USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 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 Set 1.1: A 528 ASN :FLIP amide:sc= -2.84! C(o=-4.3!,f=-2.8!) USER MOD Set 1.2: A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 494 THR OG1 : rot 28:sc= 0.147 USER MOD Single : A 497 LYS NZ :NH3+ 155:sc= -0.0486 (180deg=-0.291) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 85:sc= -4.64! USER MOD Single : A 506 SER OG : rot -41:sc= 0.0638 USER MOD Single : A 507 LYS NZ :NH3+ 144:sc= -4.36! (180deg=-8!) USER MOD Single : A 511 SER OG : rot 92:sc= 1.42 USER MOD Single : A 517 SER OG : rot 180:sc= -3.15! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 180:sc= -1.07 USER MOD Single : A 522 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0289 F(o=-0.69,f=-0.029) USER MOD Single : A 527 ASN :FLIP amide:sc= -2.74 F(o=-4.6!,f=-2.7) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot -135:sc= -1.84! USER MOD Single : A 552 THR OG1 : rot -100:sc= -3.83! USER MOD Single : A 554 THR OG1 : rot 30:sc= -3.39! USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 ASN : amide:sc= -3.15 K(o=-3.1,f=-5.4!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 171:sc=-0.00361 (180deg=-0.122) USER MOD Single : A 564 THR OG1 : rot -139:sc= 0.125 USER MOD Single : A 565 GLN :FLIP amide:sc= -1.49 F(o=-3.9!,f=-1.5) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 161:sc= -0.0633 (180deg=-0.445) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 MET CE :methyl 165:sc= -2.11 (180deg=-2.18) USER MOD Single : A 584 LYS NZ :NH3+ -128:sc= -10.3! (180deg=-15.8!) USER MOD Single : A 587 SER OG : rot -66:sc= 2.24 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.790 8.589 1.067 1.00 0.00 N ATOM 524 CA ALA A 491 -1.636 8.093 2.144 1.00 0.00 C ATOM 525 C ALA A 491 -0.843 7.203 3.095 1.00 0.00 C ATOM 526 O ALA A 491 -0.088 6.335 2.657 1.00 0.00 O ATOM 527 CB ALA A 491 -2.819 7.339 1.564 1.00 0.00 C ATOM 0 HA ALA A 491 -2.006 8.944 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.448 6.970 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.400 8.007 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.459 6.497 0.972 1.00 0.00 H new ATOM 533 N ARG A 492 -1.036 7.398 4.396 1.00 0.00 N ATOM 534 CA ARG A 492 -0.363 6.591 5.402 1.00 0.00 C ATOM 535 C ARG A 492 -1.344 6.192 6.494 1.00 0.00 C ATOM 536 O ARG A 492 -2.110 7.021 6.986 1.00 0.00 O ATOM 537 CB ARG A 492 0.818 7.353 6.004 1.00 0.00 C ATOM 538 CG ARG A 492 1.583 6.557 7.050 1.00 0.00 C ATOM 539 CD ARG A 492 2.264 5.341 6.442 1.00 0.00 C ATOM 540 NE ARG A 492 3.305 4.807 7.317 1.00 0.00 N ATOM 541 CZ ARG A 492 4.444 5.440 7.585 1.00 0.00 C ATOM 542 NH1 ARG A 492 4.695 6.628 7.046 1.00 0.00 N ATOM 543 NH2 ARG A 492 5.338 4.885 8.392 1.00 0.00 N ATOM 0 H ARG A 492 -1.657 8.112 4.777 1.00 0.00 H new ATOM 0 HA ARG A 492 0.019 5.689 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.502 7.639 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.453 8.275 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 492 2.331 7.196 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.899 6.236 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.521 4.568 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.701 5.612 5.481 1.00 0.00 H new ATOM 0 HE ARG A 492 3.149 3.896 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 492 4.013 7.060 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 492 5.570 7.108 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 492 5.153 3.972 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 492 6.211 5.371 8.597 1.00 0.00 H new ATOM 557 N VAL A 493 -1.312 4.932 6.872 1.00 0.00 N ATOM 558 CA VAL A 493 -2.191 4.425 7.909 1.00 0.00 C ATOM 559 C VAL A 493 -1.458 3.500 8.880 1.00 0.00 C ATOM 560 O VAL A 493 -0.395 2.970 8.553 1.00 0.00 O ATOM 561 CB VAL A 493 -3.366 3.663 7.296 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.149 4.555 6.346 1.00 0.00 C ATOM 563 CG2 VAL A 493 -2.874 2.413 6.589 1.00 0.00 C ATOM 0 H VAL A 493 -0.683 4.234 6.475 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.555 5.292 8.461 1.00 0.00 H new ATOM 0 HB VAL A 493 -4.038 3.358 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -4.980 3.993 5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.534 5.417 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -3.494 4.896 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.722 1.881 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.180 2.693 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -2.366 1.766 7.305 1.00 0.00 H new ATOM 573 N THR A 494 -2.059 3.241 10.042 1.00 0.00 N ATOM 574 CA THR A 494 -1.466 2.300 10.987 1.00 0.00 C ATOM 575 C THR A 494 -2.402 1.100 11.151 1.00 0.00 C ATOM 576 O THR A 494 -3.608 1.260 11.332 1.00 0.00 O ATOM 577 CB THR A 494 -1.230 2.975 12.340 1.00 0.00 C ATOM 578 OG1 THR A 494 -2.459 3.359 12.929 1.00 0.00 O ATOM 579 CG2 THR A 494 -0.359 4.208 12.249 1.00 0.00 C ATOM 0 H THR A 494 -2.938 3.661 10.346 1.00 0.00 H new ATOM 0 HA THR A 494 -0.503 1.963 10.604 1.00 0.00 H new ATOM 0 HB THR A 494 -0.716 2.231 12.949 1.00 0.00 H new ATOM 0 HG1 THR A 494 -3.172 2.763 12.618 1.00 0.00 H new ATOM 0 HG21 THR A 494 -0.232 4.638 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 494 0.616 3.936 11.844 1.00 0.00 H new ATOM 0 HG23 THR A 494 -0.832 4.940 11.595 1.00 0.00 H new ATOM 587 N LEU A 495 -1.833 -0.098 11.079 1.00 0.00 N ATOM 588 CA LEU A 495 -2.595 -1.334 11.209 1.00 0.00 C ATOM 589 C LEU A 495 -1.855 -2.333 12.105 1.00 0.00 C ATOM 590 O LEU A 495 -0.654 -2.194 12.330 1.00 0.00 O ATOM 591 CB LEU A 495 -2.868 -1.897 9.799 1.00 0.00 C ATOM 592 CG LEU A 495 -2.634 -3.398 9.582 1.00 0.00 C ATOM 593 CD1 LEU A 495 -3.935 -4.089 9.206 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.588 -3.625 8.501 1.00 0.00 C ATOM 0 H LEU A 495 -0.834 -0.239 10.929 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.552 -1.139 11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -3.904 -1.677 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -2.242 -1.353 9.092 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.268 -3.826 10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.752 -5.153 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.662 -3.956 10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.325 -3.654 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.436 -4.695 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -1.929 -3.182 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -0.648 -3.161 8.801 1.00 0.00 H new ATOM 606 N PRO A 496 -2.548 -3.368 12.618 1.00 0.00 N ATOM 607 CA PRO A 496 -1.922 -4.391 13.461 1.00 0.00 C ATOM 608 C PRO A 496 -1.009 -5.309 12.639 1.00 0.00 C ATOM 609 O PRO A 496 -1.453 -5.959 11.693 1.00 0.00 O ATOM 610 CB PRO A 496 -3.115 -5.179 14.030 1.00 0.00 C ATOM 611 CG PRO A 496 -4.331 -4.388 13.664 1.00 0.00 C ATOM 612 CD PRO A 496 -3.973 -3.639 12.415 1.00 0.00 C ATOM 0 HA PRO A 496 -1.288 -3.960 14.236 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.159 -6.183 13.608 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.031 -5.291 15.111 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.186 -5.042 13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.607 -3.702 14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.151 -4.233 11.518 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.552 -2.721 12.310 1.00 0.00 H new ATOM 620 N LYS A 497 0.270 -5.331 12.998 1.00 0.00 N ATOM 621 CA LYS A 497 1.278 -6.134 12.299 1.00 0.00 C ATOM 622 C LYS A 497 0.939 -7.622 12.241 1.00 0.00 C ATOM 623 O LYS A 497 1.362 -8.323 11.321 1.00 0.00 O ATOM 624 CB LYS A 497 2.633 -5.958 12.991 1.00 0.00 C ATOM 625 CG LYS A 497 3.795 -6.554 12.215 1.00 0.00 C ATOM 626 CD LYS A 497 4.178 -7.925 12.749 1.00 0.00 C ATOM 627 CE LYS A 497 5.687 -8.114 12.768 1.00 0.00 C ATOM 628 NZ LYS A 497 6.344 -7.222 13.763 1.00 0.00 N ATOM 0 H LYS A 497 0.642 -4.794 13.782 1.00 0.00 H new ATOM 0 HA LYS A 497 1.307 -5.774 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.817 -4.895 13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.591 -6.420 13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.527 -6.635 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.654 -5.886 12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 497 3.782 -8.048 13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 497 3.721 -8.698 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 497 5.920 -9.153 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 497 6.091 -7.912 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 7.249 -7.639 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 6.516 -6.290 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 5.726 -7.112 14.592 1.00 0.00 H new ATOM 642 N SER A 498 0.233 -8.112 13.242 1.00 0.00 N ATOM 643 CA SER A 498 -0.093 -9.539 13.315 1.00 0.00 C ATOM 644 C SER A 498 -0.963 -10.039 12.153 1.00 0.00 C ATOM 645 O SER A 498 -0.666 -11.078 11.561 1.00 0.00 O ATOM 646 CB SER A 498 -0.795 -9.840 14.640 1.00 0.00 C ATOM 647 OG SER A 498 -0.368 -11.083 15.172 1.00 0.00 O ATOM 0 H SER A 498 -0.128 -7.554 14.016 1.00 0.00 H new ATOM 0 HA SER A 498 0.855 -10.072 13.245 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.587 -9.044 15.355 1.00 0.00 H new ATOM 0 HB3 SER A 498 -1.874 -9.857 14.488 1.00 0.00 H new ATOM 0 HG SER A 498 -0.830 -11.252 16.020 1.00 0.00 H new ATOM 653 N LEU A 499 -2.044 -9.331 11.845 1.00 0.00 N ATOM 654 CA LEU A 499 -2.952 -9.751 10.774 1.00 0.00 C ATOM 655 C LEU A 499 -2.382 -9.524 9.370 1.00 0.00 C ATOM 656 O LEU A 499 -2.966 -9.970 8.383 1.00 0.00 O ATOM 657 CB LEU A 499 -4.288 -9.024 10.911 1.00 0.00 C ATOM 658 CG LEU A 499 -4.254 -7.549 10.519 1.00 0.00 C ATOM 659 CD1 LEU A 499 -4.683 -7.375 9.069 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.140 -6.731 11.446 1.00 0.00 C ATOM 0 H LEU A 499 -2.315 -8.468 12.316 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.090 -10.826 10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.028 -9.533 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.625 -9.104 11.944 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.231 -7.187 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.653 -6.318 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.006 -7.930 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -5.698 -7.752 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.104 -5.682 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.167 -7.091 11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.785 -6.833 12.472 1.00 0.00 H new ATOM 672 N VAL A 500 -1.257 -8.825 9.276 1.00 0.00 N ATOM 673 CA VAL A 500 -0.644 -8.544 7.981 1.00 0.00 C ATOM 674 C VAL A 500 0.057 -9.777 7.411 1.00 0.00 C ATOM 675 O VAL A 500 0.244 -9.909 6.202 1.00 0.00 O ATOM 676 CB VAL A 500 0.347 -7.363 8.083 1.00 0.00 C ATOM 677 CG1 VAL A 500 1.684 -7.800 8.667 1.00 0.00 C ATOM 678 CG2 VAL A 500 0.533 -6.706 6.726 1.00 0.00 C ATOM 0 H VAL A 500 -0.752 -8.444 10.076 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.446 -8.267 7.297 1.00 0.00 H new ATOM 0 HB VAL A 500 -0.079 -6.629 8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 500 2.354 -6.942 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.529 -8.206 9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 500 2.127 -8.565 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.234 -5.876 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.925 -7.437 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.426 -6.333 6.368 1.00 0.00 H new ATOM 688 N TYR A 501 0.454 -10.656 8.313 1.00 0.00 N ATOM 689 CA TYR A 501 1.162 -11.887 7.981 1.00 0.00 C ATOM 690 C TYR A 501 0.447 -12.759 6.940 1.00 0.00 C ATOM 691 O TYR A 501 1.090 -13.558 6.266 1.00 0.00 O ATOM 692 CB TYR A 501 1.406 -12.702 9.253 1.00 0.00 C ATOM 693 CG TYR A 501 2.730 -12.405 9.923 1.00 0.00 C ATOM 694 CD1 TYR A 501 3.311 -11.145 9.836 1.00 0.00 C ATOM 695 CD2 TYR A 501 3.400 -13.387 10.644 1.00 0.00 C ATOM 696 CE1 TYR A 501 4.520 -10.872 10.447 1.00 0.00 C ATOM 697 CE2 TYR A 501 4.609 -13.121 11.258 1.00 0.00 C ATOM 698 CZ TYR A 501 5.164 -11.863 11.156 1.00 0.00 C ATOM 699 OH TYR A 501 6.369 -11.595 11.766 1.00 0.00 O ATOM 0 H TYR A 501 0.293 -10.536 9.313 1.00 0.00 H new ATOM 0 HA TYR A 501 2.105 -11.581 7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 501 0.600 -12.506 9.960 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.363 -13.763 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 501 2.809 -10.366 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 501 2.969 -14.374 10.725 1.00 0.00 H new ATOM 0 HE1 TYR A 501 4.958 -9.888 10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 501 5.117 -13.895 11.815 1.00 0.00 H new ATOM 0 HH TYR A 501 6.689 -12.399 12.225 1.00 0.00 H new ATOM 709 N ASP A 502 -0.879 -12.699 6.884 1.00 0.00 N ATOM 710 CA ASP A 502 -1.636 -13.578 5.979 1.00 0.00 C ATOM 711 C ASP A 502 -1.630 -13.185 4.483 1.00 0.00 C ATOM 712 O ASP A 502 -1.375 -14.041 3.637 1.00 0.00 O ATOM 713 CB ASP A 502 -3.085 -13.671 6.459 1.00 0.00 C ATOM 714 CG ASP A 502 -3.660 -15.065 6.296 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.643 -15.585 5.160 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.126 -15.637 7.304 1.00 0.00 O ATOM 0 H ASP A 502 -1.451 -12.065 7.442 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.117 -14.535 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.137 -13.380 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.696 -12.961 5.901 1.00 0.00 H new ATOM 721 N LYS A 503 -1.932 -11.926 4.137 1.00 0.00 N ATOM 722 CA LYS A 503 -1.970 -11.519 2.736 1.00 0.00 C ATOM 723 C LYS A 503 -0.976 -10.408 2.423 1.00 0.00 C ATOM 724 O LYS A 503 -0.831 -9.447 3.175 1.00 0.00 O ATOM 725 CB LYS A 503 -3.384 -11.092 2.346 1.00 0.00 C ATOM 726 CG LYS A 503 -4.065 -12.048 1.379 1.00 0.00 C ATOM 727 CD LYS A 503 -5.575 -12.024 1.544 1.00 0.00 C ATOM 728 CE LYS A 503 -6.220 -13.263 0.944 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.560 -13.534 1.536 1.00 0.00 N ATOM 0 H LYS A 503 -2.150 -11.184 4.802 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.677 -12.386 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -3.991 -11.008 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.344 -10.100 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -3.805 -11.778 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.696 -13.060 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -5.826 -11.958 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -5.980 -11.133 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.319 -13.135 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -5.571 -14.124 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -7.966 -14.387 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -7.463 -13.681 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -8.187 -12.723 1.361 1.00 0.00 H new ATOM 743 N THR A 504 -0.292 -10.552 1.309 1.00 0.00 N ATOM 744 CA THR A 504 0.683 -9.555 0.884 1.00 0.00 C ATOM 745 C THR A 504 0.039 -8.270 0.341 1.00 0.00 C ATOM 746 O THR A 504 0.015 -7.242 1.015 1.00 0.00 O ATOM 747 CB THR A 504 1.571 -10.153 -0.201 1.00 0.00 C ATOM 748 OG1 THR A 504 2.171 -11.350 0.247 1.00 0.00 O ATOM 749 CG2 THR A 504 2.673 -9.225 -0.661 1.00 0.00 C ATOM 0 H THR A 504 -0.388 -11.347 0.677 1.00 0.00 H new ATOM 0 HA THR A 504 1.260 -9.281 1.767 1.00 0.00 H new ATOM 0 HB THR A 504 0.906 -10.337 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.559 -12.100 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.264 -9.717 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.235 -8.313 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.315 -8.976 0.184 1.00 0.00 H new ATOM 757 N PHE A 505 -0.462 -8.343 -0.896 1.00 0.00 N ATOM 758 CA PHE A 505 -1.086 -7.197 -1.557 1.00 0.00 C ATOM 759 C PHE A 505 -2.489 -6.872 -1.044 1.00 0.00 C ATOM 760 O PHE A 505 -2.757 -5.762 -0.586 1.00 0.00 O ATOM 761 CB PHE A 505 -1.087 -7.372 -3.085 1.00 0.00 C ATOM 762 CG PHE A 505 -0.287 -6.310 -3.780 1.00 0.00 C ATOM 763 CD1 PHE A 505 -0.804 -5.036 -3.944 1.00 0.00 C ATOM 764 CD2 PHE A 505 0.988 -6.579 -4.251 1.00 0.00 C ATOM 765 CE1 PHE A 505 -0.065 -4.051 -4.569 1.00 0.00 C ATOM 766 CE2 PHE A 505 1.732 -5.595 -4.873 1.00 0.00 C ATOM 767 CZ PHE A 505 1.203 -4.331 -5.032 1.00 0.00 C ATOM 0 H PHE A 505 -0.446 -9.192 -1.462 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.468 -6.337 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.682 -8.352 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -2.114 -7.348 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -1.795 -4.810 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.405 -7.568 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -0.480 -3.062 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 505 2.726 -5.815 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.782 -3.561 -5.519 1.00 0.00 H new ATOM 777 N SER A 506 -3.394 -7.832 -1.197 1.00 0.00 N ATOM 778 CA SER A 506 -4.796 -7.661 -0.837 1.00 0.00 C ATOM 779 C SER A 506 -5.035 -7.095 0.563 1.00 0.00 C ATOM 780 O SER A 506 -5.457 -5.951 0.713 1.00 0.00 O ATOM 781 CB SER A 506 -5.509 -9.010 -0.948 1.00 0.00 C ATOM 782 OG SER A 506 -6.863 -8.847 -1.333 1.00 0.00 O ATOM 0 H SER A 506 -3.175 -8.754 -1.575 1.00 0.00 H new ATOM 0 HA SER A 506 -5.194 -6.924 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 506 -4.995 -9.637 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.461 -9.529 0.009 1.00 0.00 H new ATOM 0 HG SER A 506 -7.248 -8.081 -0.859 1.00 0.00 H new ATOM 788 N LYS A 507 -4.809 -7.907 1.582 1.00 0.00 N ATOM 789 CA LYS A 507 -5.074 -7.486 2.954 1.00 0.00 C ATOM 790 C LYS A 507 -4.472 -6.128 3.274 1.00 0.00 C ATOM 791 O LYS A 507 -5.152 -5.262 3.826 1.00 0.00 O ATOM 792 CB LYS A 507 -4.599 -8.536 3.949 1.00 0.00 C ATOM 793 CG LYS A 507 -3.094 -8.712 3.992 1.00 0.00 C ATOM 794 CD LYS A 507 -2.378 -7.711 4.897 1.00 0.00 C ATOM 795 CE LYS A 507 -3.250 -7.198 6.040 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.601 -6.079 6.777 1.00 0.00 N ATOM 0 H LYS A 507 -4.445 -8.856 1.490 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.155 -7.383 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.951 -8.263 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.059 -9.492 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -2.866 -9.722 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.698 -8.620 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.486 -8.181 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.043 -6.865 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.208 -6.863 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.459 -8.014 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -3.324 -5.393 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -2.114 -6.453 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -1.911 -5.609 6.157 1.00 0.00 H new ATOM 810 N VAL A 508 -3.210 -5.937 2.942 1.00 0.00 N ATOM 811 CA VAL A 508 -2.544 -4.675 3.221 1.00 0.00 C ATOM 812 C VAL A 508 -3.310 -3.483 2.653 1.00 0.00 C ATOM 813 O VAL A 508 -3.683 -2.568 3.388 1.00 0.00 O ATOM 814 CB VAL A 508 -1.114 -4.653 2.648 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.465 -3.294 2.869 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.269 -5.754 3.265 1.00 0.00 C ATOM 0 H VAL A 508 -2.626 -6.634 2.481 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.507 -4.590 4.307 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.177 -4.832 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.544 -3.301 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.055 -2.524 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.419 -3.082 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.736 -5.719 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.217 -5.611 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.719 -6.723 3.048 1.00 0.00 H new ATOM 826 N LEU A 509 -3.503 -3.480 1.348 1.00 0.00 N ATOM 827 CA LEU A 509 -4.164 -2.375 0.664 1.00 0.00 C ATOM 828 C LEU A 509 -5.571 -2.031 1.172 1.00 0.00 C ATOM 829 O LEU A 509 -5.810 -0.898 1.588 1.00 0.00 O ATOM 830 CB LEU A 509 -4.188 -2.628 -0.850 1.00 0.00 C ATOM 831 CG LEU A 509 -5.245 -3.610 -1.347 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.549 -2.888 -1.627 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.754 -4.336 -2.588 1.00 0.00 C ATOM 0 H LEU A 509 -3.209 -4.237 0.731 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.562 -1.497 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.340 -1.674 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.208 -2.996 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.425 -4.350 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.292 -3.603 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.907 -2.415 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.387 -2.126 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.520 -5.032 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.546 -3.611 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.843 -4.886 -2.351 1.00 0.00 H new ATOM 845 N TRP A 510 -6.515 -2.959 1.076 1.00 0.00 N ATOM 846 CA TRP A 510 -7.895 -2.664 1.464 1.00 0.00 C ATOM 847 C TRP A 510 -8.121 -2.549 2.966 1.00 0.00 C ATOM 848 O TRP A 510 -8.735 -1.600 3.452 1.00 0.00 O ATOM 849 CB TRP A 510 -8.851 -3.712 0.882 1.00 0.00 C ATOM 850 CG TRP A 510 -8.556 -5.110 1.326 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.811 -6.035 0.661 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.012 -5.748 2.527 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.759 -7.206 1.379 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.491 -7.055 2.528 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.804 -5.339 3.604 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.737 -7.955 3.561 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.048 -6.234 4.629 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.515 -7.529 4.602 1.00 0.00 C ATOM 0 H TRP A 510 -6.358 -3.909 0.739 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.103 -1.678 1.048 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.872 -3.458 1.168 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.804 -3.669 -0.206 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.330 -5.872 -0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.257 -8.050 1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.218 -4.342 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.328 -8.954 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.660 -5.929 5.465 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.722 -8.204 5.419 1.00 0.00 H new ATOM 869 N SER A 511 -7.673 -3.548 3.677 1.00 0.00 N ATOM 870 CA SER A 511 -7.863 -3.631 5.109 1.00 0.00 C ATOM 871 C SER A 511 -7.161 -2.528 5.867 1.00 0.00 C ATOM 872 O SER A 511 -7.707 -1.959 6.812 1.00 0.00 O ATOM 873 CB SER A 511 -7.383 -4.989 5.620 1.00 0.00 C ATOM 874 OG SER A 511 -8.156 -5.420 6.726 1.00 0.00 O ATOM 0 H SER A 511 -7.161 -4.336 3.280 1.00 0.00 H new ATOM 0 HA SER A 511 -8.931 -3.512 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.446 -5.726 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.334 -4.922 5.909 1.00 0.00 H new ATOM 0 HG SER A 511 -8.907 -5.963 6.408 1.00 0.00 H new ATOM 880 N ALA A 512 -5.912 -2.315 5.525 1.00 0.00 N ATOM 881 CA ALA A 512 -5.086 -1.384 6.247 1.00 0.00 C ATOM 882 C ALA A 512 -5.387 0.098 6.093 1.00 0.00 C ATOM 883 O ALA A 512 -5.792 0.745 7.060 1.00 0.00 O ATOM 884 CB ALA A 512 -3.626 -1.638 5.908 1.00 0.00 C ATOM 0 H ALA A 512 -5.446 -2.779 4.745 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.324 -1.587 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -2.998 -0.934 6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.359 -2.656 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.473 -1.506 4.837 1.00 0.00 H new ATOM 890 N GLY A 513 -5.061 0.668 4.946 1.00 0.00 N ATOM 891 CA GLY A 513 -5.185 2.110 4.825 1.00 0.00 C ATOM 892 C GLY A 513 -6.174 2.720 3.877 1.00 0.00 C ATOM 893 O GLY A 513 -6.606 3.850 4.109 1.00 0.00 O ATOM 0 H GLY A 513 -4.722 0.180 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.414 2.496 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.202 2.494 4.553 1.00 0.00 H new ATOM 897 N LEU A 514 -6.400 2.106 2.736 1.00 0.00 N ATOM 898 CA LEU A 514 -7.184 2.804 1.730 1.00 0.00 C ATOM 899 C LEU A 514 -8.603 2.361 1.452 1.00 0.00 C ATOM 900 O LEU A 514 -9.454 3.233 1.260 1.00 0.00 O ATOM 901 CB LEU A 514 -6.403 2.788 0.414 1.00 0.00 C ATOM 902 CG LEU A 514 -5.475 3.985 0.165 1.00 0.00 C ATOM 903 CD1 LEU A 514 -6.098 4.945 -0.836 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.137 4.719 1.458 1.00 0.00 C ATOM 0 H LEU A 514 -6.073 1.173 2.485 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.324 3.790 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.805 1.877 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -7.117 2.730 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.545 3.594 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -5.426 5.787 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -6.267 4.427 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -7.049 5.310 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -4.478 5.559 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.054 5.088 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -4.637 4.036 2.144 1.00 0.00 H new ATOM 916 N VAL A 515 -8.894 1.081 1.285 1.00 0.00 N ATOM 917 CA VAL A 515 -10.254 0.800 0.862 1.00 0.00 C ATOM 918 C VAL A 515 -10.845 -0.579 1.207 1.00 0.00 C ATOM 919 O VAL A 515 -10.171 -1.489 1.655 1.00 0.00 O ATOM 920 CB VAL A 515 -10.303 1.099 -0.663 1.00 0.00 C ATOM 921 CG1 VAL A 515 -9.143 0.420 -1.376 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.633 0.746 -1.318 1.00 0.00 C ATOM 0 H VAL A 515 -8.271 0.285 1.421 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.911 1.442 1.448 1.00 0.00 H new ATOM 0 HB VAL A 515 -10.205 2.180 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -9.193 0.640 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -8.201 0.791 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.203 -0.658 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.589 0.983 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.830 -0.319 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -12.433 1.321 -0.851 1.00 0.00 H new ATOM 932 N ALA A 516 -12.141 -0.682 0.914 1.00 0.00 N ATOM 933 CA ALA A 516 -12.977 -1.866 1.062 1.00 0.00 C ATOM 934 C ALA A 516 -12.538 -2.933 0.065 1.00 0.00 C ATOM 935 O ALA A 516 -13.221 -3.933 -0.153 1.00 0.00 O ATOM 936 CB ALA A 516 -14.447 -1.520 0.879 1.00 0.00 C ATOM 0 H ALA A 516 -12.665 0.111 0.544 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.856 -2.258 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -15.050 -2.421 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.744 -0.786 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.602 -1.105 -0.117 1.00 0.00 H new ATOM 942 N SER A 517 -11.468 -2.606 -0.641 1.00 0.00 N ATOM 943 CA SER A 517 -10.942 -3.343 -1.747 1.00 0.00 C ATOM 944 C SER A 517 -10.572 -4.793 -1.461 1.00 0.00 C ATOM 945 O SER A 517 -10.022 -5.443 -2.344 1.00 0.00 O ATOM 946 CB SER A 517 -9.699 -2.597 -2.244 1.00 0.00 C ATOM 947 OG SER A 517 -9.956 -1.909 -3.454 1.00 0.00 O ATOM 0 H SER A 517 -10.922 -1.769 -0.435 1.00 0.00 H new ATOM 0 HA SER A 517 -11.739 -3.402 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.371 -1.888 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.884 -3.305 -2.393 1.00 0.00 H new ATOM 0 HG SER A 517 -9.144 -1.442 -3.744 1.00 0.00 H new ATOM 953 N LYS A 518 -10.907 -5.364 -0.307 1.00 0.00 N ATOM 954 CA LYS A 518 -10.606 -6.782 -0.155 1.00 0.00 C ATOM 955 C LYS A 518 -11.062 -7.409 -1.471 1.00 0.00 C ATOM 956 O LYS A 518 -10.304 -8.107 -2.144 1.00 0.00 O ATOM 957 CB LYS A 518 -11.368 -7.405 1.025 1.00 0.00 C ATOM 958 CG LYS A 518 -12.729 -6.775 1.293 1.00 0.00 C ATOM 959 CD LYS A 518 -13.833 -7.821 1.325 1.00 0.00 C ATOM 960 CE LYS A 518 -14.595 -7.868 0.012 1.00 0.00 C ATOM 961 NZ LYS A 518 -15.794 -8.747 0.096 1.00 0.00 N ATOM 0 H LYS A 518 -11.356 -4.905 0.486 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.549 -6.948 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.504 -8.469 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.757 -7.319 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -12.703 -6.243 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -12.948 -6.038 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.402 -8.800 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -14.523 -7.598 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -14.903 -6.860 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -13.936 -8.228 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -16.286 -8.752 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -15.499 -9.715 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -16.436 -8.389 0.832 1.00 0.00 H new ATOM 975 N SER A 519 -12.269 -7.027 -1.880 1.00 0.00 N ATOM 976 CA SER A 519 -12.813 -7.406 -3.175 1.00 0.00 C ATOM 977 C SER A 519 -12.140 -6.579 -4.292 1.00 0.00 C ATOM 978 O SER A 519 -11.540 -7.121 -5.231 1.00 0.00 O ATOM 979 CB SER A 519 -14.328 -7.191 -3.203 1.00 0.00 C ATOM 980 OG SER A 519 -14.707 -6.123 -2.352 1.00 0.00 O ATOM 0 H SER A 519 -12.895 -6.447 -1.321 1.00 0.00 H new ATOM 0 HA SER A 519 -12.610 -8.464 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.650 -6.979 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.834 -8.105 -2.892 1.00 0.00 H new ATOM 0 HG SER A 519 -15.679 -6.005 -2.389 1.00 0.00 H new ATOM 986 N GLU A 520 -12.267 -5.239 -4.174 1.00 0.00 N ATOM 987 CA GLU A 520 -11.708 -4.310 -5.158 1.00 0.00 C ATOM 988 C GLU A 520 -10.201 -4.467 -5.296 1.00 0.00 C ATOM 989 O GLU A 520 -9.666 -4.540 -6.401 1.00 0.00 O ATOM 990 CB GLU A 520 -12.067 -2.859 -4.822 1.00 0.00 C ATOM 991 CG GLU A 520 -13.341 -2.376 -5.495 1.00 0.00 C ATOM 992 CD GLU A 520 -13.165 -2.149 -6.984 1.00 0.00 C ATOM 993 OE1 GLU A 520 -13.002 -3.144 -7.720 1.00 0.00 O ATOM 994 OE2 GLU A 520 -13.190 -0.976 -7.413 1.00 0.00 O ATOM 0 H GLU A 520 -12.754 -4.784 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.157 -4.561 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.177 -2.762 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.242 -2.211 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -14.132 -3.108 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -13.666 -1.447 -5.026 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.531 -4.513 -4.161 1.00 0.00 N ATOM 1002 CA GLY A 521 -8.093 -4.654 -4.117 1.00 0.00 C ATOM 1003 C GLY A 521 -7.632 -5.772 -4.992 1.00 0.00 C ATOM 1004 O GLY A 521 -6.822 -5.558 -5.883 1.00 0.00 O ATOM 0 H GLY A 521 -9.972 -4.453 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.624 -3.723 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.774 -4.837 -3.091 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.173 -6.962 -4.771 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.827 -8.110 -5.585 1.00 0.00 C ATOM 1010 C GLN A 522 -7.906 -7.717 -7.057 1.00 0.00 C ATOM 1011 O GLN A 522 -6.988 -7.980 -7.831 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.767 -9.281 -5.296 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.555 -9.910 -3.929 1.00 0.00 C ATOM 1014 CD GLN A 522 -9.618 -10.935 -3.587 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -9.309 -12.080 -3.257 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -10.879 -10.528 -3.667 1.00 0.00 N ATOM 0 H GLN A 522 -8.852 -7.154 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.813 -8.428 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.798 -8.935 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.630 -10.044 -6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.575 -10.386 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.552 -9.128 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -11.089 -9.569 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -11.638 -11.174 -3.451 1.00 0.00 H new ATOM 1025 N ARG A 523 -9.003 -7.058 -7.427 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.195 -6.592 -8.798 1.00 0.00 C ATOM 1027 C ARG A 523 -7.971 -5.818 -9.290 1.00 0.00 C ATOM 1028 O ARG A 523 -7.460 -6.079 -10.374 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.439 -5.710 -8.888 1.00 0.00 C ATOM 1030 CG ARG A 523 -11.075 -5.703 -10.267 1.00 0.00 C ATOM 1031 CD ARG A 523 -11.194 -4.291 -10.822 1.00 0.00 C ATOM 1032 NE ARG A 523 -9.909 -3.776 -11.289 1.00 0.00 N ATOM 1033 CZ ARG A 523 -9.680 -2.495 -11.566 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.646 -1.596 -11.425 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -8.481 -2.111 -11.985 1.00 0.00 N ATOM 0 H ARG A 523 -9.772 -6.835 -6.796 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.329 -7.466 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.173 -6.054 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.172 -4.689 -8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.479 -6.312 -10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -12.064 -6.158 -10.215 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -11.908 -4.284 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -11.591 -3.631 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 523 -9.142 -4.438 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -11.569 -1.886 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.465 -0.615 -11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -7.735 -2.798 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -8.305 -1.129 -12.197 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.502 -4.870 -8.484 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.331 -4.075 -8.838 1.00 0.00 C ATOM 1051 C ILE A 524 -5.141 -4.990 -9.068 1.00 0.00 C ATOM 1052 O ILE A 524 -4.527 -4.988 -10.134 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.983 -3.052 -7.736 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -7.245 -2.335 -7.245 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.967 -2.046 -8.250 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -8.103 -1.774 -8.359 1.00 0.00 C ATOM 0 H ILE A 524 -7.915 -4.634 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.565 -3.526 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.546 -3.589 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.841 -3.032 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.954 -1.523 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.732 -1.331 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -4.058 -2.568 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -5.381 -1.516 -9.108 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.977 -1.282 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -7.525 -1.052 -8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -8.426 -2.584 -9.013 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.856 -5.805 -8.069 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.784 -6.775 -8.145 1.00 0.00 C ATOM 1070 C ILE A 525 -3.954 -7.560 -9.440 1.00 0.00 C ATOM 1071 O ILE A 525 -3.023 -7.722 -10.228 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.782 -7.755 -6.947 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.481 -7.166 -5.719 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.363 -8.134 -6.583 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.971 -5.796 -5.322 1.00 0.00 C ATOM 0 H ILE A 525 -5.362 -5.812 -7.183 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.834 -6.241 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.336 -8.641 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.551 -7.101 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.354 -7.848 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.376 -8.824 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.884 -8.614 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.805 -7.238 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.515 -5.446 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.908 -5.857 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.123 -5.098 -6.146 1.00 0.00 H new ATOM 1087 N ASN A 526 -5.196 -7.996 -9.654 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.585 -8.720 -10.861 1.00 0.00 C ATOM 1089 C ASN A 526 -5.225 -7.872 -12.057 1.00 0.00 C ATOM 1090 O ASN A 526 -4.566 -8.321 -12.996 1.00 0.00 O ATOM 1091 CB ASN A 526 -7.082 -8.994 -10.852 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.493 -9.999 -11.908 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.491 -9.566 -13.161 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -7.807 -11.149 -11.600 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.960 -7.856 -8.993 1.00 0.00 H new ATOM 0 HA ASN A 526 -5.063 -9.676 -10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.375 -9.364 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.620 -8.060 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -7.793 -11.437 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -8.081 -11.814 -12.323 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.617 -6.608 -11.962 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.301 -5.617 -12.975 1.00 0.00 C ATOM 1103 C ASN A 527 -3.816 -5.740 -13.276 1.00 0.00 C ATOM 1104 O ASN A 527 -3.380 -5.652 -14.424 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.689 -4.206 -12.504 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.519 -3.244 -12.434 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -4.203 -2.803 -11.227 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.911 -2.904 -13.449 1.00 0.00 N flip ATOM 0 H ASN A 527 -6.162 -6.244 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.874 -5.791 -13.886 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.441 -3.801 -13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -6.150 -4.275 -11.519 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -4.192 -3.271 -14.358 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -3.127 -2.255 -13.380 1.00 0.00 H new ATOM 1115 N ASN A 528 -3.048 -5.948 -12.207 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.607 -6.094 -12.301 1.00 0.00 C ATOM 1117 C ASN A 528 -0.924 -4.766 -12.575 1.00 0.00 C ATOM 1118 O ASN A 528 0.033 -4.686 -13.346 1.00 0.00 O ATOM 1119 CB ASN A 528 -1.243 -7.103 -13.395 1.00 0.00 C ATOM 1120 CG ASN A 528 0.190 -7.586 -13.289 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.372 -8.787 -12.753 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.124 -6.888 -13.686 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.412 -6.019 -11.257 1.00 0.00 H new ATOM 0 HA ASN A 528 -1.253 -6.462 -11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.916 -7.958 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -1.397 -6.645 -14.372 1.00 0.00 H new ATOM 0 HD21 ASN A 528 0.939 -5.971 -14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.083 -7.227 -13.609 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.419 -3.729 -11.913 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.833 -2.408 -12.073 1.00 0.00 C ATOM 1131 C GLY A 529 -0.211 -1.879 -10.787 1.00 0.00 C ATOM 1132 O GLY A 529 -0.150 -0.667 -10.580 1.00 0.00 O ATOM 0 H GLY A 529 -2.211 -3.775 -11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -0.071 -2.445 -12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.601 -1.713 -12.412 1.00 0.00 H new ATOM 1136 N ALA A 530 0.239 -2.784 -9.913 1.00 0.00 N ATOM 1137 CA ALA A 530 0.839 -2.385 -8.644 1.00 0.00 C ATOM 1138 C ALA A 530 2.146 -3.145 -8.344 1.00 0.00 C ATOM 1139 O ALA A 530 2.430 -4.180 -8.936 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.164 -2.590 -7.522 1.00 0.00 C ATOM 0 H ALA A 530 0.198 -3.792 -10.063 1.00 0.00 H new ATOM 0 HA ALA A 530 1.101 -1.330 -8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.284 -2.292 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -1.050 -1.984 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.447 -3.642 -7.475 1.00 0.00 H new ATOM 1146 N TYR A 531 2.919 -2.624 -7.397 1.00 0.00 N ATOM 1147 CA TYR A 531 4.174 -3.239 -6.952 1.00 0.00 C ATOM 1148 C TYR A 531 4.208 -3.236 -5.419 1.00 0.00 C ATOM 1149 O TYR A 531 3.535 -2.412 -4.794 1.00 0.00 O ATOM 1150 CB TYR A 531 5.388 -2.503 -7.548 1.00 0.00 C ATOM 1151 CG TYR A 531 6.377 -1.962 -6.529 1.00 0.00 C ATOM 1152 CD1 TYR A 531 6.219 -0.689 -5.996 1.00 0.00 C ATOM 1153 CD2 TYR A 531 7.470 -2.717 -6.110 1.00 0.00 C ATOM 1154 CE1 TYR A 531 7.118 -0.183 -5.078 1.00 0.00 C ATOM 1155 CE2 TYR A 531 8.372 -2.211 -5.189 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.190 -0.946 -4.679 1.00 0.00 C ATOM 1157 OH TYR A 531 9.086 -0.442 -3.765 1.00 0.00 O ATOM 0 H TYR A 531 2.694 -1.756 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 531 4.226 -4.269 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 531 5.915 -3.185 -8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.028 -1.674 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 531 5.379 -0.085 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 531 7.616 -3.710 -6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 531 6.979 0.809 -4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 531 9.215 -2.807 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 531 9.784 -1.107 -3.590 1.00 0.00 H new ATOM 1167 N VAL A 532 4.975 -4.142 -4.800 1.00 0.00 N ATOM 1168 CA VAL A 532 5.022 -4.169 -3.340 1.00 0.00 C ATOM 1169 C VAL A 532 6.452 -4.117 -2.810 1.00 0.00 C ATOM 1170 O VAL A 532 7.357 -4.803 -3.303 1.00 0.00 O ATOM 1171 CB VAL A 532 4.274 -5.409 -2.787 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.227 -6.392 -2.120 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.183 -4.981 -1.815 1.00 0.00 C ATOM 0 H VAL A 532 5.551 -4.841 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 532 4.515 -3.272 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 532 3.814 -5.921 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.664 -7.247 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 532 5.965 -6.733 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.735 -5.900 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.667 -5.863 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.630 -4.436 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.470 -4.337 -2.329 1.00 0.00 H new ATOM 1183 N GLY A 533 6.630 -3.279 -1.792 1.00 0.00 N ATOM 1184 CA GLY A 533 7.929 -3.115 -1.186 1.00 0.00 C ATOM 1185 C GLY A 533 7.906 -3.142 0.326 1.00 0.00 C ATOM 1186 O GLY A 533 6.892 -2.838 0.953 1.00 0.00 O ATOM 0 H GLY A 533 5.891 -2.711 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.589 -3.905 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.357 -2.168 -1.517 1.00 0.00 H new ATOM 1190 N SER A 534 9.046 -3.498 0.901 1.00 0.00 N ATOM 1191 CA SER A 534 9.205 -3.547 2.356 1.00 0.00 C ATOM 1192 C SER A 534 10.513 -2.893 2.783 1.00 0.00 C ATOM 1193 O SER A 534 11.533 -3.057 2.120 1.00 0.00 O ATOM 1194 CB SER A 534 9.165 -4.988 2.858 1.00 0.00 C ATOM 1195 OG SER A 534 7.947 -5.253 3.533 1.00 0.00 O ATOM 0 H SER A 534 9.883 -3.760 0.381 1.00 0.00 H new ATOM 0 HA SER A 534 8.375 -2.995 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.277 -5.674 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.005 -5.167 3.530 1.00 0.00 H new ATOM 0 HG SER A 534 8.133 -5.736 4.365 1.00 0.00 H new ATOM 1201 N ARG A 535 10.491 -2.164 3.897 1.00 0.00 N ATOM 1202 CA ARG A 535 11.707 -1.520 4.389 1.00 0.00 C ATOM 1203 C ARG A 535 11.621 -1.170 5.877 1.00 0.00 C ATOM 1204 O ARG A 535 11.202 -0.073 6.240 1.00 0.00 O ATOM 1205 CB ARG A 535 11.999 -0.268 3.566 1.00 0.00 C ATOM 1206 CG ARG A 535 13.114 0.603 4.128 1.00 0.00 C ATOM 1207 CD ARG A 535 14.410 -0.176 4.283 1.00 0.00 C ATOM 1208 NE ARG A 535 15.204 -0.168 3.056 1.00 0.00 N ATOM 1209 CZ ARG A 535 15.965 0.854 2.672 1.00 0.00 C ATOM 1210 NH1 ARG A 535 16.039 1.951 3.414 1.00 0.00 N ATOM 1211 NH2 ARG A 535 16.654 0.778 1.541 1.00 0.00 N ATOM 0 H ARG A 535 9.660 -2.006 4.467 1.00 0.00 H new ATOM 0 HA ARG A 535 12.524 -2.233 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.263 -0.567 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.089 0.327 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.278 1.455 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 535 12.811 1.003 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.995 0.253 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.183 -1.205 4.561 1.00 0.00 H new ATOM 0 HE ARG A 535 15.173 -0.994 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 535 15.511 2.015 4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 535 16.624 2.731 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 535 16.600 -0.063 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 535 17.238 1.561 1.246 1.00 0.00 H new ATOM 1401 N ASP A 549 14.986 -8.021 2.573 1.00 0.00 N ATOM 1402 CA ASP A 549 13.730 -7.533 3.110 1.00 0.00 C ATOM 1403 C ASP A 549 13.806 -6.022 3.281 1.00 0.00 C ATOM 1404 O ASP A 549 12.784 -5.340 3.345 1.00 0.00 O ATOM 1405 CB ASP A 549 13.420 -8.202 4.450 1.00 0.00 C ATOM 1406 CG ASP A 549 13.634 -9.702 4.413 1.00 0.00 C ATOM 1407 OD1 ASP A 549 13.435 -10.304 3.337 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.999 -10.275 5.461 1.00 0.00 O ATOM 0 HA ASP A 549 12.928 -7.779 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 549 14.052 -7.767 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 549 12.387 -7.992 4.727 1.00 0.00 H new ATOM 1413 N ASP A 550 15.037 -5.498 3.336 1.00 0.00 N ATOM 1414 CA ASP A 550 15.248 -4.067 3.478 1.00 0.00 C ATOM 1415 C ASP A 550 14.444 -3.347 2.412 1.00 0.00 C ATOM 1416 O ASP A 550 13.789 -2.340 2.669 1.00 0.00 O ATOM 1417 CB ASP A 550 16.734 -3.723 3.349 1.00 0.00 C ATOM 1418 CG ASP A 550 17.380 -4.388 2.150 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.210 -3.876 1.023 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.054 -5.423 2.338 1.00 0.00 O ATOM 0 H ASP A 550 15.894 -6.048 3.284 1.00 0.00 H new ATOM 0 HA ASP A 550 14.918 -3.748 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 550 16.848 -2.642 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 550 17.255 -4.030 4.256 1.00 0.00 H new ATOM 1425 N LEU A 551 14.479 -3.914 1.217 1.00 0.00 N ATOM 1426 CA LEU A 551 13.727 -3.391 0.095 1.00 0.00 C ATOM 1427 C LEU A 551 12.982 -4.538 -0.563 1.00 0.00 C ATOM 1428 O LEU A 551 13.527 -5.627 -0.712 1.00 0.00 O ATOM 1429 CB LEU A 551 14.660 -2.729 -0.919 1.00 0.00 C ATOM 1430 CG LEU A 551 14.044 -2.482 -2.303 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.156 -1.248 -2.283 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.134 -2.342 -3.355 1.00 0.00 C ATOM 0 H LEU A 551 15.028 -4.746 1.001 1.00 0.00 H new ATOM 0 HA LEU A 551 13.024 -2.638 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 551 14.996 -1.775 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.545 -3.354 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 551 13.426 -3.342 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.729 -1.091 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.353 -1.390 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.749 -0.378 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.679 -2.167 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.780 -1.502 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 551 15.726 -3.257 -3.390 1.00 0.00 H new ATOM 1444 N THR A 552 11.748 -4.306 -0.966 1.00 0.00 N ATOM 1445 CA THR A 552 10.987 -5.356 -1.615 1.00 0.00 C ATOM 1446 C THR A 552 10.284 -4.852 -2.865 1.00 0.00 C ATOM 1447 O THR A 552 9.858 -3.701 -2.945 1.00 0.00 O ATOM 1448 CB THR A 552 9.987 -5.986 -0.648 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.597 -6.209 0.609 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.444 -7.314 -1.134 1.00 0.00 C ATOM 0 H THR A 552 11.258 -3.418 -0.859 1.00 0.00 H new ATOM 0 HA THR A 552 11.695 -6.125 -1.924 1.00 0.00 H new ATOM 0 HB THR A 552 9.160 -5.280 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.858 -7.151 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.739 -7.709 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.935 -7.172 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.266 -8.018 -1.263 1.00 0.00 H new ATOM 1458 N PHE A 553 10.142 -5.742 -3.821 1.00 0.00 N ATOM 1459 CA PHE A 553 9.453 -5.453 -5.056 1.00 0.00 C ATOM 1460 C PHE A 553 8.514 -6.601 -5.366 1.00 0.00 C ATOM 1461 O PHE A 553 8.885 -7.756 -5.228 1.00 0.00 O ATOM 1462 CB PHE A 553 10.449 -5.254 -6.202 1.00 0.00 C ATOM 1463 CG PHE A 553 10.968 -3.848 -6.311 1.00 0.00 C ATOM 1464 CD1 PHE A 553 12.026 -3.423 -5.524 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.401 -2.952 -7.204 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.507 -2.131 -5.623 1.00 0.00 C ATOM 1467 CE2 PHE A 553 10.878 -1.659 -7.307 1.00 0.00 C ATOM 1468 CZ PHE A 553 11.932 -1.249 -6.516 1.00 0.00 C ATOM 0 H PHE A 553 10.505 -6.694 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 553 8.886 -4.529 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.290 -5.933 -6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 553 9.969 -5.529 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.480 -4.109 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.577 -3.268 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 553 13.331 -1.812 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.426 -0.970 -8.006 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.307 -0.239 -6.596 1.00 0.00 H new ATOM 1478 N THR A 554 7.318 -6.307 -5.804 1.00 0.00 N ATOM 1479 CA THR A 554 6.392 -7.364 -6.154 1.00 0.00 C ATOM 1480 C THR A 554 5.777 -7.058 -7.499 1.00 0.00 C ATOM 1481 O THR A 554 5.444 -5.911 -7.787 1.00 0.00 O ATOM 1482 CB THR A 554 5.328 -7.545 -5.069 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.866 -8.268 -3.974 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.088 -8.288 -5.530 1.00 0.00 C ATOM 0 H THR A 554 6.961 -5.360 -5.928 1.00 0.00 H new ATOM 0 HA THR A 554 6.930 -8.310 -6.224 1.00 0.00 H new ATOM 0 HB THR A 554 5.032 -6.533 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 554 6.827 -8.088 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.385 -8.373 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.619 -7.741 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.367 -9.284 -5.872 1.00 0.00 H new ATOM 1492 N PRO A 555 5.620 -8.068 -8.352 1.00 0.00 N ATOM 1493 CA PRO A 555 5.046 -7.869 -9.662 1.00 0.00 C ATOM 1494 C PRO A 555 3.529 -7.884 -9.630 1.00 0.00 C ATOM 1495 O PRO A 555 2.891 -8.145 -10.646 1.00 0.00 O ATOM 1496 CB PRO A 555 5.610 -9.038 -10.449 1.00 0.00 C ATOM 1497 CG PRO A 555 5.714 -10.139 -9.450 1.00 0.00 C ATOM 1498 CD PRO A 555 5.996 -9.479 -8.122 1.00 0.00 C ATOM 0 HA PRO A 555 5.290 -6.899 -10.095 1.00 0.00 H new ATOM 0 HB2 PRO A 555 4.956 -9.313 -11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.583 -8.797 -10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 555 4.790 -10.716 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.511 -10.833 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.409 -9.925 -7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.045 -9.574 -7.841 1.00 0.00 H new ATOM 1506 N ILE A 556 2.962 -7.574 -8.456 1.00 0.00 N ATOM 1507 CA ILE A 556 1.519 -7.495 -8.288 1.00 0.00 C ATOM 1508 C ILE A 556 0.811 -8.812 -8.564 1.00 0.00 C ATOM 1509 O ILE A 556 -0.338 -8.828 -9.004 1.00 0.00 O ATOM 1510 CB ILE A 556 0.894 -6.360 -9.097 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.527 -6.064 -8.622 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.904 -6.701 -10.548 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.623 -5.794 -7.138 1.00 0.00 C ATOM 0 H ILE A 556 3.492 -7.374 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 556 1.370 -7.268 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 556 1.489 -5.460 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.911 -5.201 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.168 -6.909 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.456 -5.886 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.931 -6.853 -10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.332 -7.614 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.660 -5.592 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.270 -6.665 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.008 -4.930 -6.885 1.00 0.00 H new ATOM 1525 N LYS A 557 1.481 -9.913 -8.296 1.00 0.00 N ATOM 1526 CA LYS A 557 0.881 -11.213 -8.512 1.00 0.00 C ATOM 1527 C LYS A 557 0.550 -11.725 -7.137 1.00 0.00 C ATOM 1528 O LYS A 557 1.410 -11.799 -6.259 1.00 0.00 O ATOM 1529 CB LYS A 557 1.841 -12.157 -9.239 1.00 0.00 C ATOM 1530 CG LYS A 557 1.139 -13.185 -10.113 1.00 0.00 C ATOM 1531 CD LYS A 557 0.891 -12.649 -11.513 1.00 0.00 C ATOM 1532 CE LYS A 557 -0.463 -13.088 -12.046 1.00 0.00 C ATOM 1533 NZ LYS A 557 -1.026 -12.104 -13.010 1.00 0.00 N ATOM 0 H LYS A 557 2.433 -9.935 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 557 -0.004 -11.149 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.518 -11.568 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.454 -12.677 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.745 -14.090 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.190 -13.465 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.943 -11.560 -11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.677 -12.999 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 557 -0.364 -14.058 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 557 -1.155 -13.218 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 -1.949 -12.440 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 -1.145 -11.185 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 -0.378 -11.998 -13.816 1.00 0.00 H new ATOM 1547 N THR A 558 -0.738 -11.932 -6.915 1.00 0.00 N ATOM 1548 CA THR A 558 -1.207 -12.264 -5.594 1.00 0.00 C ATOM 1549 C THR A 558 -0.558 -13.499 -5.000 1.00 0.00 C ATOM 1550 O THR A 558 -0.735 -14.624 -5.466 1.00 0.00 O ATOM 1551 CB THR A 558 -2.725 -12.440 -5.609 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.180 -12.970 -4.376 1.00 0.00 O ATOM 1553 CG2 THR A 558 -3.211 -13.356 -6.711 1.00 0.00 C ATOM 0 H THR A 558 -1.465 -11.875 -7.629 1.00 0.00 H new ATOM 0 HA THR A 558 -0.921 -11.429 -4.955 1.00 0.00 H new ATOM 0 HB THR A 558 -3.130 -11.443 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.154 -13.074 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 558 -4.297 -13.437 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.919 -12.948 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.768 -14.344 -6.585 1.00 0.00 H new ATOM 1561 N TRP A 559 0.125 -13.236 -3.897 1.00 0.00 N ATOM 1562 CA TRP A 559 0.777 -14.231 -3.072 1.00 0.00 C ATOM 1563 C TRP A 559 0.447 -13.833 -1.641 1.00 0.00 C ATOM 1564 O TRP A 559 0.849 -12.758 -1.199 1.00 0.00 O ATOM 1565 CB TRP A 559 2.291 -14.238 -3.318 1.00 0.00 C ATOM 1566 CG TRP A 559 2.668 -14.160 -4.773 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.018 -14.737 -5.826 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.790 -13.463 -5.334 1.00 0.00 C ATOM 1569 NE1 TRP A 559 2.661 -14.441 -7.002 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.752 -13.662 -6.727 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.820 -12.692 -4.797 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.703 -13.117 -7.585 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 5.764 -12.151 -5.648 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.699 -12.365 -7.029 1.00 0.00 C ATOM 0 H TRP A 559 0.243 -12.287 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 559 0.435 -15.241 -3.297 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.740 -13.397 -2.790 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.716 -15.146 -2.890 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.126 -15.340 -5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 559 2.373 -14.751 -7.930 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.879 -12.520 -3.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.655 -13.283 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 6.566 -11.553 -5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 559 6.451 -11.927 -7.668 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.353 -14.623 -0.945 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.782 -14.224 0.391 1.00 0.00 C ATOM 1587 C ASN A 560 0.258 -14.434 1.488 1.00 0.00 C ATOM 1588 O ASN A 560 0.820 -13.473 2.003 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.064 -14.971 0.761 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.188 -14.714 -0.222 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.305 -13.622 -0.777 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -4.023 -15.723 -0.444 1.00 0.00 N ATOM 0 H ASN A 560 -0.712 -15.521 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 560 -0.946 -13.148 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.859 -16.041 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.382 -14.669 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.799 -15.609 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -3.889 -16.612 0.038 1.00 0.00 H new ATOM 1599 N ALA A 561 0.463 -15.675 1.884 1.00 0.00 N ATOM 1600 CA ALA A 561 1.381 -15.985 2.976 1.00 0.00 C ATOM 1601 C ALA A 561 2.867 -15.850 2.652 1.00 0.00 C ATOM 1602 O ALA A 561 3.571 -15.058 3.275 1.00 0.00 O ATOM 1603 CB ALA A 561 1.078 -17.360 3.519 1.00 0.00 C ATOM 0 H ALA A 561 0.009 -16.489 1.469 1.00 0.00 H new ATOM 0 HA ALA A 561 1.201 -15.219 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.765 -17.589 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 561 0.053 -17.387 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.197 -18.099 2.726 1.00 0.00 H new ATOM 1609 N SER A 562 3.357 -16.665 1.736 1.00 0.00 N ATOM 1610 CA SER A 562 4.778 -16.671 1.403 1.00 0.00 C ATOM 1611 C SER A 562 5.338 -15.277 1.142 1.00 0.00 C ATOM 1612 O SER A 562 6.374 -14.897 1.699 1.00 0.00 O ATOM 1613 CB SER A 562 5.028 -17.562 0.186 1.00 0.00 C ATOM 1614 OG SER A 562 6.242 -18.282 0.320 1.00 0.00 O ATOM 0 H SER A 562 2.796 -17.333 1.207 1.00 0.00 H new ATOM 0 HA SER A 562 5.300 -17.067 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.199 -18.260 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 562 5.062 -16.950 -0.715 1.00 0.00 H new ATOM 0 HG SER A 562 6.377 -18.845 -0.471 1.00 0.00 H new ATOM 1620 N LYS A 563 4.672 -14.524 0.287 1.00 0.00 N ATOM 1621 CA LYS A 563 5.140 -13.189 -0.060 1.00 0.00 C ATOM 1622 C LYS A 563 4.984 -12.197 1.084 1.00 0.00 C ATOM 1623 O LYS A 563 5.917 -11.461 1.400 1.00 0.00 O ATOM 1624 CB LYS A 563 4.403 -12.673 -1.290 1.00 0.00 C ATOM 1625 CG LYS A 563 4.827 -11.273 -1.700 1.00 0.00 C ATOM 1626 CD LYS A 563 6.271 -11.243 -2.177 1.00 0.00 C ATOM 1627 CE LYS A 563 7.215 -10.810 -1.068 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.556 -10.433 -1.595 1.00 0.00 N ATOM 0 H LYS A 563 3.810 -14.808 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 563 6.205 -13.276 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 563 4.576 -13.356 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 563 3.331 -12.677 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 563 4.173 -10.912 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.708 -10.594 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 563 6.558 -12.232 -2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 563 6.362 -10.560 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 563 6.784 -9.963 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.323 -11.620 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 9.119 -10.001 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 9.042 -11.283 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 8.444 -9.752 -2.373 1.00 0.00 H new ATOM 1642 N THR A 564 3.804 -12.155 1.683 1.00 0.00 N ATOM 1643 CA THR A 564 3.542 -11.215 2.766 1.00 0.00 C ATOM 1644 C THR A 564 4.593 -11.346 3.869 1.00 0.00 C ATOM 1645 O THR A 564 5.372 -10.429 4.095 1.00 0.00 O ATOM 1646 CB THR A 564 2.109 -11.380 3.287 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.664 -10.199 3.932 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.906 -12.517 4.248 1.00 0.00 C ATOM 0 H THR A 564 3.016 -12.756 1.441 1.00 0.00 H new ATOM 0 HA THR A 564 3.624 -10.199 2.380 1.00 0.00 H new ATOM 0 HB THR A 564 1.532 -11.599 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 564 1.168 -10.436 4.743 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.861 -12.549 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.170 -13.456 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.540 -12.371 5.123 1.00 0.00 H new ATOM 1656 N GLN A 565 4.644 -12.490 4.528 1.00 0.00 N ATOM 1657 CA GLN A 565 5.622 -12.724 5.582 1.00 0.00 C ATOM 1658 C GLN A 565 7.030 -12.330 5.128 1.00 0.00 C ATOM 1659 O GLN A 565 7.758 -11.659 5.857 1.00 0.00 O ATOM 1660 CB GLN A 565 5.600 -14.194 6.008 1.00 0.00 C ATOM 1661 CG GLN A 565 5.548 -14.388 7.515 1.00 0.00 C ATOM 1662 CD GLN A 565 6.630 -13.613 8.242 1.00 0.00 C ATOM 1663 OE1 GLN A 565 6.323 -12.376 8.613 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.730 -14.121 8.467 1.00 0.00 N flip ATOM 0 H GLN A 565 4.018 -13.276 4.353 1.00 0.00 H new ATOM 0 HA GLN A 565 5.353 -12.101 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.736 -14.682 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.487 -14.691 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.572 -14.074 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.650 -15.449 7.745 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.923 -15.076 8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 565 8.448 -13.587 8.957 1.00 0.00 H new ATOM 1673 N GLU A 566 7.414 -12.771 3.934 1.00 0.00 N ATOM 1674 CA GLU A 566 8.744 -12.483 3.399 1.00 0.00 C ATOM 1675 C GLU A 566 9.099 -10.997 3.493 1.00 0.00 C ATOM 1676 O GLU A 566 10.134 -10.638 4.050 1.00 0.00 O ATOM 1677 CB GLU A 566 8.835 -12.948 1.940 1.00 0.00 C ATOM 1678 CG GLU A 566 10.031 -12.382 1.186 1.00 0.00 C ATOM 1679 CD GLU A 566 10.663 -13.394 0.250 1.00 0.00 C ATOM 1680 OE1 GLU A 566 11.100 -14.459 0.737 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.720 -13.123 -0.967 1.00 0.00 O ATOM 0 H GLU A 566 6.824 -13.329 3.317 1.00 0.00 H new ATOM 0 HA GLU A 566 9.463 -13.030 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.886 -14.037 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.921 -12.661 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.715 -11.510 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.778 -12.039 1.902 1.00 0.00 H new ATOM 1688 N PHE A 567 8.259 -10.143 2.916 1.00 0.00 N ATOM 1689 CA PHE A 567 8.515 -8.705 2.913 1.00 0.00 C ATOM 1690 C PHE A 567 7.761 -7.981 4.035 1.00 0.00 C ATOM 1691 O PHE A 567 8.314 -7.136 4.738 1.00 0.00 O ATOM 1692 CB PHE A 567 8.148 -8.125 1.532 1.00 0.00 C ATOM 1693 CG PHE A 567 6.785 -7.480 1.442 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.632 -8.243 1.523 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.661 -6.110 1.271 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.386 -7.654 1.437 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.417 -5.516 1.184 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.278 -6.290 1.267 1.00 0.00 C ATOM 0 H PHE A 567 7.397 -10.420 2.446 1.00 0.00 H new ATOM 0 HA PHE A 567 9.576 -8.545 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.900 -7.386 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 567 8.202 -8.926 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.708 -9.312 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.549 -5.499 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.496 -8.262 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.336 -4.447 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.304 -5.829 1.199 1.00 0.00 H new ATOM 1708 N ILE A 568 6.500 -8.336 4.178 1.00 0.00 N ATOM 1709 CA ILE A 568 5.588 -7.772 5.173 1.00 0.00 C ATOM 1710 C ILE A 568 6.041 -7.920 6.598 1.00 0.00 C ATOM 1711 O ILE A 568 5.266 -7.630 7.508 1.00 0.00 O ATOM 1712 CB ILE A 568 4.155 -8.311 5.016 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.150 -7.183 5.191 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.868 -9.438 6.006 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.404 -5.999 4.287 1.00 0.00 C ATOM 0 H ILE A 568 6.061 -9.046 3.591 1.00 0.00 H new ATOM 0 HA ILE A 568 5.596 -6.703 4.960 1.00 0.00 H new ATOM 0 HB ILE A 568 4.059 -8.722 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.148 -7.567 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.170 -6.848 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.847 -9.794 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 568 4.565 -10.258 5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.987 -9.067 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.648 -5.235 4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.392 -5.588 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.355 -6.319 3.246 1.00 0.00 H new ATOM 1727 N ILE A 569 7.260 -8.354 6.829 1.00 0.00 N ATOM 1728 CA ILE A 569 7.693 -8.472 8.201 1.00 0.00 C ATOM 1729 C ILE A 569 7.468 -7.098 8.789 1.00 0.00 C ATOM 1730 O ILE A 569 6.935 -6.952 9.888 1.00 0.00 O ATOM 1731 CB ILE A 569 9.186 -8.847 8.341 1.00 0.00 C ATOM 1732 CG1 ILE A 569 10.051 -8.091 7.311 1.00 0.00 C ATOM 1733 CG2 ILE A 569 9.372 -10.354 8.224 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.286 -8.840 6.017 1.00 0.00 C ATOM 0 H ILE A 569 7.942 -8.620 6.119 1.00 0.00 H new ATOM 0 HA ILE A 569 7.143 -9.268 8.702 1.00 0.00 H new ATOM 0 HB ILE A 569 9.522 -8.542 9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.572 -7.139 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 569 11.016 -7.862 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.429 -10.599 8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.807 -10.853 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 569 9.013 -10.691 7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 569 10.903 -8.234 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 569 10.795 -9.780 6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 569 9.329 -9.045 5.537 1.00 0.00 H new ATOM 1746 N ASP A 570 7.771 -6.097 7.962 1.00 0.00 N ATOM 1747 CA ASP A 570 7.497 -4.709 8.274 1.00 0.00 C ATOM 1748 C ASP A 570 7.582 -4.418 9.753 1.00 0.00 C ATOM 1749 O ASP A 570 6.612 -3.915 10.325 1.00 0.00 O ATOM 1750 CB ASP A 570 6.119 -4.312 7.743 1.00 0.00 C ATOM 1751 CG ASP A 570 5.014 -5.202 8.265 1.00 0.00 C ATOM 1752 OD1 ASP A 570 5.085 -5.617 9.439 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.069 -5.479 7.501 1.00 0.00 O ATOM 0 H ASP A 570 8.215 -6.235 7.054 1.00 0.00 H new ATOM 0 HA ASP A 570 8.268 -4.114 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.910 -3.279 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.128 -4.352 6.654 1.00 0.00 H new ATOM 1758 N GLY A 571 8.699 -4.715 10.399 1.00 0.00 N ATOM 1759 CA GLY A 571 8.744 -4.425 11.811 1.00 0.00 C ATOM 1760 C GLY A 571 8.327 -2.996 12.018 1.00 0.00 C ATOM 1761 O GLY A 571 7.481 -2.698 12.862 1.00 0.00 O ATOM 0 H GLY A 571 9.537 -5.132 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.081 -5.096 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.750 -4.586 12.199 1.00 0.00 H new ATOM 1765 N ASP A 572 8.866 -2.116 11.184 1.00 0.00 N ATOM 1766 CA ASP A 572 8.481 -0.726 11.220 1.00 0.00 C ATOM 1767 C ASP A 572 7.874 -0.252 9.893 1.00 0.00 C ATOM 1768 O ASP A 572 7.271 0.820 9.854 1.00 0.00 O ATOM 1769 CB ASP A 572 9.690 0.142 11.572 1.00 0.00 C ATOM 1770 CG ASP A 572 10.328 -0.261 12.887 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.624 -0.246 13.918 1.00 0.00 O ATOM 1772 OD2 ASP A 572 11.533 -0.593 12.886 1.00 0.00 O ATOM 0 H ASP A 572 9.567 -2.346 10.480 1.00 0.00 H new ATOM 0 HA ASP A 572 7.712 -0.625 11.986 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.430 0.070 10.775 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.381 1.186 11.626 1.00 0.00 H new ATOM 1777 N LEU A 573 8.061 -1.000 8.781 1.00 0.00 N ATOM 1778 CA LEU A 573 7.534 -0.522 7.507 1.00 0.00 C ATOM 1779 C LEU A 573 6.912 -1.563 6.604 1.00 0.00 C ATOM 1780 O LEU A 573 7.478 -2.618 6.339 1.00 0.00 O ATOM 1781 CB LEU A 573 8.620 0.211 6.730 1.00 0.00 C ATOM 1782 CG LEU A 573 8.105 1.197 5.680 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.078 2.611 6.240 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.964 1.135 4.425 1.00 0.00 C ATOM 0 H LEU A 573 8.551 -1.894 8.748 1.00 0.00 H new ATOM 0 HA LEU A 573 6.716 0.138 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.250 0.751 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.253 -0.526 6.236 1.00 0.00 H new ATOM 0 HG LEU A 573 7.086 0.915 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.709 3.297 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.421 2.646 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.085 2.905 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.584 1.843 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.994 1.390 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.931 0.127 4.011 1.00 0.00 H new ATOM 1796 N LEU A 574 5.796 -1.165 6.043 1.00 0.00 N ATOM 1797 CA LEU A 574 5.105 -1.930 5.034 1.00 0.00 C ATOM 1798 C LEU A 574 4.729 -0.921 3.950 1.00 0.00 C ATOM 1799 O LEU A 574 4.211 0.148 4.272 1.00 0.00 O ATOM 1800 CB LEU A 574 3.856 -2.604 5.618 1.00 0.00 C ATOM 1801 CG LEU A 574 2.648 -2.718 4.676 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.070 -3.236 3.306 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.580 -3.618 5.287 1.00 0.00 C ATOM 0 H LEU A 574 5.335 -0.286 6.279 1.00 0.00 H new ATOM 0 HA LEU A 574 5.726 -2.733 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.129 -3.606 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.549 -2.049 6.504 1.00 0.00 H new ATOM 0 HG LEU A 574 2.226 -1.722 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 574 2.196 -3.307 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.793 -2.550 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.523 -4.222 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.731 -3.688 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.994 -4.612 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.250 -3.198 6.237 1.00 0.00 H new ATOM 1815 N ILE A 575 4.961 -1.226 2.689 1.00 0.00 N ATOM 1816 CA ILE A 575 4.597 -0.284 1.621 1.00 0.00 C ATOM 1817 C ILE A 575 3.886 -0.971 0.478 1.00 0.00 C ATOM 1818 O ILE A 575 4.294 -2.042 0.020 1.00 0.00 O ATOM 1819 CB ILE A 575 5.805 0.479 1.019 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.126 0.008 1.623 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.636 1.977 1.215 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.326 0.798 1.144 1.00 0.00 C ATOM 0 H ILE A 575 5.390 -2.095 2.371 1.00 0.00 H new ATOM 0 HA ILE A 575 3.939 0.430 2.116 1.00 0.00 H new ATOM 0 HB ILE A 575 5.834 0.263 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.065 0.078 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.273 -1.044 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.492 2.499 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.724 2.308 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.571 2.200 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.229 0.409 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.412 0.708 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.201 1.847 1.412 1.00 0.00 H new ATOM 1834 N LEU A 576 2.857 -0.315 -0.015 1.00 0.00 N ATOM 1835 CA LEU A 576 2.110 -0.805 -1.145 1.00 0.00 C ATOM 1836 C LEU A 576 1.921 0.332 -2.116 1.00 0.00 C ATOM 1837 O LEU A 576 1.549 1.432 -1.711 1.00 0.00 O ATOM 1838 CB LEU A 576 0.735 -1.319 -0.695 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.480 -0.772 -1.481 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.614 -1.486 -2.823 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.746 -0.952 -0.667 1.00 0.00 C ATOM 0 H LEU A 576 2.518 0.572 0.358 1.00 0.00 H new ATOM 0 HA LEU A 576 2.653 -1.626 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.732 -2.406 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.603 -1.072 0.358 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.324 0.290 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.474 -1.089 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.289 -1.326 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -0.753 -2.554 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.597 -0.564 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.899 -2.011 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.654 -0.410 0.274 1.00 0.00 H new ATOM 1853 N LYS A 577 2.121 0.087 -3.388 1.00 0.00 N ATOM 1854 CA LYS A 577 1.893 1.144 -4.351 1.00 0.00 C ATOM 1855 C LYS A 577 1.060 0.634 -5.504 1.00 0.00 C ATOM 1856 O LYS A 577 1.324 -0.437 -6.045 1.00 0.00 O ATOM 1857 CB LYS A 577 3.216 1.706 -4.867 1.00 0.00 C ATOM 1858 CG LYS A 577 3.906 2.638 -3.888 1.00 0.00 C ATOM 1859 CD LYS A 577 5.413 2.445 -3.902 1.00 0.00 C ATOM 1860 CE LYS A 577 6.134 3.639 -3.300 1.00 0.00 C ATOM 1861 NZ LYS A 577 7.613 3.518 -3.426 1.00 0.00 N ATOM 0 H LYS A 577 2.431 -0.804 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 577 1.351 1.947 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.886 0.878 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.034 2.242 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.668 3.672 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.525 2.458 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.670 1.544 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.752 2.293 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.801 4.551 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.866 3.732 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 8.067 4.353 -3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.935 2.661 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 7.872 3.455 -4.431 1.00 0.00 H new ATOM 1875 N LEU A 578 0.077 1.417 -5.906 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.753 1.048 -7.031 1.00 0.00 C ATOM 1877 C LEU A 578 -0.704 2.176 -8.042 1.00 0.00 C ATOM 1878 O LEU A 578 -0.874 3.356 -7.693 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.193 0.782 -6.562 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.318 0.072 -5.200 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.167 0.889 -4.229 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.900 -1.328 -5.372 1.00 0.00 C ATOM 0 H LEU A 578 -0.164 2.308 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.387 0.131 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.722 1.733 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.698 0.179 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.317 -0.020 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.238 0.364 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.704 1.863 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.166 1.024 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.980 -1.811 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.889 -1.258 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.247 -1.917 -6.017 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.474 1.803 -9.296 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.372 2.780 -10.351 1.00 0.00 C ATOM 1896 C GLY A 579 -1.688 3.102 -10.991 1.00 0.00 C ATOM 1897 O GLY A 579 -1.754 3.962 -11.870 1.00 0.00 O ATOM 0 H GLY A 579 -0.357 0.835 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.062 3.695 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.314 2.411 -11.113 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.750 2.440 -10.559 1.00 0.00 N ATOM 1902 CA LYS A 580 -4.038 2.730 -11.135 1.00 0.00 C ATOM 1903 C LYS A 580 -4.503 4.079 -10.639 1.00 0.00 C ATOM 1904 O LYS A 580 -4.898 4.933 -11.434 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.061 1.645 -10.787 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.980 1.153 -9.349 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.340 1.183 -8.668 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.356 2.148 -7.492 1.00 0.00 C ATOM 1909 NZ LYS A 580 -6.267 1.436 -6.187 1.00 0.00 N ATOM 0 H LYS A 580 -2.742 1.722 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.945 2.749 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -6.063 2.033 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.919 0.798 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -4.587 0.136 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.279 1.774 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -7.103 1.475 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.596 0.182 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.523 2.845 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -7.271 2.740 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.961 2.101 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.200 1.049 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -5.578 0.660 -6.261 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.419 4.301 -9.329 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.803 5.587 -8.790 1.00 0.00 C ATOM 1925 C TRP A 581 -3.893 6.112 -7.682 1.00 0.00 C ATOM 1926 O TRP A 581 -3.477 7.270 -7.714 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.241 5.525 -8.269 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.274 5.523 -9.355 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.175 6.109 -10.583 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.567 4.907 -9.306 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.325 5.891 -11.303 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.196 5.157 -10.540 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.254 4.168 -8.338 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.476 4.695 -10.832 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.525 3.709 -8.628 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -11.124 3.973 -9.867 1.00 0.00 C ATOM 0 H TRP A 581 -4.096 3.620 -8.642 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.710 6.288 -9.620 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.361 4.626 -7.664 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.418 6.377 -7.613 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.318 6.663 -10.937 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.502 6.222 -12.252 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.800 3.960 -7.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.941 4.899 -11.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -11.065 3.138 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -12.118 3.599 -10.064 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.671 5.297 -6.647 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.913 5.761 -5.497 1.00 0.00 C ATOM 1949 C LYS A 582 -1.957 4.746 -4.910 1.00 0.00 C ATOM 1950 O LYS A 582 -2.080 3.535 -5.115 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.874 6.235 -4.406 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.066 5.313 -4.199 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.329 5.884 -4.826 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.104 6.738 -3.836 1.00 0.00 C ATOM 1955 NZ LYS A 582 -8.394 7.216 -4.406 1.00 0.00 N ATOM 0 H LYS A 582 -4.000 4.333 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.292 6.576 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.328 6.325 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -4.236 7.231 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -4.852 4.337 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.226 5.158 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.065 6.484 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.962 5.070 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.298 6.160 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -6.497 7.595 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -8.892 7.795 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -8.208 7.789 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -8.984 6.399 -4.663 1.00 0.00 H new ATOM 1969 N MET A 583 -1.069 5.260 -4.079 1.00 0.00 N ATOM 1970 CA MET A 583 -0.155 4.453 -3.318 1.00 0.00 C ATOM 1971 C MET A 583 -0.587 4.566 -1.866 1.00 0.00 C ATOM 1972 O MET A 583 -0.847 5.660 -1.355 1.00 0.00 O ATOM 1973 CB MET A 583 1.296 4.938 -3.475 1.00 0.00 C ATOM 1974 CG MET A 583 2.092 4.943 -2.167 1.00 0.00 C ATOM 1975 SD MET A 583 3.781 5.538 -2.376 1.00 0.00 S ATOM 1976 CE MET A 583 4.474 5.153 -0.769 1.00 0.00 C ATOM 0 H MET A 583 -0.967 6.262 -3.917 1.00 0.00 H new ATOM 0 HA MET A 583 -0.180 3.422 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.806 4.300 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.289 5.946 -3.889 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.579 5.570 -1.438 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.116 3.933 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.561 5.209 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 583 4.107 5.869 -0.033 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.176 4.146 -0.476 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.632 3.439 -1.211 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.998 3.380 0.182 1.00 0.00 C ATOM 1988 C LYS A 584 0.175 2.791 0.937 1.00 0.00 C ATOM 1989 O LYS A 584 0.773 1.806 0.513 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.255 2.516 0.332 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.942 2.615 1.683 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.402 1.570 2.625 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.033 0.223 2.341 1.00 0.00 C ATOM 1994 NZ LYS A 584 -2.055 -0.888 2.513 1.00 0.00 N ATOM 0 H LYS A 584 -0.416 2.533 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.224 4.368 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.967 2.799 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -1.986 1.475 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.788 3.608 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -4.017 2.484 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.319 1.501 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -2.603 1.862 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.880 0.069 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.423 0.211 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -2.053 -1.484 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -1.104 -0.494 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.324 -1.463 3.337 1.00 0.00 H new ATOM 2008 N LEU A 585 0.501 3.405 2.042 1.00 0.00 N ATOM 2009 CA LEU A 585 1.608 2.970 2.861 1.00 0.00 C ATOM 2010 C LEU A 585 1.091 2.649 4.237 1.00 0.00 C ATOM 2011 O LEU A 585 0.263 3.374 4.783 1.00 0.00 O ATOM 2012 CB LEU A 585 2.663 4.071 2.930 1.00 0.00 C ATOM 2013 CG LEU A 585 4.052 3.616 3.376 1.00 0.00 C ATOM 2014 CD1 LEU A 585 5.126 4.492 2.751 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.161 3.637 4.892 1.00 0.00 C ATOM 0 H LEU A 585 0.008 4.222 2.403 1.00 0.00 H new ATOM 0 HA LEU A 585 2.068 2.081 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 585 2.748 4.532 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.314 4.844 3.615 1.00 0.00 H new ATOM 0 HG LEU A 585 4.203 2.591 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 585 6.109 4.153 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 585 5.064 4.425 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.977 5.527 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.157 3.310 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 585 3.988 4.650 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.416 2.966 5.320 1.00 0.00 H new ATOM 2027 N VAL A 586 1.556 1.556 4.789 1.00 0.00 N ATOM 2028 CA VAL A 586 1.108 1.140 6.094 1.00 0.00 C ATOM 2029 C VAL A 586 2.272 0.771 6.997 1.00 0.00 C ATOM 2030 O VAL A 586 3.189 0.065 6.583 1.00 0.00 O ATOM 2031 CB VAL A 586 0.153 -0.066 5.969 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.047 -0.759 7.311 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.180 0.373 5.389 1.00 0.00 C ATOM 0 H VAL A 586 2.243 0.939 4.356 1.00 0.00 H new ATOM 0 HA VAL A 586 0.583 1.983 6.543 1.00 0.00 H new ATOM 0 HB VAL A 586 0.610 -0.786 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.725 -1.604 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.913 -1.116 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.473 -0.054 8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.843 -0.489 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.633 1.118 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.022 0.805 4.401 1.00 0.00 H new ATOM 2043 N SER A 587 2.207 1.208 8.246 1.00 0.00 N ATOM 2044 CA SER A 587 3.236 0.863 9.215 1.00 0.00 C ATOM 2045 C SER A 587 2.593 -0.038 10.257 1.00 0.00 C ATOM 2046 O SER A 587 1.482 0.239 10.712 1.00 0.00 O ATOM 2047 CB SER A 587 3.804 2.121 9.875 1.00 0.00 C ATOM 2048 OG SER A 587 5.101 2.414 9.382 1.00 0.00 O ATOM 0 H SER A 587 1.459 1.798 8.610 1.00 0.00 H new ATOM 0 HA SER A 587 4.064 0.354 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 587 3.141 2.965 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.845 1.982 10.955 1.00 0.00 H new ATOM 0 HG SER A 587 5.722 1.707 9.655 1.00 0.00 H new ATOM 2054 N ILE A 588 3.254 -1.128 10.617 1.00 0.00 N ATOM 2055 CA ILE A 588 2.677 -2.047 11.578 1.00 0.00 C ATOM 2056 C ILE A 588 3.648 -2.510 12.638 1.00 0.00 C ATOM 2057 O ILE A 588 4.813 -2.803 12.366 1.00 0.00 O ATOM 2058 CB ILE A 588 2.064 -3.272 10.885 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.038 -3.839 9.857 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.735 -2.914 10.231 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.180 -2.982 8.618 1.00 0.00 C ATOM 0 H ILE A 588 4.174 -1.392 10.264 1.00 0.00 H new ATOM 0 HA ILE A 588 1.897 -1.475 12.080 1.00 0.00 H new ATOM 0 HB ILE A 588 1.872 -4.036 11.638 1.00 0.00 H new ATOM 0 HG12 ILE A 588 4.017 -3.955 10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.704 -4.834 9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.319 -3.797 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.040 -2.556 10.991 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.894 -2.133 9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 588 3.888 -3.448 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.211 -2.886 8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.544 -1.994 8.899 1.00 0.00 H new ATOM 2073 N VAL A 589 3.129 -2.606 13.847 1.00 0.00 N ATOM 2074 CA VAL A 589 3.905 -3.072 14.982 1.00 0.00 C ATOM 2075 C VAL A 589 3.122 -4.108 15.772 1.00 0.00 C ATOM 2076 O VAL A 589 1.898 -4.032 15.879 1.00 0.00 O ATOM 2077 CB VAL A 589 4.322 -1.917 15.911 1.00 0.00 C ATOM 2078 CG1 VAL A 589 3.105 -1.126 16.363 1.00 0.00 C ATOM 2079 CG2 VAL A 589 5.103 -2.440 17.107 1.00 0.00 C ATOM 0 H VAL A 589 2.163 -2.365 14.070 1.00 0.00 H new ATOM 0 HA VAL A 589 4.813 -3.526 14.584 1.00 0.00 H new ATOM 0 HB VAL A 589 4.974 -1.247 15.350 1.00 0.00 H new ATOM 0 HG11 VAL A 589 3.421 -0.315 17.019 1.00 0.00 H new ATOM 0 HG12 VAL A 589 2.596 -0.712 15.492 1.00 0.00 H new ATOM 0 HG13 VAL A 589 2.423 -1.784 16.903 1.00 0.00 H new ATOM 0 HG21 VAL A 589 5.387 -1.606 17.749 1.00 0.00 H new ATOM 0 HG22 VAL A 589 4.482 -3.137 17.670 1.00 0.00 H new ATOM 0 HG23 VAL A 589 6.000 -2.952 16.760 1.00 0.00 H new ATOM 2089 N SER A 590 3.838 -5.078 16.325 1.00 0.00 N ATOM 2090 CA SER A 590 3.211 -6.133 17.108 1.00 0.00 C ATOM 2091 C SER A 590 2.332 -5.541 18.201 1.00 0.00 C ATOM 2092 O SER A 590 2.673 -4.519 18.797 1.00 0.00 O ATOM 2093 CB SER A 590 4.276 -7.040 17.728 1.00 0.00 C ATOM 2094 OG SER A 590 3.719 -8.278 18.135 1.00 0.00 O ATOM 0 H SER A 590 4.852 -5.156 16.246 1.00 0.00 H new ATOM 0 HA SER A 590 2.585 -6.726 16.441 1.00 0.00 H new ATOM 0 HB2 SER A 590 5.073 -7.216 17.006 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.728 -6.542 18.586 1.00 0.00 H new ATOM 0 HG SER A 590 4.421 -8.840 18.526 1.00 0.00 H new