USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 39 CYS SG : rot 70:sc= -4.97! USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.467 (180deg=-0.134) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -1.94 F(o=-3.2,f=-1.9) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.2) USER MOD Single : A 78 CYS SG : rot -104:sc= -10.1! USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00839) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -30:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 6.993 1.824 -5.451 1.00 1.00 N ATOM 352 CA GLU A 21 6.356 2.159 -4.139 1.00 1.00 C ATOM 353 C GLU A 21 6.341 0.917 -3.238 1.00 1.00 C ATOM 354 O GLU A 21 6.685 -0.175 -3.660 1.00 1.00 O ATOM 355 CB GLU A 21 4.921 2.641 -4.376 1.00 1.00 C ATOM 356 CG GLU A 21 4.947 4.056 -4.965 1.00 1.00 C ATOM 357 CD GLU A 21 3.667 4.802 -4.573 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.629 5.343 -3.479 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.747 4.821 -5.375 1.00 1.00 O ATOM 0 HA GLU A 21 6.928 2.948 -3.651 1.00 1.00 H new ATOM 0 HB2 GLU A 21 4.406 1.962 -5.056 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.365 2.636 -3.438 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.821 4.596 -4.600 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.033 4.007 -6.050 1.00 1.00 H new ATOM 366 N ILE A 22 5.944 1.079 -1.999 1.00 1.00 N ATOM 367 CA ILE A 22 5.899 -0.067 -1.056 1.00 1.00 C ATOM 368 C ILE A 22 4.422 -0.395 -0.775 1.00 1.00 C ATOM 369 O ILE A 22 3.554 0.425 -1.030 1.00 1.00 O ATOM 370 CB ILE A 22 6.655 0.357 0.204 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.107 -0.122 0.095 1.00 1.00 C ATOM 372 CG2 ILE A 22 6.006 -0.232 1.444 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.988 1.020 -0.417 1.00 1.00 C ATOM 0 H ILE A 22 5.647 1.970 -1.602 1.00 1.00 H new ATOM 0 HA ILE A 22 6.367 -0.967 -1.456 1.00 1.00 H new ATOM 0 HB ILE A 22 6.627 1.443 0.291 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.463 -0.461 1.068 1.00 1.00 H new ATOM 0 HG13 ILE A 22 8.169 -0.974 -0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.560 0.082 2.329 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.976 0.118 1.517 1.00 1.00 H new ATOM 0 HG23 ILE A 22 6.015 -1.320 1.378 1.00 1.00 H new ATOM 0 HD11 ILE A 22 10.020 0.677 -0.494 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.637 1.338 -1.399 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.935 1.859 0.276 1.00 1.00 H new ATOM 385 N LEU A 23 4.106 -1.577 -0.275 1.00 1.00 N ATOM 386 CA LEU A 23 2.634 -1.879 -0.033 1.00 1.00 C ATOM 387 C LEU A 23 2.436 -2.292 1.417 1.00 1.00 C ATOM 388 O LEU A 23 3.042 -3.244 1.855 1.00 1.00 O ATOM 389 CB LEU A 23 2.106 -3.004 -0.960 1.00 1.00 C ATOM 390 CG LEU A 23 3.211 -3.683 -1.802 1.00 1.00 C ATOM 391 CD1 LEU A 23 3.895 -2.664 -2.719 1.00 1.00 C ATOM 392 CD2 LEU A 23 4.247 -4.352 -0.891 1.00 1.00 C ATOM 0 H LEU A 23 4.763 -2.318 -0.032 1.00 1.00 H new ATOM 0 HA LEU A 23 2.071 -0.973 -0.256 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.608 -3.760 -0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.354 -2.588 -1.631 1.00 1.00 H new ATOM 0 HG LEU A 23 2.744 -4.449 -2.421 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.669 -3.162 -3.303 1.00 1.00 H new ATOM 0 HD12 LEU A 23 3.157 -2.228 -3.392 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.346 -1.876 -2.115 1.00 1.00 H new ATOM 0 HD21 LEU A 23 5.017 -4.825 -1.501 1.00 1.00 H new ATOM 0 HD22 LEU A 23 4.705 -3.601 -0.247 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.757 -5.107 -0.276 1.00 1.00 H new ATOM 404 N GLY A 24 1.628 -1.601 2.193 1.00 1.00 N ATOM 405 CA GLY A 24 1.496 -2.011 3.627 1.00 1.00 C ATOM 406 C GLY A 24 0.068 -1.891 4.139 1.00 1.00 C ATOM 407 O GLY A 24 -0.757 -1.198 3.579 1.00 1.00 O ATOM 0 H GLY A 24 1.071 -0.796 1.905 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.833 -3.041 3.739 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.151 -1.392 4.240 1.00 1.00 H new ATOM 411 N ILE A 25 -0.211 -2.554 5.233 1.00 1.00 N ATOM 412 CA ILE A 25 -1.569 -2.484 5.842 1.00 1.00 C ATOM 413 C ILE A 25 -1.526 -1.453 6.981 1.00 1.00 C ATOM 414 O ILE A 25 -0.552 -1.367 7.717 1.00 1.00 O ATOM 415 CB ILE A 25 -1.972 -3.862 6.396 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.931 -4.353 7.413 1.00 1.00 C ATOM 417 CG2 ILE A 25 -2.064 -4.869 5.247 1.00 1.00 C ATOM 418 CD1 ILE A 25 -1.587 -5.345 8.377 1.00 1.00 C ATOM 0 H ILE A 25 0.452 -3.146 5.733 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.303 -2.190 5.092 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.940 -3.772 6.889 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -0.098 -4.829 6.896 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.521 -3.508 7.967 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.349 -5.845 5.640 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.812 -4.534 4.529 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.096 -4.946 4.753 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -0.848 -5.694 9.099 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -2.405 -4.854 8.904 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -1.975 -6.195 7.816 1.00 1.00 H new ATOM 430 N ILE A 26 -2.560 -0.659 7.112 1.00 1.00 N ATOM 431 CA ILE A 26 -2.589 0.388 8.176 1.00 1.00 C ATOM 432 C ILE A 26 -3.405 -0.073 9.387 1.00 1.00 C ATOM 433 O ILE A 26 -4.341 -0.858 9.284 1.00 1.00 O ATOM 434 CB ILE A 26 -3.201 1.678 7.617 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.866 2.860 8.533 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.719 1.530 7.550 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.350 3.037 8.634 1.00 1.00 C ATOM 0 H ILE A 26 -3.391 -0.693 6.522 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.563 0.569 8.498 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.793 1.859 6.622 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -3.321 3.771 8.144 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -3.287 2.692 9.524 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -5.157 2.446 7.153 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.975 0.694 6.899 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -5.111 1.345 8.550 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.125 3.880 9.287 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.904 2.131 9.044 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -0.939 3.227 7.642 1.00 1.00 H new ATOM 449 N GLU A 27 -3.038 0.448 10.528 1.00 1.00 N ATOM 450 CA GLU A 27 -3.735 0.124 11.805 1.00 1.00 C ATOM 451 C GLU A 27 -3.780 1.377 12.693 1.00 1.00 C ATOM 452 O GLU A 27 -2.798 2.106 12.802 1.00 1.00 O ATOM 453 CB GLU A 27 -2.979 -0.992 12.532 1.00 1.00 C ATOM 454 CG GLU A 27 -3.589 -2.346 12.159 1.00 1.00 C ATOM 455 CD GLU A 27 -3.360 -3.347 13.295 1.00 1.00 C ATOM 456 OE1 GLU A 27 -2.339 -4.014 13.276 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.213 -3.433 14.165 1.00 1.00 O ATOM 0 H GLU A 27 -2.262 1.103 10.629 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.751 -0.208 11.591 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.924 -0.969 12.260 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.033 -0.841 13.610 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.657 -2.235 11.969 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.139 -2.717 11.238 1.00 1.00 H new ATOM 545 N ARG A 34 -2.883 10.609 12.105 1.00 1.00 N ATOM 546 CA ARG A 34 -1.705 9.791 11.677 1.00 1.00 C ATOM 547 C ARG A 34 -1.964 8.309 11.997 1.00 1.00 C ATOM 548 O ARG A 34 -2.746 7.978 12.871 1.00 1.00 O ATOM 549 CB ARG A 34 -0.448 10.276 12.412 1.00 1.00 C ATOM 550 CG ARG A 34 -0.631 10.131 13.928 1.00 1.00 C ATOM 551 CD ARG A 34 -0.208 11.429 14.620 1.00 1.00 C ATOM 552 NE ARG A 34 1.236 11.688 14.355 1.00 1.00 N ATOM 553 CZ ARG A 34 2.150 11.102 15.081 1.00 1.00 C ATOM 554 NH1 ARG A 34 2.513 11.627 16.222 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.696 9.988 14.668 1.00 1.00 N ATOM 0 HA ARG A 34 -1.554 9.902 10.603 1.00 1.00 H new ATOM 0 HB2 ARG A 34 0.418 9.699 12.086 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.250 11.318 12.160 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.672 9.906 14.159 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.034 9.298 14.299 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.810 12.261 14.255 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.384 11.355 15.693 1.00 1.00 H new ATOM 0 HE ARG A 34 1.510 12.324 13.606 1.00 1.00 H new ATOM 0 HH11 ARG A 34 2.082 12.494 16.545 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.227 11.170 16.790 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.408 9.578 13.780 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.410 9.529 15.234 1.00 1.00 H new ATOM 569 N VAL A 35 -1.319 7.421 11.282 1.00 1.00 N ATOM 570 CA VAL A 35 -1.513 5.951 11.508 1.00 1.00 C ATOM 571 C VAL A 35 -0.190 5.214 11.372 1.00 1.00 C ATOM 572 O VAL A 35 0.806 5.763 10.930 1.00 1.00 O ATOM 573 CB VAL A 35 -2.503 5.356 10.520 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.913 5.790 10.884 1.00 1.00 C ATOM 575 CG2 VAL A 35 -2.151 5.821 9.118 1.00 1.00 C ATOM 0 H VAL A 35 -0.657 7.653 10.541 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.908 5.833 12.517 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.453 4.268 10.557 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.620 5.362 10.174 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -4.153 5.443 11.889 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.979 6.877 10.851 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.858 5.397 8.406 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -2.199 6.909 9.073 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -1.143 5.492 8.868 1.00 1.00 H new ATOM 585 N ARG A 36 -0.179 3.968 11.748 1.00 1.00 N ATOM 586 CA ARG A 36 1.091 3.157 11.646 1.00 1.00 C ATOM 587 C ARG A 36 0.941 2.043 10.605 1.00 1.00 C ATOM 588 O ARG A 36 -0.005 1.274 10.639 1.00 1.00 O ATOM 589 CB ARG A 36 1.447 2.536 13.001 1.00 1.00 C ATOM 590 CG ARG A 36 0.182 2.046 13.716 1.00 1.00 C ATOM 591 CD ARG A 36 0.482 0.743 14.462 1.00 1.00 C ATOM 592 NE ARG A 36 1.183 1.051 15.742 1.00 1.00 N ATOM 593 CZ ARG A 36 2.296 0.435 16.045 1.00 1.00 C ATOM 594 NH1 ARG A 36 3.436 0.884 15.587 1.00 1.00 N ATOM 595 NH2 ARG A 36 2.268 -0.629 16.805 1.00 1.00 N ATOM 0 H ARG A 36 -0.985 3.466 12.122 1.00 1.00 H new ATOM 0 HA ARG A 36 1.891 3.831 11.338 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.136 1.704 12.857 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.961 3.271 13.621 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.169 2.804 14.416 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.617 1.886 12.992 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.445 0.205 14.663 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.101 0.092 13.844 1.00 1.00 H new ATOM 0 HE ARG A 36 0.794 1.743 16.382 1.00 1.00 H new ATOM 0 HH11 ARG A 36 3.456 1.714 14.994 1.00 1.00 H new ATOM 0 HH12 ARG A 36 4.305 0.404 15.823 1.00 1.00 H new ATOM 0 HH21 ARG A 36 1.378 -0.978 17.161 1.00 1.00 H new ATOM 0 HH22 ARG A 36 3.136 -1.110 17.042 1.00 1.00 H new ATOM 609 N VAL A 37 1.869 1.958 9.671 1.00 1.00 N ATOM 610 CA VAL A 37 1.785 0.912 8.620 1.00 1.00 C ATOM 611 C VAL A 37 3.003 -0.010 8.620 1.00 1.00 C ATOM 612 O VAL A 37 4.131 0.387 8.867 1.00 1.00 O ATOM 613 CB VAL A 37 1.688 1.542 7.224 1.00 1.00 C ATOM 614 CG1 VAL A 37 0.256 1.446 6.754 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.118 3.011 7.239 1.00 1.00 C ATOM 0 H VAL A 37 2.678 2.575 9.601 1.00 1.00 H new ATOM 0 HA VAL A 37 0.890 0.333 8.849 1.00 1.00 H new ATOM 0 HB VAL A 37 2.356 1.005 6.551 1.00 1.00 H new ATOM 0 HG11 VAL A 37 0.168 1.889 5.762 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -0.043 0.399 6.711 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -0.392 1.980 7.449 1.00 1.00 H new ATOM 0 HG21 VAL A 37 2.036 3.424 6.234 1.00 1.00 H new ATOM 0 HG22 VAL A 37 1.473 3.572 7.915 1.00 1.00 H new ATOM 0 HG23 VAL A 37 3.151 3.084 7.579 1.00 1.00 H new ATOM 625 N ARG A 38 2.748 -1.228 8.244 1.00 1.00 N ATOM 626 CA ARG A 38 3.820 -2.262 8.088 1.00 1.00 C ATOM 627 C ARG A 38 3.724 -2.683 6.629 1.00 1.00 C ATOM 628 O ARG A 38 2.627 -2.826 6.113 1.00 1.00 O ATOM 629 CB ARG A 38 3.581 -3.470 9.005 1.00 1.00 C ATOM 630 CG ARG A 38 2.078 -3.699 9.221 1.00 1.00 C ATOM 631 CD ARG A 38 1.619 -2.970 10.487 1.00 1.00 C ATOM 632 NE ARG A 38 2.112 -3.701 11.689 1.00 1.00 N ATOM 633 CZ ARG A 38 1.338 -4.563 12.295 1.00 1.00 C ATOM 634 NH1 ARG A 38 1.346 -5.819 11.928 1.00 1.00 N ATOM 635 NH2 ARG A 38 0.559 -4.169 13.267 1.00 1.00 N ATOM 0 H ARG A 38 1.810 -1.567 8.030 1.00 1.00 H new ATOM 0 HA ARG A 38 4.801 -1.871 8.358 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.030 -4.361 8.566 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.071 -3.307 9.965 1.00 1.00 H new ATOM 0 HG2 ARG A 38 1.518 -3.337 8.359 1.00 1.00 H new ATOM 0 HG3 ARG A 38 1.872 -4.766 9.310 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.999 -1.948 10.489 1.00 1.00 H new ATOM 0 HD3 ARG A 38 0.531 -2.906 10.508 1.00 1.00 H new ATOM 0 HE ARG A 38 3.054 -3.528 12.039 1.00 1.00 H new ATOM 0 HH11 ARG A 38 1.956 -6.125 11.170 1.00 1.00 H new ATOM 0 HH12 ARG A 38 0.742 -6.492 12.400 1.00 1.00 H new ATOM 0 HH21 ARG A 38 0.555 -3.190 13.552 1.00 1.00 H new ATOM 0 HH22 ARG A 38 -0.045 -4.841 13.740 1.00 1.00 H new ATOM 649 N CYS A 39 4.815 -2.805 5.921 1.00 1.00 N ATOM 650 CA CYS A 39 4.666 -3.112 4.473 1.00 1.00 C ATOM 651 C CYS A 39 5.684 -4.110 3.931 1.00 1.00 C ATOM 652 O CYS A 39 6.774 -4.294 4.450 1.00 1.00 O ATOM 653 CB CYS A 39 4.835 -1.802 3.694 1.00 1.00 C ATOM 654 SG CYS A 39 4.277 -0.399 4.695 1.00 1.00 S ATOM 0 H CYS A 39 5.769 -2.709 6.268 1.00 1.00 H new ATOM 0 HA CYS A 39 3.683 -3.567 4.350 1.00 1.00 H new ATOM 0 HB2 CYS A 39 5.881 -1.667 3.418 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.264 -1.846 2.767 1.00 1.00 H new ATOM 0 HG CYS A 39 5.108 -0.209 5.677 1.00 1.00 H new ATOM 660 N LEU A 40 5.322 -4.678 2.809 1.00 1.00 N ATOM 661 CA LEU A 40 6.183 -5.597 2.077 1.00 1.00 C ATOM 662 C LEU A 40 6.927 -4.747 1.054 1.00 1.00 C ATOM 663 O LEU A 40 6.778 -3.510 1.014 1.00 1.00 O ATOM 664 CB LEU A 40 5.329 -6.640 1.372 1.00 1.00 C ATOM 665 CG LEU A 40 5.997 -8.013 1.425 1.00 1.00 C ATOM 666 CD1 LEU A 40 6.446 -8.333 2.855 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.983 -9.054 0.967 1.00 1.00 C ATOM 0 H LEU A 40 4.416 -4.520 2.367 1.00 1.00 H new ATOM 0 HA LEU A 40 6.875 -6.121 2.736 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.347 -6.690 1.841 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.172 -6.347 0.334 1.00 1.00 H new ATOM 0 HG LEU A 40 6.874 -8.020 0.778 1.00 1.00 H new ATOM 0 HD11 LEU A 40 6.920 -9.314 2.877 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.158 -7.579 3.190 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.580 -8.334 3.517 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.439 -10.044 0.997 1.00 1.00 H new ATOM 0 HD22 LEU A 40 4.117 -9.033 1.628 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.667 -8.831 -0.052 1.00 1.00 H new ATOM 679 N ASP A 41 7.770 -5.384 0.290 1.00 1.00 N ATOM 680 CA ASP A 41 8.669 -4.652 -0.629 1.00 1.00 C ATOM 681 C ASP A 41 9.757 -4.057 0.303 1.00 1.00 C ATOM 682 O ASP A 41 10.462 -3.124 -0.033 1.00 1.00 O ATOM 683 CB ASP A 41 7.908 -3.540 -1.377 1.00 1.00 C ATOM 684 CG ASP A 41 8.690 -3.114 -2.624 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.685 -3.861 -3.590 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.279 -2.045 -2.593 1.00 1.00 O ATOM 0 H ASP A 41 7.871 -6.399 0.267 1.00 1.00 H new ATOM 0 HA ASP A 41 9.090 -5.294 -1.403 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.918 -3.895 -1.663 1.00 1.00 H new ATOM 0 HB3 ASP A 41 7.762 -2.683 -0.720 1.00 1.00 H new ATOM 691 N GLY A 42 9.908 -4.691 1.477 1.00 1.00 N ATOM 692 CA GLY A 42 10.951 -4.315 2.487 1.00 1.00 C ATOM 693 C GLY A 42 10.736 -2.935 3.120 1.00 1.00 C ATOM 694 O GLY A 42 11.640 -2.119 3.083 1.00 1.00 O ATOM 0 H GLY A 42 9.323 -5.475 1.766 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.966 -5.067 3.276 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.930 -4.335 2.008 1.00 1.00 H new ATOM 698 N LYS A 43 9.594 -2.645 3.729 1.00 1.00 N ATOM 699 CA LYS A 43 9.466 -1.293 4.361 1.00 1.00 C ATOM 700 C LYS A 43 8.625 -1.297 5.639 1.00 1.00 C ATOM 701 O LYS A 43 7.717 -2.087 5.820 1.00 1.00 O ATOM 702 CB LYS A 43 8.856 -0.304 3.378 1.00 1.00 C ATOM 703 CG LYS A 43 9.964 0.563 2.771 1.00 1.00 C ATOM 704 CD LYS A 43 10.765 1.267 3.874 1.00 1.00 C ATOM 705 CE LYS A 43 12.265 1.098 3.614 1.00 1.00 C ATOM 706 NZ LYS A 43 12.829 0.100 4.567 1.00 1.00 N ATOM 0 H LYS A 43 8.785 -3.260 3.810 1.00 1.00 H new ATOM 0 HA LYS A 43 10.478 -0.994 4.633 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.325 -0.839 2.590 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.124 0.325 3.885 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.630 -0.056 2.170 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.527 1.304 2.102 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.509 2.326 3.903 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.506 0.850 4.847 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.432 0.770 2.588 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.774 2.055 3.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.863 0.203 4.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.429 0.260 5.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.589 -0.860 4.247 1.00 1.00 H new ATOM 720 N THR A 44 8.900 -0.334 6.477 1.00 1.00 N ATOM 721 CA THR A 44 8.120 -0.118 7.740 1.00 1.00 C ATOM 722 C THR A 44 8.011 1.398 7.884 1.00 1.00 C ATOM 723 O THR A 44 9.018 2.098 7.935 1.00 1.00 O ATOM 724 CB THR A 44 8.820 -0.720 8.966 1.00 1.00 C ATOM 725 OG1 THR A 44 9.810 -1.659 8.562 1.00 1.00 O ATOM 726 CG2 THR A 44 7.771 -1.415 9.835 1.00 1.00 C ATOM 0 H THR A 44 9.657 0.335 6.337 1.00 1.00 H new ATOM 0 HA THR A 44 7.148 -0.609 7.685 1.00 1.00 H new ATOM 0 HB THR A 44 9.310 0.073 9.531 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.249 -2.033 9.354 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.253 -1.848 10.711 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.024 -0.689 10.154 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.287 -2.204 9.260 1.00 1.00 H new ATOM 734 N ARG A 45 6.816 1.929 7.862 1.00 1.00 N ATOM 735 CA ARG A 45 6.690 3.413 7.900 1.00 1.00 C ATOM 736 C ARG A 45 5.450 3.892 8.641 1.00 1.00 C ATOM 737 O ARG A 45 4.497 3.162 8.841 1.00 1.00 O ATOM 738 CB ARG A 45 6.635 3.935 6.460 1.00 1.00 C ATOM 739 CG ARG A 45 5.762 3.014 5.591 1.00 1.00 C ATOM 740 CD ARG A 45 6.642 1.995 4.855 1.00 1.00 C ATOM 741 NE ARG A 45 7.823 2.683 4.258 1.00 1.00 N ATOM 742 CZ ARG A 45 7.654 3.578 3.324 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.516 3.205 2.079 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.633 4.846 3.637 1.00 1.00 N ATOM 0 H ARG A 45 5.939 1.410 7.820 1.00 1.00 H new ATOM 0 HA ARG A 45 7.555 3.798 8.440 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.231 4.947 6.448 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.642 3.989 6.047 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.034 2.495 6.215 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.199 3.607 4.871 1.00 1.00 H new ATOM 0 HD2 ARG A 45 6.973 1.220 5.547 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.065 1.500 4.074 1.00 1.00 H new ATOM 0 HE ARG A 45 8.763 2.454 4.580 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.540 2.214 1.838 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.384 3.905 1.349 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.749 5.133 4.609 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.501 5.549 2.910 1.00 1.00 H new ATOM 758 N LEU A 46 5.445 5.158 8.971 1.00 1.00 N ATOM 759 CA LEU A 46 4.246 5.773 9.610 1.00 1.00 C ATOM 760 C LEU A 46 3.492 6.450 8.458 1.00 1.00 C ATOM 761 O LEU A 46 4.074 7.204 7.696 1.00 1.00 O ATOM 762 CB LEU A 46 4.660 6.807 10.672 1.00 1.00 C ATOM 763 CG LEU A 46 5.665 7.808 10.085 1.00 1.00 C ATOM 764 CD1 LEU A 46 5.222 9.234 10.419 1.00 1.00 C ATOM 765 CD2 LEU A 46 7.051 7.553 10.685 1.00 1.00 C ATOM 0 H LEU A 46 6.227 5.796 8.823 1.00 1.00 H new ATOM 0 HA LEU A 46 3.633 5.034 10.126 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.779 7.337 11.035 1.00 1.00 H new ATOM 0 HB3 LEU A 46 5.102 6.299 11.529 1.00 1.00 H new ATOM 0 HG LEU A 46 5.708 7.684 9.003 1.00 1.00 H new ATOM 0 HD11 LEU A 46 5.936 9.944 10.002 1.00 1.00 H new ATOM 0 HD12 LEU A 46 4.236 9.418 9.992 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.178 9.357 11.501 1.00 1.00 H new ATOM 0 HD21 LEU A 46 7.764 8.264 10.268 1.00 1.00 H new ATOM 0 HD22 LEU A 46 7.007 7.675 11.767 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.369 6.538 10.447 1.00 1.00 H new ATOM 777 N GLY A 47 2.238 6.140 8.264 1.00 1.00 N ATOM 778 CA GLY A 47 1.503 6.713 7.095 1.00 1.00 C ATOM 779 C GLY A 47 0.708 7.958 7.470 1.00 1.00 C ATOM 780 O GLY A 47 0.134 8.056 8.541 1.00 1.00 O ATOM 0 H GLY A 47 1.692 5.518 8.860 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.214 6.961 6.307 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.827 5.961 6.689 1.00 1.00 H new ATOM 784 N ARG A 48 0.675 8.908 6.562 1.00 1.00 N ATOM 785 CA ARG A 48 -0.074 10.173 6.796 1.00 1.00 C ATOM 786 C ARG A 48 -1.137 10.356 5.706 1.00 1.00 C ATOM 787 O ARG A 48 -0.971 9.920 4.578 1.00 1.00 O ATOM 788 CB ARG A 48 0.895 11.364 6.783 1.00 1.00 C ATOM 789 CG ARG A 48 1.613 11.445 5.430 1.00 1.00 C ATOM 790 CD ARG A 48 2.362 12.776 5.324 1.00 1.00 C ATOM 791 NE ARG A 48 1.389 13.908 5.357 1.00 1.00 N ATOM 792 CZ ARG A 48 0.660 14.178 4.306 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.118 14.983 3.382 1.00 1.00 N ATOM 794 NH2 ARG A 48 -0.528 13.644 4.180 1.00 1.00 N ATOM 0 H ARG A 48 1.144 8.853 5.658 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.563 10.123 7.769 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.349 12.289 6.970 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.625 11.257 7.585 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.311 10.614 5.327 1.00 1.00 H new ATOM 0 HG3 ARG A 48 0.891 11.357 4.618 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.072 12.871 6.146 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.938 12.807 4.399 1.00 1.00 H new ATOM 0 HE ARG A 48 1.293 14.472 6.201 1.00 1.00 H new ATOM 0 HH11 ARG A 48 2.044 15.400 3.482 1.00 1.00 H new ATOM 0 HH12 ARG A 48 0.549 15.194 2.562 1.00 1.00 H new ATOM 0 HH21 ARG A 48 -0.885 13.018 4.902 1.00 1.00 H new ATOM 0 HH22 ARG A 48 -1.097 13.854 3.360 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.956 -2.457 7.887 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.308 -1.940 6.521 1.00 1.00 C ATOM 1058 C ASP A 63 -6.069 -2.038 5.623 1.00 1.00 C ATOM 1059 O ASP A 63 -4.956 -2.122 6.118 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.754 -0.477 6.623 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.185 -0.405 7.169 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.107 -0.530 6.379 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.333 -0.221 8.367 1.00 1.00 O ATOM 0 HA ASP A 63 -8.121 -2.531 6.099 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.078 0.074 7.277 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.705 -0.004 5.642 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.225 -2.015 4.318 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.013 -2.096 3.431 1.00 1.00 C ATOM 1070 C VAL A 64 -4.734 -0.720 2.831 1.00 1.00 C ATOM 1071 O VAL A 64 -5.646 0.024 2.513 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.196 -3.123 2.307 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.986 -4.058 2.303 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.466 -3.945 2.529 1.00 1.00 C ATOM 0 H VAL A 64 -7.120 -1.945 3.834 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.169 -2.420 4.040 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.283 -2.601 1.354 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.099 -4.796 1.509 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.079 -3.478 2.133 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.916 -4.567 3.264 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.578 -4.668 1.721 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.396 -4.472 3.480 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.331 -3.282 2.544 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.476 -0.369 2.691 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.137 0.977 2.133 1.00 1.00 C ATOM 1086 C VAL A 65 -1.900 0.913 1.226 1.00 1.00 C ATOM 1087 O VAL A 65 -1.032 0.069 1.382 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.857 1.956 3.289 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.097 2.086 4.177 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.688 1.445 4.136 1.00 1.00 C ATOM 0 H VAL A 65 -2.676 -0.952 2.937 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.985 1.318 1.539 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.606 2.929 2.868 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.890 2.780 4.992 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.931 2.461 3.584 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.354 1.110 4.588 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.497 2.143 4.951 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.937 0.467 4.547 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.797 1.361 3.514 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.796 1.848 0.314 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.592 1.913 -0.576 1.00 1.00 C ATOM 1102 C ILE A 66 0.317 2.998 0.014 1.00 1.00 C ATOM 1103 O ILE A 66 -0.163 4.042 0.418 1.00 1.00 O ATOM 1104 CB ILE A 66 -1.019 2.255 -2.016 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.207 2.211 -2.947 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.678 3.640 -2.068 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.976 3.537 -2.896 1.00 1.00 C ATOM 0 H ILE A 66 -2.495 2.572 0.146 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.067 0.959 -0.623 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.748 1.517 -2.351 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.864 1.393 -2.652 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -0.114 2.010 -3.969 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.973 3.864 -3.093 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -2.559 3.648 -1.427 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.970 4.393 -1.721 1.00 1.00 H new ATOM 0 HD11 ILE A 66 1.838 3.484 -3.561 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.322 4.349 -3.214 1.00 1.00 H new ATOM 0 HD13 ILE A 66 1.315 3.722 -1.877 1.00 1.00 H new ATOM 1119 N VAL A 67 1.606 2.758 0.135 1.00 1.00 N ATOM 1120 CA VAL A 67 2.469 3.797 0.784 1.00 1.00 C ATOM 1121 C VAL A 67 3.577 4.345 -0.133 1.00 1.00 C ATOM 1122 O VAL A 67 4.089 3.686 -1.029 1.00 1.00 O ATOM 1123 CB VAL A 67 3.109 3.224 2.062 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.152 2.234 2.733 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.420 2.510 1.719 1.00 1.00 C ATOM 0 H VAL A 67 2.084 1.913 -0.178 1.00 1.00 H new ATOM 0 HA VAL A 67 1.810 4.633 1.018 1.00 1.00 H new ATOM 0 HB VAL A 67 3.314 4.047 2.747 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.615 1.835 3.636 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.226 2.745 2.996 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.933 1.417 2.046 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.865 2.108 2.630 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.219 1.695 1.023 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.110 3.218 1.260 1.00 1.00 H new ATOM 1135 N LYS A 68 3.957 5.562 0.172 1.00 1.00 N ATOM 1136 CA LYS A 68 5.047 6.290 -0.538 1.00 1.00 C ATOM 1137 C LYS A 68 6.235 6.352 0.427 1.00 1.00 C ATOM 1138 O LYS A 68 6.008 6.424 1.620 1.00 1.00 O ATOM 1139 CB LYS A 68 4.565 7.710 -0.870 1.00 1.00 C ATOM 1140 CG LYS A 68 5.054 8.118 -2.261 1.00 1.00 C ATOM 1141 CD LYS A 68 4.400 9.444 -2.663 1.00 1.00 C ATOM 1142 CE LYS A 68 5.403 10.588 -2.487 1.00 1.00 C ATOM 1143 NZ LYS A 68 6.349 10.612 -3.641 1.00 1.00 N ATOM 0 H LYS A 68 3.530 6.103 0.924 1.00 1.00 H new ATOM 0 HA LYS A 68 5.328 5.793 -1.466 1.00 1.00 H new ATOM 0 HB2 LYS A 68 3.476 7.751 -0.832 1.00 1.00 H new ATOM 0 HB3 LYS A 68 4.937 8.413 -0.124 1.00 1.00 H new ATOM 0 HG2 LYS A 68 6.139 8.221 -2.261 1.00 1.00 H new ATOM 0 HG3 LYS A 68 4.807 7.343 -2.987 1.00 1.00 H new ATOM 0 HD2 LYS A 68 4.066 9.396 -3.699 1.00 1.00 H new ATOM 0 HD3 LYS A 68 3.516 9.625 -2.051 1.00 1.00 H new ATOM 0 HE2 LYS A 68 4.875 11.539 -2.418 1.00 1.00 H new ATOM 0 HE3 LYS A 68 5.954 10.461 -1.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 7.028 11.390 -3.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 6.862 9.709 -3.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 5.817 10.754 -4.523 1.00 1.00 H new ATOM 1157 N PRO A 69 7.448 6.312 -0.090 1.00 1.00 N ATOM 1158 CA PRO A 69 8.668 6.320 0.751 1.00 1.00 C ATOM 1159 C PRO A 69 9.163 7.737 1.074 1.00 1.00 C ATOM 1160 O PRO A 69 9.166 8.627 0.241 1.00 1.00 O ATOM 1161 CB PRO A 69 9.694 5.633 -0.140 1.00 1.00 C ATOM 1162 CG PRO A 69 9.206 5.812 -1.603 1.00 1.00 C ATOM 1163 CD PRO A 69 7.719 6.210 -1.536 1.00 1.00 C ATOM 0 HA PRO A 69 8.491 5.843 1.715 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.681 6.075 -0.005 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.780 4.576 0.113 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.788 6.580 -2.113 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.333 4.888 -2.168 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.535 7.156 -2.045 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.083 5.463 -2.011 1.00 1.00 H new ATOM 1171 N TRP A 70 9.565 7.930 2.315 1.00 1.00 N ATOM 1172 CA TRP A 70 10.056 9.259 2.794 1.00 1.00 C ATOM 1173 C TRP A 70 11.473 9.080 3.338 1.00 1.00 C ATOM 1174 O TRP A 70 11.641 8.373 4.335 1.00 1.00 O ATOM 1175 CB TRP A 70 9.248 9.764 3.984 1.00 1.00 C ATOM 1176 CG TRP A 70 7.974 10.217 3.522 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.241 9.549 2.648 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.245 11.402 3.889 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.113 10.222 2.442 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.050 11.381 3.179 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.497 12.481 4.756 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.119 12.378 3.305 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.551 13.508 4.890 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.357 13.455 4.162 1.00 1.00 C ATOM 0 H TRP A 70 9.571 7.201 3.028 1.00 1.00 H new ATOM 0 HA TRP A 70 9.985 9.952 1.956 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.121 8.968 4.718 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.778 10.576 4.482 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.513 8.614 2.180 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.376 9.913 1.808 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.418 12.519 5.318 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.199 12.331 2.741 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.744 14.338 5.554 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.624 14.242 4.262 1.00 1.00 H new ATOM 1262 N GLN A 76 11.050 4.771 7.919 1.00 1.00 N ATOM 1263 CA GLN A 76 10.650 5.673 6.797 1.00 1.00 C ATOM 1264 C GLN A 76 9.286 6.314 7.044 1.00 1.00 C ATOM 1265 O GLN A 76 8.422 5.762 7.711 1.00 1.00 O ATOM 1266 CB GLN A 76 10.587 4.870 5.493 1.00 1.00 C ATOM 1267 CG GLN A 76 11.996 4.415 5.091 1.00 1.00 C ATOM 1268 CD GLN A 76 12.156 4.456 3.562 1.00 1.00 C ATOM 1269 OE1 GLN A 76 11.111 4.327 2.786 1.00 1.00 O flip ATOM 1270 NE2 GLN A 76 13.255 4.596 3.065 1.00 1.00 N flip ATOM 0 HA GLN A 76 11.396 6.465 6.728 1.00 1.00 H new ATOM 0 HB2 GLN A 76 9.938 4.003 5.620 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.153 5.480 4.701 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.740 5.059 5.558 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.176 3.404 5.455 1.00 1.00 H new ATOM 0 HE21 GLN A 76 14.076 4.697 3.662 1.00 1.00 H new ATOM 0 HE22 GLN A 76 13.358 4.612 2.050 1.00 1.00 H new ATOM 1279 N LYS A 77 9.074 7.460 6.447 1.00 1.00 N ATOM 1280 CA LYS A 77 7.740 8.133 6.565 1.00 1.00 C ATOM 1281 C LYS A 77 6.991 7.774 5.300 1.00 1.00 C ATOM 1282 O LYS A 77 7.607 7.480 4.300 1.00 1.00 O ATOM 1283 CB LYS A 77 7.907 9.652 6.690 1.00 1.00 C ATOM 1284 CG LYS A 77 7.628 10.076 8.134 1.00 1.00 C ATOM 1285 CD LYS A 77 8.188 11.479 8.380 1.00 1.00 C ATOM 1286 CE LYS A 77 8.403 11.690 9.882 1.00 1.00 C ATOM 1287 NZ LYS A 77 7.244 12.430 10.460 1.00 1.00 N ATOM 0 H LYS A 77 9.763 7.959 5.884 1.00 1.00 H new ATOM 0 HA LYS A 77 7.201 7.808 7.455 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.917 9.943 6.403 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.223 10.161 6.011 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.555 10.064 8.325 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.083 9.367 8.825 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.130 11.604 7.846 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.500 12.230 7.992 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.517 10.728 10.381 1.00 1.00 H new ATOM 0 HE3 LYS A 77 9.324 12.248 10.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.215 12.281 11.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.346 13.445 10.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.362 12.080 10.035 1.00 1.00 H new ATOM 1301 N CYS A 78 5.702 7.724 5.301 1.00 1.00 N ATOM 1302 CA CYS A 78 5.027 7.326 4.039 1.00 1.00 C ATOM 1303 C CYS A 78 3.727 8.082 3.836 1.00 1.00 C ATOM 1304 O CYS A 78 3.039 8.432 4.779 1.00 1.00 O ATOM 1305 CB CYS A 78 4.752 5.818 4.050 1.00 1.00 C ATOM 1306 SG CYS A 78 3.437 5.429 5.226 1.00 1.00 S ATOM 0 H CYS A 78 5.094 7.933 6.093 1.00 1.00 H new ATOM 0 HA CYS A 78 5.692 7.575 3.212 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.466 5.486 3.052 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.660 5.278 4.318 1.00 1.00 H new ATOM 0 HG CYS A 78 3.954 4.905 6.297 1.00 1.00 H new ATOM 1312 N ASP A 79 3.356 8.266 2.599 1.00 1.00 N ATOM 1313 CA ASP A 79 2.045 8.927 2.312 1.00 1.00 C ATOM 1314 C ASP A 79 1.110 7.782 1.951 1.00 1.00 C ATOM 1315 O ASP A 79 1.395 7.022 1.039 1.00 1.00 O ATOM 1316 CB ASP A 79 2.176 9.911 1.144 1.00 1.00 C ATOM 1317 CG ASP A 79 1.248 11.107 1.380 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.085 11.009 1.023 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.716 12.099 1.916 1.00 1.00 O ATOM 0 H ASP A 79 3.896 7.991 1.779 1.00 1.00 H new ATOM 0 HA ASP A 79 1.680 9.507 3.160 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.208 10.250 1.053 1.00 1.00 H new ATOM 0 HB3 ASP A 79 1.919 9.417 0.207 1.00 1.00 H new ATOM 1324 N ILE A 80 0.061 7.575 2.695 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.790 6.378 2.408 1.00 1.00 C ATOM 1326 C ILE A 80 -2.186 6.701 1.904 1.00 1.00 C ATOM 1327 O ILE A 80 -2.774 7.727 2.196 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.929 5.528 3.673 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.159 6.430 4.894 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.342 4.706 3.867 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.009 5.688 5.926 1.00 1.00 C ATOM 0 H ILE A 80 -0.243 8.163 3.471 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.276 5.845 1.608 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.784 4.860 3.567 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.203 6.716 5.333 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.658 7.350 4.590 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.248 4.098 4.767 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.490 4.056 3.004 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.196 5.375 3.968 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.172 6.329 6.792 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.970 5.424 5.484 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -1.492 4.781 6.238 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.719 5.744 1.190 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.104 5.823 0.662 1.00 1.00 C ATOM 1345 C ILE A 81 -4.865 4.677 1.342 1.00 1.00 C ATOM 1346 O ILE A 81 -4.394 3.549 1.365 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.083 5.666 -0.872 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -4.414 7.013 -1.522 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -5.107 4.622 -1.328 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -3.156 7.885 -1.566 1.00 1.00 C ATOM 0 H ILE A 81 -2.229 4.883 0.946 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.582 6.780 0.870 1.00 1.00 H new ATOM 0 HB ILE A 81 -3.089 5.335 -1.174 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -4.796 6.857 -2.531 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -5.199 7.517 -0.958 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -5.073 4.529 -2.414 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -4.872 3.659 -0.874 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -6.105 4.934 -1.021 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -3.393 8.843 -2.029 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -2.793 8.052 -0.552 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -2.385 7.382 -2.149 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.998 4.961 1.938 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.747 3.897 2.676 1.00 1.00 C ATOM 1364 C TRP A 82 -7.860 3.292 1.811 1.00 1.00 C ATOM 1365 O TRP A 82 -8.534 3.974 1.058 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.332 4.513 3.962 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.627 3.854 4.335 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.745 2.734 5.085 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.983 4.258 3.985 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.088 2.428 5.220 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.890 3.337 4.559 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.507 5.324 3.233 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.269 3.469 4.394 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.894 5.460 3.064 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.773 4.535 3.643 1.00 1.00 C ATOM 0 H TRP A 82 -6.435 5.882 1.945 1.00 1.00 H new ATOM 0 HA TRP A 82 -6.063 3.086 2.928 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.617 4.406 4.778 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.492 5.581 3.817 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.926 2.171 5.509 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.442 1.628 5.744 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.838 6.043 2.783 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.942 2.753 4.843 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -12.286 6.283 2.484 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.839 4.646 3.509 1.00 1.00 H new ATOM 1386 N ARG A 83 -8.046 1.998 1.945 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.102 1.274 1.179 1.00 1.00 C ATOM 1388 C ARG A 83 -9.272 -0.132 1.776 1.00 1.00 C ATOM 1389 O ARG A 83 -8.311 -0.762 2.197 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.693 1.165 -0.294 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.759 1.833 -1.167 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.855 0.820 -1.506 1.00 1.00 C ATOM 1393 NE ARG A 83 -12.181 1.368 -1.104 1.00 1.00 N ATOM 1394 CZ ARG A 83 -13.017 1.787 -2.016 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -13.715 0.925 -2.709 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -13.152 3.069 -2.237 1.00 1.00 N ATOM 0 H ARG A 83 -7.496 1.405 2.567 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.043 1.820 1.244 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.726 1.643 -0.451 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.580 0.118 -0.575 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.189 2.687 -0.644 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -9.307 2.214 -2.082 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -10.848 0.604 -2.574 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.667 -0.121 -0.990 1.00 1.00 H new ATOM 0 HE ARG A 83 -12.436 1.416 -0.117 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -13.607 -0.075 -2.537 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -14.368 1.252 -3.421 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -12.605 3.740 -1.698 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.804 3.398 -2.949 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.459 -2.631 -4.056 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.701 -3.351 -2.984 1.00 1.00 C ATOM 1500 C VAL A 89 -3.781 -4.864 -3.238 1.00 1.00 C ATOM 1501 O VAL A 89 -2.844 -5.591 -2.974 1.00 1.00 O ATOM 1502 CB VAL A 89 -4.275 -3.025 -1.599 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.439 -3.732 -0.530 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -4.219 -1.513 -1.351 1.00 1.00 C ATOM 0 HA VAL A 89 -2.661 -3.026 -3.008 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.311 -3.362 -1.553 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.842 -3.504 0.457 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.472 -4.809 -0.696 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.407 -3.387 -0.589 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.628 -1.291 -0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.184 -1.175 -1.399 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -4.805 -0.998 -2.112 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.890 -5.340 -3.759 1.00 1.00 N ATOM 1515 CA GLU A 90 -5.023 -6.802 -4.048 1.00 1.00 C ATOM 1516 C GLU A 90 -3.964 -7.208 -5.084 1.00 1.00 C ATOM 1517 O GLU A 90 -3.419 -8.296 -5.032 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.421 -7.090 -4.604 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.799 -8.545 -4.315 1.00 1.00 C ATOM 1520 CD GLU A 90 -8.119 -8.883 -5.016 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -9.160 -8.655 -4.420 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -8.066 -9.364 -6.137 1.00 1.00 O ATOM 0 H GLU A 90 -5.707 -4.777 -3.996 1.00 1.00 H new ATOM 0 HA GLU A 90 -4.877 -7.372 -3.131 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -7.149 -6.418 -4.151 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -6.442 -6.905 -5.678 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -6.010 -9.212 -4.662 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -6.897 -8.699 -3.240 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.668 -6.329 -6.018 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.643 -6.629 -7.066 1.00 1.00 C ATOM 1531 C TRP A 91 -1.263 -6.769 -6.411 1.00 1.00 C ATOM 1532 O TRP A 91 -0.591 -7.772 -6.578 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.605 -5.479 -8.079 1.00 1.00 C ATOM 1534 CG TRP A 91 -2.862 -6.001 -9.456 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -3.987 -6.641 -9.849 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -1.999 -5.933 -10.628 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -3.870 -6.971 -11.186 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -2.662 -6.556 -11.711 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -0.718 -5.397 -10.854 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.075 -6.644 -12.974 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -0.125 -5.484 -12.124 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -0.803 -6.106 -13.182 1.00 1.00 C ATOM 0 H TRP A 91 -4.100 -5.408 -6.096 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.902 -7.559 -7.571 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -3.353 -4.730 -7.820 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -1.634 -4.985 -8.044 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.838 -6.859 -9.221 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -4.588 -7.461 -11.720 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.187 -4.916 -10.046 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -2.601 -7.125 -13.785 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 0.859 -5.069 -12.287 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -0.342 -6.169 -14.157 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.838 -5.765 -5.675 1.00 1.00 N ATOM 1554 CA LEU A 92 0.504 -5.821 -5.009 1.00 1.00 C ATOM 1555 C LEU A 92 0.555 -6.988 -4.008 1.00 1.00 C ATOM 1556 O LEU A 92 1.568 -7.655 -3.886 1.00 1.00 O ATOM 1557 CB LEU A 92 0.804 -4.492 -4.288 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.379 -4.062 -3.408 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.188 -4.588 -1.982 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.459 -2.531 -3.375 1.00 1.00 C ATOM 0 H LEU A 92 -1.365 -4.908 -5.508 1.00 1.00 H new ATOM 0 HA LEU A 92 1.262 -5.981 -5.775 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.698 -4.602 -3.674 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.016 -3.715 -5.023 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.300 -4.472 -3.823 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.031 -4.279 -1.364 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.131 -5.676 -2.000 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.735 -4.184 -1.566 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.298 -2.224 -2.751 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.466 -2.127 -2.964 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.602 -2.152 -4.387 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.526 -7.246 -3.301 1.00 1.00 N ATOM 1573 CA LYS A 93 -0.537 -8.378 -2.319 1.00 1.00 C ATOM 1574 C LYS A 93 -0.391 -9.706 -3.076 1.00 1.00 C ATOM 1575 O LYS A 93 0.389 -10.564 -2.691 1.00 1.00 O ATOM 1576 CB LYS A 93 -1.852 -8.365 -1.527 1.00 1.00 C ATOM 1577 CG LYS A 93 -1.553 -8.400 -0.022 1.00 1.00 C ATOM 1578 CD LYS A 93 -0.693 -7.194 0.372 1.00 1.00 C ATOM 1579 CE LYS A 93 -1.409 -6.375 1.449 1.00 1.00 C ATOM 1580 NZ LYS A 93 -0.708 -5.071 1.632 1.00 1.00 N ATOM 0 H LYS A 93 -1.398 -6.721 -3.364 1.00 1.00 H new ATOM 0 HA LYS A 93 0.294 -8.267 -1.622 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -2.426 -7.471 -1.772 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.463 -9.223 -1.806 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.486 -8.391 0.542 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.035 -9.325 0.232 1.00 1.00 H new ATOM 0 HD2 LYS A 93 0.275 -7.532 0.743 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -0.500 -6.572 -0.502 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -2.447 -6.205 1.161 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -1.425 -6.926 2.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -1.120 -4.566 2.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 0.303 -5.242 1.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -0.817 -4.495 0.773 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.116 -9.869 -4.166 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.003 -11.126 -4.974 1.00 1.00 C ATOM 1596 C ARG A 94 0.457 -11.301 -5.410 1.00 1.00 C ATOM 1597 O ARG A 94 0.978 -12.402 -5.442 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.901 -11.030 -6.213 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.337 -11.407 -5.837 1.00 1.00 C ATOM 1600 CD ARG A 94 -4.288 -10.992 -6.963 1.00 1.00 C ATOM 1601 NE ARG A 94 -4.149 -11.941 -8.106 1.00 1.00 N ATOM 1602 CZ ARG A 94 -5.157 -12.695 -8.458 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -5.434 -13.777 -7.777 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -5.888 -12.365 -9.492 1.00 1.00 N ATOM 0 H ARG A 94 -1.779 -9.184 -4.527 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.318 -11.980 -4.374 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.874 -10.018 -6.617 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.532 -11.695 -6.994 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.408 -12.481 -5.664 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.621 -10.915 -4.907 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -5.317 -10.989 -6.602 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -4.061 -9.977 -7.289 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.266 -12.001 -8.613 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.863 -14.032 -6.971 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -6.221 -14.365 -8.052 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.671 -11.521 -10.022 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -6.675 -12.952 -9.768 1.00 1.00 H new ATOM 1618 N LYS A 95 1.117 -10.208 -5.723 1.00 1.00 N ATOM 1619 CA LYS A 95 2.551 -10.258 -6.138 1.00 1.00 C ATOM 1620 C LYS A 95 3.410 -10.762 -4.969 1.00 1.00 C ATOM 1621 O LYS A 95 4.406 -11.433 -5.173 1.00 1.00 O ATOM 1622 CB LYS A 95 3.013 -8.852 -6.535 1.00 1.00 C ATOM 1623 CG LYS A 95 3.830 -8.920 -7.830 1.00 1.00 C ATOM 1624 CD LYS A 95 3.207 -7.995 -8.878 1.00 1.00 C ATOM 1625 CE LYS A 95 3.519 -6.537 -8.529 1.00 1.00 C ATOM 1626 NZ LYS A 95 2.687 -5.631 -9.373 1.00 1.00 N ATOM 0 H LYS A 95 0.713 -9.272 -5.707 1.00 1.00 H new ATOM 0 HA LYS A 95 2.659 -10.935 -6.986 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.150 -8.201 -6.673 1.00 1.00 H new ATOM 0 HB3 LYS A 95 3.615 -8.418 -5.737 1.00 1.00 H new ATOM 0 HG2 LYS A 95 4.862 -8.625 -7.637 1.00 1.00 H new ATOM 0 HG3 LYS A 95 3.855 -9.944 -8.203 1.00 1.00 H new ATOM 0 HD2 LYS A 95 3.598 -8.234 -9.867 1.00 1.00 H new ATOM 0 HD3 LYS A 95 2.128 -8.147 -8.916 1.00 1.00 H new ATOM 0 HE2 LYS A 95 3.317 -6.354 -7.474 1.00 1.00 H new ATOM 0 HE3 LYS A 95 4.577 -6.332 -8.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 2.900 -4.641 -9.135 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 2.900 -5.799 -10.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.680 -5.820 -9.197 1.00 1.00 H new ATOM 1640 N GLY A 96 3.032 -10.440 -3.747 1.00 1.00 N ATOM 1641 CA GLY A 96 3.824 -10.895 -2.565 1.00 1.00 C ATOM 1642 C GLY A 96 3.794 -12.423 -2.489 1.00 1.00 C ATOM 1643 O GLY A 96 4.810 -13.059 -2.273 1.00 1.00 O ATOM 0 H GLY A 96 2.208 -9.881 -3.524 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.853 -10.544 -2.646 1.00 1.00 H new ATOM 0 HA3 GLY A 96 3.412 -10.467 -1.651 1.00 1.00 H new ATOM 1647 N TYR A 97 2.634 -13.011 -2.670 1.00 1.00 N ATOM 1648 CA TYR A 97 2.523 -14.508 -2.617 1.00 1.00 C ATOM 1649 C TYR A 97 3.297 -15.119 -3.792 1.00 1.00 C ATOM 1650 O TYR A 97 3.951 -16.134 -3.649 1.00 1.00 O ATOM 1651 CB TYR A 97 1.052 -14.954 -2.697 1.00 1.00 C ATOM 1652 CG TYR A 97 0.146 -13.937 -2.036 1.00 1.00 C ATOM 1653 CD1 TYR A 97 0.475 -13.401 -0.783 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.024 -13.530 -2.684 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.365 -12.458 -0.183 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -1.866 -12.590 -2.083 1.00 1.00 C ATOM 1657 CZ TYR A 97 -1.538 -12.053 -0.833 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.373 -11.131 -0.239 1.00 1.00 O ATOM 0 H TYR A 97 1.759 -12.520 -2.852 1.00 1.00 H new ATOM 0 HA TYR A 97 2.941 -14.850 -1.671 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.762 -15.082 -3.740 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.934 -15.923 -2.212 1.00 1.00 H new ATOM 0 HD1 TYR A 97 1.378 -13.717 -0.281 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.277 -13.942 -3.650 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.110 -12.042 0.781 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -2.771 -12.278 -2.584 1.00 1.00 H new ATOM 0 HH TYR A 97 -2.310 -11.213 0.736 1.00 1.00 H new ATOM 1668 N LEU A 98 3.221 -14.501 -4.952 1.00 1.00 N ATOM 1669 CA LEU A 98 3.941 -15.022 -6.154 1.00 1.00 C ATOM 1670 C LEU A 98 5.448 -15.079 -5.869 1.00 1.00 C ATOM 1671 O LEU A 98 6.094 -16.081 -6.119 1.00 1.00 O ATOM 1672 CB LEU A 98 3.664 -14.082 -7.340 1.00 1.00 C ATOM 1673 CG LEU A 98 4.332 -14.597 -8.626 1.00 1.00 C ATOM 1674 CD1 LEU A 98 5.815 -14.220 -8.626 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.191 -16.120 -8.723 1.00 1.00 C ATOM 0 H LEU A 98 2.684 -13.649 -5.114 1.00 1.00 H new ATOM 0 HA LEU A 98 3.592 -16.027 -6.392 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.589 -13.995 -7.495 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.034 -13.083 -7.110 1.00 1.00 H new ATOM 0 HG LEU A 98 3.840 -14.139 -9.484 1.00 1.00 H new ATOM 0 HD11 LEU A 98 6.284 -14.587 -9.539 1.00 1.00 H new ATOM 0 HD12 LEU A 98 5.915 -13.136 -8.578 1.00 1.00 H new ATOM 0 HD13 LEU A 98 6.304 -14.668 -7.761 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.668 -16.472 -9.638 1.00 1.00 H new ATOM 0 HD22 LEU A 98 4.670 -16.585 -7.862 1.00 1.00 H new ATOM 0 HD23 LEU A 98 3.134 -16.387 -8.739 1.00 1.00 H new ATOM 1687 N ASP A 99 6.007 -14.011 -5.352 1.00 1.00 N ATOM 1688 CA ASP A 99 7.472 -13.986 -5.048 1.00 1.00 C ATOM 1689 C ASP A 99 7.805 -15.044 -3.984 1.00 1.00 C ATOM 1690 O ASP A 99 8.794 -15.747 -4.094 1.00 1.00 O ATOM 1691 CB ASP A 99 7.859 -12.597 -4.527 1.00 1.00 C ATOM 1692 CG ASP A 99 9.385 -12.450 -4.530 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.923 -12.055 -5.552 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.990 -12.733 -3.507 1.00 1.00 O ATOM 0 H ASP A 99 5.508 -13.151 -5.126 1.00 1.00 H new ATOM 0 HA ASP A 99 8.031 -14.206 -5.957 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.409 -11.825 -5.151 1.00 1.00 H new ATOM 0 HB3 ASP A 99 7.473 -12.456 -3.518 1.00 1.00 H new ATOM 1699 N GLU A 100 6.991 -15.155 -2.957 1.00 1.00 N ATOM 1700 CA GLU A 100 7.257 -16.160 -1.879 1.00 1.00 C ATOM 1701 C GLU A 100 7.138 -17.584 -2.442 1.00 1.00 C ATOM 1702 O GLU A 100 8.055 -18.377 -2.326 1.00 1.00 O ATOM 1703 CB GLU A 100 6.244 -15.971 -0.743 1.00 1.00 C ATOM 1704 CG GLU A 100 6.872 -16.410 0.585 1.00 1.00 C ATOM 1705 CD GLU A 100 6.326 -17.785 0.988 1.00 1.00 C ATOM 1706 OE1 GLU A 100 6.868 -18.777 0.525 1.00 1.00 O ATOM 1707 OE2 GLU A 100 5.376 -17.823 1.754 1.00 1.00 O ATOM 0 H GLU A 100 6.152 -14.590 -2.821 1.00 1.00 H new ATOM 0 HA GLU A 100 8.267 -16.013 -1.497 1.00 1.00 H new ATOM 0 HB2 GLU A 100 5.939 -14.926 -0.685 1.00 1.00 H new ATOM 0 HB3 GLU A 100 5.346 -16.555 -0.943 1.00 1.00 H new ATOM 0 HG2 GLU A 100 7.957 -16.453 0.488 1.00 1.00 H new ATOM 0 HG3 GLU A 100 6.650 -15.678 1.362 1.00 1.00 H new