USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=27 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 80 SER OG : rot 180:sc= -0.414 USER MOD Set 1.2: A 125 LYS NZ :NH3+ -123:sc= 0.161 (180deg=0) USER MOD Set 2.1: A 98 THR OG1 : rot 168:sc= 1.19 USER MOD Set 2.2: A 103 GLN : amide:sc= 1.09 K(o=2.3,f=-1.3) USER MOD Set 3.1: A 63 THR OG1 : rot 180:sc= 0.659 USER MOD Set 3.2: A 66 THR OG1 : rot 92:sc= 0.744 USER MOD Set 4.1: A 58 THR OG1 : rot -60:sc= 1.23 USER MOD Set 4.2: A 60 MET CE :methyl -160:sc= -0.135 (180deg=-0.76) USER MOD Set 5.1: A 55 TYR OH : rot 180:sc= 1 USER MOD Set 5.2: A 75 SER OG : rot 175:sc= 1.21 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= 0.581 K(o=0.58,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -134:sc= -1.01 (180deg=-2.35) USER MOD Single : A 76 ASN : amide:sc= -0.211 K(o=-0.21,f=-1) USER MOD Single : A 77 MET CE :methyl 140:sc= -0.76 (180deg=-2.09!) USER MOD Single : A 78 GLN : amide:sc= -0.323 K(o=-0.32,f=-0.89) USER MOD Single : A 81 TYR OH : rot -148:sc= -2.47! USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.066 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.22 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 97 SER OG : rot 180:sc= -0.109 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.3!) USER MOD Single : A 106 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 109 SER OG : rot -93:sc= 1.24 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 115 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.65) USER MOD Single : A 118 SER OG : rot -160:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.37 K(o=-1.4,f=-3!) USER MOD Single : A 129 GLN : amide:sc= -0.0431 K(o=-0.043,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.493 -11.441 -1.562 1.00 10.00 N ATOM 511 CA TYR A 53 0.391 -10.161 -2.249 1.00 10.00 C ATOM 512 C TYR A 53 1.710 -9.788 -2.914 1.00 10.00 C ATOM 513 O TYR A 53 2.762 -9.786 -2.276 1.00 10.00 O ATOM 514 CB TYR A 53 -0.025 -9.079 -1.251 1.00 10.00 C ATOM 515 CG TYR A 53 -0.199 -7.700 -1.847 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.971 -7.498 -2.983 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.404 -6.598 -1.261 1.00 10.00 C ATOM 518 CE1 TYR A 53 -1.135 -6.235 -3.517 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.243 -5.331 -1.788 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.526 -5.155 -2.916 1.00 10.00 C ATOM 521 OH TYR A 53 -0.692 -3.895 -3.442 1.00 10.00 O ATOM 0 HA TYR A 53 -0.364 -10.244 -3.031 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -0.963 -9.378 -0.782 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.724 -9.026 -0.461 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.451 -8.342 -3.457 1.00 10.00 H new ATOM 0 HD2 TYR A 53 1.010 -6.732 -0.377 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.738 -6.094 -4.402 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.718 -4.483 -1.317 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.198 -3.246 -2.899 1.00 10.00 H new ATOM 531 N THR A 54 1.642 -9.485 -4.200 1.00 10.00 N ATOM 532 CA THR A 54 2.817 -9.109 -4.959 1.00 10.00 C ATOM 533 C THR A 54 3.130 -7.631 -4.764 1.00 10.00 C ATOM 534 O THR A 54 2.369 -6.762 -5.190 1.00 10.00 O ATOM 535 CB THR A 54 2.625 -9.384 -6.459 1.00 10.00 C ATOM 536 OG1 THR A 54 1.904 -10.610 -6.644 1.00 10.00 O ATOM 537 CG2 THR A 54 3.968 -9.458 -7.175 1.00 10.00 C ATOM 0 H THR A 54 0.777 -9.493 -4.741 1.00 10.00 H new ATOM 0 HA THR A 54 3.647 -9.713 -4.591 1.00 10.00 H new ATOM 0 HB THR A 54 2.053 -8.561 -6.887 1.00 10.00 H new ATOM 0 HG1 THR A 54 1.784 -10.778 -7.602 1.00 10.00 H new ATOM 0 HG21 THR A 54 3.805 -9.653 -8.235 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.496 -8.511 -7.057 1.00 10.00 H new ATOM 0 HG23 THR A 54 4.565 -10.262 -6.746 1.00 10.00 H new ATOM 545 N TYR A 55 4.247 -7.362 -4.118 1.00 10.00 N ATOM 546 CA TYR A 55 4.681 -6.003 -3.866 1.00 10.00 C ATOM 547 C TYR A 55 5.410 -5.467 -5.089 1.00 10.00 C ATOM 548 O TYR A 55 6.521 -5.898 -5.400 1.00 10.00 O ATOM 549 CB TYR A 55 5.599 -5.950 -2.642 1.00 10.00 C ATOM 550 CG TYR A 55 4.938 -6.404 -1.359 1.00 10.00 C ATOM 551 CD1 TYR A 55 4.081 -5.563 -0.665 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.175 -7.672 -0.842 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.477 -5.969 0.509 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.574 -8.086 0.330 1.00 10.00 C ATOM 555 CZ TYR A 55 3.727 -7.234 1.001 1.00 10.00 C ATOM 556 OH TYR A 55 3.129 -7.643 2.169 1.00 10.00 O ATOM 0 H TYR A 55 4.877 -8.077 -3.754 1.00 10.00 H new ATOM 0 HA TYR A 55 3.806 -5.384 -3.666 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.473 -6.573 -2.829 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.957 -4.929 -2.513 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.882 -4.573 -1.049 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.839 -8.344 -1.365 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.814 -5.301 1.038 1.00 10.00 H new ATOM 0 HE2 TYR A 55 4.768 -9.075 0.719 1.00 10.00 H new ATOM 0 HH TYR A 55 3.409 -8.559 2.376 1.00 10.00 H new ATOM 566 N GLN A 56 4.759 -4.563 -5.797 1.00 10.00 N ATOM 567 CA GLN A 56 5.330 -3.954 -6.990 1.00 10.00 C ATOM 568 C GLN A 56 4.836 -2.524 -7.125 1.00 10.00 C ATOM 569 O GLN A 56 3.978 -2.083 -6.357 1.00 10.00 O ATOM 570 CB GLN A 56 4.975 -4.762 -8.244 1.00 10.00 C ATOM 571 CG GLN A 56 3.701 -5.577 -8.113 1.00 10.00 C ATOM 572 CD GLN A 56 2.453 -4.732 -8.231 1.00 10.00 C ATOM 573 OE1 GLN A 56 2.372 -3.840 -9.073 1.00 10.00 O ATOM 574 NE2 GLN A 56 1.480 -5.000 -7.375 1.00 10.00 N ATOM 0 H GLN A 56 3.823 -4.229 -5.565 1.00 10.00 H new ATOM 0 HA GLN A 56 6.415 -3.950 -6.890 1.00 10.00 H new ATOM 0 HB2 GLN A 56 4.872 -4.079 -9.087 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.801 -5.433 -8.477 1.00 10.00 H new ATOM 0 HG2 GLN A 56 3.687 -6.348 -8.883 1.00 10.00 H new ATOM 0 HG3 GLN A 56 3.699 -6.088 -7.150 1.00 10.00 H new ATOM 0 HE21 GLN A 56 1.593 -5.751 -6.693 1.00 10.00 H new ATOM 0 HE22 GLN A 56 0.617 -4.456 -7.397 1.00 10.00 H new ATOM 583 N ALA A 57 5.370 -1.808 -8.100 1.00 10.00 N ATOM 584 CA ALA A 57 4.988 -0.422 -8.320 1.00 10.00 C ATOM 585 C ALA A 57 4.002 -0.295 -9.468 1.00 10.00 C ATOM 586 O ALA A 57 4.251 -0.791 -10.567 1.00 10.00 O ATOM 587 CB ALA A 57 6.216 0.431 -8.593 1.00 10.00 C ATOM 0 H ALA A 57 6.069 -2.163 -8.752 1.00 10.00 H new ATOM 0 HA ALA A 57 4.501 -0.066 -7.413 1.00 10.00 H new ATOM 0 HB1 ALA A 57 5.912 1.465 -8.755 1.00 10.00 H new ATOM 0 HB2 ALA A 57 6.891 0.381 -7.739 1.00 10.00 H new ATOM 0 HB3 ALA A 57 6.727 0.059 -9.481 1.00 10.00 H new ATOM 593 N THR A 58 2.886 0.368 -9.215 1.00 10.00 N ATOM 594 CA THR A 58 1.877 0.566 -10.239 1.00 10.00 C ATOM 595 C THR A 58 1.844 2.030 -10.657 1.00 10.00 C ATOM 596 O THR A 58 2.218 2.909 -9.877 1.00 10.00 O ATOM 597 CB THR A 58 0.471 0.141 -9.753 1.00 10.00 C ATOM 598 OG1 THR A 58 0.020 1.017 -8.715 1.00 10.00 O ATOM 599 CG2 THR A 58 0.473 -1.290 -9.239 1.00 10.00 C ATOM 0 H THR A 58 2.657 0.778 -8.309 1.00 10.00 H new ATOM 0 HA THR A 58 2.145 -0.061 -11.089 1.00 10.00 H new ATOM 0 HB THR A 58 -0.206 0.203 -10.605 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.643 0.977 -7.959 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.529 -1.558 -8.905 1.00 10.00 H new ATOM 0 HG22 THR A 58 0.781 -1.963 -10.039 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.169 -1.376 -8.404 1.00 10.00 H new ATOM 607 N PRO A 59 1.407 2.323 -11.892 1.00 10.00 N ATOM 608 CA PRO A 59 1.319 3.702 -12.387 1.00 10.00 C ATOM 609 C PRO A 59 0.256 4.504 -11.635 1.00 10.00 C ATOM 610 O PRO A 59 0.159 5.723 -11.775 1.00 10.00 O ATOM 611 CB PRO A 59 0.934 3.532 -13.860 1.00 10.00 C ATOM 612 CG PRO A 59 0.278 2.197 -13.932 1.00 10.00 C ATOM 613 CD PRO A 59 0.979 1.345 -12.911 1.00 10.00 C ATOM 0 HA PRO A 59 2.249 4.254 -12.248 1.00 10.00 H new ATOM 0 HB2 PRO A 59 0.258 4.323 -14.186 1.00 10.00 H new ATOM 0 HB3 PRO A 59 1.811 3.577 -14.506 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -0.787 2.272 -13.715 1.00 10.00 H new ATOM 0 HG3 PRO A 59 0.370 1.768 -14.930 1.00 10.00 H new ATOM 0 HD2 PRO A 59 0.314 0.591 -12.491 1.00 10.00 H new ATOM 0 HD3 PRO A 59 1.828 0.816 -13.343 1.00 10.00 H new ATOM 621 N MET A 60 -0.532 3.804 -10.824 1.00 10.00 N ATOM 622 CA MET A 60 -1.585 4.429 -10.036 1.00 10.00 C ATOM 623 C MET A 60 -1.020 4.980 -8.732 1.00 10.00 C ATOM 624 O MET A 60 -1.624 5.844 -8.096 1.00 10.00 O ATOM 625 CB MET A 60 -2.697 3.418 -9.734 1.00 10.00 C ATOM 626 CG MET A 60 -3.352 2.834 -10.978 1.00 10.00 C ATOM 627 SD MET A 60 -4.569 1.559 -10.594 1.00 10.00 S ATOM 628 CE MET A 60 -3.528 0.311 -9.837 1.00 10.00 C ATOM 0 H MET A 60 -0.458 2.795 -10.696 1.00 10.00 H new ATOM 0 HA MET A 60 -2.002 5.253 -10.615 1.00 10.00 H new ATOM 0 HB2 MET A 60 -2.284 2.605 -9.137 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.461 3.903 -9.126 1.00 10.00 H new ATOM 0 HG2 MET A 60 -3.835 3.634 -11.538 1.00 10.00 H new ATOM 0 HG3 MET A 60 -2.582 2.412 -11.624 1.00 10.00 H new ATOM 0 HE1 MET A 60 -4.035 -0.653 -9.868 1.00 10.00 H new ATOM 0 HE2 MET A 60 -2.586 0.244 -10.382 1.00 10.00 H new ATOM 0 HE3 MET A 60 -3.329 0.583 -8.800 1.00 10.00 H new ATOM 638 N ASP A 61 0.143 4.473 -8.341 1.00 10.00 N ATOM 639 CA ASP A 61 0.795 4.909 -7.111 1.00 10.00 C ATOM 640 C ASP A 61 1.374 6.301 -7.291 1.00 10.00 C ATOM 641 O ASP A 61 1.048 7.226 -6.548 1.00 10.00 O ATOM 642 CB ASP A 61 1.904 3.936 -6.711 1.00 10.00 C ATOM 643 CG ASP A 61 1.364 2.590 -6.285 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.531 2.546 -5.360 1.00 10.00 O ATOM 645 OD2 ASP A 61 1.762 1.565 -6.885 1.00 10.00 O ATOM 0 H ASP A 61 0.655 3.758 -8.858 1.00 10.00 H new ATOM 0 HA ASP A 61 0.047 4.930 -6.318 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.586 3.802 -7.551 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.484 4.366 -5.895 1.00 10.00 H new ATOM 650 N GLY A 62 2.251 6.437 -8.275 1.00 10.00 N ATOM 651 CA GLY A 62 2.857 7.718 -8.555 1.00 10.00 C ATOM 652 C GLY A 62 4.104 7.979 -7.736 1.00 10.00 C ATOM 653 O GLY A 62 5.184 8.195 -8.290 1.00 10.00 O ATOM 0 H GLY A 62 2.553 5.678 -8.886 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.108 7.770 -9.614 1.00 10.00 H new ATOM 0 HA3 GLY A 62 2.130 8.507 -8.360 1.00 10.00 H new ATOM 657 N THR A 63 3.974 7.942 -6.418 1.00 10.00 N ATOM 658 CA THR A 63 5.104 8.211 -5.549 1.00 10.00 C ATOM 659 C THR A 63 5.447 7.023 -4.652 1.00 10.00 C ATOM 660 O THR A 63 4.651 6.095 -4.491 1.00 10.00 O ATOM 661 CB THR A 63 4.837 9.448 -4.672 1.00 10.00 C ATOM 662 OG1 THR A 63 3.720 9.204 -3.808 1.00 10.00 O ATOM 663 CG2 THR A 63 4.557 10.662 -5.538 1.00 10.00 C ATOM 0 H THR A 63 3.103 7.730 -5.932 1.00 10.00 H new ATOM 0 HA THR A 63 5.956 8.398 -6.202 1.00 10.00 H new ATOM 0 HB THR A 63 5.724 9.643 -4.069 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.557 9.995 -3.252 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.370 11.527 -4.902 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.418 10.860 -6.177 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.681 10.472 -6.158 1.00 10.00 H new ATOM 671 N LEU A 64 6.644 7.075 -4.073 1.00 10.00 N ATOM 672 CA LEU A 64 7.140 6.033 -3.184 1.00 10.00 C ATOM 673 C LEU A 64 6.252 5.883 -1.953 1.00 10.00 C ATOM 674 O LEU A 64 5.909 4.769 -1.559 1.00 10.00 O ATOM 675 CB LEU A 64 8.570 6.371 -2.754 1.00 10.00 C ATOM 676 CG LEU A 64 9.166 5.455 -1.684 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.496 4.089 -2.270 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.399 6.093 -1.060 1.00 10.00 C ATOM 0 H LEU A 64 7.298 7.845 -4.209 1.00 10.00 H new ATOM 0 HA LEU A 64 7.127 5.086 -3.724 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.213 6.340 -3.634 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.587 7.395 -2.382 1.00 10.00 H new ATOM 0 HG LEU A 64 8.424 5.314 -0.898 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.919 3.452 -1.493 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.587 3.631 -2.660 1.00 10.00 H new ATOM 0 HD13 LEU A 64 10.219 4.205 -3.078 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.809 5.427 -0.301 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.148 6.268 -1.832 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.124 7.042 -0.599 1.00 10.00 H new ATOM 690 N LYS A 65 5.879 7.012 -1.354 1.00 10.00 N ATOM 691 CA LYS A 65 5.041 7.003 -0.163 1.00 10.00 C ATOM 692 C LYS A 65 3.713 6.314 -0.441 1.00 10.00 C ATOM 693 O LYS A 65 3.308 5.416 0.294 1.00 10.00 O ATOM 694 CB LYS A 65 4.799 8.423 0.344 1.00 10.00 C ATOM 695 CG LYS A 65 3.834 8.484 1.521 1.00 10.00 C ATOM 696 CD LYS A 65 4.177 9.614 2.476 1.00 10.00 C ATOM 697 CE LYS A 65 4.343 10.933 1.742 1.00 10.00 C ATOM 698 NZ LYS A 65 4.056 12.100 2.615 1.00 10.00 N ATOM 0 H LYS A 65 6.145 7.943 -1.676 1.00 10.00 H new ATOM 0 HA LYS A 65 5.568 6.444 0.610 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.751 8.863 0.640 1.00 10.00 H new ATOM 0 HB3 LYS A 65 4.406 9.031 -0.471 1.00 10.00 H new ATOM 0 HG2 LYS A 65 2.818 8.617 1.151 1.00 10.00 H new ATOM 0 HG3 LYS A 65 3.856 7.536 2.058 1.00 10.00 H new ATOM 0 HD2 LYS A 65 3.391 9.710 3.225 1.00 10.00 H new ATOM 0 HD3 LYS A 65 5.097 9.375 3.009 1.00 10.00 H new ATOM 0 HE2 LYS A 65 5.361 11.009 1.360 1.00 10.00 H new ATOM 0 HE3 LYS A 65 3.677 10.954 0.880 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 4.182 12.978 2.073 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 3.076 12.043 2.960 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 4.709 12.097 3.425 1.00 10.00 H new ATOM 712 N THR A 66 3.053 6.725 -1.515 1.00 10.00 N ATOM 713 CA THR A 66 1.773 6.154 -1.892 1.00 10.00 C ATOM 714 C THR A 66 1.903 4.656 -2.169 1.00 10.00 C ATOM 715 O THR A 66 1.081 3.860 -1.712 1.00 10.00 O ATOM 716 CB THR A 66 1.216 6.883 -3.124 1.00 10.00 C ATOM 717 OG1 THR A 66 1.149 8.288 -2.850 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.162 6.371 -3.491 1.00 10.00 C ATOM 0 H THR A 66 3.388 7.456 -2.142 1.00 10.00 H new ATOM 0 HA THR A 66 1.079 6.282 -1.061 1.00 10.00 H new ATOM 0 HB THR A 66 1.882 6.695 -3.966 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.982 8.717 -3.136 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.528 6.907 -4.367 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.107 5.306 -3.715 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.844 6.531 -2.656 1.00 10.00 H new ATOM 726 N MET A 67 2.958 4.279 -2.882 1.00 10.00 N ATOM 727 CA MET A 67 3.206 2.878 -3.212 1.00 10.00 C ATOM 728 C MET A 67 3.379 2.050 -1.943 1.00 10.00 C ATOM 729 O MET A 67 2.720 1.025 -1.766 1.00 10.00 O ATOM 730 CB MET A 67 4.457 2.754 -4.083 1.00 10.00 C ATOM 731 CG MET A 67 4.736 1.337 -4.555 1.00 10.00 C ATOM 732 SD MET A 67 6.342 1.186 -5.363 1.00 10.00 S ATOM 733 CE MET A 67 7.450 1.338 -3.965 1.00 10.00 C ATOM 0 H MET A 67 3.659 4.926 -3.244 1.00 10.00 H new ATOM 0 HA MET A 67 2.346 2.499 -3.764 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.349 3.402 -4.953 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.318 3.116 -3.521 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.696 0.658 -3.703 1.00 10.00 H new ATOM 0 HG3 MET A 67 3.953 1.027 -5.247 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.256 2.029 -4.213 1.00 10.00 H new ATOM 0 HE2 MET A 67 6.899 1.717 -3.104 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.870 0.361 -3.726 1.00 10.00 H new ATOM 743 N LEU A 68 4.252 2.517 -1.054 1.00 10.00 N ATOM 744 CA LEU A 68 4.518 1.827 0.205 1.00 10.00 C ATOM 745 C LEU A 68 3.268 1.788 1.078 1.00 10.00 C ATOM 746 O LEU A 68 3.029 0.812 1.788 1.00 10.00 O ATOM 747 CB LEU A 68 5.663 2.505 0.958 1.00 10.00 C ATOM 748 CG LEU A 68 7.044 2.352 0.319 1.00 10.00 C ATOM 749 CD1 LEU A 68 8.039 3.285 0.986 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.527 0.911 0.409 1.00 10.00 C ATOM 0 H LEU A 68 4.789 3.374 -1.183 1.00 10.00 H new ATOM 0 HA LEU A 68 4.809 0.803 -0.028 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.438 3.568 1.048 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.701 2.100 1.969 1.00 10.00 H new ATOM 0 HG LEU A 68 6.964 2.619 -0.735 1.00 10.00 H new ATOM 0 HD11 LEU A 68 9.018 3.166 0.521 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.705 4.316 0.870 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.109 3.044 2.047 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.511 0.828 -0.052 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.590 0.613 1.456 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.826 0.259 -0.112 1.00 10.00 H new ATOM 762 N GLU A 69 2.473 2.855 1.017 1.00 10.00 N ATOM 763 CA GLU A 69 1.232 2.939 1.780 1.00 10.00 C ATOM 764 C GLU A 69 0.296 1.817 1.358 1.00 10.00 C ATOM 765 O GLU A 69 -0.319 1.157 2.197 1.00 10.00 O ATOM 766 CB GLU A 69 0.559 4.299 1.565 1.00 10.00 C ATOM 767 CG GLU A 69 0.733 5.261 2.726 1.00 10.00 C ATOM 768 CD GLU A 69 0.061 4.770 3.991 1.00 10.00 C ATOM 769 OE1 GLU A 69 -1.065 4.234 3.903 1.00 10.00 O ATOM 770 OE2 GLU A 69 0.652 4.916 5.082 1.00 10.00 O ATOM 0 H GLU A 69 2.669 3.676 0.444 1.00 10.00 H new ATOM 0 HA GLU A 69 1.462 2.835 2.840 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.966 4.756 0.663 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.506 4.143 1.391 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.796 5.407 2.916 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.321 6.233 2.453 1.00 10.00 H new ATOM 777 N ARG A 70 0.214 1.597 0.046 1.00 10.00 N ATOM 778 CA ARG A 70 -0.624 0.541 -0.510 1.00 10.00 C ATOM 779 C ARG A 70 -0.096 -0.819 -0.067 1.00 10.00 C ATOM 780 O ARG A 70 -0.856 -1.681 0.373 1.00 10.00 O ATOM 781 CB ARG A 70 -0.638 0.615 -2.040 1.00 10.00 C ATOM 782 CG ARG A 70 -1.110 1.947 -2.601 1.00 10.00 C ATOM 783 CD ARG A 70 -2.541 2.260 -2.208 1.00 10.00 C ATOM 784 NE ARG A 70 -3.031 3.460 -2.884 1.00 10.00 N ATOM 785 CZ ARG A 70 -3.536 4.526 -2.256 1.00 10.00 C ATOM 786 NH1 ARG A 70 -3.639 4.541 -0.932 1.00 10.00 N ATOM 787 NH2 ARG A 70 -3.933 5.585 -2.953 1.00 10.00 N ATOM 0 H ARG A 70 0.721 2.140 -0.653 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.642 0.674 -0.145 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.367 0.415 -2.410 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -1.283 -0.176 -2.424 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -0.455 2.742 -2.244 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.029 1.931 -3.688 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -3.181 1.414 -2.457 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.601 2.399 -1.129 1.00 10.00 H new ATOM 0 HE ARG A 70 -2.984 3.485 -3.903 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -3.332 3.735 -0.387 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -4.025 5.358 -0.460 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -3.853 5.586 -3.970 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -4.318 6.397 -2.471 1.00 10.00 H new ATOM 801 N TRP A 71 1.220 -0.986 -0.178 1.00 10.00 N ATOM 802 CA TRP A 71 1.888 -2.227 0.208 1.00 10.00 C ATOM 803 C TRP A 71 1.564 -2.589 1.651 1.00 10.00 C ATOM 804 O TRP A 71 1.157 -3.712 1.954 1.00 10.00 O ATOM 805 CB TRP A 71 3.406 -2.082 0.071 1.00 10.00 C ATOM 806 CG TRP A 71 3.917 -2.091 -1.339 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.189 -1.986 -2.489 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.286 -2.214 -1.739 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.025 -2.029 -3.579 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.316 -2.174 -3.144 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.490 -2.359 -1.043 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.503 -2.263 -3.865 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.667 -2.451 -1.760 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.667 -2.404 -3.159 1.00 10.00 C ATOM 0 H TRP A 71 1.851 -0.269 -0.536 1.00 10.00 H new ATOM 0 HA TRP A 71 1.529 -3.015 -0.455 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.712 -1.150 0.547 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.885 -2.892 0.621 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.115 -1.884 -2.535 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.732 -1.964 -4.554 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.500 -2.398 0.036 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.506 -2.222 -4.944 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.603 -2.561 -1.232 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.603 -2.480 -3.692 1.00 10.00 H new ATOM 825 N ALA A 72 1.743 -1.619 2.534 1.00 10.00 N ATOM 826 CA ALA A 72 1.498 -1.814 3.949 1.00 10.00 C ATOM 827 C ALA A 72 0.025 -2.064 4.253 1.00 10.00 C ATOM 828 O ALA A 72 -0.315 -3.051 4.900 1.00 10.00 O ATOM 829 CB ALA A 72 1.997 -0.616 4.737 1.00 10.00 C ATOM 0 H ALA A 72 2.060 -0.681 2.289 1.00 10.00 H new ATOM 0 HA ALA A 72 2.048 -2.705 4.252 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.807 -0.774 5.799 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.068 -0.494 4.574 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.475 0.281 4.405 1.00 10.00 H new ATOM 835 N ALA A 73 -0.845 -1.184 3.767 1.00 10.00 N ATOM 836 CA ALA A 73 -2.281 -1.295 4.022 1.00 10.00 C ATOM 837 C ALA A 73 -2.842 -2.643 3.586 1.00 10.00 C ATOM 838 O ALA A 73 -3.615 -3.266 4.317 1.00 10.00 O ATOM 839 CB ALA A 73 -3.033 -0.173 3.325 1.00 10.00 C ATOM 0 H ALA A 73 -0.582 -0.383 3.193 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.420 -1.212 5.100 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.100 -0.271 3.525 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.680 0.788 3.699 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.859 -0.231 2.251 1.00 10.00 H new ATOM 845 N ASP A 74 -2.430 -3.099 2.408 1.00 10.00 N ATOM 846 CA ASP A 74 -2.910 -4.363 1.861 1.00 10.00 C ATOM 847 C ASP A 74 -2.616 -5.535 2.793 1.00 10.00 C ATOM 848 O ASP A 74 -3.424 -6.456 2.918 1.00 10.00 O ATOM 849 CB ASP A 74 -2.280 -4.631 0.498 1.00 10.00 C ATOM 850 CG ASP A 74 -3.130 -5.549 -0.355 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.090 -6.781 -0.145 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.840 -5.040 -1.249 1.00 10.00 O ATOM 0 H ASP A 74 -1.762 -2.610 1.812 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.991 -4.274 1.754 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -2.133 -3.686 -0.024 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.295 -5.076 0.636 1.00 10.00 H new ATOM 857 N SER A 75 -1.476 -5.490 3.468 1.00 10.00 N ATOM 858 CA SER A 75 -1.086 -6.575 4.359 1.00 10.00 C ATOM 859 C SER A 75 -1.252 -6.202 5.832 1.00 10.00 C ATOM 860 O SER A 75 -0.665 -6.846 6.705 1.00 10.00 O ATOM 861 CB SER A 75 0.357 -6.982 4.072 1.00 10.00 C ATOM 862 OG SER A 75 0.542 -7.229 2.685 1.00 10.00 O ATOM 0 H SER A 75 -0.809 -4.720 3.417 1.00 10.00 H new ATOM 0 HA SER A 75 -1.750 -7.418 4.167 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.035 -6.194 4.400 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.608 -7.876 4.643 1.00 10.00 H new ATOM 0 HG SER A 75 1.489 -7.410 2.508 1.00 10.00 H new ATOM 868 N ASN A 76 -2.053 -5.169 6.098 1.00 10.00 N ATOM 869 CA ASN A 76 -2.312 -4.710 7.470 1.00 10.00 C ATOM 870 C ASN A 76 -1.009 -4.330 8.183 1.00 10.00 C ATOM 871 O ASN A 76 -0.853 -4.522 9.391 1.00 10.00 O ATOM 872 CB ASN A 76 -3.059 -5.792 8.264 1.00 10.00 C ATOM 873 CG ASN A 76 -3.672 -5.260 9.546 1.00 10.00 C ATOM 874 OD1 ASN A 76 -4.111 -4.111 9.613 1.00 10.00 O ATOM 875 ND2 ASN A 76 -3.698 -6.091 10.575 1.00 10.00 N ATOM 0 H ASN A 76 -2.537 -4.630 5.380 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.937 -3.819 7.414 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.845 -6.217 7.640 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.370 -6.601 8.504 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -4.092 -5.788 11.466 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -3.324 -7.035 10.478 1.00 10.00 H new ATOM 882 N MET A 77 -0.081 -3.769 7.427 1.00 10.00 N ATOM 883 CA MET A 77 1.209 -3.356 7.958 1.00 10.00 C ATOM 884 C MET A 77 1.237 -1.845 8.144 1.00 10.00 C ATOM 885 O MET A 77 0.296 -1.149 7.755 1.00 10.00 O ATOM 886 CB MET A 77 2.336 -3.785 7.013 1.00 10.00 C ATOM 887 CG MET A 77 2.452 -5.290 6.840 1.00 10.00 C ATOM 888 SD MET A 77 3.505 -5.755 5.452 1.00 10.00 S ATOM 889 CE MET A 77 5.030 -4.924 5.887 1.00 10.00 C ATOM 0 H MET A 77 -0.199 -3.587 6.430 1.00 10.00 H new ATOM 0 HA MET A 77 1.358 -3.838 8.924 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.173 -3.328 6.037 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.282 -3.398 7.392 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.852 -5.727 7.755 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.458 -5.712 6.693 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.876 -5.569 5.651 1.00 10.00 H new ATOM 0 HE2 MET A 77 5.113 -3.996 5.321 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.031 -4.700 6.954 1.00 10.00 H new ATOM 899 N GLN A 78 2.308 -1.344 8.739 1.00 10.00 N ATOM 900 CA GLN A 78 2.455 0.087 8.971 1.00 10.00 C ATOM 901 C GLN A 78 3.605 0.652 8.152 1.00 10.00 C ATOM 902 O GLN A 78 4.506 -0.081 7.743 1.00 10.00 O ATOM 903 CB GLN A 78 2.689 0.367 10.457 1.00 10.00 C ATOM 904 CG GLN A 78 1.428 0.279 11.293 1.00 10.00 C ATOM 905 CD GLN A 78 0.366 1.266 10.853 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.669 2.341 10.339 1.00 10.00 O ATOM 907 NE2 GLN A 78 -0.889 0.907 11.049 1.00 10.00 N ATOM 0 H GLN A 78 3.091 -1.907 9.071 1.00 10.00 H new ATOM 0 HA GLN A 78 1.532 0.575 8.659 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.421 -0.343 10.842 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.121 1.362 10.568 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.026 -0.732 11.232 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.677 0.461 12.339 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -1.101 0.006 11.479 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -1.647 1.530 10.771 1.00 10.00 H new ATOM 916 N LEU A 79 3.570 1.954 7.912 1.00 10.00 N ATOM 917 CA LEU A 79 4.611 2.620 7.145 1.00 10.00 C ATOM 918 C LEU A 79 5.211 3.779 7.932 1.00 10.00 C ATOM 919 O LEU A 79 4.494 4.601 8.503 1.00 10.00 O ATOM 920 CB LEU A 79 4.058 3.130 5.808 1.00 10.00 C ATOM 921 CG LEU A 79 5.024 4.001 4.995 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.191 3.174 4.480 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.304 4.674 3.839 1.00 10.00 C ATOM 0 H LEU A 79 2.828 2.573 8.239 1.00 10.00 H new ATOM 0 HA LEU A 79 5.396 1.890 6.947 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.768 2.272 5.201 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.152 3.704 6.002 1.00 10.00 H new ATOM 0 HG LEU A 79 5.413 4.776 5.655 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.864 3.812 3.906 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.731 2.742 5.323 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.816 2.374 3.841 1.00 10.00 H new ATOM 0 HD21 LEU A 79 5.010 5.286 3.278 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.880 3.914 3.182 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.504 5.305 4.226 1.00 10.00 H new ATOM 935 N SER A 80 6.529 3.818 7.972 1.00 10.00 N ATOM 936 CA SER A 80 7.256 4.871 8.654 1.00 10.00 C ATOM 937 C SER A 80 8.057 5.669 7.635 1.00 10.00 C ATOM 938 O SER A 80 9.161 5.277 7.251 1.00 10.00 O ATOM 939 CB SER A 80 8.189 4.275 9.710 1.00 10.00 C ATOM 940 OG SER A 80 7.726 4.549 11.018 1.00 10.00 O ATOM 0 H SER A 80 7.127 3.119 7.531 1.00 10.00 H new ATOM 0 HA SER A 80 6.548 5.531 9.156 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.263 3.197 9.566 1.00 10.00 H new ATOM 0 HB3 SER A 80 9.192 4.683 9.584 1.00 10.00 H new ATOM 0 HG SER A 80 8.341 4.155 11.672 1.00 10.00 H new ATOM 946 N TYR A 81 7.493 6.780 7.193 1.00 10.00 N ATOM 947 CA TYR A 81 8.141 7.634 6.213 1.00 10.00 C ATOM 948 C TYR A 81 8.970 8.700 6.915 1.00 10.00 C ATOM 949 O TYR A 81 8.444 9.720 7.358 1.00 10.00 O ATOM 950 CB TYR A 81 7.081 8.283 5.317 1.00 10.00 C ATOM 951 CG TYR A 81 7.565 8.652 3.933 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.819 7.676 2.978 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.753 9.979 3.580 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.243 8.016 1.708 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.172 10.327 2.312 1.00 10.00 C ATOM 956 CZ TYR A 81 8.421 9.342 1.380 1.00 10.00 C ATOM 957 OH TYR A 81 8.841 9.687 0.117 1.00 10.00 O ATOM 0 H TYR A 81 6.580 7.114 7.501 1.00 10.00 H new ATOM 0 HA TYR A 81 8.807 7.032 5.594 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.237 7.600 5.222 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.710 9.182 5.809 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.683 6.635 3.232 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.568 10.754 4.309 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.434 7.246 0.976 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.304 11.367 2.051 1.00 10.00 H new ATOM 0 HH TYR A 81 9.385 10.501 0.164 1.00 10.00 H new ATOM 967 N ASN A 82 10.271 8.461 7.020 1.00 10.00 N ATOM 968 CA ASN A 82 11.164 9.404 7.683 1.00 10.00 C ATOM 969 C ASN A 82 11.812 10.340 6.673 1.00 10.00 C ATOM 970 O ASN A 82 12.756 11.055 6.996 1.00 10.00 O ATOM 971 CB ASN A 82 12.244 8.667 8.484 1.00 10.00 C ATOM 972 CG ASN A 82 11.731 8.143 9.811 1.00 10.00 C ATOM 973 OD1 ASN A 82 11.707 8.863 10.810 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.328 6.884 9.835 1.00 10.00 N ATOM 0 H ASN A 82 10.730 7.626 6.656 1.00 10.00 H new ATOM 0 HA ASN A 82 10.564 9.997 8.373 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.626 7.835 7.892 1.00 10.00 H new ATOM 0 HB3 ASN A 82 13.082 9.341 8.663 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.981 6.476 10.703 1.00 10.00 H new ATOM 0 HD22 ASN A 82 11.364 6.321 8.985 1.00 10.00 H new ATOM 981 N LEU A 83 11.305 10.330 5.450 1.00 10.00 N ATOM 982 CA LEU A 83 11.837 11.191 4.409 1.00 10.00 C ATOM 983 C LEU A 83 11.199 12.572 4.512 1.00 10.00 C ATOM 984 O LEU A 83 10.049 12.693 4.934 1.00 10.00 O ATOM 985 CB LEU A 83 11.581 10.593 3.022 1.00 10.00 C ATOM 986 CG LEU A 83 12.080 9.161 2.819 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.887 8.732 1.374 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.541 9.034 3.220 1.00 10.00 C ATOM 0 H LEU A 83 10.529 9.737 5.156 1.00 10.00 H new ATOM 0 HA LEU A 83 12.915 11.279 4.546 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.509 10.616 2.828 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.054 11.233 2.277 1.00 10.00 H new ATOM 0 HG LEU A 83 11.493 8.502 3.459 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.247 7.711 1.246 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.828 8.778 1.119 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.447 9.399 0.719 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.872 8.007 3.067 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.145 9.705 2.610 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.654 9.299 4.271 1.00 10.00 H new ATOM 1000 N PRO A 84 11.944 13.631 4.158 1.00 10.00 N ATOM 1001 CA PRO A 84 11.442 15.007 4.218 1.00 10.00 C ATOM 1002 C PRO A 84 10.177 15.208 3.386 1.00 10.00 C ATOM 1003 O PRO A 84 9.236 15.876 3.822 1.00 10.00 O ATOM 1004 CB PRO A 84 12.598 15.850 3.660 1.00 10.00 C ATOM 1005 CG PRO A 84 13.507 14.884 2.978 1.00 10.00 C ATOM 1006 CD PRO A 84 13.337 13.575 3.692 1.00 10.00 C ATOM 0 HA PRO A 84 11.156 15.283 5.233 1.00 10.00 H new ATOM 0 HB2 PRO A 84 12.232 16.603 2.962 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.117 16.380 4.458 1.00 10.00 H new ATOM 0 HG2 PRO A 84 13.252 14.788 1.923 1.00 10.00 H new ATOM 0 HG3 PRO A 84 14.542 15.222 3.026 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.506 12.728 3.027 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.036 13.474 4.522 1.00 10.00 H new ATOM 1014 N SER A 85 10.154 14.624 2.195 1.00 10.00 N ATOM 1015 CA SER A 85 9.008 14.742 1.304 1.00 10.00 C ATOM 1016 C SER A 85 8.845 13.463 0.487 1.00 10.00 C ATOM 1017 O SER A 85 9.718 12.592 0.507 1.00 10.00 O ATOM 1018 CB SER A 85 9.193 15.941 0.365 1.00 10.00 C ATOM 1019 OG SER A 85 9.755 17.052 1.053 1.00 10.00 O ATOM 0 H SER A 85 10.919 14.062 1.823 1.00 10.00 H new ATOM 0 HA SER A 85 8.111 14.896 1.904 1.00 10.00 H new ATOM 0 HB2 SER A 85 9.840 15.659 -0.466 1.00 10.00 H new ATOM 0 HB3 SER A 85 8.231 16.223 -0.062 1.00 10.00 H new ATOM 0 HG SER A 85 9.863 17.801 0.431 1.00 10.00 H new ATOM 1025 N ASP A 86 7.730 13.351 -0.225 1.00 10.00 N ATOM 1026 CA ASP A 86 7.466 12.183 -1.057 1.00 10.00 C ATOM 1027 C ASP A 86 8.204 12.309 -2.382 1.00 10.00 C ATOM 1028 O ASP A 86 8.411 13.414 -2.885 1.00 10.00 O ATOM 1029 CB ASP A 86 5.963 12.013 -1.298 1.00 10.00 C ATOM 1030 CG ASP A 86 5.373 13.108 -2.164 1.00 10.00 C ATOM 1031 OD1 ASP A 86 5.183 14.235 -1.662 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.086 12.846 -3.348 1.00 10.00 O ATOM 0 H ASP A 86 6.993 14.056 -0.243 1.00 10.00 H new ATOM 0 HA ASP A 86 7.827 11.298 -0.533 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.784 11.047 -1.771 1.00 10.00 H new ATOM 0 HB3 ASP A 86 5.446 11.999 -0.338 1.00 10.00 H new ATOM 1037 N TYR A 87 8.614 11.177 -2.935 1.00 10.00 N ATOM 1038 CA TYR A 87 9.342 11.166 -4.197 1.00 10.00 C ATOM 1039 C TYR A 87 8.635 10.292 -5.222 1.00 10.00 C ATOM 1040 O TYR A 87 8.067 9.255 -4.877 1.00 10.00 O ATOM 1041 CB TYR A 87 10.769 10.654 -3.981 1.00 10.00 C ATOM 1042 CG TYR A 87 11.557 11.456 -2.971 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.080 12.701 -3.297 1.00 10.00 C ATOM 1044 CD2 TYR A 87 11.770 10.972 -1.685 1.00 10.00 C ATOM 1045 CE1 TYR A 87 12.790 13.440 -2.373 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.481 11.707 -0.758 1.00 10.00 C ATOM 1047 CZ TYR A 87 12.987 12.938 -1.106 1.00 10.00 C ATOM 1048 OH TYR A 87 13.687 13.679 -0.182 1.00 10.00 O ATOM 0 H TYR A 87 8.455 10.254 -2.531 1.00 10.00 H new ATOM 0 HA TYR A 87 9.379 12.188 -4.575 1.00 10.00 H new ATOM 0 HB2 TYR A 87 10.727 9.615 -3.653 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.298 10.667 -4.934 1.00 10.00 H new ATOM 0 HD1 TYR A 87 11.928 13.097 -4.290 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.373 10.007 -1.407 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.189 14.407 -2.642 1.00 10.00 H new ATOM 0 HE2 TYR A 87 12.639 11.317 0.237 1.00 10.00 H new ATOM 0 HH TYR A 87 13.561 14.633 -0.365 1.00 10.00 H new ATOM 1058 N THR A 88 8.668 10.722 -6.473 1.00 10.00 N ATOM 1059 CA THR A 88 8.048 9.986 -7.562 1.00 10.00 C ATOM 1060 C THR A 88 8.904 8.784 -7.951 1.00 10.00 C ATOM 1061 O THR A 88 10.124 8.797 -7.753 1.00 10.00 O ATOM 1062 CB THR A 88 7.862 10.897 -8.793 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.419 12.195 -8.528 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.391 11.037 -9.150 1.00 10.00 C ATOM 0 H THR A 88 9.124 11.588 -6.761 1.00 10.00 H new ATOM 0 HA THR A 88 7.073 9.638 -7.221 1.00 10.00 H new ATOM 0 HB THR A 88 8.380 10.440 -9.636 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.300 12.769 -9.313 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.288 11.684 -10.021 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.977 10.055 -9.377 1.00 10.00 H new ATOM 0 HG23 THR A 88 5.852 11.473 -8.309 1.00 10.00 H new ATOM 1072 N LEU A 89 8.270 7.738 -8.481 1.00 10.00 N ATOM 1073 CA LEU A 89 8.991 6.545 -8.909 1.00 10.00 C ATOM 1074 C LEU A 89 10.027 6.906 -9.966 1.00 10.00 C ATOM 1075 O LEU A 89 9.752 7.691 -10.875 1.00 10.00 O ATOM 1076 CB LEU A 89 8.023 5.499 -9.472 1.00 10.00 C ATOM 1077 CG LEU A 89 7.187 4.713 -8.444 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.625 4.996 -7.014 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.705 5.005 -8.623 1.00 10.00 C ATOM 0 H LEU A 89 7.261 7.695 -8.623 1.00 10.00 H new ATOM 0 HA LEU A 89 9.496 6.123 -8.040 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.339 6.001 -10.156 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.598 4.785 -10.062 1.00 10.00 H new ATOM 0 HG LEU A 89 7.359 3.653 -8.629 1.00 10.00 H new ATOM 0 HD11 LEU A 89 7.008 4.420 -6.324 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.670 4.711 -6.890 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.511 6.059 -6.802 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.132 4.440 -7.888 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.525 6.071 -8.483 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.395 4.713 -9.626 1.00 10.00 H new ATOM 1091 N ILE A 90 11.220 6.348 -9.835 1.00 10.00 N ATOM 1092 CA ILE A 90 12.292 6.623 -10.780 1.00 10.00 C ATOM 1093 C ILE A 90 12.158 5.776 -12.040 1.00 10.00 C ATOM 1094 O ILE A 90 12.608 6.175 -13.110 1.00 10.00 O ATOM 1095 CB ILE A 90 13.685 6.380 -10.162 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.639 5.240 -9.141 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.210 7.654 -9.516 1.00 10.00 C ATOM 1098 CD1 ILE A 90 15.005 4.719 -8.756 1.00 10.00 C ATOM 0 H ILE A 90 11.471 5.703 -9.085 1.00 10.00 H new ATOM 0 HA ILE A 90 12.201 7.677 -11.041 1.00 10.00 H new ATOM 0 HB ILE A 90 14.366 6.090 -10.962 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.125 5.587 -8.244 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.048 4.420 -9.550 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.193 7.465 -9.085 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.289 8.438 -10.269 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.525 7.973 -8.730 1.00 10.00 H new ATOM 0 HD11 ILE A 90 14.896 3.913 -8.030 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.514 4.342 -9.643 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.592 5.526 -8.317 1.00 10.00 H new ATOM 1110 N GLY A 91 11.543 4.608 -11.910 1.00 10.00 N ATOM 1111 CA GLY A 91 11.377 3.736 -13.062 1.00 10.00 C ATOM 1112 C GLY A 91 11.630 2.268 -12.747 1.00 10.00 C ATOM 1113 O GLY A 91 10.717 1.451 -12.862 1.00 10.00 O ATOM 0 H GLY A 91 11.158 4.249 -11.036 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.365 3.848 -13.451 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.059 4.054 -13.851 1.00 10.00 H new ATOM 1117 N PRO A 92 12.863 1.901 -12.332 1.00 10.00 N ATOM 1118 CA PRO A 92 13.222 0.506 -12.014 1.00 10.00 C ATOM 1119 C PRO A 92 12.356 -0.099 -10.911 1.00 10.00 C ATOM 1120 O PRO A 92 12.327 -1.316 -10.725 1.00 10.00 O ATOM 1121 CB PRO A 92 14.674 0.592 -11.538 1.00 10.00 C ATOM 1122 CG PRO A 92 15.190 1.893 -12.053 1.00 10.00 C ATOM 1123 CD PRO A 92 14.008 2.813 -12.159 1.00 10.00 C ATOM 0 HA PRO A 92 13.075 -0.137 -12.882 1.00 10.00 H new ATOM 0 HB2 PRO A 92 14.733 0.550 -10.450 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.262 -0.242 -11.921 1.00 10.00 H new ATOM 0 HG2 PRO A 92 15.942 2.305 -11.380 1.00 10.00 H new ATOM 0 HG3 PRO A 92 15.668 1.763 -13.024 1.00 10.00 H new ATOM 0 HD2 PRO A 92 13.898 3.427 -11.265 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.107 3.495 -13.004 1.00 10.00 H new ATOM 1131 N VAL A 93 11.657 0.762 -10.186 1.00 10.00 N ATOM 1132 CA VAL A 93 10.786 0.339 -9.097 1.00 10.00 C ATOM 1133 C VAL A 93 9.666 -0.562 -9.613 1.00 10.00 C ATOM 1134 O VAL A 93 9.273 -1.528 -8.959 1.00 10.00 O ATOM 1135 CB VAL A 93 10.161 1.554 -8.379 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.839 1.217 -6.931 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.084 2.761 -8.458 1.00 10.00 C ATOM 0 H VAL A 93 11.677 1.771 -10.335 1.00 10.00 H new ATOM 0 HA VAL A 93 11.402 -0.217 -8.390 1.00 10.00 H new ATOM 0 HB VAL A 93 9.229 1.805 -8.886 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.399 2.087 -6.444 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.132 0.388 -6.899 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.754 0.934 -6.411 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.623 3.606 -7.945 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.036 2.523 -7.982 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.255 3.020 -9.503 1.00 10.00 H new ATOM 1147 N SER A 94 9.175 -0.250 -10.805 1.00 10.00 N ATOM 1148 CA SER A 94 8.101 -1.015 -11.417 1.00 10.00 C ATOM 1149 C SER A 94 8.581 -2.391 -11.885 1.00 10.00 C ATOM 1150 O SER A 94 7.776 -3.280 -12.158 1.00 10.00 O ATOM 1151 CB SER A 94 7.522 -0.223 -12.588 1.00 10.00 C ATOM 1152 OG SER A 94 7.558 1.169 -12.315 1.00 10.00 O ATOM 0 H SER A 94 9.507 0.533 -11.369 1.00 10.00 H new ATOM 0 HA SER A 94 7.327 -1.183 -10.668 1.00 10.00 H new ATOM 0 HB2 SER A 94 8.089 -0.436 -13.494 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.495 -0.536 -12.774 1.00 10.00 H new ATOM 0 HG SER A 94 7.185 1.661 -13.076 1.00 10.00 H new ATOM 1158 N ALA A 95 9.895 -2.566 -11.954 1.00 10.00 N ATOM 1159 CA ALA A 95 10.477 -3.830 -12.389 1.00 10.00 C ATOM 1160 C ALA A 95 10.661 -4.769 -11.204 1.00 10.00 C ATOM 1161 O ALA A 95 11.110 -5.907 -11.358 1.00 10.00 O ATOM 1162 CB ALA A 95 11.807 -3.589 -13.086 1.00 10.00 C ATOM 0 H ALA A 95 10.578 -1.848 -11.714 1.00 10.00 H new ATOM 0 HA ALA A 95 9.794 -4.299 -13.097 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.229 -4.542 -13.405 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.651 -2.952 -13.957 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.496 -3.100 -12.397 1.00 10.00 H new ATOM 1168 N ILE A 96 10.301 -4.285 -10.024 1.00 10.00 N ATOM 1169 CA ILE A 96 10.414 -5.064 -8.806 1.00 10.00 C ATOM 1170 C ILE A 96 9.045 -5.606 -8.425 1.00 10.00 C ATOM 1171 O ILE A 96 8.137 -4.845 -8.099 1.00 10.00 O ATOM 1172 CB ILE A 96 10.983 -4.211 -7.650 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.374 -3.690 -8.024 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.044 -5.019 -6.359 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.826 -2.507 -7.201 1.00 10.00 C ATOM 0 H ILE A 96 9.925 -3.347 -9.887 1.00 10.00 H new ATOM 0 HA ILE A 96 11.102 -5.890 -8.985 1.00 10.00 H new ATOM 0 HB ILE A 96 10.320 -3.362 -7.484 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.097 -4.498 -7.909 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.375 -3.409 -9.077 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.448 -4.398 -5.560 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.041 -5.351 -6.090 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.687 -5.887 -6.503 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.819 -2.196 -7.525 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.126 -1.682 -7.335 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.859 -2.788 -6.148 1.00 10.00 H new ATOM 1187 N SER A 97 8.888 -6.914 -8.523 1.00 10.00 N ATOM 1188 CA SER A 97 7.630 -7.557 -8.195 1.00 10.00 C ATOM 1189 C SER A 97 7.875 -8.865 -7.453 1.00 10.00 C ATOM 1190 O SER A 97 8.143 -9.900 -8.061 1.00 10.00 O ATOM 1191 CB SER A 97 6.825 -7.809 -9.472 1.00 10.00 C ATOM 1192 OG SER A 97 6.864 -6.673 -10.322 1.00 10.00 O ATOM 0 H SER A 97 9.621 -7.554 -8.829 1.00 10.00 H new ATOM 0 HA SER A 97 7.058 -6.897 -7.542 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.227 -8.676 -9.996 1.00 10.00 H new ATOM 0 HB3 SER A 97 5.792 -8.043 -9.216 1.00 10.00 H new ATOM 0 HG SER A 97 6.345 -6.854 -11.134 1.00 10.00 H new ATOM 1198 N THR A 98 7.795 -8.809 -6.136 1.00 10.00 N ATOM 1199 CA THR A 98 8.007 -9.987 -5.309 1.00 10.00 C ATOM 1200 C THR A 98 6.883 -10.141 -4.294 1.00 10.00 C ATOM 1201 O THR A 98 6.199 -9.176 -3.958 1.00 10.00 O ATOM 1202 CB THR A 98 9.352 -9.940 -4.565 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.529 -11.146 -3.810 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.406 -8.747 -3.634 1.00 10.00 C ATOM 0 H THR A 98 7.584 -7.959 -5.613 1.00 10.00 H new ATOM 0 HA THR A 98 8.018 -10.843 -5.983 1.00 10.00 H new ATOM 0 HB THR A 98 10.152 -9.846 -5.300 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.454 -11.200 -3.492 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.366 -8.732 -3.117 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.290 -7.830 -4.211 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.601 -8.820 -2.903 1.00 10.00 H new ATOM 1212 N THR A 99 6.700 -11.355 -3.813 1.00 10.00 N ATOM 1213 CA THR A 99 5.669 -11.643 -2.841 1.00 10.00 C ATOM 1214 C THR A 99 6.189 -11.407 -1.426 1.00 10.00 C ATOM 1215 O THR A 99 5.415 -11.254 -0.478 1.00 10.00 O ATOM 1216 CB THR A 99 5.196 -13.096 -2.986 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.290 -13.916 -3.430 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.050 -13.195 -3.982 1.00 10.00 C ATOM 0 H THR A 99 7.259 -12.164 -4.084 1.00 10.00 H new ATOM 0 HA THR A 99 4.828 -10.974 -3.022 1.00 10.00 H new ATOM 0 HB THR A 99 4.843 -13.444 -2.015 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.988 -14.844 -3.521 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.732 -14.234 -4.068 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.214 -12.587 -3.636 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.382 -12.835 -4.956 1.00 10.00 H new ATOM 1226 N SER A 100 7.509 -11.368 -1.299 1.00 10.00 N ATOM 1227 CA SER A 100 8.155 -11.155 -0.015 1.00 10.00 C ATOM 1228 C SER A 100 8.438 -9.669 0.195 1.00 10.00 C ATOM 1229 O SER A 100 9.258 -9.081 -0.513 1.00 10.00 O ATOM 1230 CB SER A 100 9.458 -11.955 0.040 1.00 10.00 C ATOM 1231 OG SER A 100 9.402 -13.084 -0.823 1.00 10.00 O ATOM 0 H SER A 100 8.156 -11.483 -2.079 1.00 10.00 H new ATOM 0 HA SER A 100 7.492 -11.495 0.780 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.293 -11.316 -0.246 1.00 10.00 H new ATOM 0 HB3 SER A 100 9.644 -12.284 1.063 1.00 10.00 H new ATOM 0 HG SER A 100 10.247 -13.578 -0.771 1.00 10.00 H new ATOM 1237 N VAL A 101 7.765 -9.064 1.165 1.00 10.00 N ATOM 1238 CA VAL A 101 7.952 -7.646 1.451 1.00 10.00 C ATOM 1239 C VAL A 101 9.396 -7.348 1.860 1.00 10.00 C ATOM 1240 O VAL A 101 9.922 -6.271 1.566 1.00 10.00 O ATOM 1241 CB VAL A 101 6.970 -7.147 2.537 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.343 -7.672 3.916 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.897 -5.629 2.530 1.00 10.00 C ATOM 0 H VAL A 101 7.086 -9.531 1.766 1.00 10.00 H new ATOM 0 HA VAL A 101 7.737 -7.104 0.530 1.00 10.00 H new ATOM 0 HB VAL A 101 5.982 -7.541 2.300 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.630 -7.300 4.652 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.321 -8.762 3.909 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.345 -7.331 4.176 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.202 -5.295 3.300 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.886 -5.216 2.730 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.551 -5.286 1.555 1.00 10.00 H new ATOM 1253 N GLN A 102 10.043 -8.312 2.510 1.00 10.00 N ATOM 1254 CA GLN A 102 11.426 -8.146 2.934 1.00 10.00 C ATOM 1255 C GLN A 102 12.336 -8.044 1.717 1.00 10.00 C ATOM 1256 O GLN A 102 13.253 -7.220 1.678 1.00 10.00 O ATOM 1257 CB GLN A 102 11.860 -9.310 3.824 1.00 10.00 C ATOM 1258 CG GLN A 102 11.204 -9.306 5.197 1.00 10.00 C ATOM 1259 CD GLN A 102 11.391 -10.615 5.938 1.00 10.00 C ATOM 1260 OE1 GLN A 102 11.519 -11.675 5.330 1.00 10.00 O ATOM 1261 NE2 GLN A 102 11.406 -10.554 7.258 1.00 10.00 N ATOM 0 H GLN A 102 9.631 -9.213 2.753 1.00 10.00 H new ATOM 0 HA GLN A 102 11.504 -7.225 3.512 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.625 -10.248 3.321 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.942 -9.278 3.948 1.00 10.00 H new ATOM 0 HG2 GLN A 102 11.621 -8.494 5.792 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.138 -9.105 5.086 1.00 10.00 H new ATOM 0 HE21 GLN A 102 11.297 -9.656 7.728 1.00 10.00 H new ATOM 0 HE22 GLN A 102 11.527 -11.405 7.807 1.00 10.00 H new ATOM 1270 N GLN A 103 12.061 -8.873 0.715 1.00 10.00 N ATOM 1271 CA GLN A 103 12.839 -8.879 -0.516 1.00 10.00 C ATOM 1272 C GLN A 103 12.625 -7.573 -1.272 1.00 10.00 C ATOM 1273 O GLN A 103 13.572 -6.987 -1.796 1.00 10.00 O ATOM 1274 CB GLN A 103 12.436 -10.072 -1.386 1.00 10.00 C ATOM 1275 CG GLN A 103 13.166 -10.147 -2.716 1.00 10.00 C ATOM 1276 CD GLN A 103 12.960 -11.477 -3.417 1.00 10.00 C ATOM 1277 OE1 GLN A 103 11.911 -12.108 -3.288 1.00 10.00 O ATOM 1278 NE2 GLN A 103 13.959 -11.916 -4.159 1.00 10.00 N ATOM 0 H GLN A 103 11.300 -9.552 0.733 1.00 10.00 H new ATOM 0 HA GLN A 103 13.897 -8.971 -0.269 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.621 -10.991 -0.830 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.364 -10.024 -1.575 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.819 -9.341 -3.363 1.00 10.00 H new ATOM 0 HG3 GLN A 103 14.232 -9.988 -2.552 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.813 -11.365 -4.242 1.00 10.00 H new ATOM 0 HE22 GLN A 103 13.877 -12.806 -4.650 1.00 10.00 H new ATOM 1287 N ALA A 104 11.374 -7.125 -1.307 1.00 10.00 N ATOM 1288 CA ALA A 104 11.015 -5.882 -1.978 1.00 10.00 C ATOM 1289 C ALA A 104 11.811 -4.717 -1.409 1.00 10.00 C ATOM 1290 O ALA A 104 12.436 -3.961 -2.151 1.00 10.00 O ATOM 1291 CB ALA A 104 9.520 -5.621 -1.846 1.00 10.00 C ATOM 0 H ALA A 104 10.587 -7.609 -0.875 1.00 10.00 H new ATOM 0 HA ALA A 104 11.258 -5.979 -3.036 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.267 -4.689 -2.352 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.966 -6.442 -2.300 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.256 -5.544 -0.791 1.00 10.00 H new ATOM 1297 N ALA A 105 11.808 -4.597 -0.085 1.00 10.00 N ATOM 1298 CA ALA A 105 12.537 -3.532 0.590 1.00 10.00 C ATOM 1299 C ALA A 105 14.029 -3.637 0.300 1.00 10.00 C ATOM 1300 O ALA A 105 14.710 -2.628 0.138 1.00 10.00 O ATOM 1301 CB ALA A 105 12.283 -3.580 2.091 1.00 10.00 C ATOM 0 H ALA A 105 11.307 -5.227 0.542 1.00 10.00 H new ATOM 0 HA ALA A 105 12.178 -2.576 0.209 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.835 -2.777 2.579 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.217 -3.457 2.284 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.614 -4.541 2.486 1.00 10.00 H new ATOM 1307 N THR A 106 14.518 -4.867 0.214 1.00 10.00 N ATOM 1308 CA THR A 106 15.925 -5.124 -0.061 1.00 10.00 C ATOM 1309 C THR A 106 16.309 -4.618 -1.452 1.00 10.00 C ATOM 1310 O THR A 106 17.330 -3.950 -1.621 1.00 10.00 O ATOM 1311 CB THR A 106 16.237 -6.631 0.048 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.858 -7.114 1.344 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.713 -6.914 -0.184 1.00 10.00 C ATOM 0 H THR A 106 13.955 -5.709 0.332 1.00 10.00 H new ATOM 0 HA THR A 106 16.512 -4.586 0.684 1.00 10.00 H new ATOM 0 HB THR A 106 15.665 -7.146 -0.724 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.881 -7.116 1.419 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.896 -7.985 -0.100 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.996 -6.575 -1.180 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.307 -6.385 0.562 1.00 10.00 H new ATOM 1321 N GLU A 107 15.475 -4.920 -2.439 1.00 10.00 N ATOM 1322 CA GLU A 107 15.724 -4.492 -3.809 1.00 10.00 C ATOM 1323 C GLU A 107 15.553 -2.984 -3.946 1.00 10.00 C ATOM 1324 O GLU A 107 16.322 -2.322 -4.647 1.00 10.00 O ATOM 1325 CB GLU A 107 14.789 -5.223 -4.771 1.00 10.00 C ATOM 1326 CG GLU A 107 15.127 -6.695 -4.915 1.00 10.00 C ATOM 1327 CD GLU A 107 14.463 -7.340 -6.111 1.00 10.00 C ATOM 1328 OE1 GLU A 107 14.709 -6.891 -7.251 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.711 -8.319 -5.920 1.00 10.00 O ATOM 0 H GLU A 107 14.619 -5.461 -2.316 1.00 10.00 H new ATOM 0 HA GLU A 107 16.754 -4.742 -4.063 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.762 -5.123 -4.419 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.837 -4.746 -5.750 1.00 10.00 H new ATOM 0 HG2 GLU A 107 16.208 -6.807 -5.002 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.824 -7.222 -4.010 1.00 10.00 H new ATOM 1336 N LEU A 108 14.551 -2.446 -3.264 1.00 10.00 N ATOM 1337 CA LEU A 108 14.284 -1.015 -3.298 1.00 10.00 C ATOM 1338 C LEU A 108 15.451 -0.231 -2.706 1.00 10.00 C ATOM 1339 O LEU A 108 15.955 0.696 -3.327 1.00 10.00 O ATOM 1340 CB LEU A 108 13.010 -0.685 -2.524 1.00 10.00 C ATOM 1341 CG LEU A 108 11.804 -0.280 -3.368 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.207 -1.487 -4.073 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.761 0.397 -2.495 1.00 10.00 C ATOM 0 H LEU A 108 13.909 -2.981 -2.679 1.00 10.00 H new ATOM 0 HA LEU A 108 14.155 -0.728 -4.342 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.736 -1.554 -1.926 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.230 0.124 -1.828 1.00 10.00 H new ATOM 0 HG LEU A 108 12.136 0.425 -4.130 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.349 -1.173 -4.668 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.957 -1.935 -4.725 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.886 -2.219 -3.332 1.00 10.00 H new ATOM 0 HD21 LEU A 108 9.905 0.682 -3.106 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.437 -0.292 -1.715 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.192 1.287 -2.037 1.00 10.00 H new ATOM 1355 N SER A 109 15.895 -0.626 -1.513 1.00 10.00 N ATOM 1356 CA SER A 109 16.998 0.058 -0.839 1.00 10.00 C ATOM 1357 C SER A 109 18.295 -0.037 -1.640 1.00 10.00 C ATOM 1358 O SER A 109 19.199 0.773 -1.464 1.00 10.00 O ATOM 1359 CB SER A 109 17.204 -0.513 0.567 1.00 10.00 C ATOM 1360 OG SER A 109 17.209 -1.930 0.553 1.00 10.00 O ATOM 0 H SER A 109 15.509 -1.415 -0.994 1.00 10.00 H new ATOM 0 HA SER A 109 16.730 1.112 -0.761 1.00 10.00 H new ATOM 0 HB2 SER A 109 18.147 -0.148 0.975 1.00 10.00 H new ATOM 0 HB3 SER A 109 16.412 -0.157 1.226 1.00 10.00 H new ATOM 0 HG SER A 109 16.303 -2.262 0.723 1.00 10.00 H new ATOM 1366 N ALA A 110 18.377 -1.029 -2.518 1.00 10.00 N ATOM 1367 CA ALA A 110 19.558 -1.219 -3.348 1.00 10.00 C ATOM 1368 C ALA A 110 19.653 -0.134 -4.415 1.00 10.00 C ATOM 1369 O ALA A 110 20.701 0.489 -4.592 1.00 10.00 O ATOM 1370 CB ALA A 110 19.534 -2.598 -3.992 1.00 10.00 C ATOM 0 H ALA A 110 17.638 -1.715 -2.673 1.00 10.00 H new ATOM 0 HA ALA A 110 20.439 -1.145 -2.711 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.423 -2.727 -4.610 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.519 -3.362 -3.215 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.643 -2.694 -4.613 1.00 10.00 H new ATOM 1376 N VAL A 111 18.542 0.103 -5.105 1.00 10.00 N ATOM 1377 CA VAL A 111 18.488 1.105 -6.166 1.00 10.00 C ATOM 1378 C VAL A 111 18.267 2.510 -5.591 1.00 10.00 C ATOM 1379 O VAL A 111 18.708 3.513 -6.157 1.00 10.00 O ATOM 1380 CB VAL A 111 17.371 0.757 -7.189 1.00 10.00 C ATOM 1381 CG1 VAL A 111 16.028 0.557 -6.504 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.263 1.814 -8.277 1.00 10.00 C ATOM 0 H VAL A 111 17.662 -0.388 -4.948 1.00 10.00 H new ATOM 0 HA VAL A 111 19.448 1.098 -6.681 1.00 10.00 H new ATOM 0 HB VAL A 111 17.653 -0.185 -7.659 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.271 0.315 -7.250 1.00 10.00 H new ATOM 0 HG12 VAL A 111 16.104 -0.260 -5.786 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.745 1.472 -5.984 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.472 1.538 -8.975 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.029 2.778 -7.826 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.210 1.884 -8.812 1.00 10.00 H new ATOM 1392 N TYR A 112 17.606 2.563 -4.449 1.00 10.00 N ATOM 1393 CA TYR A 112 17.296 3.821 -3.785 1.00 10.00 C ATOM 1394 C TYR A 112 18.468 4.366 -2.974 1.00 10.00 C ATOM 1395 O TYR A 112 18.509 5.559 -2.674 1.00 10.00 O ATOM 1396 CB TYR A 112 16.060 3.663 -2.908 1.00 10.00 C ATOM 1397 CG TYR A 112 14.771 3.890 -3.667 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.620 3.425 -4.968 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.712 4.573 -3.092 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.453 3.631 -5.673 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.542 4.788 -3.788 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.414 4.315 -5.078 1.00 10.00 C ATOM 1403 OH TYR A 112 11.251 4.539 -5.775 1.00 10.00 O ATOM 0 H TYR A 112 17.268 1.737 -3.954 1.00 10.00 H new ATOM 0 HA TYR A 112 17.092 4.554 -4.566 1.00 10.00 H new ATOM 0 HB2 TYR A 112 16.051 2.662 -2.477 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.117 4.367 -2.078 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.434 2.891 -5.437 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.805 4.943 -2.082 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.354 3.260 -6.682 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.728 5.325 -3.325 1.00 10.00 H new ATOM 0 HH TYR A 112 10.621 5.034 -5.210 1.00 10.00 H new ATOM 1413 N ALA A 113 19.388 3.492 -2.580 1.00 10.00 N ATOM 1414 CA ALA A 113 20.556 3.895 -1.792 1.00 10.00 C ATOM 1415 C ALA A 113 21.281 5.095 -2.400 1.00 10.00 C ATOM 1416 O ALA A 113 21.666 6.017 -1.683 1.00 10.00 O ATOM 1417 CB ALA A 113 21.525 2.733 -1.643 1.00 10.00 C ATOM 0 H ALA A 113 19.350 2.495 -2.793 1.00 10.00 H new ATOM 0 HA ALA A 113 20.187 4.193 -0.810 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.386 3.051 -1.055 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.026 1.906 -1.138 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.858 2.409 -2.629 1.00 10.00 H new ATOM 1423 N ALA A 114 21.447 5.093 -3.722 1.00 10.00 N ATOM 1424 CA ALA A 114 22.127 6.193 -4.409 1.00 10.00 C ATOM 1425 C ALA A 114 21.285 7.465 -4.391 1.00 10.00 C ATOM 1426 O ALA A 114 21.800 8.566 -4.583 1.00 10.00 O ATOM 1427 CB ALA A 114 22.455 5.804 -5.840 1.00 10.00 C ATOM 0 H ALA A 114 21.122 4.347 -4.337 1.00 10.00 H new ATOM 0 HA ALA A 114 23.055 6.394 -3.874 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.960 6.633 -6.336 1.00 10.00 H new ATOM 0 HB2 ALA A 114 23.107 4.930 -5.839 1.00 10.00 H new ATOM 0 HB3 ALA A 114 21.534 5.569 -6.373 1.00 10.00 H new ATOM 1433 N GLN A 115 19.987 7.304 -4.166 1.00 10.00 N ATOM 1434 CA GLN A 115 19.070 8.436 -4.111 1.00 10.00 C ATOM 1435 C GLN A 115 19.014 8.992 -2.692 1.00 10.00 C ATOM 1436 O GLN A 115 18.503 10.087 -2.456 1.00 10.00 O ATOM 1437 CB GLN A 115 17.664 8.020 -4.558 1.00 10.00 C ATOM 1438 CG GLN A 115 17.609 7.422 -5.955 1.00 10.00 C ATOM 1439 CD GLN A 115 18.017 8.407 -7.035 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.850 9.621 -6.891 1.00 10.00 O ATOM 1441 NE2 GLN A 115 18.551 7.887 -8.127 1.00 10.00 N ATOM 0 H GLN A 115 19.544 6.397 -4.018 1.00 10.00 H new ATOM 0 HA GLN A 115 19.437 9.207 -4.789 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.268 7.294 -3.848 1.00 10.00 H new ATOM 0 HB3 GLN A 115 17.010 8.891 -4.521 1.00 10.00 H new ATOM 0 HG2 GLN A 115 18.263 6.551 -5.998 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.597 7.070 -6.155 1.00 10.00 H new ATOM 0 HE21 GLN A 115 18.671 6.877 -8.205 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.843 8.496 -8.892 1.00 10.00 H new ATOM 1450 N GLY A 116 19.549 8.223 -1.750 1.00 10.00 N ATOM 1451 CA GLY A 116 19.551 8.637 -0.364 1.00 10.00 C ATOM 1452 C GLY A 116 18.384 8.061 0.415 1.00 10.00 C ATOM 1453 O GLY A 116 17.979 8.617 1.436 1.00 10.00 O ATOM 0 H GLY A 116 19.983 7.317 -1.925 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.485 8.326 0.104 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.516 9.725 -0.313 1.00 10.00 H new ATOM 1457 N VAL A 117 17.855 6.933 -0.044 1.00 10.00 N ATOM 1458 CA VAL A 117 16.719 6.302 0.617 1.00 10.00 C ATOM 1459 C VAL A 117 16.993 4.829 0.909 1.00 10.00 C ATOM 1460 O VAL A 117 17.449 4.085 0.043 1.00 10.00 O ATOM 1461 CB VAL A 117 15.433 6.420 -0.238 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.273 5.690 0.420 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.073 7.880 -0.479 1.00 10.00 C ATOM 0 H VAL A 117 18.193 6.438 -0.869 1.00 10.00 H new ATOM 0 HA VAL A 117 16.570 6.830 1.559 1.00 10.00 H new ATOM 0 HB VAL A 117 15.630 5.951 -1.202 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.382 5.788 -0.201 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.523 4.635 0.531 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.081 6.123 1.402 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.167 7.937 -1.082 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.905 8.376 0.477 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.890 8.374 -1.005 1.00 10.00 H new ATOM 1473 N SER A 118 16.735 4.419 2.140 1.00 10.00 N ATOM 1474 CA SER A 118 16.919 3.039 2.551 1.00 10.00 C ATOM 1475 C SER A 118 15.642 2.514 3.202 1.00 10.00 C ATOM 1476 O SER A 118 15.248 2.966 4.275 1.00 10.00 O ATOM 1477 CB SER A 118 18.105 2.931 3.510 1.00 10.00 C ATOM 1478 OG SER A 118 19.324 2.840 2.790 1.00 10.00 O ATOM 0 H SER A 118 16.393 5.032 2.880 1.00 10.00 H new ATOM 0 HA SER A 118 17.133 2.429 1.674 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.129 3.801 4.167 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.986 2.054 4.146 1.00 10.00 H new ATOM 0 HG SER A 118 20.018 2.461 3.369 1.00 10.00 H new ATOM 1484 N VAL A 119 14.983 1.583 2.529 1.00 10.00 N ATOM 1485 CA VAL A 119 13.751 1.001 3.039 1.00 10.00 C ATOM 1486 C VAL A 119 14.000 -0.382 3.625 1.00 10.00 C ATOM 1487 O VAL A 119 14.815 -1.153 3.113 1.00 10.00 O ATOM 1488 CB VAL A 119 12.670 0.890 1.944 1.00 10.00 C ATOM 1489 CG1 VAL A 119 12.024 2.238 1.684 1.00 10.00 C ATOM 1490 CG2 VAL A 119 13.257 0.336 0.659 1.00 10.00 C ATOM 0 H VAL A 119 15.282 1.214 1.626 1.00 10.00 H new ATOM 0 HA VAL A 119 13.393 1.672 3.820 1.00 10.00 H new ATOM 0 HB VAL A 119 11.904 0.201 2.301 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.265 2.134 0.908 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.559 2.601 2.600 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.783 2.948 1.356 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.476 0.267 -0.098 1.00 10.00 H new ATOM 0 HG22 VAL A 119 14.048 0.998 0.305 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.670 -0.655 0.845 1.00 10.00 H new ATOM 1500 N SER A 120 13.310 -0.684 4.709 1.00 10.00 N ATOM 1501 CA SER A 120 13.435 -1.973 5.371 1.00 10.00 C ATOM 1502 C SER A 120 12.122 -2.332 6.054 1.00 10.00 C ATOM 1503 O SER A 120 11.250 -1.477 6.216 1.00 10.00 O ATOM 1504 CB SER A 120 14.570 -1.931 6.398 1.00 10.00 C ATOM 1505 OG SER A 120 15.764 -1.439 5.813 1.00 10.00 O ATOM 0 H SER A 120 12.650 -0.047 5.155 1.00 10.00 H new ATOM 0 HA SER A 120 13.667 -2.734 4.626 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.283 -1.297 7.237 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.741 -2.930 6.798 1.00 10.00 H new ATOM 0 HG SER A 120 16.475 -1.419 6.487 1.00 10.00 H new ATOM 1511 N VAL A 121 11.974 -3.588 6.445 1.00 10.00 N ATOM 1512 CA VAL A 121 10.762 -4.030 7.110 1.00 10.00 C ATOM 1513 C VAL A 121 11.103 -4.556 8.495 1.00 10.00 C ATOM 1514 O VAL A 121 11.844 -5.526 8.630 1.00 10.00 O ATOM 1515 CB VAL A 121 10.032 -5.134 6.320 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.596 -5.280 6.803 1.00 10.00 C ATOM 1517 CG2 VAL A 121 10.088 -4.868 4.823 1.00 10.00 C ATOM 0 H VAL A 121 12.676 -4.316 6.313 1.00 10.00 H new ATOM 0 HA VAL A 121 10.097 -3.169 7.178 1.00 10.00 H new ATOM 0 HB VAL A 121 10.546 -6.078 6.503 1.00 10.00 H new ATOM 0 HG11 VAL A 121 8.098 -6.064 6.233 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.593 -5.543 7.861 1.00 10.00 H new ATOM 0 HG13 VAL A 121 8.067 -4.337 6.662 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.565 -5.663 4.292 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.612 -3.912 4.605 1.00 10.00 H new ATOM 0 HG23 VAL A 121 11.128 -4.838 4.498 1.00 10.00 H new ATOM 1527 N SER A 122 10.581 -3.909 9.518 1.00 10.00 N ATOM 1528 CA SER A 122 10.848 -4.320 10.882 1.00 10.00 C ATOM 1529 C SER A 122 9.563 -4.338 11.699 1.00 10.00 C ATOM 1530 O SER A 122 8.901 -3.308 11.839 1.00 10.00 O ATOM 1531 CB SER A 122 11.872 -3.378 11.515 1.00 10.00 C ATOM 1532 OG SER A 122 13.004 -3.220 10.674 1.00 10.00 O ATOM 0 H SER A 122 9.970 -3.097 9.431 1.00 10.00 H new ATOM 0 HA SER A 122 11.256 -5.331 10.871 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.413 -2.407 11.700 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.185 -3.772 12.482 1.00 10.00 H new ATOM 0 HG SER A 122 13.645 -2.612 11.099 1.00 10.00 H new ATOM 1538 N ALA A 123 9.209 -5.519 12.203 1.00 10.00 N ATOM 1539 CA ALA A 123 8.008 -5.708 13.020 1.00 10.00 C ATOM 1540 C ALA A 123 6.747 -5.445 12.211 1.00 10.00 C ATOM 1541 O ALA A 123 5.812 -4.790 12.680 1.00 10.00 O ATOM 1542 CB ALA A 123 8.045 -4.823 14.260 1.00 10.00 C ATOM 0 H ALA A 123 9.746 -6.374 12.057 1.00 10.00 H new ATOM 0 HA ALA A 123 7.990 -6.748 13.345 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.142 -4.983 14.848 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.919 -5.075 14.861 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.101 -3.777 13.959 1.00 10.00 H new ATOM 1548 N ASN A 124 6.740 -5.970 10.992 1.00 10.00 N ATOM 1549 CA ASN A 124 5.620 -5.817 10.067 1.00 10.00 C ATOM 1550 C ASN A 124 5.359 -4.345 9.780 1.00 10.00 C ATOM 1551 O ASN A 124 4.230 -3.928 9.513 1.00 10.00 O ATOM 1552 CB ASN A 124 4.355 -6.491 10.611 1.00 10.00 C ATOM 1553 CG ASN A 124 3.649 -7.319 9.550 1.00 10.00 C ATOM 1554 OD1 ASN A 124 4.277 -7.825 8.621 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.342 -7.461 9.678 1.00 10.00 N ATOM 0 H ASN A 124 7.514 -6.517 10.614 1.00 10.00 H new ATOM 0 HA ASN A 124 5.888 -6.311 9.133 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.619 -7.130 11.453 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.673 -5.730 10.990 1.00 10.00 H new ATOM 0 HD21 ASN A 124 1.819 -8.006 8.993 1.00 10.00 H new ATOM 0 HD22 ASN A 124 1.856 -7.026 10.462 1.00 10.00 H new ATOM 1562 N LYS A 125 6.418 -3.562 9.845 1.00 10.00 N ATOM 1563 CA LYS A 125 6.340 -2.145 9.583 1.00 10.00 C ATOM 1564 C LYS A 125 7.414 -1.767 8.586 1.00 10.00 C ATOM 1565 O LYS A 125 8.562 -2.192 8.710 1.00 10.00 O ATOM 1566 CB LYS A 125 6.524 -1.352 10.877 1.00 10.00 C ATOM 1567 CG LYS A 125 6.289 0.142 10.719 1.00 10.00 C ATOM 1568 CD LYS A 125 6.516 0.884 12.027 1.00 10.00 C ATOM 1569 CE LYS A 125 5.899 2.271 11.995 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.274 3.073 13.189 1.00 10.00 N ATOM 0 H LYS A 125 7.354 -3.893 10.081 1.00 10.00 H new ATOM 0 HA LYS A 125 5.358 -1.908 9.173 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.839 -1.740 11.631 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.535 -1.514 11.251 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.958 0.538 9.954 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.270 0.316 10.373 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.086 0.313 12.850 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.586 0.965 12.220 1.00 10.00 H new ATOM 0 HE2 LYS A 125 6.221 2.791 11.093 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.814 2.184 11.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.413 3.385 13.682 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 6.849 2.491 13.831 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.823 3.904 12.890 1.00 10.00 H new ATOM 1584 N LEU A 126 7.036 -0.992 7.592 1.00 10.00 N ATOM 1585 CA LEU A 126 7.973 -0.552 6.581 1.00 10.00 C ATOM 1586 C LEU A 126 8.628 0.724 7.050 1.00 10.00 C ATOM 1587 O LEU A 126 7.950 1.710 7.323 1.00 10.00 O ATOM 1588 CB LEU A 126 7.253 -0.310 5.257 1.00 10.00 C ATOM 1589 CG LEU A 126 6.635 -1.554 4.616 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.830 -1.173 3.382 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.715 -2.562 4.251 1.00 10.00 C ATOM 0 H LEU A 126 6.083 -0.653 7.462 1.00 10.00 H new ATOM 0 HA LEU A 126 8.728 -1.323 6.425 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.465 0.425 5.419 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.959 0.130 4.553 1.00 10.00 H new ATOM 0 HG LEU A 126 5.964 -2.014 5.341 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.397 -2.070 2.939 1.00 10.00 H new ATOM 0 HD12 LEU A 126 5.032 -0.487 3.666 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.484 -0.689 2.657 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.255 -3.440 3.797 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.411 -2.110 3.544 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.254 -2.860 5.151 1.00 10.00 H new ATOM 1603 N LEU A 127 9.936 0.710 7.144 1.00 10.00 N ATOM 1604 CA LEU A 127 10.659 1.874 7.605 1.00 10.00 C ATOM 1605 C LEU A 127 11.504 2.465 6.506 1.00 10.00 C ATOM 1606 O LEU A 127 12.419 1.825 5.992 1.00 10.00 O ATOM 1607 CB LEU A 127 11.537 1.535 8.803 1.00 10.00 C ATOM 1608 CG LEU A 127 10.854 1.713 10.153 1.00 10.00 C ATOM 1609 CD1 LEU A 127 10.864 0.412 10.930 1.00 10.00 C ATOM 1610 CD2 LEU A 127 11.527 2.819 10.945 1.00 10.00 C ATOM 0 H LEU A 127 10.521 -0.091 6.909 1.00 10.00 H new ATOM 0 HA LEU A 127 9.918 2.613 7.910 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.872 0.502 8.712 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.428 2.162 8.774 1.00 10.00 H new ATOM 0 HG LEU A 127 9.816 1.998 9.982 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.372 0.559 11.891 1.00 10.00 H new ATOM 0 HD12 LEU A 127 10.334 -0.354 10.364 1.00 10.00 H new ATOM 0 HD13 LEU A 127 11.894 0.094 11.094 1.00 10.00 H new ATOM 0 HD21 LEU A 127 11.027 2.934 11.907 1.00 10.00 H new ATOM 0 HD22 LEU A 127 12.574 2.564 11.108 1.00 10.00 H new ATOM 0 HD23 LEU A 127 11.464 3.755 10.389 1.00 10.00 H new ATOM 1622 N VAL A 128 11.168 3.676 6.132 1.00 10.00 N ATOM 1623 CA VAL A 128 11.908 4.382 5.117 1.00 10.00 C ATOM 1624 C VAL A 128 12.857 5.340 5.814 1.00 10.00 C ATOM 1625 O VAL A 128 12.414 6.251 6.511 1.00 10.00 O ATOM 1626 CB VAL A 128 10.968 5.183 4.197 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.672 5.565 2.909 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.699 4.397 3.909 1.00 10.00 C ATOM 0 H VAL A 128 10.380 4.195 6.520 1.00 10.00 H new ATOM 0 HA VAL A 128 12.450 3.664 4.502 1.00 10.00 H new ATOM 0 HB VAL A 128 10.688 6.101 4.713 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.989 6.130 2.275 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.544 6.177 3.139 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.990 4.663 2.387 1.00 10.00 H new ATOM 0 HG21 VAL A 128 9.049 4.981 3.257 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.956 3.458 3.418 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.181 4.187 4.845 1.00 10.00 H new ATOM 1638 N GLN A 129 14.151 5.150 5.626 1.00 10.00 N ATOM 1639 CA GLN A 129 15.132 5.997 6.278 1.00 10.00 C ATOM 1640 C GLN A 129 16.122 6.556 5.276 1.00 10.00 C ATOM 1641 O GLN A 129 16.659 5.828 4.443 1.00 10.00 O ATOM 1642 CB GLN A 129 15.874 5.206 7.355 1.00 10.00 C ATOM 1643 CG GLN A 129 14.985 4.757 8.504 1.00 10.00 C ATOM 1644 CD GLN A 129 15.611 3.656 9.336 1.00 10.00 C ATOM 1645 OE1 GLN A 129 16.372 2.833 8.829 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.299 3.634 10.621 1.00 10.00 N ATOM 0 H GLN A 129 14.545 4.421 5.031 1.00 10.00 H new ATOM 0 HA GLN A 129 14.605 6.832 6.741 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.333 4.329 6.898 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.683 5.819 7.751 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.768 5.612 9.145 1.00 10.00 H new ATOM 0 HG3 GLN A 129 14.033 4.408 8.105 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.664 4.334 11.004 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.694 2.917 11.229 1.00 10.00 H new ATOM 1655 N PRO A 130 16.361 7.864 5.334 1.00 10.00 N ATOM 1656 CA PRO A 130 17.306 8.523 4.446 1.00 10.00 C ATOM 1657 C PRO A 130 18.738 8.196 4.843 1.00 10.00 C ATOM 1658 O PRO A 130 19.072 8.167 6.029 1.00 10.00 O ATOM 1659 CB PRO A 130 17.010 10.008 4.650 1.00 10.00 C ATOM 1660 CG PRO A 130 16.456 10.097 6.030 1.00 10.00 C ATOM 1661 CD PRO A 130 15.728 8.804 6.275 1.00 10.00 C ATOM 0 HA PRO A 130 17.205 8.209 3.407 1.00 10.00 H new ATOM 0 HB2 PRO A 130 17.913 10.610 4.546 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.296 10.375 3.912 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.252 10.240 6.761 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.781 10.948 6.124 1.00 10.00 H new ATOM 0 HD2 PRO A 130 15.838 8.472 7.307 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.659 8.903 6.084 1.00 10.00 H new ATOM 1669 N VAL A 131 19.574 7.917 3.866 1.00 10.00 N ATOM 1670 CA VAL A 131 20.963 7.603 4.143 1.00 10.00 C ATOM 1671 C VAL A 131 21.855 8.761 3.730 1.00 10.00 C ATOM 1672 O VAL A 131 21.599 9.415 2.717 1.00 10.00 O ATOM 1673 CB VAL A 131 21.428 6.314 3.438 1.00 10.00 C ATOM 1674 CG1 VAL A 131 21.046 5.096 4.260 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.852 6.211 2.036 1.00 10.00 C ATOM 0 H VAL A 131 19.320 7.901 2.878 1.00 10.00 H new ATOM 0 HA VAL A 131 21.043 7.437 5.217 1.00 10.00 H new ATOM 0 HB VAL A 131 22.514 6.353 3.349 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.381 4.193 3.750 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.519 5.156 5.240 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.963 5.064 4.381 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.200 5.291 1.567 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.763 6.202 2.090 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.179 7.066 1.444 1.00 10.00 H new