USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 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 -143:sc= -2.92! (180deg=-1.63!) USER MOD Set 1.2: A 881 MET CE :methyl 140:sc= -3.92! (180deg=-1.87) USER MOD Set 2.1: A 848 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=0) USER MOD Set 2.2: A 891 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 845 THR OG1 : rot -95:sc= 1.25 USER MOD Set 3.2: A 892 ASN : amide:sc= 0.439 X(o=1.7,f=1.3) USER MOD Single : A 829 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.089) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 180:sc= 0 USER MOD Single : A 849 ASN : amide:sc= -0.084 K(o=-0.084,f=-1) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 8:sc=0.000994 USER MOD Single : A 857 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.96) USER MOD Single : A 858 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.3) USER MOD Single : A 860 LYS NZ :NH3+ -159:sc= -0.0744 (180deg=-0.349) USER MOD Single : A 864 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0561) 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 88:sc= 0.248 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.068) USER MOD Single : A 887 ASN : amide:sc= -2.57! C(o=-2.6!,f=-3!) USER MOD Single : A 889 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 890 GLN :FLIP amide:sc= -0.603 F(o=-1.1,f=-0.6) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 386 N ARG A 828 2.966 6.708 11.529 1.00 0.00 N ATOM 387 CA ARG A 828 4.184 6.712 10.729 1.00 0.00 C ATOM 388 C ARG A 828 4.880 5.355 10.792 1.00 0.00 C ATOM 389 O ARG A 828 4.848 4.586 9.831 1.00 0.00 O ATOM 390 CB ARG A 828 5.136 7.807 11.215 1.00 0.00 C ATOM 391 CG ARG A 828 4.592 9.214 11.026 1.00 0.00 C ATOM 392 CD ARG A 828 4.194 9.468 9.581 1.00 0.00 C ATOM 393 NE ARG A 828 4.338 10.874 9.212 1.00 0.00 N ATOM 394 CZ ARG A 828 3.999 11.360 8.024 1.00 0.00 C ATOM 395 NH1 ARG A 828 3.498 10.559 7.094 1.00 0.00 N ATOM 396 NH2 ARG A 828 4.160 12.652 7.764 1.00 0.00 N ATOM 0 HA ARG A 828 3.908 6.913 9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.350 7.648 12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.082 7.717 10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 828 3.728 9.361 11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.346 9.940 11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 828 4.810 8.856 8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 828 3.160 9.158 9.430 1.00 0.00 H new ATOM 0 HE ARG A 828 4.720 11.518 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 828 3.372 9.566 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 828 3.239 10.936 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.544 13.272 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.899 13.025 6.851 1.00 0.00 H new ATOM 410 N GLN A 829 5.507 5.069 11.928 1.00 0.00 N ATOM 411 CA GLN A 829 6.211 3.806 12.115 1.00 0.00 C ATOM 412 C GLN A 829 5.440 2.654 11.478 1.00 0.00 C ATOM 413 O GLN A 829 6.033 1.684 11.004 1.00 0.00 O ATOM 414 CB GLN A 829 6.423 3.531 13.604 1.00 0.00 C ATOM 415 CG GLN A 829 5.134 3.260 14.363 1.00 0.00 C ATOM 416 CD GLN A 829 5.380 2.764 15.774 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.479 2.905 16.311 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.356 2.178 16.383 1.00 0.00 N ATOM 0 H GLN A 829 5.542 5.695 12.733 1.00 0.00 H new ATOM 0 HA GLN A 829 7.182 3.885 11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.087 2.674 13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.927 4.386 14.055 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.541 4.174 14.402 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.546 2.521 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.463 2.082 15.900 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.463 1.824 17.333 1.00 0.00 H new ATOM 427 N TYR A 830 4.117 2.767 11.471 1.00 0.00 N ATOM 428 CA TYR A 830 3.265 1.733 10.895 1.00 0.00 C ATOM 429 C TYR A 830 3.263 1.815 9.371 1.00 0.00 C ATOM 430 O TYR A 830 3.328 0.796 8.685 1.00 0.00 O ATOM 431 CB TYR A 830 1.836 1.866 11.425 1.00 0.00 C ATOM 432 CG TYR A 830 1.660 1.333 12.829 1.00 0.00 C ATOM 433 CD1 TYR A 830 2.158 0.086 13.187 1.00 0.00 C ATOM 434 CD2 TYR A 830 0.994 2.074 13.797 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.998 -0.406 14.468 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.831 1.591 15.080 1.00 0.00 C ATOM 437 CZ TYR A 830 1.335 0.350 15.411 1.00 0.00 C ATOM 438 OH TYR A 830 1.173 -0.135 16.688 1.00 0.00 O ATOM 0 H TYR A 830 3.611 3.564 11.857 1.00 0.00 H new ATOM 0 HA TYR A 830 3.666 0.763 11.189 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.546 2.917 11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.158 1.336 10.756 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.679 -0.509 12.451 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.597 3.045 13.541 1.00 0.00 H new ATOM 0 HE1 TYR A 830 2.390 -1.378 14.729 1.00 0.00 H new ATOM 0 HE2 TYR A 830 0.312 2.181 15.821 1.00 0.00 H new ATOM 0 HH TYR A 830 0.685 0.522 17.228 1.00 0.00 H new ATOM 448 N GLN A 831 3.189 3.036 8.851 1.00 0.00 N ATOM 449 CA GLN A 831 3.179 3.252 7.409 1.00 0.00 C ATOM 450 C GLN A 831 4.415 2.639 6.758 1.00 0.00 C ATOM 451 O GLN A 831 4.334 2.059 5.675 1.00 0.00 O ATOM 452 CB GLN A 831 3.113 4.748 7.097 1.00 0.00 C ATOM 453 CG GLN A 831 1.696 5.297 7.047 1.00 0.00 C ATOM 454 CD GLN A 831 0.936 4.840 5.817 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.046 3.993 5.902 1.00 0.00 O ATOM 456 NE2 GLN A 831 1.283 5.400 4.665 1.00 0.00 N ATOM 0 H GLN A 831 3.135 3.890 9.406 1.00 0.00 H new ATOM 0 HA GLN A 831 2.295 2.763 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.679 5.294 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.599 4.933 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.157 4.982 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.732 6.386 7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.026 6.098 4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.806 5.133 3.804 1.00 0.00 H new ATOM 465 N ILE A 832 5.556 2.772 7.425 1.00 0.00 N ATOM 466 CA ILE A 832 6.808 2.230 6.911 1.00 0.00 C ATOM 467 C ILE A 832 6.868 0.717 7.093 1.00 0.00 C ATOM 468 O ILE A 832 7.002 -0.030 6.124 1.00 0.00 O ATOM 469 CB ILE A 832 8.025 2.868 7.607 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.067 4.372 7.331 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.311 2.202 7.140 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.087 5.167 8.165 1.00 0.00 C ATOM 0 H ILE A 832 5.640 3.250 8.322 1.00 0.00 H new ATOM 0 HA ILE A 832 6.842 2.467 5.848 1.00 0.00 H new ATOM 0 HB ILE A 832 7.931 2.718 8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.075 4.740 7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.858 4.545 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.162 2.664 7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.280 1.140 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.414 2.325 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.172 6.225 7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.073 4.826 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.309 5.024 9.222 1.00 0.00 H new ATOM 484 N ASP A 833 6.766 0.272 8.341 1.00 0.00 N ATOM 485 CA ASP A 833 6.806 -1.152 8.650 1.00 0.00 C ATOM 486 C ASP A 833 5.771 -1.916 7.829 1.00 0.00 C ATOM 487 O ASP A 833 5.979 -3.075 7.474 1.00 0.00 O ATOM 488 CB ASP A 833 6.560 -1.379 10.142 1.00 0.00 C ATOM 489 CG ASP A 833 6.836 -2.809 10.564 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.888 -3.688 9.679 1.00 0.00 O ATOM 491 OD2 ASP A 833 6.998 -3.049 11.779 1.00 0.00 O ATOM 0 H ASP A 833 6.655 0.877 9.155 1.00 0.00 H new ATOM 0 HA ASP A 833 7.796 -1.527 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.193 -0.705 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.527 -1.126 10.379 1.00 0.00 H new ATOM 496 N ALA A 834 4.655 -1.257 7.534 1.00 0.00 N ATOM 497 CA ALA A 834 3.588 -1.873 6.755 1.00 0.00 C ATOM 498 C ALA A 834 3.989 -2.015 5.290 1.00 0.00 C ATOM 499 O ALA A 834 3.949 -3.109 4.729 1.00 0.00 O ATOM 500 CB ALA A 834 2.308 -1.060 6.877 1.00 0.00 C ATOM 0 H ALA A 834 4.467 -0.297 7.823 1.00 0.00 H new ATOM 0 HA ALA A 834 3.411 -2.871 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.520 -1.532 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.004 -1.015 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.482 -0.050 6.506 1.00 0.00 H new ATOM 506 N ALA A 835 4.376 -0.901 4.677 1.00 0.00 N ATOM 507 CA ALA A 835 4.785 -0.902 3.278 1.00 0.00 C ATOM 508 C ALA A 835 5.894 -1.919 3.031 1.00 0.00 C ATOM 509 O ALA A 835 5.855 -2.670 2.056 1.00 0.00 O ATOM 510 CB ALA A 835 5.239 0.489 2.860 1.00 0.00 C ATOM 0 H ALA A 835 4.415 0.013 5.127 1.00 0.00 H new ATOM 0 HA ALA A 835 3.924 -1.188 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.542 0.474 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.418 1.194 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.083 0.797 3.477 1.00 0.00 H new ATOM 516 N ILE A 836 6.882 -1.937 3.920 1.00 0.00 N ATOM 517 CA ILE A 836 8.002 -2.862 3.798 1.00 0.00 C ATOM 518 C ILE A 836 7.526 -4.310 3.845 1.00 0.00 C ATOM 519 O ILE A 836 7.697 -5.063 2.885 1.00 0.00 O ATOM 520 CB ILE A 836 9.041 -2.639 4.913 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.602 -1.218 4.840 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.161 -3.663 4.807 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.435 -0.834 6.043 1.00 0.00 C ATOM 0 H ILE A 836 6.929 -1.322 4.732 1.00 0.00 H new ATOM 0 HA ILE A 836 8.469 -2.666 2.833 1.00 0.00 H new ATOM 0 HB ILE A 836 8.550 -2.766 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.211 -1.122 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.775 -0.514 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 836 10.887 -3.492 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.747 -4.667 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.653 -3.565 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.800 0.186 5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.824 -0.897 6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.282 -1.514 6.131 1.00 0.00 H new ATOM 535 N VAL A 837 6.926 -4.694 4.967 1.00 0.00 N ATOM 536 CA VAL A 837 6.421 -6.052 5.138 1.00 0.00 C ATOM 537 C VAL A 837 5.554 -6.469 3.955 1.00 0.00 C ATOM 538 O VAL A 837 5.608 -7.614 3.507 1.00 0.00 O ATOM 539 CB VAL A 837 5.601 -6.187 6.435 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.872 -7.521 6.469 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.500 -6.029 7.652 1.00 0.00 C ATOM 0 H VAL A 837 6.778 -4.084 5.771 1.00 0.00 H new ATOM 0 HA VAL A 837 7.290 -6.708 5.197 1.00 0.00 H new ATOM 0 HB VAL A 837 4.855 -5.393 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.298 -7.599 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.197 -7.589 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.597 -8.333 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.904 -6.127 8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.270 -6.800 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.971 -5.046 7.632 1.00 0.00 H new ATOM 551 N ARG A 838 4.756 -5.532 3.454 1.00 0.00 N ATOM 552 CA ARG A 838 3.876 -5.803 2.324 1.00 0.00 C ATOM 553 C ARG A 838 4.685 -6.075 1.059 1.00 0.00 C ATOM 554 O ARG A 838 4.316 -6.923 0.245 1.00 0.00 O ATOM 555 CB ARG A 838 2.930 -4.624 2.093 1.00 0.00 C ATOM 556 CG ARG A 838 1.689 -4.657 2.970 1.00 0.00 C ATOM 557 CD ARG A 838 0.774 -5.814 2.597 1.00 0.00 C ATOM 558 NE ARG A 838 -0.494 -5.764 3.320 1.00 0.00 N ATOM 559 CZ ARG A 838 -1.420 -6.713 3.246 1.00 0.00 C ATOM 560 NH1 ARG A 838 -1.220 -7.780 2.485 1.00 0.00 N ATOM 561 NH2 ARG A 838 -2.548 -6.596 3.934 1.00 0.00 N ATOM 0 H ARG A 838 4.701 -4.579 3.813 1.00 0.00 H new ATOM 0 HA ARG A 838 3.289 -6.691 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.470 -3.695 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.625 -4.614 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.983 -4.747 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.147 -3.716 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 838 0.581 -5.792 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 838 1.277 -6.757 2.811 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.678 -4.956 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.354 -7.873 1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.933 -8.508 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -2.705 -5.776 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -3.259 -7.326 3.876 1.00 0.00 H new ATOM 575 N ILE A 839 5.787 -5.351 0.900 1.00 0.00 N ATOM 576 CA ILE A 839 6.647 -5.515 -0.265 1.00 0.00 C ATOM 577 C ILE A 839 7.479 -6.788 -0.160 1.00 0.00 C ATOM 578 O ILE A 839 7.371 -7.684 -0.997 1.00 0.00 O ATOM 579 CB ILE A 839 7.592 -4.311 -0.442 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.785 -3.030 -0.664 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.545 -4.551 -1.603 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.509 -1.776 -0.226 1.00 0.00 C ATOM 0 H ILE A 839 6.106 -4.645 1.563 1.00 0.00 H new ATOM 0 HA ILE A 839 5.991 -5.583 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 839 8.181 -4.194 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.537 -2.946 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.843 -3.105 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.206 -3.691 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.140 -5.443 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.973 -4.691 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.878 -0.907 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.734 -1.839 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.438 -1.677 -0.788 1.00 0.00 H new ATOM 594 N MET A 840 8.308 -6.862 0.876 1.00 0.00 N ATOM 595 CA MET A 840 9.157 -8.028 1.094 1.00 0.00 C ATOM 596 C MET A 840 8.350 -9.317 0.976 1.00 0.00 C ATOM 597 O MET A 840 8.695 -10.210 0.201 1.00 0.00 O ATOM 598 CB MET A 840 9.822 -7.953 2.469 1.00 0.00 C ATOM 599 CG MET A 840 10.820 -6.813 2.600 1.00 0.00 C ATOM 600 SD MET A 840 11.337 -6.535 4.305 1.00 0.00 S ATOM 601 CE MET A 840 13.113 -6.425 4.106 1.00 0.00 C ATOM 0 H MET A 840 8.410 -6.129 1.578 1.00 0.00 H new ATOM 0 HA MET A 840 9.930 -8.032 0.325 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.051 -7.839 3.231 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.331 -8.896 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.696 -7.031 1.990 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.376 -5.899 2.206 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.604 -6.894 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.409 -6.936 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.408 -5.377 4.048 1.00 0.00 H new ATOM 611 N LYS A 841 7.274 -9.409 1.750 1.00 0.00 N ATOM 612 CA LYS A 841 6.416 -10.588 1.733 1.00 0.00 C ATOM 613 C LYS A 841 6.230 -11.105 0.310 1.00 0.00 C ATOM 614 O LYS A 841 6.583 -12.243 0.002 1.00 0.00 O ATOM 615 CB LYS A 841 5.055 -10.263 2.351 1.00 0.00 C ATOM 616 CG LYS A 841 4.069 -11.417 2.292 1.00 0.00 C ATOM 617 CD LYS A 841 2.939 -11.237 3.292 1.00 0.00 C ATOM 618 CE LYS A 841 1.931 -10.204 2.813 1.00 0.00 C ATOM 619 NZ LYS A 841 0.952 -10.787 1.854 1.00 0.00 N ATOM 0 H LYS A 841 6.975 -8.680 2.398 1.00 0.00 H new ATOM 0 HA LYS A 841 6.899 -11.367 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.198 -9.971 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.627 -9.404 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.657 -11.493 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.590 -12.353 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.436 -12.191 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 841 3.349 -10.929 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.398 -9.792 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.457 -9.377 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.282 -10.051 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.458 -11.158 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.432 -11.560 2.316 1.00 0.00 H new ATOM 633 N MET A 842 5.676 -10.260 -0.554 1.00 0.00 N ATOM 634 CA MET A 842 5.446 -10.632 -1.945 1.00 0.00 C ATOM 635 C MET A 842 6.752 -11.033 -2.624 1.00 0.00 C ATOM 636 O MET A 842 6.796 -12.003 -3.381 1.00 0.00 O ATOM 637 CB MET A 842 4.799 -9.472 -2.705 1.00 0.00 C ATOM 638 CG MET A 842 3.324 -9.284 -2.386 1.00 0.00 C ATOM 639 SD MET A 842 2.713 -7.656 -2.861 1.00 0.00 S ATOM 640 CE MET A 842 1.285 -8.105 -3.845 1.00 0.00 C ATOM 0 H MET A 842 5.378 -9.314 -0.315 1.00 0.00 H new ATOM 0 HA MET A 842 4.772 -11.488 -1.959 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.333 -8.551 -2.470 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.912 -9.642 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 842 2.744 -10.050 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.166 -9.430 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.798 -7.202 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A 842 1.603 -8.715 -4.690 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.584 -8.672 -3.232 1.00 0.00 H new ATOM 650 N ARG A 843 7.813 -10.281 -2.347 1.00 0.00 N ATOM 651 CA ARG A 843 9.119 -10.559 -2.932 1.00 0.00 C ATOM 652 C ARG A 843 10.000 -11.331 -1.954 1.00 0.00 C ATOM 653 O ARG A 843 10.649 -10.743 -1.089 1.00 0.00 O ATOM 654 CB ARG A 843 9.808 -9.254 -3.335 1.00 0.00 C ATOM 655 CG ARG A 843 8.939 -8.344 -4.188 1.00 0.00 C ATOM 656 CD ARG A 843 9.053 -8.689 -5.665 1.00 0.00 C ATOM 657 NE ARG A 843 7.876 -8.263 -6.418 1.00 0.00 N ATOM 658 CZ ARG A 843 6.698 -8.871 -6.346 1.00 0.00 C ATOM 659 NH1 ARG A 843 6.539 -9.926 -5.559 1.00 0.00 N ATOM 660 NH2 ARG A 843 5.674 -8.424 -7.063 1.00 0.00 N ATOM 0 H ARG A 843 7.793 -9.475 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 843 8.969 -11.173 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.106 -8.717 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.720 -9.489 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.899 -8.431 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.234 -7.306 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 843 9.941 -8.214 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 843 9.185 -9.765 -5.777 1.00 0.00 H new ATOM 0 HE ARG A 843 7.964 -7.454 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 843 7.323 -10.273 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 843 5.633 -10.391 -5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 843 5.792 -7.613 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 843 4.769 -8.892 -7.007 1.00 0.00 H new ATOM 674 N LYS A 844 10.017 -12.652 -2.098 1.00 0.00 N ATOM 675 CA LYS A 844 10.818 -13.506 -1.229 1.00 0.00 C ATOM 676 C LYS A 844 12.119 -12.815 -0.836 1.00 0.00 C ATOM 677 O LYS A 844 12.419 -12.659 0.348 1.00 0.00 O ATOM 678 CB LYS A 844 11.123 -14.834 -1.926 1.00 0.00 C ATOM 679 CG LYS A 844 10.042 -15.884 -1.734 1.00 0.00 C ATOM 680 CD LYS A 844 8.784 -15.537 -2.513 1.00 0.00 C ATOM 681 CE LYS A 844 7.988 -16.783 -2.871 1.00 0.00 C ATOM 682 NZ LYS A 844 6.542 -16.482 -3.061 1.00 0.00 N ATOM 0 H LYS A 844 9.485 -13.154 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 844 10.244 -13.701 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.256 -14.653 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 844 12.068 -15.224 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 844 10.415 -16.856 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.802 -15.972 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 844 8.163 -14.865 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 844 9.055 -15.003 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 844 8.391 -17.221 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.104 -17.527 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.034 -17.357 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.151 -16.087 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.429 -15.791 -3.830 1.00 0.00 H new ATOM 696 N THR A 845 12.890 -12.401 -1.837 1.00 0.00 N ATOM 697 CA THR A 845 14.159 -11.726 -1.597 1.00 0.00 C ATOM 698 C THR A 845 14.196 -10.364 -2.280 1.00 0.00 C ATOM 699 O THR A 845 13.855 -10.239 -3.458 1.00 0.00 O ATOM 700 CB THR A 845 15.347 -12.570 -2.094 1.00 0.00 C ATOM 701 OG1 THR A 845 15.349 -13.845 -1.443 1.00 0.00 O ATOM 702 CG2 THR A 845 16.665 -11.858 -1.829 1.00 0.00 C ATOM 0 H THR A 845 12.657 -12.522 -2.823 1.00 0.00 H new ATOM 0 HA THR A 845 14.245 -11.590 -0.519 1.00 0.00 H new ATOM 0 HB THR A 845 15.238 -12.712 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.937 -13.811 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.490 -12.473 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.673 -10.901 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.778 -11.689 -0.758 1.00 0.00 H new ATOM 710 N LEU A 846 14.612 -9.345 -1.537 1.00 0.00 N ATOM 711 CA LEU A 846 14.694 -7.990 -2.072 1.00 0.00 C ATOM 712 C LEU A 846 15.885 -7.243 -1.481 1.00 0.00 C ATOM 713 O LEU A 846 16.272 -7.477 -0.337 1.00 0.00 O ATOM 714 CB LEU A 846 13.402 -7.226 -1.780 1.00 0.00 C ATOM 715 CG LEU A 846 13.048 -6.106 -2.760 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.609 -6.685 -4.096 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.960 -5.214 -2.180 1.00 0.00 C ATOM 0 H LEU A 846 14.898 -9.431 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 846 14.831 -8.059 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.578 -7.939 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.475 -6.797 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 846 13.938 -5.499 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.361 -5.874 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.418 -7.281 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.732 -7.316 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.721 -4.423 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.068 -5.809 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.311 -4.771 -1.248 1.00 0.00 H new ATOM 729 N SER A 847 16.462 -6.341 -2.270 1.00 0.00 N ATOM 730 CA SER A 847 17.610 -5.560 -1.825 1.00 0.00 C ATOM 731 C SER A 847 17.167 -4.206 -1.279 1.00 0.00 C ATOM 732 O SER A 847 16.065 -3.737 -1.566 1.00 0.00 O ATOM 733 CB SER A 847 18.594 -5.359 -2.979 1.00 0.00 C ATOM 734 OG SER A 847 19.442 -6.485 -3.127 1.00 0.00 O ATOM 0 H SER A 847 16.153 -6.134 -3.220 1.00 0.00 H new ATOM 0 HA SER A 847 18.105 -6.111 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.044 -5.189 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.195 -4.468 -2.798 1.00 0.00 H new ATOM 0 HG SER A 847 20.061 -6.333 -3.872 1.00 0.00 H new ATOM 740 N HIS A 848 18.035 -3.581 -0.488 1.00 0.00 N ATOM 741 CA HIS A 848 17.734 -2.280 0.099 1.00 0.00 C ATOM 742 C HIS A 848 17.218 -1.312 -0.961 1.00 0.00 C ATOM 743 O HIS A 848 16.201 -0.648 -0.765 1.00 0.00 O ATOM 744 CB HIS A 848 18.979 -1.702 0.772 1.00 0.00 C ATOM 745 CG HIS A 848 18.728 -0.409 1.486 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.485 -0.332 2.841 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.685 0.863 1.024 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.302 0.931 3.182 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.418 1.677 2.098 1.00 0.00 N ATOM 0 H HIS A 848 18.951 -3.954 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 848 16.955 -2.418 0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.369 -2.430 1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.751 -1.547 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.833 1.179 0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.093 1.292 4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.325 2.692 2.064 1.00 0.00 H new ATOM 757 N ASN A 849 17.927 -1.237 -2.083 1.00 0.00 N ATOM 758 CA ASN A 849 17.540 -0.349 -3.173 1.00 0.00 C ATOM 759 C ASN A 849 16.106 -0.621 -3.614 1.00 0.00 C ATOM 760 O ASN A 849 15.213 0.201 -3.404 1.00 0.00 O ATOM 761 CB ASN A 849 18.492 -0.519 -4.359 1.00 0.00 C ATOM 762 CG ASN A 849 18.082 0.320 -5.554 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.393 1.330 -5.410 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.506 -0.096 -6.742 1.00 0.00 N ATOM 0 H ASN A 849 18.772 -1.780 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 849 17.601 0.677 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.501 -0.243 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.523 -1.569 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.262 0.428 -7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.075 -0.939 -6.814 1.00 0.00 H new ATOM 771 N LEU A 850 15.891 -1.780 -4.227 1.00 0.00 N ATOM 772 CA LEU A 850 14.565 -2.163 -4.698 1.00 0.00 C ATOM 773 C LEU A 850 13.504 -1.860 -3.645 1.00 0.00 C ATOM 774 O LEU A 850 12.359 -1.548 -3.973 1.00 0.00 O ATOM 775 CB LEU A 850 14.537 -3.651 -5.053 1.00 0.00 C ATOM 776 CG LEU A 850 14.954 -4.008 -6.480 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.960 -3.444 -7.483 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.357 -3.496 -6.770 1.00 0.00 C ATOM 0 H LEU A 850 16.619 -2.471 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 850 14.342 -1.579 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.191 -4.182 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.527 -4.025 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 850 14.959 -5.094 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.273 -3.708 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.971 -3.860 -7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.922 -2.359 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.637 -3.759 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.380 -2.412 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.061 -3.949 -6.072 1.00 0.00 H new ATOM 790 N LEU A 851 13.893 -1.952 -2.378 1.00 0.00 N ATOM 791 CA LEU A 851 12.977 -1.685 -1.275 1.00 0.00 C ATOM 792 C LEU A 851 12.676 -0.194 -1.165 1.00 0.00 C ATOM 793 O LEU A 851 11.543 0.239 -1.380 1.00 0.00 O ATOM 794 CB LEU A 851 13.568 -2.196 0.041 1.00 0.00 C ATOM 795 CG LEU A 851 12.698 -2.011 1.284 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.459 -2.889 1.204 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.494 -2.323 2.543 1.00 0.00 C ATOM 0 H LEU A 851 14.837 -2.210 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 851 12.044 -2.211 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.786 -3.258 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.519 -1.691 0.209 1.00 0.00 H new ATOM 0 HG LEU A 851 12.378 -0.970 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 851 10.852 -2.744 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 851 10.878 -2.619 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.758 -3.935 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 851 12.859 -2.186 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 851 13.844 -3.355 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.350 -1.652 2.608 1.00 0.00 H new ATOM 809 N VAL A 852 13.698 0.588 -0.831 1.00 0.00 N ATOM 810 CA VAL A 852 13.543 2.032 -0.697 1.00 0.00 C ATOM 811 C VAL A 852 12.599 2.585 -1.758 1.00 0.00 C ATOM 812 O VAL A 852 11.811 3.492 -1.491 1.00 0.00 O ATOM 813 CB VAL A 852 14.900 2.753 -0.805 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.184 3.142 -2.248 1.00 0.00 C ATOM 815 CG2 VAL A 852 14.926 3.976 0.100 1.00 0.00 C ATOM 0 H VAL A 852 14.641 0.246 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 852 13.120 2.215 0.291 1.00 0.00 H new ATOM 0 HB VAL A 852 15.683 2.069 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.147 3.650 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.209 2.246 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 852 14.400 3.809 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 852 15.892 4.474 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 852 14.135 4.665 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.770 3.667 1.134 1.00 0.00 H new ATOM 825 N SER A 853 12.685 2.032 -2.964 1.00 0.00 N ATOM 826 CA SER A 853 11.840 2.473 -4.068 1.00 0.00 C ATOM 827 C SER A 853 10.392 2.049 -3.847 1.00 0.00 C ATOM 828 O SER A 853 9.495 2.888 -3.759 1.00 0.00 O ATOM 829 CB SER A 853 12.354 1.901 -5.391 1.00 0.00 C ATOM 830 OG SER A 853 11.544 2.317 -6.476 1.00 0.00 O ATOM 0 H SER A 853 13.330 1.279 -3.201 1.00 0.00 H new ATOM 0 HA SER A 853 11.879 3.561 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.382 2.225 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.367 0.812 -5.339 1.00 0.00 H new ATOM 0 HG SER A 853 11.895 1.939 -7.310 1.00 0.00 H new ATOM 836 N GLU A 854 10.171 0.741 -3.756 1.00 0.00 N ATOM 837 CA GLU A 854 8.831 0.206 -3.546 1.00 0.00 C ATOM 838 C GLU A 854 8.123 0.942 -2.412 1.00 0.00 C ATOM 839 O GLU A 854 6.966 1.340 -2.543 1.00 0.00 O ATOM 840 CB GLU A 854 8.900 -1.290 -3.232 1.00 0.00 C ATOM 841 CG GLU A 854 9.381 -2.135 -4.400 1.00 0.00 C ATOM 842 CD GLU A 854 8.384 -2.175 -5.541 1.00 0.00 C ATOM 843 OE1 GLU A 854 8.292 -1.174 -6.283 1.00 0.00 O ATOM 844 OE2 GLU A 854 7.696 -3.206 -5.694 1.00 0.00 O ATOM 0 H GLU A 854 10.902 0.033 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 854 8.261 0.353 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.567 -1.444 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.912 -1.635 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.329 -1.738 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.572 -3.151 -4.054 1.00 0.00 H new ATOM 851 N VAL A 855 8.827 1.119 -1.298 1.00 0.00 N ATOM 852 CA VAL A 855 8.267 1.808 -0.142 1.00 0.00 C ATOM 853 C VAL A 855 7.815 3.217 -0.507 1.00 0.00 C ATOM 854 O VAL A 855 6.627 3.535 -0.443 1.00 0.00 O ATOM 855 CB VAL A 855 9.287 1.890 1.010 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.860 2.938 2.027 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.454 0.530 1.671 1.00 0.00 C ATOM 0 H VAL A 855 9.786 0.795 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 855 7.405 1.227 0.186 1.00 0.00 H new ATOM 0 HB VAL A 855 10.251 2.189 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.592 2.982 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.796 3.912 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.885 2.672 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.178 0.606 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.495 0.199 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.809 -0.191 0.935 1.00 0.00 H new ATOM 867 N TYR A 856 8.769 4.058 -0.890 1.00 0.00 N ATOM 868 CA TYR A 856 8.469 5.435 -1.264 1.00 0.00 C ATOM 869 C TYR A 856 7.218 5.503 -2.135 1.00 0.00 C ATOM 870 O TYR A 856 6.416 6.428 -2.017 1.00 0.00 O ATOM 871 CB TYR A 856 9.655 6.054 -2.006 1.00 0.00 C ATOM 872 CG TYR A 856 10.761 6.528 -1.091 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.476 7.264 0.053 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.092 6.239 -1.369 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.484 7.700 0.891 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.106 6.669 -0.536 1.00 0.00 C ATOM 877 CZ TYR A 856 12.797 7.400 0.593 1.00 0.00 C ATOM 878 OH TYR A 856 13.804 7.831 1.426 1.00 0.00 O ATOM 0 H TYR A 856 9.757 3.810 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 856 8.285 6.001 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.060 5.320 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.301 6.896 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.449 7.499 0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.337 5.668 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.245 8.273 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.135 6.435 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 856 13.414 8.223 2.235 1.00 0.00 H new ATOM 888 N ASN A 857 7.060 4.515 -3.010 1.00 0.00 N ATOM 889 CA ASN A 857 5.907 4.461 -3.901 1.00 0.00 C ATOM 890 C ASN A 857 4.621 4.227 -3.115 1.00 0.00 C ATOM 891 O ASN A 857 3.586 4.824 -3.407 1.00 0.00 O ATOM 892 CB ASN A 857 6.092 3.354 -4.941 1.00 0.00 C ATOM 893 CG ASN A 857 5.092 3.454 -6.076 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.175 4.276 -6.041 1.00 0.00 O ATOM 895 ND2 ASN A 857 5.264 2.616 -7.092 1.00 0.00 N ATOM 0 H ASN A 857 7.716 3.741 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 857 5.829 5.421 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.103 3.405 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 857 5.991 2.383 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 857 4.623 2.637 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 857 6.037 1.951 -7.079 1.00 0.00 H new ATOM 902 N GLN A 858 4.696 3.354 -2.115 1.00 0.00 N ATOM 903 CA GLN A 858 3.538 3.040 -1.287 1.00 0.00 C ATOM 904 C GLN A 858 3.215 4.195 -0.344 1.00 0.00 C ATOM 905 O GLN A 858 2.060 4.399 0.032 1.00 0.00 O ATOM 906 CB GLN A 858 3.791 1.764 -0.482 1.00 0.00 C ATOM 907 CG GLN A 858 3.661 0.492 -1.303 1.00 0.00 C ATOM 908 CD GLN A 858 2.285 0.332 -1.920 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.333 -0.063 -1.247 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.174 0.639 -3.207 1.00 0.00 N ATOM 0 H GLN A 858 5.546 2.852 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 858 2.684 2.882 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.791 1.808 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.088 1.723 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.411 0.497 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 858 3.872 -0.369 -0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.990 0.963 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.273 0.551 -3.676 1.00 0.00 H new ATOM 919 N LEU A 859 4.243 4.946 0.037 1.00 0.00 N ATOM 920 CA LEU A 859 4.069 6.081 0.937 1.00 0.00 C ATOM 921 C LEU A 859 4.084 7.396 0.164 1.00 0.00 C ATOM 922 O LEU A 859 5.061 7.721 -0.511 1.00 0.00 O ATOM 923 CB LEU A 859 5.169 6.088 1.999 1.00 0.00 C ATOM 924 CG LEU A 859 5.454 4.748 2.679 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.384 4.939 3.867 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.156 4.085 3.117 1.00 0.00 C ATOM 0 H LEU A 859 5.205 4.789 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 859 3.100 5.980 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.091 6.441 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.900 6.813 2.767 1.00 0.00 H new ATOM 0 HG LEU A 859 5.947 4.095 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.575 3.975 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.326 5.370 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.919 5.610 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.378 3.133 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.635 4.735 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.524 3.912 2.246 1.00 0.00 H new ATOM 938 N LYS A 860 2.995 8.151 0.270 1.00 0.00 N ATOM 939 CA LYS A 860 2.884 9.433 -0.415 1.00 0.00 C ATOM 940 C LYS A 860 3.529 10.546 0.404 1.00 0.00 C ATOM 941 O LYS A 860 3.193 11.720 0.248 1.00 0.00 O ATOM 942 CB LYS A 860 1.414 9.767 -0.679 1.00 0.00 C ATOM 943 CG LYS A 860 0.799 8.957 -1.808 1.00 0.00 C ATOM 944 CD LYS A 860 -0.719 8.980 -1.748 1.00 0.00 C ATOM 945 CE LYS A 860 -1.254 7.945 -0.770 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.016 6.555 -1.248 1.00 0.00 N ATOM 0 H LYS A 860 2.177 7.897 0.824 1.00 0.00 H new ATOM 0 HA LYS A 860 3.410 9.355 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.842 9.596 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.328 10.828 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.132 9.355 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 860 1.151 7.927 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.057 9.972 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -1.126 8.789 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.777 8.082 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -2.323 8.101 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -1.676 5.907 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.167 6.511 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.038 6.275 -1.029 1.00 0.00 H new ATOM 960 N PHE A 861 4.458 10.169 1.277 1.00 0.00 N ATOM 961 CA PHE A 861 5.152 11.136 2.120 1.00 0.00 C ATOM 962 C PHE A 861 6.625 10.768 2.271 1.00 0.00 C ATOM 963 O PHE A 861 7.003 9.597 2.258 1.00 0.00 O ATOM 964 CB PHE A 861 4.489 11.210 3.498 1.00 0.00 C ATOM 965 CG PHE A 861 4.774 10.017 4.365 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.163 8.799 4.112 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.652 10.113 5.432 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.422 7.700 4.908 1.00 0.00 C ATOM 969 CE2 PHE A 861 5.915 9.017 6.232 1.00 0.00 C ATOM 970 CZ PHE A 861 5.300 7.809 5.969 1.00 0.00 C ATOM 0 H PHE A 861 4.747 9.201 1.419 1.00 0.00 H new ATOM 0 HA PHE A 861 5.087 12.112 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.831 12.110 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.411 11.306 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.477 8.708 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.137 11.055 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 861 3.939 6.757 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.601 9.105 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 861 5.505 6.951 6.592 1.00 0.00 H new ATOM 980 N PRO A 862 7.478 11.793 2.417 1.00 0.00 N ATOM 981 CA PRO A 862 8.923 11.604 2.572 1.00 0.00 C ATOM 982 C PRO A 862 9.285 10.984 3.918 1.00 0.00 C ATOM 983 O PRO A 862 8.698 11.322 4.946 1.00 0.00 O ATOM 984 CB PRO A 862 9.480 13.026 2.472 1.00 0.00 C ATOM 985 CG PRO A 862 8.354 13.905 2.896 1.00 0.00 C ATOM 986 CD PRO A 862 7.097 13.215 2.441 1.00 0.00 C ATOM 0 HA PRO A 862 9.327 10.920 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.349 13.157 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.800 13.255 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.353 14.044 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.441 14.894 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.268 13.397 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.781 13.563 1.458 1.00 0.00 H new ATOM 994 N VAL A 863 10.255 10.075 3.904 1.00 0.00 N ATOM 995 CA VAL A 863 10.696 9.409 5.123 1.00 0.00 C ATOM 996 C VAL A 863 12.208 9.508 5.287 1.00 0.00 C ATOM 997 O VAL A 863 12.965 9.206 4.364 1.00 0.00 O ATOM 998 CB VAL A 863 10.285 7.925 5.132 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.931 7.199 6.303 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.771 7.791 5.182 1.00 0.00 C ATOM 0 H VAL A 863 10.750 9.783 3.061 1.00 0.00 H new ATOM 0 HA VAL A 863 10.210 9.918 5.955 1.00 0.00 H new ATOM 0 HB VAL A 863 10.637 7.463 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.629 6.152 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.016 7.265 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.612 7.660 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.499 6.735 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.393 8.268 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.334 8.273 4.308 1.00 0.00 H new ATOM 1010 N LYS A 864 12.644 9.932 6.469 1.00 0.00 N ATOM 1011 CA LYS A 864 14.066 10.070 6.756 1.00 0.00 C ATOM 1012 C LYS A 864 14.779 8.727 6.632 1.00 0.00 C ATOM 1013 O LYS A 864 14.181 7.662 6.793 1.00 0.00 O ATOM 1014 CB LYS A 864 14.271 10.639 8.162 1.00 0.00 C ATOM 1015 CG LYS A 864 13.813 12.080 8.308 1.00 0.00 C ATOM 1016 CD LYS A 864 13.726 12.492 9.767 1.00 0.00 C ATOM 1017 CE LYS A 864 13.783 14.004 9.923 1.00 0.00 C ATOM 1018 NZ LYS A 864 15.161 14.531 9.722 1.00 0.00 N ATOM 0 H LYS A 864 12.031 10.186 7.244 1.00 0.00 H new ATOM 0 HA LYS A 864 14.493 10.758 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.730 10.020 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.328 10.575 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.506 12.738 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.838 12.203 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 864 12.798 12.115 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.544 12.036 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.108 14.469 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 864 13.430 14.280 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 15.198 15.528 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 15.831 13.977 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 15.418 14.457 8.717 1.00 0.00 H new ATOM 1032 N PRO A 865 16.087 8.775 6.339 1.00 0.00 N ATOM 1033 CA PRO A 865 16.909 7.571 6.189 1.00 0.00 C ATOM 1034 C PRO A 865 17.132 6.851 7.515 1.00 0.00 C ATOM 1035 O PRO A 865 17.209 5.624 7.560 1.00 0.00 O ATOM 1036 CB PRO A 865 18.234 8.111 5.645 1.00 0.00 C ATOM 1037 CG PRO A 865 18.288 9.524 6.114 1.00 0.00 C ATOM 1038 CD PRO A 865 16.864 10.009 6.134 1.00 0.00 C ATOM 0 HA PRO A 865 16.435 6.833 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.080 7.536 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.268 8.053 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.736 9.589 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.898 10.133 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.695 10.728 6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.595 10.503 5.201 1.00 0.00 H new ATOM 1046 N ALA A 866 17.234 7.623 8.592 1.00 0.00 N ATOM 1047 CA ALA A 866 17.446 7.059 9.919 1.00 0.00 C ATOM 1048 C ALA A 866 16.280 6.165 10.327 1.00 0.00 C ATOM 1049 O ALA A 866 16.480 5.049 10.807 1.00 0.00 O ATOM 1050 CB ALA A 866 17.643 8.170 10.939 1.00 0.00 C ATOM 0 H ALA A 866 17.173 8.641 8.571 1.00 0.00 H new ATOM 0 HA ALA A 866 18.347 6.446 9.887 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.800 7.734 11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.512 8.767 10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.758 8.806 10.960 1.00 0.00 H new ATOM 1056 N ASP A 867 15.063 6.662 10.134 1.00 0.00 N ATOM 1057 CA ASP A 867 13.865 5.907 10.482 1.00 0.00 C ATOM 1058 C ASP A 867 13.756 4.641 9.638 1.00 0.00 C ATOM 1059 O ASP A 867 13.621 3.538 10.169 1.00 0.00 O ATOM 1060 CB ASP A 867 12.618 6.772 10.291 1.00 0.00 C ATOM 1061 CG ASP A 867 12.423 7.764 11.420 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.813 7.447 12.563 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.880 8.858 11.161 1.00 0.00 O ATOM 0 H ASP A 867 14.880 7.584 9.739 1.00 0.00 H new ATOM 0 HA ASP A 867 13.939 5.617 11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.695 7.311 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.741 6.129 10.221 1.00 0.00 H new ATOM 1068 N LEU A 868 13.814 4.807 8.321 1.00 0.00 N ATOM 1069 CA LEU A 868 13.721 3.678 7.402 1.00 0.00 C ATOM 1070 C LEU A 868 14.726 2.592 7.771 1.00 0.00 C ATOM 1071 O LEU A 868 14.349 1.464 8.091 1.00 0.00 O ATOM 1072 CB LEU A 868 13.960 4.144 5.965 1.00 0.00 C ATOM 1073 CG LEU A 868 13.753 3.091 4.875 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.272 2.912 4.580 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.508 3.476 3.611 1.00 0.00 C ATOM 0 H LEU A 868 13.925 5.713 7.866 1.00 0.00 H new ATOM 0 HA LEU A 868 12.717 3.260 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.296 4.984 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.981 4.519 5.891 1.00 0.00 H new ATOM 0 HG LEU A 868 14.148 2.141 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.144 2.159 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.757 2.590 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.852 3.859 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 868 14.349 2.715 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 868 14.144 4.437 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.573 3.552 3.832 1.00 0.00 H new ATOM 1087 N LYS A 869 16.008 2.939 7.726 1.00 0.00 N ATOM 1088 CA LYS A 869 17.069 1.996 8.058 1.00 0.00 C ATOM 1089 C LYS A 869 16.769 1.281 9.372 1.00 0.00 C ATOM 1090 O LYS A 869 16.823 0.053 9.450 1.00 0.00 O ATOM 1091 CB LYS A 869 18.413 2.721 8.155 1.00 0.00 C ATOM 1092 CG LYS A 869 19.073 2.960 6.808 1.00 0.00 C ATOM 1093 CD LYS A 869 20.556 3.253 6.959 1.00 0.00 C ATOM 1094 CE LYS A 869 21.344 1.992 7.280 1.00 0.00 C ATOM 1095 NZ LYS A 869 21.676 1.217 6.053 1.00 0.00 N ATOM 0 H LYS A 869 16.337 3.868 7.462 1.00 0.00 H new ATOM 0 HA LYS A 869 17.122 1.252 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.264 3.679 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 869 19.087 2.137 8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.937 2.084 6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.585 3.795 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.936 3.696 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.704 3.987 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 869 22.264 2.261 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.766 1.366 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 22.213 0.366 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 20.798 0.938 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 22.249 1.805 5.415 1.00 0.00 H new ATOM 1109 N LYS A 870 16.452 2.056 10.403 1.00 0.00 N ATOM 1110 CA LYS A 870 16.141 1.498 11.714 1.00 0.00 C ATOM 1111 C LYS A 870 15.027 0.461 11.613 1.00 0.00 C ATOM 1112 O LYS A 870 15.114 -0.616 12.204 1.00 0.00 O ATOM 1113 CB LYS A 870 15.730 2.611 12.680 1.00 0.00 C ATOM 1114 CG LYS A 870 16.902 3.406 13.227 1.00 0.00 C ATOM 1115 CD LYS A 870 16.435 4.584 14.066 1.00 0.00 C ATOM 1116 CE LYS A 870 17.451 5.716 14.053 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.917 6.948 14.697 1.00 0.00 N ATOM 0 H LYS A 870 16.404 3.074 10.356 1.00 0.00 H new ATOM 0 HA LYS A 870 17.037 1.007 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.048 3.291 12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.179 2.173 13.512 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.533 2.755 13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.515 3.767 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.480 4.947 13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.266 4.257 15.092 1.00 0.00 H new ATOM 0 HE2 LYS A 870 18.356 5.398 14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 870 17.735 5.938 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 17.639 7.696 14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 16.068 7.266 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 16.670 6.743 15.686 1.00 0.00 H new ATOM 1131 N ARG A 871 13.983 0.791 10.860 1.00 0.00 N ATOM 1132 CA ARG A 871 12.853 -0.113 10.681 1.00 0.00 C ATOM 1133 C ARG A 871 13.298 -1.417 10.026 1.00 0.00 C ATOM 1134 O ARG A 871 12.928 -2.504 10.470 1.00 0.00 O ATOM 1135 CB ARG A 871 11.769 0.554 9.833 1.00 0.00 C ATOM 1136 CG ARG A 871 11.082 1.718 10.527 1.00 0.00 C ATOM 1137 CD ARG A 871 10.143 1.238 11.622 1.00 0.00 C ATOM 1138 NE ARG A 871 10.840 1.027 12.888 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.260 0.525 13.972 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.980 0.183 13.945 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.962 0.363 15.087 1.00 0.00 N ATOM 0 H ARG A 871 13.896 1.678 10.364 1.00 0.00 H new ATOM 0 HA ARG A 871 12.444 -0.343 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.214 0.908 8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 871 11.020 -0.191 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.833 2.382 10.955 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.522 2.300 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.348 1.970 11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.668 0.308 11.310 1.00 0.00 H new ATOM 0 HE ARG A 871 11.827 1.279 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 871 8.437 0.305 13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 871 8.537 -0.202 14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.948 0.624 15.112 1.00 0.00 H new ATOM 0 HH22 ARG A 871 10.516 -0.023 15.919 1.00 0.00 H new ATOM 1155 N ILE A 872 14.092 -1.299 8.967 1.00 0.00 N ATOM 1156 CA ILE A 872 14.587 -2.468 8.251 1.00 0.00 C ATOM 1157 C ILE A 872 15.334 -3.412 9.188 1.00 0.00 C ATOM 1158 O ILE A 872 14.912 -4.547 9.407 1.00 0.00 O ATOM 1159 CB ILE A 872 15.522 -2.066 7.094 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.779 -1.175 6.097 1.00 0.00 C ATOM 1161 CG2 ILE A 872 16.069 -3.305 6.401 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.698 -0.417 5.164 1.00 0.00 C ATOM 0 H ILE A 872 14.406 -0.406 8.586 1.00 0.00 H new ATOM 0 HA ILE A 872 13.715 -2.979 7.843 1.00 0.00 H new ATOM 0 HB ILE A 872 16.361 -1.502 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 872 14.102 -1.791 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.164 -0.462 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.728 -3.005 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.629 -3.906 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.243 -3.893 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.104 0.194 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.358 0.225 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.295 -1.124 4.588 1.00 0.00 H new ATOM 1174 N GLU A 873 16.444 -2.933 9.740 1.00 0.00 N ATOM 1175 CA GLU A 873 17.249 -3.734 10.655 1.00 0.00 C ATOM 1176 C GLU A 873 16.370 -4.407 11.706 1.00 0.00 C ATOM 1177 O GLU A 873 16.396 -5.627 11.863 1.00 0.00 O ATOM 1178 CB GLU A 873 18.304 -2.862 11.339 1.00 0.00 C ATOM 1179 CG GLU A 873 19.258 -2.188 10.368 1.00 0.00 C ATOM 1180 CD GLU A 873 20.103 -1.116 11.030 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.578 -1.348 12.161 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.288 -0.044 10.416 1.00 0.00 O ATOM 0 H GLU A 873 16.806 -1.995 9.570 1.00 0.00 H new ATOM 0 HA GLU A 873 17.750 -4.509 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.802 -2.097 11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.878 -3.477 12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.912 -2.940 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.687 -1.744 9.553 1.00 0.00 H new ATOM 1189 N SER A 874 15.593 -3.601 12.422 1.00 0.00 N ATOM 1190 CA SER A 874 14.709 -4.117 13.461 1.00 0.00 C ATOM 1191 C SER A 874 13.880 -5.286 12.938 1.00 0.00 C ATOM 1192 O SER A 874 13.878 -6.371 13.522 1.00 0.00 O ATOM 1193 CB SER A 874 13.784 -3.009 13.970 1.00 0.00 C ATOM 1194 OG SER A 874 14.498 -2.071 14.758 1.00 0.00 O ATOM 0 H SER A 874 15.557 -2.589 12.302 1.00 0.00 H new ATOM 0 HA SER A 874 15.327 -4.472 14.286 1.00 0.00 H new ATOM 0 HB2 SER A 874 13.321 -2.501 13.124 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.978 -3.446 14.560 1.00 0.00 H new ATOM 0 HG SER A 874 14.877 -1.378 14.178 1.00 0.00 H new ATOM 1200 N LEU A 875 13.177 -5.057 11.835 1.00 0.00 N ATOM 1201 CA LEU A 875 12.343 -6.091 11.231 1.00 0.00 C ATOM 1202 C LEU A 875 13.132 -7.381 11.034 1.00 0.00 C ATOM 1203 O LEU A 875 12.685 -8.459 11.427 1.00 0.00 O ATOM 1204 CB LEU A 875 11.790 -5.608 9.889 1.00 0.00 C ATOM 1205 CG LEU A 875 10.690 -4.548 9.959 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.533 -3.854 8.615 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.373 -5.172 10.396 1.00 0.00 C ATOM 0 H LEU A 875 13.167 -4.165 11.340 1.00 0.00 H new ATOM 0 HA LEU A 875 11.513 -6.295 11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.616 -5.207 9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.402 -6.470 9.347 1.00 0.00 H new ATOM 0 HG LEU A 875 10.978 -3.802 10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.746 -3.103 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.472 -3.372 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 875 10.268 -4.589 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.603 -4.402 10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 875 9.079 -5.939 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.493 -5.622 11.382 1.00 0.00 H new ATOM 1219 N ILE A 876 14.307 -7.263 10.426 1.00 0.00 N ATOM 1220 CA ILE A 876 15.160 -8.420 10.181 1.00 0.00 C ATOM 1221 C ILE A 876 15.362 -9.233 11.455 1.00 0.00 C ATOM 1222 O ILE A 876 15.306 -10.463 11.434 1.00 0.00 O ATOM 1223 CB ILE A 876 16.535 -7.999 9.630 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.369 -7.232 8.316 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.421 -9.219 9.429 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.649 -6.595 7.823 1.00 0.00 C ATOM 0 H ILE A 876 14.691 -6.378 10.094 1.00 0.00 H new ATOM 0 HA ILE A 876 14.653 -9.035 9.437 1.00 0.00 H new ATOM 0 HB ILE A 876 17.015 -7.341 10.355 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.994 -7.913 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.615 -6.457 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.389 -8.905 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.561 -9.728 10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.948 -9.899 8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.457 -6.069 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 876 18.015 -5.889 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.399 -7.368 7.657 1.00 0.00 H new ATOM 1238 N ASP A 877 15.597 -8.539 12.563 1.00 0.00 N ATOM 1239 CA ASP A 877 15.805 -9.196 13.848 1.00 0.00 C ATOM 1240 C ASP A 877 14.477 -9.648 14.448 1.00 0.00 C ATOM 1241 O ASP A 877 14.448 -10.455 15.377 1.00 0.00 O ATOM 1242 CB ASP A 877 16.523 -8.255 14.816 1.00 0.00 C ATOM 1243 CG ASP A 877 17.342 -9.002 15.849 1.00 0.00 C ATOM 1244 OD1 ASP A 877 16.756 -9.465 16.849 1.00 0.00 O ATOM 1245 OD2 ASP A 877 18.571 -9.123 15.658 1.00 0.00 O ATOM 0 H ASP A 877 15.648 -7.521 12.597 1.00 0.00 H new ATOM 0 HA ASP A 877 16.426 -10.076 13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.175 -7.588 14.253 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.788 -7.630 15.322 1.00 0.00 H new ATOM 1250 N ARG A 878 13.381 -9.121 13.912 1.00 0.00 N ATOM 1251 CA ARG A 878 12.051 -9.468 14.396 1.00 0.00 C ATOM 1252 C ARG A 878 11.576 -10.784 13.786 1.00 0.00 C ATOM 1253 O ARG A 878 10.389 -11.106 13.827 1.00 0.00 O ATOM 1254 CB ARG A 878 11.057 -8.353 14.066 1.00 0.00 C ATOM 1255 CG ARG A 878 10.945 -7.296 15.152 1.00 0.00 C ATOM 1256 CD ARG A 878 9.696 -6.446 14.976 1.00 0.00 C ATOM 1257 NE ARG A 878 9.945 -5.274 14.141 1.00 0.00 N ATOM 1258 CZ ARG A 878 10.624 -4.209 14.553 1.00 0.00 C ATOM 1259 NH1 ARG A 878 11.120 -4.170 15.782 1.00 0.00 N ATOM 1260 NH2 ARG A 878 10.809 -3.182 13.734 1.00 0.00 N ATOM 0 H ARG A 878 13.388 -8.452 13.142 1.00 0.00 H new ATOM 0 HA ARG A 878 12.106 -9.588 15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.358 -7.874 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 878 10.074 -8.793 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.924 -7.778 16.129 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.827 -6.657 15.131 1.00 0.00 H new ATOM 0 HD2 ARG A 878 8.907 -7.050 14.528 1.00 0.00 H new ATOM 0 HD3 ARG A 878 9.335 -6.125 15.953 1.00 0.00 H new ATOM 0 HE ARG A 878 9.578 -5.273 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 878 10.981 -4.959 16.413 1.00 0.00 H new ATOM 0 HH12 ARG A 878 11.641 -3.351 16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.430 -3.210 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 878 11.330 -2.365 14.051 1.00 0.00 H new ATOM 1274 N ASP A 879 12.512 -11.539 13.221 1.00 0.00 N ATOM 1275 CA ASP A 879 12.190 -12.820 12.603 1.00 0.00 C ATOM 1276 C ASP A 879 11.282 -12.626 11.392 1.00 0.00 C ATOM 1277 O ASP A 879 10.232 -13.260 11.283 1.00 0.00 O ATOM 1278 CB ASP A 879 11.516 -13.746 13.618 1.00 0.00 C ATOM 1279 CG ASP A 879 12.342 -13.924 14.876 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.577 -13.755 14.803 1.00 0.00 O ATOM 1281 OD2 ASP A 879 11.754 -14.234 15.933 1.00 0.00 O ATOM 0 H ASP A 879 13.499 -11.286 13.178 1.00 0.00 H new ATOM 0 HA ASP A 879 13.121 -13.278 12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 879 10.539 -13.341 13.882 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.344 -14.720 13.159 1.00 0.00 H new ATOM 1286 N TYR A 880 11.694 -11.747 10.486 1.00 0.00 N ATOM 1287 CA TYR A 880 10.917 -11.466 9.285 1.00 0.00 C ATOM 1288 C TYR A 880 11.787 -11.572 8.036 1.00 0.00 C ATOM 1289 O TYR A 880 11.332 -12.025 6.986 1.00 0.00 O ATOM 1290 CB TYR A 880 10.293 -10.072 9.369 1.00 0.00 C ATOM 1291 CG TYR A 880 9.072 -10.007 10.257 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.816 -10.348 9.772 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.174 -9.607 11.584 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.697 -10.289 10.580 1.00 0.00 C ATOM 1295 CE2 TYR A 880 8.061 -9.547 12.400 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.825 -9.888 11.893 1.00 0.00 C ATOM 1297 OH TYR A 880 5.713 -9.830 12.702 1.00 0.00 O ATOM 0 H TYR A 880 12.562 -11.216 10.560 1.00 0.00 H new ATOM 0 HA TYR A 880 10.122 -12.208 9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 880 11.040 -9.371 9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 880 10.020 -9.744 8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.712 -10.665 8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 880 10.140 -9.338 11.984 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.728 -10.555 10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 880 8.158 -9.235 13.429 1.00 0.00 H new ATOM 0 HH TYR A 880 5.975 -9.530 13.597 1.00 0.00 H new ATOM 1307 N MET A 881 13.041 -11.152 8.159 1.00 0.00 N ATOM 1308 CA MET A 881 13.977 -11.201 7.042 1.00 0.00 C ATOM 1309 C MET A 881 15.375 -11.580 7.519 1.00 0.00 C ATOM 1310 O MET A 881 15.784 -11.214 8.621 1.00 0.00 O ATOM 1311 CB MET A 881 14.019 -9.850 6.325 1.00 0.00 C ATOM 1312 CG MET A 881 12.651 -9.350 5.890 1.00 0.00 C ATOM 1313 SD MET A 881 11.943 -10.333 4.555 1.00 0.00 S ATOM 1314 CE MET A 881 12.839 -9.686 3.146 1.00 0.00 C ATOM 0 H MET A 881 13.433 -10.774 9.021 1.00 0.00 H new ATOM 0 HA MET A 881 13.632 -11.964 6.345 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.474 -9.111 6.985 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.662 -9.933 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.975 -9.365 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.734 -8.312 5.567 1.00 0.00 H new ATOM 0 HE1 MET A 881 13.099 -10.503 2.473 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.215 -8.966 2.617 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.750 -9.194 3.488 1.00 0.00 H new ATOM 1324 N GLU A 882 16.102 -12.315 6.684 1.00 0.00 N ATOM 1325 CA GLU A 882 17.454 -12.744 7.023 1.00 0.00 C ATOM 1326 C GLU A 882 18.478 -12.101 6.093 1.00 0.00 C ATOM 1327 O GLU A 882 18.231 -11.938 4.898 1.00 0.00 O ATOM 1328 CB GLU A 882 17.564 -14.268 6.945 1.00 0.00 C ATOM 1329 CG GLU A 882 17.294 -14.828 5.559 1.00 0.00 C ATOM 1330 CD GLU A 882 17.807 -16.245 5.392 1.00 0.00 C ATOM 1331 OE1 GLU A 882 19.022 -16.413 5.154 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.994 -17.186 5.499 1.00 0.00 O ATOM 0 H GLU A 882 15.778 -12.626 5.768 1.00 0.00 H new ATOM 0 HA GLU A 882 17.664 -12.424 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.563 -14.568 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.861 -14.711 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.221 -14.809 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.763 -14.186 4.814 1.00 0.00 H new ATOM 1339 N ARG A 883 19.629 -11.738 6.650 1.00 0.00 N ATOM 1340 CA ARG A 883 20.690 -11.111 5.871 1.00 0.00 C ATOM 1341 C ARG A 883 21.445 -12.149 5.046 1.00 0.00 C ATOM 1342 O ARG A 883 22.082 -13.048 5.594 1.00 0.00 O ATOM 1343 CB ARG A 883 21.662 -10.374 6.795 1.00 0.00 C ATOM 1344 CG ARG A 883 21.119 -9.056 7.323 1.00 0.00 C ATOM 1345 CD ARG A 883 22.019 -8.475 8.402 1.00 0.00 C ATOM 1346 NE ARG A 883 21.275 -7.648 9.349 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.850 -6.927 10.305 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.169 -6.930 10.439 1.00 0.00 N ATOM 1349 NH2 ARG A 883 21.106 -6.200 11.128 1.00 0.00 N ATOM 0 H ARG A 883 19.850 -11.867 7.637 1.00 0.00 H new ATOM 0 HA ARG A 883 20.231 -10.394 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.909 -11.019 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.590 -10.185 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 883 21.027 -8.344 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.118 -9.209 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.512 -9.286 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.803 -7.877 7.937 1.00 0.00 H new ATOM 0 HE ARG A 883 20.258 -7.623 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.745 -7.487 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 883 23.608 -6.376 11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 883 20.091 -6.194 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 883 21.549 -5.647 11.862 1.00 0.00 H new ATOM 1363 N ASP A 884 21.367 -12.019 3.727 1.00 0.00 N ATOM 1364 CA ASP A 884 22.042 -12.945 2.825 1.00 0.00 C ATOM 1365 C ASP A 884 23.510 -13.103 3.209 1.00 0.00 C ATOM 1366 O ASP A 884 24.269 -12.134 3.217 1.00 0.00 O ATOM 1367 CB ASP A 884 21.930 -12.457 1.380 1.00 0.00 C ATOM 1368 CG ASP A 884 22.499 -13.451 0.387 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.554 -14.655 0.718 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.888 -13.027 -0.721 1.00 0.00 O ATOM 0 H ASP A 884 20.843 -11.281 3.258 1.00 0.00 H new ATOM 0 HA ASP A 884 21.555 -13.917 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.883 -12.270 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.454 -11.507 1.279 1.00 0.00 H new ATOM 1375 N LYS A 885 23.903 -14.332 3.529 1.00 0.00 N ATOM 1376 CA LYS A 885 25.280 -14.619 3.915 1.00 0.00 C ATOM 1377 C LYS A 885 26.263 -13.867 3.023 1.00 0.00 C ATOM 1378 O LYS A 885 27.338 -13.468 3.468 1.00 0.00 O ATOM 1379 CB LYS A 885 25.550 -16.123 3.835 1.00 0.00 C ATOM 1380 CG LYS A 885 25.187 -16.874 5.104 1.00 0.00 C ATOM 1381 CD LYS A 885 26.059 -18.104 5.293 1.00 0.00 C ATOM 1382 CE LYS A 885 27.350 -17.765 6.023 1.00 0.00 C ATOM 1383 NZ LYS A 885 27.122 -17.538 7.477 1.00 0.00 N ATOM 0 H LYS A 885 23.287 -15.145 3.529 1.00 0.00 H new ATOM 0 HA LYS A 885 25.421 -14.285 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.986 -16.541 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.606 -16.283 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.298 -16.213 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.139 -17.172 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 885 25.509 -18.858 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.293 -18.539 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 885 28.066 -18.576 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 885 27.793 -16.873 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 28.036 -17.512 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 26.628 -16.633 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 26.542 -18.311 7.862 1.00 0.00 H new ATOM 1397 N GLU A 886 25.885 -13.676 1.762 1.00 0.00 N ATOM 1398 CA GLU A 886 26.734 -12.971 0.809 1.00 0.00 C ATOM 1399 C GLU A 886 26.860 -11.496 1.180 1.00 0.00 C ATOM 1400 O GLU A 886 27.957 -10.941 1.193 1.00 0.00 O ATOM 1401 CB GLU A 886 26.171 -13.107 -0.607 1.00 0.00 C ATOM 1402 CG GLU A 886 26.700 -14.316 -1.360 1.00 0.00 C ATOM 1403 CD GLU A 886 27.983 -14.020 -2.111 1.00 0.00 C ATOM 1404 OE1 GLU A 886 27.915 -13.347 -3.160 1.00 0.00 O ATOM 1405 OE2 GLU A 886 29.056 -14.462 -1.648 1.00 0.00 O ATOM 0 H GLU A 886 24.997 -13.999 1.378 1.00 0.00 H new ATOM 0 HA GLU A 886 27.726 -13.422 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.084 -13.171 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.409 -12.205 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.875 -15.130 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.943 -14.661 -2.064 1.00 0.00 H new ATOM 1412 N ASN A 887 25.727 -10.869 1.480 1.00 0.00 N ATOM 1413 CA ASN A 887 25.710 -9.458 1.849 1.00 0.00 C ATOM 1414 C ASN A 887 24.405 -9.097 2.552 1.00 0.00 C ATOM 1415 O ASN A 887 23.333 -9.605 2.225 1.00 0.00 O ATOM 1416 CB ASN A 887 25.894 -8.582 0.609 1.00 0.00 C ATOM 1417 CG ASN A 887 27.309 -8.638 0.067 1.00 0.00 C ATOM 1418 OD1 ASN A 887 27.596 -9.376 -0.877 1.00 0.00 O ATOM 1419 ND2 ASN A 887 28.202 -7.856 0.662 1.00 0.00 N ATOM 0 H ASN A 887 24.810 -11.315 1.475 1.00 0.00 H new ATOM 0 HA ASN A 887 26.536 -9.278 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 887 25.198 -8.903 -0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 887 25.643 -7.550 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 887 29.170 -7.851 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 887 27.920 -7.261 1.441 1.00 0.00 H new ATOM 1426 N PRO A 888 24.496 -8.196 3.542 1.00 0.00 N ATOM 1427 CA PRO A 888 23.332 -7.744 4.311 1.00 0.00 C ATOM 1428 C PRO A 888 22.388 -6.882 3.481 1.00 0.00 C ATOM 1429 O PRO A 888 21.259 -6.611 3.889 1.00 0.00 O ATOM 1430 CB PRO A 888 23.953 -6.921 5.442 1.00 0.00 C ATOM 1431 CG PRO A 888 25.259 -6.455 4.899 1.00 0.00 C ATOM 1432 CD PRO A 888 25.741 -7.548 3.986 1.00 0.00 C ATOM 0 HA PRO A 888 22.723 -8.579 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.316 -6.080 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.090 -7.523 6.340 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.144 -5.516 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 888 25.973 -6.274 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.308 -7.148 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.394 -8.248 4.507 1.00 0.00 H new ATOM 1440 N ASN A 889 22.856 -6.455 2.313 1.00 0.00 N ATOM 1441 CA ASN A 889 22.053 -5.623 1.425 1.00 0.00 C ATOM 1442 C ASN A 889 20.858 -6.402 0.883 1.00 0.00 C ATOM 1443 O ASN A 889 19.803 -5.829 0.611 1.00 0.00 O ATOM 1444 CB ASN A 889 22.906 -5.105 0.265 1.00 0.00 C ATOM 1445 CG ASN A 889 23.983 -4.141 0.726 1.00 0.00 C ATOM 1446 OD1 ASN A 889 25.117 -4.540 0.990 1.00 0.00 O ATOM 1447 ND2 ASN A 889 23.631 -2.864 0.824 1.00 0.00 N ATOM 0 H ASN A 889 23.788 -6.672 1.959 1.00 0.00 H new ATOM 0 HA ASN A 889 21.682 -4.775 2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.371 -5.948 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.263 -4.608 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 889 24.313 -2.169 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 889 22.679 -2.578 0.595 1.00 0.00 H new ATOM 1454 N GLN A 890 21.032 -7.710 0.728 1.00 0.00 N ATOM 1455 CA GLN A 890 19.969 -8.567 0.219 1.00 0.00 C ATOM 1456 C GLN A 890 19.279 -9.313 1.356 1.00 0.00 C ATOM 1457 O GLN A 890 19.903 -10.107 2.061 1.00 0.00 O ATOM 1458 CB GLN A 890 20.531 -9.566 -0.794 1.00 0.00 C ATOM 1459 CG GLN A 890 19.567 -10.690 -1.140 1.00 0.00 C ATOM 1460 CD GLN A 890 19.776 -11.227 -2.542 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.007 -10.711 -3.494 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.619 -12.096 -2.768 1.00 0.00 N flip ATOM 0 H GLN A 890 21.900 -8.199 0.948 1.00 0.00 H new ATOM 0 HA GLN A 890 19.233 -7.934 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.798 -9.034 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.450 -9.996 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.688 -11.501 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.543 -10.329 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 890 21.188 -12.465 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.748 -12.447 -3.717 1.00 0.00 H new ATOM 1471 N TYR A 891 17.988 -9.052 1.530 1.00 0.00 N ATOM 1472 CA TYR A 891 17.213 -9.697 2.584 1.00 0.00 C ATOM 1473 C TYR A 891 16.296 -10.771 2.007 1.00 0.00 C ATOM 1474 O TYR A 891 15.704 -10.591 0.944 1.00 0.00 O ATOM 1475 CB TYR A 891 16.386 -8.659 3.346 1.00 0.00 C ATOM 1476 CG TYR A 891 17.125 -7.365 3.601 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.193 -7.315 4.489 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.756 -6.192 2.953 1.00 0.00 C ATOM 1479 CE1 TYR A 891 18.870 -6.134 4.726 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.429 -5.008 3.183 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.485 -4.984 4.070 1.00 0.00 C ATOM 1482 OH TYR A 891 19.158 -3.806 4.302 1.00 0.00 O ATOM 0 H TYR A 891 17.456 -8.399 0.955 1.00 0.00 H new ATOM 0 HA TYR A 891 17.910 -10.173 3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.479 -8.444 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.075 -9.084 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.499 -8.215 5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 891 15.929 -6.207 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.696 -6.112 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.130 -4.105 2.671 1.00 0.00 H new ATOM 0 HH TYR A 891 18.763 -3.091 3.761 1.00 0.00 H new ATOM 1492 N ASN A 892 16.184 -11.888 2.719 1.00 0.00 N ATOM 1493 CA ASN A 892 15.339 -12.992 2.278 1.00 0.00 C ATOM 1494 C ASN A 892 14.097 -13.111 3.158 1.00 0.00 C ATOM 1495 O ASN A 892 14.131 -12.784 4.344 1.00 0.00 O ATOM 1496 CB ASN A 892 16.124 -14.305 2.305 1.00 0.00 C ATOM 1497 CG ASN A 892 17.410 -14.225 1.506 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.394 -13.937 0.309 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.534 -14.481 2.166 1.00 0.00 N ATOM 0 H ASN A 892 16.667 -12.052 3.602 1.00 0.00 H new ATOM 0 HA ASN A 892 15.021 -12.788 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.356 -14.565 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.501 -15.106 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.430 -14.443 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.501 -14.716 3.158 1.00 0.00 H new ATOM 1506 N TYR A 893 13.005 -13.583 2.568 1.00 0.00 N ATOM 1507 CA TYR A 893 11.752 -13.744 3.297 1.00 0.00 C ATOM 1508 C TYR A 893 11.783 -14.999 4.163 1.00 0.00 C ATOM 1509 O TYR A 893 12.040 -16.099 3.672 1.00 0.00 O ATOM 1510 CB TYR A 893 10.576 -13.813 2.321 1.00 0.00 C ATOM 1511 CG TYR A 893 9.225 -13.783 2.999 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.842 -12.701 3.783 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.331 -14.837 2.858 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.609 -12.670 4.405 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.095 -14.814 3.475 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.739 -13.728 4.247 1.00 0.00 C ATOM 1517 OH TYR A 893 5.509 -13.702 4.865 1.00 0.00 O ATOM 0 H TYR A 893 12.962 -13.861 1.588 1.00 0.00 H new ATOM 0 HA TYR A 893 11.626 -12.879 3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.643 -12.977 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.657 -14.726 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.520 -11.870 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.607 -15.690 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.328 -11.822 5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.412 -15.641 3.353 1.00 0.00 H new ATOM 0 HH TYR A 893 5.018 -14.523 4.651 1.00 0.00 H new ATOM 1527 N ILE A 894 11.519 -14.826 5.454 1.00 0.00 N ATOM 1528 CA ILE A 894 11.515 -15.944 6.389 1.00 0.00 C ATOM 1529 C ILE A 894 10.173 -16.058 7.103 1.00 0.00 C ATOM 1530 O ILE A 894 9.755 -17.149 7.489 1.00 0.00 O ATOM 1531 CB ILE A 894 12.633 -15.803 7.439 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.658 -14.380 8.001 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.980 -16.163 6.831 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.666 -14.187 9.113 1.00 0.00 C ATOM 0 H ILE A 894 11.305 -13.922 5.876 1.00 0.00 H new ATOM 0 HA ILE A 894 11.690 -16.847 5.803 1.00 0.00 H new ATOM 0 HB ILE A 894 12.431 -16.493 8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.882 -13.683 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.665 -14.128 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.759 -16.058 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.955 -17.193 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.192 -15.496 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.629 -13.155 9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.430 -14.859 9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.666 -14.407 8.740 1.00 0.00 H new ATOM 1546 N ALA A 895 9.501 -14.924 7.274 1.00 0.00 N ATOM 1547 CA ALA A 895 8.204 -14.897 7.938 1.00 0.00 C ATOM 1548 C ALA A 895 7.199 -15.789 7.215 1.00 0.00 C ATOM 1549 O ALA A 895 7.527 -16.426 6.215 1.00 0.00 O ATOM 1550 CB ALA A 895 7.683 -13.470 8.020 1.00 0.00 C ATOM 0 H ALA A 895 9.834 -14.012 6.962 1.00 0.00 H new ATOM 0 HA ALA A 895 8.332 -15.284 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.714 -13.465 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.385 -12.858 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.576 -13.063 7.014 1.00 0.00 H new