USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 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 Set 1.1: A 72 TYR OH : rot -88:sc= 0.52 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -152:sc= -0.0633 (180deg=-0.922) USER MOD Single : A 38 MET CE :methyl 167:sc= -0.168 (180deg=-0.677) USER MOD Single : A 40 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1 K(o=-1,f=-0.36) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -170:sc= -0.0686 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0286) USER MOD Single : A 65 LYS NZ :NH3+ -118:sc= 0.451 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 91:sc= -1.02 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.44) USER MOD Single : A 76 MET CE :methyl 175:sc= -5.02! (180deg=-5.53!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0334 K(o=-0.033,f=-2.7!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.137 USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0.185 (180deg=0.169) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 15.930 0.835 7.102 1.00 0.00 N ATOM 525 CA GLU A 37 15.160 1.768 7.916 1.00 0.00 C ATOM 526 C GLU A 37 13.939 2.276 7.155 1.00 0.00 C ATOM 527 O GLU A 37 12.842 2.357 7.705 1.00 0.00 O ATOM 528 CB GLU A 37 16.036 2.948 8.344 1.00 0.00 C ATOM 529 CG GLU A 37 17.147 2.564 9.307 1.00 0.00 C ATOM 530 CD GLU A 37 16.634 2.279 10.705 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.262 3.242 11.408 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.603 1.093 11.096 1.00 0.00 O ATOM 0 HA GLU A 37 14.817 1.238 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.477 3.403 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.407 3.706 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.664 1.683 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.880 3.370 9.350 1.00 0.00 H new ATOM 539 N MET A 38 14.140 2.618 5.886 1.00 0.00 N ATOM 540 CA MET A 38 13.056 3.117 5.049 1.00 0.00 C ATOM 541 C MET A 38 12.012 2.032 4.806 1.00 0.00 C ATOM 542 O MET A 38 10.816 2.314 4.734 1.00 0.00 O ATOM 543 CB MET A 38 13.605 3.620 3.712 1.00 0.00 C ATOM 544 CG MET A 38 13.910 2.507 2.723 1.00 0.00 C ATOM 545 SD MET A 38 14.187 3.121 1.050 1.00 0.00 S ATOM 546 CE MET A 38 15.106 4.621 1.389 1.00 0.00 C ATOM 0 H MET A 38 15.043 2.558 5.416 1.00 0.00 H new ATOM 0 HA MET A 38 12.579 3.945 5.573 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.882 4.303 3.266 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.515 4.192 3.894 1.00 0.00 H new ATOM 0 HG2 MET A 38 14.793 1.962 3.057 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.082 1.798 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.549 4.993 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.434 5.375 1.799 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.896 4.409 2.110 1.00 0.00 H new ATOM 556 N ARG A 39 12.472 0.791 4.681 1.00 0.00 N ATOM 557 CA ARG A 39 11.577 -0.335 4.446 1.00 0.00 C ATOM 558 C ARG A 39 10.755 -0.647 5.693 1.00 0.00 C ATOM 559 O ARG A 39 9.592 -1.036 5.600 1.00 0.00 O ATOM 560 CB ARG A 39 12.378 -1.570 4.028 1.00 0.00 C ATOM 561 CG ARG A 39 13.088 -2.256 5.183 1.00 0.00 C ATOM 562 CD ARG A 39 13.518 -3.667 4.814 1.00 0.00 C ATOM 563 NE ARG A 39 14.592 -3.671 3.825 1.00 0.00 N ATOM 564 CZ ARG A 39 15.146 -4.780 3.346 1.00 0.00 C ATOM 565 NH1 ARG A 39 14.728 -5.967 3.763 1.00 0.00 N ATOM 566 NH2 ARG A 39 16.119 -4.701 2.447 1.00 0.00 N ATOM 0 H ARG A 39 13.459 0.540 4.739 1.00 0.00 H new ATOM 0 HA ARG A 39 10.894 -0.062 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.706 -2.283 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.116 -1.278 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.962 -1.672 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.427 -2.291 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.849 -4.191 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.662 -4.216 4.422 1.00 0.00 H new ATOM 0 HE ARG A 39 14.936 -2.774 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.980 -6.031 4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.155 -6.817 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.442 -3.789 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.544 -5.552 2.079 1.00 0.00 H new ATOM 580 N ASN A 40 11.369 -0.473 6.859 1.00 0.00 N ATOM 581 CA ASN A 40 10.695 -0.737 8.125 1.00 0.00 C ATOM 582 C ASN A 40 9.766 0.415 8.496 1.00 0.00 C ATOM 583 O ASN A 40 8.900 0.274 9.359 1.00 0.00 O ATOM 584 CB ASN A 40 11.721 -0.958 9.237 1.00 0.00 C ATOM 585 CG ASN A 40 12.138 -2.412 9.358 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.509 -3.299 8.782 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.204 -2.660 10.110 1.00 0.00 N ATOM 0 H ASN A 40 12.332 -0.150 6.953 1.00 0.00 H new ATOM 0 HA ASN A 40 10.097 -1.641 8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.601 -0.345 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.302 -0.623 10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.533 -3.618 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.694 -1.892 10.569 1.00 0.00 H new ATOM 594 N SER A 41 9.953 1.555 7.839 1.00 0.00 N ATOM 595 CA SER A 41 9.135 2.733 8.102 1.00 0.00 C ATOM 596 C SER A 41 7.929 2.776 7.168 1.00 0.00 C ATOM 597 O SER A 41 6.798 2.985 7.607 1.00 0.00 O ATOM 598 CB SER A 41 9.968 4.006 7.937 1.00 0.00 C ATOM 599 OG SER A 41 9.364 5.100 8.606 1.00 0.00 O ATOM 0 H SER A 41 10.664 1.688 7.120 1.00 0.00 H new ATOM 0 HA SER A 41 8.775 2.673 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.971 3.842 8.332 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.077 4.238 6.878 1.00 0.00 H new ATOM 0 HG SER A 41 9.916 5.901 8.487 1.00 0.00 H new ATOM 605 N ILE A 42 8.180 2.578 5.878 1.00 0.00 N ATOM 606 CA ILE A 42 7.116 2.594 4.882 1.00 0.00 C ATOM 607 C ILE A 42 6.128 1.455 5.116 1.00 0.00 C ATOM 608 O ILE A 42 4.997 1.491 4.630 1.00 0.00 O ATOM 609 CB ILE A 42 7.681 2.483 3.454 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.664 3.624 3.181 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.551 2.496 2.435 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.705 3.287 2.137 1.00 0.00 C ATOM 0 H ILE A 42 9.111 2.405 5.498 1.00 0.00 H new ATOM 0 HA ILE A 42 6.599 3.548 4.986 1.00 0.00 H new ATOM 0 HB ILE A 42 8.216 1.538 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.107 4.503 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.166 3.890 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.966 2.417 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.885 1.653 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.991 3.427 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.367 4.141 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.287 2.427 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.212 3.050 1.195 1.00 0.00 H new ATOM 624 N LEU A 43 6.562 0.447 5.864 1.00 0.00 N ATOM 625 CA LEU A 43 5.716 -0.702 6.164 1.00 0.00 C ATOM 626 C LEU A 43 4.847 -0.434 7.389 1.00 0.00 C ATOM 627 O LEU A 43 3.752 -0.979 7.517 1.00 0.00 O ATOM 628 CB LEU A 43 6.574 -1.946 6.397 1.00 0.00 C ATOM 629 CG LEU A 43 7.186 -2.583 5.148 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.097 -3.740 5.530 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.093 -3.053 4.200 1.00 0.00 C ATOM 0 H LEU A 43 7.495 0.402 6.274 1.00 0.00 H new ATOM 0 HA LEU A 43 5.063 -0.873 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.382 -1.683 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.963 -2.695 6.900 1.00 0.00 H new ATOM 0 HG LEU A 43 7.785 -1.830 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.523 -4.181 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.900 -3.375 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.521 -4.495 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.546 -3.504 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.467 -3.790 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.481 -2.202 3.900 1.00 0.00 H new ATOM 643 N ALA A 44 5.343 0.412 8.286 1.00 0.00 N ATOM 644 CA ALA A 44 4.611 0.757 9.498 1.00 0.00 C ATOM 645 C ALA A 44 3.537 1.801 9.212 1.00 0.00 C ATOM 646 O ALA A 44 2.552 1.906 9.943 1.00 0.00 O ATOM 647 CB ALA A 44 5.569 1.262 10.568 1.00 0.00 C ATOM 0 H ALA A 44 6.249 0.871 8.196 1.00 0.00 H new ATOM 0 HA ALA A 44 4.117 -0.144 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.008 1.516 11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.297 0.485 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.089 2.148 10.202 1.00 0.00 H new ATOM 653 N GLN A 45 3.734 2.570 8.147 1.00 0.00 N ATOM 654 CA GLN A 45 2.781 3.606 7.766 1.00 0.00 C ATOM 655 C GLN A 45 1.661 3.028 6.908 1.00 0.00 C ATOM 656 O GLN A 45 0.506 3.438 7.018 1.00 0.00 O ATOM 657 CB GLN A 45 3.493 4.729 7.009 1.00 0.00 C ATOM 658 CG GLN A 45 3.901 4.346 5.596 1.00 0.00 C ATOM 659 CD GLN A 45 4.599 5.475 4.864 1.00 0.00 C ATOM 660 OE1 GLN A 45 4.048 6.061 3.931 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.820 5.787 5.283 1.00 0.00 N ATOM 0 H GLN A 45 4.545 2.496 7.532 1.00 0.00 H new ATOM 0 HA GLN A 45 2.341 4.013 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.838 5.599 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.381 5.026 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.562 3.480 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.016 4.047 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.239 5.276 6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.339 6.538 4.828 1.00 0.00 H new ATOM 670 N VAL A 46 2.011 2.073 6.052 1.00 0.00 N ATOM 671 CA VAL A 46 1.035 1.437 5.175 1.00 0.00 C ATOM 672 C VAL A 46 0.331 0.284 5.881 1.00 0.00 C ATOM 673 O VAL A 46 -0.693 -0.214 5.411 1.00 0.00 O ATOM 674 CB VAL A 46 1.697 0.910 3.888 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.375 2.043 3.133 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.691 -0.194 4.215 1.00 0.00 C ATOM 0 H VAL A 46 2.963 1.723 5.947 1.00 0.00 H new ATOM 0 HA VAL A 46 0.302 2.199 4.911 1.00 0.00 H new ATOM 0 HB VAL A 46 0.922 0.492 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.837 1.651 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.634 2.797 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.140 2.494 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.150 -0.555 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.464 0.197 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.173 -1.016 4.709 1.00 0.00 H new ATOM 686 N LEU A 47 0.886 -0.138 7.012 1.00 0.00 N ATOM 687 CA LEU A 47 0.311 -1.233 7.784 1.00 0.00 C ATOM 688 C LEU A 47 -0.124 -0.756 9.166 1.00 0.00 C ATOM 689 O LEU A 47 0.679 -0.220 9.930 1.00 0.00 O ATOM 690 CB LEU A 47 1.323 -2.373 7.922 1.00 0.00 C ATOM 691 CG LEU A 47 1.987 -2.840 6.626 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.167 -3.750 6.930 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.978 -3.551 5.736 1.00 0.00 C ATOM 0 H LEU A 47 1.734 0.262 7.414 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.568 -1.597 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.104 -2.057 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.820 -3.226 8.377 1.00 0.00 H new ATOM 0 HG LEU A 47 2.357 -1.964 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.628 -4.073 5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.900 -3.208 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.820 -4.622 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.468 -3.876 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.578 -4.418 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.165 -2.868 5.491 1.00 0.00 H new ATOM 705 N ASP A 48 -1.399 -0.955 9.480 1.00 0.00 N ATOM 706 CA ASP A 48 -1.941 -0.548 10.771 1.00 0.00 C ATOM 707 C ASP A 48 -1.479 -1.492 11.877 1.00 0.00 C ATOM 708 O ASP A 48 -1.244 -2.675 11.636 1.00 0.00 O ATOM 709 CB ASP A 48 -3.470 -0.513 10.719 1.00 0.00 C ATOM 710 CG ASP A 48 -4.076 0.148 11.941 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.690 1.295 12.248 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.937 -0.482 12.590 1.00 0.00 O ATOM 0 H ASP A 48 -2.077 -1.396 8.858 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.570 0.452 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.788 0.023 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.851 -1.531 10.633 1.00 0.00 H new ATOM 717 N GLN A 49 -1.351 -0.959 13.088 1.00 0.00 N ATOM 718 CA GLN A 49 -0.915 -1.754 14.229 1.00 0.00 C ATOM 719 C GLN A 49 -1.438 -3.183 14.129 1.00 0.00 C ATOM 720 O GLN A 49 -0.769 -4.130 14.541 1.00 0.00 O ATOM 721 CB GLN A 49 -1.391 -1.114 15.535 1.00 0.00 C ATOM 722 CG GLN A 49 -0.751 -1.716 16.776 1.00 0.00 C ATOM 723 CD GLN A 49 -1.566 -1.469 18.030 1.00 0.00 C ATOM 724 OE1 GLN A 49 -1.362 -0.478 18.732 1.00 0.00 O ATOM 725 NE2 GLN A 49 -2.496 -2.372 18.320 1.00 0.00 N ATOM 0 H GLN A 49 -1.543 0.019 13.304 1.00 0.00 H new ATOM 0 HA GLN A 49 0.175 -1.784 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.175 -0.046 15.507 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.474 -1.218 15.608 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.628 -2.790 16.633 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.246 -1.296 16.906 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.631 -3.179 17.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.075 -2.259 19.152 1.00 0.00 H new ATOM 734 N SER A 50 -2.640 -3.331 13.580 1.00 0.00 N ATOM 735 CA SER A 50 -3.255 -4.644 13.429 1.00 0.00 C ATOM 736 C SER A 50 -2.459 -5.509 12.457 1.00 0.00 C ATOM 737 O SER A 50 -1.922 -6.551 12.832 1.00 0.00 O ATOM 738 CB SER A 50 -4.697 -4.502 12.939 1.00 0.00 C ATOM 739 OG SER A 50 -4.754 -3.776 11.723 1.00 0.00 O ATOM 0 H SER A 50 -3.207 -2.557 13.233 1.00 0.00 H new ATOM 0 HA SER A 50 -3.256 -5.131 14.404 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.135 -5.490 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.294 -3.995 13.697 1.00 0.00 H new ATOM 0 HG SER A 50 -5.687 -3.563 11.513 1.00 0.00 H new ATOM 745 N ALA A 51 -2.387 -5.068 11.205 1.00 0.00 N ATOM 746 CA ALA A 51 -1.656 -5.800 10.179 1.00 0.00 C ATOM 747 C ALA A 51 -0.231 -6.104 10.631 1.00 0.00 C ATOM 748 O ALA A 51 0.238 -7.236 10.514 1.00 0.00 O ATOM 749 CB ALA A 51 -1.641 -5.011 8.878 1.00 0.00 C ATOM 0 H ALA A 51 -2.826 -4.208 10.878 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.166 -6.748 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.092 -5.569 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.664 -4.849 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.156 -4.048 9.042 1.00 0.00 H new ATOM 755 N ARG A 52 0.451 -5.087 11.147 1.00 0.00 N ATOM 756 CA ARG A 52 1.822 -5.246 11.615 1.00 0.00 C ATOM 757 C ARG A 52 1.987 -6.556 12.380 1.00 0.00 C ATOM 758 O ARG A 52 2.804 -7.401 12.016 1.00 0.00 O ATOM 759 CB ARG A 52 2.219 -4.069 12.507 1.00 0.00 C ATOM 760 CG ARG A 52 2.596 -2.817 11.732 1.00 0.00 C ATOM 761 CD ARG A 52 4.057 -2.842 11.310 1.00 0.00 C ATOM 762 NE ARG A 52 4.266 -3.641 10.106 1.00 0.00 N ATOM 763 CZ ARG A 52 5.462 -3.880 9.581 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.551 -3.383 10.151 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.571 -4.617 8.484 1.00 0.00 N ATOM 0 H ARG A 52 0.076 -4.144 11.251 1.00 0.00 H new ATOM 0 HA ARG A 52 2.476 -5.269 10.743 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.391 -3.836 13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.061 -4.366 13.133 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.963 -2.730 10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.409 -1.937 12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.400 -1.823 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.662 -3.245 12.122 1.00 0.00 H new ATOM 0 HE ARG A 52 3.448 -4.037 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.471 -2.816 10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.469 -3.568 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.736 -5.001 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.490 -4.800 8.082 1.00 0.00 H new ATOM 779 N ALA A 53 1.206 -6.717 13.444 1.00 0.00 N ATOM 780 CA ALA A 53 1.264 -7.923 14.259 1.00 0.00 C ATOM 781 C ALA A 53 1.118 -9.174 13.400 1.00 0.00 C ATOM 782 O ALA A 53 2.038 -9.986 13.307 1.00 0.00 O ATOM 783 CB ALA A 53 0.185 -7.888 15.331 1.00 0.00 C ATOM 0 H ALA A 53 0.526 -6.026 13.761 1.00 0.00 H new ATOM 0 HA ALA A 53 2.240 -7.958 14.742 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.240 -8.795 15.932 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.336 -7.019 15.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.795 -7.825 14.859 1.00 0.00 H new ATOM 789 N ARG A 54 -0.045 -9.324 12.773 1.00 0.00 N ATOM 790 CA ARG A 54 -0.312 -10.478 11.923 1.00 0.00 C ATOM 791 C ARG A 54 0.901 -10.807 11.058 1.00 0.00 C ATOM 792 O ARG A 54 1.310 -11.965 10.959 1.00 0.00 O ATOM 793 CB ARG A 54 -1.529 -10.213 11.034 1.00 0.00 C ATOM 794 CG ARG A 54 -2.071 -11.460 10.356 1.00 0.00 C ATOM 795 CD ARG A 54 -2.938 -12.276 11.301 1.00 0.00 C ATOM 796 NE ARG A 54 -3.760 -13.249 10.587 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.287 -14.387 10.091 1.00 0.00 C ATOM 798 NH1 ARG A 54 -2.005 -14.693 10.230 1.00 0.00 N ATOM 799 NH2 ARG A 54 -4.099 -15.222 9.453 1.00 0.00 N ATOM 0 H ARG A 54 -0.817 -8.661 12.838 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.521 -11.332 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.319 -9.766 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.259 -9.483 10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.654 -11.175 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.242 -12.072 10.001 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.303 -12.795 12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.582 -11.607 11.871 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.751 -13.044 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.378 -14.054 10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.645 -15.568 9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.086 -14.990 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.736 -16.096 9.072 1.00 0.00 H new ATOM 813 N LEU A 55 1.471 -9.783 10.433 1.00 0.00 N ATOM 814 CA LEU A 55 2.638 -9.964 9.575 1.00 0.00 C ATOM 815 C LEU A 55 3.784 -10.613 10.344 1.00 0.00 C ATOM 816 O LEU A 55 4.197 -11.731 10.036 1.00 0.00 O ATOM 817 CB LEU A 55 3.088 -8.618 9.004 1.00 0.00 C ATOM 818 CG LEU A 55 4.100 -8.680 7.859 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.457 -9.264 6.610 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.666 -7.297 7.573 1.00 0.00 C ATOM 0 H LEU A 55 1.145 -8.819 10.504 1.00 0.00 H new ATOM 0 HA LEU A 55 2.357 -10.624 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.206 -8.081 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.520 -8.029 9.813 1.00 0.00 H new ATOM 0 HG LEU A 55 4.921 -9.332 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.192 -9.300 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.100 -10.272 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.618 -8.638 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.384 -7.360 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.856 -6.623 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.164 -6.916 8.465 1.00 0.00 H new ATOM 832 N SER A 56 4.292 -9.904 11.347 1.00 0.00 N ATOM 833 CA SER A 56 5.392 -10.411 12.160 1.00 0.00 C ATOM 834 C SER A 56 5.162 -11.871 12.536 1.00 0.00 C ATOM 835 O SER A 56 6.067 -12.699 12.438 1.00 0.00 O ATOM 836 CB SER A 56 5.551 -9.565 13.425 1.00 0.00 C ATOM 837 OG SER A 56 6.792 -9.823 14.059 1.00 0.00 O ATOM 0 H SER A 56 3.960 -8.978 11.616 1.00 0.00 H new ATOM 0 HA SER A 56 6.307 -10.346 11.571 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.482 -8.507 13.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.735 -9.780 14.115 1.00 0.00 H new ATOM 0 HG SER A 56 6.870 -9.269 14.864 1.00 0.00 H new ATOM 843 N ASN A 57 3.944 -12.180 12.968 1.00 0.00 N ATOM 844 CA ASN A 57 3.593 -13.540 13.360 1.00 0.00 C ATOM 845 C ASN A 57 3.888 -14.524 12.232 1.00 0.00 C ATOM 846 O ASN A 57 4.420 -15.611 12.465 1.00 0.00 O ATOM 847 CB ASN A 57 2.115 -13.617 13.746 1.00 0.00 C ATOM 848 CG ASN A 57 1.624 -15.046 13.871 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.084 -15.800 14.729 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.684 -15.426 13.014 1.00 0.00 N ATOM 0 H ASN A 57 3.183 -11.507 13.056 1.00 0.00 H new ATOM 0 HA ASN A 57 4.201 -13.811 14.223 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.962 -13.099 14.693 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.519 -13.095 12.997 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.314 -16.376 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.331 -14.768 12.319 1.00 0.00 H new ATOM 857 N LEU A 58 3.540 -14.137 11.010 1.00 0.00 N ATOM 858 CA LEU A 58 3.768 -14.984 9.845 1.00 0.00 C ATOM 859 C LEU A 58 5.248 -15.320 9.697 1.00 0.00 C ATOM 860 O LEU A 58 5.607 -16.434 9.317 1.00 0.00 O ATOM 861 CB LEU A 58 3.261 -14.291 8.579 1.00 0.00 C ATOM 862 CG LEU A 58 3.167 -15.164 7.327 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.200 -14.556 6.323 1.00 0.00 C ATOM 864 CD2 LEU A 58 4.541 -15.350 6.702 1.00 0.00 C ATOM 0 H LEU A 58 3.099 -13.242 10.800 1.00 0.00 H new ATOM 0 HA LEU A 58 3.217 -15.913 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.273 -13.879 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.918 -13.449 8.362 1.00 0.00 H new ATOM 0 HG LEU A 58 2.787 -16.143 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.146 -15.191 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.210 -14.476 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.549 -13.564 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.455 -15.974 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.949 -14.378 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.205 -15.832 7.420 1.00 0.00 H new ATOM 876 N ALA A 59 6.103 -14.349 10.001 1.00 0.00 N ATOM 877 CA ALA A 59 7.545 -14.543 9.906 1.00 0.00 C ATOM 878 C ALA A 59 7.990 -15.754 10.719 1.00 0.00 C ATOM 879 O ALA A 59 9.077 -16.294 10.503 1.00 0.00 O ATOM 880 CB ALA A 59 8.277 -13.294 10.372 1.00 0.00 C ATOM 0 H ALA A 59 5.822 -13.420 10.315 1.00 0.00 H new ATOM 0 HA ALA A 59 7.794 -14.728 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.353 -13.453 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.990 -12.449 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.014 -13.084 11.409 1.00 0.00 H new ATOM 886 N LEU A 60 7.146 -16.177 11.653 1.00 0.00 N ATOM 887 CA LEU A 60 7.454 -17.324 12.500 1.00 0.00 C ATOM 888 C LEU A 60 7.179 -18.632 11.764 1.00 0.00 C ATOM 889 O LEU A 60 8.053 -19.492 11.658 1.00 0.00 O ATOM 890 CB LEU A 60 6.632 -17.268 13.788 1.00 0.00 C ATOM 891 CG LEU A 60 6.803 -16.009 14.639 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.647 -15.864 15.617 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.131 -16.044 15.382 1.00 0.00 C ATOM 0 H LEU A 60 6.243 -15.743 11.843 1.00 0.00 H new ATOM 0 HA LEU A 60 8.514 -17.285 12.752 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.578 -17.366 13.527 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.891 -18.133 14.399 1.00 0.00 H new ATOM 0 HG LEU A 60 6.802 -15.143 13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.786 -14.963 16.214 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.710 -15.792 15.065 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.615 -16.733 16.274 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.236 -15.140 15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.161 -16.918 16.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.949 -16.099 14.663 1.00 0.00 H new ATOM 905 N VAL A 61 5.958 -18.774 11.257 1.00 0.00 N ATOM 906 CA VAL A 61 5.569 -19.976 10.528 1.00 0.00 C ATOM 907 C VAL A 61 6.419 -20.159 9.276 1.00 0.00 C ATOM 908 O VAL A 61 6.881 -21.261 8.981 1.00 0.00 O ATOM 909 CB VAL A 61 4.083 -19.930 10.125 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.780 -18.662 9.342 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.712 -21.166 9.318 1.00 0.00 C ATOM 0 H VAL A 61 5.222 -18.072 11.338 1.00 0.00 H new ATOM 0 HA VAL A 61 5.730 -20.820 11.199 1.00 0.00 H new ATOM 0 HB VAL A 61 3.479 -19.921 11.032 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.726 -18.648 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.006 -17.791 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.391 -18.637 8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.659 -21.117 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.322 -21.208 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.889 -22.059 9.918 1.00 0.00 H new ATOM 921 N LYS A 62 6.621 -19.070 8.540 1.00 0.00 N ATOM 922 CA LYS A 62 7.417 -19.108 7.319 1.00 0.00 C ATOM 923 C LYS A 62 7.809 -17.701 6.881 1.00 0.00 C ATOM 924 O LYS A 62 6.964 -16.875 6.535 1.00 0.00 O ATOM 925 CB LYS A 62 6.639 -19.804 6.200 1.00 0.00 C ATOM 926 CG LYS A 62 5.174 -19.406 6.140 1.00 0.00 C ATOM 927 CD LYS A 62 4.604 -19.588 4.743 1.00 0.00 C ATOM 928 CE LYS A 62 3.095 -19.773 4.777 1.00 0.00 C ATOM 929 NZ LYS A 62 2.713 -21.140 5.227 1.00 0.00 N ATOM 0 H LYS A 62 6.244 -18.150 8.769 1.00 0.00 H new ATOM 0 HA LYS A 62 8.327 -19.672 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.109 -19.573 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.709 -20.883 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.603 -20.007 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.066 -18.365 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.852 -18.720 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.067 -20.454 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.654 -19.034 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.684 -19.590 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.691 -21.277 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.234 -21.847 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.947 -21.252 6.234 1.00 0.00 H new ATOM 943 N PRO A 63 9.120 -17.420 6.895 1.00 0.00 N ATOM 944 CA PRO A 63 9.654 -16.113 6.500 1.00 0.00 C ATOM 945 C PRO A 63 9.515 -15.858 5.003 1.00 0.00 C ATOM 946 O PRO A 63 9.577 -14.716 4.551 1.00 0.00 O ATOM 947 CB PRO A 63 11.131 -16.199 6.894 1.00 0.00 C ATOM 948 CG PRO A 63 11.444 -17.655 6.873 1.00 0.00 C ATOM 949 CD PRO A 63 10.183 -18.356 7.297 1.00 0.00 C ATOM 0 HA PRO A 63 9.119 -15.293 6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.760 -15.649 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.303 -15.771 7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.752 -17.974 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.266 -17.887 7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.075 -19.322 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.169 -18.543 8.371 1.00 0.00 H new ATOM 957 N GLU A 64 9.327 -16.931 4.240 1.00 0.00 N ATOM 958 CA GLU A 64 9.180 -16.822 2.794 1.00 0.00 C ATOM 959 C GLU A 64 8.133 -15.773 2.431 1.00 0.00 C ATOM 960 O GLU A 64 8.466 -14.671 1.996 1.00 0.00 O ATOM 961 CB GLU A 64 8.791 -18.175 2.195 1.00 0.00 C ATOM 962 CG GLU A 64 9.978 -19.086 1.929 1.00 0.00 C ATOM 963 CD GLU A 64 9.573 -20.538 1.763 1.00 0.00 C ATOM 964 OE1 GLU A 64 9.092 -20.899 0.668 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.737 -21.314 2.728 1.00 0.00 O ATOM 0 H GLU A 64 9.273 -17.884 4.599 1.00 0.00 H new ATOM 0 HA GLU A 64 10.139 -16.512 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.102 -18.679 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.255 -18.009 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.494 -18.751 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.687 -19.002 2.752 1.00 0.00 H new ATOM 972 N LYS A 65 6.864 -16.125 2.612 1.00 0.00 N ATOM 973 CA LYS A 65 5.766 -15.216 2.305 1.00 0.00 C ATOM 974 C LYS A 65 6.111 -13.788 2.716 1.00 0.00 C ATOM 975 O LYS A 65 6.132 -12.879 1.885 1.00 0.00 O ATOM 976 CB LYS A 65 4.488 -15.668 3.015 1.00 0.00 C ATOM 977 CG LYS A 65 3.796 -16.837 2.336 1.00 0.00 C ATOM 978 CD LYS A 65 2.820 -16.365 1.271 1.00 0.00 C ATOM 979 CE LYS A 65 2.170 -17.536 0.552 1.00 0.00 C ATOM 980 NZ LYS A 65 0.876 -17.152 -0.077 1.00 0.00 N ATOM 0 H LYS A 65 6.571 -17.034 2.970 1.00 0.00 H new ATOM 0 HA LYS A 65 5.602 -15.236 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.731 -15.946 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.796 -14.828 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.542 -17.490 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.265 -17.429 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.050 -15.746 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.343 -15.738 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.848 -17.914 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.003 -18.349 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.106 -17.707 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.700 -16.139 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.917 -17.341 -1.099 1.00 0.00 H new ATOM 994 N THR A 66 6.382 -13.597 4.003 1.00 0.00 N ATOM 995 CA THR A 66 6.726 -12.280 4.525 1.00 0.00 C ATOM 996 C THR A 66 7.668 -11.543 3.579 1.00 0.00 C ATOM 997 O THR A 66 7.255 -10.633 2.860 1.00 0.00 O ATOM 998 CB THR A 66 7.386 -12.380 5.913 1.00 0.00 C ATOM 999 OG1 THR A 66 7.975 -13.674 6.083 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.367 -12.132 7.015 1.00 0.00 C ATOM 0 H THR A 66 6.370 -14.338 4.704 1.00 0.00 H new ATOM 0 HA THR A 66 5.794 -11.722 4.614 1.00 0.00 H new ATOM 0 HB THR A 66 8.162 -11.617 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.905 -13.653 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.856 -12.208 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.942 -11.135 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.572 -12.875 6.950 1.00 0.00 H new ATOM 1008 N LYS A 67 8.935 -11.942 3.583 1.00 0.00 N ATOM 1009 CA LYS A 67 9.936 -11.322 2.724 1.00 0.00 C ATOM 1010 C LYS A 67 9.328 -10.913 1.387 1.00 0.00 C ATOM 1011 O LYS A 67 9.708 -9.897 0.806 1.00 0.00 O ATOM 1012 CB LYS A 67 11.105 -12.282 2.493 1.00 0.00 C ATOM 1013 CG LYS A 67 11.861 -12.637 3.761 1.00 0.00 C ATOM 1014 CD LYS A 67 13.193 -13.299 3.450 1.00 0.00 C ATOM 1015 CE LYS A 67 13.051 -14.808 3.331 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.258 -15.433 2.722 1.00 0.00 N ATOM 0 H LYS A 67 9.293 -12.693 4.173 1.00 0.00 H new ATOM 0 HA LYS A 67 10.303 -10.426 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.728 -13.197 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.797 -11.833 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.031 -11.735 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.255 -13.306 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.592 -12.896 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.911 -13.061 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.880 -15.236 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.176 -15.044 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.121 -16.462 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.407 -15.044 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.090 -15.230 3.313 1.00 0.00 H new ATOM 1030 N ALA A 68 8.379 -11.710 0.905 1.00 0.00 N ATOM 1031 CA ALA A 68 7.716 -11.429 -0.362 1.00 0.00 C ATOM 1032 C ALA A 68 6.738 -10.267 -0.223 1.00 0.00 C ATOM 1033 O ALA A 68 6.756 -9.329 -1.021 1.00 0.00 O ATOM 1034 CB ALA A 68 6.996 -12.670 -0.868 1.00 0.00 C ATOM 0 H ALA A 68 8.053 -12.555 1.373 1.00 0.00 H new ATOM 0 HA ALA A 68 8.478 -11.144 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.505 -12.445 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.717 -13.474 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.249 -12.981 -0.137 1.00 0.00 H new ATOM 1040 N VAL A 69 5.884 -10.336 0.793 1.00 0.00 N ATOM 1041 CA VAL A 69 4.899 -9.289 1.036 1.00 0.00 C ATOM 1042 C VAL A 69 5.575 -7.960 1.352 1.00 0.00 C ATOM 1043 O VAL A 69 5.275 -6.938 0.736 1.00 0.00 O ATOM 1044 CB VAL A 69 3.958 -9.663 2.197 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.984 -8.530 2.481 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.213 -10.952 1.885 1.00 0.00 C ATOM 0 H VAL A 69 5.854 -11.106 1.461 1.00 0.00 H new ATOM 0 HA VAL A 69 4.314 -9.187 0.122 1.00 0.00 H new ATOM 0 HB VAL A 69 4.560 -9.826 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.327 -8.812 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.539 -7.632 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.386 -8.333 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.553 -11.201 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.622 -10.820 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.930 -11.760 1.736 1.00 0.00 H new ATOM 1056 N GLU A 70 6.491 -7.982 2.316 1.00 0.00 N ATOM 1057 CA GLU A 70 7.210 -6.778 2.714 1.00 0.00 C ATOM 1058 C GLU A 70 7.608 -5.954 1.493 1.00 0.00 C ATOM 1059 O GLU A 70 7.476 -4.731 1.486 1.00 0.00 O ATOM 1060 CB GLU A 70 8.455 -7.144 3.524 1.00 0.00 C ATOM 1061 CG GLU A 70 8.193 -8.176 4.609 1.00 0.00 C ATOM 1062 CD GLU A 70 9.148 -8.046 5.779 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.177 -6.967 6.406 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.868 -9.025 6.069 1.00 0.00 O ATOM 0 H GLU A 70 6.752 -8.820 2.835 1.00 0.00 H new ATOM 0 HA GLU A 70 6.545 -6.178 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.219 -7.526 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.858 -6.241 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.169 -8.070 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.280 -9.176 4.183 1.00 0.00 H new ATOM 1071 N ASN A 71 8.097 -6.634 0.461 1.00 0.00 N ATOM 1072 CA ASN A 71 8.517 -5.966 -0.766 1.00 0.00 C ATOM 1073 C ASN A 71 7.310 -5.456 -1.547 1.00 0.00 C ATOM 1074 O ASN A 71 7.315 -4.334 -2.055 1.00 0.00 O ATOM 1075 CB ASN A 71 9.336 -6.921 -1.637 1.00 0.00 C ATOM 1076 CG ASN A 71 9.939 -6.229 -2.844 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.078 -5.006 -2.866 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.300 -7.011 -3.855 1.00 0.00 N ATOM 0 H ASN A 71 8.212 -7.647 0.450 1.00 0.00 H new ATOM 0 HA ASN A 71 9.138 -5.113 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.133 -7.361 -1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.699 -7.740 -1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.712 -6.602 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.166 -8.020 -3.792 1.00 0.00 H new ATOM 1085 N TYR A 72 6.277 -6.286 -1.638 1.00 0.00 N ATOM 1086 CA TYR A 72 5.063 -5.920 -2.358 1.00 0.00 C ATOM 1087 C TYR A 72 4.454 -4.644 -1.786 1.00 0.00 C ATOM 1088 O TYR A 72 4.101 -3.724 -2.526 1.00 0.00 O ATOM 1089 CB TYR A 72 4.044 -7.058 -2.294 1.00 0.00 C ATOM 1090 CG TYR A 72 2.702 -6.704 -2.894 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.616 -6.053 -4.118 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.519 -7.022 -2.236 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.392 -5.727 -4.669 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.291 -6.701 -2.780 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.232 -6.053 -3.997 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.989 -5.731 -4.543 1.00 0.00 O ATOM 0 H TYR A 72 6.256 -7.217 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 72 5.330 -5.739 -3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.448 -7.926 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.902 -7.349 -1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.522 -5.797 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.561 -7.529 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.343 -5.219 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.618 -6.956 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.241 -4.824 -4.270 1.00 0.00 H new ATOM 1106 N LEU A 73 4.334 -4.594 -0.464 1.00 0.00 N ATOM 1107 CA LEU A 73 3.768 -3.431 0.210 1.00 0.00 C ATOM 1108 C LEU A 73 4.613 -2.188 -0.049 1.00 0.00 C ATOM 1109 O LEU A 73 4.087 -1.129 -0.394 1.00 0.00 O ATOM 1110 CB LEU A 73 3.666 -3.688 1.714 1.00 0.00 C ATOM 1111 CG LEU A 73 2.912 -4.953 2.129 1.00 0.00 C ATOM 1112 CD1 LEU A 73 3.188 -5.283 3.588 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.419 -4.786 1.891 1.00 0.00 C ATOM 0 H LEU A 73 4.621 -5.346 0.163 1.00 0.00 H new ATOM 0 HA LEU A 73 2.769 -3.259 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.675 -3.740 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.178 -2.830 2.177 1.00 0.00 H new ATOM 0 HG LEU A 73 3.266 -5.782 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.644 -6.186 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.257 -5.446 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.862 -4.454 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.899 -5.695 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.049 -3.945 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.238 -4.598 0.833 1.00 0.00 H new ATOM 1125 N ILE A 74 5.924 -2.324 0.118 1.00 0.00 N ATOM 1126 CA ILE A 74 6.841 -1.213 -0.100 1.00 0.00 C ATOM 1127 C ILE A 74 6.669 -0.624 -1.497 1.00 0.00 C ATOM 1128 O ILE A 74 6.489 0.583 -1.654 1.00 0.00 O ATOM 1129 CB ILE A 74 8.307 -1.648 0.084 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.616 -1.858 1.568 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.246 -0.613 -0.517 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.873 -2.662 1.815 1.00 0.00 C ATOM 0 H ILE A 74 6.375 -3.193 0.404 1.00 0.00 H new ATOM 0 HA ILE A 74 6.600 -0.454 0.644 1.00 0.00 H new ATOM 0 HB ILE A 74 8.459 -2.593 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.715 -0.886 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.773 -2.363 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.278 -0.935 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.038 -0.508 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.096 0.346 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.030 -2.771 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.770 -3.648 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.727 -2.147 1.374 1.00 0.00 H new ATOM 1144 N GLN A 75 6.724 -1.486 -2.507 1.00 0.00 N ATOM 1145 CA GLN A 75 6.573 -1.052 -3.890 1.00 0.00 C ATOM 1146 C GLN A 75 5.203 -0.421 -4.116 1.00 0.00 C ATOM 1147 O GLN A 75 5.063 0.521 -4.896 1.00 0.00 O ATOM 1148 CB GLN A 75 6.766 -2.233 -4.842 1.00 0.00 C ATOM 1149 CG GLN A 75 5.730 -3.331 -4.668 1.00 0.00 C ATOM 1150 CD GLN A 75 5.706 -4.301 -5.833 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.233 -5.411 -5.742 1.00 0.00 O ATOM 1152 NE2 GLN A 75 5.093 -3.888 -6.936 1.00 0.00 N ATOM 0 H GLN A 75 6.872 -2.489 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 75 7.337 -0.302 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.730 -1.870 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.759 -2.655 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.937 -3.879 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.744 -2.880 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.670 -2.960 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.045 -4.498 -7.752 1.00 0.00 H new ATOM 1161 N MET A 76 4.194 -0.946 -3.429 1.00 0.00 N ATOM 1162 CA MET A 76 2.835 -0.433 -3.554 1.00 0.00 C ATOM 1163 C MET A 76 2.756 1.017 -3.087 1.00 0.00 C ATOM 1164 O MET A 76 2.105 1.848 -3.720 1.00 0.00 O ATOM 1165 CB MET A 76 1.864 -1.296 -2.744 1.00 0.00 C ATOM 1166 CG MET A 76 1.370 -2.522 -3.494 1.00 0.00 C ATOM 1167 SD MET A 76 -0.235 -3.095 -2.908 1.00 0.00 S ATOM 1168 CE MET A 76 0.108 -3.343 -1.168 1.00 0.00 C ATOM 0 H MET A 76 4.292 -1.727 -2.780 1.00 0.00 H new ATOM 0 HA MET A 76 2.554 -0.473 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.355 -1.616 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.007 -0.689 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.303 -2.290 -4.557 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.099 -3.326 -3.389 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.813 -3.613 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.838 -4.144 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.508 -2.423 -0.741 1.00 0.00 H new ATOM 1178 N ALA A 77 3.422 1.313 -1.976 1.00 0.00 N ATOM 1179 CA ALA A 77 3.428 2.663 -1.426 1.00 0.00 C ATOM 1180 C ALA A 77 4.067 3.649 -2.398 1.00 0.00 C ATOM 1181 O ALA A 77 3.489 4.691 -2.710 1.00 0.00 O ATOM 1182 CB ALA A 77 4.158 2.686 -0.091 1.00 0.00 C ATOM 0 H ALA A 77 3.964 0.636 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 77 2.394 2.969 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.155 3.700 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.656 2.019 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.187 2.355 -0.233 1.00 0.00 H new ATOM 1188 N ARG A 78 5.262 3.314 -2.873 1.00 0.00 N ATOM 1189 CA ARG A 78 5.980 4.171 -3.808 1.00 0.00 C ATOM 1190 C ARG A 78 5.041 4.709 -4.885 1.00 0.00 C ATOM 1191 O ARG A 78 4.919 5.920 -5.068 1.00 0.00 O ATOM 1192 CB ARG A 78 7.131 3.402 -4.459 1.00 0.00 C ATOM 1193 CG ARG A 78 8.161 2.891 -3.464 1.00 0.00 C ATOM 1194 CD ARG A 78 9.249 2.083 -4.154 1.00 0.00 C ATOM 1195 NE ARG A 78 10.354 2.925 -4.604 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.565 2.460 -4.885 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.827 1.166 -4.764 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.519 3.289 -5.289 1.00 0.00 N ATOM 0 H ARG A 78 5.753 2.455 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 78 6.386 5.014 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.724 2.557 -5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.627 4.050 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.610 3.734 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.668 2.273 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.627 1.325 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.823 1.557 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 78 10.186 3.926 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.097 0.525 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.759 0.812 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.322 4.285 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.449 2.930 -5.504 1.00 0.00 H new ATOM 1212 N TYR A 79 4.380 3.800 -5.593 1.00 0.00 N ATOM 1213 CA TYR A 79 3.454 4.182 -6.652 1.00 0.00 C ATOM 1214 C TYR A 79 2.436 5.199 -6.146 1.00 0.00 C ATOM 1215 O TYR A 79 2.292 6.283 -6.709 1.00 0.00 O ATOM 1216 CB TYR A 79 2.732 2.948 -7.196 1.00 0.00 C ATOM 1217 CG TYR A 79 3.524 2.193 -8.240 1.00 0.00 C ATOM 1218 CD1 TYR A 79 4.714 1.555 -7.911 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.083 2.118 -9.555 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.441 0.865 -8.861 1.00 0.00 C ATOM 1221 CE2 TYR A 79 3.803 1.429 -10.512 1.00 0.00 C ATOM 1222 CZ TYR A 79 4.982 0.805 -10.160 1.00 0.00 C ATOM 1223 OH TYR A 79 5.703 0.117 -11.109 1.00 0.00 O ATOM 0 H TYR A 79 4.468 2.794 -5.453 1.00 0.00 H new ATOM 0 HA TYR A 79 4.030 4.642 -7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.505 2.276 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.779 3.256 -7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.077 1.600 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.161 2.607 -9.834 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.364 0.375 -8.588 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.445 1.379 -11.530 1.00 0.00 H new ATOM 0 HH TYR A 79 5.242 0.171 -11.972 1.00 0.00 H new ATOM 1233 N GLY A 80 1.732 4.840 -5.077 1.00 0.00 N ATOM 1234 CA GLY A 80 0.736 5.731 -4.511 1.00 0.00 C ATOM 1235 C GLY A 80 -0.645 5.108 -4.473 1.00 0.00 C ATOM 1236 O GLY A 80 -1.652 5.816 -4.482 1.00 0.00 O ATOM 0 H GLY A 80 1.834 3.948 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.034 6.008 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.701 6.650 -5.096 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.693 3.780 -4.432 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.961 3.063 -4.395 1.00 0.00 C ATOM 1242 C GLN A 81 -2.515 3.009 -2.975 1.00 0.00 C ATOM 1243 O GLN A 81 -3.699 3.260 -2.749 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.786 1.645 -4.941 1.00 0.00 C ATOM 1245 CG GLN A 81 -1.271 1.603 -6.371 1.00 0.00 C ATOM 1246 CD GLN A 81 -2.378 1.761 -7.394 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -3.319 2.530 -7.194 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -2.272 1.033 -8.500 1.00 0.00 N ATOM 0 H GLN A 81 0.132 3.180 -4.424 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.672 3.601 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.095 1.100 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.743 1.125 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.536 2.395 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.757 0.657 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.475 0.408 -8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.987 1.099 -9.224 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.651 2.678 -2.021 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.054 2.590 -0.622 1.00 0.00 C ATOM 1259 C LEU A 82 -2.354 3.973 -0.053 1.00 0.00 C ATOM 1260 O LEU A 82 -1.446 4.774 0.170 1.00 0.00 O ATOM 1261 CB LEU A 82 -0.957 1.914 0.203 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.505 0.536 -0.282 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.898 0.228 0.218 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.483 -0.537 0.174 1.00 0.00 C ATOM 0 H LEU A 82 -0.668 2.466 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.963 1.991 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.089 2.572 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.310 1.818 1.230 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.487 0.543 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.203 -0.756 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.592 0.980 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.907 0.239 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.146 -1.511 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.534 -0.544 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.471 -0.325 -0.234 1.00 0.00 H new ATOM 1276 N SER A 83 -3.633 4.247 0.180 1.00 0.00 N ATOM 1277 CA SER A 83 -4.054 5.534 0.721 1.00 0.00 C ATOM 1278 C SER A 83 -4.199 5.464 2.239 1.00 0.00 C ATOM 1279 O SER A 83 -3.636 6.283 2.964 1.00 0.00 O ATOM 1280 CB SER A 83 -5.378 5.969 0.090 1.00 0.00 C ATOM 1281 OG SER A 83 -6.399 5.019 0.342 1.00 0.00 O ATOM 0 H SER A 83 -4.397 3.594 0.002 1.00 0.00 H new ATOM 0 HA SER A 83 -3.287 6.270 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.673 6.939 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.249 6.092 -0.985 1.00 0.00 H new ATOM 0 HG SER A 83 -7.235 5.321 -0.070 1.00 0.00 H new ATOM 1287 N GLU A 84 -4.959 4.480 2.709 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.179 4.303 4.140 1.00 0.00 C ATOM 1289 C GLU A 84 -4.368 3.127 4.674 1.00 0.00 C ATOM 1290 O GLU A 84 -3.880 2.295 3.908 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.666 4.084 4.426 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.537 5.276 4.067 1.00 0.00 C ATOM 1293 CD GLU A 84 -9.004 4.910 3.942 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.716 4.958 4.967 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.439 4.576 2.820 1.00 0.00 O ATOM 0 H GLU A 84 -5.432 3.794 2.121 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.848 5.209 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.010 3.213 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.794 3.857 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.422 6.047 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.191 5.703 3.126 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.227 3.063 5.994 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.476 1.989 6.633 1.00 0.00 C ATOM 1304 C LYS A 85 -4.187 0.651 6.459 1.00 0.00 C ATOM 1305 O LYS A 85 -5.372 0.521 6.767 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.286 2.288 8.122 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.533 3.579 8.392 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.956 3.604 9.797 1.00 0.00 C ATOM 1309 CE LYS A 85 -0.553 3.016 9.835 1.00 0.00 C ATOM 1310 NZ LYS A 85 -0.059 2.850 11.229 1.00 0.00 N ATOM 0 H LYS A 85 -4.624 3.743 6.642 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.499 1.927 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.264 2.341 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.748 1.460 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.728 3.691 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.204 4.428 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.931 4.630 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.605 3.042 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.551 2.049 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.128 3.664 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.871 2.385 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.027 3.783 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.730 2.266 11.768 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.455 -0.343 5.966 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.014 -1.673 5.754 1.00 0.00 C ATOM 1326 C VAL A 86 -4.331 -2.354 7.080 1.00 0.00 C ATOM 1327 O VAL A 86 -3.480 -2.437 7.966 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.051 -2.565 4.948 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.560 -3.998 4.905 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.865 -2.014 3.542 1.00 0.00 C ATOM 0 H VAL A 86 -2.473 -0.252 5.706 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.936 -1.542 5.187 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.081 -2.564 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.867 -4.613 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.636 -4.388 5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.542 -4.021 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.182 -2.657 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.828 -1.983 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.452 -1.007 3.598 1.00 0.00 H new ATOM 1340 N SER A 87 -5.560 -2.841 7.211 1.00 0.00 N ATOM 1341 CA SER A 87 -5.991 -3.513 8.431 1.00 0.00 C ATOM 1342 C SER A 87 -5.818 -5.024 8.309 1.00 0.00 C ATOM 1343 O SER A 87 -5.681 -5.556 7.209 1.00 0.00 O ATOM 1344 CB SER A 87 -7.453 -3.178 8.734 1.00 0.00 C ATOM 1345 OG SER A 87 -7.597 -1.821 9.117 1.00 0.00 O ATOM 0 H SER A 87 -6.276 -2.783 6.487 1.00 0.00 H new ATOM 0 HA SER A 87 -5.367 -3.159 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.065 -3.378 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.820 -3.825 9.531 1.00 0.00 H new ATOM 0 HG SER A 87 -8.540 -1.632 9.303 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.826 -5.707 9.449 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.669 -7.157 9.471 1.00 0.00 C ATOM 1353 C GLU A 88 -6.326 -7.793 8.249 1.00 0.00 C ATOM 1354 O GLU A 88 -5.698 -8.569 7.529 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.275 -7.739 10.750 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.857 -9.174 11.024 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.845 -9.911 11.907 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.970 -10.185 11.439 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.492 -10.215 13.066 1.00 0.00 O ATOM 0 H GLU A 88 -5.939 -5.281 10.369 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.603 -7.382 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.983 -7.117 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.362 -7.693 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.754 -9.705 10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.876 -9.178 11.500 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.592 -7.460 8.024 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.334 -8.000 6.890 1.00 0.00 C ATOM 1368 C GLN A 89 -7.573 -7.777 5.587 1.00 0.00 C ATOM 1369 O GLN A 89 -7.243 -8.728 4.879 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.717 -7.353 6.804 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.625 -7.701 7.973 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.956 -6.978 7.913 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.308 -6.383 6.894 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.706 -7.026 9.008 1.00 0.00 N ATOM 0 H GLN A 89 -8.126 -6.819 8.611 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.452 -9.073 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.600 -6.270 6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.197 -7.664 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.800 -8.777 7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.121 -7.450 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.376 -7.531 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.612 -6.558 9.026 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.300 -6.514 5.275 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.581 -6.189 4.057 1.00 0.00 C ATOM 1385 C GLY A 90 -5.321 -7.015 3.890 1.00 0.00 C ATOM 1386 O GLY A 90 -5.153 -7.710 2.887 1.00 0.00 O ATOM 0 H GLY A 90 -7.564 -5.710 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.234 -6.350 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.320 -5.131 4.064 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.431 -6.938 4.873 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.177 -7.683 4.830 1.00 0.00 C ATOM 1392 C LEU A 91 -3.418 -9.130 4.412 1.00 0.00 C ATOM 1393 O LEU A 91 -2.979 -9.558 3.344 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.491 -7.642 6.197 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.219 -8.481 6.334 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.004 -7.660 5.958 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.087 -9.020 7.751 1.00 0.00 C ATOM 0 H LEU A 91 -4.554 -6.367 5.710 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.528 -7.214 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.245 -6.605 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.205 -7.975 6.950 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.288 -9.327 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.899 -8.273 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.088 -7.323 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.078 -6.795 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.177 -9.614 7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.040 -8.188 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.950 -9.644 7.985 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.118 -9.876 5.258 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.420 -11.274 4.974 1.00 0.00 C ATOM 1411 C ILE A 92 -4.677 -11.489 3.487 1.00 0.00 C ATOM 1412 O ILE A 92 -4.148 -12.424 2.885 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.645 -11.759 5.771 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.337 -11.764 7.270 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.064 -13.146 5.306 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.573 -11.779 8.141 1.00 0.00 C ATOM 0 H ILE A 92 -4.487 -9.537 6.146 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.548 -11.853 5.277 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.472 -11.072 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.727 -12.636 7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.742 -10.884 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.931 -13.475 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.320 -13.113 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.242 -13.845 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.279 -11.782 9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.174 -10.893 7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.159 -12.673 7.926 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.490 -10.617 2.900 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.816 -10.712 1.482 1.00 0.00 C ATOM 1430 C GLU A 93 -4.563 -10.561 0.624 1.00 0.00 C ATOM 1431 O GLU A 93 -4.363 -11.304 -0.337 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.842 -9.643 1.099 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.188 -9.818 1.781 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.129 -8.658 1.521 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.916 -7.577 2.107 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.080 -8.833 0.730 1.00 0.00 O ATOM 0 H GLU A 93 -5.935 -9.837 3.384 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.244 -11.698 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.442 -8.661 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.987 -9.661 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.650 -10.741 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.036 -9.924 2.855 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.723 -9.595 0.979 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.490 -9.346 0.243 1.00 0.00 C ATOM 1445 C ILE A 94 -1.597 -10.582 0.233 1.00 0.00 C ATOM 1446 O ILE A 94 -1.011 -10.930 -0.792 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.705 -8.165 0.842 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.552 -6.891 0.806 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.399 -7.960 0.090 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.882 -5.701 1.457 1.00 0.00 C ATOM 0 H ILE A 94 -3.874 -8.972 1.772 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.777 -9.099 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.470 -8.394 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.781 -6.646 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.502 -7.082 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.144 -7.121 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.208 -8.862 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.612 -7.749 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.540 -4.834 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.677 -5.926 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.946 -5.484 0.943 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.500 -11.244 1.381 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.680 -12.444 1.506 1.00 0.00 C ATOM 1464 C LEU A 95 -1.046 -13.467 0.435 1.00 0.00 C ATOM 1465 O LEU A 95 -0.243 -14.334 0.089 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.850 -13.060 2.895 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.320 -12.232 4.066 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.628 -12.918 5.388 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.177 -11.999 3.920 1.00 0.00 C ATOM 0 H LEU A 95 -1.979 -10.970 2.239 1.00 0.00 H new ATOM 0 HA LEU A 95 0.363 -12.158 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.911 -13.248 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.350 -14.028 2.905 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.821 -11.264 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.243 -12.314 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.707 -13.032 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.155 -13.900 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.537 -11.408 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.694 -12.958 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.373 -11.464 2.991 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.263 -13.359 -0.088 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.735 -14.272 -1.122 1.00 0.00 C ATOM 1483 C LYS A 96 -2.786 -13.577 -2.479 1.00 0.00 C ATOM 1484 O LYS A 96 -3.573 -13.949 -3.350 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.122 -14.810 -0.761 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.138 -15.649 0.505 1.00 0.00 C ATOM 1487 CD LYS A 96 -4.354 -14.790 1.740 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.078 -15.559 2.834 1.00 0.00 C ATOM 1489 NZ LYS A 96 -4.234 -16.648 3.399 1.00 0.00 N ATOM 0 H LYS A 96 -2.940 -12.648 0.188 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.034 -15.104 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.808 -13.971 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.497 -15.411 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.929 -16.396 0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.196 -16.189 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.392 -14.441 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.932 -13.905 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.366 -14.873 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.997 -15.984 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.764 -17.148 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.980 -17.317 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.368 -16.240 3.806 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.940 -12.567 -2.653 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.886 -11.821 -3.905 1.00 0.00 C ATOM 1505 C LYS A 97 -0.458 -11.756 -4.438 1.00 0.00 C ATOM 1506 O LYS A 97 -0.214 -11.999 -5.620 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.432 -10.406 -3.704 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.935 -10.358 -3.489 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.471 -8.942 -3.613 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.848 -8.612 -5.049 1.00 0.00 C ATOM 1511 NZ LYS A 97 -3.704 -8.027 -5.802 1.00 0.00 N ATOM 0 H LYS A 97 -1.282 -12.246 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.505 -12.341 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.936 -9.953 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.179 -9.801 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.428 -11.000 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.175 -10.754 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.344 -8.825 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.719 -8.235 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.189 -9.517 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.682 -7.911 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.065 -7.403 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.105 -7.478 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.142 -8.791 -6.228 1.00 0.00 H new ATOM 1525 N VAL A 98 0.483 -11.428 -3.558 1.00 0.00 N ATOM 1526 CA VAL A 98 1.887 -11.333 -3.939 1.00 0.00 C ATOM 1527 C VAL A 98 2.385 -12.647 -4.530 1.00 0.00 C ATOM 1528 O VAL A 98 3.331 -12.666 -5.318 1.00 0.00 O ATOM 1529 CB VAL A 98 2.771 -10.955 -2.736 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.654 -12.001 -1.638 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.219 -10.787 -3.172 1.00 0.00 C ATOM 0 H VAL A 98 0.298 -11.224 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 98 1.959 -10.549 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 98 2.423 -10.003 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.286 -11.717 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.617 -12.067 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.975 -12.969 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.830 -10.520 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.582 -11.723 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.284 -9.998 -3.921 1.00 0.00 H new