM 0 H ALA A 576 -9.641 -1.765 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 576 -10.011 -4.098 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 576 -8.404 -3.022 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 576 -7.892 -2.876 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 576 -8.619 -1.482 0.381 1.00 0.00 H new ATOM 1637 N ARG A 577 -11.655 -1.481 0.743 1.00 0.00 N ATOM 1638 CA ARG A 577 -12.672 -1.024 1.683 1.00 0.00 C ATOM 1639 C ARG A 577 -14.035 -1.618 1.341 1.00 0.00 C ATOM 1640 O ARG A 577 -14.862 -1.845 2.223 1.00 0.00 O ATOM 1641 CB ARG A 577 -12.753 0.504 1.677 1.00 0.00 C ATOM 1642 CG ARG A 577 -11.494 1.183 2.190 1.00 0.00 C ATOM 1643 CD ARG A 577 -11.559 2.691 2.003 1.00 0.00 C ATOM 1644 NE ARG A 577 -12.637 3.293 2.783 1.00 0.00 N ATOM 1645 CZ ARG A 577 -12.518 3.633 4.061 1.00 0.00 C ATOM 1646 NH1 ARG A 577 -11.374 3.431 4.701 1.00 0.00 N ATOM 1647 NH2 ARG A 577 -13.545 4.176 4.703 1.00 0.00 N ATOM 0 H ARG A 577 -11.449 -0.823 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 577 -12.388 -1.362 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 577 -12.951 0.845 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 577 -13.599 0.817 2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 577 -11.359 0.952 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 577 -10.625 0.787 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 577 -10.608 3.134 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 577 -11.704 2.919 0.947 1.00 0.00 H new ATOM 0 HE ARG A 577 -13.530 3.462 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 577 -10.583 3.013 4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 577 -11.286 3.693 5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 577 -14.427 4.332 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 577 -13.453 4.437 5.685 1.00 0.00 H new ATOM 1661 N GLU A 578 -14.260 -1.867 0.055 1.00 0.00 N ATOM 1662 CA GLU A 578 -15.524 -2.434 -0.403 1.00 0.00 C ATOM 1663 C GLU A 578 -15.942 -3.610 0.475 1.00 0.00 C ATOM 1664 O GLU A 578 -17.095 -3.706 0.894 1.00 0.00 O ATOM 1665 CB GLU A 578 -15.408 -2.886 -1.860 1.00 0.00 C ATOM 1666 CG GLU A 578 -15.425 -1.739 -2.856 1.00 0.00 C ATOM 1667 CD GLU A 578 -15.521 -2.215 -4.292 1.00 0.00 C ATOM 1668 OE1 GLU A 578 -15.221 -3.400 -4.547 1.00 0.00 O ATOM 1669 OE2 GLU A 578 -15.898 -1.402 -5.162 1.00 0.00 O ATOM 0 H GLU A 578 -13.585 -1.686 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 578 -16.288 -1.660 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -14.484 -3.450 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -16.229 -3.566 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -16.269 -1.085 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -14.520 -1.144 -2.734 1.00 0.00 H new ATOM 1676 N MET A 579 -14.996 -4.503 0.748 1.00 0.00 N ATOM 1677 CA MET A 579 -15.266 -5.673 1.575 1.00 0.00 C ATOM 1678 C MET A 579 -15.330 -5.292 3.051 1.00 0.00 C ATOM 1679 O MET A 579 -14.581 -4.441 3.530 1.00 0.00 O ATOM 1680 CB MET A 579 -14.188 -6.737 1.358 1.00 0.00 C ATOM 1681 CG MET A 579 -12.781 -6.246 1.653 1.00 0.00 C ATOM 1682 SD MET A 579 -12.320 -6.458 3.384 1.00 0.00 S ATOM 1683 CE MET A 579 -12.568 -8.220 3.587 1.00 0.00 C ATOM 0 H MET A 579 -14.036 -4.439 0.409 1.00 0.00 H new ATOM 0 HA MET A 579 -16.233 -6.080 1.280 1.00 0.00 H new ATOM 0 HB2 MET A 579 -14.404 -7.596 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 579 -14.234 -7.084 0.326 1.00 0.00 H new ATOM 0 HG2 MET A 579 -12.073 -6.785 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 579 -12.705 -5.192 1.387 1.00 0.00 H new ATOM 0 HE1 MET A 579 -13.247 -8.398 4.421 1.00 0.00 H new ATOM 0 HE2 MET A 579 -12.997 -8.635 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 579 -11.611 -8.701 3.789 1.00 0.00 H new