USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 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 166:sc= -0.109 (180deg=-0.444) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.7) USER MOD Single : A 49 GLN : amide:sc= -3.55! C(o=-3.6!,f=-4.6!) USER MOD Single : A 50 SER OG : rot 101:sc= 0.077 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 82:sc= -0.122 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.105) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.158 K(o=-0.16,f=-2!) USER MOD Single : A 76 MET CE :methyl 164:sc= -0.61 (180deg=-1.34) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) 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=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.304 1.365 6.431 1.00 0.00 N ATOM 525 CA GLU A 37 15.532 2.162 7.377 1.00 0.00 C ATOM 526 C GLU A 37 14.235 2.655 6.742 1.00 0.00 C ATOM 527 O GLU A 37 13.188 2.685 7.387 1.00 0.00 O ATOM 528 CB GLU A 37 16.357 3.353 7.868 1.00 0.00 C ATOM 529 CG GLU A 37 17.365 2.992 8.946 1.00 0.00 C ATOM 530 CD GLU A 37 16.719 2.781 10.302 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.018 3.701 10.774 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.914 1.697 10.890 1.00 0.00 O ATOM 0 HA GLU A 37 15.282 1.528 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.885 3.792 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.682 4.117 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.894 2.084 8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.110 3.784 9.022 1.00 0.00 H new ATOM 539 N MET A 38 14.314 3.040 5.472 1.00 0.00 N ATOM 540 CA MET A 38 13.147 3.531 4.749 1.00 0.00 C ATOM 541 C MET A 38 12.101 2.432 4.594 1.00 0.00 C ATOM 542 O MET A 38 10.903 2.679 4.728 1.00 0.00 O ATOM 543 CB MET A 38 13.558 4.058 3.373 1.00 0.00 C ATOM 544 CG MET A 38 14.235 3.015 2.499 1.00 0.00 C ATOM 545 SD MET A 38 14.339 3.516 0.771 1.00 0.00 S ATOM 546 CE MET A 38 14.996 5.174 0.939 1.00 0.00 C ATOM 0 H MET A 38 15.173 3.021 4.923 1.00 0.00 H new ATOM 0 HA MET A 38 12.709 4.345 5.326 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.674 4.433 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.233 4.904 3.504 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.239 2.825 2.879 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.685 2.077 2.568 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.349 5.525 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.214 5.840 1.304 1.00 0.00 H new ATOM 0 HE3 MET A 38 15.825 5.167 1.646 1.00 0.00 H new ATOM 556 N ARG A 39 12.563 1.218 4.310 1.00 0.00 N ATOM 557 CA ARG A 39 11.667 0.081 4.136 1.00 0.00 C ATOM 558 C ARG A 39 10.954 -0.255 5.442 1.00 0.00 C ATOM 559 O ARG A 39 9.760 -0.552 5.451 1.00 0.00 O ATOM 560 CB ARG A 39 12.445 -1.138 3.639 1.00 0.00 C ATOM 561 CG ARG A 39 12.843 -1.051 2.174 1.00 0.00 C ATOM 562 CD ARG A 39 13.628 -2.278 1.737 1.00 0.00 C ATOM 563 NE ARG A 39 13.690 -2.398 0.282 1.00 0.00 N ATOM 564 CZ ARG A 39 14.527 -3.211 -0.353 1.00 0.00 C ATOM 565 NH1 ARG A 39 15.367 -3.972 0.335 1.00 0.00 N ATOM 566 NH2 ARG A 39 14.524 -3.264 -1.679 1.00 0.00 N ATOM 0 H ARG A 39 13.552 0.997 4.196 1.00 0.00 H new ATOM 0 HA ARG A 39 10.917 0.353 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.344 -1.256 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.839 -2.031 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.949 -0.951 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.444 -0.156 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.639 -2.224 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.166 -3.172 2.155 1.00 0.00 H new ATOM 0 HE ARG A 39 13.056 -1.826 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.372 -3.934 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.009 -4.595 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.879 -2.680 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.167 -3.888 -2.166 1.00 0.00 H new ATOM 580 N ASN A 40 11.695 -0.206 6.544 1.00 0.00 N ATOM 581 CA ASN A 40 11.135 -0.507 7.857 1.00 0.00 C ATOM 582 C ASN A 40 10.076 0.521 8.245 1.00 0.00 C ATOM 583 O ASN A 40 9.104 0.199 8.927 1.00 0.00 O ATOM 584 CB ASN A 40 12.242 -0.539 8.912 1.00 0.00 C ATOM 585 CG ASN A 40 12.882 -1.908 9.037 1.00 0.00 C ATOM 586 OD1 ASN A 40 12.370 -2.783 9.736 1.00 0.00 O ATOM 587 ND2 ASN A 40 14.007 -2.099 8.359 1.00 0.00 N ATOM 0 H ASN A 40 12.685 0.039 6.554 1.00 0.00 H new ATOM 0 HA ASN A 40 10.663 -1.488 7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.006 0.194 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.829 -0.244 9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.483 -3.000 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.395 -1.345 7.792 1.00 0.00 H new ATOM 594 N SER A 41 10.273 1.760 7.805 1.00 0.00 N ATOM 595 CA SER A 41 9.338 2.837 8.108 1.00 0.00 C ATOM 596 C SER A 41 8.145 2.803 7.158 1.00 0.00 C ATOM 597 O SER A 41 7.005 3.025 7.569 1.00 0.00 O ATOM 598 CB SER A 41 10.041 4.193 8.015 1.00 0.00 C ATOM 599 OG SER A 41 10.631 4.547 9.253 1.00 0.00 O ATOM 0 H SER A 41 11.072 2.043 7.237 1.00 0.00 H new ATOM 0 HA SER A 41 8.974 2.694 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.807 4.157 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.324 4.958 7.718 1.00 0.00 H new ATOM 0 HG SER A 41 11.075 5.416 9.167 1.00 0.00 H new ATOM 605 N ILE A 42 8.415 2.525 5.888 1.00 0.00 N ATOM 606 CA ILE A 42 7.364 2.461 4.880 1.00 0.00 C ATOM 607 C ILE A 42 6.353 1.368 5.208 1.00 0.00 C ATOM 608 O ILE A 42 5.155 1.524 4.971 1.00 0.00 O ATOM 609 CB ILE A 42 7.945 2.204 3.477 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.733 3.424 2.995 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.832 1.866 2.497 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.747 3.103 1.920 1.00 0.00 C ATOM 0 H ILE A 42 9.353 2.340 5.532 1.00 0.00 H new ATOM 0 HA ILE A 42 6.863 3.429 4.885 1.00 0.00 H new ATOM 0 HB ILE A 42 8.625 1.354 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.035 4.169 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.247 3.873 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.258 1.687 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.310 0.971 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.129 2.698 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.268 4.015 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.468 2.381 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.238 2.682 1.053 1.00 0.00 H new ATOM 624 N LEU A 43 6.844 0.261 5.755 1.00 0.00 N ATOM 625 CA LEU A 43 5.984 -0.859 6.119 1.00 0.00 C ATOM 626 C LEU A 43 5.171 -0.539 7.369 1.00 0.00 C ATOM 627 O LEU A 43 4.076 -1.066 7.561 1.00 0.00 O ATOM 628 CB LEU A 43 6.822 -2.117 6.350 1.00 0.00 C ATOM 629 CG LEU A 43 7.439 -2.752 5.103 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.644 -3.600 5.476 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.405 -3.587 4.362 1.00 0.00 C ATOM 0 H LEU A 43 7.833 0.115 5.956 1.00 0.00 H new ATOM 0 HA LEU A 43 5.293 -1.036 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.626 -1.871 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.195 -2.862 6.840 1.00 0.00 H new ATOM 0 HG LEU A 43 7.774 -1.954 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.069 -4.044 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.393 -2.974 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.335 -4.391 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.862 -4.031 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.039 -4.378 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.573 -2.951 4.060 1.00 0.00 H new ATOM 643 N ALA A 44 5.715 0.330 8.215 1.00 0.00 N ATOM 644 CA ALA A 44 5.038 0.724 9.445 1.00 0.00 C ATOM 645 C ALA A 44 3.889 1.684 9.156 1.00 0.00 C ATOM 646 O ALA A 44 2.891 1.705 9.875 1.00 0.00 O ATOM 647 CB ALA A 44 6.028 1.358 10.411 1.00 0.00 C ATOM 0 H ALA A 44 6.622 0.774 8.071 1.00 0.00 H new ATOM 0 HA ALA A 44 4.621 -0.172 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.510 1.648 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.813 0.641 10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.472 2.241 9.950 1.00 0.00 H new ATOM 653 N GLN A 45 4.038 2.478 8.100 1.00 0.00 N ATOM 654 CA GLN A 45 3.012 3.441 7.718 1.00 0.00 C ATOM 655 C GLN A 45 1.913 2.770 6.902 1.00 0.00 C ATOM 656 O GLN A 45 0.731 3.076 7.063 1.00 0.00 O ATOM 657 CB GLN A 45 3.632 4.587 6.916 1.00 0.00 C ATOM 658 CG GLN A 45 4.414 4.123 5.698 1.00 0.00 C ATOM 659 CD GLN A 45 5.026 5.275 4.925 1.00 0.00 C ATOM 660 OE1 GLN A 45 6.036 5.847 5.337 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.418 5.621 3.796 1.00 0.00 N ATOM 0 H GLN A 45 4.859 2.473 7.494 1.00 0.00 H new ATOM 0 HA GLN A 45 2.569 3.843 8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.841 5.263 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.294 5.158 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.204 3.443 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.753 3.559 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.583 5.120 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.786 6.388 3.233 1.00 0.00 H new ATOM 670 N VAL A 46 2.309 1.854 6.024 1.00 0.00 N ATOM 671 CA VAL A 46 1.357 1.139 5.183 1.00 0.00 C ATOM 672 C VAL A 46 0.703 -0.008 5.945 1.00 0.00 C ATOM 673 O VAL A 46 -0.279 -0.593 5.486 1.00 0.00 O ATOM 674 CB VAL A 46 2.035 0.579 3.918 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.641 1.705 3.094 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.093 -0.448 4.292 1.00 0.00 C ATOM 0 H VAL A 46 3.283 1.590 5.877 1.00 0.00 H new ATOM 0 HA VAL A 46 0.593 1.858 4.889 1.00 0.00 H new ATOM 0 HB VAL A 46 1.278 0.083 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.115 1.290 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.857 2.401 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.386 2.232 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.562 -0.833 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.849 0.021 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.627 -1.269 4.837 1.00 0.00 H new ATOM 686 N LEU A 47 1.253 -0.325 7.112 1.00 0.00 N ATOM 687 CA LEU A 47 0.723 -1.402 7.940 1.00 0.00 C ATOM 688 C LEU A 47 0.409 -0.904 9.347 1.00 0.00 C ATOM 689 O LEU A 47 1.311 -0.562 10.111 1.00 0.00 O ATOM 690 CB LEU A 47 1.721 -2.559 8.008 1.00 0.00 C ATOM 691 CG LEU A 47 2.292 -3.032 6.671 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.352 -4.101 6.890 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.181 -3.557 5.773 1.00 0.00 C ATOM 0 H LEU A 47 2.066 0.149 7.506 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.202 -1.754 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.550 -2.260 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.233 -3.405 8.492 1.00 0.00 H new ATOM 0 HG LEU A 47 2.761 -2.181 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.746 -4.425 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.162 -3.692 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.909 -4.953 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.605 -3.889 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.684 -4.395 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.457 -2.763 5.588 1.00 0.00 H new ATOM 705 N ASP A 48 -0.876 -0.867 9.683 1.00 0.00 N ATOM 706 CA ASP A 48 -1.310 -0.413 11.000 1.00 0.00 C ATOM 707 C ASP A 48 -0.945 -1.434 12.073 1.00 0.00 C ATOM 708 O ASP A 48 -0.441 -2.514 11.769 1.00 0.00 O ATOM 709 CB ASP A 48 -2.819 -0.164 11.006 1.00 0.00 C ATOM 710 CG ASP A 48 -3.617 -1.452 11.064 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.212 -2.431 10.404 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.648 -1.480 11.769 1.00 0.00 O ATOM 0 H ASP A 48 -1.635 -1.146 9.062 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.796 0.522 11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.078 0.460 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.096 0.392 10.110 1.00 0.00 H new ATOM 717 N GLN A 49 -1.203 -1.082 13.329 1.00 0.00 N ATOM 718 CA GLN A 49 -0.900 -1.967 14.447 1.00 0.00 C ATOM 719 C GLN A 49 -1.480 -3.359 14.212 1.00 0.00 C ATOM 720 O GLN A 49 -0.805 -4.366 14.423 1.00 0.00 O ATOM 721 CB GLN A 49 -1.452 -1.386 15.749 1.00 0.00 C ATOM 722 CG GLN A 49 -1.042 -2.167 16.987 1.00 0.00 C ATOM 723 CD GLN A 49 -1.597 -3.578 16.996 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.763 -3.801 16.672 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.761 -4.541 17.369 1.00 0.00 N ATOM 0 H GLN A 49 -1.621 -0.191 13.597 1.00 0.00 H new ATOM 0 HA GLN A 49 0.184 -2.053 14.526 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.111 -0.356 15.850 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.540 -1.358 15.692 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.046 -2.208 17.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.387 -1.639 17.876 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.198 -4.311 17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.078 -5.510 17.395 1.00 0.00 H new ATOM 734 N SER A 50 -2.734 -3.406 13.774 1.00 0.00 N ATOM 735 CA SER A 50 -3.405 -4.674 13.514 1.00 0.00 C ATOM 736 C SER A 50 -2.558 -5.562 12.608 1.00 0.00 C ATOM 737 O SER A 50 -2.093 -6.625 13.021 1.00 0.00 O ATOM 738 CB SER A 50 -4.772 -4.429 12.873 1.00 0.00 C ATOM 739 OG SER A 50 -5.595 -3.639 13.713 1.00 0.00 O ATOM 0 H SER A 50 -3.306 -2.581 13.592 1.00 0.00 H new ATOM 0 HA SER A 50 -3.544 -5.185 14.467 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.643 -3.930 11.912 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.260 -5.383 12.674 1.00 0.00 H new ATOM 0 HG SER A 50 -5.595 -2.713 13.393 1.00 0.00 H new ATOM 745 N ALA A 51 -2.361 -5.118 11.371 1.00 0.00 N ATOM 746 CA ALA A 51 -1.568 -5.871 10.407 1.00 0.00 C ATOM 747 C ALA A 51 -0.196 -6.218 10.975 1.00 0.00 C ATOM 748 O ALA A 51 0.234 -7.370 10.924 1.00 0.00 O ATOM 749 CB ALA A 51 -1.421 -5.081 9.114 1.00 0.00 C ATOM 0 H ALA A 51 -2.739 -4.241 11.013 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.090 -6.804 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.827 -5.655 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.407 -4.889 8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.924 -4.133 9.321 1.00 0.00 H new ATOM 755 N ARG A 52 0.486 -5.214 11.517 1.00 0.00 N ATOM 756 CA ARG A 52 1.810 -5.414 12.094 1.00 0.00 C ATOM 757 C ARG A 52 1.903 -6.770 12.786 1.00 0.00 C ATOM 758 O ARG A 52 2.869 -7.509 12.599 1.00 0.00 O ATOM 759 CB ARG A 52 2.129 -4.298 13.090 1.00 0.00 C ATOM 760 CG ARG A 52 2.510 -2.983 12.430 1.00 0.00 C ATOM 761 CD ARG A 52 3.910 -3.042 11.838 1.00 0.00 C ATOM 762 NE ARG A 52 4.937 -3.142 12.871 1.00 0.00 N ATOM 763 CZ ARG A 52 5.390 -4.297 13.347 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.908 -5.443 12.885 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.327 -4.307 14.287 1.00 0.00 N ATOM 0 H ARG A 52 0.144 -4.255 11.569 1.00 0.00 H new ATOM 0 HA ARG A 52 2.539 -5.389 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.262 -4.136 13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.946 -4.621 13.735 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.791 -2.747 11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.457 -2.178 13.163 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.985 -3.899 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.087 -2.151 11.236 1.00 0.00 H new ATOM 0 HE ARG A 52 5.328 -2.278 13.248 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.188 -5.439 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.257 -6.328 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.700 -3.428 14.645 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.674 -5.194 14.652 1.00 0.00 H new ATOM 779 N ALA A 53 0.891 -7.091 13.586 1.00 0.00 N ATOM 780 CA ALA A 53 0.858 -8.358 14.305 1.00 0.00 C ATOM 781 C ALA A 53 0.735 -9.533 13.341 1.00 0.00 C ATOM 782 O ALA A 53 1.542 -10.462 13.374 1.00 0.00 O ATOM 783 CB ALA A 53 -0.292 -8.369 15.302 1.00 0.00 C ATOM 0 H ALA A 53 0.083 -6.491 13.752 1.00 0.00 H new ATOM 0 HA ALA A 53 1.797 -8.464 14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.305 -9.321 15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.161 -7.557 16.017 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.235 -8.236 14.771 1.00 0.00 H new ATOM 789 N ARG A 54 -0.279 -9.486 12.484 1.00 0.00 N ATOM 790 CA ARG A 54 -0.508 -10.548 11.511 1.00 0.00 C ATOM 791 C ARG A 54 0.748 -10.807 10.684 1.00 0.00 C ATOM 792 O ARG A 54 1.018 -11.941 10.285 1.00 0.00 O ATOM 793 CB ARG A 54 -1.673 -10.182 10.589 1.00 0.00 C ATOM 794 CG ARG A 54 -3.026 -10.643 11.105 1.00 0.00 C ATOM 795 CD ARG A 54 -3.203 -12.144 10.942 1.00 0.00 C ATOM 796 NE ARG A 54 -3.176 -12.549 9.540 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.529 -13.758 9.117 1.00 0.00 C ATOM 798 NH1 ARG A 54 -3.935 -14.675 9.984 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.478 -14.051 7.824 1.00 0.00 N ATOM 0 H ARG A 54 -0.956 -8.724 12.443 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.758 -11.458 12.056 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.694 -9.100 10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.499 -10.621 9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.125 -10.376 12.157 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.818 -10.122 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.413 -12.663 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.150 -12.448 11.389 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.869 -11.866 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.977 -14.453 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.205 -15.602 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.168 -13.348 7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.749 -14.980 7.500 1.00 0.00 H new ATOM 813 N LEU A 55 1.511 -9.750 10.429 1.00 0.00 N ATOM 814 CA LEU A 55 2.738 -9.862 9.649 1.00 0.00 C ATOM 815 C LEU A 55 3.827 -10.573 10.446 1.00 0.00 C ATOM 816 O LEU A 55 4.283 -11.652 10.067 1.00 0.00 O ATOM 817 CB LEU A 55 3.224 -8.476 9.223 1.00 0.00 C ATOM 818 CG LEU A 55 4.577 -8.428 8.512 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.456 -8.978 7.099 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.116 -7.005 8.487 1.00 0.00 C ATOM 0 H LEU A 55 1.301 -8.805 10.751 1.00 0.00 H new ATOM 0 HA LEU A 55 2.521 -10.453 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.474 -8.037 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.279 -7.844 10.109 1.00 0.00 H new ATOM 0 HG LEU A 55 5.279 -9.052 9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.428 -8.936 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.114 -10.012 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.739 -8.380 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.079 -6.990 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.415 -6.360 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.240 -6.645 9.508 1.00 0.00 H new ATOM 832 N SER A 56 4.238 -9.962 11.552 1.00 0.00 N ATOM 833 CA SER A 56 5.274 -10.535 12.403 1.00 0.00 C ATOM 834 C SER A 56 4.955 -11.988 12.744 1.00 0.00 C ATOM 835 O SER A 56 5.854 -12.793 12.983 1.00 0.00 O ATOM 836 CB SER A 56 5.420 -9.718 13.687 1.00 0.00 C ATOM 837 OG SER A 56 6.463 -10.227 14.500 1.00 0.00 O ATOM 0 H SER A 56 3.869 -9.069 11.880 1.00 0.00 H new ATOM 0 HA SER A 56 6.216 -10.507 11.855 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.624 -8.677 13.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.482 -9.735 14.241 1.00 0.00 H new ATOM 0 HG SER A 56 6.537 -9.686 15.314 1.00 0.00 H new ATOM 843 N ASN A 57 3.667 -12.315 12.765 1.00 0.00 N ATOM 844 CA ASN A 57 3.227 -13.669 13.078 1.00 0.00 C ATOM 845 C ASN A 57 3.684 -14.651 12.003 1.00 0.00 C ATOM 846 O ASN A 57 4.267 -15.693 12.306 1.00 0.00 O ATOM 847 CB ASN A 57 1.704 -13.715 13.212 1.00 0.00 C ATOM 848 CG ASN A 57 1.160 -15.129 13.145 1.00 0.00 C ATOM 849 OD1 ASN A 57 1.625 -16.020 13.857 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.169 -15.342 12.286 1.00 0.00 N ATOM 0 H ASN A 57 2.910 -11.660 12.569 1.00 0.00 H new ATOM 0 HA ASN A 57 3.677 -13.960 14.027 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.411 -13.261 14.159 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.254 -13.118 12.419 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.237 -16.273 12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.185 -14.574 11.716 1.00 0.00 H new ATOM 857 N LEU A 58 3.416 -14.312 10.747 1.00 0.00 N ATOM 858 CA LEU A 58 3.801 -15.163 9.626 1.00 0.00 C ATOM 859 C LEU A 58 5.312 -15.366 9.589 1.00 0.00 C ATOM 860 O LEU A 58 5.794 -16.460 9.301 1.00 0.00 O ATOM 861 CB LEU A 58 3.324 -14.550 8.308 1.00 0.00 C ATOM 862 CG LEU A 58 3.179 -15.516 7.132 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.810 -16.177 7.151 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.405 -14.790 5.814 1.00 0.00 C ATOM 0 H LEU A 58 2.934 -13.454 10.479 1.00 0.00 H new ATOM 0 HA LEU A 58 3.327 -16.135 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.360 -14.072 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.023 -13.764 8.022 1.00 0.00 H new ATOM 0 HG LEU A 58 3.937 -16.293 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.725 -16.861 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.687 -16.731 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.036 -15.413 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.298 -15.493 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.671 -13.991 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.408 -14.365 5.800 1.00 0.00 H new ATOM 876 N ALA A 59 6.054 -14.303 9.886 1.00 0.00 N ATOM 877 CA ALA A 59 7.510 -14.366 9.891 1.00 0.00 C ATOM 878 C ALA A 59 8.006 -15.540 10.727 1.00 0.00 C ATOM 879 O ALA A 59 9.107 -16.049 10.510 1.00 0.00 O ATOM 880 CB ALA A 59 8.092 -13.060 10.413 1.00 0.00 C ATOM 0 H ALA A 59 5.670 -13.389 10.126 1.00 0.00 H new ATOM 0 HA ALA A 59 7.846 -14.517 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.180 -13.120 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.773 -12.238 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.740 -12.885 11.430 1.00 0.00 H new ATOM 886 N LEU A 60 7.189 -15.967 11.683 1.00 0.00 N ATOM 887 CA LEU A 60 7.545 -17.082 12.553 1.00 0.00 C ATOM 888 C LEU A 60 7.377 -18.414 11.828 1.00 0.00 C ATOM 889 O LEU A 60 8.357 -19.086 11.506 1.00 0.00 O ATOM 890 CB LEU A 60 6.684 -17.064 13.817 1.00 0.00 C ATOM 891 CG LEU A 60 6.893 -15.875 14.755 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.763 -15.790 15.769 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.238 -15.982 15.459 1.00 0.00 C ATOM 0 H LEU A 60 6.275 -15.558 11.875 1.00 0.00 H new ATOM 0 HA LEU A 60 8.593 -16.972 12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.636 -17.086 13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.876 -17.980 14.376 1.00 0.00 H new ATOM 0 HG LEU A 60 6.888 -14.962 14.160 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.929 -14.938 16.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.814 -15.666 15.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.735 -16.706 16.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.370 -15.128 16.123 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.272 -16.903 16.042 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.037 -15.993 14.718 1.00 0.00 H new ATOM 905 N VAL A 61 6.127 -18.788 11.572 1.00 0.00 N ATOM 906 CA VAL A 61 5.830 -20.038 10.881 1.00 0.00 C ATOM 907 C VAL A 61 6.609 -20.143 9.575 1.00 0.00 C ATOM 908 O VAL A 61 7.238 -21.164 9.294 1.00 0.00 O ATOM 909 CB VAL A 61 4.325 -20.169 10.581 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.611 -20.870 11.725 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.714 -18.801 10.318 1.00 0.00 C ATOM 0 H VAL A 61 5.304 -18.244 11.832 1.00 0.00 H new ATOM 0 HA VAL A 61 6.132 -20.847 11.546 1.00 0.00 H new ATOM 0 HB VAL A 61 4.203 -20.775 9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.549 -20.953 11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.032 -21.866 11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.739 -20.294 12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.650 -18.912 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.846 -18.169 11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.207 -18.341 9.462 1.00 0.00 H new ATOM 921 N LYS A 62 6.565 -19.080 8.779 1.00 0.00 N ATOM 922 CA LYS A 62 7.268 -19.050 7.502 1.00 0.00 C ATOM 923 C LYS A 62 7.735 -17.636 7.171 1.00 0.00 C ATOM 924 O LYS A 62 6.949 -16.771 6.785 1.00 0.00 O ATOM 925 CB LYS A 62 6.362 -19.574 6.385 1.00 0.00 C ATOM 926 CG LYS A 62 4.888 -19.285 6.612 1.00 0.00 C ATOM 927 CD LYS A 62 4.032 -19.830 5.481 1.00 0.00 C ATOM 928 CE LYS A 62 2.566 -19.903 5.877 1.00 0.00 C ATOM 929 NZ LYS A 62 1.665 -19.763 4.699 1.00 0.00 N ATOM 0 H LYS A 62 6.049 -18.227 8.996 1.00 0.00 H new ATOM 0 HA LYS A 62 8.144 -19.693 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.670 -19.128 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.502 -20.651 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.571 -19.728 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.736 -18.209 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.141 -19.195 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.385 -20.823 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.371 -20.854 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.345 -19.116 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.674 -19.818 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.833 -18.845 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.858 -20.528 4.022 1.00 0.00 H new ATOM 943 N PRO A 63 9.046 -17.394 7.325 1.00 0.00 N ATOM 944 CA PRO A 63 9.647 -16.087 7.046 1.00 0.00 C ATOM 945 C PRO A 63 9.661 -15.762 5.556 1.00 0.00 C ATOM 946 O PRO A 63 9.263 -14.672 5.146 1.00 0.00 O ATOM 947 CB PRO A 63 11.076 -16.233 7.575 1.00 0.00 C ATOM 948 CG PRO A 63 11.354 -17.696 7.515 1.00 0.00 C ATOM 949 CD PRO A 63 10.041 -18.378 7.782 1.00 0.00 C ATOM 0 HA PRO A 63 9.088 -15.274 7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.783 -15.670 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.162 -15.855 8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.749 -17.978 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.100 -17.982 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.958 -19.317 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.918 -18.613 8.839 1.00 0.00 H new ATOM 957 N GLU A 64 10.123 -16.714 4.751 1.00 0.00 N ATOM 958 CA GLU A 64 10.189 -16.527 3.307 1.00 0.00 C ATOM 959 C GLU A 64 8.953 -15.791 2.797 1.00 0.00 C ATOM 960 O GLU A 64 9.030 -14.630 2.395 1.00 0.00 O ATOM 961 CB GLU A 64 10.319 -17.878 2.601 1.00 0.00 C ATOM 962 CG GLU A 64 11.580 -18.640 2.973 1.00 0.00 C ATOM 963 CD GLU A 64 11.583 -20.059 2.437 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.789 -20.883 2.937 1.00 0.00 O ATOM 965 OE2 GLU A 64 12.379 -20.345 1.518 1.00 0.00 O ATOM 0 H GLU A 64 10.457 -17.622 5.075 1.00 0.00 H new ATOM 0 HA GLU A 64 11.068 -15.923 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.450 -18.490 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.306 -17.718 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.449 -18.108 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.678 -18.665 4.058 1.00 0.00 H new ATOM 972 N LYS A 65 7.815 -16.475 2.815 1.00 0.00 N ATOM 973 CA LYS A 65 6.561 -15.889 2.355 1.00 0.00 C ATOM 974 C LYS A 65 6.447 -14.434 2.798 1.00 0.00 C ATOM 975 O LYS A 65 6.183 -13.546 1.986 1.00 0.00 O ATOM 976 CB LYS A 65 5.373 -16.691 2.890 1.00 0.00 C ATOM 977 CG LYS A 65 4.027 -16.186 2.397 1.00 0.00 C ATOM 978 CD LYS A 65 3.826 -16.486 0.922 1.00 0.00 C ATOM 979 CE LYS A 65 4.285 -15.328 0.050 1.00 0.00 C ATOM 980 NZ LYS A 65 4.790 -15.794 -1.272 1.00 0.00 N ATOM 0 H LYS A 65 7.735 -17.437 3.144 1.00 0.00 H new ATOM 0 HA LYS A 65 6.551 -15.921 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.489 -17.735 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.386 -16.661 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.229 -16.651 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.957 -15.111 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.379 -17.386 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.772 -16.691 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.456 -14.637 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.071 -14.775 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.093 -14.975 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.597 -16.434 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.033 -16.299 -1.774 1.00 0.00 H new ATOM 994 N THR A 66 6.649 -14.195 4.090 1.00 0.00 N ATOM 995 CA THR A 66 6.569 -12.848 4.640 1.00 0.00 C ATOM 996 C THR A 66 7.424 -11.874 3.837 1.00 0.00 C ATOM 997 O THR A 66 6.910 -10.936 3.227 1.00 0.00 O ATOM 998 CB THR A 66 7.019 -12.815 6.113 1.00 0.00 C ATOM 999 OG1 THR A 66 6.701 -14.057 6.750 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.349 -11.670 6.858 1.00 0.00 C ATOM 0 H THR A 66 6.869 -14.918 4.775 1.00 0.00 H new ATOM 0 HA THR A 66 5.524 -12.544 4.580 1.00 0.00 H new ATOM 0 HB THR A 66 8.098 -12.661 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.393 -14.719 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.682 -11.667 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.617 -10.724 6.388 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.267 -11.798 6.825 1.00 0.00 H new ATOM 1008 N LYS A 67 8.733 -12.103 3.839 1.00 0.00 N ATOM 1009 CA LYS A 67 9.661 -11.248 3.109 1.00 0.00 C ATOM 1010 C LYS A 67 9.025 -10.727 1.824 1.00 0.00 C ATOM 1011 O LYS A 67 8.938 -9.519 1.609 1.00 0.00 O ATOM 1012 CB LYS A 67 10.944 -12.015 2.781 1.00 0.00 C ATOM 1013 CG LYS A 67 11.828 -12.267 3.991 1.00 0.00 C ATOM 1014 CD LYS A 67 13.224 -12.705 3.580 1.00 0.00 C ATOM 1015 CE LYS A 67 14.190 -12.660 4.754 1.00 0.00 C ATOM 1016 NZ LYS A 67 13.694 -13.456 5.911 1.00 0.00 N ATOM 0 H LYS A 67 9.175 -12.874 4.339 1.00 0.00 H new ATOM 0 HA LYS A 67 9.907 -10.396 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.680 -12.971 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.511 -11.456 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.892 -11.359 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.376 -13.034 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.185 -13.717 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.589 -12.059 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.161 -13.042 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.339 -11.625 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.436 -13.513 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.851 -12.997 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.447 -14.415 5.592 1.00 0.00 H new ATOM 1030 N ALA A 68 8.582 -11.647 0.974 1.00 0.00 N ATOM 1031 CA ALA A 68 7.951 -11.281 -0.288 1.00 0.00 C ATOM 1032 C ALA A 68 6.899 -10.197 -0.081 1.00 0.00 C ATOM 1033 O ALA A 68 6.940 -9.146 -0.722 1.00 0.00 O ATOM 1034 CB ALA A 68 7.328 -12.505 -0.942 1.00 0.00 C ATOM 0 H ALA A 68 8.648 -12.652 1.136 1.00 0.00 H new ATOM 0 HA ALA A 68 8.721 -10.883 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.861 -12.216 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.102 -13.248 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.575 -12.929 -0.278 1.00 0.00 H new ATOM 1040 N VAL A 69 5.955 -10.458 0.818 1.00 0.00 N ATOM 1041 CA VAL A 69 4.892 -9.504 1.110 1.00 0.00 C ATOM 1042 C VAL A 69 5.456 -8.108 1.347 1.00 0.00 C ATOM 1043 O VAL A 69 5.047 -7.145 0.700 1.00 0.00 O ATOM 1044 CB VAL A 69 4.076 -9.933 2.344 1.00 0.00 C ATOM 1045 CG1 VAL A 69 3.024 -8.886 2.679 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.433 -11.292 2.112 1.00 0.00 C ATOM 0 H VAL A 69 5.905 -11.323 1.357 1.00 0.00 H new ATOM 0 HA VAL A 69 4.236 -9.484 0.239 1.00 0.00 H new ATOM 0 HB VAL A 69 4.753 -10.018 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.457 -9.206 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.512 -7.935 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.348 -8.766 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.861 -11.579 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.768 -11.238 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.209 -12.035 1.926 1.00 0.00 H new ATOM 1056 N GLU A 70 6.398 -8.006 2.279 1.00 0.00 N ATOM 1057 CA GLU A 70 7.019 -6.727 2.602 1.00 0.00 C ATOM 1058 C GLU A 70 7.325 -5.936 1.333 1.00 0.00 C ATOM 1059 O GLU A 70 6.827 -4.827 1.145 1.00 0.00 O ATOM 1060 CB GLU A 70 8.304 -6.945 3.402 1.00 0.00 C ATOM 1061 CG GLU A 70 8.061 -7.289 4.862 1.00 0.00 C ATOM 1062 CD GLU A 70 7.678 -8.743 5.063 1.00 0.00 C ATOM 1063 OE1 GLU A 70 6.530 -9.105 4.729 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.525 -9.518 5.554 1.00 0.00 O ATOM 0 H GLU A 70 6.748 -8.794 2.824 1.00 0.00 H new ATOM 0 HA GLU A 70 6.317 -6.154 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.878 -7.747 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.914 -6.043 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.961 -7.071 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.269 -6.651 5.255 1.00 0.00 H new ATOM 1071 N ASN A 71 8.149 -6.515 0.466 1.00 0.00 N ATOM 1072 CA ASN A 71 8.524 -5.865 -0.784 1.00 0.00 C ATOM 1073 C ASN A 71 7.286 -5.451 -1.574 1.00 0.00 C ATOM 1074 O ASN A 71 7.291 -4.434 -2.269 1.00 0.00 O ATOM 1075 CB ASN A 71 9.393 -6.799 -1.629 1.00 0.00 C ATOM 1076 CG ASN A 71 9.978 -6.103 -2.843 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.367 -4.937 -2.777 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.042 -6.818 -3.960 1.00 0.00 N ATOM 0 H ASN A 71 8.570 -7.433 0.606 1.00 0.00 H new ATOM 0 HA ASN A 71 9.095 -4.969 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.202 -7.193 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.796 -7.651 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.426 -6.404 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.708 -7.782 -3.969 1.00 0.00 H new ATOM 1085 N TYR A 72 6.227 -6.245 -1.463 1.00 0.00 N ATOM 1086 CA TYR A 72 4.982 -5.963 -2.167 1.00 0.00 C ATOM 1087 C TYR A 72 4.293 -4.733 -1.585 1.00 0.00 C ATOM 1088 O TYR A 72 3.980 -3.783 -2.303 1.00 0.00 O ATOM 1089 CB TYR A 72 4.045 -7.170 -2.094 1.00 0.00 C ATOM 1090 CG TYR A 72 2.810 -7.031 -2.955 1.00 0.00 C ATOM 1091 CD1 TYR A 72 1.813 -6.119 -2.631 1.00 0.00 C ATOM 1092 CD2 TYR A 72 2.640 -7.812 -4.091 1.00 0.00 C ATOM 1093 CE1 TYR A 72 0.683 -5.989 -3.415 1.00 0.00 C ATOM 1094 CE2 TYR A 72 1.514 -7.688 -4.881 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.538 -6.775 -4.539 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.586 -6.649 -5.323 1.00 0.00 O ATOM 0 H TYR A 72 6.206 -7.090 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 72 5.223 -5.762 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.592 -8.062 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.740 -7.321 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.923 -5.502 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.402 -8.529 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.083 -5.276 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.398 -8.302 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.531 -7.274 -6.076 1.00 0.00 H new ATOM 1106 N LEU A 73 4.060 -4.758 -0.277 1.00 0.00 N ATOM 1107 CA LEU A 73 3.408 -3.645 0.405 1.00 0.00 C ATOM 1108 C LEU A 73 4.183 -2.348 0.195 1.00 0.00 C ATOM 1109 O LEU A 73 3.688 -1.262 0.496 1.00 0.00 O ATOM 1110 CB LEU A 73 3.282 -3.941 1.900 1.00 0.00 C ATOM 1111 CG LEU A 73 2.620 -5.270 2.268 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.808 -5.568 3.747 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.141 -5.246 1.910 1.00 0.00 C ATOM 0 H LEU A 73 4.313 -5.536 0.332 1.00 0.00 H new ATOM 0 HA LEU A 73 2.412 -3.524 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.279 -3.921 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.714 -3.134 2.363 1.00 0.00 H new ATOM 0 HG LEU A 73 3.099 -6.064 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.331 -6.517 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.872 -5.629 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.356 -4.772 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.686 -6.199 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.648 -4.442 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.029 -5.080 0.839 1.00 0.00 H new ATOM 1125 N ILE A 74 5.400 -2.470 -0.324 1.00 0.00 N ATOM 1126 CA ILE A 74 6.242 -1.308 -0.577 1.00 0.00 C ATOM 1127 C ILE A 74 5.950 -0.705 -1.946 1.00 0.00 C ATOM 1128 O ILE A 74 5.768 0.505 -2.076 1.00 0.00 O ATOM 1129 CB ILE A 74 7.738 -1.667 -0.495 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.152 -1.891 0.961 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.581 -0.571 -1.129 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.409 -2.719 1.110 1.00 0.00 C ATOM 0 H ILE A 74 5.825 -3.362 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 74 6.010 -0.576 0.197 1.00 0.00 H new ATOM 0 HB ILE A 74 7.906 -2.592 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.305 -0.924 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.337 -2.384 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.635 -0.839 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.300 -0.456 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.412 0.368 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.643 -2.838 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.254 -3.700 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.237 -2.217 0.609 1.00 0.00 H new ATOM 1144 N GLN A 75 5.905 -1.557 -2.965 1.00 0.00 N ATOM 1145 CA GLN A 75 5.633 -1.108 -4.325 1.00 0.00 C ATOM 1146 C GLN A 75 4.358 -0.273 -4.378 1.00 0.00 C ATOM 1147 O GLN A 75 4.319 0.777 -5.019 1.00 0.00 O ATOM 1148 CB GLN A 75 5.510 -2.308 -5.266 1.00 0.00 C ATOM 1149 CG GLN A 75 6.587 -3.360 -5.054 1.00 0.00 C ATOM 1150 CD GLN A 75 6.852 -4.182 -6.300 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.298 -3.912 -7.366 1.00 0.00 O ATOM 1152 NE2 GLN A 75 7.704 -5.193 -6.172 1.00 0.00 N ATOM 0 H GLN A 75 6.053 -2.562 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 75 6.467 -0.485 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.532 -2.769 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.555 -1.957 -6.297 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.510 -2.872 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.287 -4.023 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.140 -5.381 -5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.922 -5.781 -6.976 1.00 0.00 H new ATOM 1161 N MET A 76 3.318 -0.746 -3.700 1.00 0.00 N ATOM 1162 CA MET A 76 2.041 -0.041 -3.669 1.00 0.00 C ATOM 1163 C MET A 76 2.203 1.352 -3.069 1.00 0.00 C ATOM 1164 O MET A 76 1.660 2.327 -3.586 1.00 0.00 O ATOM 1165 CB MET A 76 1.013 -0.839 -2.865 1.00 0.00 C ATOM 1166 CG MET A 76 1.606 -1.558 -1.664 1.00 0.00 C ATOM 1167 SD MET A 76 0.360 -2.015 -0.444 1.00 0.00 S ATOM 1168 CE MET A 76 -1.046 -2.344 -1.503 1.00 0.00 C ATOM 0 H MET A 76 3.334 -1.614 -3.165 1.00 0.00 H new ATOM 0 HA MET A 76 1.687 0.064 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.228 -0.164 -2.523 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.541 -1.571 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.124 -2.455 -2.002 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.352 -0.917 -1.194 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.798 -2.902 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.473 -1.401 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.724 -2.930 -2.364 1.00 0.00 H new ATOM 1178 N ALA A 77 2.954 1.436 -1.976 1.00 0.00 N ATOM 1179 CA ALA A 77 3.188 2.710 -1.307 1.00 0.00 C ATOM 1180 C ALA A 77 3.798 3.728 -2.264 1.00 0.00 C ATOM 1181 O ALA A 77 3.209 4.777 -2.528 1.00 0.00 O ATOM 1182 CB ALA A 77 4.091 2.513 -0.098 1.00 0.00 C ATOM 0 H ALA A 77 3.411 0.638 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 77 2.227 3.097 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.257 3.472 0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.617 1.825 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.047 2.100 -0.421 1.00 0.00 H new ATOM 1188 N ARG A 78 4.982 3.414 -2.780 1.00 0.00 N ATOM 1189 CA ARG A 78 5.672 4.303 -3.707 1.00 0.00 C ATOM 1190 C ARG A 78 4.731 4.774 -4.812 1.00 0.00 C ATOM 1191 O ARG A 78 4.692 5.959 -5.144 1.00 0.00 O ATOM 1192 CB ARG A 78 6.882 3.595 -4.320 1.00 0.00 C ATOM 1193 CG ARG A 78 7.869 3.071 -3.289 1.00 0.00 C ATOM 1194 CD ARG A 78 8.788 2.016 -3.884 1.00 0.00 C ATOM 1195 NE ARG A 78 9.978 2.606 -4.492 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.713 1.993 -5.412 1.00 0.00 C ATOM 1197 NH1 ARG A 78 10.383 0.779 -5.829 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.782 2.595 -5.918 1.00 0.00 N ATOM 0 H ARG A 78 5.483 2.551 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 78 6.013 5.175 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.534 2.763 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.398 4.287 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.465 3.897 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.325 2.647 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.089 1.316 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.244 1.443 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 78 10.260 3.540 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.562 0.313 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.950 0.311 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.039 3.529 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.346 2.123 -6.625 1.00 0.00 H new ATOM 1212 N TYR A 79 3.975 3.839 -5.376 1.00 0.00 N ATOM 1213 CA TYR A 79 3.036 4.158 -6.445 1.00 0.00 C ATOM 1214 C TYR A 79 1.984 5.153 -5.967 1.00 0.00 C ATOM 1215 O TYR A 79 1.512 5.991 -6.734 1.00 0.00 O ATOM 1216 CB TYR A 79 2.357 2.884 -6.952 1.00 0.00 C ATOM 1217 CG TYR A 79 3.179 2.122 -7.966 1.00 0.00 C ATOM 1218 CD1 TYR A 79 4.519 1.838 -7.731 1.00 0.00 C ATOM 1219 CD2 TYR A 79 2.616 1.683 -9.158 1.00 0.00 C ATOM 1220 CE1 TYR A 79 5.275 1.142 -8.655 1.00 0.00 C ATOM 1221 CE2 TYR A 79 3.363 0.985 -10.087 1.00 0.00 C ATOM 1222 CZ TYR A 79 4.692 0.718 -9.831 1.00 0.00 C ATOM 1223 OH TYR A 79 5.441 0.023 -10.753 1.00 0.00 O ATOM 0 H TYR A 79 3.994 2.854 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 79 3.595 4.614 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.147 2.232 -6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.398 3.147 -7.398 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.978 2.167 -6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.576 1.891 -9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.316 0.931 -8.458 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.909 0.650 -11.008 1.00 0.00 H new ATOM 0 HH TYR A 79 4.881 -0.204 -11.525 1.00 0.00 H new ATOM 1233 N GLY A 80 1.621 5.055 -4.691 1.00 0.00 N ATOM 1234 CA GLY A 80 0.628 5.952 -4.131 1.00 0.00 C ATOM 1235 C GLY A 80 -0.787 5.442 -4.321 1.00 0.00 C ATOM 1236 O GLY A 80 -1.687 6.206 -4.669 1.00 0.00 O ATOM 0 H GLY A 80 1.997 4.370 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.823 6.086 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.723 6.932 -4.598 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.983 4.148 -4.094 1.00 0.00 N ATOM 1241 CA GLN A 81 -2.299 3.537 -4.245 1.00 0.00 C ATOM 1242 C GLN A 81 -2.963 3.333 -2.888 1.00 0.00 C ATOM 1243 O GLN A 81 -4.181 3.460 -2.755 1.00 0.00 O ATOM 1244 CB GLN A 81 -2.182 2.198 -4.975 1.00 0.00 C ATOM 1245 CG GLN A 81 -1.767 2.333 -6.432 1.00 0.00 C ATOM 1246 CD GLN A 81 -2.503 3.450 -7.146 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -3.728 3.427 -7.263 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -1.756 4.437 -7.628 1.00 0.00 N ATOM 0 H GLN A 81 -0.248 3.502 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.919 4.212 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.456 1.573 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.141 1.682 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.694 2.518 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.954 1.391 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.743 4.415 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.195 5.216 -8.118 1.00 0.00 H new ATOM 1257 N LEU A 82 -2.156 3.015 -1.881 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.666 2.792 -0.533 1.00 0.00 C ATOM 1259 C LEU A 82 -3.385 4.032 -0.011 1.00 0.00 C ATOM 1260 O LEU A 82 -4.586 3.998 0.257 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.521 2.419 0.411 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.856 1.065 0.157 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.590 1.084 0.627 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.630 -0.047 0.849 1.00 0.00 C ATOM 0 H LEU A 82 -1.146 2.906 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.380 1.969 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.757 3.194 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.901 2.429 1.433 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.865 0.873 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.047 0.112 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.139 1.854 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.623 1.299 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.143 -1.003 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.654 0.140 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.649 -0.075 0.463 1.00 0.00 H new ATOM 1276 N SER A 83 -2.644 5.126 0.128 1.00 0.00 N ATOM 1277 CA SER A 83 -3.210 6.377 0.618 1.00 0.00 C ATOM 1278 C SER A 83 -3.944 6.160 1.938 1.00 0.00 C ATOM 1279 O SER A 83 -4.865 6.902 2.278 1.00 0.00 O ATOM 1280 CB SER A 83 -4.168 6.969 -0.418 1.00 0.00 C ATOM 1281 OG SER A 83 -3.479 7.322 -1.605 1.00 0.00 O ATOM 0 H SER A 83 -1.649 5.171 -0.092 1.00 0.00 H new ATOM 0 HA SER A 83 -2.391 7.076 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.951 6.247 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.659 7.849 -0.003 1.00 0.00 H new ATOM 0 HG SER A 83 -4.113 7.696 -2.252 1.00 0.00 H new ATOM 1287 N GLU A 84 -3.527 5.137 2.678 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.145 4.822 3.961 1.00 0.00 C ATOM 1289 C GLU A 84 -3.402 3.686 4.658 1.00 0.00 C ATOM 1290 O GLU A 84 -2.507 3.068 4.081 1.00 0.00 O ATOM 1291 CB GLU A 84 -5.614 4.441 3.765 1.00 0.00 C ATOM 1292 CG GLU A 84 -5.808 3.090 3.099 1.00 0.00 C ATOM 1293 CD GLU A 84 -7.163 2.959 2.431 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -7.283 3.352 1.251 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.104 2.464 3.087 1.00 0.00 O ATOM 0 H GLU A 84 -2.765 4.513 2.412 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.089 5.710 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.111 4.433 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.102 5.207 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.025 2.939 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.697 2.302 3.844 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.779 3.416 5.903 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.151 2.354 6.680 1.00 0.00 C ATOM 1304 C LYS A 85 -3.867 1.024 6.463 1.00 0.00 C ATOM 1305 O LYS A 85 -5.065 0.903 6.721 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.157 2.711 8.168 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.172 3.807 8.534 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.959 3.887 10.037 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.217 5.156 10.428 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.342 5.446 11.883 1.00 0.00 N ATOM 0 H LYS A 85 -4.517 3.919 6.396 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.120 2.251 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.161 3.026 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.926 1.818 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.218 3.620 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.539 4.765 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.923 3.857 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.395 3.017 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.163 5.056 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.609 5.997 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.823 6.318 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.345 5.567 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.945 4.655 12.430 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.125 0.029 5.988 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.689 -1.293 5.739 1.00 0.00 C ATOM 1326 C VAL A 86 -4.147 -1.948 7.036 1.00 0.00 C ATOM 1327 O VAL A 86 -3.508 -1.801 8.078 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.670 -2.215 5.042 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.256 -3.605 4.844 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.232 -1.618 3.714 1.00 0.00 C ATOM 0 H VAL A 86 -2.133 0.113 5.768 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.549 -1.153 5.084 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.791 -2.305 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.522 -4.242 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.514 -4.032 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.152 -3.538 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.512 -2.283 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.100 -1.496 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.769 -0.646 3.887 1.00 0.00 H new ATOM 1340 N SER A 87 -5.259 -2.673 6.966 1.00 0.00 N ATOM 1341 CA SER A 87 -5.806 -3.350 8.136 1.00 0.00 C ATOM 1342 C SER A 87 -5.733 -4.865 7.971 1.00 0.00 C ATOM 1343 O SER A 87 -5.553 -5.371 6.865 1.00 0.00 O ATOM 1344 CB SER A 87 -7.256 -2.920 8.369 1.00 0.00 C ATOM 1345 OG SER A 87 -8.100 -3.394 7.334 1.00 0.00 O ATOM 0 H SER A 87 -5.799 -2.807 6.111 1.00 0.00 H new ATOM 0 HA SER A 87 -5.207 -3.067 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.602 -3.302 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.313 -1.833 8.420 1.00 0.00 H new ATOM 0 HG SER A 87 -9.021 -3.108 7.506 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.875 -5.582 9.082 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.824 -7.039 9.061 1.00 0.00 C ATOM 1353 C GLU A 88 -6.434 -7.586 7.774 1.00 0.00 C ATOM 1354 O GLU A 88 -5.776 -8.302 7.019 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.560 -7.615 10.273 1.00 0.00 C ATOM 1356 CG GLU A 88 -6.038 -8.971 10.715 1.00 0.00 C ATOM 1357 CD GLU A 88 -7.098 -9.809 11.402 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -8.162 -10.039 10.791 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.863 -10.235 12.553 1.00 0.00 O ATOM 0 H GLU A 88 -6.026 -5.178 10.006 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.778 -7.341 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.477 -6.915 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.620 -7.703 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.660 -9.511 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.197 -8.829 11.393 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.695 -7.244 7.532 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.395 -7.702 6.337 1.00 0.00 C ATOM 1368 C GLN A 89 -7.549 -7.471 5.089 1.00 0.00 C ATOM 1369 O GLN A 89 -7.285 -8.398 4.325 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.737 -6.983 6.199 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.857 -7.624 7.002 1.00 0.00 C ATOM 1372 CD GLN A 89 -12.140 -6.818 6.962 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.172 -5.706 6.435 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -13.208 -7.376 7.521 1.00 0.00 N ATOM 0 H GLN A 89 -8.253 -6.652 8.147 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.574 -8.772 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.619 -5.947 6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.022 -6.962 5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.049 -8.625 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.537 -7.739 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.137 -8.300 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.099 -6.880 7.524 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.128 -6.225 4.888 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.318 -5.894 3.731 1.00 0.00 C ATOM 1385 C GLY A 90 -5.081 -6.763 3.621 1.00 0.00 C ATOM 1386 O GLY A 90 -4.865 -7.425 2.605 1.00 0.00 O ATOM 0 H GLY A 90 -7.334 -5.440 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.918 -6.005 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.019 -4.847 3.788 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.264 -6.761 4.669 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.040 -7.555 4.687 1.00 0.00 C ATOM 1392 C LEU A 91 -3.310 -8.983 4.225 1.00 0.00 C ATOM 1393 O LEU A 91 -2.774 -9.429 3.210 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.436 -7.566 6.092 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.089 -8.275 6.238 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.055 -7.300 6.010 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.974 -8.924 7.610 1.00 0.00 C ATOM 0 H LEU A 91 -4.427 -6.218 5.517 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.330 -7.098 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.319 -6.534 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.148 -8.039 6.768 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.028 -9.057 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.005 -7.823 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.017 -6.882 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.002 -6.495 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.009 -9.424 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.057 -8.159 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.773 -9.654 7.735 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.145 -9.694 4.975 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.489 -11.070 4.641 1.00 0.00 C ATOM 1411 C ILE A 92 -4.759 -11.222 3.147 1.00 0.00 C ATOM 1412 O ILE A 92 -4.249 -12.140 2.505 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.725 -11.548 5.425 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.470 -11.450 6.931 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.081 -12.975 5.035 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.704 -11.693 7.770 1.00 0.00 C ATOM 0 H ILE A 92 -4.596 -9.339 5.818 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.633 -11.685 4.918 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.567 -10.903 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.703 -12.173 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.074 -10.461 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.957 -13.298 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.300 -13.017 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.242 -13.634 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.448 -11.608 8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.465 -10.954 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.089 -12.693 7.570 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.562 -10.315 2.601 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.898 -10.348 1.183 1.00 0.00 C ATOM 1430 C GLU A 93 -4.642 -10.240 0.323 1.00 0.00 C ATOM 1431 O GLU A 93 -4.539 -10.877 -0.726 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.864 -9.212 0.838 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.247 -9.383 1.445 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.337 -8.753 0.600 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.538 -9.210 -0.544 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.987 -7.803 1.083 1.00 0.00 O ATOM 0 H GLU A 93 -5.992 -9.549 3.119 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.381 -11.303 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.440 -8.269 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.958 -9.143 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.457 -10.446 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.261 -8.938 2.440 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.691 -9.431 0.775 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.441 -9.240 0.049 1.00 0.00 C ATOM 1445 C ILE A 94 -1.583 -10.500 0.091 1.00 0.00 C ATOM 1446 O ILE A 94 -0.961 -10.874 -0.904 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.632 -8.061 0.620 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.450 -6.770 0.550 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.320 -7.905 -0.134 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.778 -5.592 1.219 1.00 0.00 C ATOM 0 H ILE A 94 -3.762 -8.897 1.641 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.707 -9.019 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.405 -8.268 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.638 -6.525 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.420 -6.938 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.241 -7.068 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.267 -8.819 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.526 -7.717 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.415 -4.712 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.614 -5.817 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.820 -5.397 0.736 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.556 -11.151 1.248 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.775 -12.372 1.421 1.00 0.00 C ATOM 1464 C LEU A 95 -1.162 -13.418 0.381 1.00 0.00 C ATOM 1465 O LEU A 95 -0.402 -14.345 0.103 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.978 -12.936 2.828 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.334 -12.145 3.968 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.842 -12.638 5.314 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.183 -12.248 3.898 1.00 0.00 C ATOM 0 H LEU A 95 -2.065 -10.855 2.081 1.00 0.00 H new ATOM 0 HA LEU A 95 0.277 -12.123 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.049 -13.004 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.585 -13.952 2.850 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.613 -11.097 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.373 -12.064 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.924 -12.512 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.594 -13.693 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.624 -11.679 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.481 -13.293 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.532 -11.845 2.947 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.350 -13.262 -0.194 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.839 -14.190 -1.206 1.00 0.00 C ATOM 1483 C LYS A 96 -2.723 -13.584 -2.601 1.00 0.00 C ATOM 1484 O LYS A 96 -3.410 -14.004 -3.532 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.295 -14.567 -0.922 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.519 -15.116 0.476 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.934 -14.849 0.960 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.071 -15.107 2.453 1.00 0.00 C ATOM 1489 NZ LYS A 96 -6.275 -16.552 2.749 1.00 0.00 N ATOM 0 H LYS A 96 -2.992 -12.500 0.024 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.223 -15.089 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.923 -13.688 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.618 -15.310 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.328 -16.189 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.806 -14.662 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.205 -13.816 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.632 -15.484 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.177 -14.754 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.911 -14.534 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.364 -16.687 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.142 -16.883 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.462 -17.097 2.398 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.847 -12.594 -2.740 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.638 -11.931 -4.022 1.00 0.00 C ATOM 1505 C LYS A 97 -0.165 -11.959 -4.415 1.00 0.00 C ATOM 1506 O LYS A 97 0.186 -12.373 -5.520 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.132 -10.484 -3.958 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.641 -10.362 -3.836 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.115 -8.957 -4.168 1.00 0.00 C ATOM 1510 CE LYS A 97 -5.584 -8.943 -4.563 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.471 -9.276 -3.414 1.00 0.00 N ATOM 0 H LYS A 97 -1.270 -12.233 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.208 -12.470 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.666 -9.987 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.804 -9.957 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.120 -11.076 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.947 -10.620 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.963 -8.307 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.514 -8.552 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.846 -7.959 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.750 -9.658 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.463 -9.256 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.238 -10.226 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.332 -8.579 -2.655 1.00 0.00 H new ATOM 1525 N VAL A 98 0.695 -11.518 -3.502 1.00 0.00 N ATOM 1526 CA VAL A 98 2.131 -11.495 -3.753 1.00 0.00 C ATOM 1527 C VAL A 98 2.642 -12.876 -4.149 1.00 0.00 C ATOM 1528 O VAL A 98 3.687 -13.003 -4.787 1.00 0.00 O ATOM 1529 CB VAL A 98 2.909 -11.008 -2.516 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.469 -11.768 -1.274 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.407 -11.154 -2.737 1.00 0.00 C ATOM 0 H VAL A 98 0.422 -11.172 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 98 2.297 -10.799 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 98 2.688 -9.952 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.030 -11.410 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.404 -11.607 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.658 -12.833 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.941 -10.805 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.648 -12.202 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.707 -10.560 -3.600 1.00 0.00 H new