USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 840 MET CE :methyl -145:sc= -1.78 (180deg=-0.864) USER MOD Set 1.2: A 881 MET CE :methyl -127:sc= -1.6 (180deg=-2.29) USER MOD Set 2.1: A 845 THR OG1 : rot -90:sc= 1.13 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.965 K(o=2.1,f=-1.3) USER MOD Set 3.1: A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 893 TYR OH : rot 30:sc= -1.59 USER MOD Single : A 829 GLN : amide:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.22) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ -122:sc= 0.158 (180deg=0) USER MOD Single : A 847 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 848 HIS : no HD1:sc= -3.85! C(o=-3.8!,f=-5.3!) USER MOD Single : A 849 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 858 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.1!) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 874 SER OG : rot 95:sc= 0.0611 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ -155:sc= 0.558 (180deg=0.248) USER MOD Single : A 887 ASN : amide:sc= -3.96! C(o=-4!,f=-13!) USER MOD Single : A 889 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 890 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.98) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.715 6.460 11.628 1.00 0.00 N ATOM 387 CA ARG A 828 3.959 6.498 10.869 1.00 0.00 C ATOM 388 C ARG A 828 4.661 5.144 10.907 1.00 0.00 C ATOM 389 O ARG A 828 4.696 4.424 9.909 1.00 0.00 O ATOM 390 CB ARG A 828 4.886 7.582 11.422 1.00 0.00 C ATOM 391 CG ARG A 828 4.295 8.980 11.359 1.00 0.00 C ATOM 392 CD ARG A 828 4.596 9.653 10.029 1.00 0.00 C ATOM 393 NE ARG A 828 3.605 10.672 9.693 1.00 0.00 N ATOM 394 CZ ARG A 828 3.479 11.819 10.350 1.00 0.00 C ATOM 395 NH1 ARG A 828 4.277 12.093 11.372 1.00 0.00 N ATOM 396 NH2 ARG A 828 2.552 12.696 9.984 1.00 0.00 N ATOM 0 HA ARG A 828 3.716 6.732 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.129 7.346 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 828 5.822 7.567 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.216 8.927 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 828 4.698 9.583 12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 828 5.585 10.109 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 828 4.624 8.901 9.241 1.00 0.00 H new ATOM 0 HE ARG A 828 2.975 10.493 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 828 4.991 11.422 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.178 12.975 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 828 1.936 12.489 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 828 2.456 13.577 10.489 1.00 0.00 H new ATOM 410 N GLN A 829 5.221 4.806 12.064 1.00 0.00 N ATOM 411 CA GLN A 829 5.923 3.539 12.231 1.00 0.00 C ATOM 412 C GLN A 829 5.193 2.412 11.509 1.00 0.00 C ATOM 413 O GLN A 829 5.813 1.459 11.037 1.00 0.00 O ATOM 414 CB GLN A 829 6.064 3.202 13.716 1.00 0.00 C ATOM 415 CG GLN A 829 4.749 2.833 14.384 1.00 0.00 C ATOM 416 CD GLN A 829 4.936 1.902 15.565 1.00 0.00 C ATOM 417 OE1 GLN A 829 4.602 2.245 16.700 1.00 0.00 O ATOM 418 NE2 GLN A 829 5.471 0.714 15.305 1.00 0.00 N ATOM 0 H GLN A 829 5.202 5.391 12.899 1.00 0.00 H new ATOM 0 HA GLN A 829 6.916 3.643 11.793 1.00 0.00 H new ATOM 0 HB2 GLN A 829 6.763 2.373 13.827 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.498 4.057 14.234 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.248 3.742 14.718 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.095 2.359 13.652 1.00 0.00 H new ATOM 0 HE21 GLN A 829 5.733 0.471 14.350 1.00 0.00 H new ATOM 0 HE22 GLN A 829 5.619 0.045 16.061 1.00 0.00 H new ATOM 427 N TYR A 830 3.872 2.528 11.426 1.00 0.00 N ATOM 428 CA TYR A 830 3.056 1.517 10.764 1.00 0.00 C ATOM 429 C TYR A 830 3.131 1.665 9.247 1.00 0.00 C ATOM 430 O TYR A 830 3.187 0.674 8.519 1.00 0.00 O ATOM 431 CB TYR A 830 1.602 1.621 11.227 1.00 0.00 C ATOM 432 CG TYR A 830 1.346 0.974 12.569 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.358 -0.408 12.710 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.091 1.745 13.697 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.124 -1.004 13.934 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.857 1.158 14.925 1.00 0.00 C ATOM 437 CZ TYR A 830 0.875 -0.216 15.039 1.00 0.00 C ATOM 438 OH TYR A 830 0.641 -0.805 16.261 1.00 0.00 O ATOM 0 H TYR A 830 3.344 3.312 11.809 1.00 0.00 H new ATOM 0 HA TYR A 830 3.447 0.536 11.035 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.321 2.673 11.281 1.00 0.00 H new ATOM 0 HB3 TYR A 830 0.958 1.157 10.480 1.00 0.00 H new ATOM 0 HD1 TYR A 830 1.554 -1.027 11.847 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.076 2.822 13.612 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.136 -2.080 14.026 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.661 1.772 15.792 1.00 0.00 H new ATOM 0 HH TYR A 830 0.484 -0.110 16.934 1.00 0.00 H new ATOM 448 N GLN A 831 3.132 2.909 8.780 1.00 0.00 N ATOM 449 CA GLN A 831 3.199 3.187 7.350 1.00 0.00 C ATOM 450 C GLN A 831 4.489 2.638 6.749 1.00 0.00 C ATOM 451 O GLN A 831 4.471 1.997 5.698 1.00 0.00 O ATOM 452 CB GLN A 831 3.106 4.693 7.098 1.00 0.00 C ATOM 453 CG GLN A 831 1.678 5.208 7.011 1.00 0.00 C ATOM 454 CD GLN A 831 0.918 4.626 5.836 1.00 0.00 C ATOM 455 OE1 GLN A 831 1.076 5.070 4.698 1.00 0.00 O ATOM 456 NE2 GLN A 831 0.087 3.626 6.105 1.00 0.00 N ATOM 0 H GLN A 831 3.087 3.740 9.370 1.00 0.00 H new ATOM 0 HA GLN A 831 2.356 2.692 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.625 5.220 7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.626 4.931 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.152 4.966 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.692 6.295 6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.013 3.290 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.451 3.194 5.354 1.00 0.00 H new ATOM 465 N ILE A 832 5.605 2.894 7.422 1.00 0.00 N ATOM 466 CA ILE A 832 6.904 2.424 6.954 1.00 0.00 C ATOM 467 C ILE A 832 7.028 0.912 7.104 1.00 0.00 C ATOM 468 O ILE A 832 7.313 0.203 6.139 1.00 0.00 O ATOM 469 CB ILE A 832 8.056 3.101 7.719 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.083 4.601 7.422 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.385 2.459 7.351 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.948 5.365 8.068 1.00 0.00 C ATOM 0 H ILE A 832 5.637 3.424 8.293 1.00 0.00 H new ATOM 0 HA ILE A 832 6.974 2.689 5.899 1.00 0.00 H new ATOM 0 HB ILE A 832 7.892 2.965 8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.031 5.014 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 832 8.043 4.750 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.190 2.948 7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.361 1.400 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.558 2.568 6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.030 6.422 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.996 4.978 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 832 6.999 5.246 9.150 1.00 0.00 H new ATOM 484 N ASP A 833 6.810 0.423 8.321 1.00 0.00 N ATOM 485 CA ASP A 833 6.894 -1.006 8.597 1.00 0.00 C ATOM 486 C ASP A 833 5.935 -1.789 7.706 1.00 0.00 C ATOM 487 O ASP A 833 6.273 -2.862 7.207 1.00 0.00 O ATOM 488 CB ASP A 833 6.583 -1.281 10.069 1.00 0.00 C ATOM 489 CG ASP A 833 7.770 -1.010 10.973 1.00 0.00 C ATOM 490 OD1 ASP A 833 8.878 -1.490 10.655 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.590 -0.319 11.998 1.00 0.00 O ATOM 0 H ASP A 833 6.574 0.996 9.131 1.00 0.00 H new ATOM 0 HA ASP A 833 7.911 -1.334 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 833 5.743 -0.661 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 833 6.272 -2.320 10.184 1.00 0.00 H new ATOM 496 N ALA A 834 4.738 -1.246 7.513 1.00 0.00 N ATOM 497 CA ALA A 834 3.731 -1.893 6.682 1.00 0.00 C ATOM 498 C ALA A 834 4.233 -2.078 5.254 1.00 0.00 C ATOM 499 O ALA A 834 4.287 -3.197 4.745 1.00 0.00 O ATOM 500 CB ALA A 834 2.442 -1.085 6.689 1.00 0.00 C ATOM 0 H ALA A 834 4.442 -0.359 7.921 1.00 0.00 H new ATOM 0 HA ALA A 834 3.531 -2.880 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.699 -1.580 6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.066 -1.009 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.637 -0.086 6.299 1.00 0.00 H new ATOM 506 N ALA A 835 4.600 -0.973 4.613 1.00 0.00 N ATOM 507 CA ALA A 835 5.099 -1.015 3.244 1.00 0.00 C ATOM 508 C ALA A 835 6.217 -2.042 3.098 1.00 0.00 C ATOM 509 O ALA A 835 6.318 -2.721 2.076 1.00 0.00 O ATOM 510 CB ALA A 835 5.586 0.362 2.818 1.00 0.00 C ATOM 0 H ALA A 835 4.561 -0.038 5.020 1.00 0.00 H new ATOM 0 HA ALA A 835 4.278 -1.316 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.956 0.316 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.762 1.073 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.390 0.685 3.480 1.00 0.00 H new ATOM 516 N ILE A 836 7.053 -2.149 4.125 1.00 0.00 N ATOM 517 CA ILE A 836 8.163 -3.093 4.110 1.00 0.00 C ATOM 518 C ILE A 836 7.660 -4.533 4.134 1.00 0.00 C ATOM 519 O ILE A 836 7.873 -5.292 3.189 1.00 0.00 O ATOM 520 CB ILE A 836 9.108 -2.871 5.306 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.750 -1.484 5.226 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.176 -3.954 5.346 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.349 -1.020 6.535 1.00 0.00 C ATOM 0 H ILE A 836 6.983 -1.594 4.978 1.00 0.00 H new ATOM 0 HA ILE A 836 8.714 -2.918 3.186 1.00 0.00 H new ATOM 0 HB ILE A 836 8.526 -2.929 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.529 -1.496 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.999 -0.763 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 836 10.836 -3.783 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.701 -4.930 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.757 -3.926 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.786 -0.030 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.570 -0.975 7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.123 -1.720 6.849 1.00 0.00 H new ATOM 535 N VAL A 837 6.990 -4.902 5.222 1.00 0.00 N ATOM 536 CA VAL A 837 6.454 -6.249 5.369 1.00 0.00 C ATOM 537 C VAL A 837 5.700 -6.680 4.116 1.00 0.00 C ATOM 538 O VAL A 837 5.882 -7.793 3.621 1.00 0.00 O ATOM 539 CB VAL A 837 5.510 -6.348 6.582 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.914 -7.744 6.682 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.247 -5.982 7.861 1.00 0.00 C ATOM 0 H VAL A 837 6.806 -4.286 6.014 1.00 0.00 H new ATOM 0 HA VAL A 837 7.304 -6.913 5.524 1.00 0.00 H new ATOM 0 HB VAL A 837 4.694 -5.639 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.250 -7.795 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.350 -7.964 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.715 -8.474 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.565 -6.057 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.084 -6.665 8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.621 -4.961 7.786 1.00 0.00 H new ATOM 551 N ARG A 838 4.853 -5.792 3.606 1.00 0.00 N ATOM 552 CA ARG A 838 4.070 -6.080 2.411 1.00 0.00 C ATOM 553 C ARG A 838 4.981 -6.349 1.216 1.00 0.00 C ATOM 554 O ARG A 838 5.001 -7.454 0.674 1.00 0.00 O ATOM 555 CB ARG A 838 3.130 -4.915 2.097 1.00 0.00 C ATOM 556 CG ARG A 838 2.039 -4.716 3.136 1.00 0.00 C ATOM 557 CD ARG A 838 1.085 -3.601 2.736 1.00 0.00 C ATOM 558 NE ARG A 838 -0.197 -3.705 3.427 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.105 -4.636 3.156 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.871 -5.540 2.215 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.249 -4.665 3.828 1.00 0.00 N ATOM 0 H ARG A 838 4.692 -4.866 4.002 1.00 0.00 H new ATOM 0 HA ARG A 838 3.477 -6.974 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.715 -3.999 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.667 -5.084 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.482 -5.644 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.491 -4.481 4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.540 -2.636 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.920 -3.634 1.659 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.407 -3.025 4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 838 0.008 -5.522 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.570 -6.254 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.432 -3.972 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.945 -5.380 3.619 1.00 0.00 H new ATOM 575 N ILE A 839 5.733 -5.331 0.811 1.00 0.00 N ATOM 576 CA ILE A 839 6.646 -5.457 -0.318 1.00 0.00 C ATOM 577 C ILE A 839 7.459 -6.743 -0.226 1.00 0.00 C ATOM 578 O ILE A 839 7.440 -7.569 -1.139 1.00 0.00 O ATOM 579 CB ILE A 839 7.609 -4.258 -0.400 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.833 -2.971 -0.688 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.663 -4.498 -1.471 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.500 -1.728 -0.142 1.00 0.00 C ATOM 0 H ILE A 839 5.728 -4.409 1.248 1.00 0.00 H new ATOM 0 HA ILE A 839 6.033 -5.482 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 839 8.113 -4.149 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.710 -2.864 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.834 -3.055 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.336 -3.642 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.232 -5.395 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.176 -4.629 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.895 -0.854 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.599 -1.813 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.488 -1.619 -0.589 1.00 0.00 H new ATOM 594 N MET A 840 8.172 -6.908 0.884 1.00 0.00 N ATOM 595 CA MET A 840 8.991 -8.096 1.097 1.00 0.00 C ATOM 596 C MET A 840 8.174 -9.365 0.878 1.00 0.00 C ATOM 597 O MET A 840 8.517 -10.201 0.042 1.00 0.00 O ATOM 598 CB MET A 840 9.578 -8.090 2.510 1.00 0.00 C ATOM 599 CG MET A 840 10.561 -6.957 2.754 1.00 0.00 C ATOM 600 SD MET A 840 11.015 -6.795 4.492 1.00 0.00 S ATOM 601 CE MET A 840 12.688 -6.170 4.348 1.00 0.00 C ATOM 0 H MET A 840 8.199 -6.234 1.649 1.00 0.00 H new ATOM 0 HA MET A 840 9.806 -8.080 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 840 8.765 -8.017 3.232 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.080 -9.041 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.460 -7.127 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.124 -6.021 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.298 -6.575 5.155 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.108 -6.472 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 840 12.677 -5.082 4.412 1.00 0.00 H new ATOM 611 N LYS A 841 7.090 -9.504 1.635 1.00 0.00 N ATOM 612 CA LYS A 841 6.223 -10.671 1.524 1.00 0.00 C ATOM 613 C LYS A 841 6.097 -11.119 0.071 1.00 0.00 C ATOM 614 O LYS A 841 6.522 -12.217 -0.288 1.00 0.00 O ATOM 615 CB LYS A 841 4.837 -10.358 2.094 1.00 0.00 C ATOM 616 CG LYS A 841 3.803 -11.431 1.802 1.00 0.00 C ATOM 617 CD LYS A 841 3.798 -12.507 2.875 1.00 0.00 C ATOM 618 CE LYS A 841 2.794 -13.605 2.558 1.00 0.00 C ATOM 619 NZ LYS A 841 3.093 -14.861 3.301 1.00 0.00 N ATOM 0 H LYS A 841 6.791 -8.822 2.332 1.00 0.00 H new ATOM 0 HA LYS A 841 6.671 -11.482 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 841 4.918 -10.228 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.490 -9.410 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 841 2.814 -10.977 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.011 -11.884 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 841 4.795 -12.939 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.557 -12.060 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.790 -13.263 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.802 -13.806 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.387 -15.585 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 4.041 -15.201 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.061 -14.675 4.324 1.00 0.00 H new ATOM 633 N MET A 842 5.513 -10.262 -0.759 1.00 0.00 N ATOM 634 CA MET A 842 5.335 -10.570 -2.174 1.00 0.00 C ATOM 635 C MET A 842 6.667 -10.931 -2.824 1.00 0.00 C ATOM 636 O MET A 842 6.754 -11.887 -3.593 1.00 0.00 O ATOM 637 CB MET A 842 4.705 -9.380 -2.901 1.00 0.00 C ATOM 638 CG MET A 842 3.220 -9.216 -2.624 1.00 0.00 C ATOM 639 SD MET A 842 2.197 -10.259 -3.681 1.00 0.00 S ATOM 640 CE MET A 842 1.479 -11.367 -2.470 1.00 0.00 C ATOM 0 H MET A 842 5.155 -9.349 -0.477 1.00 0.00 H new ATOM 0 HA MET A 842 4.669 -11.429 -2.252 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.224 -8.468 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.855 -9.499 -3.974 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.020 -9.457 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 842 2.940 -8.173 -2.770 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.819 -12.075 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 842 2.273 -11.911 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.908 -10.790 -1.743 1.00 0.00 H new ATOM 650 N ARG A 843 7.702 -10.159 -2.509 1.00 0.00 N ATOM 651 CA ARG A 843 9.029 -10.397 -3.064 1.00 0.00 C ATOM 652 C ARG A 843 9.892 -11.193 -2.088 1.00 0.00 C ATOM 653 O ARG A 843 10.527 -10.627 -1.199 1.00 0.00 O ATOM 654 CB ARG A 843 9.712 -9.069 -3.397 1.00 0.00 C ATOM 655 CG ARG A 843 8.877 -8.162 -4.286 1.00 0.00 C ATOM 656 CD ARG A 843 8.924 -8.608 -5.739 1.00 0.00 C ATOM 657 NE ARG A 843 8.045 -9.747 -5.990 1.00 0.00 N ATOM 658 CZ ARG A 843 6.734 -9.637 -6.172 1.00 0.00 C ATOM 659 NH1 ARG A 843 6.153 -8.446 -6.131 1.00 0.00 N ATOM 660 NH2 ARG A 843 6.001 -10.720 -6.397 1.00 0.00 N ATOM 0 H ARG A 843 7.647 -9.364 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 843 8.913 -10.978 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 843 9.940 -8.545 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.663 -9.272 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.844 -8.161 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.241 -7.138 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.634 -7.778 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.947 -8.874 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 843 8.461 -10.678 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 843 6.713 -7.611 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 843 5.146 -8.365 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 843 6.444 -11.638 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 843 4.994 -10.634 -6.537 1.00 0.00 H new ATOM 674 N LYS A 844 9.908 -12.511 -2.261 1.00 0.00 N ATOM 675 CA LYS A 844 10.692 -13.386 -1.398 1.00 0.00 C ATOM 676 C LYS A 844 11.993 -12.712 -0.977 1.00 0.00 C ATOM 677 O LYS A 844 12.300 -12.617 0.212 1.00 0.00 O ATOM 678 CB LYS A 844 10.996 -14.704 -2.115 1.00 0.00 C ATOM 679 CG LYS A 844 9.755 -15.433 -2.600 1.00 0.00 C ATOM 680 CD LYS A 844 8.828 -15.784 -1.449 1.00 0.00 C ATOM 681 CE LYS A 844 7.797 -14.692 -1.210 1.00 0.00 C ATOM 682 NZ LYS A 844 6.671 -14.770 -2.182 1.00 0.00 N ATOM 0 H LYS A 844 9.387 -12.996 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 844 10.105 -13.593 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.645 -14.503 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.549 -15.356 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 844 9.224 -14.810 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 844 10.048 -16.343 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 844 8.320 -16.724 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.414 -15.937 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 844 7.407 -14.776 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.277 -13.716 -1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.599 -13.873 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.844 -15.546 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 5.783 -14.946 -1.671 1.00 0.00 H new ATOM 696 N THR A 845 12.756 -12.243 -1.960 1.00 0.00 N ATOM 697 CA THR A 845 14.025 -11.577 -1.691 1.00 0.00 C ATOM 698 C THR A 845 14.075 -10.203 -2.349 1.00 0.00 C ATOM 699 O THR A 845 13.688 -10.044 -3.507 1.00 0.00 O ATOM 700 CB THR A 845 15.216 -12.416 -2.190 1.00 0.00 C ATOM 701 OG1 THR A 845 15.198 -13.709 -1.574 1.00 0.00 O ATOM 702 CG2 THR A 845 16.534 -11.721 -1.882 1.00 0.00 C ATOM 0 H THR A 845 12.517 -12.312 -2.949 1.00 0.00 H new ATOM 0 HA THR A 845 14.099 -11.462 -0.610 1.00 0.00 H new ATOM 0 HB THR A 845 15.125 -12.528 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.714 -13.682 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.361 -12.332 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.557 -10.750 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.629 -11.582 -0.805 1.00 0.00 H new ATOM 710 N LEU A 846 14.554 -9.213 -1.604 1.00 0.00 N ATOM 711 CA LEU A 846 14.655 -7.851 -2.116 1.00 0.00 C ATOM 712 C LEU A 846 15.860 -7.132 -1.517 1.00 0.00 C ATOM 713 O LEU A 846 16.262 -7.410 -0.387 1.00 0.00 O ATOM 714 CB LEU A 846 13.376 -7.072 -1.805 1.00 0.00 C ATOM 715 CG LEU A 846 13.000 -5.973 -2.801 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.582 -6.579 -4.131 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.889 -5.099 -2.237 1.00 0.00 C ATOM 0 H LEU A 846 14.878 -9.328 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 846 14.787 -7.904 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.549 -7.779 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.480 -6.620 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 846 13.876 -5.347 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.318 -5.783 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.408 -7.161 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.720 -7.229 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.635 -4.323 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.010 -5.712 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.226 -4.636 -1.310 1.00 0.00 H new ATOM 729 N SER A 847 16.430 -6.206 -2.281 1.00 0.00 N ATOM 730 CA SER A 847 17.590 -5.448 -1.827 1.00 0.00 C ATOM 731 C SER A 847 17.187 -4.037 -1.409 1.00 0.00 C ATOM 732 O SER A 847 16.225 -3.473 -1.931 1.00 0.00 O ATOM 733 CB SER A 847 18.647 -5.383 -2.930 1.00 0.00 C ATOM 734 OG SER A 847 18.119 -4.800 -4.109 1.00 0.00 O ATOM 0 H SER A 847 16.107 -5.962 -3.217 1.00 0.00 H new ATOM 0 HA SER A 847 18.011 -5.959 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 847 19.502 -4.802 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.011 -6.387 -3.149 1.00 0.00 H new ATOM 0 HG SER A 847 18.815 -4.768 -4.798 1.00 0.00 H new ATOM 740 N HIS A 848 17.931 -3.472 -0.463 1.00 0.00 N ATOM 741 CA HIS A 848 17.652 -2.126 0.026 1.00 0.00 C ATOM 742 C HIS A 848 17.147 -1.232 -1.102 1.00 0.00 C ATOM 743 O HIS A 848 16.090 -0.613 -0.990 1.00 0.00 O ATOM 744 CB HIS A 848 18.908 -1.518 0.651 1.00 0.00 C ATOM 745 CG HIS A 848 18.684 -0.163 1.250 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.510 0.043 2.602 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.607 1.058 0.671 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.335 1.332 2.829 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.389 1.970 1.674 1.00 0.00 N ATOM 0 H HIS A 848 18.731 -3.925 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 848 16.874 -2.196 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.281 -2.190 1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.684 -1.446 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.700 1.274 -0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.175 1.787 3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.286 2.977 1.548 1.00 0.00 H new ATOM 757 N ASN A 849 17.912 -1.168 -2.188 1.00 0.00 N ATOM 758 CA ASN A 849 17.542 -0.349 -3.336 1.00 0.00 C ATOM 759 C ASN A 849 16.071 -0.542 -3.691 1.00 0.00 C ATOM 760 O ASN A 849 15.296 0.416 -3.715 1.00 0.00 O ATOM 761 CB ASN A 849 18.419 -0.696 -4.541 1.00 0.00 C ATOM 762 CG ASN A 849 18.404 0.390 -5.599 1.00 0.00 C ATOM 763 OD1 ASN A 849 19.068 1.417 -5.460 1.00 0.00 O ATOM 764 ND2 ASN A 849 17.644 0.167 -6.665 1.00 0.00 N ATOM 0 H ASN A 849 18.791 -1.673 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 849 17.699 0.696 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.443 -0.859 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.074 -1.632 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 849 17.594 0.862 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 849 17.110 -0.699 -6.739 1.00 0.00 H new ATOM 771 N LEU A 850 15.692 -1.785 -3.965 1.00 0.00 N ATOM 772 CA LEU A 850 14.314 -2.105 -4.319 1.00 0.00 C ATOM 773 C LEU A 850 13.370 -1.800 -3.160 1.00 0.00 C ATOM 774 O LEU A 850 12.373 -1.096 -3.325 1.00 0.00 O ATOM 775 CB LEU A 850 14.196 -3.578 -4.714 1.00 0.00 C ATOM 776 CG LEU A 850 14.403 -3.894 -6.195 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.471 -3.056 -7.055 1.00 0.00 C ATOM 778 CD2 LEU A 850 15.853 -3.661 -6.593 1.00 0.00 C ATOM 0 H LEU A 850 16.320 -2.588 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 850 14.030 -1.484 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 850 14.924 -4.148 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.208 -3.934 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 850 14.167 -4.946 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 850 13.633 -3.295 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.437 -3.273 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.674 -1.998 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 850 15.981 -3.891 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.116 -2.619 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.501 -4.306 -6.000 1.00 0.00 H new ATOM 790 N LEU A 851 13.691 -2.333 -1.986 1.00 0.00 N ATOM 791 CA LEU A 851 12.873 -2.117 -0.798 1.00 0.00 C ATOM 792 C LEU A 851 12.507 -0.644 -0.650 1.00 0.00 C ATOM 793 O LEU A 851 11.360 -0.253 -0.867 1.00 0.00 O ATOM 794 CB LEU A 851 13.615 -2.598 0.451 1.00 0.00 C ATOM 795 CG LEU A 851 12.867 -2.448 1.776 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.631 -3.334 1.794 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.782 -2.781 2.945 1.00 0.00 C ATOM 0 H LEU A 851 14.512 -2.918 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 851 11.954 -2.692 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.868 -3.650 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.555 -2.051 0.524 1.00 0.00 H new ATOM 0 HG LEU A 851 12.547 -1.411 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.111 -3.214 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 851 10.967 -3.048 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.928 -4.376 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.233 -2.669 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.133 -3.809 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.636 -2.104 2.943 1.00 0.00 H new ATOM 809 N VAL A 852 13.490 0.171 -0.280 1.00 0.00 N ATOM 810 CA VAL A 852 13.273 1.602 -0.106 1.00 0.00 C ATOM 811 C VAL A 852 12.464 2.179 -1.262 1.00 0.00 C ATOM 812 O VAL A 852 11.539 2.966 -1.055 1.00 0.00 O ATOM 813 CB VAL A 852 14.607 2.364 0.003 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.470 1.774 1.107 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.342 2.342 -1.329 1.00 0.00 C ATOM 0 H VAL A 852 14.445 -0.136 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 852 12.716 1.727 0.822 1.00 0.00 H new ATOM 0 HB VAL A 852 14.393 3.402 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.408 2.325 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.943 1.846 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.678 0.727 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.282 2.885 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.546 1.310 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.725 2.815 -2.093 1.00 0.00 H new ATOM 825 N SER A 853 12.817 1.783 -2.481 1.00 0.00 N ATOM 826 CA SER A 853 12.126 2.264 -3.671 1.00 0.00 C ATOM 827 C SER A 853 10.629 1.980 -3.582 1.00 0.00 C ATOM 828 O SER A 853 9.816 2.901 -3.523 1.00 0.00 O ATOM 829 CB SER A 853 12.707 1.607 -4.925 1.00 0.00 C ATOM 830 OG SER A 853 12.373 2.343 -6.088 1.00 0.00 O ATOM 0 H SER A 853 13.578 1.130 -2.670 1.00 0.00 H new ATOM 0 HA SER A 853 12.271 3.342 -3.734 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.791 1.537 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.329 0.589 -5.014 1.00 0.00 H new ATOM 0 HG SER A 853 12.757 1.903 -6.875 1.00 0.00 H new ATOM 836 N GLU A 854 10.276 0.699 -3.574 1.00 0.00 N ATOM 837 CA GLU A 854 8.877 0.294 -3.493 1.00 0.00 C ATOM 838 C GLU A 854 8.164 1.023 -2.357 1.00 0.00 C ATOM 839 O GLU A 854 7.068 1.553 -2.537 1.00 0.00 O ATOM 840 CB GLU A 854 8.773 -1.219 -3.288 1.00 0.00 C ATOM 841 CG GLU A 854 9.183 -2.028 -4.506 1.00 0.00 C ATOM 842 CD GLU A 854 8.447 -3.350 -4.603 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.199 -3.332 -4.648 1.00 0.00 O ATOM 844 OE2 GLU A 854 9.118 -4.403 -4.635 1.00 0.00 O ATOM 0 H GLU A 854 10.938 -0.076 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 854 8.393 0.561 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.400 -1.507 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.746 -1.472 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 854 8.993 -1.444 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 854 10.256 -2.216 -4.468 1.00 0.00 H new ATOM 851 N VAL A 855 8.795 1.044 -1.188 1.00 0.00 N ATOM 852 CA VAL A 855 8.223 1.708 -0.022 1.00 0.00 C ATOM 853 C VAL A 855 7.757 3.118 -0.367 1.00 0.00 C ATOM 854 O VAL A 855 6.607 3.481 -0.117 1.00 0.00 O ATOM 855 CB VAL A 855 9.236 1.783 1.135 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.711 2.676 2.249 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.548 0.389 1.660 1.00 0.00 C ATOM 0 H VAL A 855 9.703 0.609 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 855 7.367 1.112 0.293 1.00 0.00 H new ATOM 0 HB VAL A 855 10.160 2.220 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.441 2.716 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.543 3.681 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.772 2.272 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.266 0.460 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.631 -0.077 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.971 -0.216 0.858 1.00 0.00 H new ATOM 867 N TYR A 856 8.656 3.909 -0.942 1.00 0.00 N ATOM 868 CA TYR A 856 8.338 5.280 -1.319 1.00 0.00 C ATOM 869 C TYR A 856 7.119 5.325 -2.235 1.00 0.00 C ATOM 870 O TYR A 856 6.240 6.171 -2.077 1.00 0.00 O ATOM 871 CB TYR A 856 9.536 5.931 -2.014 1.00 0.00 C ATOM 872 CG TYR A 856 10.778 5.986 -1.154 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.750 6.568 0.107 1.00 0.00 C ATOM 874 CD2 TYR A 856 11.981 5.454 -1.603 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.883 6.621 0.895 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.119 5.501 -0.821 1.00 0.00 C ATOM 877 CZ TYR A 856 13.065 6.086 0.427 1.00 0.00 C ATOM 878 OH TYR A 856 14.196 6.135 1.210 1.00 0.00 O ATOM 0 H TYR A 856 9.611 3.623 -1.157 1.00 0.00 H new ATOM 0 HA TYR A 856 8.107 5.835 -0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 856 9.760 5.379 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.266 6.944 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.826 6.986 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.027 4.996 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.844 7.079 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.046 5.082 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 856 14.942 5.714 0.734 1.00 0.00 H new ATOM 888 N ASN A 857 7.073 4.405 -3.193 1.00 0.00 N ATOM 889 CA ASN A 857 5.962 4.338 -4.135 1.00 0.00 C ATOM 890 C ASN A 857 4.642 4.112 -3.405 1.00 0.00 C ATOM 891 O ASN A 857 3.592 4.581 -3.842 1.00 0.00 O ATOM 892 CB ASN A 857 6.194 3.216 -5.150 1.00 0.00 C ATOM 893 CG ASN A 857 4.980 2.966 -6.023 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.700 3.727 -6.950 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.251 1.895 -5.730 1.00 0.00 N ATOM 0 H ASN A 857 7.792 3.696 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 857 5.907 5.291 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.045 3.471 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.453 2.299 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.422 1.676 -6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.520 1.292 -4.953 1.00 0.00 H new ATOM 902 N GLN A 858 4.705 3.392 -2.289 1.00 0.00 N ATOM 903 CA GLN A 858 3.514 3.104 -1.498 1.00 0.00 C ATOM 904 C GLN A 858 3.192 4.262 -0.559 1.00 0.00 C ATOM 905 O GLN A 858 2.026 4.581 -0.326 1.00 0.00 O ATOM 906 CB GLN A 858 3.709 1.818 -0.694 1.00 0.00 C ATOM 907 CG GLN A 858 3.964 0.593 -1.557 1.00 0.00 C ATOM 908 CD GLN A 858 2.702 0.070 -2.215 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.687 0.764 -2.278 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.759 -1.161 -2.711 1.00 0.00 N ATOM 0 H GLN A 858 5.567 2.998 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 858 2.676 2.972 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.547 1.951 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 858 2.823 1.644 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.695 0.841 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.402 -0.194 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.621 -1.701 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.941 -1.566 -3.166 1.00 0.00 H new ATOM 919 N LEU A 859 4.234 4.887 -0.021 1.00 0.00 N ATOM 920 CA LEU A 859 4.062 6.010 0.895 1.00 0.00 C ATOM 921 C LEU A 859 3.983 7.328 0.131 1.00 0.00 C ATOM 922 O LEU A 859 4.841 7.630 -0.699 1.00 0.00 O ATOM 923 CB LEU A 859 5.216 6.057 1.897 1.00 0.00 C ATOM 924 CG LEU A 859 5.489 4.765 2.668 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.428 5.028 3.835 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.185 4.151 3.158 1.00 0.00 C ATOM 0 H LEU A 859 5.206 4.636 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 859 3.126 5.867 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.124 6.336 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 859 5.014 6.850 2.617 1.00 0.00 H new ATOM 0 HG LEU A 859 5.970 4.057 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.611 4.097 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.373 5.422 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.975 5.753 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.398 3.232 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.676 4.855 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.546 3.925 2.304 1.00 0.00 H new ATOM 938 N LYS A 860 2.948 8.111 0.418 1.00 0.00 N ATOM 939 CA LYS A 860 2.758 9.399 -0.238 1.00 0.00 C ATOM 940 C LYS A 860 3.842 10.388 0.178 1.00 0.00 C ATOM 941 O LYS A 860 4.193 11.294 -0.578 1.00 0.00 O ATOM 942 CB LYS A 860 1.377 9.967 0.099 1.00 0.00 C ATOM 943 CG LYS A 860 0.915 11.052 -0.858 1.00 0.00 C ATOM 944 CD LYS A 860 1.344 12.431 -0.388 1.00 0.00 C ATOM 945 CE LYS A 860 0.452 12.940 0.734 1.00 0.00 C ATOM 946 NZ LYS A 860 1.162 13.912 1.611 1.00 0.00 N ATOM 0 H LYS A 860 2.228 7.876 1.101 1.00 0.00 H new ATOM 0 HA LYS A 860 2.828 9.244 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.649 9.156 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.397 10.371 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.324 10.861 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.171 11.019 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 860 2.378 12.394 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.311 13.128 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.432 13.414 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.105 12.098 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.520 14.235 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.992 13.453 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.471 14.728 1.046 1.00 0.00 H new ATOM 960 N PHE A 861 4.370 10.207 1.384 1.00 0.00 N ATOM 961 CA PHE A 861 5.415 11.083 1.901 1.00 0.00 C ATOM 962 C PHE A 861 6.733 10.329 2.049 1.00 0.00 C ATOM 963 O PHE A 861 6.763 9.118 2.270 1.00 0.00 O ATOM 964 CB PHE A 861 4.996 11.671 3.250 1.00 0.00 C ATOM 965 CG PHE A 861 4.664 10.630 4.281 1.00 0.00 C ATOM 966 CD1 PHE A 861 5.639 9.763 4.747 1.00 0.00 C ATOM 967 CD2 PHE A 861 3.378 10.519 4.783 1.00 0.00 C ATOM 968 CE1 PHE A 861 5.337 8.804 5.696 1.00 0.00 C ATOM 969 CE2 PHE A 861 3.070 9.563 5.732 1.00 0.00 C ATOM 970 CZ PHE A 861 4.050 8.703 6.188 1.00 0.00 C ATOM 0 H PHE A 861 4.091 9.461 2.022 1.00 0.00 H new ATOM 0 HA PHE A 861 5.560 11.895 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.801 12.302 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 861 4.129 12.315 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 861 6.646 9.837 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 861 2.607 11.187 4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 861 6.106 8.135 6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 861 2.064 9.488 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.811 7.953 6.928 1.00 0.00 H new ATOM 980 N PRO A 862 7.850 11.060 1.924 1.00 0.00 N ATOM 981 CA PRO A 862 9.192 10.482 2.041 1.00 0.00 C ATOM 982 C PRO A 862 9.516 10.052 3.467 1.00 0.00 C ATOM 983 O PRO A 862 8.840 10.451 4.416 1.00 0.00 O ATOM 984 CB PRO A 862 10.110 11.627 1.606 1.00 0.00 C ATOM 985 CG PRO A 862 9.332 12.865 1.889 1.00 0.00 C ATOM 986 CD PRO A 862 7.889 12.509 1.661 1.00 0.00 C ATOM 0 HA PRO A 862 9.300 9.579 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 862 11.049 11.614 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.363 11.552 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.494 13.202 2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.641 13.679 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 862 7.229 13.057 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.573 12.742 0.644 1.00 0.00 H new ATOM 994 N VAL A 863 10.555 9.236 3.613 1.00 0.00 N ATOM 995 CA VAL A 863 10.970 8.752 4.924 1.00 0.00 C ATOM 996 C VAL A 863 12.437 9.070 5.188 1.00 0.00 C ATOM 997 O VAL A 863 13.292 8.872 4.325 1.00 0.00 O ATOM 998 CB VAL A 863 10.753 7.233 5.057 1.00 0.00 C ATOM 999 CG1 VAL A 863 11.335 6.723 6.366 1.00 0.00 C ATOM 1000 CG2 VAL A 863 9.274 6.895 4.954 1.00 0.00 C ATOM 0 H VAL A 863 11.125 8.896 2.839 1.00 0.00 H new ATOM 0 HA VAL A 863 10.352 9.265 5.661 1.00 0.00 H new ATOM 0 HB VAL A 863 11.273 6.736 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 863 11.172 5.648 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.405 6.931 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.846 7.224 7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 863 9.139 5.818 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.729 7.401 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.892 7.224 3.987 1.00 0.00 H new ATOM 1010 N LYS A 864 12.723 9.565 6.388 1.00 0.00 N ATOM 1011 CA LYS A 864 14.088 9.910 6.769 1.00 0.00 C ATOM 1012 C LYS A 864 14.993 8.683 6.718 1.00 0.00 C ATOM 1013 O LYS A 864 14.536 7.541 6.773 1.00 0.00 O ATOM 1014 CB LYS A 864 14.109 10.515 8.174 1.00 0.00 C ATOM 1015 CG LYS A 864 13.934 12.023 8.190 1.00 0.00 C ATOM 1016 CD LYS A 864 14.201 12.602 9.569 1.00 0.00 C ATOM 1017 CE LYS A 864 13.907 14.094 9.614 1.00 0.00 C ATOM 1018 NZ LYS A 864 14.559 14.752 10.780 1.00 0.00 N ATOM 0 H LYS A 864 12.027 9.736 7.114 1.00 0.00 H new ATOM 0 HA LYS A 864 14.463 10.646 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.317 10.060 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.054 10.262 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.612 12.476 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.920 12.276 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 864 13.586 12.087 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 864 15.241 12.427 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 864 14.254 14.561 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 864 12.829 14.251 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 14.335 15.768 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 14.209 14.324 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 15.589 14.625 10.719 1.00 0.00 H new ATOM 1032 N PRO A 865 16.309 8.922 6.612 1.00 0.00 N ATOM 1033 CA PRO A 865 17.306 7.849 6.553 1.00 0.00 C ATOM 1034 C PRO A 865 17.447 7.115 7.883 1.00 0.00 C ATOM 1035 O PRO A 865 17.646 5.902 7.915 1.00 0.00 O ATOM 1036 CB PRO A 865 18.602 8.587 6.210 1.00 0.00 C ATOM 1037 CG PRO A 865 18.391 9.974 6.710 1.00 0.00 C ATOM 1038 CD PRO A 865 16.924 10.258 6.541 1.00 0.00 C ATOM 0 HA PRO A 865 17.034 7.079 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.462 8.120 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.791 8.577 5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.687 10.061 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.994 10.687 6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.549 10.916 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.716 10.746 5.589 1.00 0.00 H new ATOM 1046 N ALA A 866 17.341 7.860 8.978 1.00 0.00 N ATOM 1047 CA ALA A 866 17.454 7.280 10.311 1.00 0.00 C ATOM 1048 C ALA A 866 16.326 6.288 10.575 1.00 0.00 C ATOM 1049 O ALA A 866 16.571 5.107 10.820 1.00 0.00 O ATOM 1050 CB ALA A 866 17.453 8.376 11.366 1.00 0.00 C ATOM 0 H ALA A 866 17.177 8.867 8.969 1.00 0.00 H new ATOM 0 HA ALA A 866 18.399 6.739 10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.538 7.928 12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.297 9.045 11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.523 8.942 11.302 1.00 0.00 H new ATOM 1056 N ASP A 867 15.092 6.775 10.523 1.00 0.00 N ATOM 1057 CA ASP A 867 13.926 5.931 10.757 1.00 0.00 C ATOM 1058 C ASP A 867 13.875 4.785 9.751 1.00 0.00 C ATOM 1059 O ASP A 867 13.764 3.618 10.128 1.00 0.00 O ATOM 1060 CB ASP A 867 12.644 6.760 10.671 1.00 0.00 C ATOM 1061 CG ASP A 867 12.390 7.566 11.929 1.00 0.00 C ATOM 1062 OD1 ASP A 867 13.109 8.562 12.150 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.472 7.201 12.693 1.00 0.00 O ATOM 0 H ASP A 867 14.873 7.750 10.321 1.00 0.00 H new ATOM 0 HA ASP A 867 14.009 5.508 11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.708 7.435 9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.798 6.097 10.491 1.00 0.00 H new ATOM 1068 N LEU A 868 13.954 5.126 8.470 1.00 0.00 N ATOM 1069 CA LEU A 868 13.916 4.126 7.408 1.00 0.00 C ATOM 1070 C LEU A 868 14.791 2.927 7.758 1.00 0.00 C ATOM 1071 O LEU A 868 14.322 1.789 7.786 1.00 0.00 O ATOM 1072 CB LEU A 868 14.377 4.740 6.085 1.00 0.00 C ATOM 1073 CG LEU A 868 14.356 3.811 4.871 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.935 3.360 4.568 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.967 4.502 3.660 1.00 0.00 C ATOM 0 H LEU A 868 14.045 6.087 8.141 1.00 0.00 H new ATOM 0 HA LEU A 868 12.887 3.783 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.747 5.602 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 868 15.393 5.113 6.215 1.00 0.00 H new ATOM 0 HG LEU A 868 14.954 2.929 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.940 2.700 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 868 12.531 2.826 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 868 12.314 4.231 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.944 3.826 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.396 5.401 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.999 4.775 3.879 1.00 0.00 H new ATOM 1087 N LYS A 869 16.066 3.190 8.026 1.00 0.00 N ATOM 1088 CA LYS A 869 17.008 2.133 8.377 1.00 0.00 C ATOM 1089 C LYS A 869 16.539 1.378 9.617 1.00 0.00 C ATOM 1090 O LYS A 869 16.295 0.172 9.566 1.00 0.00 O ATOM 1091 CB LYS A 869 18.399 2.723 8.622 1.00 0.00 C ATOM 1092 CG LYS A 869 19.262 2.781 7.374 1.00 0.00 C ATOM 1093 CD LYS A 869 20.087 1.516 7.207 1.00 0.00 C ATOM 1094 CE LYS A 869 19.308 0.434 6.475 1.00 0.00 C ATOM 1095 NZ LYS A 869 20.158 -0.747 6.162 1.00 0.00 N ATOM 0 H LYS A 869 16.471 4.126 8.007 1.00 0.00 H new ATOM 0 HA LYS A 869 17.059 1.433 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.292 3.729 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.909 2.128 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.628 2.921 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 869 19.925 3.644 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.999 1.745 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.391 1.147 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 869 18.461 0.120 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 869 18.900 0.843 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 19.590 -1.461 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 20.952 -0.453 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 20.527 -1.153 7.045 1.00 0.00 H new ATOM 1109 N LYS A 870 16.415 2.094 10.729 1.00 0.00 N ATOM 1110 CA LYS A 870 15.973 1.492 11.982 1.00 0.00 C ATOM 1111 C LYS A 870 14.798 0.548 11.747 1.00 0.00 C ATOM 1112 O LYS A 870 14.749 -0.548 12.307 1.00 0.00 O ATOM 1113 CB LYS A 870 15.574 2.580 12.981 1.00 0.00 C ATOM 1114 CG LYS A 870 16.759 3.255 13.650 1.00 0.00 C ATOM 1115 CD LYS A 870 16.322 4.442 14.492 1.00 0.00 C ATOM 1116 CE LYS A 870 16.313 5.728 13.680 1.00 0.00 C ATOM 1117 NZ LYS A 870 15.746 6.868 14.453 1.00 0.00 N ATOM 0 H LYS A 870 16.614 3.093 10.789 1.00 0.00 H new ATOM 0 HA LYS A 870 16.803 0.916 12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.980 3.335 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 870 14.936 2.141 13.748 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.282 2.534 14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.466 3.587 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.326 4.257 14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.994 4.553 15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.330 5.969 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 870 15.730 5.580 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 15.757 7.726 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 14.767 6.649 14.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.317 7.026 15.307 1.00 0.00 H new ATOM 1131 N ARG A 871 13.856 0.978 10.915 1.00 0.00 N ATOM 1132 CA ARG A 871 12.682 0.170 10.607 1.00 0.00 C ATOM 1133 C ARG A 871 13.082 -1.124 9.904 1.00 0.00 C ATOM 1134 O ARG A 871 12.660 -2.211 10.299 1.00 0.00 O ATOM 1135 CB ARG A 871 11.709 0.960 9.729 1.00 0.00 C ATOM 1136 CG ARG A 871 11.081 2.151 10.434 1.00 0.00 C ATOM 1137 CD ARG A 871 9.839 1.745 11.213 1.00 0.00 C ATOM 1138 NE ARG A 871 10.167 1.249 12.547 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.601 2.025 13.534 1.00 0.00 C ATOM 1140 NH1 ARG A 871 10.757 3.327 13.338 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.879 1.500 14.720 1.00 0.00 N ATOM 0 H ARG A 871 13.882 1.881 10.442 1.00 0.00 H new ATOM 0 HA ARG A 871 12.190 -0.084 11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.236 1.311 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.918 0.293 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.807 2.598 11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.819 2.913 9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.169 2.601 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.301 0.974 10.662 1.00 0.00 H new ATOM 0 HE ARG A 871 10.057 0.252 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.544 3.735 12.428 1.00 0.00 H new ATOM 0 HH12 ARG A 871 11.090 3.921 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.760 0.499 14.875 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.212 2.097 15.477 1.00 0.00 H new ATOM 1155 N ILE A 872 13.897 -0.998 8.862 1.00 0.00 N ATOM 1156 CA ILE A 872 14.354 -2.157 8.106 1.00 0.00 C ATOM 1157 C ILE A 872 15.104 -3.137 9.002 1.00 0.00 C ATOM 1158 O ILE A 872 14.676 -4.275 9.188 1.00 0.00 O ATOM 1159 CB ILE A 872 15.268 -1.743 6.938 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.540 -0.765 6.014 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.728 -2.969 6.164 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.466 0.003 5.097 1.00 0.00 C ATOM 0 H ILE A 872 14.254 -0.105 8.522 1.00 0.00 H new ATOM 0 HA ILE A 872 13.464 -2.643 7.705 1.00 0.00 H new ATOM 0 HB ILE A 872 16.148 -1.244 7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.819 -1.316 5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 872 13.974 -0.058 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.373 -2.659 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.281 -3.633 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.860 -3.495 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 872 14.881 0.677 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.171 0.582 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.014 -0.696 4.465 1.00 0.00 H new ATOM 1174 N GLU A 873 16.225 -2.685 9.555 1.00 0.00 N ATOM 1175 CA GLU A 873 17.034 -3.523 10.433 1.00 0.00 C ATOM 1176 C GLU A 873 16.161 -4.233 11.464 1.00 0.00 C ATOM 1177 O GLU A 873 16.137 -5.462 11.531 1.00 0.00 O ATOM 1178 CB GLU A 873 18.096 -2.680 11.142 1.00 0.00 C ATOM 1179 CG GLU A 873 19.228 -2.235 10.231 1.00 0.00 C ATOM 1180 CD GLU A 873 20.490 -1.886 10.996 1.00 0.00 C ATOM 1181 OE1 GLU A 873 21.091 -2.800 11.598 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.877 -0.699 10.991 1.00 0.00 O ATOM 0 H GLU A 873 16.593 -1.745 9.411 1.00 0.00 H new ATOM 0 HA GLU A 873 17.528 -4.277 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.620 -1.799 11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.512 -3.255 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.448 -3.029 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.906 -1.368 9.654 1.00 0.00 H new ATOM 1189 N SER A 874 15.447 -3.450 12.266 1.00 0.00 N ATOM 1190 CA SER A 874 14.577 -4.003 13.297 1.00 0.00 C ATOM 1191 C SER A 874 13.814 -5.215 12.771 1.00 0.00 C ATOM 1192 O SER A 874 13.935 -6.319 13.303 1.00 0.00 O ATOM 1193 CB SER A 874 13.592 -2.939 13.787 1.00 0.00 C ATOM 1194 OG SER A 874 14.165 -2.148 14.814 1.00 0.00 O ATOM 0 H SER A 874 15.454 -2.431 12.222 1.00 0.00 H new ATOM 0 HA SER A 874 15.201 -4.323 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.297 -2.301 12.954 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.686 -3.420 14.157 1.00 0.00 H new ATOM 0 HG SER A 874 14.554 -1.338 14.424 1.00 0.00 H new ATOM 1200 N LEU A 875 13.027 -5.000 11.722 1.00 0.00 N ATOM 1201 CA LEU A 875 12.242 -6.074 11.122 1.00 0.00 C ATOM 1202 C LEU A 875 13.089 -7.329 10.937 1.00 0.00 C ATOM 1203 O LEU A 875 12.689 -8.424 11.332 1.00 0.00 O ATOM 1204 CB LEU A 875 11.673 -5.625 9.775 1.00 0.00 C ATOM 1205 CG LEU A 875 10.430 -4.737 9.835 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.115 -4.167 8.460 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.241 -5.520 10.374 1.00 0.00 C ATOM 0 H LEU A 875 12.916 -4.093 11.270 1.00 0.00 H new ATOM 0 HA LEU A 875 11.419 -6.310 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.453 -5.088 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.433 -6.513 9.190 1.00 0.00 H new ATOM 0 HG LEU A 875 10.631 -3.908 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.227 -3.538 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 875 10.959 -3.571 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 875 9.933 -4.983 7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.365 -4.872 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 875 9.038 -6.369 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.467 -5.880 11.378 1.00 0.00 H new ATOM 1219 N ILE A 876 14.262 -7.161 10.335 1.00 0.00 N ATOM 1220 CA ILE A 876 15.167 -8.280 10.100 1.00 0.00 C ATOM 1221 C ILE A 876 15.449 -9.039 11.393 1.00 0.00 C ATOM 1222 O ILE A 876 15.520 -10.268 11.399 1.00 0.00 O ATOM 1223 CB ILE A 876 16.502 -7.807 9.495 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.254 -7.052 8.187 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.427 -8.991 9.262 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.522 -6.560 7.524 1.00 0.00 C ATOM 0 H ILE A 876 14.608 -6.261 10.001 1.00 0.00 H new ATOM 0 HA ILE A 876 14.671 -8.944 9.392 1.00 0.00 H new ATOM 0 HB ILE A 876 16.983 -7.129 10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.722 -7.705 7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.604 -6.200 8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.366 -8.640 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.624 -9.491 10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.954 -9.692 8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.271 -6.034 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 876 18.045 -5.881 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.165 -7.409 7.293 1.00 0.00 H new ATOM 1238 N ASP A 877 15.606 -8.299 12.485 1.00 0.00 N ATOM 1239 CA ASP A 877 15.877 -8.903 13.784 1.00 0.00 C ATOM 1240 C ASP A 877 14.594 -9.438 14.413 1.00 0.00 C ATOM 1241 O ASP A 877 14.637 -10.249 15.338 1.00 0.00 O ATOM 1242 CB ASP A 877 16.530 -7.882 14.718 1.00 0.00 C ATOM 1243 CG ASP A 877 17.054 -8.515 15.992 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.632 -9.620 15.912 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.887 -7.906 17.069 1.00 0.00 O ATOM 0 H ASP A 877 15.550 -7.281 12.496 1.00 0.00 H new ATOM 0 HA ASP A 877 16.562 -9.737 13.634 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.351 -7.389 14.196 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.804 -7.109 14.972 1.00 0.00 H new ATOM 1250 N ARG A 878 13.456 -8.978 13.905 1.00 0.00 N ATOM 1251 CA ARG A 878 12.161 -9.409 14.418 1.00 0.00 C ATOM 1252 C ARG A 878 11.774 -10.769 13.845 1.00 0.00 C ATOM 1253 O ARG A 878 10.636 -11.215 13.992 1.00 0.00 O ATOM 1254 CB ARG A 878 11.085 -8.376 14.079 1.00 0.00 C ATOM 1255 CG ARG A 878 10.988 -7.243 15.087 1.00 0.00 C ATOM 1256 CD ARG A 878 9.650 -6.527 14.994 1.00 0.00 C ATOM 1257 NE ARG A 878 9.390 -5.698 16.169 1.00 0.00 N ATOM 1258 CZ ARG A 878 8.260 -5.027 16.359 1.00 0.00 C ATOM 1259 NH1 ARG A 878 7.290 -5.086 15.456 1.00 0.00 N ATOM 1260 NH2 ARG A 878 8.098 -4.294 17.453 1.00 0.00 N ATOM 0 H ARG A 878 13.404 -8.307 13.139 1.00 0.00 H new ATOM 0 HA ARG A 878 12.240 -9.500 15.501 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.293 -7.958 13.094 1.00 0.00 H new ATOM 0 HB3 ARG A 878 10.119 -8.878 14.015 1.00 0.00 H new ATOM 0 HG2 ARG A 878 11.121 -7.638 16.094 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.795 -6.531 14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 878 9.634 -5.904 14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.852 -7.262 14.885 1.00 0.00 H new ATOM 0 HE ARG A 878 10.116 -5.631 16.882 1.00 0.00 H new ATOM 0 HH11 ARG A 878 7.411 -5.648 14.613 1.00 0.00 H new ATOM 0 HH12 ARG A 878 6.423 -4.570 15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 878 8.842 -4.245 18.149 1.00 0.00 H new ATOM 0 HH22 ARG A 878 7.230 -3.779 17.598 1.00 0.00 H new ATOM 1274 N ASP A 879 12.729 -11.423 13.192 1.00 0.00 N ATOM 1275 CA ASP A 879 12.489 -12.733 12.598 1.00 0.00 C ATOM 1276 C ASP A 879 11.547 -12.623 11.403 1.00 0.00 C ATOM 1277 O ASP A 879 10.598 -13.397 11.274 1.00 0.00 O ATOM 1278 CB ASP A 879 11.904 -13.689 13.638 1.00 0.00 C ATOM 1279 CG ASP A 879 12.669 -13.661 14.946 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.910 -13.533 14.904 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.027 -13.768 16.012 1.00 0.00 O ATOM 0 H ASP A 879 13.676 -11.067 13.061 1.00 0.00 H new ATOM 0 HA ASP A 879 13.444 -13.127 12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.863 -13.426 13.824 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.910 -14.703 13.239 1.00 0.00 H new ATOM 1286 N TYR A 880 11.814 -11.656 10.532 1.00 0.00 N ATOM 1287 CA TYR A 880 10.988 -11.442 9.350 1.00 0.00 C ATOM 1288 C TYR A 880 11.814 -11.589 8.075 1.00 0.00 C ATOM 1289 O TYR A 880 11.318 -12.064 7.053 1.00 0.00 O ATOM 1290 CB TYR A 880 10.344 -10.055 9.396 1.00 0.00 C ATOM 1291 CG TYR A 880 9.134 -9.979 10.299 1.00 0.00 C ATOM 1292 CD1 TYR A 880 9.275 -9.789 11.668 1.00 0.00 C ATOM 1293 CD2 TYR A 880 7.849 -10.099 9.783 1.00 0.00 C ATOM 1294 CE1 TYR A 880 8.172 -9.720 12.497 1.00 0.00 C ATOM 1295 CE2 TYR A 880 6.741 -10.029 10.604 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.907 -9.840 11.960 1.00 0.00 C ATOM 1297 OH TYR A 880 5.805 -9.772 12.782 1.00 0.00 O ATOM 0 H TYR A 880 12.596 -11.008 10.623 1.00 0.00 H new ATOM 0 HA TYR A 880 10.204 -12.199 9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 880 11.085 -9.331 9.734 1.00 0.00 H new ATOM 0 HB3 TYR A 880 10.052 -9.765 8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 880 10.264 -9.694 12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 880 7.715 -10.250 8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 880 8.299 -9.573 13.559 1.00 0.00 H new ATOM 0 HE2 TYR A 880 5.749 -10.122 10.186 1.00 0.00 H new ATOM 0 HH TYR A 880 4.991 -9.874 12.246 1.00 0.00 H new ATOM 1307 N MET A 881 13.076 -11.180 8.145 1.00 0.00 N ATOM 1308 CA MET A 881 13.972 -11.268 6.997 1.00 0.00 C ATOM 1309 C MET A 881 15.380 -11.656 7.436 1.00 0.00 C ATOM 1310 O MET A 881 15.803 -11.339 8.547 1.00 0.00 O ATOM 1311 CB MET A 881 14.008 -9.935 6.248 1.00 0.00 C ATOM 1312 CG MET A 881 12.629 -9.383 5.923 1.00 0.00 C ATOM 1313 SD MET A 881 11.893 -10.161 4.473 1.00 0.00 S ATOM 1314 CE MET A 881 12.889 -9.450 3.165 1.00 0.00 C ATOM 0 H MET A 881 13.502 -10.785 8.983 1.00 0.00 H new ATOM 0 HA MET A 881 13.592 -12.041 6.329 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.550 -9.205 6.848 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.567 -10.063 5.321 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.972 -9.528 6.781 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.702 -8.308 5.756 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.238 -9.002 2.415 1.00 0.00 H new ATOM 0 HE2 MET A 881 13.544 -8.684 3.581 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.492 -10.231 2.702 1.00 0.00 H new ATOM 1324 N GLU A 882 16.101 -12.344 6.556 1.00 0.00 N ATOM 1325 CA GLU A 882 17.461 -12.776 6.854 1.00 0.00 C ATOM 1326 C GLU A 882 18.459 -12.134 5.894 1.00 0.00 C ATOM 1327 O GLU A 882 18.215 -12.054 4.690 1.00 0.00 O ATOM 1328 CB GLU A 882 17.566 -14.300 6.772 1.00 0.00 C ATOM 1329 CG GLU A 882 17.167 -14.865 5.419 1.00 0.00 C ATOM 1330 CD GLU A 882 17.672 -16.279 5.206 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.680 -16.652 5.842 1.00 0.00 O ATOM 1332 OE2 GLU A 882 17.059 -17.013 4.402 1.00 0.00 O ATOM 0 H GLU A 882 15.766 -12.614 5.631 1.00 0.00 H new ATOM 0 HA GLU A 882 17.702 -12.457 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.591 -14.598 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.933 -14.741 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.081 -14.854 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.557 -14.221 4.631 1.00 0.00 H new ATOM 1339 N ARG A 883 19.583 -11.677 6.436 1.00 0.00 N ATOM 1340 CA ARG A 883 20.617 -11.041 5.629 1.00 0.00 C ATOM 1341 C ARG A 883 21.411 -12.081 4.843 1.00 0.00 C ATOM 1342 O ARG A 883 22.099 -12.920 5.424 1.00 0.00 O ATOM 1343 CB ARG A 883 21.561 -10.229 6.519 1.00 0.00 C ATOM 1344 CG ARG A 883 20.967 -8.914 6.996 1.00 0.00 C ATOM 1345 CD ARG A 883 21.770 -8.324 8.145 1.00 0.00 C ATOM 1346 NE ARG A 883 20.950 -7.480 9.009 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.323 -7.089 10.223 1.00 0.00 C ATOM 1348 NH1 ARG A 883 22.497 -7.463 10.711 1.00 0.00 N ATOM 1349 NH2 ARG A 883 20.521 -6.321 10.949 1.00 0.00 N ATOM 0 H ARG A 883 19.801 -11.735 7.431 1.00 0.00 H new ATOM 0 HA ARG A 883 20.129 -10.371 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.836 -10.830 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.480 -10.025 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.939 -8.205 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 883 19.937 -9.073 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.206 -9.131 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.598 -7.738 7.745 1.00 0.00 H new ATOM 0 HE ARG A 883 20.041 -7.174 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.116 -8.052 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 883 22.781 -7.162 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 883 19.617 -6.030 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 883 20.808 -6.021 11.881 1.00 0.00 H new ATOM 1363 N ASP A 884 21.308 -12.019 3.520 1.00 0.00 N ATOM 1364 CA ASP A 884 22.016 -12.955 2.654 1.00 0.00 C ATOM 1365 C ASP A 884 23.498 -13.010 3.011 1.00 0.00 C ATOM 1366 O ASP A 884 24.175 -11.982 3.061 1.00 0.00 O ATOM 1367 CB ASP A 884 21.846 -12.555 1.188 1.00 0.00 C ATOM 1368 CG ASP A 884 21.912 -13.745 0.252 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.929 -14.469 0.283 1.00 0.00 O ATOM 1370 OD2 ASP A 884 20.946 -13.954 -0.512 1.00 0.00 O ATOM 0 H ASP A 884 20.742 -11.331 3.024 1.00 0.00 H new ATOM 0 HA ASP A 884 21.588 -13.946 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.889 -12.049 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.623 -11.840 0.917 1.00 0.00 H new ATOM 1375 N LYS A 885 23.998 -14.216 3.258 1.00 0.00 N ATOM 1376 CA LYS A 885 25.400 -14.407 3.609 1.00 0.00 C ATOM 1377 C LYS A 885 26.310 -13.648 2.649 1.00 0.00 C ATOM 1378 O LYS A 885 27.396 -13.209 3.025 1.00 0.00 O ATOM 1379 CB LYS A 885 25.753 -15.896 3.594 1.00 0.00 C ATOM 1380 CG LYS A 885 25.887 -16.475 2.196 1.00 0.00 C ATOM 1381 CD LYS A 885 24.554 -16.982 1.672 1.00 0.00 C ATOM 1382 CE LYS A 885 24.701 -17.620 0.299 1.00 0.00 C ATOM 1383 NZ LYS A 885 24.776 -16.598 -0.782 1.00 0.00 N ATOM 0 H LYS A 885 23.452 -15.077 3.221 1.00 0.00 H new ATOM 0 HA LYS A 885 25.553 -14.014 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 885 26.690 -16.044 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 885 24.985 -16.448 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 885 26.278 -15.713 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 885 26.609 -17.292 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.140 -17.710 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 885 23.846 -16.155 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 885 25.600 -18.236 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 885 23.856 -18.283 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 24.456 -17.017 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 24.167 -15.791 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 25.758 -16.272 -0.884 1.00 0.00 H new ATOM 1397 N GLU A 886 25.858 -13.497 1.408 1.00 0.00 N ATOM 1398 CA GLU A 886 26.633 -12.790 0.394 1.00 0.00 C ATOM 1399 C GLU A 886 26.819 -11.324 0.776 1.00 0.00 C ATOM 1400 O GLU A 886 27.906 -10.768 0.632 1.00 0.00 O ATOM 1401 CB GLU A 886 25.944 -12.890 -0.968 1.00 0.00 C ATOM 1402 CG GLU A 886 24.876 -11.832 -1.190 1.00 0.00 C ATOM 1403 CD GLU A 886 24.385 -11.790 -2.624 1.00 0.00 C ATOM 1404 OE1 GLU A 886 25.201 -11.503 -3.523 1.00 0.00 O ATOM 1405 OE2 GLU A 886 23.182 -12.045 -2.846 1.00 0.00 O ATOM 0 H GLU A 886 24.960 -13.854 1.081 1.00 0.00 H new ATOM 0 HA GLU A 886 27.615 -13.259 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 886 26.696 -12.805 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 886 25.491 -13.877 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 886 24.033 -12.027 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.276 -10.855 -0.918 1.00 0.00 H new ATOM 1412 N ASN A 887 25.748 -10.705 1.263 1.00 0.00 N ATOM 1413 CA ASN A 887 25.792 -9.304 1.664 1.00 0.00 C ATOM 1414 C ASN A 887 24.530 -8.918 2.430 1.00 0.00 C ATOM 1415 O ASN A 887 23.427 -9.376 2.131 1.00 0.00 O ATOM 1416 CB ASN A 887 25.952 -8.405 0.436 1.00 0.00 C ATOM 1417 CG ASN A 887 24.721 -8.413 -0.450 1.00 0.00 C ATOM 1418 OD1 ASN A 887 23.621 -8.083 -0.007 1.00 0.00 O ATOM 1419 ND2 ASN A 887 24.903 -8.790 -1.710 1.00 0.00 N ATOM 0 H ASN A 887 24.840 -11.152 1.389 1.00 0.00 H new ATOM 0 HA ASN A 887 26.651 -9.166 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.157 -7.385 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 887 26.815 -8.735 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 887 24.113 -8.814 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 887 25.833 -9.055 -2.034 1.00 0.00 H new ATOM 1426 N PRO A 888 24.694 -8.053 3.442 1.00 0.00 N ATOM 1427 CA PRO A 888 23.579 -7.585 4.272 1.00 0.00 C ATOM 1428 C PRO A 888 22.636 -6.663 3.507 1.00 0.00 C ATOM 1429 O PRO A 888 21.604 -6.243 4.030 1.00 0.00 O ATOM 1430 CB PRO A 888 24.274 -6.822 5.402 1.00 0.00 C ATOM 1431 CG PRO A 888 25.575 -6.386 4.821 1.00 0.00 C ATOM 1432 CD PRO A 888 25.979 -7.466 3.855 1.00 0.00 C ATOM 0 HA PRO A 888 22.954 -8.408 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.680 -5.968 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.423 -7.457 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.474 -5.426 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.327 -6.257 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.527 -7.060 3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.625 -8.206 4.327 1.00 0.00 H new ATOM 1440 N ASN A 889 22.996 -6.351 2.267 1.00 0.00 N ATOM 1441 CA ASN A 889 22.181 -5.478 1.430 1.00 0.00 C ATOM 1442 C ASN A 889 20.955 -6.218 0.904 1.00 0.00 C ATOM 1443 O ASN A 889 19.923 -5.609 0.624 1.00 0.00 O ATOM 1444 CB ASN A 889 23.007 -4.940 0.260 1.00 0.00 C ATOM 1445 CG ASN A 889 24.267 -4.231 0.720 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.280 -3.583 1.766 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.333 -4.352 -0.063 1.00 0.00 N ATOM 0 H ASN A 889 23.847 -6.690 1.819 1.00 0.00 H new ATOM 0 HA ASN A 889 21.844 -4.641 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.277 -5.764 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.398 -4.250 -0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 889 26.209 -3.897 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 889 25.276 -4.900 -0.922 1.00 0.00 H new ATOM 1454 N GLN A 890 21.077 -7.535 0.772 1.00 0.00 N ATOM 1455 CA GLN A 890 19.979 -8.358 0.278 1.00 0.00 C ATOM 1456 C GLN A 890 19.242 -9.031 1.432 1.00 0.00 C ATOM 1457 O GLN A 890 19.863 -9.590 2.336 1.00 0.00 O ATOM 1458 CB GLN A 890 20.504 -9.416 -0.693 1.00 0.00 C ATOM 1459 CG GLN A 890 19.461 -10.450 -1.089 1.00 0.00 C ATOM 1460 CD GLN A 890 19.700 -11.021 -2.472 1.00 0.00 C ATOM 1461 OE1 GLN A 890 20.519 -11.923 -2.651 1.00 0.00 O ATOM 1462 NE2 GLN A 890 18.985 -10.497 -3.461 1.00 0.00 N ATOM 0 H GLN A 890 21.925 -8.055 1.000 1.00 0.00 H new ATOM 0 HA GLN A 890 19.279 -7.709 -0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.873 -8.921 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.354 -9.925 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.464 -11.261 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.472 -9.994 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 890 18.317 -9.751 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 890 19.104 -10.841 -4.414 1.00 0.00 H new ATOM 1471 N TYR A 891 17.916 -8.971 1.395 1.00 0.00 N ATOM 1472 CA TYR A 891 17.094 -9.572 2.439 1.00 0.00 C ATOM 1473 C TYR A 891 16.174 -10.643 1.859 1.00 0.00 C ATOM 1474 O TYR A 891 15.635 -10.487 0.765 1.00 0.00 O ATOM 1475 CB TYR A 891 16.264 -8.499 3.145 1.00 0.00 C ATOM 1476 CG TYR A 891 17.061 -7.273 3.529 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.154 -7.369 4.382 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.722 -6.018 3.038 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.884 -6.251 4.736 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.447 -4.895 3.386 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.527 -5.016 4.235 1.00 0.00 C ATOM 1482 OH TYR A 891 19.253 -3.901 4.584 1.00 0.00 O ATOM 0 H TYR A 891 17.387 -8.512 0.653 1.00 0.00 H new ATOM 0 HA TYR A 891 17.759 -10.043 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.443 -8.199 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 891 15.818 -8.928 4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.437 -8.334 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.877 -5.919 2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.730 -6.343 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.170 -3.927 2.995 1.00 0.00 H new ATOM 0 HH TYR A 891 18.872 -3.112 4.145 1.00 0.00 H new ATOM 1492 N ASN A 892 16.000 -11.730 2.604 1.00 0.00 N ATOM 1493 CA ASN A 892 15.146 -12.828 2.166 1.00 0.00 C ATOM 1494 C ASN A 892 13.941 -12.981 3.089 1.00 0.00 C ATOM 1495 O ASN A 892 14.017 -12.681 4.281 1.00 0.00 O ATOM 1496 CB ASN A 892 15.940 -14.134 2.124 1.00 0.00 C ATOM 1497 CG ASN A 892 17.144 -14.050 1.206 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.030 -14.241 -0.005 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.307 -13.763 1.780 1.00 0.00 N ATOM 0 H ASN A 892 16.439 -11.874 3.513 1.00 0.00 H new ATOM 0 HA ASN A 892 14.786 -12.598 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.272 -14.387 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.288 -14.942 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.152 -13.693 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.355 -13.612 2.788 1.00 0.00 H new ATOM 1506 N TYR A 893 12.831 -13.451 2.531 1.00 0.00 N ATOM 1507 CA TYR A 893 11.609 -13.643 3.303 1.00 0.00 C ATOM 1508 C TYR A 893 11.667 -14.942 4.100 1.00 0.00 C ATOM 1509 O TYR A 893 11.916 -16.013 3.545 1.00 0.00 O ATOM 1510 CB TYR A 893 10.392 -13.653 2.376 1.00 0.00 C ATOM 1511 CG TYR A 893 9.086 -13.385 3.090 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.947 -12.295 3.940 1.00 0.00 C ATOM 1513 CD2 TYR A 893 7.991 -14.222 2.914 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.756 -12.046 4.594 1.00 0.00 C ATOM 1515 CE2 TYR A 893 6.796 -13.980 3.563 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.683 -12.891 4.402 1.00 0.00 C ATOM 1517 OH TYR A 893 5.495 -12.648 5.052 1.00 0.00 O ATOM 0 H TYR A 893 12.752 -13.706 1.547 1.00 0.00 H new ATOM 0 HA TYR A 893 11.517 -12.813 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.532 -12.903 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.333 -14.621 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.785 -11.631 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.076 -15.076 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.666 -11.194 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 893 5.954 -14.640 3.414 1.00 0.00 H new ATOM 0 HH TYR A 893 5.393 -11.684 5.198 1.00 0.00 H new ATOM 1527 N ILE A 894 11.435 -14.839 5.404 1.00 0.00 N ATOM 1528 CA ILE A 894 11.459 -16.005 6.279 1.00 0.00 C ATOM 1529 C ILE A 894 10.116 -16.197 6.975 1.00 0.00 C ATOM 1530 O ILE A 894 9.698 -17.324 7.238 1.00 0.00 O ATOM 1531 CB ILE A 894 12.565 -15.887 7.344 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.669 -14.446 7.846 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.898 -16.353 6.777 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.650 -14.272 8.984 1.00 0.00 C ATOM 0 H ILE A 894 11.228 -13.960 5.878 1.00 0.00 H new ATOM 0 HA ILE A 894 11.665 -16.869 5.648 1.00 0.00 H new ATOM 0 HB ILE A 894 12.306 -16.528 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.967 -13.802 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.684 -14.111 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.670 -16.264 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.816 -17.394 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.164 -15.736 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.672 -13.226 9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.342 -14.889 9.828 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.644 -14.575 8.657 1.00 0.00 H new ATOM 1546 N ALA A 895 9.445 -15.088 7.271 1.00 0.00 N ATOM 1547 CA ALA A 895 8.148 -15.135 7.934 1.00 0.00 C ATOM 1548 C ALA A 895 7.087 -15.743 7.022 1.00 0.00 C ATOM 1549 O ALA A 895 7.080 -15.502 5.815 1.00 0.00 O ATOM 1550 CB ALA A 895 7.731 -13.740 8.375 1.00 0.00 C ATOM 0 H ALA A 895 9.778 -14.147 7.062 1.00 0.00 H new ATOM 0 HA ALA A 895 8.240 -15.771 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.761 -13.789 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.471 -13.341 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.662 -13.088 7.504 1.00 0.00 H new