USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 38 MET CE :methyl -170:sc= -0.0114 (180deg=-0.203) USER MOD Single : A 40 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 50 SER OG : rot 77:sc= 1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.7) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.0637 (180deg=-0.343) USER MOD Single : A 66 THR OG1 : rot 110:sc= -0.132 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 72 TYR OH : rot 30:sc= -0.68 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 76 MET CE :methyl 150:sc= -6.26! (180deg=-7.44!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.535 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 15.957 -1.696 6.632 1.00 0.00 N ATOM 525 CA GLU A 37 15.633 -0.588 7.523 1.00 0.00 C ATOM 526 C GLU A 37 14.581 0.323 6.897 1.00 0.00 C ATOM 527 O GLU A 37 13.492 0.498 7.444 1.00 0.00 O ATOM 528 CB GLU A 37 16.892 0.218 7.849 1.00 0.00 C ATOM 529 CG GLU A 37 17.808 -0.464 8.852 1.00 0.00 C ATOM 530 CD GLU A 37 17.262 -0.419 10.266 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.518 -1.347 10.645 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.579 0.546 10.993 1.00 0.00 O ATOM 0 HA GLU A 37 15.227 -1.003 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.446 0.399 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.599 1.192 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.955 -1.503 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.787 0.015 8.829 1.00 0.00 H new ATOM 539 N MET A 38 14.915 0.901 5.748 1.00 0.00 N ATOM 540 CA MET A 38 13.999 1.793 5.047 1.00 0.00 C ATOM 541 C MET A 38 12.606 1.178 4.952 1.00 0.00 C ATOM 542 O MET A 38 11.604 1.846 5.204 1.00 0.00 O ATOM 543 CB MET A 38 14.528 2.105 3.646 1.00 0.00 C ATOM 544 CG MET A 38 14.695 0.873 2.771 1.00 0.00 C ATOM 545 SD MET A 38 15.689 1.193 1.302 1.00 0.00 S ATOM 546 CE MET A 38 14.697 2.443 0.488 1.00 0.00 C ATOM 0 H MET A 38 15.813 0.768 5.283 1.00 0.00 H new ATOM 0 HA MET A 38 13.929 2.720 5.616 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.846 2.799 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.489 2.611 3.734 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.161 0.079 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.712 0.512 2.468 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.083 2.616 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.663 2.104 0.426 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.741 3.371 1.059 1.00 0.00 H new ATOM 556 N ARG A 39 12.552 -0.099 4.586 1.00 0.00 N ATOM 557 CA ARG A 39 11.282 -0.803 4.456 1.00 0.00 C ATOM 558 C ARG A 39 10.565 -0.883 5.800 1.00 0.00 C ATOM 559 O ARG A 39 9.397 -0.514 5.914 1.00 0.00 O ATOM 560 CB ARG A 39 11.510 -2.212 3.903 1.00 0.00 C ATOM 561 CG ARG A 39 12.220 -3.140 4.876 1.00 0.00 C ATOM 562 CD ARG A 39 12.555 -4.474 4.228 1.00 0.00 C ATOM 563 NE ARG A 39 12.780 -5.523 5.219 1.00 0.00 N ATOM 564 CZ ARG A 39 11.832 -5.988 6.025 1.00 0.00 C ATOM 565 NH1 ARG A 39 10.601 -5.501 5.956 1.00 0.00 N ATOM 566 NH2 ARG A 39 12.115 -6.944 6.901 1.00 0.00 N ATOM 0 H ARG A 39 13.373 -0.667 4.374 1.00 0.00 H new ATOM 0 HA ARG A 39 10.655 -0.244 3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.548 -2.648 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.096 -2.143 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.135 -2.666 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.589 -3.306 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.741 -4.770 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.445 -4.363 3.609 1.00 0.00 H new ATOM 0 HE ARG A 39 13.716 -5.920 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.380 -4.767 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.875 -5.860 6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.061 -7.322 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.387 -7.301 7.520 1.00 0.00 H new ATOM 580 N ASN A 40 11.273 -1.367 6.815 1.00 0.00 N ATOM 581 CA ASN A 40 10.703 -1.496 8.152 1.00 0.00 C ATOM 582 C ASN A 40 9.809 -0.304 8.479 1.00 0.00 C ATOM 583 O ASN A 40 8.679 -0.470 8.937 1.00 0.00 O ATOM 584 CB ASN A 40 11.817 -1.615 9.194 1.00 0.00 C ATOM 585 CG ASN A 40 12.341 -3.032 9.321 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.804 -3.961 8.717 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.395 -3.205 10.110 1.00 0.00 N ATOM 0 H ASN A 40 12.242 -1.676 6.738 1.00 0.00 H new ATOM 0 HA ASN A 40 10.095 -2.400 8.176 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.637 -0.950 8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.443 -1.281 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.791 -4.137 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.808 -2.406 10.591 1.00 0.00 H new ATOM 594 N SER A 41 10.325 0.898 8.241 1.00 0.00 N ATOM 595 CA SER A 41 9.575 2.119 8.514 1.00 0.00 C ATOM 596 C SER A 41 8.432 2.288 7.518 1.00 0.00 C ATOM 597 O SER A 41 7.268 2.397 7.905 1.00 0.00 O ATOM 598 CB SER A 41 10.501 3.335 8.456 1.00 0.00 C ATOM 599 OG SER A 41 11.434 3.317 9.524 1.00 0.00 O ATOM 0 H SER A 41 11.259 1.052 7.860 1.00 0.00 H new ATOM 0 HA SER A 41 9.153 2.041 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.033 3.346 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.909 4.249 8.501 1.00 0.00 H new ATOM 0 HG SER A 41 12.015 4.104 9.464 1.00 0.00 H new ATOM 605 N ILE A 42 8.773 2.310 6.234 1.00 0.00 N ATOM 606 CA ILE A 42 7.777 2.465 5.181 1.00 0.00 C ATOM 607 C ILE A 42 6.616 1.495 5.376 1.00 0.00 C ATOM 608 O ILE A 42 5.497 1.750 4.929 1.00 0.00 O ATOM 609 CB ILE A 42 8.391 2.240 3.787 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.464 3.293 3.502 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.307 2.278 2.719 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.496 2.846 2.491 1.00 0.00 C ATOM 0 H ILE A 42 9.732 2.222 5.898 1.00 0.00 H new ATOM 0 HA ILE A 42 7.407 3.488 5.245 1.00 0.00 H new ATOM 0 HB ILE A 42 8.860 1.256 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.983 4.202 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.968 3.548 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.756 2.117 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.575 1.495 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.813 3.249 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.225 3.642 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.004 1.955 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.004 2.618 1.545 1.00 0.00 H new ATOM 624 N LEU A 43 6.889 0.382 6.047 1.00 0.00 N ATOM 625 CA LEU A 43 5.867 -0.627 6.304 1.00 0.00 C ATOM 626 C LEU A 43 4.942 -0.190 7.435 1.00 0.00 C ATOM 627 O LEU A 43 3.721 -0.307 7.331 1.00 0.00 O ATOM 628 CB LEU A 43 6.520 -1.966 6.653 1.00 0.00 C ATOM 629 CG LEU A 43 7.319 -2.635 5.533 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.255 -3.690 6.102 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.382 -3.251 4.504 1.00 0.00 C ATOM 0 H LEU A 43 7.810 0.155 6.423 1.00 0.00 H new ATOM 0 HA LEU A 43 5.272 -0.745 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.184 -1.813 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.740 -2.655 6.977 1.00 0.00 H new ATOM 0 HG LEU A 43 7.921 -1.873 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.815 -4.155 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.949 -3.222 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.673 -4.450 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.968 -3.722 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.754 -4.000 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.753 -2.472 4.073 1.00 0.00 H new ATOM 643 N ALA A 44 5.532 0.316 8.513 1.00 0.00 N ATOM 644 CA ALA A 44 4.760 0.775 9.661 1.00 0.00 C ATOM 645 C ALA A 44 3.886 1.970 9.293 1.00 0.00 C ATOM 646 O ALA A 44 3.009 2.367 10.059 1.00 0.00 O ATOM 647 CB ALA A 44 5.689 1.133 10.812 1.00 0.00 C ATOM 0 H ALA A 44 6.542 0.418 8.615 1.00 0.00 H new ATOM 0 HA ALA A 44 4.105 -0.038 9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.099 1.474 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.267 0.255 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.367 1.927 10.499 1.00 0.00 H new ATOM 653 N GLN A 45 4.133 2.537 8.117 1.00 0.00 N ATOM 654 CA GLN A 45 3.368 3.688 7.650 1.00 0.00 C ATOM 655 C GLN A 45 2.231 3.249 6.733 1.00 0.00 C ATOM 656 O GLN A 45 1.200 3.915 6.643 1.00 0.00 O ATOM 657 CB GLN A 45 4.282 4.670 6.915 1.00 0.00 C ATOM 658 CG GLN A 45 5.438 5.177 7.763 1.00 0.00 C ATOM 659 CD GLN A 45 5.921 6.547 7.332 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.815 7.519 8.080 1.00 0.00 O ATOM 661 NE2 GLN A 45 6.455 6.632 6.119 1.00 0.00 N ATOM 0 H GLN A 45 4.855 2.219 7.471 1.00 0.00 H new ATOM 0 HA GLN A 45 2.938 4.185 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.681 4.185 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.690 5.521 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.127 5.217 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.265 4.469 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.523 5.800 5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.797 7.529 5.774 1.00 0.00 H new ATOM 670 N VAL A 46 2.427 2.125 6.052 1.00 0.00 N ATOM 671 CA VAL A 46 1.418 1.596 5.141 1.00 0.00 C ATOM 672 C VAL A 46 0.588 0.509 5.813 1.00 0.00 C ATOM 673 O VAL A 46 -0.465 0.115 5.308 1.00 0.00 O ATOM 674 CB VAL A 46 2.059 1.022 3.864 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.020 2.029 3.250 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.770 -0.288 4.168 1.00 0.00 C ATOM 0 H VAL A 46 3.276 1.562 6.114 1.00 0.00 H new ATOM 0 HA VAL A 46 0.770 2.429 4.869 1.00 0.00 H new ATOM 0 HB VAL A 46 1.269 0.821 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.463 1.606 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.478 2.940 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.808 2.264 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.217 -0.680 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.551 -0.115 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.052 -1.009 4.559 1.00 0.00 H new ATOM 686 N LEU A 47 1.067 0.026 6.954 1.00 0.00 N ATOM 687 CA LEU A 47 0.368 -1.017 7.697 1.00 0.00 C ATOM 688 C LEU A 47 -0.082 -0.506 9.062 1.00 0.00 C ATOM 689 O LEU A 47 0.560 0.364 9.652 1.00 0.00 O ATOM 690 CB LEU A 47 1.272 -2.239 7.870 1.00 0.00 C ATOM 691 CG LEU A 47 1.636 -2.992 6.590 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.361 -4.287 6.920 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.389 -3.273 5.764 1.00 0.00 C ATOM 0 H LEU A 47 1.937 0.340 7.385 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.516 -1.304 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.195 -1.918 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.781 -2.935 8.550 1.00 0.00 H new ATOM 0 HG LEU A 47 2.305 -2.365 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.612 -4.809 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.275 -4.062 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.717 -4.919 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.667 -3.809 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.304 -3.880 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.090 -2.331 5.496 1.00 0.00 H new ATOM 705 N ASP A 48 -1.186 -1.052 9.557 1.00 0.00 N ATOM 706 CA ASP A 48 -1.721 -0.654 10.854 1.00 0.00 C ATOM 707 C ASP A 48 -1.291 -1.632 11.943 1.00 0.00 C ATOM 708 O ASP A 48 -1.154 -2.830 11.695 1.00 0.00 O ATOM 709 CB ASP A 48 -3.247 -0.573 10.798 1.00 0.00 C ATOM 710 CG ASP A 48 -3.868 -0.390 12.169 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.643 0.672 12.786 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.580 -1.309 12.624 1.00 0.00 O ATOM 0 H ASP A 48 -1.729 -1.772 9.080 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.322 0.331 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.540 0.257 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.640 -1.482 10.343 1.00 0.00 H new ATOM 717 N GLN A 49 -1.078 -1.113 13.148 1.00 0.00 N ATOM 718 CA GLN A 49 -0.662 -1.941 14.274 1.00 0.00 C ATOM 719 C GLN A 49 -1.330 -3.311 14.218 1.00 0.00 C ATOM 720 O GLN A 49 -0.743 -4.316 14.619 1.00 0.00 O ATOM 721 CB GLN A 49 -1.000 -1.249 15.595 1.00 0.00 C ATOM 722 CG GLN A 49 -0.570 -2.037 16.822 1.00 0.00 C ATOM 723 CD GLN A 49 -1.639 -2.999 17.302 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.748 -3.028 16.769 1.00 0.00 O ATOM 725 NE2 GLN A 49 -1.310 -3.792 18.315 1.00 0.00 N ATOM 0 H GLN A 49 -1.187 -0.123 13.370 1.00 0.00 H new ATOM 0 HA GLN A 49 0.417 -2.081 14.211 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.521 -0.270 15.616 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.076 -1.078 15.641 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.338 -2.594 16.591 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.323 -1.344 17.626 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.379 -3.734 18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.989 -4.459 18.682 1.00 0.00 H new ATOM 734 N SER A 50 -2.562 -3.343 13.719 1.00 0.00 N ATOM 735 CA SER A 50 -3.312 -4.590 13.615 1.00 0.00 C ATOM 736 C SER A 50 -2.675 -5.523 12.589 1.00 0.00 C ATOM 737 O SER A 50 -2.246 -6.628 12.921 1.00 0.00 O ATOM 738 CB SER A 50 -4.764 -4.305 13.229 1.00 0.00 C ATOM 739 OG SER A 50 -5.336 -3.327 14.080 1.00 0.00 O ATOM 0 H SER A 50 -3.062 -2.521 13.381 1.00 0.00 H new ATOM 0 HA SER A 50 -3.291 -5.080 14.588 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.808 -3.962 12.195 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.346 -5.225 13.285 1.00 0.00 H new ATOM 0 HG SER A 50 -5.009 -2.439 13.824 1.00 0.00 H new ATOM 745 N ALA A 51 -2.617 -5.070 11.341 1.00 0.00 N ATOM 746 CA ALA A 51 -2.032 -5.862 10.267 1.00 0.00 C ATOM 747 C ALA A 51 -0.604 -6.276 10.606 1.00 0.00 C ATOM 748 O ALA A 51 -0.212 -7.423 10.390 1.00 0.00 O ATOM 749 CB ALA A 51 -2.061 -5.083 8.960 1.00 0.00 C ATOM 0 H ALA A 51 -2.968 -4.158 11.049 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.628 -6.767 10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.621 -5.687 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.092 -4.842 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.491 -4.161 9.073 1.00 0.00 H new ATOM 755 N ARG A 52 0.170 -5.335 11.137 1.00 0.00 N ATOM 756 CA ARG A 52 1.555 -5.602 11.504 1.00 0.00 C ATOM 757 C ARG A 52 1.682 -6.953 12.202 1.00 0.00 C ATOM 758 O ARG A 52 2.401 -7.838 11.739 1.00 0.00 O ATOM 759 CB ARG A 52 2.087 -4.494 12.414 1.00 0.00 C ATOM 760 CG ARG A 52 2.235 -3.151 11.716 1.00 0.00 C ATOM 761 CD ARG A 52 3.372 -3.170 10.707 1.00 0.00 C ATOM 762 NE ARG A 52 4.680 -3.111 11.355 1.00 0.00 N ATOM 763 CZ ARG A 52 5.360 -4.186 11.736 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.859 -5.397 11.535 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.544 -4.052 12.320 1.00 0.00 N ATOM 0 H ARG A 52 -0.139 -4.381 11.323 1.00 0.00 H new ATOM 0 HA ARG A 52 2.148 -5.628 10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.415 -4.380 13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.056 -4.796 12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.303 -2.898 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.418 -2.373 12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.307 -4.076 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.266 -2.326 10.026 1.00 0.00 H new ATOM 0 HE ARG A 52 5.093 -2.194 11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.949 -5.505 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.383 -6.221 11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.933 -3.122 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.065 -4.879 12.612 1.00 0.00 H new ATOM 779 N ALA A 53 0.979 -7.103 13.320 1.00 0.00 N ATOM 780 CA ALA A 53 1.012 -8.346 14.082 1.00 0.00 C ATOM 781 C ALA A 53 0.767 -9.550 13.178 1.00 0.00 C ATOM 782 O ALA A 53 1.616 -10.434 13.062 1.00 0.00 O ATOM 783 CB ALA A 53 -0.018 -8.306 15.201 1.00 0.00 C ATOM 0 H ALA A 53 0.380 -6.380 13.718 1.00 0.00 H new ATOM 0 HA ALA A 53 2.005 -8.449 14.520 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.017 -9.240 15.762 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.202 -7.473 15.869 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.013 -8.176 14.775 1.00 0.00 H new ATOM 789 N ARG A 54 -0.400 -9.578 12.541 1.00 0.00 N ATOM 790 CA ARG A 54 -0.757 -10.675 11.650 1.00 0.00 C ATOM 791 C ARG A 54 0.412 -11.037 10.737 1.00 0.00 C ATOM 792 O ARG A 54 0.730 -12.213 10.555 1.00 0.00 O ATOM 793 CB ARG A 54 -1.978 -10.300 10.808 1.00 0.00 C ATOM 794 CG ARG A 54 -2.311 -11.318 9.731 1.00 0.00 C ATOM 795 CD ARG A 54 -3.242 -12.400 10.256 1.00 0.00 C ATOM 796 NE ARG A 54 -3.270 -13.570 9.382 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.801 -14.736 9.731 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.346 -14.887 10.930 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.788 -15.754 8.880 1.00 0.00 N ATOM 0 H ARG A 54 -1.113 -8.854 12.626 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.999 -11.543 12.263 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.840 -10.184 11.465 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.802 -9.332 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.778 -10.814 8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.392 -11.774 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.922 -12.701 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.250 -11.996 10.353 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.859 -13.487 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.358 -14.107 11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.753 -15.784 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.370 -15.641 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.196 -16.649 9.149 1.00 0.00 H new ATOM 813 N LEU A 55 1.047 -10.019 10.167 1.00 0.00 N ATOM 814 CA LEU A 55 2.180 -10.229 9.273 1.00 0.00 C ATOM 815 C LEU A 55 3.377 -10.790 10.033 1.00 0.00 C ATOM 816 O LEU A 55 3.743 -11.953 9.864 1.00 0.00 O ATOM 817 CB LEU A 55 2.566 -8.916 8.589 1.00 0.00 C ATOM 818 CG LEU A 55 3.779 -8.974 7.661 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.357 -9.364 6.253 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.506 -7.637 7.650 1.00 0.00 C ATOM 0 H LEU A 55 0.797 -9.040 10.308 1.00 0.00 H new ATOM 0 HA LEU A 55 1.883 -10.953 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.710 -8.564 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.759 -8.171 9.361 1.00 0.00 H new ATOM 0 HG LEU A 55 4.463 -9.735 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.234 -9.400 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.882 -10.345 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.652 -8.627 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.367 -7.696 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.829 -6.858 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.843 -7.398 8.659 1.00 0.00 H new ATOM 832 N SER A 56 3.982 -9.956 10.873 1.00 0.00 N ATOM 833 CA SER A 56 5.139 -10.368 11.659 1.00 0.00 C ATOM 834 C SER A 56 5.003 -11.820 12.105 1.00 0.00 C ATOM 835 O SER A 56 5.961 -12.590 12.050 1.00 0.00 O ATOM 836 CB SER A 56 5.302 -9.460 12.880 1.00 0.00 C ATOM 837 OG SER A 56 6.664 -9.352 13.257 1.00 0.00 O ATOM 0 H SER A 56 3.690 -8.991 11.027 1.00 0.00 H new ATOM 0 HA SER A 56 6.025 -10.281 11.030 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.904 -8.470 12.657 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.721 -9.857 13.713 1.00 0.00 H new ATOM 0 HG SER A 56 6.742 -8.765 14.038 1.00 0.00 H new ATOM 843 N ASN A 57 3.805 -12.187 12.549 1.00 0.00 N ATOM 844 CA ASN A 57 3.543 -13.547 13.006 1.00 0.00 C ATOM 845 C ASN A 57 4.107 -14.569 12.024 1.00 0.00 C ATOM 846 O ASN A 57 4.859 -15.466 12.409 1.00 0.00 O ATOM 847 CB ASN A 57 2.039 -13.767 13.180 1.00 0.00 C ATOM 848 CG ASN A 57 1.727 -14.854 14.190 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.625 -15.540 14.678 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.448 -15.016 14.509 1.00 0.00 N ATOM 0 H ASN A 57 3.001 -11.562 12.602 1.00 0.00 H new ATOM 0 HA ASN A 57 4.038 -13.682 13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.573 -12.835 13.498 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.600 -14.031 12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.177 -15.732 15.183 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.264 -14.425 14.080 1.00 0.00 H new ATOM 857 N LEU A 58 3.741 -14.427 10.755 1.00 0.00 N ATOM 858 CA LEU A 58 4.211 -15.338 9.717 1.00 0.00 C ATOM 859 C LEU A 58 5.734 -15.328 9.633 1.00 0.00 C ATOM 860 O LEU A 58 6.355 -16.345 9.327 1.00 0.00 O ATOM 861 CB LEU A 58 3.612 -14.952 8.363 1.00 0.00 C ATOM 862 CG LEU A 58 3.445 -16.090 7.355 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.379 -17.068 7.824 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.096 -15.537 5.980 1.00 0.00 C ATOM 0 H LEU A 58 3.120 -13.690 10.420 1.00 0.00 H new ATOM 0 HA LEU A 58 3.886 -16.345 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.635 -14.500 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.243 -14.185 7.914 1.00 0.00 H new ATOM 0 HG LEU A 58 4.392 -16.625 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.275 -17.870 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.670 -17.489 8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.428 -16.547 7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.981 -16.360 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.163 -14.977 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.894 -14.877 5.640 1.00 0.00 H new ATOM 876 N ALA A 59 6.329 -14.173 9.909 1.00 0.00 N ATOM 877 CA ALA A 59 7.779 -14.032 9.869 1.00 0.00 C ATOM 878 C ALA A 59 8.461 -15.138 10.667 1.00 0.00 C ATOM 879 O ALA A 59 9.530 -15.621 10.290 1.00 0.00 O ATOM 880 CB ALA A 59 8.192 -12.666 10.399 1.00 0.00 C ATOM 0 H ALA A 59 5.829 -13.321 10.163 1.00 0.00 H new ATOM 0 HA ALA A 59 8.098 -14.119 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.278 -12.575 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.742 -11.886 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.853 -12.558 11.429 1.00 0.00 H new ATOM 886 N LEU A 60 7.837 -15.536 11.770 1.00 0.00 N ATOM 887 CA LEU A 60 8.384 -16.586 12.622 1.00 0.00 C ATOM 888 C LEU A 60 8.317 -17.942 11.926 1.00 0.00 C ATOM 889 O LEU A 60 9.337 -18.486 11.505 1.00 0.00 O ATOM 890 CB LEU A 60 7.623 -16.642 13.948 1.00 0.00 C ATOM 891 CG LEU A 60 7.571 -15.340 14.747 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.372 -15.336 15.683 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.861 -15.142 15.530 1.00 0.00 C ATOM 0 H LEU A 60 6.952 -15.147 12.095 1.00 0.00 H new ATOM 0 HA LEU A 60 9.430 -16.351 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.601 -16.961 13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.078 -17.410 14.573 1.00 0.00 H new ATOM 0 HG LEU A 60 7.463 -14.511 14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.351 -14.401 16.244 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.455 -15.430 15.101 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.449 -16.173 16.376 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.806 -14.210 16.093 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.999 -15.975 16.220 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.703 -15.099 14.839 1.00 0.00 H new ATOM 905 N VAL A 61 7.108 -18.481 11.807 1.00 0.00 N ATOM 906 CA VAL A 61 6.906 -19.771 11.159 1.00 0.00 C ATOM 907 C VAL A 61 7.703 -19.865 9.863 1.00 0.00 C ATOM 908 O VAL A 61 8.562 -20.734 9.710 1.00 0.00 O ATOM 909 CB VAL A 61 5.417 -20.020 10.853 1.00 0.00 C ATOM 910 CG1 VAL A 61 4.679 -20.452 12.111 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.782 -18.775 10.254 1.00 0.00 C ATOM 0 H VAL A 61 6.253 -18.044 12.151 1.00 0.00 H new ATOM 0 HA VAL A 61 7.257 -20.533 11.855 1.00 0.00 H new ATOM 0 HB VAL A 61 5.343 -20.825 10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.629 -20.623 11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.120 -21.372 12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.759 -19.670 12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.730 -18.968 10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.865 -17.949 10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.295 -18.514 9.328 1.00 0.00 H new ATOM 921 N LYS A 62 7.412 -18.965 8.930 1.00 0.00 N ATOM 922 CA LYS A 62 8.102 -18.944 7.645 1.00 0.00 C ATOM 923 C LYS A 62 8.337 -17.511 7.178 1.00 0.00 C ATOM 924 O LYS A 62 7.407 -16.789 6.817 1.00 0.00 O ATOM 925 CB LYS A 62 7.291 -19.707 6.595 1.00 0.00 C ATOM 926 CG LYS A 62 5.789 -19.619 6.804 1.00 0.00 C ATOM 927 CD LYS A 62 5.031 -20.373 5.725 1.00 0.00 C ATOM 928 CE LYS A 62 3.617 -20.712 6.170 1.00 0.00 C ATOM 929 NZ LYS A 62 2.693 -20.870 5.012 1.00 0.00 N ATOM 0 H LYS A 62 6.703 -18.240 9.039 1.00 0.00 H new ATOM 0 HA LYS A 62 9.069 -19.430 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.535 -19.318 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.590 -20.755 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.532 -20.026 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.481 -18.573 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.993 -19.771 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.565 -21.290 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.631 -21.634 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.245 -19.926 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.740 -21.101 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.660 -19.983 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.034 -21.637 4.398 1.00 0.00 H new ATOM 943 N PRO A 63 9.610 -17.087 7.182 1.00 0.00 N ATOM 944 CA PRO A 63 9.996 -15.738 6.759 1.00 0.00 C ATOM 945 C PRO A 63 9.830 -15.531 5.258 1.00 0.00 C ATOM 946 O PRO A 63 9.329 -14.497 4.817 1.00 0.00 O ATOM 947 CB PRO A 63 11.474 -15.654 7.150 1.00 0.00 C ATOM 948 CG PRO A 63 11.945 -17.067 7.157 1.00 0.00 C ATOM 949 CD PRO A 63 10.769 -17.894 7.599 1.00 0.00 C ATOM 0 HA PRO A 63 9.374 -14.972 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.038 -15.052 6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.599 -15.190 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.285 -17.370 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.788 -17.194 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.767 -18.876 7.125 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.777 -18.060 8.676 1.00 0.00 H new ATOM 957 N GLU A 64 10.253 -16.521 4.478 1.00 0.00 N ATOM 958 CA GLU A 64 10.150 -16.446 3.025 1.00 0.00 C ATOM 959 C GLU A 64 8.837 -15.790 2.606 1.00 0.00 C ATOM 960 O GLU A 64 8.818 -14.642 2.160 1.00 0.00 O ATOM 961 CB GLU A 64 10.253 -17.843 2.411 1.00 0.00 C ATOM 962 CG GLU A 64 11.587 -18.523 2.666 1.00 0.00 C ATOM 963 CD GLU A 64 12.666 -18.072 1.700 1.00 0.00 C ATOM 964 OE1 GLU A 64 12.395 -18.045 0.480 1.00 0.00 O ATOM 965 OE2 GLU A 64 13.779 -17.747 2.162 1.00 0.00 O ATOM 0 H GLU A 64 10.670 -17.384 4.828 1.00 0.00 H new ATOM 0 HA GLU A 64 10.975 -15.835 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.454 -18.467 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.091 -17.771 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.908 -18.314 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.461 -19.603 2.586 1.00 0.00 H new ATOM 972 N LYS A 65 7.741 -16.526 2.752 1.00 0.00 N ATOM 973 CA LYS A 65 6.423 -16.018 2.391 1.00 0.00 C ATOM 974 C LYS A 65 6.321 -14.522 2.671 1.00 0.00 C ATOM 975 O LYS A 65 6.250 -13.710 1.748 1.00 0.00 O ATOM 976 CB LYS A 65 5.335 -16.768 3.163 1.00 0.00 C ATOM 977 CG LYS A 65 4.029 -16.902 2.398 1.00 0.00 C ATOM 978 CD LYS A 65 3.376 -15.549 2.170 1.00 0.00 C ATOM 979 CE LYS A 65 3.745 -14.974 0.811 1.00 0.00 C ATOM 980 NZ LYS A 65 3.137 -15.751 -0.304 1.00 0.00 N ATOM 0 H LYS A 65 7.739 -17.478 3.118 1.00 0.00 H new ATOM 0 HA LYS A 65 6.279 -16.180 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.701 -17.763 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.145 -16.249 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.216 -17.383 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.347 -17.548 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.293 -15.650 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.685 -14.858 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.414 -13.937 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.829 -14.969 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.070 -15.150 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.730 -16.579 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.186 -16.068 -0.028 1.00 0.00 H new ATOM 994 N THR A 66 6.315 -14.164 3.951 1.00 0.00 N ATOM 995 CA THR A 66 6.221 -12.766 4.353 1.00 0.00 C ATOM 996 C THR A 66 7.144 -11.890 3.514 1.00 0.00 C ATOM 997 O THR A 66 6.726 -10.862 2.981 1.00 0.00 O ATOM 998 CB THR A 66 6.574 -12.585 5.842 1.00 0.00 C ATOM 999 OG1 THR A 66 6.210 -13.758 6.578 1.00 0.00 O ATOM 1000 CG2 THR A 66 5.861 -11.373 6.423 1.00 0.00 C ATOM 0 H THR A 66 6.374 -14.823 4.727 1.00 0.00 H new ATOM 0 HA THR A 66 5.188 -12.459 4.192 1.00 0.00 H new ATOM 0 HB THR A 66 7.650 -12.427 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.020 -14.229 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.125 -11.265 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.163 -10.478 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.783 -11.507 6.332 1.00 0.00 H new ATOM 1008 N LYS A 67 8.402 -12.303 3.399 1.00 0.00 N ATOM 1009 CA LYS A 67 9.385 -11.558 2.622 1.00 0.00 C ATOM 1010 C LYS A 67 8.751 -10.966 1.367 1.00 0.00 C ATOM 1011 O LYS A 67 8.999 -9.811 1.020 1.00 0.00 O ATOM 1012 CB LYS A 67 10.555 -12.465 2.236 1.00 0.00 C ATOM 1013 CG LYS A 67 11.869 -11.723 2.063 1.00 0.00 C ATOM 1014 CD LYS A 67 13.059 -12.618 2.368 1.00 0.00 C ATOM 1015 CE LYS A 67 13.400 -12.607 3.850 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.306 -13.729 4.219 1.00 0.00 N ATOM 0 H LYS A 67 8.765 -13.151 3.835 1.00 0.00 H new ATOM 0 HA LYS A 67 9.756 -10.741 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.678 -13.231 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.313 -12.980 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.945 -11.350 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.887 -10.855 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.839 -13.638 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.923 -12.285 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.873 -11.659 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.482 -12.674 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.515 -13.686 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.845 -14.635 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.192 -13.651 3.680 1.00 0.00 H new ATOM 1030 N ALA A 68 7.931 -11.763 0.691 1.00 0.00 N ATOM 1031 CA ALA A 68 7.259 -11.317 -0.523 1.00 0.00 C ATOM 1032 C ALA A 68 6.220 -10.244 -0.212 1.00 0.00 C ATOM 1033 O ALA A 68 6.297 -9.126 -0.722 1.00 0.00 O ATOM 1034 CB ALA A 68 6.607 -12.496 -1.229 1.00 0.00 C ATOM 0 H ALA A 68 7.716 -12.722 0.964 1.00 0.00 H new ATOM 0 HA ALA A 68 8.008 -10.881 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.109 -12.148 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.369 -13.229 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.875 -12.957 -0.566 1.00 0.00 H new ATOM 1040 N VAL A 69 5.250 -10.591 0.627 1.00 0.00 N ATOM 1041 CA VAL A 69 4.196 -9.657 1.005 1.00 0.00 C ATOM 1042 C VAL A 69 4.776 -8.302 1.394 1.00 0.00 C ATOM 1043 O VAL A 69 4.389 -7.270 0.846 1.00 0.00 O ATOM 1044 CB VAL A 69 3.359 -10.201 2.178 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.140 -9.322 2.417 1.00 0.00 C ATOM 1046 CG2 VAL A 69 2.945 -11.641 1.915 1.00 0.00 C ATOM 0 H VAL A 69 5.172 -11.512 1.058 1.00 0.00 H new ATOM 0 HA VAL A 69 3.552 -9.536 0.134 1.00 0.00 H new ATOM 0 HB VAL A 69 3.973 -10.183 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.561 -9.722 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.463 -8.308 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.522 -9.305 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.354 -12.009 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.349 -11.688 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.835 -12.260 1.799 1.00 0.00 H new ATOM 1056 N GLU A 70 5.707 -8.313 2.343 1.00 0.00 N ATOM 1057 CA GLU A 70 6.341 -7.084 2.805 1.00 0.00 C ATOM 1058 C GLU A 70 6.767 -6.215 1.625 1.00 0.00 C ATOM 1059 O GLU A 70 6.381 -5.051 1.527 1.00 0.00 O ATOM 1060 CB GLU A 70 7.554 -7.406 3.680 1.00 0.00 C ATOM 1061 CG GLU A 70 7.192 -7.796 5.103 1.00 0.00 C ATOM 1062 CD GLU A 70 8.367 -8.376 5.866 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.245 -8.989 5.225 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.407 -8.217 7.104 1.00 0.00 O ATOM 0 H GLU A 70 6.039 -9.159 2.806 1.00 0.00 H new ATOM 0 HA GLU A 70 5.612 -6.531 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.117 -8.219 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.213 -6.538 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.817 -6.920 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.382 -8.525 5.081 1.00 0.00 H new ATOM 1071 N ASN A 71 7.567 -6.790 0.733 1.00 0.00 N ATOM 1072 CA ASN A 71 8.047 -6.068 -0.440 1.00 0.00 C ATOM 1073 C ASN A 71 6.881 -5.588 -1.299 1.00 0.00 C ATOM 1074 O ASN A 71 6.889 -4.464 -1.802 1.00 0.00 O ATOM 1075 CB ASN A 71 8.973 -6.960 -1.270 1.00 0.00 C ATOM 1076 CG ASN A 71 10.425 -6.836 -0.850 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.240 -6.251 -1.562 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.754 -7.388 0.312 1.00 0.00 N ATOM 0 H ASN A 71 7.896 -7.753 0.800 1.00 0.00 H new ATOM 0 HA ASN A 71 8.604 -5.197 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.657 -7.998 -1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.879 -6.696 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.716 -7.337 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.045 -7.863 0.870 1.00 0.00 H new ATOM 1085 N TYR A 72 5.880 -6.446 -1.461 1.00 0.00 N ATOM 1086 CA TYR A 72 4.708 -6.110 -2.260 1.00 0.00 C ATOM 1087 C TYR A 72 4.095 -4.791 -1.801 1.00 0.00 C ATOM 1088 O TYR A 72 3.518 -4.050 -2.598 1.00 0.00 O ATOM 1089 CB TYR A 72 3.666 -7.227 -2.169 1.00 0.00 C ATOM 1090 CG TYR A 72 2.371 -6.906 -2.880 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.337 -6.724 -4.257 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.180 -6.786 -2.174 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.156 -6.430 -4.909 1.00 0.00 C ATOM 1094 CE2 TYR A 72 -0.006 -6.494 -2.818 1.00 0.00 C ATOM 1095 CZ TYR A 72 -0.013 -6.316 -4.186 1.00 0.00 C ATOM 1096 OH TYR A 72 -1.192 -6.024 -4.833 1.00 0.00 O ATOM 0 H TYR A 72 5.857 -7.379 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 72 5.026 -6.001 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.086 -8.140 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.454 -7.430 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.250 -6.814 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.182 -6.924 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.148 -6.290 -5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.923 -6.405 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.163 -6.384 -5.744 1.00 0.00 H new ATOM 1106 N LEU A 73 4.226 -4.502 -0.511 1.00 0.00 N ATOM 1107 CA LEU A 73 3.687 -3.271 0.057 1.00 0.00 C ATOM 1108 C LEU A 73 4.533 -2.068 -0.349 1.00 0.00 C ATOM 1109 O LEU A 73 4.031 -1.121 -0.955 1.00 0.00 O ATOM 1110 CB LEU A 73 3.625 -3.374 1.582 1.00 0.00 C ATOM 1111 CG LEU A 73 2.688 -4.444 2.145 1.00 0.00 C ATOM 1112 CD1 LEU A 73 3.051 -4.766 3.586 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.239 -3.990 2.046 1.00 0.00 C ATOM 0 H LEU A 73 4.701 -5.104 0.162 1.00 0.00 H new ATOM 0 HA LEU A 73 2.679 -3.131 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.631 -3.568 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.319 -2.406 1.979 1.00 0.00 H new ATOM 0 HG LEU A 73 2.804 -5.351 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.374 -5.529 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.076 -5.135 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.964 -3.865 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.587 -4.764 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.107 -3.069 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.984 -3.811 1.001 1.00 0.00 H new ATOM 1125 N ILE A 74 5.817 -2.114 -0.013 1.00 0.00 N ATOM 1126 CA ILE A 74 6.733 -1.030 -0.345 1.00 0.00 C ATOM 1127 C ILE A 74 6.433 -0.462 -1.728 1.00 0.00 C ATOM 1128 O ILE A 74 6.185 0.735 -1.877 1.00 0.00 O ATOM 1129 CB ILE A 74 8.200 -1.498 -0.303 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.672 -1.636 1.146 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.088 -0.527 -1.065 1.00 0.00 C ATOM 1132 CD1 ILE A 74 8.442 -3.014 1.728 1.00 0.00 C ATOM 0 H ILE A 74 6.247 -2.891 0.489 1.00 0.00 H new ATOM 0 HA ILE A 74 6.587 -0.253 0.405 1.00 0.00 H new ATOM 0 HB ILE A 74 8.269 -2.474 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.735 -1.402 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.153 -0.900 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.121 -0.872 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.762 -0.474 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.018 0.462 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.800 -3.039 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.377 -3.244 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.983 -3.753 1.137 1.00 0.00 H new ATOM 1144 N GLN A 75 6.455 -1.328 -2.736 1.00 0.00 N ATOM 1145 CA GLN A 75 6.184 -0.912 -4.107 1.00 0.00 C ATOM 1146 C GLN A 75 4.900 -0.093 -4.183 1.00 0.00 C ATOM 1147 O GLN A 75 4.874 0.985 -4.777 1.00 0.00 O ATOM 1148 CB GLN A 75 6.079 -2.133 -5.022 1.00 0.00 C ATOM 1149 CG GLN A 75 7.275 -3.067 -4.930 1.00 0.00 C ATOM 1150 CD GLN A 75 7.194 -4.218 -5.913 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.166 -4.427 -6.558 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.280 -4.972 -6.033 1.00 0.00 N ATOM 0 H GLN A 75 6.658 -2.322 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 75 7.012 -0.287 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.175 -2.688 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.970 -1.796 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.188 -2.501 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.344 -3.464 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.110 -4.762 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.284 -5.761 -6.680 1.00 0.00 H new ATOM 1161 N MET A 76 3.836 -0.611 -3.578 1.00 0.00 N ATOM 1162 CA MET A 76 2.549 0.073 -3.577 1.00 0.00 C ATOM 1163 C MET A 76 2.675 1.469 -2.974 1.00 0.00 C ATOM 1164 O MET A 76 1.975 2.396 -3.380 1.00 0.00 O ATOM 1165 CB MET A 76 1.515 -0.740 -2.796 1.00 0.00 C ATOM 1166 CG MET A 76 1.112 -2.034 -3.486 1.00 0.00 C ATOM 1167 SD MET A 76 -0.567 -2.546 -3.076 1.00 0.00 S ATOM 1168 CE MET A 76 -0.517 -2.471 -1.288 1.00 0.00 C ATOM 0 H MET A 76 3.840 -1.502 -3.082 1.00 0.00 H new ATOM 0 HA MET A 76 2.218 0.171 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.918 -0.974 -1.810 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.626 -0.129 -2.641 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.196 -1.907 -4.565 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.808 -2.824 -3.203 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.509 -2.230 -0.906 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.200 -3.436 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.189 -1.701 -0.976 1.00 0.00 H new ATOM 1178 N ALA A 77 3.572 1.610 -2.003 1.00 0.00 N ATOM 1179 CA ALA A 77 3.791 2.893 -1.346 1.00 0.00 C ATOM 1180 C ALA A 77 4.499 3.872 -2.276 1.00 0.00 C ATOM 1181 O ALA A 77 3.983 4.953 -2.564 1.00 0.00 O ATOM 1182 CB ALA A 77 4.594 2.701 -0.068 1.00 0.00 C ATOM 0 H ALA A 77 4.158 0.852 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 77 2.818 3.314 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.750 3.667 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.049 2.043 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.559 2.255 -0.308 1.00 0.00 H new ATOM 1188 N ARG A 78 5.682 3.488 -2.743 1.00 0.00 N ATOM 1189 CA ARG A 78 6.462 4.333 -3.638 1.00 0.00 C ATOM 1190 C ARG A 78 5.566 4.983 -4.689 1.00 0.00 C ATOM 1191 O ARG A 78 5.483 6.209 -4.777 1.00 0.00 O ATOM 1192 CB ARG A 78 7.557 3.514 -4.323 1.00 0.00 C ATOM 1193 CG ARG A 78 8.510 2.838 -3.351 1.00 0.00 C ATOM 1194 CD ARG A 78 9.346 1.772 -4.040 1.00 0.00 C ATOM 1195 NE ARG A 78 10.540 2.333 -4.666 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.494 1.594 -5.224 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.393 0.272 -5.233 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.550 2.178 -5.774 1.00 0.00 N ATOM 0 H ARG A 78 6.122 2.596 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 78 6.925 5.119 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.092 2.754 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.128 4.167 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.167 3.585 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.942 2.387 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.640 1.015 -3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.742 1.270 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 78 10.648 3.347 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.582 -0.180 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.126 -0.293 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.631 3.195 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.282 1.610 -6.202 1.00 0.00 H new ATOM 1212 N TYR A 79 4.898 4.154 -5.484 1.00 0.00 N ATOM 1213 CA TYR A 79 4.011 4.648 -6.530 1.00 0.00 C ATOM 1214 C TYR A 79 3.078 5.728 -5.990 1.00 0.00 C ATOM 1215 O TYR A 79 2.967 6.811 -6.562 1.00 0.00 O ATOM 1216 CB TYR A 79 3.191 3.498 -7.117 1.00 0.00 C ATOM 1217 CG TYR A 79 3.942 2.681 -8.144 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.052 1.927 -7.784 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.540 2.662 -9.474 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.742 1.180 -8.719 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.223 1.917 -10.416 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.323 1.178 -10.034 1.00 0.00 C ATOM 1223 OH TYR A 79 6.007 0.434 -10.968 1.00 0.00 O ATOM 0 H TYR A 79 4.954 3.137 -5.424 1.00 0.00 H new ATOM 0 HA TYR A 79 4.627 5.086 -7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.870 2.842 -6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.289 3.903 -7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.381 1.925 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.679 3.239 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.604 0.601 -8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.897 1.913 -11.446 1.00 0.00 H new ATOM 0 HH TYR A 79 5.583 0.540 -11.845 1.00 0.00 H new ATOM 1233 N GLY A 80 2.410 5.423 -4.881 1.00 0.00 N ATOM 1234 CA GLY A 80 1.496 6.377 -4.280 1.00 0.00 C ATOM 1235 C GLY A 80 0.045 5.972 -4.444 1.00 0.00 C ATOM 1236 O GLY A 80 -0.827 6.822 -4.618 1.00 0.00 O ATOM 0 H GLY A 80 2.486 4.533 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.725 6.476 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.650 7.357 -4.732 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.214 4.669 -4.390 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.570 4.153 -4.536 1.00 0.00 C ATOM 1242 C GLN A 81 -2.247 4.008 -3.177 1.00 0.00 C ATOM 1243 O GLN A 81 -3.396 4.413 -2.998 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.550 2.804 -5.256 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.992 2.875 -6.668 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.399 1.687 -7.517 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.542 1.591 -7.964 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.462 0.774 -7.746 1.00 0.00 N ATOM 0 H GLN A 81 0.497 3.952 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.141 4.866 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.955 2.100 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.565 2.408 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.337 3.793 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.096 2.928 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.473 0.894 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.677 -0.047 -8.312 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.528 3.428 -2.223 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.059 3.229 -0.879 1.00 0.00 C ATOM 1259 C LEU A 82 -2.625 4.530 -0.319 1.00 0.00 C ATOM 1260 O LEU A 82 -1.947 5.558 -0.303 1.00 0.00 O ATOM 1261 CB LEU A 82 -0.966 2.694 0.049 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.390 1.325 -0.313 1.00 0.00 C ATOM 1263 CD1 LEU A 82 1.026 1.183 0.222 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.279 0.213 0.225 1.00 0.00 C ATOM 0 H LEU A 82 -0.576 3.087 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.866 2.499 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.149 3.416 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.370 2.640 1.060 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.356 1.243 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.419 0.202 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.658 1.958 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.017 1.287 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.854 -0.754 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.345 0.293 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.276 0.303 -0.207 1.00 0.00 H new ATOM 1276 N SER A 83 -3.870 4.478 0.142 1.00 0.00 N ATOM 1277 CA SER A 83 -4.528 5.653 0.702 1.00 0.00 C ATOM 1278 C SER A 83 -4.386 5.683 2.221 1.00 0.00 C ATOM 1279 O SER A 83 -3.919 6.668 2.791 1.00 0.00 O ATOM 1280 CB SER A 83 -6.009 5.666 0.316 1.00 0.00 C ATOM 1281 OG SER A 83 -6.189 6.164 -0.998 1.00 0.00 O ATOM 0 H SER A 83 -4.444 3.635 0.139 1.00 0.00 H new ATOM 0 HA SER A 83 -4.045 6.540 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.415 4.657 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.567 6.282 1.021 1.00 0.00 H new ATOM 0 HG SER A 83 -7.143 6.161 -1.221 1.00 0.00 H new ATOM 1287 N GLU A 84 -4.794 4.595 2.868 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.713 4.498 4.321 1.00 0.00 C ATOM 1289 C GLU A 84 -3.919 3.263 4.740 1.00 0.00 C ATOM 1290 O GLU A 84 -3.543 2.440 3.905 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.116 4.446 4.930 1.00 0.00 C ATOM 1292 CG GLU A 84 -6.837 3.131 4.687 1.00 0.00 C ATOM 1293 CD GLU A 84 -7.357 3.004 3.269 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -7.556 4.048 2.613 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -7.565 1.860 2.814 1.00 0.00 O ATOM 0 H GLU A 84 -5.183 3.771 2.410 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.197 5.384 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.043 4.618 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.713 5.259 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.158 2.305 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.670 3.043 5.385 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.667 3.142 6.039 1.00 0.00 N ATOM 1303 CA LYS A 85 -2.919 2.009 6.571 1.00 0.00 C ATOM 1304 C LYS A 85 -3.714 0.715 6.423 1.00 0.00 C ATOM 1305 O LYS A 85 -4.821 0.591 6.947 1.00 0.00 O ATOM 1306 CB LYS A 85 -2.577 2.244 8.044 1.00 0.00 C ATOM 1307 CG LYS A 85 -1.659 3.432 8.272 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.425 3.680 9.753 1.00 0.00 C ATOM 1309 CE LYS A 85 -0.422 4.800 9.980 1.00 0.00 C ATOM 1310 NZ LYS A 85 -0.454 5.298 11.383 1.00 0.00 N ATOM 0 H LYS A 85 -3.970 3.815 6.743 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.995 1.915 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.500 2.396 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.105 1.348 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.704 3.256 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.094 4.322 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.370 3.933 10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.063 2.766 10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.580 4.443 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.636 5.623 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.244 6.061 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.403 5.662 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.225 4.519 12.033 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.140 -0.248 5.707 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.794 -1.533 5.493 1.00 0.00 C ATOM 1326 C VAL A 86 -4.262 -2.138 6.812 1.00 0.00 C ATOM 1327 O VAL A 86 -3.534 -2.127 7.804 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.854 -2.530 4.788 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.484 -3.913 4.738 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.511 -2.040 3.390 1.00 0.00 C ATOM 0 H VAL A 86 -2.224 -0.162 5.266 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.658 -1.346 4.856 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.929 -2.599 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.806 -4.604 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.674 -4.263 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.424 -3.865 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.846 -2.756 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.425 -1.941 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.015 -1.072 3.455 1.00 0.00 H new ATOM 1340 N SER A 87 -5.481 -2.667 6.814 1.00 0.00 N ATOM 1341 CA SER A 87 -6.049 -3.274 8.012 1.00 0.00 C ATOM 1342 C SER A 87 -5.982 -4.797 7.933 1.00 0.00 C ATOM 1343 O SER A 87 -5.843 -5.366 6.851 1.00 0.00 O ATOM 1344 CB SER A 87 -7.499 -2.825 8.200 1.00 0.00 C ATOM 1345 OG SER A 87 -8.277 -3.121 7.053 1.00 0.00 O ATOM 0 H SER A 87 -6.095 -2.688 5.999 1.00 0.00 H new ATOM 0 HA SER A 87 -5.461 -2.945 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.927 -3.321 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.529 -1.753 8.397 1.00 0.00 H new ATOM 0 HG SER A 87 -9.200 -2.826 7.199 1.00 0.00 H new ATOM 1351 N GLU A 88 -6.082 -5.448 9.088 1.00 0.00 N ATOM 1352 CA GLU A 88 -6.033 -6.904 9.149 1.00 0.00 C ATOM 1353 C GLU A 88 -6.704 -7.523 7.927 1.00 0.00 C ATOM 1354 O GLU A 88 -6.073 -8.256 7.165 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.710 -7.406 10.426 1.00 0.00 C ATOM 1356 CG GLU A 88 -6.283 -8.807 10.831 1.00 0.00 C ATOM 1357 CD GLU A 88 -7.206 -9.421 11.866 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -8.435 -9.234 11.752 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.697 -10.089 12.791 1.00 0.00 O ATOM 0 H GLU A 88 -6.197 -4.991 9.993 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.986 -7.207 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.486 -6.717 11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.791 -7.391 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.258 -9.445 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.269 -8.773 11.228 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.986 -7.223 7.747 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.743 -7.752 6.619 1.00 0.00 C ATOM 1368 C GLN A 89 -7.958 -7.602 5.319 1.00 0.00 C ATOM 1369 O GLN A 89 -7.691 -8.584 4.627 1.00 0.00 O ATOM 1370 CB GLN A 89 -10.089 -7.036 6.500 1.00 0.00 C ATOM 1371 CG GLN A 89 -11.144 -7.561 7.461 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.914 -8.738 6.894 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -11.339 -9.625 6.263 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -13.223 -8.752 7.118 1.00 0.00 N ATOM 0 H GLN A 89 -8.522 -6.617 8.368 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.918 -8.813 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.942 -5.971 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.456 -7.138 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.665 -7.860 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.841 -6.759 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.658 -7.996 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.793 -9.519 6.762 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.592 -6.366 4.993 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.842 -6.111 3.777 1.00 0.00 C ATOM 1385 C GLY A 90 -5.614 -6.990 3.658 1.00 0.00 C ATOM 1386 O GLY A 90 -5.436 -7.690 2.660 1.00 0.00 O ATOM 0 H GLY A 90 -7.801 -5.537 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.488 -6.276 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.539 -5.064 3.753 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.762 -6.955 4.677 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.542 -7.755 4.682 1.00 0.00 C ATOM 1392 C LEU A 91 -3.846 -9.215 4.362 1.00 0.00 C ATOM 1393 O LEU A 91 -3.378 -9.750 3.356 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.848 -7.653 6.041 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.481 -8.331 6.150 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.372 -7.355 5.791 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.272 -8.888 7.550 1.00 0.00 C ATOM 0 H LEU A 91 -4.893 -6.381 5.510 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.878 -7.364 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.728 -6.598 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.506 -8.084 6.796 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.450 -9.160 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.593 -7.854 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.513 -7.005 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.401 -6.505 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.294 -9.367 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.323 -8.076 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.049 -9.621 7.770 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.633 -9.852 5.222 1.00 0.00 N ATOM 1410 CA ILE A 92 -5.002 -11.249 5.028 1.00 0.00 C ATOM 1411 C ILE A 92 -5.246 -11.554 3.554 1.00 0.00 C ATOM 1412 O ILE A 92 -4.931 -12.643 3.075 1.00 0.00 O ATOM 1413 CB ILE A 92 -6.264 -11.614 5.832 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -6.015 -11.422 7.329 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.682 -13.048 5.539 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -7.267 -11.543 8.170 1.00 0.00 C ATOM 0 H ILE A 92 -5.027 -9.424 6.059 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.166 -11.849 5.387 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.074 -10.950 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.288 -12.161 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.571 -10.440 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.575 -13.291 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.895 -13.155 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.875 -13.726 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.015 -11.396 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.988 -10.787 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.701 -12.534 8.036 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.808 -10.583 2.839 1.00 0.00 N ATOM 1429 CA GLU A 93 -6.093 -10.748 1.419 1.00 0.00 C ATOM 1430 C GLU A 93 -4.818 -10.616 0.589 1.00 0.00 C ATOM 1431 O GLU A 93 -4.619 -11.347 -0.381 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.123 -9.714 0.959 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.506 -9.928 1.551 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.611 -9.408 0.653 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.568 -8.215 0.288 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.520 -10.196 0.315 1.00 0.00 O ATOM 0 H GLU A 93 -6.074 -9.675 3.220 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.501 -11.748 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.771 -8.718 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.194 -9.743 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.660 -10.992 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.564 -9.429 2.519 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.960 -9.680 0.979 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.706 -9.453 0.273 1.00 0.00 C ATOM 1445 C ILE A 94 -1.739 -10.613 0.482 1.00 0.00 C ATOM 1446 O ILE A 94 -0.821 -10.822 -0.313 1.00 0.00 O ATOM 1447 CB ILE A 94 -2.030 -8.147 0.731 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.996 -6.969 0.587 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.760 -7.898 -0.069 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.527 -5.714 1.290 1.00 0.00 C ATOM 0 H ILE A 94 -4.110 -9.067 1.780 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.951 -9.374 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.760 -8.245 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.136 -6.752 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.969 -7.257 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.294 -6.971 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.068 -8.727 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.007 -7.817 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.260 -4.921 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.414 -5.914 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.568 -5.402 0.876 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.951 -11.366 1.555 1.00 0.00 N ATOM 1463 CA LEU A 95 -1.099 -12.508 1.869 1.00 0.00 C ATOM 1464 C LEU A 95 -1.333 -13.649 0.884 1.00 0.00 C ATOM 1465 O LEU A 95 -0.417 -14.407 0.565 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.364 -12.990 3.297 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.507 -12.351 4.390 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -1.080 -12.658 5.765 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.932 -12.834 4.290 1.00 0.00 C ATOM 0 H LEU A 95 -2.706 -11.207 2.223 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.060 -12.188 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.413 -12.808 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.213 -14.069 3.329 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.517 -11.270 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.457 -12.195 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.093 -12.262 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.101 -13.737 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.527 -12.369 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.961 -13.917 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.340 -12.562 3.317 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.566 -13.764 0.402 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.922 -14.810 -0.550 1.00 0.00 C ATOM 1483 C LYS A 96 -3.090 -14.234 -1.953 1.00 0.00 C ATOM 1484 O LYS A 96 -3.752 -14.828 -2.804 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.213 -15.507 -0.115 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.051 -16.369 1.124 1.00 0.00 C ATOM 1487 CD LYS A 96 -4.321 -15.578 2.393 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.791 -15.629 2.780 1.00 0.00 C ATOM 1489 NZ LYS A 96 -6.143 -16.909 3.455 1.00 0.00 N ATOM 0 H LYS A 96 -3.336 -13.145 0.655 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.112 -15.539 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.977 -14.753 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.575 -16.128 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.734 -17.217 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.040 -16.776 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.715 -15.976 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.018 -14.541 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.021 -14.794 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.406 -15.508 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.153 -16.904 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.947 -17.705 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.575 -17.013 4.320 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.485 -13.075 -2.187 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.564 -12.419 -3.488 1.00 0.00 C ATOM 1505 C LYS A 97 -1.179 -12.275 -4.110 1.00 0.00 C ATOM 1506 O LYS A 97 -0.992 -12.533 -5.299 1.00 0.00 O ATOM 1507 CB LYS A 97 -3.218 -11.042 -3.349 1.00 0.00 C ATOM 1508 CG LYS A 97 -2.224 -9.918 -3.116 1.00 0.00 C ATOM 1509 CD LYS A 97 -2.916 -8.567 -3.043 1.00 0.00 C ATOM 1510 CE LYS A 97 -3.275 -8.049 -4.427 1.00 0.00 C ATOM 1511 NZ LYS A 97 -4.592 -8.568 -4.889 1.00 0.00 N ATOM 0 H LYS A 97 -1.934 -12.570 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.174 -13.040 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.791 -10.828 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.926 -11.067 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.679 -10.099 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.489 -9.908 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.820 -8.652 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.265 -7.850 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.299 -6.959 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.501 -8.341 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.449 -9.206 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.051 -9.088 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.196 -7.773 -5.178 1.00 0.00 H new ATOM 1525 N VAL A 98 -0.210 -11.863 -3.298 1.00 0.00 N ATOM 1526 CA VAL A 98 1.159 -11.688 -3.769 1.00 0.00 C ATOM 1527 C VAL A 98 1.735 -13.002 -4.284 1.00 0.00 C ATOM 1528 O VAL A 98 2.512 -13.019 -5.239 1.00 0.00 O ATOM 1529 CB VAL A 98 2.070 -11.142 -2.654 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.967 -12.008 -1.408 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.510 -11.057 -3.137 1.00 0.00 C ATOM 0 H VAL A 98 -0.348 -11.644 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 98 1.124 -10.966 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 98 1.737 -10.136 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.618 -11.607 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.937 -12.012 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.273 -13.027 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.140 -10.669 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.857 -12.050 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.566 -10.391 -3.998 1.00 0.00 H new