USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 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 Single : A 494 THR OG1 : rot 48:sc=0.000683 USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 LYS NZ :NH3+ -156:sc= -0.0308 (180deg=-0.307) USER MOD Single : A 504 THR OG1 : rot 91:sc= -1.47! USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 507 LYS NZ :NH3+ -107:sc= -8.13! (180deg=-13.2!) USER MOD Single : A 511 SER OG : rot 180:sc= -0.568 USER MOD Single : A 517 SER OG : rot 163:sc= -9.95! USER MOD Single : A 518 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0521) USER MOD Single : A 519 SER OG : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0506 F(o=-0.82,f=-0.051) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.59 F(o=-4!,f=-1.6) USER MOD Single : A 528 ASN :FLIP amide:sc= -1.97! C(o=-4.4!,f=-2!) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot 104:sc= 0.443 USER MOD Single : A 552 THR OG1 : rot -110:sc= -3.1! USER MOD Single : A 554 THR OG1 : rot -90:sc= -0.758 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 ASN : amide:sc= -3.89 K(o=-3.9,f=-14!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -122:sc= 0.0503 (180deg=-0.0169) USER MOD Single : A 564 THR OG1 : rot 158:sc= -0.302 USER MOD Single : A 565 GLN :FLIP amide:sc= -0.418 F(o=-1.7,f=-0.42) USER MOD Single : A 577 LYS NZ :NH3+ 144:sc= -0.0149 (180deg=-0.243) USER MOD Single : A 580 LYS NZ :NH3+ 171:sc= -1.08 (180deg=-1.46) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 MET CE :methyl 174:sc= -3.45! (180deg=-3.5!) USER MOD Single : A 584 LYS NZ :NH3+ 152:sc= -6.05! (180deg=-8.09!) USER MOD Single : A 587 SER OG : rot -76:sc= 1.1 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.497 8.469 0.992 1.00 0.00 N ATOM 524 CA ALA A 491 -1.399 8.116 2.082 1.00 0.00 C ATOM 525 C ALA A 491 -0.777 7.038 2.965 1.00 0.00 C ATOM 526 O ALA A 491 -0.215 6.067 2.461 1.00 0.00 O ATOM 527 CB ALA A 491 -2.736 7.660 1.521 1.00 0.00 C ATOM 0 HA ALA A 491 -1.568 8.997 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.404 7.398 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.179 8.466 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.585 6.789 0.884 1.00 0.00 H new ATOM 533 N ARG A 492 -0.879 7.207 4.281 1.00 0.00 N ATOM 534 CA ARG A 492 -0.325 6.241 5.221 1.00 0.00 C ATOM 535 C ARG A 492 -1.294 5.938 6.362 1.00 0.00 C ATOM 536 O ARG A 492 -1.872 6.846 6.961 1.00 0.00 O ATOM 537 CB ARG A 492 1.000 6.771 5.785 1.00 0.00 C ATOM 538 CG ARG A 492 1.554 5.963 6.953 1.00 0.00 C ATOM 539 CD ARG A 492 2.658 5.020 6.508 1.00 0.00 C ATOM 540 NE ARG A 492 3.799 5.046 7.420 1.00 0.00 N ATOM 541 CZ ARG A 492 4.704 6.022 7.447 1.00 0.00 C ATOM 542 NH1 ARG A 492 4.605 7.052 6.616 1.00 0.00 N ATOM 543 NH2 ARG A 492 5.710 5.968 8.309 1.00 0.00 N ATOM 0 H ARG A 492 -1.340 8.004 4.719 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.151 5.310 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.741 6.787 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.857 7.802 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.939 6.641 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.749 5.390 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 492 2.265 4.005 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.988 5.295 5.506 1.00 0.00 H new ATOM 0 HE ARG A 492 3.909 4.271 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 492 3.832 7.099 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 492 5.302 7.797 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 492 5.790 5.179 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 492 6.404 6.715 8.330 1.00 0.00 H new ATOM 557 N VAL A 493 -1.431 4.659 6.680 1.00 0.00 N ATOM 558 CA VAL A 493 -2.285 4.224 7.778 1.00 0.00 C ATOM 559 C VAL A 493 -1.579 3.171 8.645 1.00 0.00 C ATOM 560 O VAL A 493 -0.599 2.558 8.210 1.00 0.00 O ATOM 561 CB VAL A 493 -3.610 3.644 7.261 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.486 3.169 8.409 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.339 4.676 6.416 1.00 0.00 C ATOM 0 H VAL A 493 -0.959 3.899 6.190 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.496 5.105 8.384 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.385 2.779 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.417 2.764 8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -3.963 2.395 8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.707 4.008 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.277 4.254 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.547 5.559 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.716 4.956 5.566 1.00 0.00 H new ATOM 573 N THR A 494 -2.087 2.939 9.859 1.00 0.00 N ATOM 574 CA THR A 494 -1.498 1.928 10.736 1.00 0.00 C ATOM 575 C THR A 494 -2.534 0.874 11.138 1.00 0.00 C ATOM 576 O THR A 494 -3.663 1.199 11.507 1.00 0.00 O ATOM 577 CB THR A 494 -0.912 2.587 11.986 1.00 0.00 C ATOM 578 OG1 THR A 494 -0.409 1.610 12.880 1.00 0.00 O ATOM 579 CG2 THR A 494 -1.916 3.429 12.744 1.00 0.00 C ATOM 0 H THR A 494 -2.891 3.429 10.250 1.00 0.00 H new ATOM 0 HA THR A 494 -0.700 1.430 10.186 1.00 0.00 H new ATOM 0 HB THR A 494 -0.116 3.237 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 494 0.145 0.969 12.387 1.00 0.00 H new ATOM 0 HG21 THR A 494 -1.436 3.868 13.619 1.00 0.00 H new ATOM 0 HG22 THR A 494 -2.287 4.224 12.097 1.00 0.00 H new ATOM 0 HG23 THR A 494 -2.749 2.803 13.063 1.00 0.00 H new ATOM 587 N LEU A 495 -2.122 -0.390 11.067 1.00 0.00 N ATOM 588 CA LEU A 495 -2.971 -1.526 11.420 1.00 0.00 C ATOM 589 C LEU A 495 -2.193 -2.528 12.272 1.00 0.00 C ATOM 590 O LEU A 495 -0.967 -2.478 12.319 1.00 0.00 O ATOM 591 CB LEU A 495 -3.532 -2.194 10.152 1.00 0.00 C ATOM 592 CG LEU A 495 -2.819 -3.474 9.679 1.00 0.00 C ATOM 593 CD1 LEU A 495 -3.821 -4.601 9.480 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.052 -3.213 8.393 1.00 0.00 C ATOM 0 H LEU A 495 -1.186 -0.656 10.762 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.813 -1.163 12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.581 -2.432 10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.502 -1.467 9.341 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.109 -3.776 10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.299 -5.497 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.329 -4.807 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.555 -4.307 8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.555 -4.129 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.744 -2.886 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.307 -2.436 8.565 1.00 0.00 H new ATOM 606 N PRO A 496 -2.880 -3.465 12.947 1.00 0.00 N ATOM 607 CA PRO A 496 -2.205 -4.481 13.759 1.00 0.00 C ATOM 608 C PRO A 496 -1.391 -5.436 12.876 1.00 0.00 C ATOM 609 O PRO A 496 -1.939 -6.099 11.996 1.00 0.00 O ATOM 610 CB PRO A 496 -3.356 -5.231 14.446 1.00 0.00 C ATOM 611 CG PRO A 496 -4.573 -4.390 14.230 1.00 0.00 C ATOM 612 CD PRO A 496 -4.337 -3.631 12.955 1.00 0.00 C ATOM 0 HA PRO A 496 -1.499 -4.048 14.468 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.486 -6.225 14.018 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.156 -5.365 15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.466 -5.010 14.154 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.728 -3.708 15.066 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.687 -4.184 12.083 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.854 -2.672 12.953 1.00 0.00 H new ATOM 620 N LYS A 497 -0.080 -5.479 13.101 1.00 0.00 N ATOM 621 CA LYS A 497 0.827 -6.323 12.317 1.00 0.00 C ATOM 622 C LYS A 497 0.404 -7.792 12.281 1.00 0.00 C ATOM 623 O LYS A 497 0.711 -8.510 11.330 1.00 0.00 O ATOM 624 CB LYS A 497 2.242 -6.230 12.890 1.00 0.00 C ATOM 625 CG LYS A 497 3.293 -6.909 12.026 1.00 0.00 C ATOM 626 CD LYS A 497 3.596 -8.315 12.519 1.00 0.00 C ATOM 627 CE LYS A 497 5.076 -8.639 12.400 1.00 0.00 C ATOM 628 NZ LYS A 497 5.395 -9.986 12.949 1.00 0.00 N ATOM 0 H LYS A 497 0.385 -4.934 13.827 1.00 0.00 H new ATOM 0 HA LYS A 497 0.792 -5.949 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.507 -5.180 13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.254 -6.680 13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 497 2.945 -6.951 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.207 -6.316 12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 497 3.283 -8.413 13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 497 3.017 -9.037 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 497 5.375 -8.594 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 497 5.657 -7.884 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 6.414 -10.169 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 5.134 -10.022 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 4.860 -10.709 12.427 1.00 0.00 H new ATOM 642 N SER A 498 -0.249 -8.247 13.338 1.00 0.00 N ATOM 643 CA SER A 498 -0.652 -9.653 13.446 1.00 0.00 C ATOM 644 C SER A 498 -1.590 -10.121 12.325 1.00 0.00 C ATOM 645 O SER A 498 -1.374 -11.182 11.742 1.00 0.00 O ATOM 646 CB SER A 498 -1.320 -9.894 14.800 1.00 0.00 C ATOM 647 OG SER A 498 -0.927 -11.140 15.349 1.00 0.00 O ATOM 0 H SER A 498 -0.514 -7.670 14.136 1.00 0.00 H new ATOM 0 HA SER A 498 0.262 -10.239 13.350 1.00 0.00 H new ATOM 0 HB2 SER A 498 -1.055 -9.091 15.488 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.404 -9.870 14.684 1.00 0.00 H new ATOM 0 HG SER A 498 -1.367 -11.269 16.215 1.00 0.00 H new ATOM 653 N LEU A 499 -2.639 -9.355 12.044 1.00 0.00 N ATOM 654 CA LEU A 499 -3.606 -9.739 11.012 1.00 0.00 C ATOM 655 C LEU A 499 -3.058 -9.569 9.593 1.00 0.00 C ATOM 656 O LEU A 499 -3.692 -9.988 8.624 1.00 0.00 O ATOM 657 CB LEU A 499 -4.884 -8.918 11.170 1.00 0.00 C ATOM 658 CG LEU A 499 -4.745 -7.445 10.790 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.305 -7.202 9.396 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.443 -6.559 11.810 1.00 0.00 C ATOM 0 H LEU A 499 -2.844 -8.471 12.510 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.817 -10.799 11.151 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.666 -9.366 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -5.216 -8.983 12.206 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.686 -7.189 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -5.199 -6.148 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.758 -7.808 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.360 -7.476 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.332 -5.514 11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.502 -6.814 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.996 -6.713 12.792 1.00 0.00 H new ATOM 672 N VAL A 500 -1.895 -8.945 9.470 1.00 0.00 N ATOM 673 CA VAL A 500 -1.283 -8.713 8.168 1.00 0.00 C ATOM 674 C VAL A 500 -0.666 -9.983 7.595 1.00 0.00 C ATOM 675 O VAL A 500 -0.496 -10.119 6.384 1.00 0.00 O ATOM 676 CB VAL A 500 -0.200 -7.628 8.258 1.00 0.00 C ATOM 677 CG1 VAL A 500 0.345 -7.306 6.880 1.00 0.00 C ATOM 678 CG2 VAL A 500 -0.751 -6.382 8.931 1.00 0.00 C ATOM 0 H VAL A 500 -1.354 -8.589 10.258 1.00 0.00 H new ATOM 0 HA VAL A 500 -2.080 -8.382 7.502 1.00 0.00 H new ATOM 0 HB VAL A 500 0.622 -8.006 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.111 -6.535 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.780 -8.204 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.464 -6.947 6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.030 -5.623 8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.591 -5.997 8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -1.088 -6.631 9.937 1.00 0.00 H new ATOM 688 N TYR A 501 -0.307 -10.885 8.487 1.00 0.00 N ATOM 689 CA TYR A 501 0.334 -12.145 8.136 1.00 0.00 C ATOM 690 C TYR A 501 -0.426 -12.961 7.080 1.00 0.00 C ATOM 691 O TYR A 501 0.172 -13.784 6.399 1.00 0.00 O ATOM 692 CB TYR A 501 0.543 -12.990 9.397 1.00 0.00 C ATOM 693 CG TYR A 501 -0.636 -13.868 9.743 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.893 -13.319 9.953 1.00 0.00 C ATOM 695 CD2 TYR A 501 -0.493 -15.243 9.850 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.976 -14.117 10.262 1.00 0.00 C ATOM 697 CE2 TYR A 501 -1.571 -16.050 10.158 1.00 0.00 C ATOM 698 CZ TYR A 501 -2.810 -15.482 10.363 1.00 0.00 C ATOM 699 OH TYR A 501 -3.888 -16.282 10.671 1.00 0.00 O ATOM 0 H TYR A 501 -0.452 -10.766 9.490 1.00 0.00 H new ATOM 0 HA TYR A 501 1.291 -11.884 7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 501 1.424 -13.617 9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 501 0.750 -12.327 10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -2.026 -12.250 9.873 1.00 0.00 H new ATOM 0 HD2 TYR A 501 0.477 -15.690 9.690 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -3.948 -13.675 10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -1.444 -17.120 10.238 1.00 0.00 H new ATOM 0 HH TYR A 501 -3.602 -17.219 10.703 1.00 0.00 H new ATOM 709 N ASP A 502 -1.745 -12.824 7.013 1.00 0.00 N ATOM 710 CA ASP A 502 -2.535 -13.652 6.088 1.00 0.00 C ATOM 711 C ASP A 502 -2.453 -13.251 4.599 1.00 0.00 C ATOM 712 O ASP A 502 -2.213 -14.114 3.756 1.00 0.00 O ATOM 713 CB ASP A 502 -4.000 -13.646 6.525 1.00 0.00 C ATOM 714 CG ASP A 502 -4.660 -15.000 6.358 1.00 0.00 C ATOM 715 OD1 ASP A 502 -4.162 -15.981 6.951 1.00 0.00 O ATOM 716 OD2 ASP A 502 -5.675 -15.082 5.634 1.00 0.00 O ATOM 0 H ASP A 502 -2.287 -12.165 7.571 1.00 0.00 H new ATOM 0 HA ASP A 502 -2.092 -14.646 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -4.063 -13.341 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -4.547 -12.904 5.943 1.00 0.00 H new ATOM 721 N LYS A 503 -2.654 -11.974 4.255 1.00 0.00 N ATOM 722 CA LYS A 503 -2.598 -11.556 2.858 1.00 0.00 C ATOM 723 C LYS A 503 -1.508 -10.519 2.620 1.00 0.00 C ATOM 724 O LYS A 503 -1.338 -9.579 3.393 1.00 0.00 O ATOM 725 CB LYS A 503 -3.956 -11.023 2.400 1.00 0.00 C ATOM 726 CG LYS A 503 -4.677 -11.950 1.435 1.00 0.00 C ATOM 727 CD LYS A 503 -5.475 -13.012 2.174 1.00 0.00 C ATOM 728 CE LYS A 503 -6.773 -13.337 1.454 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.729 -12.196 1.490 1.00 0.00 N ATOM 0 H LYS A 503 -2.854 -11.225 4.917 1.00 0.00 H new ATOM 0 HA LYS A 503 -2.348 -12.435 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.587 -10.859 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.815 -10.053 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -5.345 -11.368 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.951 -12.430 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -4.875 -13.917 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -5.695 -12.666 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.558 -13.598 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -7.234 -14.211 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -8.699 -12.552 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -7.649 -11.704 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.508 -11.533 0.719 1.00 0.00 H new ATOM 743 N THR A 504 -0.759 -10.708 1.554 1.00 0.00 N ATOM 744 CA THR A 504 0.321 -9.785 1.217 1.00 0.00 C ATOM 745 C THR A 504 -0.181 -8.436 0.670 1.00 0.00 C ATOM 746 O THR A 504 -0.168 -7.427 1.375 1.00 0.00 O ATOM 747 CB THR A 504 1.224 -10.440 0.174 1.00 0.00 C ATOM 748 OG1 THR A 504 1.713 -11.681 0.643 1.00 0.00 O ATOM 749 CG2 THR A 504 2.414 -9.593 -0.220 1.00 0.00 C ATOM 0 H THR A 504 -0.872 -11.486 0.905 1.00 0.00 H new ATOM 0 HA THR A 504 0.863 -9.574 2.139 1.00 0.00 H new ATOM 0 HB THR A 504 0.593 -10.569 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.097 -12.396 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.008 -10.124 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.066 -8.649 -0.640 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.026 -9.395 0.660 1.00 0.00 H new ATOM 757 N PHE A 505 -0.609 -8.431 -0.599 1.00 0.00 N ATOM 758 CA PHE A 505 -1.100 -7.217 -1.260 1.00 0.00 C ATOM 759 C PHE A 505 -2.502 -6.792 -0.817 1.00 0.00 C ATOM 760 O PHE A 505 -2.715 -5.675 -0.346 1.00 0.00 O ATOM 761 CB PHE A 505 -1.040 -7.364 -2.790 1.00 0.00 C ATOM 762 CG PHE A 505 -0.294 -6.243 -3.455 1.00 0.00 C ATOM 763 CD1 PHE A 505 -0.925 -5.042 -3.732 1.00 0.00 C ATOM 764 CD2 PHE A 505 1.042 -6.388 -3.797 1.00 0.00 C ATOM 765 CE1 PHE A 505 -0.238 -4.006 -4.337 1.00 0.00 C ATOM 766 CE2 PHE A 505 1.734 -5.354 -4.400 1.00 0.00 C ATOM 767 CZ PHE A 505 1.092 -4.163 -4.670 1.00 0.00 C ATOM 0 H PHE A 505 -0.625 -9.261 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.429 -6.418 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.562 -8.311 -3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -2.055 -7.404 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -1.965 -4.913 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.548 -7.319 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -0.742 -3.074 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 505 2.775 -5.478 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.630 -3.354 -5.142 1.00 0.00 H new ATOM 777 N SER A 506 -3.461 -7.680 -1.055 1.00 0.00 N ATOM 778 CA SER A 506 -4.874 -7.432 -0.785 1.00 0.00 C ATOM 779 C SER A 506 -5.180 -6.871 0.607 1.00 0.00 C ATOM 780 O SER A 506 -5.569 -5.710 0.745 1.00 0.00 O ATOM 781 CB SER A 506 -5.635 -8.747 -0.962 1.00 0.00 C ATOM 782 OG SER A 506 -6.120 -8.883 -2.287 1.00 0.00 O ATOM 0 H SER A 506 -3.277 -8.604 -1.446 1.00 0.00 H new ATOM 0 HA SER A 506 -5.188 -6.663 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 506 -4.979 -9.585 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 506 -6.469 -8.785 -0.261 1.00 0.00 H new ATOM 0 HG SER A 506 -6.601 -9.732 -2.374 1.00 0.00 H new ATOM 788 N LYS A 507 -5.064 -7.710 1.624 1.00 0.00 N ATOM 789 CA LYS A 507 -5.397 -7.298 2.985 1.00 0.00 C ATOM 790 C LYS A 507 -4.728 -5.996 3.386 1.00 0.00 C ATOM 791 O LYS A 507 -5.384 -5.098 3.916 1.00 0.00 O ATOM 792 CB LYS A 507 -5.078 -8.399 3.988 1.00 0.00 C ATOM 793 CG LYS A 507 -3.601 -8.724 4.098 1.00 0.00 C ATOM 794 CD LYS A 507 -2.829 -7.799 5.037 1.00 0.00 C ATOM 795 CE LYS A 507 -3.691 -7.195 6.142 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.962 -6.149 6.910 1.00 0.00 N ATOM 0 H LYS A 507 -4.744 -8.675 1.538 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.472 -7.118 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -5.448 -8.101 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.618 -9.302 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.491 -9.751 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -3.153 -8.673 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -2.009 -8.357 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.382 -6.993 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.591 -6.762 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -4.015 -7.984 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.715 -6.518 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -2.093 -5.887 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.568 -5.310 7.015 1.00 0.00 H new ATOM 810 N VAL A 508 -3.434 -5.890 3.158 1.00 0.00 N ATOM 811 CA VAL A 508 -2.704 -4.689 3.531 1.00 0.00 C ATOM 812 C VAL A 508 -3.356 -3.431 2.972 1.00 0.00 C ATOM 813 O VAL A 508 -3.701 -2.514 3.719 1.00 0.00 O ATOM 814 CB VAL A 508 -1.243 -4.737 3.048 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.586 -3.371 3.190 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.460 -5.792 3.813 1.00 0.00 C ATOM 0 H VAL A 508 -2.867 -6.615 2.719 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.726 -4.653 4.620 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.240 -5.009 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.446 -3.426 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.131 -2.641 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.602 -3.067 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.570 -5.810 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.472 -5.554 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.916 -6.769 3.655 1.00 0.00 H new ATOM 826 N LEU A 509 -3.479 -3.375 1.661 1.00 0.00 N ATOM 827 CA LEU A 509 -4.026 -2.206 0.994 1.00 0.00 C ATOM 828 C LEU A 509 -5.448 -1.811 1.425 1.00 0.00 C ATOM 829 O LEU A 509 -5.649 -0.695 1.903 1.00 0.00 O ATOM 830 CB LEU A 509 -3.956 -2.389 -0.528 1.00 0.00 C ATOM 831 CG LEU A 509 -5.075 -3.215 -1.155 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.279 -2.335 -1.441 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.588 -3.896 -2.424 1.00 0.00 C ATOM 0 H LEU A 509 -3.206 -4.130 1.031 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.398 -1.373 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.955 -1.403 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.003 -2.858 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.375 -3.990 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.071 -2.936 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.638 -1.896 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -5.993 -1.540 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.399 -4.481 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.262 -3.141 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.753 -4.555 -2.186 1.00 0.00 H new ATOM 845 N TRP A 510 -6.440 -2.669 1.199 1.00 0.00 N ATOM 846 CA TRP A 510 -7.819 -2.299 1.518 1.00 0.00 C ATOM 847 C TRP A 510 -8.142 -2.272 3.002 1.00 0.00 C ATOM 848 O TRP A 510 -8.702 -1.306 3.518 1.00 0.00 O ATOM 849 CB TRP A 510 -8.837 -3.188 0.791 1.00 0.00 C ATOM 850 CG TRP A 510 -8.447 -4.625 0.613 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.922 -5.189 -0.512 1.00 0.00 C ATOM 852 CD2 TRP A 510 -8.591 -5.689 1.567 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.740 -6.536 -0.324 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.135 -6.867 0.946 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.060 -5.764 2.885 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.136 -8.102 1.593 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -9.058 -6.991 3.526 1.00 0.00 C ATOM 858 CH2 TRP A 510 -8.601 -8.144 2.879 1.00 0.00 C ATOM 0 H TRP A 510 -6.322 -3.603 0.806 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.903 -1.273 1.159 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.778 -3.153 1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -9.027 -2.759 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.684 -4.653 -1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.370 -7.186 -1.018 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -9.417 -4.880 3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -7.782 -8.994 1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -9.415 -7.059 4.543 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -8.616 -9.087 3.406 1.00 0.00 H new ATOM 869 N SER A 511 -7.837 -3.355 3.660 1.00 0.00 N ATOM 870 CA SER A 511 -8.140 -3.514 5.064 1.00 0.00 C ATOM 871 C SER A 511 -7.439 -2.495 5.930 1.00 0.00 C ATOM 872 O SER A 511 -8.034 -1.924 6.845 1.00 0.00 O ATOM 873 CB SER A 511 -7.768 -4.924 5.528 1.00 0.00 C ATOM 874 OG SER A 511 -8.884 -5.580 6.105 1.00 0.00 O ATOM 0 H SER A 511 -7.369 -4.159 3.241 1.00 0.00 H new ATOM 0 HA SER A 511 -9.213 -3.354 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.399 -5.503 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.958 -4.869 6.255 1.00 0.00 H new ATOM 0 HG SER A 511 -8.622 -6.480 6.392 1.00 0.00 H new ATOM 880 N ALA A 512 -6.154 -2.344 5.704 1.00 0.00 N ATOM 881 CA ALA A 512 -5.354 -1.485 6.534 1.00 0.00 C ATOM 882 C ALA A 512 -5.557 0.012 6.381 1.00 0.00 C ATOM 883 O ALA A 512 -6.041 0.668 7.305 1.00 0.00 O ATOM 884 CB ALA A 512 -3.886 -1.811 6.333 1.00 0.00 C ATOM 0 H ALA A 512 -5.644 -2.807 4.951 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.700 -1.701 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.279 -1.160 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.704 -2.851 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.619 -1.657 5.288 1.00 0.00 H new ATOM 890 N GLY A 513 -5.063 0.574 5.287 1.00 0.00 N ATOM 891 CA GLY A 513 -5.091 2.018 5.172 1.00 0.00 C ATOM 892 C GLY A 513 -5.917 2.708 4.110 1.00 0.00 C ATOM 893 O GLY A 513 -6.305 3.859 4.310 1.00 0.00 O ATOM 0 H GLY A 513 -4.654 0.074 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.423 2.407 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.060 2.345 5.035 1.00 0.00 H new ATOM 897 N LEU A 514 -6.039 2.130 2.927 1.00 0.00 N ATOM 898 CA LEU A 514 -6.647 2.900 1.842 1.00 0.00 C ATOM 899 C LEU A 514 -8.047 2.561 1.359 1.00 0.00 C ATOM 900 O LEU A 514 -8.744 3.481 0.928 1.00 0.00 O ATOM 901 CB LEU A 514 -5.705 2.884 0.629 1.00 0.00 C ATOM 902 CG LEU A 514 -4.946 4.192 0.343 1.00 0.00 C ATOM 903 CD1 LEU A 514 -4.579 4.281 -1.128 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.755 5.413 0.761 1.00 0.00 C ATOM 0 H LEU A 514 -5.745 1.182 2.694 1.00 0.00 H new ATOM 0 HA LEU A 514 -6.785 3.874 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -4.974 2.088 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.288 2.626 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.032 4.180 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -4.043 5.212 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -3.944 3.437 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.486 4.259 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.187 6.318 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.695 5.433 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -5.963 5.363 1.830 1.00 0.00 H new ATOM 916 N VAL A 515 -8.455 1.303 1.262 1.00 0.00 N ATOM 917 CA VAL A 515 -9.748 1.106 0.619 1.00 0.00 C ATOM 918 C VAL A 515 -10.571 -0.142 1.007 1.00 0.00 C ATOM 919 O VAL A 515 -10.120 -1.045 1.696 1.00 0.00 O ATOM 920 CB VAL A 515 -9.462 1.135 -0.896 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.555 -0.021 -1.269 1.00 0.00 C ATOM 922 CG2 VAL A 515 -10.728 1.166 -1.742 1.00 0.00 C ATOM 0 H VAL A 515 -7.963 0.471 1.587 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.404 1.901 0.972 1.00 0.00 H new ATOM 0 HB VAL A 515 -8.948 2.070 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.356 0.004 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.615 0.063 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.041 -0.962 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -10.459 1.186 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.325 0.278 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.307 2.057 -1.498 1.00 0.00 H new ATOM 932 N ALA A 516 -11.804 -0.132 0.486 1.00 0.00 N ATOM 933 CA ALA A 516 -12.827 -1.166 0.625 1.00 0.00 C ATOM 934 C ALA A 516 -12.615 -2.220 -0.454 1.00 0.00 C ATOM 935 O ALA A 516 -13.440 -3.108 -0.671 1.00 0.00 O ATOM 936 CB ALA A 516 -14.223 -0.566 0.536 1.00 0.00 C ATOM 0 H ALA A 516 -12.131 0.651 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.738 -1.633 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.966 -1.356 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.356 0.166 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.348 -0.078 -0.431 1.00 0.00 H new ATOM 942 N SER A 517 -11.555 -1.993 -1.205 1.00 0.00 N ATOM 943 CA SER A 517 -11.177 -2.717 -2.372 1.00 0.00 C ATOM 944 C SER A 517 -10.923 -4.203 -2.167 1.00 0.00 C ATOM 945 O SER A 517 -10.391 -4.838 -3.069 1.00 0.00 O ATOM 946 CB SER A 517 -9.946 -2.032 -2.974 1.00 0.00 C ATOM 947 OG SER A 517 -8.755 -2.461 -2.348 1.00 0.00 O ATOM 0 H SER A 517 -10.899 -1.243 -0.988 1.00 0.00 H new ATOM 0 HA SER A 517 -12.030 -2.691 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.895 -2.247 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 517 -10.043 -0.951 -2.871 1.00 0.00 H new ATOM 0 HG SER A 517 -7.988 -2.231 -2.912 1.00 0.00 H new ATOM 953 N LYS A 518 -11.299 -4.807 -1.036 1.00 0.00 N ATOM 954 CA LYS A 518 -11.061 -6.246 -0.920 1.00 0.00 C ATOM 955 C LYS A 518 -11.409 -6.811 -2.291 1.00 0.00 C ATOM 956 O LYS A 518 -10.633 -7.550 -2.896 1.00 0.00 O ATOM 957 CB LYS A 518 -12.009 -6.881 0.109 1.00 0.00 C ATOM 958 CG LYS A 518 -11.567 -6.755 1.551 1.00 0.00 C ATOM 959 CD LYS A 518 -11.807 -5.354 2.093 1.00 0.00 C ATOM 960 CE LYS A 518 -13.275 -4.969 2.016 1.00 0.00 C ATOM 961 NZ LYS A 518 -13.656 -4.010 3.089 1.00 0.00 N ATOM 0 H LYS A 518 -11.742 -4.357 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 518 -10.037 -6.448 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -12.993 -6.423 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -12.123 -7.939 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -12.107 -7.479 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -10.508 -6.999 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -11.470 -5.301 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -11.212 -4.637 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -13.483 -4.525 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -13.890 -5.866 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -14.624 -3.669 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -13.611 -4.486 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -12.999 -3.204 3.083 1.00 0.00 H new ATOM 975 N SER A 519 -12.531 -6.336 -2.818 1.00 0.00 N ATOM 976 CA SER A 519 -12.939 -6.657 -4.174 1.00 0.00 C ATOM 977 C SER A 519 -12.063 -5.869 -5.171 1.00 0.00 C ATOM 978 O SER A 519 -11.469 -6.432 -6.101 1.00 0.00 O ATOM 979 CB SER A 519 -14.416 -6.319 -4.386 1.00 0.00 C ATOM 980 OG SER A 519 -15.017 -7.213 -5.306 1.00 0.00 O ATOM 0 H SER A 519 -13.177 -5.723 -2.320 1.00 0.00 H new ATOM 0 HA SER A 519 -12.808 -7.726 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.943 -6.364 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.509 -5.297 -4.753 1.00 0.00 H new ATOM 0 HG SER A 519 -15.961 -6.977 -5.423 1.00 0.00 H new ATOM 986 N GLU A 520 -12.003 -4.538 -4.956 1.00 0.00 N ATOM 987 CA GLU A 520 -11.233 -3.643 -5.818 1.00 0.00 C ATOM 988 C GLU A 520 -9.734 -3.952 -5.784 1.00 0.00 C ATOM 989 O GLU A 520 -9.086 -4.021 -6.825 1.00 0.00 O ATOM 990 CB GLU A 520 -11.502 -2.171 -5.480 1.00 0.00 C ATOM 991 CG GLU A 520 -12.586 -1.532 -6.330 1.00 0.00 C ATOM 992 CD GLU A 520 -12.092 -1.137 -7.708 1.00 0.00 C ATOM 993 OE1 GLU A 520 -11.270 -0.201 -7.798 1.00 0.00 O ATOM 994 OE2 GLU A 520 -12.527 -1.764 -8.697 1.00 0.00 O ATOM 0 H GLU A 520 -12.483 -4.067 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 520 -11.573 -3.821 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -11.786 -2.096 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -10.578 -1.606 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -13.419 -2.228 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -12.969 -0.649 -5.819 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.188 -4.126 -4.588 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.782 -4.413 -4.427 1.00 0.00 C ATOM 1003 C GLY A 521 -7.347 -5.525 -5.327 1.00 0.00 C ATOM 1004 O GLY A 521 -6.478 -5.333 -6.167 1.00 0.00 O ATOM 0 H GLY A 521 -9.708 -4.071 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.199 -3.518 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.580 -4.682 -3.390 1.00 0.00 H new ATOM 1008 N GLN A 522 -7.969 -6.684 -5.175 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.650 -7.829 -6.008 1.00 0.00 C ATOM 1010 C GLN A 522 -7.619 -7.410 -7.478 1.00 0.00 C ATOM 1011 O GLN A 522 -6.672 -7.722 -8.198 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.669 -8.949 -5.798 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.279 -9.931 -4.705 1.00 0.00 C ATOM 1014 CD GLN A 522 -8.618 -11.366 -5.062 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -7.774 -12.108 -5.564 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -9.857 -11.762 -4.802 1.00 0.00 N ATOM 0 H GLN A 522 -8.698 -6.855 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.667 -8.204 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.635 -8.508 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.797 -9.492 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.209 -9.851 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.788 -9.661 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -10.523 -11.112 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -10.143 -12.717 -5.019 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.650 -6.684 -7.913 1.00 0.00 N ATOM 1026 CA ARG A 523 -8.717 -6.207 -9.295 1.00 0.00 C ATOM 1027 C ARG A 523 -7.413 -5.509 -9.694 1.00 0.00 C ATOM 1028 O ARG A 523 -6.846 -5.800 -10.741 1.00 0.00 O ATOM 1029 CB ARG A 523 -9.910 -5.261 -9.482 1.00 0.00 C ATOM 1030 CG ARG A 523 -9.901 -4.510 -10.807 1.00 0.00 C ATOM 1031 CD ARG A 523 -9.599 -5.435 -11.974 1.00 0.00 C ATOM 1032 NE ARG A 523 -10.446 -5.156 -13.130 1.00 0.00 N ATOM 1033 CZ ARG A 523 -11.722 -5.527 -13.221 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -12.300 -6.191 -12.227 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -12.422 -5.231 -14.308 1.00 0.00 N ATOM 0 H ARG A 523 -9.445 -6.415 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 523 -8.855 -7.071 -9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.833 -5.837 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.919 -4.538 -8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.869 -4.033 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -9.156 -3.715 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -8.552 -5.329 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -9.741 -6.470 -11.662 1.00 0.00 H new ATOM 0 HE ARG A 523 -10.037 -4.647 -13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -11.767 -6.419 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -13.277 -6.473 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -11.983 -4.720 -15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -13.399 -5.515 -14.378 1.00 0.00 H new ATOM 1049 N ILE A 524 -6.941 -4.593 -8.850 1.00 0.00 N ATOM 1050 CA ILE A 524 -5.700 -3.871 -9.114 1.00 0.00 C ATOM 1051 C ILE A 524 -4.555 -4.857 -9.265 1.00 0.00 C ATOM 1052 O ILE A 524 -3.864 -4.884 -10.282 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.365 -2.884 -7.977 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.554 -1.966 -7.695 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.129 -2.066 -8.326 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -6.744 -1.662 -6.225 1.00 0.00 C ATOM 0 H ILE A 524 -7.401 -4.334 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 524 -5.836 -3.304 -10.035 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.153 -3.458 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -6.417 -1.030 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.461 -2.430 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -3.908 -1.375 -7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.281 -2.734 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.312 -1.502 -9.241 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -7.605 -1.006 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.912 -2.591 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -5.852 -1.170 -5.837 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.393 -5.691 -8.252 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.373 -6.719 -8.257 1.00 0.00 C ATOM 1070 C ILE A 525 -3.481 -7.493 -9.567 1.00 0.00 C ATOM 1071 O ILE A 525 -2.499 -7.705 -10.276 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.518 -7.705 -7.072 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.208 -7.058 -5.867 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.159 -8.229 -6.658 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.627 -5.714 -5.477 1.00 0.00 C ATOM 0 H ILE A 525 -4.964 -5.673 -7.407 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.402 -6.234 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.144 -8.530 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.268 -6.934 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.139 -7.734 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.275 -8.921 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.697 -8.747 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.525 -7.396 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.168 -5.320 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.574 -5.833 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -3.720 -5.021 -6.313 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.722 -7.869 -9.884 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.047 -8.581 -11.119 1.00 0.00 C ATOM 1089 C ASN A 526 -4.604 -7.738 -12.294 1.00 0.00 C ATOM 1090 O ASN A 526 -3.914 -8.201 -13.203 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.545 -8.837 -11.207 1.00 0.00 C ATOM 1092 CG ASN A 526 -6.974 -10.065 -10.429 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.882 -9.875 -9.480 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -6.496 -11.172 -10.680 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.531 -7.687 -9.289 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.533 -9.542 -11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.081 -7.967 -10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -6.828 -8.957 -12.253 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -5.800 -11.271 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -6.796 -11.989 -10.149 1.00 0.00 H new ATOM 1101 N ASN A 527 -4.978 -6.471 -12.218 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.608 -5.479 -13.212 1.00 0.00 C ATOM 1103 C ASN A 527 -3.115 -5.610 -13.475 1.00 0.00 C ATOM 1104 O ASN A 527 -2.650 -5.491 -14.609 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.001 -4.069 -12.743 1.00 0.00 C ATOM 1106 CG ASN A 527 -3.838 -3.098 -12.683 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.484 -2.693 -11.474 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.269 -2.721 -13.707 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.551 -6.101 -11.460 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.146 -5.648 -14.145 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -5.760 -3.671 -13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.456 -4.138 -11.755 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.579 -3.062 -14.617 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -2.488 -2.068 -13.645 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.372 -5.840 -12.395 1.00 0.00 N ATOM 1116 CA ASN A 528 -0.926 -5.975 -12.460 1.00 0.00 C ATOM 1117 C ASN A 528 -0.262 -4.636 -12.676 1.00 0.00 C ATOM 1118 O ASN A 528 0.725 -4.511 -13.402 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.526 -6.949 -13.574 1.00 0.00 C ATOM 1120 CG ASN A 528 0.917 -7.405 -13.463 1.00 0.00 C ATOM 1121 OD1 ASN A 528 1.117 -8.610 -12.940 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.840 -6.685 -13.843 1.00 0.00 N flip ATOM 0 H ASN A 528 -2.757 -5.937 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.585 -6.374 -11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.181 -7.819 -13.542 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.678 -6.470 -14.541 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.640 -5.766 -14.239 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.804 -7.007 -13.762 1.00 0.00 H new ATOM 1129 N GLY A 529 -0.809 -3.642 -11.996 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.261 -2.303 -12.066 1.00 0.00 C ATOM 1131 C GLY A 529 0.294 -1.857 -10.725 1.00 0.00 C ATOM 1132 O GLY A 529 0.439 -0.661 -10.473 1.00 0.00 O ATOM 0 H GLY A 529 -1.627 -3.738 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.529 -2.271 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.036 -1.608 -12.389 1.00 0.00 H new ATOM 1136 N ALA A 530 0.591 -2.825 -9.855 1.00 0.00 N ATOM 1137 CA ALA A 530 1.116 -2.531 -8.529 1.00 0.00 C ATOM 1138 C ALA A 530 2.319 -3.421 -8.186 1.00 0.00 C ATOM 1139 O ALA A 530 2.464 -4.514 -8.719 1.00 0.00 O ATOM 1140 CB ALA A 530 0.015 -2.710 -7.497 1.00 0.00 C ATOM 0 H ALA A 530 0.475 -3.819 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 530 1.462 -1.498 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.408 -2.490 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.807 -2.031 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.346 -3.738 -7.525 1.00 0.00 H new ATOM 1146 N TYR A 531 3.153 -2.953 -7.266 1.00 0.00 N ATOM 1147 CA TYR A 531 4.318 -3.702 -6.804 1.00 0.00 C ATOM 1148 C TYR A 531 4.361 -3.657 -5.272 1.00 0.00 C ATOM 1149 O TYR A 531 3.736 -2.785 -4.663 1.00 0.00 O ATOM 1150 CB TYR A 531 5.606 -3.159 -7.452 1.00 0.00 C ATOM 1151 CG TYR A 531 6.507 -2.355 -6.538 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.492 -2.973 -5.775 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.379 -0.977 -6.451 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.320 -2.237 -4.950 1.00 0.00 C ATOM 1155 CE2 TYR A 531 7.204 -0.234 -5.630 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.172 -0.868 -4.882 1.00 0.00 C ATOM 1157 OH TYR A 531 8.995 -0.131 -4.061 1.00 0.00 O ATOM 0 H TYR A 531 3.042 -2.043 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 531 4.241 -4.745 -7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.176 -4.000 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.329 -2.535 -8.302 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.611 -4.045 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 531 5.621 -0.476 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.079 -2.731 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 531 7.091 0.839 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 531 8.761 0.818 -4.130 1.00 0.00 H new ATOM 1167 N VAL A 532 5.062 -4.604 -4.637 1.00 0.00 N ATOM 1168 CA VAL A 532 5.103 -4.626 -3.170 1.00 0.00 C ATOM 1169 C VAL A 532 6.527 -4.621 -2.613 1.00 0.00 C ATOM 1170 O VAL A 532 7.422 -5.334 -3.090 1.00 0.00 O ATOM 1171 CB VAL A 532 4.297 -5.839 -2.627 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.179 -6.809 -1.845 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.139 -5.360 -1.762 1.00 0.00 C ATOM 0 H VAL A 532 5.593 -5.343 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 532 4.637 -3.703 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 532 3.902 -6.380 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.574 -7.641 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 532 5.967 -7.189 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.626 -6.291 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.584 -6.220 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.527 -4.786 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.477 -4.731 -2.357 1.00 0.00 H new ATOM 1183 N GLY A 533 6.715 -3.786 -1.587 1.00 0.00 N ATOM 1184 CA GLY A 533 8.012 -3.663 -0.958 1.00 0.00 C ATOM 1185 C GLY A 533 7.989 -3.675 0.562 1.00 0.00 C ATOM 1186 O GLY A 533 6.960 -3.416 1.191 1.00 0.00 O ATOM 0 H GLY A 533 5.987 -3.195 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.646 -4.479 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.476 -2.735 -1.293 1.00 0.00 H new ATOM 1190 N SER A 534 9.157 -3.957 1.139 1.00 0.00 N ATOM 1191 CA SER A 534 9.343 -3.983 2.594 1.00 0.00 C ATOM 1192 C SER A 534 10.606 -3.233 2.986 1.00 0.00 C ATOM 1193 O SER A 534 11.643 -3.397 2.347 1.00 0.00 O ATOM 1194 CB SER A 534 9.466 -5.411 3.114 1.00 0.00 C ATOM 1195 OG SER A 534 9.251 -5.453 4.512 1.00 0.00 O ATOM 0 H SER A 534 10.003 -4.174 0.612 1.00 0.00 H new ATOM 0 HA SER A 534 8.466 -3.507 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 534 8.742 -6.051 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.455 -5.805 2.881 1.00 0.00 H new ATOM 0 HG SER A 534 8.359 -5.814 4.695 1.00 0.00 H new ATOM 1201 N ARG A 535 10.536 -2.432 4.045 1.00 0.00 N ATOM 1202 CA ARG A 535 11.714 -1.700 4.497 1.00 0.00 C ATOM 1203 C ARG A 535 11.598 -1.243 5.951 1.00 0.00 C ATOM 1204 O ARG A 535 11.139 -0.138 6.225 1.00 0.00 O ATOM 1205 CB ARG A 535 11.947 -0.510 3.584 1.00 0.00 C ATOM 1206 CG ARG A 535 13.382 -0.013 3.579 1.00 0.00 C ATOM 1207 CD ARG A 535 14.343 -1.106 3.143 1.00 0.00 C ATOM 1208 NE ARG A 535 15.555 -0.563 2.534 1.00 0.00 N ATOM 1209 CZ ARG A 535 16.580 -0.076 3.229 1.00 0.00 C ATOM 1210 NH1 ARG A 535 16.545 -0.059 4.556 1.00 0.00 N ATOM 1211 NH2 ARG A 535 17.644 0.398 2.594 1.00 0.00 N ATOM 0 H ARG A 535 9.693 -2.275 4.597 1.00 0.00 H new ATOM 0 HA ARG A 535 12.566 -2.378 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 535 11.663 -0.783 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.291 0.305 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.471 0.841 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 535 13.652 0.335 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.613 -1.715 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 535 13.844 -1.764 2.431 1.00 0.00 H new ATOM 0 HE ARG A 535 15.619 -0.557 1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 535 15.729 -0.421 5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 535 17.334 0.316 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.676 0.389 1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 535 18.430 0.772 3.125 1.00 0.00 H new ATOM 1401 N ASP A 549 15.083 -9.089 2.701 1.00 0.00 N ATOM 1402 CA ASP A 549 13.849 -8.782 3.396 1.00 0.00 C ATOM 1403 C ASP A 549 13.838 -7.308 3.767 1.00 0.00 C ATOM 1404 O ASP A 549 12.780 -6.716 3.983 1.00 0.00 O ATOM 1405 CB ASP A 549 13.707 -9.645 4.651 1.00 0.00 C ATOM 1406 CG ASP A 549 14.846 -9.436 5.629 1.00 0.00 C ATOM 1407 OD1 ASP A 549 14.906 -8.352 6.248 1.00 0.00 O ATOM 1408 OD2 ASP A 549 15.680 -10.355 5.776 1.00 0.00 O ATOM 0 HA ASP A 549 13.006 -8.999 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 549 12.762 -9.413 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 549 13.667 -10.696 4.363 1.00 0.00 H new ATOM 1413 N ASP A 550 15.032 -6.713 3.825 1.00 0.00 N ATOM 1414 CA ASP A 550 15.165 -5.308 4.152 1.00 0.00 C ATOM 1415 C ASP A 550 14.388 -4.484 3.141 1.00 0.00 C ATOM 1416 O ASP A 550 13.601 -3.623 3.505 1.00 0.00 O ATOM 1417 CB ASP A 550 16.637 -4.892 4.158 1.00 0.00 C ATOM 1418 CG ASP A 550 16.934 -3.837 5.206 1.00 0.00 C ATOM 1419 OD1 ASP A 550 16.635 -2.650 4.955 1.00 0.00 O ATOM 1420 OD2 ASP A 550 17.466 -4.197 6.277 1.00 0.00 O ATOM 0 H ASP A 550 15.916 -7.190 3.648 1.00 0.00 H new ATOM 0 HA ASP A 550 14.762 -5.134 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.259 -5.768 4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.908 -4.509 3.174 1.00 0.00 H new ATOM 1425 N LEU A 551 14.598 -4.795 1.868 1.00 0.00 N ATOM 1426 CA LEU A 551 13.906 -4.132 0.775 1.00 0.00 C ATOM 1427 C LEU A 551 13.129 -5.174 -0.010 1.00 0.00 C ATOM 1428 O LEU A 551 13.619 -6.277 -0.228 1.00 0.00 O ATOM 1429 CB LEU A 551 14.899 -3.425 -0.152 1.00 0.00 C ATOM 1430 CG LEU A 551 14.395 -3.184 -1.582 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.145 -2.315 -1.572 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.483 -2.547 -2.432 1.00 0.00 C ATOM 0 H LEU A 551 15.254 -5.515 1.566 1.00 0.00 H new ATOM 0 HA LEU A 551 13.230 -3.381 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.165 -2.465 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.813 -4.017 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 551 14.137 -4.148 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.804 -2.156 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.361 -2.812 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.374 -1.353 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 551 15.107 -2.384 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.774 -1.592 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.349 -3.208 -2.470 1.00 0.00 H new ATOM 1444 N THR A 552 11.925 -4.841 -0.436 1.00 0.00 N ATOM 1445 CA THR A 552 11.135 -5.793 -1.195 1.00 0.00 C ATOM 1446 C THR A 552 10.512 -5.168 -2.434 1.00 0.00 C ATOM 1447 O THR A 552 10.129 -3.999 -2.449 1.00 0.00 O ATOM 1448 CB THR A 552 10.056 -6.434 -0.320 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.564 -6.725 0.969 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.511 -7.723 -0.897 1.00 0.00 C ATOM 0 H THR A 552 11.479 -3.938 -0.274 1.00 0.00 H new ATOM 0 HA THR A 552 11.820 -6.571 -1.532 1.00 0.00 H new ATOM 0 HB THR A 552 9.249 -5.703 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.644 -7.696 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.750 -8.127 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.069 -7.526 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.321 -8.445 -1.004 1.00 0.00 H new ATOM 1458 N PHE A 553 10.375 -5.991 -3.451 1.00 0.00 N ATOM 1459 CA PHE A 553 9.740 -5.615 -4.695 1.00 0.00 C ATOM 1460 C PHE A 553 8.798 -6.743 -5.076 1.00 0.00 C ATOM 1461 O PHE A 553 9.162 -7.905 -4.956 1.00 0.00 O ATOM 1462 CB PHE A 553 10.783 -5.384 -5.792 1.00 0.00 C ATOM 1463 CG PHE A 553 10.615 -4.078 -6.516 1.00 0.00 C ATOM 1464 CD1 PHE A 553 11.047 -2.892 -5.945 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.026 -4.038 -7.770 1.00 0.00 C ATOM 1466 CE1 PHE A 553 10.896 -1.691 -6.610 1.00 0.00 C ATOM 1467 CE2 PHE A 553 9.871 -2.840 -8.441 1.00 0.00 C ATOM 1468 CZ PHE A 553 10.307 -1.664 -7.860 1.00 0.00 C ATOM 0 H PHE A 553 10.707 -6.955 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 553 9.192 -4.680 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.778 -5.419 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.727 -6.200 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 553 11.507 -2.907 -4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.684 -4.954 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 553 11.238 -0.774 -6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 553 9.410 -2.823 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 553 10.188 -0.726 -8.382 1.00 0.00 H new ATOM 1478 N THR A 554 7.608 -6.442 -5.534 1.00 0.00 N ATOM 1479 CA THR A 554 6.701 -7.506 -5.917 1.00 0.00 C ATOM 1480 C THR A 554 6.084 -7.211 -7.272 1.00 0.00 C ATOM 1481 O THR A 554 5.701 -6.080 -7.554 1.00 0.00 O ATOM 1482 CB THR A 554 5.644 -7.702 -4.823 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.999 -8.784 -3.980 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.241 -7.967 -5.325 1.00 0.00 C ATOM 0 H THR A 554 7.247 -5.495 -5.650 1.00 0.00 H new ATOM 0 HA THR A 554 7.251 -8.442 -6.016 1.00 0.00 H new ATOM 0 HB THR A 554 5.629 -6.749 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 554 5.616 -9.614 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.568 -8.091 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.907 -7.126 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.236 -8.875 -5.928 1.00 0.00 H new ATOM 1492 N PRO A 555 5.974 -8.227 -8.134 1.00 0.00 N ATOM 1493 CA PRO A 555 5.397 -8.062 -9.452 1.00 0.00 C ATOM 1494 C PRO A 555 3.884 -8.212 -9.436 1.00 0.00 C ATOM 1495 O PRO A 555 3.273 -8.498 -10.461 1.00 0.00 O ATOM 1496 CB PRO A 555 6.065 -9.176 -10.237 1.00 0.00 C ATOM 1497 CG PRO A 555 6.217 -10.278 -9.246 1.00 0.00 C ATOM 1498 CD PRO A 555 6.414 -9.614 -7.904 1.00 0.00 C ATOM 0 HA PRO A 555 5.561 -7.071 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.456 -9.485 -11.087 1.00 0.00 H new ATOM 0 HB3 PRO A 555 7.030 -8.861 -10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.335 -10.918 -9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 555 7.068 -10.911 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.823 -10.098 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.455 -9.656 -7.585 1.00 0.00 H new ATOM 1506 N ILE A 556 3.288 -7.946 -8.270 1.00 0.00 N ATOM 1507 CA ILE A 556 1.843 -7.971 -8.118 1.00 0.00 C ATOM 1508 C ILE A 556 1.175 -9.339 -8.322 1.00 0.00 C ATOM 1509 O ILE A 556 0.046 -9.403 -8.810 1.00 0.00 O ATOM 1510 CB ILE A 556 1.181 -6.918 -9.008 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.042 -6.317 -8.319 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.799 -7.520 -10.330 1.00 0.00 C ATOM 1513 CD1 ILE A 556 0.202 -5.899 -6.886 1.00 0.00 C ATOM 0 H ILE A 556 3.794 -7.710 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 556 1.681 -7.734 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 556 1.898 -6.116 -9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.377 -5.449 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.853 -7.045 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.329 -6.760 -10.954 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.691 -7.898 -10.829 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.099 -8.340 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.714 -5.482 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.506 -6.767 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.990 -5.146 -6.856 1.00 0.00 H new ATOM 1525 N LYS A 557 1.834 -10.427 -7.964 1.00 0.00 N ATOM 1526 CA LYS A 557 1.225 -11.740 -8.156 1.00 0.00 C ATOM 1527 C LYS A 557 0.754 -12.233 -6.803 1.00 0.00 C ATOM 1528 O LYS A 557 1.480 -12.184 -5.820 1.00 0.00 O ATOM 1529 CB LYS A 557 2.230 -12.723 -8.764 1.00 0.00 C ATOM 1530 CG LYS A 557 2.150 -12.815 -10.279 1.00 0.00 C ATOM 1531 CD LYS A 557 2.385 -14.236 -10.764 1.00 0.00 C ATOM 1532 CE LYS A 557 1.474 -14.583 -11.931 1.00 0.00 C ATOM 1533 NZ LYS A 557 2.074 -15.618 -12.816 1.00 0.00 N ATOM 0 H LYS A 557 2.766 -10.435 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 557 0.385 -11.665 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.238 -12.422 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.061 -13.712 -8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.171 -12.472 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.890 -12.150 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.426 -14.351 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 557 2.212 -14.935 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 557 0.517 -14.941 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 557 1.269 -13.683 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.422 -15.826 -13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 2.975 -15.267 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.246 -16.486 -12.269 1.00 0.00 H new ATOM 1547 N THR A 558 -0.525 -12.585 -6.746 1.00 0.00 N ATOM 1548 CA THR A 558 -1.148 -12.946 -5.485 1.00 0.00 C ATOM 1549 C THR A 558 -0.488 -14.110 -4.758 1.00 0.00 C ATOM 1550 O THR A 558 -0.503 -15.258 -5.204 1.00 0.00 O ATOM 1551 CB THR A 558 -2.625 -13.267 -5.715 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.211 -13.799 -4.540 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.855 -14.260 -6.833 1.00 0.00 C ATOM 0 H THR A 558 -1.145 -12.627 -7.555 1.00 0.00 H new ATOM 0 HA THR A 558 -1.024 -12.078 -4.837 1.00 0.00 H new ATOM 0 HB THR A 558 -3.087 -12.319 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.156 -13.997 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.924 -14.443 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.458 -13.857 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.349 -15.196 -6.598 1.00 0.00 H new ATOM 1561 N TRP A 559 0.004 -13.770 -3.577 1.00 0.00 N ATOM 1562 CA TRP A 559 0.602 -14.698 -2.632 1.00 0.00 C ATOM 1563 C TRP A 559 0.090 -14.278 -1.265 1.00 0.00 C ATOM 1564 O TRP A 559 0.393 -13.171 -0.821 1.00 0.00 O ATOM 1565 CB TRP A 559 2.127 -14.644 -2.689 1.00 0.00 C ATOM 1566 CG TRP A 559 2.647 -13.371 -3.278 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.404 -12.102 -2.834 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.480 -13.243 -4.431 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.052 -11.194 -3.633 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.717 -11.870 -4.623 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.052 -14.155 -5.320 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.499 -11.391 -5.661 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 4.828 -13.673 -6.356 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.047 -12.304 -6.518 1.00 0.00 C ATOM 0 H TRP A 559 -0.003 -12.808 -3.239 1.00 0.00 H new ATOM 0 HA TRP A 559 0.331 -15.728 -2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.527 -14.761 -1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.493 -15.486 -3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.792 -11.851 -1.980 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.041 -10.181 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 559 3.891 -15.216 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.670 -10.332 -5.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 5.273 -14.368 -7.053 1.00 0.00 H new ATOM 0 HH2 TRP A 559 5.662 -11.959 -7.337 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.737 -15.082 -0.620 1.00 0.00 N ATOM 1586 CA ASN A 560 -1.298 -14.641 0.647 1.00 0.00 C ATOM 1587 C ASN A 560 -0.322 -14.720 1.817 1.00 0.00 C ATOM 1588 O ASN A 560 0.179 -13.698 2.268 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.547 -15.463 0.970 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.630 -15.306 -0.079 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -4.520 -14.464 0.051 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -3.562 -16.119 -1.127 1.00 0.00 N ATOM 0 H ASN A 560 -1.027 -16.008 -0.935 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.545 -13.587 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -2.275 -16.515 1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.938 -15.158 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.264 -16.060 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -2.807 -16.802 -1.194 1.00 0.00 H new ATOM 1599 N ALA A 561 -0.091 -15.925 2.322 1.00 0.00 N ATOM 1600 CA ALA A 561 0.788 -16.138 3.475 1.00 0.00 C ATOM 1601 C ALA A 561 2.292 -16.034 3.208 1.00 0.00 C ATOM 1602 O ALA A 561 3.009 -15.318 3.908 1.00 0.00 O ATOM 1603 CB ALA A 561 0.452 -17.453 4.129 1.00 0.00 C ATOM 0 H ALA A 561 -0.503 -16.781 1.950 1.00 0.00 H new ATOM 0 HA ALA A 561 0.586 -15.301 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.106 -17.611 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.586 -17.439 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 561 0.592 -18.262 3.412 1.00 0.00 H new ATOM 1609 N SER A 562 2.780 -16.807 2.256 1.00 0.00 N ATOM 1610 CA SER A 562 4.211 -16.847 1.967 1.00 0.00 C ATOM 1611 C SER A 562 4.830 -15.460 1.808 1.00 0.00 C ATOM 1612 O SER A 562 5.829 -15.132 2.459 1.00 0.00 O ATOM 1613 CB SER A 562 4.466 -17.672 0.705 1.00 0.00 C ATOM 1614 OG SER A 562 5.716 -18.338 0.774 1.00 0.00 O ATOM 0 H SER A 562 2.212 -17.417 1.668 1.00 0.00 H new ATOM 0 HA SER A 562 4.691 -17.313 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.668 -18.403 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.445 -17.021 -0.169 1.00 0.00 H new ATOM 0 HG SER A 562 5.854 -18.860 -0.044 1.00 0.00 H new ATOM 1620 N LYS A 563 4.255 -14.656 0.931 1.00 0.00 N ATOM 1621 CA LYS A 563 4.785 -13.325 0.676 1.00 0.00 C ATOM 1622 C LYS A 563 4.557 -12.380 1.837 1.00 0.00 C ATOM 1623 O LYS A 563 5.468 -11.667 2.240 1.00 0.00 O ATOM 1624 CB LYS A 563 4.214 -12.738 -0.608 1.00 0.00 C ATOM 1625 CG LYS A 563 5.249 -12.632 -1.716 1.00 0.00 C ATOM 1626 CD LYS A 563 6.427 -11.766 -1.303 1.00 0.00 C ATOM 1627 CE LYS A 563 7.715 -12.239 -1.955 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.833 -11.279 -1.741 1.00 0.00 N ATOM 0 H LYS A 563 3.427 -14.897 0.386 1.00 0.00 H new ATOM 0 HA LYS A 563 5.862 -13.440 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.385 -13.358 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 563 3.807 -11.748 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.604 -13.628 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.785 -12.213 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 563 6.235 -10.730 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 563 6.536 -11.789 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.990 -13.213 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.552 -12.373 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 9.203 -10.967 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 8.486 -10.455 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 9.592 -11.744 -1.203 1.00 0.00 H new ATOM 1642 N THR A 564 3.345 -12.347 2.358 1.00 0.00 N ATOM 1643 CA THR A 564 3.025 -11.448 3.458 1.00 0.00 C ATOM 1644 C THR A 564 4.073 -11.546 4.563 1.00 0.00 C ATOM 1645 O THR A 564 4.835 -10.613 4.787 1.00 0.00 O ATOM 1646 CB THR A 564 1.642 -11.761 4.009 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.385 -11.009 5.174 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.450 -13.204 4.352 1.00 0.00 C ATOM 0 H THR A 564 2.568 -12.927 2.042 1.00 0.00 H new ATOM 0 HA THR A 564 3.028 -10.427 3.077 1.00 0.00 H new ATOM 0 HB THR A 564 0.950 -11.500 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.417 -10.947 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.442 -13.355 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 564 1.591 -13.812 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.177 -13.498 5.109 1.00 0.00 H new ATOM 1656 N GLN A 565 4.132 -12.684 5.234 1.00 0.00 N ATOM 1657 CA GLN A 565 5.107 -12.886 6.294 1.00 0.00 C ATOM 1658 C GLN A 565 6.509 -12.483 5.835 1.00 0.00 C ATOM 1659 O GLN A 565 7.235 -11.798 6.556 1.00 0.00 O ATOM 1660 CB GLN A 565 5.106 -14.342 6.760 1.00 0.00 C ATOM 1661 CG GLN A 565 5.237 -14.497 8.268 1.00 0.00 C ATOM 1662 CD GLN A 565 6.387 -13.689 8.841 1.00 0.00 C ATOM 1663 OE1 GLN A 565 6.129 -12.420 9.141 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.494 -14.198 9.010 1.00 0.00 N flip ATOM 0 H GLN A 565 3.518 -13.481 5.065 1.00 0.00 H new ATOM 0 HA GLN A 565 4.823 -12.250 7.132 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.182 -14.819 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 565 5.927 -14.871 6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.307 -14.186 8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.382 -15.550 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.648 -15.176 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 565 8.258 -13.642 9.394 1.00 0.00 H new ATOM 1673 N GLU A 566 6.891 -12.932 4.644 1.00 0.00 N ATOM 1674 CA GLU A 566 8.215 -12.643 4.096 1.00 0.00 C ATOM 1675 C GLU A 566 8.572 -11.154 4.166 1.00 0.00 C ATOM 1676 O GLU A 566 9.502 -10.765 4.872 1.00 0.00 O ATOM 1677 CB GLU A 566 8.291 -13.128 2.644 1.00 0.00 C ATOM 1678 CG GLU A 566 9.553 -12.692 1.914 1.00 0.00 C ATOM 1679 CD GLU A 566 10.162 -13.807 1.086 1.00 0.00 C ATOM 1680 OE1 GLU A 566 10.433 -14.888 1.651 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.368 -13.601 -0.129 1.00 0.00 O ATOM 0 H GLU A 566 6.301 -13.500 4.036 1.00 0.00 H new ATOM 0 HA GLU A 566 8.941 -13.176 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.233 -14.216 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.422 -12.756 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.320 -11.848 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.286 -12.342 2.641 1.00 0.00 H new ATOM 1688 N PHE A 567 7.859 -10.337 3.399 1.00 0.00 N ATOM 1689 CA PHE A 567 8.126 -8.907 3.339 1.00 0.00 C ATOM 1690 C PHE A 567 7.349 -8.119 4.393 1.00 0.00 C ATOM 1691 O PHE A 567 7.878 -7.205 5.019 1.00 0.00 O ATOM 1692 CB PHE A 567 7.822 -8.391 1.922 1.00 0.00 C ATOM 1693 CG PHE A 567 6.483 -7.716 1.770 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.311 -8.447 1.844 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.403 -6.352 1.548 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.083 -7.832 1.701 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.177 -5.729 1.404 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.017 -6.470 1.480 1.00 0.00 C ATOM 0 H PHE A 567 7.087 -10.644 2.807 1.00 0.00 H new ATOM 0 HA PHE A 567 9.181 -8.751 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.603 -7.688 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 567 7.872 -9.229 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.357 -9.512 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.309 -5.767 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.176 -8.415 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.128 -4.664 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.058 -5.986 1.367 1.00 0.00 H new ATOM 1708 N ILE A 568 6.103 -8.492 4.586 1.00 0.00 N ATOM 1709 CA ILE A 568 5.223 -7.852 5.560 1.00 0.00 C ATOM 1710 C ILE A 568 5.718 -7.970 6.974 1.00 0.00 C ATOM 1711 O ILE A 568 5.009 -7.619 7.914 1.00 0.00 O ATOM 1712 CB ILE A 568 3.760 -8.309 5.425 1.00 0.00 C ATOM 1713 CG1 ILE A 568 2.841 -7.099 5.303 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.320 -9.191 6.591 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.324 -6.055 4.323 1.00 0.00 C ATOM 0 H ILE A 568 5.661 -9.254 4.071 1.00 0.00 H new ATOM 0 HA ILE A 568 5.248 -6.790 5.317 1.00 0.00 H new ATOM 0 HB ILE A 568 3.690 -8.911 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 568 1.851 -7.437 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 568 2.732 -6.638 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.281 -9.488 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 568 3.949 -10.080 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.416 -8.635 7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.615 -5.227 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.301 -5.686 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.405 -6.498 3.330 1.00 0.00 H new ATOM 1727 N ILE A 569 6.932 -8.433 7.148 1.00 0.00 N ATOM 1728 CA ILE A 569 7.451 -8.512 8.481 1.00 0.00 C ATOM 1729 C ILE A 569 7.316 -7.101 9.014 1.00 0.00 C ATOM 1730 O ILE A 569 6.767 -6.874 10.092 1.00 0.00 O ATOM 1731 CB ILE A 569 8.936 -8.939 8.501 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.794 -8.010 7.617 1.00 0.00 C ATOM 1733 CG2 ILE A 569 9.078 -10.385 8.052 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.392 -6.844 8.370 1.00 0.00 C ATOM 0 H ILE A 569 7.557 -8.750 6.407 1.00 0.00 H new ATOM 0 HA ILE A 569 6.918 -9.256 9.073 1.00 0.00 H new ATOM 0 HB ILE A 569 9.298 -8.855 9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 569 10.598 -8.592 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.180 -7.629 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.130 -10.670 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.514 -11.032 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.692 -10.491 7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 569 10.982 -6.234 7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 569 9.593 -6.239 8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 569 11.033 -7.217 9.169 1.00 0.00 H new ATOM 1746 N ASP A 570 7.713 -6.154 8.163 1.00 0.00 N ATOM 1747 CA ASP A 570 7.536 -4.737 8.429 1.00 0.00 C ATOM 1748 C ASP A 570 7.600 -4.422 9.905 1.00 0.00 C ATOM 1749 O ASP A 570 6.617 -3.919 10.457 1.00 0.00 O ATOM 1750 CB ASP A 570 6.213 -4.243 7.843 1.00 0.00 C ATOM 1751 CG ASP A 570 5.074 -5.196 8.083 1.00 0.00 C ATOM 1752 OD1 ASP A 570 4.840 -5.565 9.253 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.416 -5.580 7.096 1.00 0.00 O ATOM 0 H ASP A 570 8.166 -6.354 7.271 1.00 0.00 H new ATOM 0 HA ASP A 570 8.361 -4.214 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.968 -3.274 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.331 -4.089 6.770 1.00 0.00 H new ATOM 1758 N GLY A 571 8.707 -4.710 10.571 1.00 0.00 N ATOM 1759 CA GLY A 571 8.731 -4.409 11.982 1.00 0.00 C ATOM 1760 C GLY A 571 8.311 -2.979 12.187 1.00 0.00 C ATOM 1761 O GLY A 571 7.451 -2.687 13.019 1.00 0.00 O ATOM 0 H GLY A 571 9.552 -5.127 10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.061 -5.079 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.732 -4.568 12.384 1.00 0.00 H new ATOM 1765 N ASP A 572 8.861 -2.089 11.369 1.00 0.00 N ATOM 1766 CA ASP A 572 8.466 -0.701 11.415 1.00 0.00 C ATOM 1767 C ASP A 572 7.872 -0.219 10.086 1.00 0.00 C ATOM 1768 O ASP A 572 7.239 0.836 10.050 1.00 0.00 O ATOM 1769 CB ASP A 572 9.664 0.172 11.789 1.00 0.00 C ATOM 1770 CG ASP A 572 10.335 -0.285 13.070 1.00 0.00 C ATOM 1771 OD1 ASP A 572 10.609 -1.497 13.197 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.585 0.568 13.946 1.00 0.00 O ATOM 0 H ASP A 572 9.575 -2.308 10.674 1.00 0.00 H new ATOM 0 HA ASP A 572 7.689 -0.613 12.174 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.390 0.156 10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.336 1.205 11.903 1.00 0.00 H new ATOM 1777 N LEU A 573 8.091 -0.955 8.974 1.00 0.00 N ATOM 1778 CA LEU A 573 7.570 -0.492 7.695 1.00 0.00 C ATOM 1779 C LEU A 573 7.007 -1.567 6.802 1.00 0.00 C ATOM 1780 O LEU A 573 7.613 -2.608 6.586 1.00 0.00 O ATOM 1781 CB LEU A 573 8.635 0.271 6.929 1.00 0.00 C ATOM 1782 CG LEU A 573 8.121 1.041 5.711 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.205 2.541 5.950 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.902 0.654 4.465 1.00 0.00 C ATOM 0 H LEU A 573 8.605 -1.835 8.945 1.00 0.00 H new ATOM 0 HA LEU A 573 6.733 0.153 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.118 0.974 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.400 -0.432 6.600 1.00 0.00 H new ATOM 0 HG LEU A 573 7.075 0.777 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.835 3.071 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.599 2.806 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.242 2.823 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.522 1.212 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.957 0.886 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.788 -0.414 4.281 1.00 0.00 H new ATOM 1796 N LEU A 574 5.891 -1.226 6.207 1.00 0.00 N ATOM 1797 CA LEU A 574 5.242 -2.047 5.219 1.00 0.00 C ATOM 1798 C LEU A 574 4.882 -1.108 4.076 1.00 0.00 C ATOM 1799 O LEU A 574 4.368 -0.018 4.326 1.00 0.00 O ATOM 1800 CB LEU A 574 3.987 -2.712 5.804 1.00 0.00 C ATOM 1801 CG LEU A 574 2.698 -2.544 4.985 1.00 0.00 C ATOM 1802 CD1 LEU A 574 2.867 -3.128 3.589 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.524 -3.193 5.702 1.00 0.00 C ATOM 0 H LEU A 574 5.400 -0.353 6.401 1.00 0.00 H new ATOM 0 HA LEU A 574 5.888 -2.856 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.184 -3.778 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.816 -2.308 6.802 1.00 0.00 H new ATOM 0 HG LEU A 574 2.492 -1.479 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 574 1.943 -2.998 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.680 -2.614 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.100 -4.190 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.619 -3.065 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.722 -4.256 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.388 -2.724 6.676 1.00 0.00 H new ATOM 1815 N ILE A 575 5.129 -1.490 2.839 1.00 0.00 N ATOM 1816 CA ILE A 575 4.787 -0.605 1.721 1.00 0.00 C ATOM 1817 C ILE A 575 4.059 -1.330 0.612 1.00 0.00 C ATOM 1818 O ILE A 575 4.451 -2.419 0.187 1.00 0.00 O ATOM 1819 CB ILE A 575 6.016 0.092 1.088 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.321 -0.450 1.669 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.933 1.598 1.280 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.551 0.304 1.209 1.00 0.00 C ATOM 0 H ILE A 575 5.553 -2.380 2.577 1.00 0.00 H new ATOM 0 HA ILE A 575 4.139 0.147 2.172 1.00 0.00 H new ATOM 0 HB ILE A 575 6.009 -0.125 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.268 -0.412 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.424 -1.499 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.805 2.071 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 575 5.028 1.976 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.906 1.828 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.439 -0.137 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.630 0.244 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.471 1.349 1.510 1.00 0.00 H new ATOM 1834 N LEU A 576 3.032 -0.675 0.107 1.00 0.00 N ATOM 1835 CA LEU A 576 2.267 -1.183 -1.001 1.00 0.00 C ATOM 1836 C LEU A 576 2.094 -0.056 -1.982 1.00 0.00 C ATOM 1837 O LEU A 576 1.753 1.059 -1.584 1.00 0.00 O ATOM 1838 CB LEU A 576 0.888 -1.666 -0.521 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.340 -1.014 -1.202 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.791 -1.843 -2.403 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.469 -0.875 -0.199 1.00 0.00 C ATOM 0 H LEU A 576 2.708 0.226 0.459 1.00 0.00 H new ATOM 0 HA LEU A 576 2.781 -2.027 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.831 -2.744 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.818 -1.490 0.552 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.060 -0.023 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.655 -1.369 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.022 -1.907 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.062 -2.846 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.331 -0.416 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.746 -1.860 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.143 -0.249 0.632 1.00 0.00 H new ATOM 1853 N LYS A 577 2.288 -0.311 -3.250 1.00 0.00 N ATOM 1854 CA LYS A 577 2.089 0.751 -4.212 1.00 0.00 C ATOM 1855 C LYS A 577 1.269 0.277 -5.388 1.00 0.00 C ATOM 1856 O LYS A 577 1.520 -0.790 -5.943 1.00 0.00 O ATOM 1857 CB LYS A 577 3.438 1.301 -4.666 1.00 0.00 C ATOM 1858 CG LYS A 577 4.269 1.831 -3.511 1.00 0.00 C ATOM 1859 CD LYS A 577 5.563 2.488 -3.978 1.00 0.00 C ATOM 1860 CE LYS A 577 5.335 3.437 -5.145 1.00 0.00 C ATOM 1861 NZ LYS A 577 5.627 2.789 -6.454 1.00 0.00 N ATOM 0 H LYS A 577 2.574 -1.211 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 577 1.530 1.554 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.993 0.515 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.276 2.100 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.681 2.554 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 577 4.505 1.012 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 577 6.011 3.035 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 577 6.275 1.717 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 577 4.302 3.784 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.968 4.317 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 4.957 3.135 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 6.597 3.021 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 5.531 1.758 -6.360 1.00 0.00 H new ATOM 1875 N LEU A 578 0.310 1.090 -5.792 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.512 0.762 -6.933 1.00 0.00 C ATOM 1877 C LEU A 578 -0.446 1.919 -7.914 1.00 0.00 C ATOM 1878 O LEU A 578 -0.617 3.090 -7.533 1.00 0.00 O ATOM 1879 CB LEU A 578 -1.958 0.506 -6.481 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.105 -0.170 -5.103 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -2.864 0.728 -4.128 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.802 -1.520 -5.235 1.00 0.00 C ATOM 0 H LEU A 578 0.085 1.979 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.150 -0.145 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.489 1.458 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.450 -0.117 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.104 -0.335 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -2.953 0.226 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.323 1.665 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -3.859 0.934 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.895 -1.979 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.794 -1.377 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.216 -2.170 -5.885 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.204 1.583 -9.175 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.089 2.591 -10.200 1.00 0.00 C ATOM 1896 C GLY A 579 -1.387 2.902 -10.884 1.00 0.00 C ATOM 1897 O GLY A 579 -1.435 3.783 -11.744 1.00 0.00 O ATOM 0 H GLY A 579 -0.086 0.624 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.307 3.505 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.634 2.259 -10.945 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.451 2.207 -10.515 1.00 0.00 N ATOM 1902 CA LYS A 580 -3.720 2.484 -11.138 1.00 0.00 C ATOM 1903 C LYS A 580 -4.243 3.808 -10.621 1.00 0.00 C ATOM 1904 O LYS A 580 -4.634 4.669 -11.408 1.00 0.00 O ATOM 1905 CB LYS A 580 -4.721 1.354 -10.884 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.975 1.069 -9.414 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.229 1.774 -8.925 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.389 1.679 -7.415 1.00 0.00 C ATOM 1909 NZ LYS A 580 -5.091 1.462 -6.716 1.00 0.00 N ATOM 0 H LYS A 580 -2.458 1.471 -9.809 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.584 2.549 -12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -5.667 1.607 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.355 0.445 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.076 -0.006 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.118 1.395 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.193 2.823 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.102 1.337 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -6.849 2.594 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -7.068 0.861 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.229 1.556 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -4.736 0.509 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -4.400 2.170 -7.039 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.208 3.999 -9.303 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.645 5.263 -8.739 1.00 0.00 C ATOM 1925 C TRP A 581 -3.762 5.785 -7.609 1.00 0.00 C ATOM 1926 O TRP A 581 -3.381 6.955 -7.608 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.080 5.148 -8.214 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.116 4.991 -9.286 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.065 5.482 -10.557 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.364 4.298 -9.172 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.200 5.127 -11.243 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.014 4.401 -10.415 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -8.993 3.595 -8.139 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.261 3.830 -10.654 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.231 3.029 -8.378 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -10.853 3.148 -9.627 1.00 0.00 C ATOM 0 H TRP A 581 -3.888 3.309 -8.624 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.578 5.977 -9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.140 4.295 -7.538 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.312 6.037 -7.627 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.252 6.064 -10.964 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.404 5.366 -12.213 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.520 3.496 -7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.743 3.922 -11.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.727 2.485 -7.588 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.820 2.692 -9.782 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.522 4.950 -6.596 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.785 5.402 -5.430 1.00 0.00 C ATOM 1949 C LYS A 582 -1.798 4.397 -4.883 1.00 0.00 C ATOM 1950 O LYS A 582 -1.879 3.193 -5.135 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.757 5.820 -4.316 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.215 5.480 -4.596 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.150 6.210 -3.644 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.591 5.767 -3.828 1.00 0.00 C ATOM 1955 NZ LYS A 582 -8.003 4.773 -2.798 1.00 0.00 N ATOM 0 H LYS A 582 -3.824 3.976 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.196 6.253 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.455 5.337 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -3.671 6.895 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.461 5.746 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.364 4.404 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -5.840 6.025 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.075 7.284 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -8.247 6.636 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -7.713 5.333 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -8.993 4.496 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -7.394 3.933 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -7.911 5.195 -1.852 1.00 0.00 H new ATOM 1969 N MET A 583 -0.930 4.910 -4.036 1.00 0.00 N ATOM 1970 CA MET A 583 0.016 4.110 -3.309 1.00 0.00 C ATOM 1971 C MET A 583 -0.322 4.282 -1.843 1.00 0.00 C ATOM 1972 O MET A 583 -0.550 5.397 -1.360 1.00 0.00 O ATOM 1973 CB MET A 583 1.458 4.550 -3.594 1.00 0.00 C ATOM 1974 CG MET A 583 2.360 4.596 -2.361 1.00 0.00 C ATOM 1975 SD MET A 583 4.058 5.083 -2.748 1.00 0.00 S ATOM 1976 CE MET A 583 3.830 6.036 -4.252 1.00 0.00 C ATOM 0 H MET A 583 -0.866 5.908 -3.835 1.00 0.00 H new ATOM 0 HA MET A 583 -0.047 3.065 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.895 3.869 -4.324 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.439 5.539 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.942 5.297 -1.638 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.368 3.615 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 583 4.778 6.487 -4.544 1.00 0.00 H new ATOM 0 HE2 MET A 583 3.479 5.380 -5.049 1.00 0.00 H new ATOM 0 HE3 MET A 583 3.094 6.821 -4.078 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.351 3.177 -1.151 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.658 3.178 0.254 1.00 0.00 C ATOM 1988 C LYS A 584 0.503 2.573 1.005 1.00 0.00 C ATOM 1989 O LYS A 584 1.012 1.513 0.648 1.00 0.00 O ATOM 1990 CB LYS A 584 -1.948 2.366 0.466 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.149 1.803 1.867 1.00 0.00 C ATOM 1992 CD LYS A 584 -1.967 2.870 2.930 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.216 3.706 3.086 1.00 0.00 C ATOM 1994 NZ LYS A 584 -2.966 5.134 2.756 1.00 0.00 N ATOM 0 H LYS A 584 -0.164 2.254 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 584 -0.815 4.190 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.800 3.001 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -1.956 1.538 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.148 1.375 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.440 0.993 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.720 2.400 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.127 3.512 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.000 3.314 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.581 3.628 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -3.845 5.570 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -2.641 5.635 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.237 5.197 2.017 1.00 0.00 H new ATOM 2008 N LEU A 585 0.889 3.235 2.063 1.00 0.00 N ATOM 2009 CA LEU A 585 1.959 2.770 2.896 1.00 0.00 C ATOM 2010 C LEU A 585 1.382 2.523 4.264 1.00 0.00 C ATOM 2011 O LEU A 585 0.592 3.320 4.766 1.00 0.00 O ATOM 2012 CB LEU A 585 3.074 3.812 2.952 1.00 0.00 C ATOM 2013 CG LEU A 585 4.427 3.294 3.437 1.00 0.00 C ATOM 2014 CD1 LEU A 585 5.558 4.117 2.839 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.500 3.317 4.956 1.00 0.00 C ATOM 0 H LEU A 585 0.468 4.112 2.370 1.00 0.00 H new ATOM 0 HA LEU A 585 2.394 1.853 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.202 4.237 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.758 4.624 3.607 1.00 0.00 H new ATOM 0 HG LEU A 585 4.536 2.262 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 585 6.514 3.734 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 585 5.522 4.049 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.449 5.159 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.472 2.944 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 585 4.367 4.339 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.713 2.685 5.368 1.00 0.00 H new ATOM 2027 N VAL A 586 1.742 1.414 4.849 1.00 0.00 N ATOM 2028 CA VAL A 586 1.217 1.067 6.139 1.00 0.00 C ATOM 2029 C VAL A 586 2.312 0.608 7.080 1.00 0.00 C ATOM 2030 O VAL A 586 3.192 -0.161 6.696 1.00 0.00 O ATOM 2031 CB VAL A 586 0.151 -0.039 6.000 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.288 -0.560 7.363 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.044 0.478 5.214 1.00 0.00 C ATOM 0 H VAL A 586 2.395 0.737 4.454 1.00 0.00 H new ATOM 0 HA VAL A 586 0.760 1.962 6.562 1.00 0.00 H new ATOM 0 HB VAL A 586 0.597 -0.871 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -1.040 -1.338 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.573 -0.973 7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.712 0.258 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.789 -0.312 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.481 1.330 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -0.720 0.787 4.220 1.00 0.00 H new ATOM 2043 N SER A 587 2.234 1.046 8.325 1.00 0.00 N ATOM 2044 CA SER A 587 3.205 0.628 9.324 1.00 0.00 C ATOM 2045 C SER A 587 2.506 -0.352 10.252 1.00 0.00 C ATOM 2046 O SER A 587 1.359 -0.126 10.638 1.00 0.00 O ATOM 2047 CB SER A 587 3.726 1.831 10.112 1.00 0.00 C ATOM 2048 OG SER A 587 4.930 2.325 9.551 1.00 0.00 O ATOM 0 H SER A 587 1.516 1.685 8.667 1.00 0.00 H new ATOM 0 HA SER A 587 4.064 0.159 8.845 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.973 2.619 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.895 1.544 11.150 1.00 0.00 H new ATOM 0 HG SER A 587 5.671 1.729 9.789 1.00 0.00 H new ATOM 2054 N ILE A 588 3.161 -1.455 10.585 1.00 0.00 N ATOM 2055 CA ILE A 588 2.533 -2.451 11.432 1.00 0.00 C ATOM 2056 C ILE A 588 3.434 -2.937 12.547 1.00 0.00 C ATOM 2057 O ILE A 588 4.617 -3.212 12.350 1.00 0.00 O ATOM 2058 CB ILE A 588 2.029 -3.655 10.605 1.00 0.00 C ATOM 2059 CG1 ILE A 588 2.640 -3.649 9.205 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.513 -3.630 10.505 1.00 0.00 C ATOM 2061 CD1 ILE A 588 2.184 -4.809 8.348 1.00 0.00 C ATOM 0 H ILE A 588 4.110 -1.678 10.286 1.00 0.00 H new ATOM 0 HA ILE A 588 1.683 -1.950 11.895 1.00 0.00 H new ATOM 0 HB ILE A 588 2.339 -4.567 11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 588 2.381 -2.715 8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 588 3.726 -3.674 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.173 -4.484 9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.082 -3.680 11.505 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.196 -2.707 10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 588 2.655 -4.744 7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.467 -5.747 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 588 1.101 -4.773 8.233 1.00 0.00 H new ATOM 2073 N VAL A 589 2.834 -3.056 13.720 1.00 0.00 N ATOM 2074 CA VAL A 589 3.535 -3.531 14.903 1.00 0.00 C ATOM 2075 C VAL A 589 2.780 -4.684 15.553 1.00 0.00 C ATOM 2076 O VAL A 589 1.555 -4.653 15.669 1.00 0.00 O ATOM 2077 CB VAL A 589 3.733 -2.407 15.937 1.00 0.00 C ATOM 2078 CG1 VAL A 589 4.830 -1.454 15.487 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.429 -1.660 16.170 1.00 0.00 C ATOM 0 H VAL A 589 1.853 -2.828 13.879 1.00 0.00 H new ATOM 0 HA VAL A 589 4.515 -3.877 14.574 1.00 0.00 H new ATOM 0 HB VAL A 589 4.040 -2.857 16.881 1.00 0.00 H new ATOM 0 HG11 VAL A 589 4.955 -0.667 16.230 1.00 0.00 H new ATOM 0 HG12 VAL A 589 5.766 -2.002 15.378 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.556 -1.009 14.530 1.00 0.00 H new ATOM 0 HG21 VAL A 589 2.588 -0.870 16.904 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.088 -1.221 15.232 1.00 0.00 H new ATOM 0 HG23 VAL A 589 1.674 -2.353 16.542 1.00 0.00 H new ATOM 2089 N SER A 590 3.523 -5.706 15.968 1.00 0.00 N ATOM 2090 CA SER A 590 2.929 -6.878 16.599 1.00 0.00 C ATOM 2091 C SER A 590 2.103 -6.490 17.820 1.00 0.00 C ATOM 2092 O SER A 590 2.363 -5.474 18.461 1.00 0.00 O ATOM 2093 CB SER A 590 4.021 -7.870 17.004 1.00 0.00 C ATOM 2094 OG SER A 590 3.488 -8.922 17.789 1.00 0.00 O ATOM 0 H SER A 590 4.538 -5.745 15.878 1.00 0.00 H new ATOM 0 HA SER A 590 2.265 -7.348 15.874 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.493 -8.281 16.111 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.798 -7.351 17.565 1.00 0.00 H new ATOM 0 HG SER A 590 4.205 -9.543 18.034 1.00 0.00 H new