USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 586 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 82 ASN : amide:sc= 0.874 K(o=1.7,f=-1.2) USER MOD Set 1.2: A 129 GLN : amide:sc= 0.866 K(o=1.7,f=-2.6) USER MOD Set 2.1: A 80 SER OG : rot 180:sc= -0.938 USER MOD Set 2.2: A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 67 MET CE :methyl -120:sc= -1.49! (180deg=-2.26) USER MOD Set 3.2: A 112 TYR OH : rot -130:sc= -0.0224 USER MOD Set 4.1: A 63 THR OG1 : rot 180:sc= 0.793 USER MOD Set 4.2: A 66 THR OG1 : rot 86:sc= 0.916 USER MOD Set 5.1: A 58 THR OG1 : rot 17:sc= 0.886 USER MOD Set 5.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 55 TYR OH : rot 180:sc= 1.12 USER MOD Set 6.2: A 75 SER OG : rot 167:sc= 1.23 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.415 K(o=0.41,f=-4.2!) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.08) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -160:sc= -0.16 (180deg=-0.951) USER MOD Single : A 78 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.3) USER MOD Single : A 81 TYR OH : rot -147:sc= -0.599 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 94 SER OG : rot 180:sc= 0.163 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=0.000887 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 100 SER OG : rot 180:sc= 0.343 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.89 K(o=-0.89,f=-5.3!) USER MOD Single : A 106 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 109 SER OG : rot -94:sc= 1.21 USER MOD Single : A 115 GLN : amide:sc= -0.0462 K(o=-0.046,f=-0.64) USER MOD Single : A 118 SER OG : rot -160:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0649 USER MOD Single : A 122 SER OG : rot 180:sc= -0.035 USER MOD Single : A 124 ASN : amide:sc= 0.955 K(o=0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.767 -11.623 -1.531 1.00 10.00 N ATOM 511 CA TYR A 53 0.612 -10.366 -2.248 1.00 10.00 C ATOM 512 C TYR A 53 1.914 -9.972 -2.931 1.00 10.00 C ATOM 513 O TYR A 53 2.980 -9.989 -2.313 1.00 10.00 O ATOM 514 CB TYR A 53 0.168 -9.269 -1.278 1.00 10.00 C ATOM 515 CG TYR A 53 -0.012 -7.903 -1.907 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.745 -7.739 -3.076 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.545 -6.775 -1.321 1.00 10.00 C ATOM 518 CE1 TYR A 53 -0.914 -6.491 -3.642 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.379 -5.524 -1.881 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.350 -5.388 -3.042 1.00 10.00 C ATOM 521 OH TYR A 53 -0.520 -4.142 -3.602 1.00 10.00 O ATOM 0 HA TYR A 53 -0.150 -10.493 -3.017 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -0.773 -9.569 -0.818 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.904 -9.191 -0.477 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.190 -8.602 -3.550 1.00 10.00 H new ATOM 0 HD2 TYR A 53 1.118 -6.878 -0.411 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.486 -6.381 -4.551 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.818 -4.656 -1.411 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.060 -3.472 -3.055 1.00 10.00 H new ATOM 531 N THR A 54 1.824 -9.641 -4.208 1.00 10.00 N ATOM 532 CA THR A 54 2.985 -9.230 -4.969 1.00 10.00 C ATOM 533 C THR A 54 3.234 -7.740 -4.785 1.00 10.00 C ATOM 534 O THR A 54 2.384 -6.911 -5.108 1.00 10.00 O ATOM 535 CB THR A 54 2.811 -9.530 -6.469 1.00 10.00 C ATOM 536 OG1 THR A 54 2.322 -10.869 -6.649 1.00 10.00 O ATOM 537 CG2 THR A 54 4.128 -9.357 -7.218 1.00 10.00 C ATOM 0 H THR A 54 0.953 -9.650 -4.739 1.00 10.00 H new ATOM 0 HA THR A 54 3.838 -9.798 -4.597 1.00 10.00 H new ATOM 0 HB THR A 54 2.089 -8.822 -6.875 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.212 -11.051 -7.606 1.00 10.00 H new ATOM 0 HG21 THR A 54 3.977 -9.575 -8.275 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.478 -8.331 -7.106 1.00 10.00 H new ATOM 0 HG23 THR A 54 4.872 -10.041 -6.809 1.00 10.00 H new ATOM 545 N TYR A 55 4.390 -7.411 -4.248 1.00 10.00 N ATOM 546 CA TYR A 55 4.765 -6.028 -4.034 1.00 10.00 C ATOM 547 C TYR A 55 5.458 -5.505 -5.279 1.00 10.00 C ATOM 548 O TYR A 55 6.540 -5.973 -5.642 1.00 10.00 O ATOM 549 CB TYR A 55 5.674 -5.904 -2.812 1.00 10.00 C ATOM 550 CG TYR A 55 4.997 -6.315 -1.528 1.00 10.00 C ATOM 551 CD1 TYR A 55 4.238 -5.408 -0.803 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.110 -7.612 -1.046 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.610 -5.778 0.370 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.484 -7.993 0.124 1.00 10.00 C ATOM 555 CZ TYR A 55 3.735 -7.072 0.830 1.00 10.00 C ATOM 556 OH TYR A 55 3.107 -7.445 2.000 1.00 10.00 O ATOM 0 H TYR A 55 5.092 -8.088 -3.949 1.00 10.00 H new ATOM 0 HA TYR A 55 3.872 -5.432 -3.844 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.561 -6.520 -2.962 1.00 10.00 H new ATOM 0 HB3 TYR A 55 6.014 -4.872 -2.723 1.00 10.00 H new ATOM 0 HD1 TYR A 55 4.136 -4.395 -1.162 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.697 -8.334 -1.595 1.00 10.00 H new ATOM 0 HE1 TYR A 55 3.025 -5.059 0.923 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.579 -9.006 0.485 1.00 10.00 H new ATOM 0 HH TYR A 55 3.293 -8.389 2.185 1.00 10.00 H new ATOM 566 N GLN A 56 4.812 -4.564 -5.944 1.00 10.00 N ATOM 567 CA GLN A 56 5.342 -3.986 -7.167 1.00 10.00 C ATOM 568 C GLN A 56 4.799 -2.575 -7.355 1.00 10.00 C ATOM 569 O GLN A 56 3.769 -2.221 -6.776 1.00 10.00 O ATOM 570 CB GLN A 56 4.934 -4.859 -8.358 1.00 10.00 C ATOM 571 CG GLN A 56 5.694 -4.559 -9.638 1.00 10.00 C ATOM 572 CD GLN A 56 4.903 -4.908 -10.880 1.00 10.00 C ATOM 573 OE1 GLN A 56 4.978 -6.027 -11.386 1.00 10.00 O ATOM 574 NE2 GLN A 56 4.136 -3.953 -11.380 1.00 10.00 N ATOM 0 H GLN A 56 3.912 -4.181 -5.655 1.00 10.00 H new ATOM 0 HA GLN A 56 6.429 -3.940 -7.102 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.085 -5.906 -8.096 1.00 10.00 H new ATOM 0 HB3 GLN A 56 3.868 -4.728 -8.542 1.00 10.00 H new ATOM 0 HG2 GLN A 56 5.953 -3.501 -9.663 1.00 10.00 H new ATOM 0 HG3 GLN A 56 6.630 -5.117 -9.639 1.00 10.00 H new ATOM 0 HE21 GLN A 56 4.102 -3.038 -10.930 1.00 10.00 H new ATOM 0 HE22 GLN A 56 3.579 -4.132 -12.215 1.00 10.00 H new ATOM 583 N ALA A 57 5.495 -1.770 -8.146 1.00 10.00 N ATOM 584 CA ALA A 57 5.048 -0.416 -8.422 1.00 10.00 C ATOM 585 C ALA A 57 3.862 -0.475 -9.377 1.00 10.00 C ATOM 586 O ALA A 57 3.854 -1.273 -10.317 1.00 10.00 O ATOM 587 CB ALA A 57 6.179 0.414 -9.005 1.00 10.00 C ATOM 0 H ALA A 57 6.367 -2.032 -8.605 1.00 10.00 H new ATOM 0 HA ALA A 57 4.738 0.064 -7.494 1.00 10.00 H new ATOM 0 HB1 ALA A 57 5.823 1.425 -9.205 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.005 0.454 -8.295 1.00 10.00 H new ATOM 0 HB3 ALA A 57 6.522 -0.040 -9.935 1.00 10.00 H new ATOM 593 N THR A 58 2.867 0.356 -9.132 1.00 10.00 N ATOM 594 CA THR A 58 1.661 0.362 -9.941 1.00 10.00 C ATOM 595 C THR A 58 1.360 1.756 -10.478 1.00 10.00 C ATOM 596 O THR A 58 1.862 2.743 -9.961 1.00 10.00 O ATOM 597 CB THR A 58 0.466 -0.115 -9.096 1.00 10.00 C ATOM 598 OG1 THR A 58 0.461 0.572 -7.834 1.00 10.00 O ATOM 599 CG2 THR A 58 0.530 -1.615 -8.859 1.00 10.00 C ATOM 0 H THR A 58 2.870 1.040 -8.375 1.00 10.00 H new ATOM 0 HA THR A 58 1.821 -0.310 -10.784 1.00 10.00 H new ATOM 0 HB THR A 58 -0.451 0.109 -9.642 1.00 10.00 H new ATOM 0 HG1 THR A 58 1.029 1.368 -7.893 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.326 -1.925 -8.260 1.00 10.00 H new ATOM 0 HG22 THR A 58 0.511 -2.136 -9.816 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.451 -1.861 -8.331 1.00 10.00 H new ATOM 607 N PRO A 59 0.524 1.869 -11.516 1.00 10.00 N ATOM 608 CA PRO A 59 0.164 3.167 -12.080 1.00 10.00 C ATOM 609 C PRO A 59 -0.834 3.925 -11.203 1.00 10.00 C ATOM 610 O PRO A 59 -1.419 4.917 -11.633 1.00 10.00 O ATOM 611 CB PRO A 59 -0.474 2.801 -13.419 1.00 10.00 C ATOM 612 CG PRO A 59 -1.041 1.441 -13.205 1.00 10.00 C ATOM 613 CD PRO A 59 -0.111 0.753 -12.244 1.00 10.00 C ATOM 0 HA PRO A 59 1.026 3.829 -12.167 1.00 10.00 H new ATOM 0 HB2 PRO A 59 -1.250 3.515 -13.697 1.00 10.00 H new ATOM 0 HB3 PRO A 59 0.263 2.802 -14.223 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -2.051 1.498 -12.798 1.00 10.00 H new ATOM 0 HG3 PRO A 59 -1.107 0.893 -14.145 1.00 10.00 H new ATOM 0 HD2 PRO A 59 -0.651 0.090 -11.569 1.00 10.00 H new ATOM 0 HD3 PRO A 59 0.627 0.144 -12.767 1.00 10.00 H new ATOM 621 N MET A 60 -1.035 3.451 -9.975 1.00 10.00 N ATOM 622 CA MET A 60 -1.972 4.085 -9.059 1.00 10.00 C ATOM 623 C MET A 60 -1.271 4.757 -7.882 1.00 10.00 C ATOM 624 O MET A 60 -1.869 5.590 -7.204 1.00 10.00 O ATOM 625 CB MET A 60 -2.989 3.066 -8.541 1.00 10.00 C ATOM 626 CG MET A 60 -2.380 1.987 -7.662 1.00 10.00 C ATOM 627 SD MET A 60 -3.616 1.043 -6.749 1.00 10.00 S ATOM 628 CE MET A 60 -2.600 -0.270 -6.071 1.00 10.00 C ATOM 0 H MET A 60 -0.561 2.632 -9.595 1.00 10.00 H new ATOM 0 HA MET A 60 -2.487 4.862 -9.624 1.00 10.00 H new ATOM 0 HB2 MET A 60 -3.760 3.590 -7.976 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.482 2.594 -9.391 1.00 10.00 H new ATOM 0 HG2 MET A 60 -1.796 1.307 -8.282 1.00 10.00 H new ATOM 0 HG3 MET A 60 -1.688 2.448 -6.957 1.00 10.00 H new ATOM 0 HE1 MET A 60 -3.221 -0.941 -5.478 1.00 10.00 H new ATOM 0 HE2 MET A 60 -2.137 -0.828 -6.884 1.00 10.00 H new ATOM 0 HE3 MET A 60 -1.824 0.160 -5.438 1.00 10.00 H new ATOM 638 N ASP A 61 -0.013 4.411 -7.628 1.00 10.00 N ATOM 639 CA ASP A 61 0.705 5.021 -6.512 1.00 10.00 C ATOM 640 C ASP A 61 1.139 6.435 -6.862 1.00 10.00 C ATOM 641 O ASP A 61 0.713 7.402 -6.230 1.00 10.00 O ATOM 642 CB ASP A 61 1.919 4.190 -6.077 1.00 10.00 C ATOM 643 CG ASP A 61 2.596 3.463 -7.216 1.00 10.00 C ATOM 644 OD1 ASP A 61 3.224 4.128 -8.065 1.00 10.00 O ATOM 645 OD2 ASP A 61 2.489 2.217 -7.269 1.00 10.00 O ATOM 0 H ASP A 61 0.521 3.728 -8.165 1.00 10.00 H new ATOM 0 HA ASP A 61 0.013 5.055 -5.671 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.643 4.846 -5.595 1.00 10.00 H new ATOM 0 HB3 ASP A 61 1.601 3.462 -5.330 1.00 10.00 H new ATOM 650 N GLY A 62 1.968 6.558 -7.878 1.00 10.00 N ATOM 651 CA GLY A 62 2.444 7.860 -8.290 1.00 10.00 C ATOM 652 C GLY A 62 3.761 8.216 -7.635 1.00 10.00 C ATOM 653 O GLY A 62 4.731 8.547 -8.317 1.00 10.00 O ATOM 0 H GLY A 62 2.324 5.777 -8.430 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.562 7.877 -9.373 1.00 10.00 H new ATOM 0 HA3 GLY A 62 1.699 8.615 -8.039 1.00 10.00 H new ATOM 657 N THR A 63 3.806 8.141 -6.310 1.00 10.00 N ATOM 658 CA THR A 63 5.021 8.465 -5.579 1.00 10.00 C ATOM 659 C THR A 63 5.416 7.329 -4.642 1.00 10.00 C ATOM 660 O THR A 63 4.621 6.424 -4.379 1.00 10.00 O ATOM 661 CB THR A 63 4.872 9.770 -4.761 1.00 10.00 C ATOM 662 OG1 THR A 63 3.887 9.610 -3.729 1.00 10.00 O ATOM 663 CG2 THR A 63 4.479 10.937 -5.654 1.00 10.00 C ATOM 0 H THR A 63 3.019 7.860 -5.725 1.00 10.00 H new ATOM 0 HA THR A 63 5.803 8.610 -6.324 1.00 10.00 H new ATOM 0 HB THR A 63 5.840 9.984 -4.308 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.807 10.444 -3.221 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.382 11.840 -5.051 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.246 11.089 -6.413 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.527 10.720 -6.138 1.00 10.00 H new ATOM 671 N LEU A 64 6.646 7.394 -4.139 1.00 10.00 N ATOM 672 CA LEU A 64 7.176 6.384 -3.231 1.00 10.00 C ATOM 673 C LEU A 64 6.283 6.222 -2.006 1.00 10.00 C ATOM 674 O LEU A 64 5.968 5.104 -1.598 1.00 10.00 O ATOM 675 CB LEU A 64 8.590 6.771 -2.790 1.00 10.00 C ATOM 676 CG LEU A 64 9.216 5.861 -1.731 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.372 4.444 -2.264 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.554 6.424 -1.274 1.00 10.00 C ATOM 0 H LEU A 64 7.301 8.147 -4.350 1.00 10.00 H new ATOM 0 HA LEU A 64 7.205 5.433 -3.762 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.237 6.779 -3.667 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.566 7.789 -2.402 1.00 10.00 H new ATOM 0 HG LEU A 64 8.551 5.822 -0.869 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.819 3.813 -1.495 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.394 4.047 -2.535 1.00 10.00 H new ATOM 0 HD13 LEU A 64 10.016 4.455 -3.144 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.987 5.766 -0.521 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.230 6.494 -2.127 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.405 7.416 -0.847 1.00 10.00 H new ATOM 690 N LYS A 65 5.873 7.348 -1.435 1.00 10.00 N ATOM 691 CA LYS A 65 5.021 7.350 -0.255 1.00 10.00 C ATOM 692 C LYS A 65 3.742 6.566 -0.515 1.00 10.00 C ATOM 693 O LYS A 65 3.430 5.622 0.205 1.00 10.00 O ATOM 694 CB LYS A 65 4.688 8.789 0.144 1.00 10.00 C ATOM 695 CG LYS A 65 4.708 9.025 1.647 1.00 10.00 C ATOM 696 CD LYS A 65 3.416 8.577 2.310 1.00 10.00 C ATOM 697 CE LYS A 65 3.444 8.833 3.807 1.00 10.00 C ATOM 698 NZ LYS A 65 2.109 8.647 4.433 1.00 10.00 N ATOM 0 H LYS A 65 6.120 8.278 -1.774 1.00 10.00 H new ATOM 0 HA LYS A 65 5.557 6.869 0.563 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.401 9.463 -0.331 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.702 9.045 -0.242 1.00 10.00 H new ATOM 0 HG2 LYS A 65 5.547 8.487 2.088 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.869 10.085 1.846 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.574 9.107 1.864 1.00 10.00 H new ATOM 0 HD3 LYS A 65 3.259 7.515 2.124 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.161 8.159 4.276 1.00 10.00 H new ATOM 0 HE3 LYS A 65 3.793 9.849 3.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 2.047 9.223 5.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 1.368 8.943 3.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 1.976 7.645 4.676 1.00 10.00 H new ATOM 712 N THR A 66 3.033 6.941 -1.571 1.00 10.00 N ATOM 713 CA THR A 66 1.783 6.289 -1.937 1.00 10.00 C ATOM 714 C THR A 66 1.991 4.807 -2.244 1.00 10.00 C ATOM 715 O THR A 66 1.138 3.975 -1.936 1.00 10.00 O ATOM 716 CB THR A 66 1.162 6.981 -3.160 1.00 10.00 C ATOM 717 OG1 THR A 66 1.571 8.353 -3.184 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.357 6.904 -3.125 1.00 10.00 C ATOM 0 H THR A 66 3.306 7.701 -2.195 1.00 10.00 H new ATOM 0 HA THR A 66 1.109 6.371 -1.085 1.00 10.00 H new ATOM 0 HB THR A 66 1.507 6.469 -4.058 1.00 10.00 H new ATOM 0 HG1 THR A 66 2.434 8.429 -3.642 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.767 7.402 -4.003 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.668 5.859 -3.122 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.726 7.395 -2.224 1.00 10.00 H new ATOM 726 N MET A 67 3.128 4.484 -2.851 1.00 10.00 N ATOM 727 CA MET A 67 3.445 3.103 -3.190 1.00 10.00 C ATOM 728 C MET A 67 3.582 2.270 -1.926 1.00 10.00 C ATOM 729 O MET A 67 2.961 1.217 -1.794 1.00 10.00 O ATOM 730 CB MET A 67 4.738 3.032 -4.005 1.00 10.00 C ATOM 731 CG MET A 67 4.965 1.681 -4.662 1.00 10.00 C ATOM 732 SD MET A 67 6.523 1.601 -5.565 1.00 10.00 S ATOM 733 CE MET A 67 7.701 1.614 -4.216 1.00 10.00 C ATOM 0 H MET A 67 3.844 5.160 -3.118 1.00 10.00 H new ATOM 0 HA MET A 67 2.631 2.702 -3.793 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.716 3.803 -4.775 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.582 3.257 -3.353 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.952 0.903 -3.898 1.00 10.00 H new ATOM 0 HG3 MET A 67 4.142 1.471 -5.345 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.354 2.482 -4.311 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.167 1.664 -3.267 1.00 10.00 H new ATOM 0 HE3 MET A 67 8.300 0.704 -4.247 1.00 10.00 H new ATOM 743 N LEU A 68 4.382 2.763 -0.989 1.00 10.00 N ATOM 744 CA LEU A 68 4.601 2.071 0.273 1.00 10.00 C ATOM 745 C LEU A 68 3.306 2.008 1.071 1.00 10.00 C ATOM 746 O LEU A 68 3.040 1.026 1.770 1.00 10.00 O ATOM 747 CB LEU A 68 5.693 2.771 1.082 1.00 10.00 C ATOM 748 CG LEU A 68 7.049 2.878 0.381 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.993 3.756 1.183 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.654 1.498 0.164 1.00 10.00 C ATOM 0 H LEU A 68 4.891 3.642 -1.081 1.00 10.00 H new ATOM 0 HA LEU A 68 4.928 1.053 0.060 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.351 3.775 1.334 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.828 2.235 2.022 1.00 10.00 H new ATOM 0 HG LEU A 68 6.895 3.338 -0.595 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.953 3.821 0.670 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.566 4.754 1.282 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.139 3.324 2.173 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.618 1.598 -0.336 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.794 1.006 1.127 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.985 0.900 -0.455 1.00 10.00 H new ATOM 762 N GLU A 69 2.502 3.064 0.953 1.00 10.00 N ATOM 763 CA GLU A 69 1.220 3.137 1.638 1.00 10.00 C ATOM 764 C GLU A 69 0.324 1.992 1.196 1.00 10.00 C ATOM 765 O GLU A 69 -0.226 1.271 2.024 1.00 10.00 O ATOM 766 CB GLU A 69 0.520 4.464 1.342 1.00 10.00 C ATOM 767 CG GLU A 69 1.060 5.643 2.132 1.00 10.00 C ATOM 768 CD GLU A 69 0.707 5.571 3.602 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.350 5.001 3.936 1.00 10.00 O ATOM 770 OE2 GLU A 69 1.479 6.094 4.428 1.00 10.00 O ATOM 0 H GLU A 69 2.721 3.883 0.385 1.00 10.00 H new ATOM 0 HA GLU A 69 1.407 3.065 2.709 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.613 4.681 0.278 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.544 4.356 1.554 1.00 10.00 H new ATOM 0 HG2 GLU A 69 2.144 5.682 2.024 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.665 6.568 1.712 1.00 10.00 H new ATOM 777 N ARG A 70 0.203 1.820 -0.118 1.00 10.00 N ATOM 778 CA ARG A 70 -0.628 0.764 -0.686 1.00 10.00 C ATOM 779 C ARG A 70 -0.064 -0.614 -0.366 1.00 10.00 C ATOM 780 O ARG A 70 -0.813 -1.541 -0.054 1.00 10.00 O ATOM 781 CB ARG A 70 -0.753 0.941 -2.202 1.00 10.00 C ATOM 782 CG ARG A 70 -1.914 1.831 -2.618 1.00 10.00 C ATOM 783 CD ARG A 70 -3.250 1.138 -2.403 1.00 10.00 C ATOM 784 NE ARG A 70 -4.381 2.040 -2.630 1.00 10.00 N ATOM 785 CZ ARG A 70 -5.645 1.639 -2.748 1.00 10.00 C ATOM 786 NH1 ARG A 70 -5.951 0.352 -2.663 1.00 10.00 N ATOM 787 NH2 ARG A 70 -6.608 2.528 -2.952 1.00 10.00 N ATOM 0 H ARG A 70 0.673 2.402 -0.812 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.618 0.839 -0.236 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.175 1.364 -2.588 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -0.873 -0.038 -2.665 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -1.887 2.758 -2.045 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.808 2.102 -3.668 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -3.327 0.284 -3.076 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -3.296 0.748 -1.386 1.00 10.00 H new ATOM 0 HE ARG A 70 -4.188 3.039 -2.702 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -5.216 -0.338 -2.506 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -6.921 0.051 -2.754 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.380 3.520 -3.019 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.576 2.220 -3.042 1.00 10.00 H new ATOM 801 N TRP A 71 1.257 -0.739 -0.445 1.00 10.00 N ATOM 802 CA TRP A 71 1.932 -2.002 -0.160 1.00 10.00 C ATOM 803 C TRP A 71 1.608 -2.484 1.251 1.00 10.00 C ATOM 804 O TRP A 71 1.146 -3.609 1.450 1.00 10.00 O ATOM 805 CB TRP A 71 3.450 -1.845 -0.301 1.00 10.00 C ATOM 806 CG TRP A 71 3.944 -1.878 -1.716 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.193 -1.842 -2.856 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.310 -1.955 -2.138 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.010 -1.887 -3.960 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.314 -1.960 -3.545 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.531 -2.019 -1.461 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.491 -2.027 -4.287 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.698 -2.086 -2.199 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.671 -2.090 -3.598 1.00 10.00 C ATOM 0 H TRP A 71 1.884 0.022 -0.705 1.00 10.00 H new ATOM 0 HA TRP A 71 1.575 -2.738 -0.880 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.750 -0.901 0.154 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.940 -2.640 0.261 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.115 -1.786 -2.886 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.697 -1.869 -4.931 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.562 -2.016 -0.381 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.473 -2.029 -5.367 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.647 -2.136 -1.687 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.601 -2.144 -4.145 1.00 10.00 H new ATOM 825 N ALA A 72 1.851 -1.618 2.224 1.00 10.00 N ATOM 826 CA ALA A 72 1.601 -1.942 3.617 1.00 10.00 C ATOM 827 C ALA A 72 0.113 -2.085 3.910 1.00 10.00 C ATOM 828 O ALA A 72 -0.292 -3.011 4.607 1.00 10.00 O ATOM 829 CB ALA A 72 2.211 -0.882 4.517 1.00 10.00 C ATOM 0 H ALA A 72 2.223 -0.681 2.071 1.00 10.00 H new ATOM 0 HA ALA A 72 2.070 -2.905 3.820 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.018 -1.135 5.560 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.287 -0.837 4.348 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.767 0.087 4.290 1.00 10.00 H new ATOM 835 N ALA A 73 -0.694 -1.184 3.361 1.00 10.00 N ATOM 836 CA ALA A 73 -2.138 -1.197 3.592 1.00 10.00 C ATOM 837 C ALA A 73 -2.783 -2.515 3.185 1.00 10.00 C ATOM 838 O ALA A 73 -3.662 -3.021 3.885 1.00 10.00 O ATOM 839 CB ALA A 73 -2.803 -0.051 2.851 1.00 10.00 C ATOM 0 H ALA A 73 -0.374 -0.432 2.751 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.286 -1.077 4.665 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -3.877 -0.075 3.033 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.396 0.896 3.205 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.614 -0.150 1.782 1.00 10.00 H new ATOM 845 N ASP A 74 -2.349 -3.073 2.061 1.00 10.00 N ATOM 846 CA ASP A 74 -2.911 -4.328 1.569 1.00 10.00 C ATOM 847 C ASP A 74 -2.709 -5.460 2.572 1.00 10.00 C ATOM 848 O ASP A 74 -3.601 -6.284 2.785 1.00 10.00 O ATOM 849 CB ASP A 74 -2.293 -4.712 0.227 1.00 10.00 C ATOM 850 CG ASP A 74 -3.108 -5.767 -0.495 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.056 -6.950 -0.097 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.814 -5.414 -1.464 1.00 10.00 O ATOM 0 H ASP A 74 -1.613 -2.680 1.474 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.982 -4.172 1.435 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.211 -3.825 -0.401 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.281 -5.083 0.387 1.00 10.00 H new ATOM 857 N SER A 75 -1.547 -5.484 3.204 1.00 10.00 N ATOM 858 CA SER A 75 -1.232 -6.524 4.172 1.00 10.00 C ATOM 859 C SER A 75 -1.483 -6.047 5.604 1.00 10.00 C ATOM 860 O SER A 75 -1.078 -6.703 6.564 1.00 10.00 O ATOM 861 CB SER A 75 0.221 -6.960 3.991 1.00 10.00 C ATOM 862 OG SER A 75 0.501 -7.207 2.622 1.00 10.00 O ATOM 0 H SER A 75 -0.806 -4.796 3.065 1.00 10.00 H new ATOM 0 HA SER A 75 -1.888 -7.376 3.997 1.00 10.00 H new ATOM 0 HB2 SER A 75 0.889 -6.186 4.371 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.412 -7.860 4.575 1.00 10.00 H new ATOM 0 HG SER A 75 1.470 -7.276 2.494 1.00 10.00 H new ATOM 868 N ASN A 76 -2.161 -4.905 5.727 1.00 10.00 N ATOM 869 CA ASN A 76 -2.490 -4.309 7.024 1.00 10.00 C ATOM 870 C ASN A 76 -1.239 -4.078 7.868 1.00 10.00 C ATOM 871 O ASN A 76 -1.240 -4.293 9.083 1.00 10.00 O ATOM 872 CB ASN A 76 -3.493 -5.181 7.784 1.00 10.00 C ATOM 873 CG ASN A 76 -4.909 -4.641 7.700 1.00 10.00 C ATOM 874 OD1 ASN A 76 -5.651 -4.955 6.767 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.296 -3.825 8.670 1.00 10.00 N ATOM 0 H ASN A 76 -2.498 -4.366 4.929 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.947 -3.339 6.831 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.469 -6.193 7.381 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -3.194 -5.247 8.830 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -6.238 -3.433 8.661 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -4.652 -3.589 9.425 1.00 10.00 H new ATOM 882 N MET A 77 -0.177 -3.637 7.214 1.00 10.00 N ATOM 883 CA MET A 77 1.082 -3.361 7.888 1.00 10.00 C ATOM 884 C MET A 77 1.242 -1.860 8.069 1.00 10.00 C ATOM 885 O MET A 77 0.553 -1.074 7.418 1.00 10.00 O ATOM 886 CB MET A 77 2.264 -3.923 7.096 1.00 10.00 C ATOM 887 CG MET A 77 2.241 -5.437 6.946 1.00 10.00 C ATOM 888 SD MET A 77 3.878 -6.185 7.077 1.00 10.00 S ATOM 889 CE MET A 77 4.842 -5.092 6.034 1.00 10.00 C ATOM 0 H MET A 77 -0.162 -3.461 6.209 1.00 10.00 H new ATOM 0 HA MET A 77 1.068 -3.848 8.863 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.273 -3.470 6.105 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.191 -3.630 7.589 1.00 10.00 H new ATOM 0 HG2 MET A 77 1.591 -5.862 7.711 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.807 -5.694 5.980 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.758 -5.597 5.726 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.261 -4.825 5.152 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.095 -4.189 6.589 1.00 10.00 H new ATOM 899 N GLN A 78 2.155 -1.464 8.936 1.00 10.00 N ATOM 900 CA GLN A 78 2.375 -0.055 9.212 1.00 10.00 C ATOM 901 C GLN A 78 3.537 0.485 8.392 1.00 10.00 C ATOM 902 O GLN A 78 4.397 -0.276 7.941 1.00 10.00 O ATOM 903 CB GLN A 78 2.632 0.152 10.707 1.00 10.00 C ATOM 904 CG GLN A 78 1.425 -0.161 11.576 1.00 10.00 C ATOM 905 CD GLN A 78 1.228 -1.646 11.803 1.00 10.00 C ATOM 906 OE1 GLN A 78 2.189 -2.404 11.926 1.00 10.00 O ATOM 907 NE2 GLN A 78 -0.022 -2.072 11.839 1.00 10.00 N ATOM 0 H GLN A 78 2.757 -2.098 9.462 1.00 10.00 H new ATOM 0 HA GLN A 78 1.479 0.496 8.928 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.466 -0.479 11.015 1.00 10.00 H new ATOM 0 HB3 GLN A 78 2.934 1.185 10.876 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.539 0.336 12.539 1.00 10.00 H new ATOM 0 HG3 GLN A 78 0.531 0.251 11.108 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -0.790 -1.409 11.733 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -0.219 -3.064 11.973 1.00 10.00 H new ATOM 916 N LEU A 79 3.561 1.794 8.196 1.00 10.00 N ATOM 917 CA LEU A 79 4.616 2.431 7.426 1.00 10.00 C ATOM 918 C LEU A 79 5.225 3.589 8.205 1.00 10.00 C ATOM 919 O LEU A 79 4.522 4.355 8.860 1.00 10.00 O ATOM 920 CB LEU A 79 4.076 2.933 6.078 1.00 10.00 C ATOM 921 CG LEU A 79 5.041 3.808 5.267 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.199 2.979 4.738 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.314 4.493 4.121 1.00 10.00 C ATOM 0 H LEU A 79 2.859 2.437 8.561 1.00 10.00 H new ATOM 0 HA LEU A 79 5.391 1.688 7.238 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.799 2.070 5.473 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.163 3.501 6.260 1.00 10.00 H new ATOM 0 HG LEU A 79 5.439 4.576 5.929 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.872 3.617 4.166 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.741 2.537 5.574 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.816 2.187 4.095 1.00 10.00 H new ATOM 0 HD21 LEU A 79 5.017 5.108 3.560 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.884 3.740 3.461 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.519 5.123 4.519 1.00 10.00 H new ATOM 935 N SER A 80 6.537 3.686 8.144 1.00 10.00 N ATOM 936 CA SER A 80 7.269 4.744 8.804 1.00 10.00 C ATOM 937 C SER A 80 8.064 5.524 7.765 1.00 10.00 C ATOM 938 O SER A 80 9.161 5.128 7.372 1.00 10.00 O ATOM 939 CB SER A 80 8.197 4.156 9.874 1.00 10.00 C ATOM 940 OG SER A 80 7.855 4.632 11.169 1.00 10.00 O ATOM 0 H SER A 80 7.127 3.030 7.633 1.00 10.00 H new ATOM 0 HA SER A 80 6.572 5.421 9.299 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.134 3.068 9.855 1.00 10.00 H new ATOM 0 HB3 SER A 80 9.230 4.420 9.648 1.00 10.00 H new ATOM 0 HG SER A 80 8.461 4.240 11.832 1.00 10.00 H new ATOM 946 N TYR A 81 7.490 6.624 7.313 1.00 10.00 N ATOM 947 CA TYR A 81 8.115 7.468 6.312 1.00 10.00 C ATOM 948 C TYR A 81 8.862 8.604 6.993 1.00 10.00 C ATOM 949 O TYR A 81 8.265 9.608 7.380 1.00 10.00 O ATOM 950 CB TYR A 81 7.042 8.019 5.372 1.00 10.00 C ATOM 951 CG TYR A 81 7.562 8.479 4.027 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.914 7.562 3.045 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.683 9.829 3.735 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.376 7.981 1.809 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.138 10.256 2.503 1.00 10.00 C ATOM 956 CZ TYR A 81 8.484 9.331 1.544 1.00 10.00 C ATOM 957 OH TYR A 81 8.935 9.760 0.315 1.00 10.00 O ATOM 0 H TYR A 81 6.579 6.957 7.629 1.00 10.00 H new ATOM 0 HA TYR A 81 8.828 6.884 5.730 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.287 7.249 5.212 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.544 8.857 5.861 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.826 6.505 3.249 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.417 10.560 4.484 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.650 7.256 1.057 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.222 11.312 2.293 1.00 10.00 H new ATOM 0 HH TYR A 81 9.437 10.595 0.424 1.00 10.00 H new ATOM 967 N ASN A 82 10.167 8.442 7.137 1.00 10.00 N ATOM 968 CA ASN A 82 10.986 9.450 7.791 1.00 10.00 C ATOM 969 C ASN A 82 11.737 10.282 6.769 1.00 10.00 C ATOM 970 O ASN A 82 12.891 10.652 6.979 1.00 10.00 O ATOM 971 CB ASN A 82 11.965 8.796 8.765 1.00 10.00 C ATOM 972 CG ASN A 82 11.277 8.262 10.005 1.00 10.00 C ATOM 973 OD1 ASN A 82 10.248 8.785 10.440 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.843 7.220 10.586 1.00 10.00 N ATOM 0 H ASN A 82 10.681 7.624 6.811 1.00 10.00 H new ATOM 0 HA ASN A 82 10.325 10.111 8.352 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.484 7.981 8.261 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.722 9.523 9.058 1.00 10.00 H new ATOM 0 HD21 ASN A 82 11.429 6.818 11.427 1.00 10.00 H new ATOM 0 HD22 ASN A 82 12.694 6.817 10.194 1.00 10.00 H new ATOM 981 N LEU A 83 11.082 10.572 5.659 1.00 10.00 N ATOM 982 CA LEU A 83 11.689 11.379 4.620 1.00 10.00 C ATOM 983 C LEU A 83 11.067 12.767 4.639 1.00 10.00 C ATOM 984 O LEU A 83 9.867 12.904 4.870 1.00 10.00 O ATOM 985 CB LEU A 83 11.515 10.735 3.242 1.00 10.00 C ATOM 986 CG LEU A 83 12.086 9.320 3.096 1.00 10.00 C ATOM 987 CD1 LEU A 83 12.019 8.875 1.646 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.519 9.254 3.605 1.00 10.00 C ATOM 0 H LEU A 83 10.132 10.261 5.456 1.00 10.00 H new ATOM 0 HA LEU A 83 12.759 11.453 4.814 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.451 10.704 3.007 1.00 10.00 H new ATOM 0 HB3 LEU A 83 11.988 11.377 2.498 1.00 10.00 H new ATOM 0 HG LEU A 83 11.482 8.644 3.701 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.427 7.869 1.555 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.981 8.877 1.312 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.600 9.560 1.028 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.900 8.239 3.490 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.141 9.942 3.032 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.544 9.534 4.658 1.00 10.00 H new ATOM 1000 N PRO A 84 11.874 13.811 4.401 1.00 10.00 N ATOM 1001 CA PRO A 84 11.399 15.203 4.412 1.00 10.00 C ATOM 1002 C PRO A 84 10.322 15.483 3.364 1.00 10.00 C ATOM 1003 O PRO A 84 9.465 16.346 3.559 1.00 10.00 O ATOM 1004 CB PRO A 84 12.662 16.018 4.108 1.00 10.00 C ATOM 1005 CG PRO A 84 13.603 15.053 3.475 1.00 10.00 C ATOM 1006 CD PRO A 84 13.314 13.725 4.107 1.00 10.00 C ATOM 0 HA PRO A 84 10.927 15.450 5.363 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.443 16.851 3.440 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.086 16.443 5.018 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.454 15.013 2.396 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.638 15.349 3.643 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.541 12.898 3.434 1.00 10.00 H new ATOM 0 HD3 PRO A 84 13.903 13.570 5.011 1.00 10.00 H new ATOM 1014 N SER A 85 10.370 14.769 2.247 1.00 10.00 N ATOM 1015 CA SER A 85 9.390 14.965 1.185 1.00 10.00 C ATOM 1016 C SER A 85 9.066 13.650 0.471 1.00 10.00 C ATOM 1017 O SER A 85 9.765 12.647 0.642 1.00 10.00 O ATOM 1018 CB SER A 85 9.915 15.995 0.181 1.00 10.00 C ATOM 1019 OG SER A 85 10.407 17.151 0.846 1.00 10.00 O ATOM 0 H SER A 85 11.071 14.054 2.053 1.00 10.00 H new ATOM 0 HA SER A 85 8.469 15.333 1.637 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.709 15.551 -0.419 1.00 10.00 H new ATOM 0 HB3 SER A 85 9.117 16.278 -0.506 1.00 10.00 H new ATOM 0 HG SER A 85 10.738 17.793 0.184 1.00 10.00 H new ATOM 1025 N ASP A 86 8.000 13.663 -0.320 1.00 10.00 N ATOM 1026 CA ASP A 86 7.582 12.487 -1.073 1.00 10.00 C ATOM 1027 C ASP A 86 8.154 12.564 -2.479 1.00 10.00 C ATOM 1028 O ASP A 86 7.946 13.552 -3.184 1.00 10.00 O ATOM 1029 CB ASP A 86 6.052 12.386 -1.150 1.00 10.00 C ATOM 1030 CG ASP A 86 5.351 12.930 0.078 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.342 12.246 1.120 1.00 10.00 O ATOM 1032 OD2 ASP A 86 4.797 14.050 0.003 1.00 10.00 O ATOM 0 H ASP A 86 7.406 14.481 -0.457 1.00 10.00 H new ATOM 0 HA ASP A 86 7.955 11.601 -0.560 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.703 12.928 -2.029 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.771 11.342 -1.287 1.00 10.00 H new ATOM 1037 N TYR A 87 8.875 11.535 -2.887 1.00 10.00 N ATOM 1038 CA TYR A 87 9.487 11.519 -4.206 1.00 10.00 C ATOM 1039 C TYR A 87 8.805 10.498 -5.103 1.00 10.00 C ATOM 1040 O TYR A 87 8.173 9.560 -4.616 1.00 10.00 O ATOM 1041 CB TYR A 87 10.980 11.207 -4.080 1.00 10.00 C ATOM 1042 CG TYR A 87 11.639 11.922 -2.920 1.00 10.00 C ATOM 1043 CD1 TYR A 87 11.810 13.298 -2.939 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.073 11.221 -1.801 1.00 10.00 C ATOM 1045 CE1 TYR A 87 12.394 13.960 -1.876 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.661 11.874 -0.735 1.00 10.00 C ATOM 1047 CZ TYR A 87 12.819 13.243 -0.775 1.00 10.00 C ATOM 1048 OH TYR A 87 13.395 13.897 0.291 1.00 10.00 O ATOM 0 H TYR A 87 9.052 10.701 -2.327 1.00 10.00 H new ATOM 0 HA TYR A 87 9.366 12.502 -4.660 1.00 10.00 H new ATOM 0 HB2 TYR A 87 11.112 10.132 -3.959 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.483 11.487 -5.005 1.00 10.00 H new ATOM 0 HD1 TYR A 87 11.481 13.862 -3.799 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.949 10.149 -1.764 1.00 10.00 H new ATOM 0 HE1 TYR A 87 12.517 15.033 -1.906 1.00 10.00 H new ATOM 0 HE2 TYR A 87 12.995 11.314 0.126 1.00 10.00 H new ATOM 0 HH TYR A 87 13.636 13.246 0.983 1.00 10.00 H new ATOM 1058 N THR A 88 8.915 10.697 -6.407 1.00 10.00 N ATOM 1059 CA THR A 88 8.320 9.794 -7.378 1.00 10.00 C ATOM 1060 C THR A 88 9.194 8.555 -7.571 1.00 10.00 C ATOM 1061 O THR A 88 10.266 8.448 -6.977 1.00 10.00 O ATOM 1062 CB THR A 88 8.125 10.507 -8.729 1.00 10.00 C ATOM 1063 OG1 THR A 88 9.148 11.497 -8.905 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.756 11.165 -8.808 1.00 10.00 C ATOM 0 H THR A 88 9.416 11.484 -6.820 1.00 10.00 H new ATOM 0 HA THR A 88 7.348 9.483 -6.996 1.00 10.00 H new ATOM 0 HB THR A 88 8.193 9.762 -9.522 1.00 10.00 H new ATOM 0 HG1 THR A 88 9.022 11.948 -9.766 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.646 11.661 -9.772 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.981 10.406 -8.699 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.659 11.900 -8.009 1.00 10.00 H new ATOM 1072 N LEU A 89 8.735 7.615 -8.390 1.00 10.00 N ATOM 1073 CA LEU A 89 9.496 6.399 -8.643 1.00 10.00 C ATOM 1074 C LEU A 89 10.670 6.701 -9.570 1.00 10.00 C ATOM 1075 O LEU A 89 10.516 7.396 -10.577 1.00 10.00 O ATOM 1076 CB LEU A 89 8.612 5.308 -9.261 1.00 10.00 C ATOM 1077 CG LEU A 89 7.425 4.822 -8.412 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.727 4.891 -6.921 1.00 10.00 C ATOM 1079 CD2 LEU A 89 6.177 5.618 -8.747 1.00 10.00 C ATOM 0 H LEU A 89 7.846 7.671 -8.887 1.00 10.00 H new ATOM 0 HA LEU A 89 9.872 6.032 -7.688 1.00 10.00 H new ATOM 0 HB2 LEU A 89 8.223 5.680 -10.209 1.00 10.00 H new ATOM 0 HB3 LEU A 89 9.242 4.448 -9.490 1.00 10.00 H new ATOM 0 HG LEU A 89 7.250 3.774 -8.656 1.00 10.00 H new ATOM 0 HD11 LEU A 89 6.863 4.539 -6.358 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.588 4.262 -6.695 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.947 5.921 -6.642 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.345 5.263 -8.139 1.00 10.00 H new ATOM 0 HD22 LEU A 89 6.353 6.674 -8.541 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.936 5.489 -9.802 1.00 10.00 H new ATOM 1091 N ILE A 90 11.839 6.181 -9.222 1.00 10.00 N ATOM 1092 CA ILE A 90 13.050 6.398 -10.010 1.00 10.00 C ATOM 1093 C ILE A 90 12.972 5.752 -11.393 1.00 10.00 C ATOM 1094 O ILE A 90 13.605 6.225 -12.337 1.00 10.00 O ATOM 1095 CB ILE A 90 14.298 5.863 -9.287 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.957 4.626 -8.454 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.910 6.949 -8.419 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.164 3.961 -7.838 1.00 10.00 C ATOM 0 H ILE A 90 11.977 5.602 -8.394 1.00 10.00 H new ATOM 0 HA ILE A 90 13.131 7.478 -10.133 1.00 10.00 H new ATOM 0 HB ILE A 90 15.031 5.568 -10.037 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.266 4.911 -7.661 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.438 3.905 -9.085 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.792 6.557 -7.913 1.00 10.00 H new ATOM 0 HG22 ILE A 90 15.196 7.796 -9.043 1.00 10.00 H new ATOM 0 HG23 ILE A 90 14.181 7.275 -7.677 1.00 10.00 H new ATOM 0 HD11 ILE A 90 14.846 3.092 -7.262 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.847 3.644 -8.626 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.672 4.666 -7.180 1.00 10.00 H new ATOM 1110 N GLY A 91 12.213 4.669 -11.512 1.00 10.00 N ATOM 1111 CA GLY A 91 12.086 3.999 -12.798 1.00 10.00 C ATOM 1112 C GLY A 91 12.133 2.483 -12.702 1.00 10.00 C ATOM 1113 O GLY A 91 11.160 1.816 -13.047 1.00 10.00 O ATOM 0 H GLY A 91 11.686 4.243 -10.749 1.00 10.00 H new ATOM 0 HA2 GLY A 91 11.145 4.296 -13.262 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.887 4.338 -13.455 1.00 10.00 H new ATOM 1117 N PRO A 92 13.255 1.896 -12.240 1.00 10.00 N ATOM 1118 CA PRO A 92 13.392 0.436 -12.119 1.00 10.00 C ATOM 1119 C PRO A 92 12.559 -0.154 -10.979 1.00 10.00 C ATOM 1120 O PRO A 92 12.668 -1.338 -10.673 1.00 10.00 O ATOM 1121 CB PRO A 92 14.886 0.244 -11.840 1.00 10.00 C ATOM 1122 CG PRO A 92 15.313 1.512 -11.190 1.00 10.00 C ATOM 1123 CD PRO A 92 14.490 2.596 -11.829 1.00 10.00 C ATOM 0 HA PRO A 92 13.034 -0.074 -13.014 1.00 10.00 H new ATOM 0 HB2 PRO A 92 15.061 -0.613 -11.190 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.441 0.064 -12.761 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.145 1.476 -10.114 1.00 10.00 H new ATOM 0 HG3 PRO A 92 16.378 1.689 -11.340 1.00 10.00 H new ATOM 0 HD2 PRO A 92 14.279 3.405 -11.129 1.00 10.00 H new ATOM 0 HD3 PRO A 92 15.003 3.039 -12.683 1.00 10.00 H new ATOM 1131 N VAL A 93 11.716 0.670 -10.370 1.00 10.00 N ATOM 1132 CA VAL A 93 10.877 0.230 -9.261 1.00 10.00 C ATOM 1133 C VAL A 93 9.804 -0.737 -9.749 1.00 10.00 C ATOM 1134 O VAL A 93 9.574 -1.784 -9.145 1.00 10.00 O ATOM 1135 CB VAL A 93 10.194 1.417 -8.553 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.711 1.011 -7.171 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.133 2.607 -8.462 1.00 10.00 C ATOM 0 H VAL A 93 11.594 1.650 -10.626 1.00 10.00 H new ATOM 0 HA VAL A 93 11.532 -0.271 -8.549 1.00 10.00 H new ATOM 0 HB VAL A 93 9.329 1.712 -9.147 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.232 1.863 -6.688 1.00 10.00 H new ATOM 0 HG12 VAL A 93 8.994 0.195 -7.261 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.560 0.684 -6.571 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.628 3.431 -7.959 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.022 2.327 -7.897 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.424 2.918 -9.465 1.00 10.00 H new ATOM 1147 N SER A 94 9.157 -0.384 -10.852 1.00 10.00 N ATOM 1148 CA SER A 94 8.110 -1.220 -11.427 1.00 10.00 C ATOM 1149 C SER A 94 8.669 -2.551 -11.939 1.00 10.00 C ATOM 1150 O SER A 94 7.918 -3.490 -12.206 1.00 10.00 O ATOM 1151 CB SER A 94 7.413 -0.459 -12.553 1.00 10.00 C ATOM 1152 OG SER A 94 8.195 0.653 -12.968 1.00 10.00 O ATOM 0 H SER A 94 9.339 0.477 -11.368 1.00 10.00 H new ATOM 0 HA SER A 94 7.387 -1.454 -10.646 1.00 10.00 H new ATOM 0 HB2 SER A 94 7.243 -1.126 -13.398 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.435 -0.116 -12.216 1.00 10.00 H new ATOM 0 HG SER A 94 7.733 1.127 -13.691 1.00 10.00 H new ATOM 1158 N ALA A 95 9.989 -2.631 -12.052 1.00 10.00 N ATOM 1159 CA ALA A 95 10.649 -3.843 -12.521 1.00 10.00 C ATOM 1160 C ALA A 95 10.886 -4.815 -11.367 1.00 10.00 C ATOM 1161 O ALA A 95 11.475 -5.881 -11.546 1.00 10.00 O ATOM 1162 CB ALA A 95 11.963 -3.494 -13.202 1.00 10.00 C ATOM 0 H ALA A 95 10.626 -1.867 -11.824 1.00 10.00 H new ATOM 0 HA ALA A 95 9.997 -4.332 -13.245 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.447 -4.407 -13.548 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.770 -2.841 -14.053 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.616 -2.984 -12.494 1.00 10.00 H new ATOM 1168 N ILE A 96 10.436 -4.429 -10.182 1.00 10.00 N ATOM 1169 CA ILE A 96 10.583 -5.251 -8.993 1.00 10.00 C ATOM 1170 C ILE A 96 9.235 -5.839 -8.590 1.00 10.00 C ATOM 1171 O ILE A 96 8.363 -5.124 -8.104 1.00 10.00 O ATOM 1172 CB ILE A 96 11.154 -4.420 -7.827 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.516 -3.843 -8.210 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.259 -5.259 -6.565 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.921 -2.644 -7.382 1.00 10.00 C ATOM 0 H ILE A 96 9.961 -3.541 -10.019 1.00 10.00 H new ATOM 0 HA ILE A 96 11.276 -6.061 -9.221 1.00 10.00 H new ATOM 0 HB ILE A 96 10.472 -3.595 -7.623 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.273 -4.620 -8.104 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.498 -3.558 -9.262 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.664 -4.651 -5.756 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.270 -5.621 -6.286 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.918 -6.108 -6.746 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.898 -2.288 -7.710 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.185 -1.850 -7.507 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.973 -2.928 -6.331 1.00 10.00 H new ATOM 1187 N SER A 97 9.057 -7.135 -8.810 1.00 10.00 N ATOM 1188 CA SER A 97 7.805 -7.792 -8.464 1.00 10.00 C ATOM 1189 C SER A 97 8.055 -9.061 -7.658 1.00 10.00 C ATOM 1190 O SER A 97 8.360 -10.117 -8.214 1.00 10.00 O ATOM 1191 CB SER A 97 7.009 -8.116 -9.730 1.00 10.00 C ATOM 1192 OG SER A 97 7.872 -8.320 -10.839 1.00 10.00 O ATOM 0 H SER A 97 9.759 -7.748 -9.224 1.00 10.00 H new ATOM 0 HA SER A 97 7.224 -7.108 -7.846 1.00 10.00 H new ATOM 0 HB2 SER A 97 6.406 -9.009 -9.565 1.00 10.00 H new ATOM 0 HB3 SER A 97 6.319 -7.301 -9.948 1.00 10.00 H new ATOM 0 HG SER A 97 7.339 -8.527 -11.635 1.00 10.00 H new ATOM 1198 N THR A 98 7.944 -8.948 -6.345 1.00 10.00 N ATOM 1199 CA THR A 98 8.160 -10.086 -5.465 1.00 10.00 C ATOM 1200 C THR A 98 7.014 -10.221 -4.466 1.00 10.00 C ATOM 1201 O THR A 98 6.323 -9.249 -4.169 1.00 10.00 O ATOM 1202 CB THR A 98 9.498 -9.961 -4.704 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.798 -11.186 -4.022 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.445 -8.817 -3.703 1.00 10.00 C ATOM 0 H THR A 98 7.706 -8.080 -5.864 1.00 10.00 H new ATOM 0 HA THR A 98 8.198 -10.978 -6.090 1.00 10.00 H new ATOM 0 HB THR A 98 10.283 -9.753 -5.431 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.649 -11.095 -3.545 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.398 -8.748 -3.179 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.251 -7.882 -4.229 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.647 -9.000 -2.983 1.00 10.00 H new ATOM 1212 N THR A 99 6.808 -11.425 -3.954 1.00 10.00 N ATOM 1213 CA THR A 99 5.752 -11.664 -2.983 1.00 10.00 C ATOM 1214 C THR A 99 6.266 -11.461 -1.563 1.00 10.00 C ATOM 1215 O THR A 99 5.505 -11.509 -0.595 1.00 10.00 O ATOM 1216 CB THR A 99 5.191 -13.086 -3.123 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.225 -13.973 -3.572 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.028 -13.115 -4.103 1.00 10.00 C ATOM 0 H THR A 99 7.357 -12.250 -4.194 1.00 10.00 H new ATOM 0 HA THR A 99 4.956 -10.947 -3.180 1.00 10.00 H new ATOM 0 HB THR A 99 4.829 -13.411 -2.148 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.863 -14.880 -3.658 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.647 -14.133 -4.186 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.235 -12.459 -3.746 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.368 -12.774 -5.081 1.00 10.00 H new ATOM 1226 N SER A 100 7.569 -11.241 -1.448 1.00 10.00 N ATOM 1227 CA SER A 100 8.201 -11.030 -0.158 1.00 10.00 C ATOM 1228 C SER A 100 8.393 -9.540 0.099 1.00 10.00 C ATOM 1229 O SER A 100 9.127 -8.868 -0.626 1.00 10.00 O ATOM 1230 CB SER A 100 9.552 -11.755 -0.114 1.00 10.00 C ATOM 1231 OG SER A 100 10.305 -11.384 1.030 1.00 10.00 O ATOM 0 H SER A 100 8.210 -11.204 -2.240 1.00 10.00 H new ATOM 0 HA SER A 100 7.556 -11.436 0.622 1.00 10.00 H new ATOM 0 HB2 SER A 100 9.388 -12.833 -0.109 1.00 10.00 H new ATOM 0 HB3 SER A 100 10.120 -11.523 -1.015 1.00 10.00 H new ATOM 0 HG SER A 100 11.159 -11.864 1.029 1.00 10.00 H new ATOM 1237 N VAL A 101 7.729 -9.023 1.126 1.00 10.00 N ATOM 1238 CA VAL A 101 7.841 -7.614 1.468 1.00 10.00 C ATOM 1239 C VAL A 101 9.263 -7.296 1.915 1.00 10.00 C ATOM 1240 O VAL A 101 9.773 -6.196 1.688 1.00 10.00 O ATOM 1241 CB VAL A 101 6.826 -7.203 2.565 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.143 -7.859 3.903 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.764 -5.689 2.702 1.00 10.00 C ATOM 0 H VAL A 101 7.109 -9.558 1.734 1.00 10.00 H new ATOM 0 HA VAL A 101 7.606 -7.036 0.574 1.00 10.00 H new ATOM 0 HB VAL A 101 5.844 -7.560 2.254 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.409 -7.545 4.645 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.109 -8.943 3.794 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.139 -7.559 4.229 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.046 -5.423 3.477 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.748 -5.308 2.973 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.454 -5.250 1.754 1.00 10.00 H new ATOM 1253 N GLN A 102 9.906 -8.281 2.531 1.00 10.00 N ATOM 1254 CA GLN A 102 11.272 -8.126 2.993 1.00 10.00 C ATOM 1255 C GLN A 102 12.209 -8.012 1.801 1.00 10.00 C ATOM 1256 O GLN A 102 13.102 -7.166 1.781 1.00 10.00 O ATOM 1257 CB GLN A 102 11.673 -9.303 3.886 1.00 10.00 C ATOM 1258 CG GLN A 102 11.081 -9.224 5.287 1.00 10.00 C ATOM 1259 CD GLN A 102 11.527 -10.369 6.178 1.00 10.00 C ATOM 1260 OE1 GLN A 102 10.872 -11.410 6.248 1.00 10.00 O ATOM 1261 NE2 GLN A 102 12.643 -10.188 6.867 1.00 10.00 N ATOM 0 H GLN A 102 9.498 -9.197 2.721 1.00 10.00 H new ATOM 0 HA GLN A 102 11.345 -7.213 3.585 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.353 -10.233 3.416 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.760 -9.341 3.960 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.370 -8.278 5.746 1.00 10.00 H new ATOM 0 HG3 GLN A 102 9.993 -9.226 5.218 1.00 10.00 H new ATOM 0 HE21 GLN A 102 13.158 -9.312 6.783 1.00 10.00 H new ATOM 0 HE22 GLN A 102 12.988 -10.925 7.482 1.00 10.00 H new ATOM 1270 N GLN A 103 11.992 -8.856 0.800 1.00 10.00 N ATOM 1271 CA GLN A 103 12.810 -8.831 -0.405 1.00 10.00 C ATOM 1272 C GLN A 103 12.561 -7.547 -1.188 1.00 10.00 C ATOM 1273 O GLN A 103 13.496 -6.936 -1.700 1.00 10.00 O ATOM 1274 CB GLN A 103 12.523 -10.044 -1.288 1.00 10.00 C ATOM 1275 CG GLN A 103 13.341 -10.067 -2.571 1.00 10.00 C ATOM 1276 CD GLN A 103 14.812 -10.359 -2.335 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.353 -10.097 -1.261 1.00 10.00 O ATOM 1278 NE2 GLN A 103 15.474 -10.889 -3.345 1.00 10.00 N ATOM 0 H GLN A 103 11.258 -9.564 0.799 1.00 10.00 H new ATOM 0 HA GLN A 103 13.856 -8.867 -0.102 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.726 -10.953 -0.721 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.463 -10.056 -1.542 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.930 -10.821 -3.243 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.244 -9.105 -3.074 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.992 -11.093 -4.220 1.00 10.00 H new ATOM 0 HE22 GLN A 103 16.468 -11.095 -3.251 1.00 10.00 H new ATOM 1287 N ALA A 104 11.298 -7.145 -1.267 1.00 10.00 N ATOM 1288 CA ALA A 104 10.921 -5.924 -1.970 1.00 10.00 C ATOM 1289 C ALA A 104 11.701 -4.737 -1.427 1.00 10.00 C ATOM 1290 O ALA A 104 12.299 -3.972 -2.184 1.00 10.00 O ATOM 1291 CB ALA A 104 9.425 -5.676 -1.840 1.00 10.00 C ATOM 0 H ALA A 104 10.515 -7.649 -0.851 1.00 10.00 H new ATOM 0 HA ALA A 104 11.163 -6.046 -3.026 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.160 -4.761 -2.370 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.878 -6.515 -2.270 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.163 -5.574 -0.787 1.00 10.00 H new ATOM 1297 N ALA A 105 11.712 -4.606 -0.105 1.00 10.00 N ATOM 1298 CA ALA A 105 12.433 -3.525 0.548 1.00 10.00 C ATOM 1299 C ALA A 105 13.933 -3.669 0.317 1.00 10.00 C ATOM 1300 O ALA A 105 14.637 -2.679 0.123 1.00 10.00 O ATOM 1301 CB ALA A 105 12.125 -3.504 2.037 1.00 10.00 C ATOM 0 H ALA A 105 11.228 -5.237 0.534 1.00 10.00 H new ATOM 0 HA ALA A 105 12.106 -2.580 0.114 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.673 -2.689 2.510 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.055 -3.357 2.185 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.426 -4.451 2.484 1.00 10.00 H new ATOM 1307 N THR A 106 14.403 -4.911 0.314 1.00 10.00 N ATOM 1308 CA THR A 106 15.814 -5.211 0.106 1.00 10.00 C ATOM 1309 C THR A 106 16.264 -4.770 -1.288 1.00 10.00 C ATOM 1310 O THR A 106 17.326 -4.168 -1.453 1.00 10.00 O ATOM 1311 CB THR A 106 16.075 -6.722 0.294 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.733 -7.109 1.632 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.528 -7.078 0.015 1.00 10.00 C ATOM 0 H THR A 106 13.819 -5.735 0.455 1.00 10.00 H new ATOM 0 HA THR A 106 16.392 -4.657 0.846 1.00 10.00 H new ATOM 0 HB THR A 106 15.453 -7.261 -0.420 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.758 -7.124 1.729 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.674 -8.149 0.157 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.777 -6.811 -1.012 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.175 -6.529 0.700 1.00 10.00 H new ATOM 1321 N GLU A 107 15.441 -5.059 -2.284 1.00 10.00 N ATOM 1322 CA GLU A 107 15.748 -4.687 -3.656 1.00 10.00 C ATOM 1323 C GLU A 107 15.634 -3.177 -3.837 1.00 10.00 C ATOM 1324 O GLU A 107 16.468 -2.554 -4.499 1.00 10.00 O ATOM 1325 CB GLU A 107 14.810 -5.407 -4.621 1.00 10.00 C ATOM 1326 CG GLU A 107 15.034 -6.908 -4.670 1.00 10.00 C ATOM 1327 CD GLU A 107 14.500 -7.535 -5.941 1.00 10.00 C ATOM 1328 OE1 GLU A 107 15.069 -7.275 -7.021 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.511 -8.292 -5.872 1.00 10.00 O ATOM 0 H GLU A 107 14.555 -5.550 -2.168 1.00 10.00 H new ATOM 0 HA GLU A 107 16.773 -4.986 -3.875 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.779 -5.210 -4.329 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.942 -4.994 -5.621 1.00 10.00 H new ATOM 0 HG2 GLU A 107 16.101 -7.115 -4.587 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.552 -7.372 -3.810 1.00 10.00 H new ATOM 1336 N LEU A 108 14.603 -2.593 -3.236 1.00 10.00 N ATOM 1337 CA LEU A 108 14.375 -1.158 -3.319 1.00 10.00 C ATOM 1338 C LEU A 108 15.535 -0.386 -2.700 1.00 10.00 C ATOM 1339 O LEU A 108 16.108 0.483 -3.338 1.00 10.00 O ATOM 1340 CB LEU A 108 13.076 -0.779 -2.607 1.00 10.00 C ATOM 1341 CG LEU A 108 11.918 -0.384 -3.521 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.362 -1.595 -4.253 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.830 0.298 -2.714 1.00 10.00 C ATOM 0 H LEU A 108 13.909 -3.096 -2.683 1.00 10.00 H new ATOM 0 HA LEU A 108 14.298 -0.895 -4.374 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.760 -1.622 -1.992 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.281 0.050 -1.930 1.00 10.00 H new ATOM 0 HG LEU A 108 12.293 0.314 -4.270 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.539 -1.285 -4.897 1.00 10.00 H new ATOM 0 HD12 LEU A 108 12.147 -2.045 -4.860 1.00 10.00 H new ATOM 0 HD13 LEU A 108 11.001 -2.324 -3.528 1.00 10.00 H new ATOM 0 HD21 LEU A 108 10.008 0.576 -3.374 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.464 -0.384 -1.947 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.235 1.193 -2.241 1.00 10.00 H new ATOM 1355 N SER A 109 15.912 -0.740 -1.474 1.00 10.00 N ATOM 1356 CA SER A 109 16.993 -0.046 -0.774 1.00 10.00 C ATOM 1357 C SER A 109 18.307 -0.094 -1.551 1.00 10.00 C ATOM 1358 O SER A 109 19.151 0.788 -1.398 1.00 10.00 O ATOM 1359 CB SER A 109 17.187 -0.626 0.631 1.00 10.00 C ATOM 1360 OG SER A 109 17.116 -2.040 0.620 1.00 10.00 O ATOM 0 H SER A 109 15.487 -1.501 -0.945 1.00 10.00 H new ATOM 0 HA SER A 109 16.700 1.000 -0.691 1.00 10.00 H new ATOM 0 HB2 SER A 109 18.153 -0.312 1.026 1.00 10.00 H new ATOM 0 HB3 SER A 109 16.424 -0.227 1.300 1.00 10.00 H new ATOM 0 HG SER A 109 16.200 -2.323 0.821 1.00 10.00 H new ATOM 1366 N ALA A 110 18.473 -1.105 -2.392 1.00 10.00 N ATOM 1367 CA ALA A 110 19.688 -1.240 -3.180 1.00 10.00 C ATOM 1368 C ALA A 110 19.753 -0.181 -4.278 1.00 10.00 C ATOM 1369 O ALA A 110 20.795 0.435 -4.505 1.00 10.00 O ATOM 1370 CB ALA A 110 19.774 -2.629 -3.788 1.00 10.00 C ATOM 0 H ALA A 110 17.784 -1.841 -2.545 1.00 10.00 H new ATOM 0 HA ALA A 110 20.538 -1.092 -2.513 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.689 -2.713 -4.374 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.783 -3.374 -2.993 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.912 -2.797 -4.434 1.00 10.00 H new ATOM 1376 N VAL A 111 18.631 0.032 -4.951 1.00 10.00 N ATOM 1377 CA VAL A 111 18.560 1.005 -6.034 1.00 10.00 C ATOM 1378 C VAL A 111 18.223 2.405 -5.504 1.00 10.00 C ATOM 1379 O VAL A 111 18.562 3.418 -6.117 1.00 10.00 O ATOM 1380 CB VAL A 111 17.532 0.561 -7.110 1.00 10.00 C ATOM 1381 CG1 VAL A 111 16.111 0.593 -6.581 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.656 1.408 -8.361 1.00 10.00 C ATOM 0 H VAL A 111 17.755 -0.457 -4.766 1.00 10.00 H new ATOM 0 HA VAL A 111 19.544 1.053 -6.501 1.00 10.00 H new ATOM 0 HB VAL A 111 17.763 -0.473 -7.368 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.424 0.275 -7.365 1.00 10.00 H new ATOM 0 HG12 VAL A 111 16.025 -0.081 -5.728 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.862 1.607 -6.269 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.925 1.077 -9.099 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.472 2.453 -8.112 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.660 1.304 -8.773 1.00 10.00 H new ATOM 1392 N TYR A 112 17.577 2.449 -4.346 1.00 10.00 N ATOM 1393 CA TYR A 112 17.180 3.704 -3.716 1.00 10.00 C ATOM 1394 C TYR A 112 18.343 4.363 -2.986 1.00 10.00 C ATOM 1395 O TYR A 112 18.332 5.575 -2.761 1.00 10.00 O ATOM 1396 CB TYR A 112 16.017 3.473 -2.751 1.00 10.00 C ATOM 1397 CG TYR A 112 14.667 3.505 -3.424 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.360 2.615 -4.440 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.706 4.429 -3.051 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.136 2.639 -5.071 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.478 4.465 -3.677 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.195 3.569 -4.687 1.00 10.00 C ATOM 1403 OH TYR A 112 10.972 3.613 -5.314 1.00 10.00 O ATOM 0 H TYR A 112 17.313 1.618 -3.817 1.00 10.00 H new ATOM 0 HA TYR A 112 16.859 4.380 -4.509 1.00 10.00 H new ATOM 0 HB2 TYR A 112 16.148 2.509 -2.260 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.045 4.234 -1.971 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.097 1.886 -4.744 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.921 5.131 -2.259 1.00 10.00 H new ATOM 0 HE1 TYR A 112 12.916 1.935 -5.860 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.739 5.193 -3.377 1.00 10.00 H new ATOM 0 HH TYR A 112 10.777 4.534 -5.587 1.00 10.00 H new ATOM 1413 N ALA A 113 19.327 3.558 -2.590 1.00 10.00 N ATOM 1414 CA ALA A 113 20.504 4.057 -1.876 1.00 10.00 C ATOM 1415 C ALA A 113 21.149 5.232 -2.606 1.00 10.00 C ATOM 1416 O ALA A 113 21.622 6.174 -1.976 1.00 10.00 O ATOM 1417 CB ALA A 113 21.518 2.941 -1.679 1.00 10.00 C ATOM 0 H ALA A 113 19.333 2.551 -2.752 1.00 10.00 H new ATOM 0 HA ALA A 113 20.171 4.412 -0.901 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.387 3.329 -1.147 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.066 2.137 -1.099 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.829 2.557 -2.650 1.00 10.00 H new ATOM 1423 N ALA A 114 21.141 5.180 -3.935 1.00 10.00 N ATOM 1424 CA ALA A 114 21.721 6.239 -4.757 1.00 10.00 C ATOM 1425 C ALA A 114 20.984 7.567 -4.570 1.00 10.00 C ATOM 1426 O ALA A 114 21.561 8.643 -4.745 1.00 10.00 O ATOM 1427 CB ALA A 114 21.700 5.831 -6.221 1.00 10.00 C ATOM 0 H ALA A 114 20.737 4.411 -4.469 1.00 10.00 H new ATOM 0 HA ALA A 114 22.752 6.384 -4.435 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.134 6.626 -6.827 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.280 4.917 -6.352 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.671 5.656 -6.535 1.00 10.00 H new ATOM 1433 N GLN A 115 19.710 7.484 -4.210 1.00 10.00 N ATOM 1434 CA GLN A 115 18.890 8.671 -4.003 1.00 10.00 C ATOM 1435 C GLN A 115 18.934 9.108 -2.547 1.00 10.00 C ATOM 1436 O GLN A 115 18.505 10.210 -2.202 1.00 10.00 O ATOM 1437 CB GLN A 115 17.443 8.397 -4.416 1.00 10.00 C ATOM 1438 CG GLN A 115 17.298 7.936 -5.855 1.00 10.00 C ATOM 1439 CD GLN A 115 17.800 8.962 -6.851 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.741 10.168 -6.609 1.00 10.00 O ATOM 1441 NE2 GLN A 115 18.303 8.491 -7.980 1.00 10.00 N ATOM 0 H GLN A 115 19.220 6.603 -4.055 1.00 10.00 H new ATOM 0 HA GLN A 115 19.292 9.473 -4.622 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.023 7.638 -3.756 1.00 10.00 H new ATOM 0 HB3 GLN A 115 16.855 9.304 -4.273 1.00 10.00 H new ATOM 0 HG2 GLN A 115 17.847 7.005 -5.991 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.249 7.720 -6.059 1.00 10.00 H new ATOM 0 HE21 GLN A 115 18.334 7.485 -8.144 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.659 9.134 -8.687 1.00 10.00 H new ATOM 1450 N GLY A 116 19.468 8.246 -1.697 1.00 10.00 N ATOM 1451 CA GLY A 116 19.551 8.557 -0.287 1.00 10.00 C ATOM 1452 C GLY A 116 18.365 8.026 0.483 1.00 10.00 C ATOM 1453 O GLY A 116 18.000 8.569 1.523 1.00 10.00 O ATOM 0 H GLY A 116 19.846 7.335 -1.959 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.468 8.134 0.124 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.612 9.638 -0.158 1.00 10.00 H new ATOM 1457 N VAL A 117 17.770 6.956 -0.019 1.00 10.00 N ATOM 1458 CA VAL A 117 16.610 6.358 0.623 1.00 10.00 C ATOM 1459 C VAL A 117 16.848 4.882 0.920 1.00 10.00 C ATOM 1460 O VAL A 117 17.201 4.111 0.032 1.00 10.00 O ATOM 1461 CB VAL A 117 15.348 6.493 -0.260 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.137 5.879 0.425 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.081 7.949 -0.608 1.00 10.00 C ATOM 0 H VAL A 117 18.072 6.483 -0.871 1.00 10.00 H new ATOM 0 HA VAL A 117 16.453 6.895 1.558 1.00 10.00 H new ATOM 0 HB VAL A 117 15.530 5.948 -1.186 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.262 5.987 -0.217 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.322 4.821 0.611 1.00 10.00 H new ATOM 0 HG13 VAL A 117 13.957 6.388 1.372 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.188 8.017 -1.230 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.930 8.520 0.308 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.934 8.355 -1.152 1.00 10.00 H new ATOM 1473 N SER A 118 16.666 4.500 2.170 1.00 10.00 N ATOM 1474 CA SER A 118 16.837 3.117 2.575 1.00 10.00 C ATOM 1475 C SER A 118 15.554 2.593 3.215 1.00 10.00 C ATOM 1476 O SER A 118 15.137 3.064 4.273 1.00 10.00 O ATOM 1477 CB SER A 118 18.019 2.982 3.537 1.00 10.00 C ATOM 1478 OG SER A 118 19.220 2.701 2.833 1.00 10.00 O ATOM 0 H SER A 118 16.399 5.131 2.926 1.00 10.00 H new ATOM 0 HA SER A 118 17.051 2.517 1.690 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.135 3.904 4.107 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.819 2.186 4.254 1.00 10.00 H new ATOM 0 HG SER A 118 19.876 2.312 3.448 1.00 10.00 H new ATOM 1484 N VAL A 119 14.921 1.634 2.551 1.00 10.00 N ATOM 1485 CA VAL A 119 13.683 1.044 3.043 1.00 10.00 C ATOM 1486 C VAL A 119 13.934 -0.352 3.605 1.00 10.00 C ATOM 1487 O VAL A 119 14.763 -1.101 3.085 1.00 10.00 O ATOM 1488 CB VAL A 119 12.606 0.968 1.933 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.112 2.356 1.563 1.00 10.00 C ATOM 1490 CG2 VAL A 119 13.140 0.265 0.696 1.00 10.00 C ATOM 0 H VAL A 119 15.247 1.247 1.666 1.00 10.00 H new ATOM 0 HA VAL A 119 13.314 1.692 3.838 1.00 10.00 H new ATOM 0 HB VAL A 119 11.771 0.389 2.327 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.356 2.277 0.782 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.677 2.834 2.441 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.947 2.955 1.200 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.361 0.227 -0.066 1.00 10.00 H new ATOM 0 HG22 VAL A 119 14.000 0.812 0.309 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.443 -0.749 0.956 1.00 10.00 H new ATOM 1500 N SER A 120 13.243 -0.684 4.683 1.00 10.00 N ATOM 1501 CA SER A 120 13.380 -1.988 5.315 1.00 10.00 C ATOM 1502 C SER A 120 12.087 -2.358 6.034 1.00 10.00 C ATOM 1503 O SER A 120 11.218 -1.508 6.228 1.00 10.00 O ATOM 1504 CB SER A 120 14.551 -1.979 6.302 1.00 10.00 C ATOM 1505 OG SER A 120 15.760 -1.609 5.655 1.00 10.00 O ATOM 0 H SER A 120 12.576 -0.064 5.142 1.00 10.00 H new ATOM 0 HA SER A 120 13.580 -2.733 4.545 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.341 -1.283 7.114 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.662 -2.967 6.750 1.00 10.00 H new ATOM 0 HG SER A 120 16.493 -1.609 6.306 1.00 10.00 H new ATOM 1511 N VAL A 121 11.956 -3.623 6.416 1.00 10.00 N ATOM 1512 CA VAL A 121 10.765 -4.091 7.110 1.00 10.00 C ATOM 1513 C VAL A 121 11.132 -4.592 8.500 1.00 10.00 C ATOM 1514 O VAL A 121 12.049 -5.401 8.654 1.00 10.00 O ATOM 1515 CB VAL A 121 10.063 -5.232 6.345 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.640 -5.429 6.846 1.00 10.00 C ATOM 1517 CG2 VAL A 121 10.090 -4.995 4.841 1.00 10.00 C ATOM 0 H VAL A 121 12.661 -4.342 6.256 1.00 10.00 H new ATOM 0 HA VAL A 121 10.081 -3.245 7.177 1.00 10.00 H new ATOM 0 HB VAL A 121 10.617 -6.150 6.540 1.00 10.00 H new ATOM 0 HG11 VAL A 121 8.167 -6.239 6.290 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.659 -5.679 7.907 1.00 10.00 H new ATOM 0 HG13 VAL A 121 8.072 -4.510 6.700 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.587 -5.818 4.334 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.579 -4.060 4.611 1.00 10.00 H new ATOM 0 HG23 VAL A 121 11.124 -4.937 4.500 1.00 10.00 H new ATOM 1527 N SER A 122 10.437 -4.101 9.510 1.00 10.00 N ATOM 1528 CA SER A 122 10.699 -4.509 10.879 1.00 10.00 C ATOM 1529 C SER A 122 9.413 -4.497 11.702 1.00 10.00 C ATOM 1530 O SER A 122 8.748 -3.467 11.800 1.00 10.00 O ATOM 1531 CB SER A 122 11.735 -3.575 11.506 1.00 10.00 C ATOM 1532 OG SER A 122 12.918 -3.518 10.719 1.00 10.00 O ATOM 0 H SER A 122 9.686 -3.418 9.408 1.00 10.00 H new ATOM 0 HA SER A 122 11.090 -5.527 10.872 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.313 -2.575 11.607 1.00 10.00 H new ATOM 0 HB3 SER A 122 11.979 -3.920 12.510 1.00 10.00 H new ATOM 0 HG SER A 122 13.563 -2.913 11.141 1.00 10.00 H new ATOM 1538 N ALA A 123 9.060 -5.660 12.253 1.00 10.00 N ATOM 1539 CA ALA A 123 7.863 -5.817 13.087 1.00 10.00 C ATOM 1540 C ALA A 123 6.590 -5.502 12.306 1.00 10.00 C ATOM 1541 O ALA A 123 5.684 -4.840 12.814 1.00 10.00 O ATOM 1542 CB ALA A 123 7.959 -4.950 14.340 1.00 10.00 C ATOM 0 H ALA A 123 9.595 -6.520 12.135 1.00 10.00 H new ATOM 0 HA ALA A 123 7.810 -6.861 13.394 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.061 -5.082 14.944 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.833 -5.245 14.921 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.052 -3.903 14.052 1.00 10.00 H new ATOM 1548 N ASN A 124 6.532 -5.997 11.070 1.00 10.00 N ATOM 1549 CA ASN A 124 5.383 -5.784 10.186 1.00 10.00 C ATOM 1550 C ASN A 124 5.200 -4.303 9.888 1.00 10.00 C ATOM 1551 O ASN A 124 4.095 -3.838 9.601 1.00 10.00 O ATOM 1552 CB ASN A 124 4.092 -6.362 10.780 1.00 10.00 C ATOM 1553 CG ASN A 124 4.025 -7.870 10.672 1.00 10.00 C ATOM 1554 OD1 ASN A 124 4.279 -8.585 11.644 1.00 10.00 O ATOM 1555 ND2 ASN A 124 3.696 -8.369 9.489 1.00 10.00 N ATOM 0 H ASN A 124 7.277 -6.555 10.653 1.00 10.00 H new ATOM 0 HA ASN A 124 5.591 -6.312 9.256 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.018 -6.073 11.828 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.234 -5.926 10.268 1.00 10.00 H new ATOM 0 HD21 ASN A 124 3.646 -9.379 9.358 1.00 10.00 H new ATOM 0 HD22 ASN A 124 3.493 -7.743 8.710 1.00 10.00 H new ATOM 1562 N LYS A 125 6.294 -3.568 9.959 1.00 10.00 N ATOM 1563 CA LYS A 125 6.279 -2.143 9.703 1.00 10.00 C ATOM 1564 C LYS A 125 7.378 -1.791 8.718 1.00 10.00 C ATOM 1565 O LYS A 125 8.515 -2.242 8.857 1.00 10.00 O ATOM 1566 CB LYS A 125 6.480 -1.370 11.008 1.00 10.00 C ATOM 1567 CG LYS A 125 6.304 0.135 10.880 1.00 10.00 C ATOM 1568 CD LYS A 125 6.539 0.819 12.218 1.00 10.00 C ATOM 1569 CE LYS A 125 6.071 2.262 12.203 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.279 2.922 13.518 1.00 10.00 N ATOM 0 H LYS A 125 7.213 -3.941 10.195 1.00 10.00 H new ATOM 0 HA LYS A 125 5.313 -1.868 9.279 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.775 -1.744 11.750 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.481 -1.576 11.387 1.00 10.00 H new ATOM 0 HG2 LYS A 125 7.001 0.526 10.139 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.299 0.360 10.523 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.013 0.274 13.002 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.601 0.784 12.463 1.00 10.00 H new ATOM 0 HE2 LYS A 125 6.610 2.811 11.431 1.00 10.00 H new ATOM 0 HE3 LYS A 125 5.014 2.299 11.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.947 3.906 13.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 5.744 2.413 14.250 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 7.291 2.909 13.757 1.00 10.00 H new ATOM 1584 N LEU A 126 7.039 -1.010 7.718 1.00 10.00 N ATOM 1585 CA LEU A 126 8.007 -0.591 6.724 1.00 10.00 C ATOM 1586 C LEU A 126 8.670 0.683 7.202 1.00 10.00 C ATOM 1587 O LEU A 126 7.995 1.671 7.465 1.00 10.00 O ATOM 1588 CB LEU A 126 7.321 -0.352 5.381 1.00 10.00 C ATOM 1589 CG LEU A 126 6.644 -1.578 4.762 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.937 -1.199 3.468 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.661 -2.680 4.503 1.00 10.00 C ATOM 0 H LEU A 126 6.097 -0.649 7.569 1.00 10.00 H new ATOM 0 HA LEU A 126 8.755 -1.372 6.590 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.572 0.430 5.509 1.00 10.00 H new ATOM 0 HB3 LEU A 126 8.061 0.028 4.677 1.00 10.00 H new ATOM 0 HG LEU A 126 5.903 -1.951 5.469 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.461 -2.082 3.041 1.00 10.00 H new ATOM 0 HD12 LEU A 126 5.180 -0.443 3.675 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.663 -0.800 2.760 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.159 -3.542 4.063 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.425 -2.316 3.817 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.128 -2.973 5.444 1.00 10.00 H new ATOM 1603 N LEU A 127 9.980 0.671 7.319 1.00 10.00 N ATOM 1604 CA LEU A 127 10.694 1.840 7.792 1.00 10.00 C ATOM 1605 C LEU A 127 11.550 2.439 6.698 1.00 10.00 C ATOM 1606 O LEU A 127 12.395 1.765 6.103 1.00 10.00 O ATOM 1607 CB LEU A 127 11.553 1.491 9.008 1.00 10.00 C ATOM 1608 CG LEU A 127 10.799 1.492 10.336 1.00 10.00 C ATOM 1609 CD1 LEU A 127 10.823 0.113 10.967 1.00 10.00 C ATOM 1610 CD2 LEU A 127 11.387 2.527 11.280 1.00 10.00 C ATOM 0 H LEU A 127 10.571 -0.130 7.095 1.00 10.00 H new ATOM 0 HA LEU A 127 9.955 2.584 8.088 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.994 0.506 8.855 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.377 2.202 9.072 1.00 10.00 H new ATOM 0 HG LEU A 127 9.760 1.757 10.142 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.280 0.136 11.912 1.00 10.00 H new ATOM 0 HD12 LEU A 127 10.351 -0.603 10.295 1.00 10.00 H new ATOM 0 HD13 LEU A 127 11.855 -0.186 11.149 1.00 10.00 H new ATOM 0 HD21 LEU A 127 10.838 2.514 12.221 1.00 10.00 H new ATOM 0 HD22 LEU A 127 12.435 2.294 11.468 1.00 10.00 H new ATOM 0 HD23 LEU A 127 11.310 3.516 10.829 1.00 10.00 H new ATOM 1622 N VAL A 128 11.305 3.703 6.413 1.00 10.00 N ATOM 1623 CA VAL A 128 12.058 4.412 5.403 1.00 10.00 C ATOM 1624 C VAL A 128 12.981 5.415 6.077 1.00 10.00 C ATOM 1625 O VAL A 128 12.512 6.328 6.756 1.00 10.00 O ATOM 1626 CB VAL A 128 11.121 5.168 4.436 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.867 5.585 3.183 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.904 4.327 4.087 1.00 10.00 C ATOM 0 H VAL A 128 10.585 4.261 6.871 1.00 10.00 H new ATOM 0 HA VAL A 128 12.634 3.683 4.833 1.00 10.00 H new ATOM 0 HB VAL A 128 10.771 6.069 4.940 1.00 10.00 H new ATOM 0 HG11 VAL A 128 11.188 6.116 2.515 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.696 6.239 3.454 1.00 10.00 H new ATOM 0 HG13 VAL A 128 12.254 4.700 2.678 1.00 10.00 H new ATOM 0 HG21 VAL A 128 9.261 4.883 3.405 1.00 10.00 H new ATOM 0 HG22 VAL A 128 10.226 3.402 3.609 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.351 4.092 4.997 1.00 10.00 H new ATOM 1638 N GLN A 129 14.279 5.259 5.875 1.00 10.00 N ATOM 1639 CA GLN A 129 15.252 6.155 6.479 1.00 10.00 C ATOM 1640 C GLN A 129 16.199 6.687 5.417 1.00 10.00 C ATOM 1641 O GLN A 129 16.618 5.948 4.525 1.00 10.00 O ATOM 1642 CB GLN A 129 16.055 5.430 7.565 1.00 10.00 C ATOM 1643 CG GLN A 129 15.204 4.581 8.498 1.00 10.00 C ATOM 1644 CD GLN A 129 14.624 5.367 9.657 1.00 10.00 C ATOM 1645 OE1 GLN A 129 14.389 6.573 9.558 1.00 10.00 O ATOM 1646 NE2 GLN A 129 14.382 4.688 10.770 1.00 10.00 N ATOM 0 H GLN A 129 14.683 4.521 5.298 1.00 10.00 H new ATOM 0 HA GLN A 129 14.714 6.986 6.936 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.800 4.793 7.088 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.598 6.168 8.155 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.390 4.131 7.929 1.00 10.00 H new ATOM 0 HG3 GLN A 129 15.810 3.763 8.889 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.590 3.690 10.814 1.00 10.00 H new ATOM 0 HE22 GLN A 129 13.988 5.163 11.582 1.00 10.00 H new ATOM 1655 N PRO A 130 16.533 7.977 5.477 1.00 10.00 N ATOM 1656 CA PRO A 130 17.445 8.583 4.517 1.00 10.00 C ATOM 1657 C PRO A 130 18.900 8.244 4.824 1.00 10.00 C ATOM 1658 O PRO A 130 19.333 8.287 5.976 1.00 10.00 O ATOM 1659 CB PRO A 130 17.192 10.077 4.685 1.00 10.00 C ATOM 1660 CG PRO A 130 16.743 10.232 6.098 1.00 10.00 C ATOM 1661 CD PRO A 130 16.045 8.947 6.472 1.00 10.00 C ATOM 0 HA PRO A 130 17.276 8.226 3.501 1.00 10.00 H new ATOM 0 HB2 PRO A 130 18.096 10.655 4.492 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.432 10.430 3.988 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.592 10.418 6.756 1.00 10.00 H new ATOM 0 HG3 PRO A 130 16.069 11.083 6.199 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.294 8.638 7.487 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.961 9.054 6.428 1.00 10.00 H new ATOM 1669 N VAL A 131 19.643 7.884 3.795 1.00 10.00 N ATOM 1670 CA VAL A 131 21.046 7.547 3.958 1.00 10.00 C ATOM 1671 C VAL A 131 21.925 8.636 3.359 1.00 10.00 C ATOM 1672 O VAL A 131 21.567 9.247 2.351 1.00 10.00 O ATOM 1673 CB VAL A 131 21.408 6.190 3.322 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.950 5.050 4.215 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.811 6.056 1.931 1.00 10.00 C ATOM 0 H VAL A 131 19.299 7.817 2.837 1.00 10.00 H new ATOM 0 HA VAL A 131 21.226 7.468 5.030 1.00 10.00 H new ATOM 0 HB VAL A 131 22.492 6.142 3.223 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.212 4.098 3.753 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.439 5.129 5.186 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.869 5.103 4.348 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.084 5.089 1.509 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.725 6.132 1.992 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.195 6.852 1.292 1.00 10.00 H new