USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 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 60:sc= -6.43! USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= -0.734 (180deg=-0.766) 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 : amide:sc= -0.893 K(o=-0.89,f=-3.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -5.15! USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.202 (180deg=-0.509) USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.518) USER MOD Single : A 97 TYR OH : rot 110:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 8.919 -0.358 -3.833 1.00 1.00 N ATOM 352 CA GLU A 21 7.546 -0.121 -3.286 1.00 1.00 C ATOM 353 C GLU A 21 7.280 -1.086 -2.123 1.00 1.00 C ATOM 354 O GLU A 21 7.558 -2.270 -2.213 1.00 1.00 O ATOM 355 CB GLU A 21 6.504 -0.359 -4.389 1.00 1.00 C ATOM 356 CG GLU A 21 6.071 0.980 -4.999 1.00 1.00 C ATOM 357 CD GLU A 21 5.404 1.854 -3.930 1.00 1.00 C ATOM 358 OE1 GLU A 21 4.277 1.556 -3.563 1.00 1.00 O ATOM 359 OE2 GLU A 21 6.029 2.810 -3.500 1.00 1.00 O ATOM 0 HA GLU A 21 7.475 0.907 -2.931 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.922 -1.002 -5.163 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.638 -0.877 -3.977 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.937 1.496 -5.414 1.00 1.00 H new ATOM 0 HG3 GLU A 21 5.378 0.806 -5.822 1.00 1.00 H new ATOM 366 N ILE A 22 6.738 -0.590 -1.034 1.00 1.00 N ATOM 367 CA ILE A 22 6.441 -1.472 0.143 1.00 1.00 C ATOM 368 C ILE A 22 4.922 -1.535 0.344 1.00 1.00 C ATOM 369 O ILE A 22 4.200 -0.695 -0.167 1.00 1.00 O ATOM 370 CB ILE A 22 7.124 -0.925 1.405 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.361 0.597 1.292 1.00 1.00 C ATOM 372 CG2 ILE A 22 8.458 -1.640 1.587 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.656 0.888 0.518 1.00 1.00 C ATOM 0 H ILE A 22 6.488 0.391 -0.909 1.00 1.00 H new ATOM 0 HA ILE A 22 6.827 -2.474 -0.044 1.00 1.00 H new ATOM 0 HB ILE A 22 6.477 -1.103 2.264 1.00 1.00 H new ATOM 0 HG12 ILE A 22 6.516 1.065 0.787 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.420 1.036 2.288 1.00 1.00 H new ATOM 0 HG21 ILE A 22 8.955 -1.261 2.480 1.00 1.00 H new ATOM 0 HG22 ILE A 22 8.285 -2.711 1.694 1.00 1.00 H new ATOM 0 HG23 ILE A 22 9.089 -1.460 0.717 1.00 1.00 H new ATOM 0 HD11 ILE A 22 8.805 1.966 0.450 1.00 1.00 H new ATOM 0 HD12 ILE A 22 9.501 0.438 1.039 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.583 0.467 -0.485 1.00 1.00 H new ATOM 385 N LEU A 23 4.410 -2.520 1.063 1.00 1.00 N ATOM 386 CA LEU A 23 2.906 -2.575 1.233 1.00 1.00 C ATOM 387 C LEU A 23 2.570 -2.517 2.710 1.00 1.00 C ATOM 388 O LEU A 23 3.169 -3.229 3.476 1.00 1.00 O ATOM 389 CB LEU A 23 2.374 -3.884 0.651 1.00 1.00 C ATOM 390 CG LEU A 23 1.134 -3.614 -0.198 1.00 1.00 C ATOM 391 CD1 LEU A 23 0.863 -4.832 -1.079 1.00 1.00 C ATOM 392 CD2 LEU A 23 -0.070 -3.366 0.717 1.00 1.00 C ATOM 0 H LEU A 23 4.940 -3.260 1.523 1.00 1.00 H new ATOM 0 HA LEU A 23 2.450 -1.732 0.714 1.00 1.00 H new ATOM 0 HB2 LEU A 23 3.144 -4.361 0.044 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.129 -4.576 1.456 1.00 1.00 H new ATOM 0 HG LEU A 23 1.297 -2.735 -0.822 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -0.021 -4.650 -1.690 1.00 1.00 H new ATOM 0 HD12 LEU A 23 1.721 -5.011 -1.727 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.695 -5.706 -0.450 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -0.955 -3.173 0.110 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -0.241 -4.244 1.339 1.00 1.00 H new ATOM 0 HD23 LEU A 23 0.128 -2.504 1.353 1.00 1.00 H new ATOM 404 N GLY A 24 1.644 -1.696 3.151 1.00 1.00 N ATOM 405 CA GLY A 24 1.367 -1.667 4.623 1.00 1.00 C ATOM 406 C GLY A 24 -0.115 -1.506 4.950 1.00 1.00 C ATOM 407 O GLY A 24 -0.887 -0.948 4.195 1.00 1.00 O ATOM 0 H GLY A 24 1.085 -1.065 2.577 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.734 -2.589 5.074 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.924 -0.847 5.075 1.00 1.00 H new ATOM 411 N ILE A 25 -0.485 -1.957 6.121 1.00 1.00 N ATOM 412 CA ILE A 25 -1.885 -1.812 6.611 1.00 1.00 C ATOM 413 C ILE A 25 -1.873 -0.612 7.580 1.00 1.00 C ATOM 414 O ILE A 25 -0.930 -0.438 8.344 1.00 1.00 O ATOM 415 CB ILE A 25 -2.312 -3.102 7.337 1.00 1.00 C ATOM 416 CG1 ILE A 25 -3.806 -3.044 7.669 1.00 1.00 C ATOM 417 CG2 ILE A 25 -1.513 -3.270 8.633 1.00 1.00 C ATOM 418 CD1 ILE A 25 -4.366 -4.465 7.766 1.00 1.00 C ATOM 0 H ILE A 25 0.141 -2.431 6.772 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.592 -1.647 5.798 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.116 -3.950 6.681 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -3.959 -2.517 8.611 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.338 -2.484 6.900 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -1.824 -4.185 9.136 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -0.450 -3.328 8.400 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.696 -2.417 9.286 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -5.429 -4.422 8.002 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -4.226 -4.977 6.814 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.842 -5.010 8.551 1.00 1.00 H new ATOM 430 N ILE A 26 -2.875 0.235 7.535 1.00 1.00 N ATOM 431 CA ILE A 26 -2.876 1.441 8.424 1.00 1.00 C ATOM 432 C ILE A 26 -3.713 1.242 9.675 1.00 1.00 C ATOM 433 O ILE A 26 -4.719 0.541 9.692 1.00 1.00 O ATOM 434 CB ILE A 26 -3.424 2.670 7.695 1.00 1.00 C ATOM 435 CG1 ILE A 26 -4.663 2.295 6.872 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.345 3.246 6.792 1.00 1.00 C ATOM 437 CD1 ILE A 26 -5.404 3.565 6.445 1.00 1.00 C ATOM 0 H ILE A 26 -3.687 0.144 6.925 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.834 1.593 8.706 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.716 3.421 8.429 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -4.368 1.722 5.993 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.323 1.658 7.461 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -2.735 4.121 6.272 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -1.483 3.535 7.394 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -2.043 2.495 6.062 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -6.283 3.294 5.861 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -5.714 4.121 7.330 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -4.743 4.186 5.840 1.00 1.00 H new ATOM 449 N GLU A 27 -3.285 1.915 10.710 1.00 1.00 N ATOM 450 CA GLU A 27 -3.987 1.877 12.021 1.00 1.00 C ATOM 451 C GLU A 27 -3.952 3.284 12.642 1.00 1.00 C ATOM 452 O GLU A 27 -2.890 3.842 12.895 1.00 1.00 O ATOM 453 CB GLU A 27 -3.286 0.876 12.946 1.00 1.00 C ATOM 454 CG GLU A 27 -4.323 -0.068 13.563 1.00 1.00 C ATOM 455 CD GLU A 27 -4.686 0.414 14.972 1.00 1.00 C ATOM 456 OE1 GLU A 27 -5.517 1.302 15.081 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.126 -0.114 15.918 1.00 1.00 O ATOM 0 H GLU A 27 -2.454 2.506 10.697 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.022 1.565 11.884 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -2.547 0.304 12.386 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.749 1.407 13.732 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.216 -0.102 12.938 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.926 -1.082 13.606 1.00 1.00 H new ATOM 545 N ARG A 34 -0.971 12.094 11.020 1.00 1.00 N ATOM 546 CA ARG A 34 -0.237 10.902 10.497 1.00 1.00 C ATOM 547 C ARG A 34 -0.702 9.649 11.247 1.00 1.00 C ATOM 548 O ARG A 34 -1.034 9.696 12.419 1.00 1.00 O ATOM 549 CB ARG A 34 1.270 11.100 10.702 1.00 1.00 C ATOM 550 CG ARG A 34 2.042 9.903 10.140 1.00 1.00 C ATOM 551 CD ARG A 34 3.407 9.801 10.825 1.00 1.00 C ATOM 552 NE ARG A 34 4.259 10.966 10.441 1.00 1.00 N ATOM 553 CZ ARG A 34 4.592 11.158 9.189 1.00 1.00 C ATOM 554 NH1 ARG A 34 5.124 10.185 8.493 1.00 1.00 N ATOM 555 NH2 ARG A 34 4.397 12.326 8.637 1.00 1.00 N ATOM 0 HA ARG A 34 -0.443 10.783 9.433 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.594 12.016 10.208 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.488 11.216 11.764 1.00 1.00 H new ATOM 0 HG2 ARG A 34 1.475 8.986 10.299 1.00 1.00 H new ATOM 0 HG3 ARG A 34 2.172 10.015 9.064 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.279 9.774 11.907 1.00 1.00 H new ATOM 0 HD3 ARG A 34 3.898 8.871 10.539 1.00 1.00 H new ATOM 0 HE ARG A 34 4.583 11.615 11.158 1.00 1.00 H new ATOM 0 HH11 ARG A 34 5.280 9.275 8.926 1.00 1.00 H new ATOM 0 HH12 ARG A 34 5.382 10.337 7.518 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.987 13.085 9.181 1.00 1.00 H new ATOM 0 HH22 ARG A 34 4.655 12.479 7.662 1.00 1.00 H new ATOM 569 N VAL A 35 -0.730 8.536 10.566 1.00 1.00 N ATOM 570 CA VAL A 35 -1.168 7.259 11.184 1.00 1.00 C ATOM 571 C VAL A 35 0.043 6.332 11.307 1.00 1.00 C ATOM 572 O VAL A 35 1.037 6.512 10.625 1.00 1.00 O ATOM 573 CB VAL A 35 -2.234 6.642 10.268 1.00 1.00 C ATOM 574 CG1 VAL A 35 -2.036 5.136 10.126 1.00 1.00 C ATOM 575 CG2 VAL A 35 -3.617 6.927 10.844 1.00 1.00 C ATOM 0 H VAL A 35 -0.461 8.460 9.585 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.586 7.417 12.178 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.141 7.089 9.278 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -2.806 4.728 9.471 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.053 4.937 9.698 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.107 4.666 11.107 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.378 6.491 10.197 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -3.694 6.490 11.840 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -3.770 8.004 10.908 1.00 1.00 H new ATOM 585 N ARG A 36 -0.036 5.323 12.135 1.00 1.00 N ATOM 586 CA ARG A 36 1.117 4.374 12.245 1.00 1.00 C ATOM 587 C ARG A 36 0.776 3.147 11.415 1.00 1.00 C ATOM 588 O ARG A 36 -0.367 2.727 11.355 1.00 1.00 O ATOM 589 CB ARG A 36 1.367 3.983 13.695 1.00 1.00 C ATOM 590 CG ARG A 36 2.480 2.931 13.777 1.00 1.00 C ATOM 591 CD ARG A 36 2.073 1.834 14.762 1.00 1.00 C ATOM 592 NE ARG A 36 1.031 0.965 14.142 1.00 1.00 N ATOM 593 CZ ARG A 36 0.042 0.511 14.864 1.00 1.00 C ATOM 594 NH1 ARG A 36 -0.947 1.303 15.192 1.00 1.00 N ATOM 595 NH2 ARG A 36 0.041 -0.736 15.262 1.00 1.00 N ATOM 0 H ARG A 36 -0.836 5.115 12.733 1.00 1.00 H new ATOM 0 HA ARG A 36 2.029 4.846 11.879 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.646 4.864 14.274 1.00 1.00 H new ATOM 0 HB3 ARG A 36 0.451 3.589 14.136 1.00 1.00 H new ATOM 0 HG2 ARG A 36 2.662 2.501 12.792 1.00 1.00 H new ATOM 0 HG3 ARG A 36 3.412 3.396 14.099 1.00 1.00 H new ATOM 0 HD2 ARG A 36 2.943 1.237 15.036 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.690 2.280 15.680 1.00 1.00 H new ATOM 0 HE ARG A 36 1.091 0.725 13.152 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -0.946 2.275 14.884 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -1.719 0.948 15.756 1.00 1.00 H new ATOM 0 HH21 ARG A 36 0.813 -1.353 15.008 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -0.731 -1.091 15.826 1.00 1.00 H new ATOM 609 N VAL A 37 1.740 2.603 10.730 1.00 1.00 N ATOM 610 CA VAL A 37 1.461 1.460 9.856 1.00 1.00 C ATOM 611 C VAL A 37 2.492 0.338 10.030 1.00 1.00 C ATOM 612 O VAL A 37 3.679 0.562 10.232 1.00 1.00 O ATOM 613 CB VAL A 37 1.529 1.984 8.430 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.959 0.878 7.492 1.00 1.00 C ATOM 615 CG2 VAL A 37 0.166 2.523 8.006 1.00 1.00 C ATOM 0 H VAL A 37 2.712 2.911 10.746 1.00 1.00 H new ATOM 0 HA VAL A 37 0.486 1.038 10.101 1.00 1.00 H new ATOM 0 HB VAL A 37 2.260 2.792 8.386 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.005 1.262 6.473 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.943 0.513 7.787 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.240 0.061 7.539 1.00 1.00 H new ATOM 0 HG21 VAL A 37 0.224 2.896 6.984 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -0.574 1.724 8.059 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.128 3.334 8.672 1.00 1.00 H new ATOM 625 N ARG A 38 2.025 -0.862 9.839 1.00 1.00 N ATOM 626 CA ARG A 38 2.912 -2.069 9.863 1.00 1.00 C ATOM 627 C ARG A 38 2.904 -2.582 8.428 1.00 1.00 C ATOM 628 O ARG A 38 1.890 -2.485 7.756 1.00 1.00 O ATOM 629 CB ARG A 38 2.386 -3.144 10.826 1.00 1.00 C ATOM 630 CG ARG A 38 0.855 -3.243 10.750 1.00 1.00 C ATOM 631 CD ARG A 38 0.312 -3.877 12.034 1.00 1.00 C ATOM 632 NE ARG A 38 0.196 -5.354 11.858 1.00 1.00 N ATOM 633 CZ ARG A 38 0.671 -6.163 12.769 1.00 1.00 C ATOM 634 NH1 ARG A 38 -0.041 -6.445 13.828 1.00 1.00 N ATOM 635 NH2 ARG A 38 1.859 -6.688 12.619 1.00 1.00 N ATOM 0 H ARG A 38 1.042 -1.067 9.662 1.00 1.00 H new ATOM 0 HA ARG A 38 3.914 -1.823 10.216 1.00 1.00 H new ATOM 0 HB2 ARG A 38 2.830 -4.108 10.579 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.689 -2.905 11.845 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.424 -2.251 10.612 1.00 1.00 H new ATOM 0 HG3 ARG A 38 0.562 -3.840 9.887 1.00 1.00 H new ATOM 0 HD2 ARG A 38 0.974 -3.652 12.870 1.00 1.00 H new ATOM 0 HD3 ARG A 38 -0.662 -3.453 12.276 1.00 1.00 H new ATOM 0 HE ARG A 38 -0.255 -5.734 11.025 1.00 1.00 H new ATOM 0 HH11 ARG A 38 -0.967 -6.034 13.944 1.00 1.00 H new ATOM 0 HH12 ARG A 38 0.330 -7.076 14.538 1.00 1.00 H new ATOM 0 HH21 ARG A 38 2.414 -6.466 11.792 1.00 1.00 H new ATOM 0 HH22 ARG A 38 2.231 -7.319 13.329 1.00 1.00 H new ATOM 649 N CYS A 39 4.009 -3.049 7.902 1.00 1.00 N ATOM 650 CA CYS A 39 3.967 -3.437 6.465 1.00 1.00 C ATOM 651 C CYS A 39 4.757 -4.701 6.112 1.00 1.00 C ATOM 652 O CYS A 39 5.717 -5.091 6.766 1.00 1.00 O ATOM 653 CB CYS A 39 4.523 -2.254 5.670 1.00 1.00 C ATOM 654 SG CYS A 39 6.085 -2.710 4.880 1.00 1.00 S ATOM 0 H CYS A 39 4.900 -3.174 8.382 1.00 1.00 H new ATOM 0 HA CYS A 39 2.932 -3.675 6.220 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.802 -1.944 4.914 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.677 -1.402 6.332 1.00 1.00 H new ATOM 0 HG CYS A 39 5.889 -3.714 4.078 1.00 1.00 H new ATOM 660 N LEU A 40 4.368 -5.274 4.997 1.00 1.00 N ATOM 661 CA LEU A 40 5.029 -6.451 4.432 1.00 1.00 C ATOM 662 C LEU A 40 6.072 -5.956 3.434 1.00 1.00 C ATOM 663 O LEU A 40 6.206 -4.746 3.169 1.00 1.00 O ATOM 664 CB LEU A 40 3.997 -7.309 3.720 1.00 1.00 C ATOM 665 CG LEU A 40 4.307 -8.792 3.900 1.00 1.00 C ATOM 666 CD1 LEU A 40 4.587 -9.101 5.376 1.00 1.00 C ATOM 667 CD2 LEU A 40 3.093 -9.589 3.439 1.00 1.00 C ATOM 0 H LEU A 40 3.578 -4.942 4.444 1.00 1.00 H new ATOM 0 HA LEU A 40 5.503 -7.048 5.211 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.004 -7.091 4.112 1.00 1.00 H new ATOM 0 HB3 LEU A 40 3.983 -7.062 2.658 1.00 1.00 H new ATOM 0 HG LEU A 40 5.188 -9.059 3.316 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.807 -10.163 5.490 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.441 -8.515 5.715 1.00 1.00 H new ATOM 0 HD13 LEU A 40 3.712 -8.845 5.974 1.00 1.00 H new ATOM 0 HD21 LEU A 40 3.291 -10.654 3.558 1.00 1.00 H new ATOM 0 HD22 LEU A 40 2.226 -9.311 4.039 1.00 1.00 H new ATOM 0 HD23 LEU A 40 2.893 -9.372 2.390 1.00 1.00 H new ATOM 679 N ASP A 41 6.853 -6.881 2.949 1.00 1.00 N ATOM 680 CA ASP A 41 8.020 -6.546 2.110 1.00 1.00 C ATOM 681 C ASP A 41 9.089 -6.062 3.124 1.00 1.00 C ATOM 682 O ASP A 41 10.050 -5.394 2.789 1.00 1.00 O ATOM 683 CB ASP A 41 7.677 -5.434 1.102 1.00 1.00 C ATOM 684 CG ASP A 41 8.565 -5.566 -0.138 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.226 -6.356 -1.006 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.566 -4.872 -0.203 1.00 1.00 O ATOM 0 H ASP A 41 6.721 -7.880 3.108 1.00 1.00 H new ATOM 0 HA ASP A 41 8.360 -7.393 1.514 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.627 -5.500 0.817 1.00 1.00 H new ATOM 0 HB3 ASP A 41 7.822 -4.456 1.562 1.00 1.00 H new ATOM 691 N GLY A 42 8.918 -6.502 4.382 1.00 1.00 N ATOM 692 CA GLY A 42 9.884 -6.212 5.494 1.00 1.00 C ATOM 693 C GLY A 42 9.975 -4.730 5.880 1.00 1.00 C ATOM 694 O GLY A 42 11.065 -4.185 5.887 1.00 1.00 O ATOM 0 H GLY A 42 8.118 -7.065 4.671 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.592 -6.787 6.373 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.874 -6.560 5.200 1.00 1.00 H new ATOM 698 N LYS A 43 8.888 -4.061 6.238 1.00 1.00 N ATOM 699 CA LYS A 43 9.052 -2.625 6.648 1.00 1.00 C ATOM 700 C LYS A 43 8.074 -2.211 7.757 1.00 1.00 C ATOM 701 O LYS A 43 6.961 -2.694 7.850 1.00 1.00 O ATOM 702 CB LYS A 43 8.887 -1.699 5.444 1.00 1.00 C ATOM 703 CG LYS A 43 9.778 -0.464 5.619 1.00 1.00 C ATOM 704 CD LYS A 43 11.222 -0.798 5.217 1.00 1.00 C ATOM 705 CE LYS A 43 12.067 -1.070 6.468 1.00 1.00 C ATOM 706 NZ LYS A 43 12.223 0.185 7.260 1.00 1.00 N ATOM 0 H LYS A 43 7.938 -4.431 6.263 1.00 1.00 H new ATOM 0 HA LYS A 43 10.061 -2.530 7.048 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.154 -2.226 4.528 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.844 -1.397 5.345 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.402 0.356 5.007 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.749 -0.128 6.655 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.233 -1.671 4.564 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.651 0.029 4.651 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.592 -1.838 7.078 1.00 1.00 H new ATOM 0 HE3 LYS A 43 13.046 -1.452 6.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.917 0.032 8.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.553 0.950 6.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.307 0.449 7.676 1.00 1.00 H new ATOM 720 N THR A 44 8.494 -1.259 8.554 1.00 1.00 N ATOM 721 CA THR A 44 7.628 -0.694 9.643 1.00 1.00 C ATOM 722 C THR A 44 7.763 0.826 9.548 1.00 1.00 C ATOM 723 O THR A 44 8.860 1.380 9.642 1.00 1.00 O ATOM 724 CB THR A 44 8.062 -1.176 11.035 1.00 1.00 C ATOM 725 OG1 THR A 44 8.983 -2.255 10.927 1.00 1.00 O ATOM 726 CG2 THR A 44 6.819 -1.630 11.804 1.00 1.00 C ATOM 0 H THR A 44 9.422 -0.839 8.496 1.00 1.00 H new ATOM 0 HA THR A 44 6.597 -1.025 9.513 1.00 1.00 H new ATOM 0 HB THR A 44 8.555 -0.360 11.563 1.00 1.00 H new ATOM 0 HG1 THR A 44 9.250 -2.548 11.823 1.00 1.00 H new ATOM 0 HG21 THR A 44 7.111 -1.976 12.796 1.00 1.00 H new ATOM 0 HG22 THR A 44 6.125 -0.795 11.900 1.00 1.00 H new ATOM 0 HG23 THR A 44 6.334 -2.444 11.264 1.00 1.00 H new ATOM 734 N ARG A 45 6.673 1.505 9.282 1.00 1.00 N ATOM 735 CA ARG A 45 6.769 2.979 9.091 1.00 1.00 C ATOM 736 C ARG A 45 5.540 3.722 9.597 1.00 1.00 C ATOM 737 O ARG A 45 4.459 3.173 9.714 1.00 1.00 O ATOM 738 CB ARG A 45 6.910 3.280 7.593 1.00 1.00 C ATOM 739 CG ARG A 45 7.729 2.186 6.894 1.00 1.00 C ATOM 740 CD ARG A 45 7.329 2.109 5.424 1.00 1.00 C ATOM 741 NE ARG A 45 5.845 2.007 5.327 1.00 1.00 N ATOM 742 CZ ARG A 45 5.266 0.931 4.863 1.00 1.00 C ATOM 743 NH1 ARG A 45 5.916 0.089 4.104 1.00 1.00 N ATOM 744 NH2 ARG A 45 4.013 0.714 5.145 1.00 1.00 N ATOM 0 H ARG A 45 5.738 1.107 9.191 1.00 1.00 H new ATOM 0 HA ARG A 45 7.633 3.318 9.663 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.923 3.350 7.137 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.394 4.247 7.455 1.00 1.00 H new ATOM 0 HG2 ARG A 45 8.794 2.403 6.981 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.559 1.225 7.379 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.681 2.993 4.892 1.00 1.00 H new ATOM 0 HD3 ARG A 45 7.797 1.245 4.952 1.00 1.00 H new ATOM 0 HE ARG A 45 5.270 2.793 5.629 1.00 1.00 H new ATOM 0 HH11 ARG A 45 6.892 0.266 3.865 1.00 1.00 H new ATOM 0 HH12 ARG A 45 5.448 -0.746 3.751 1.00 1.00 H new ATOM 0 HH21 ARG A 45 3.497 1.379 5.721 1.00 1.00 H new ATOM 0 HH22 ARG A 45 3.548 -0.121 4.790 1.00 1.00 H new ATOM 758 N LEU A 46 5.695 5.006 9.789 1.00 1.00 N ATOM 759 CA LEU A 46 4.538 5.868 10.168 1.00 1.00 C ATOM 760 C LEU A 46 4.102 6.485 8.833 1.00 1.00 C ATOM 761 O LEU A 46 4.892 7.138 8.169 1.00 1.00 O ATOM 762 CB LEU A 46 4.989 6.968 11.142 1.00 1.00 C ATOM 763 CG LEU A 46 6.008 6.404 12.140 1.00 1.00 C ATOM 764 CD1 LEU A 46 7.410 6.905 11.782 1.00 1.00 C ATOM 765 CD2 LEU A 46 5.651 6.871 13.553 1.00 1.00 C ATOM 0 H LEU A 46 6.584 5.499 9.698 1.00 1.00 H new ATOM 0 HA LEU A 46 3.740 5.319 10.667 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.431 7.796 10.588 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.127 7.367 11.677 1.00 1.00 H new ATOM 0 HG LEU A 46 5.988 5.315 12.098 1.00 1.00 H new ATOM 0 HD11 LEU A 46 8.132 6.503 12.492 1.00 1.00 H new ATOM 0 HD12 LEU A 46 7.668 6.575 10.776 1.00 1.00 H new ATOM 0 HD13 LEU A 46 7.429 7.994 11.823 1.00 1.00 H new ATOM 0 HD21 LEU A 46 6.375 6.470 14.262 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.669 7.960 13.592 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.654 6.516 13.813 1.00 1.00 H new ATOM 777 N GLY A 47 2.899 6.225 8.384 1.00 1.00 N ATOM 778 CA GLY A 47 2.482 6.732 7.041 1.00 1.00 C ATOM 779 C GLY A 47 1.597 7.970 7.127 1.00 1.00 C ATOM 780 O GLY A 47 0.892 8.186 8.097 1.00 1.00 O ATOM 0 H GLY A 47 2.192 5.687 8.886 1.00 1.00 H new ATOM 0 HA2 GLY A 47 3.370 6.966 6.454 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.947 5.944 6.510 1.00 1.00 H new ATOM 784 N ARG A 48 1.621 8.770 6.084 1.00 1.00 N ATOM 785 CA ARG A 48 0.779 9.995 6.050 1.00 1.00 C ATOM 786 C ARG A 48 -0.306 9.859 4.980 1.00 1.00 C ATOM 787 O ARG A 48 -0.181 9.100 4.033 1.00 1.00 O ATOM 788 CB ARG A 48 1.639 11.219 5.748 1.00 1.00 C ATOM 789 CG ARG A 48 1.724 12.107 6.990 1.00 1.00 C ATOM 790 CD ARG A 48 0.564 13.107 6.990 1.00 1.00 C ATOM 791 NE ARG A 48 1.095 14.484 6.780 1.00 1.00 N ATOM 792 CZ ARG A 48 1.610 15.146 7.784 1.00 1.00 C ATOM 793 NH1 ARG A 48 0.826 15.763 8.629 1.00 1.00 N ATOM 794 NH2 ARG A 48 2.908 15.192 7.940 1.00 1.00 N ATOM 0 H ARG A 48 2.194 8.619 5.254 1.00 1.00 H new ATOM 0 HA ARG A 48 0.310 10.119 7.026 1.00 1.00 H new ATOM 0 HB2 ARG A 48 2.638 10.907 5.443 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.212 11.780 4.917 1.00 1.00 H new ATOM 0 HG2 ARG A 48 1.688 11.494 7.890 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.675 12.639 7.004 1.00 1.00 H new ATOM 0 HD2 ARG A 48 -0.147 12.856 6.203 1.00 1.00 H new ATOM 0 HD3 ARG A 48 0.024 13.054 7.935 1.00 1.00 H new ATOM 0 HE ARG A 48 1.057 14.910 5.854 1.00 1.00 H new ATOM 0 HH11 ARG A 48 -0.186 15.728 8.505 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.226 16.279 9.412 1.00 1.00 H new ATOM 0 HH21 ARG A 48 3.518 14.712 7.279 1.00 1.00 H new ATOM 0 HH22 ARG A 48 3.310 15.708 8.723 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.374 -0.356 7.812 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.604 -0.239 6.331 1.00 1.00 C ATOM 1058 C ASP A 63 -6.341 -0.707 5.603 1.00 1.00 C ATOM 1059 O ASP A 63 -5.276 -0.748 6.191 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.903 1.221 5.970 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.173 1.295 5.115 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.239 1.018 5.642 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.058 1.631 3.948 1.00 1.00 O ATOM 0 HA ASP A 63 -8.453 -0.855 6.034 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -8.030 1.811 6.878 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.062 1.650 5.426 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.419 -1.058 4.339 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.174 -1.513 3.632 1.00 1.00 C ATOM 1070 C VAL A 64 -4.686 -0.401 2.712 1.00 1.00 C ATOM 1071 O VAL A 64 -5.472 0.256 2.048 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.436 -2.774 2.810 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -4.187 -3.655 2.829 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.619 -3.551 3.397 1.00 1.00 C ATOM 0 H VAL A 64 -7.270 -1.051 3.776 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.416 -1.744 4.380 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.674 -2.490 1.785 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.369 -4.556 2.244 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.348 -3.107 2.400 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.952 -3.931 3.857 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.796 -4.448 2.803 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.393 -3.835 4.425 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.510 -2.923 3.382 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.397 -0.170 2.682 1.00 1.00 N ATOM 1085 CA VAL A 65 -2.857 0.925 1.822 1.00 1.00 C ATOM 1086 C VAL A 65 -1.532 0.518 1.169 1.00 1.00 C ATOM 1087 O VAL A 65 -0.806 -0.320 1.672 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.609 2.176 2.692 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -3.800 2.415 3.620 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.353 1.983 3.550 1.00 1.00 C ATOM 0 H VAL A 65 -2.699 -0.690 3.214 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.586 1.132 1.039 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.477 3.032 2.030 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.615 3.300 4.229 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.700 2.566 3.025 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.935 1.550 4.269 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.188 2.872 4.159 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.485 1.117 4.199 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.491 1.822 2.902 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.183 1.175 0.093 1.00 1.00 N ATOM 1101 CA ILE A 66 0.143 0.910 -0.557 1.00 1.00 C ATOM 1102 C ILE A 66 1.057 2.041 -0.072 1.00 1.00 C ATOM 1103 O ILE A 66 0.570 3.119 0.240 1.00 1.00 O ATOM 1104 CB ILE A 66 0.014 0.915 -2.089 1.00 1.00 C ATOM 1105 CG1 ILE A 66 1.228 0.206 -2.699 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -0.056 2.351 -2.619 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.936 -0.145 -4.159 1.00 1.00 C ATOM 0 H ILE A 66 -1.756 1.883 -0.366 1.00 1.00 H new ATOM 0 HA ILE A 66 0.540 -0.070 -0.293 1.00 1.00 H new ATOM 0 HB ILE A 66 -0.902 0.395 -2.368 1.00 1.00 H new ATOM 0 HG12 ILE A 66 2.106 0.849 -2.637 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.455 -0.699 -2.135 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -0.147 2.334 -3.705 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -0.922 2.855 -2.190 1.00 1.00 H new ATOM 0 HG23 ILE A 66 0.851 2.887 -2.339 1.00 1.00 H new ATOM 0 HD11 ILE A 66 1.800 -0.649 -4.592 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.069 -0.804 -4.208 1.00 1.00 H new ATOM 0 HD13 ILE A 66 0.731 0.768 -4.719 1.00 1.00 H new ATOM 1119 N VAL A 67 2.345 1.823 0.073 1.00 1.00 N ATOM 1120 CA VAL A 67 3.178 2.934 0.635 1.00 1.00 C ATOM 1121 C VAL A 67 4.490 3.193 -0.121 1.00 1.00 C ATOM 1122 O VAL A 67 5.076 2.324 -0.765 1.00 1.00 O ATOM 1123 CB VAL A 67 3.497 2.636 2.120 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.566 1.543 2.665 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.951 2.174 2.283 1.00 1.00 C ATOM 0 H VAL A 67 2.838 0.962 -0.162 1.00 1.00 H new ATOM 0 HA VAL A 67 2.582 3.840 0.526 1.00 1.00 H new ATOM 0 HB VAL A 67 3.345 3.558 2.680 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.806 1.348 3.710 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.531 1.875 2.587 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.699 0.629 2.086 1.00 1.00 H new ATOM 0 HG21 VAL A 67 5.152 1.970 3.335 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.112 1.267 1.700 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.623 2.956 1.930 1.00 1.00 H new ATOM 1135 N LYS A 68 4.964 4.409 0.058 1.00 1.00 N ATOM 1136 CA LYS A 68 6.252 4.878 -0.509 1.00 1.00 C ATOM 1137 C LYS A 68 7.264 4.900 0.641 1.00 1.00 C ATOM 1138 O LYS A 68 6.857 5.040 1.784 1.00 1.00 O ATOM 1139 CB LYS A 68 6.083 6.284 -1.095 1.00 1.00 C ATOM 1140 CG LYS A 68 4.981 6.264 -2.160 1.00 1.00 C ATOM 1141 CD LYS A 68 5.203 7.398 -3.166 1.00 1.00 C ATOM 1142 CE LYS A 68 4.900 8.745 -2.504 1.00 1.00 C ATOM 1143 NZ LYS A 68 5.128 9.844 -3.487 1.00 1.00 N ATOM 0 H LYS A 68 4.476 5.120 0.603 1.00 1.00 H new ATOM 0 HA LYS A 68 6.591 4.221 -1.310 1.00 1.00 H new ATOM 0 HB2 LYS A 68 5.828 6.991 -0.305 1.00 1.00 H new ATOM 0 HB3 LYS A 68 7.022 6.622 -1.534 1.00 1.00 H new ATOM 0 HG2 LYS A 68 4.980 5.304 -2.676 1.00 1.00 H new ATOM 0 HG3 LYS A 68 4.005 6.372 -1.687 1.00 1.00 H new ATOM 0 HD2 LYS A 68 6.232 7.382 -3.525 1.00 1.00 H new ATOM 0 HD3 LYS A 68 4.560 7.257 -4.035 1.00 1.00 H new ATOM 0 HE2 LYS A 68 3.869 8.766 -2.152 1.00 1.00 H new ATOM 0 HE3 LYS A 68 5.538 8.885 -1.631 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 4.922 10.759 -3.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 6.119 9.828 -3.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 4.502 9.712 -4.307 1.00 1.00 H new ATOM 1157 N PRO A 69 8.533 4.742 0.322 1.00 1.00 N ATOM 1158 CA PRO A 69 9.613 4.686 1.337 1.00 1.00 C ATOM 1159 C PRO A 69 10.190 6.069 1.678 1.00 1.00 C ATOM 1160 O PRO A 69 10.352 6.931 0.832 1.00 1.00 O ATOM 1161 CB PRO A 69 10.696 3.873 0.627 1.00 1.00 C ATOM 1162 CG PRO A 69 10.444 4.035 -0.899 1.00 1.00 C ATOM 1163 CD PRO A 69 9.005 4.557 -1.065 1.00 1.00 C ATOM 0 HA PRO A 69 9.252 4.273 2.279 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.689 4.232 0.896 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.647 2.824 0.919 1.00 1.00 H new ATOM 0 HG2 PRO A 69 11.160 4.731 -1.336 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.571 3.083 -1.414 1.00 1.00 H new ATOM 0 HD2 PRO A 69 8.981 5.493 -1.623 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.382 3.846 -1.608 1.00 1.00 H new ATOM 1171 N TRP A 70 10.485 6.258 2.948 1.00 1.00 N ATOM 1172 CA TRP A 70 11.043 7.548 3.459 1.00 1.00 C ATOM 1173 C TRP A 70 12.368 7.241 4.156 1.00 1.00 C ATOM 1174 O TRP A 70 12.363 6.501 5.143 1.00 1.00 O ATOM 1175 CB TRP A 70 10.154 8.152 4.537 1.00 1.00 C ATOM 1176 CG TRP A 70 9.001 8.723 3.916 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.309 8.107 2.974 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.368 9.991 4.166 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.298 8.893 2.610 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.272 10.077 3.314 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.632 11.063 5.037 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.448 11.172 3.306 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.796 12.190 5.037 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.699 12.244 4.169 1.00 1.00 C ATOM 0 H TRP A 70 10.356 5.547 3.668 1.00 1.00 H new ATOM 0 HA TRP A 70 11.135 8.232 2.615 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.857 7.386 5.254 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.700 8.914 5.093 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.527 7.130 2.568 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.619 8.646 1.890 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.479 11.019 5.706 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.604 11.207 2.633 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 7.998 13.014 5.705 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.051 13.108 4.166 1.00 1.00 H new ATOM 1262 N GLN A 76 11.218 3.784 9.365 1.00 1.00 N ATOM 1263 CA GLN A 76 10.972 4.351 8.005 1.00 1.00 C ATOM 1264 C GLN A 76 9.650 5.124 7.978 1.00 1.00 C ATOM 1265 O GLN A 76 8.766 4.899 8.784 1.00 1.00 O ATOM 1266 CB GLN A 76 10.956 3.205 6.983 1.00 1.00 C ATOM 1267 CG GLN A 76 10.419 3.696 5.632 1.00 1.00 C ATOM 1268 CD GLN A 76 10.933 2.794 4.506 1.00 1.00 C ATOM 1269 OE1 GLN A 76 10.160 2.136 3.839 1.00 1.00 O ATOM 1270 NE2 GLN A 76 12.215 2.741 4.257 1.00 1.00 N ATOM 0 HA GLN A 76 11.769 5.049 7.750 1.00 1.00 H new ATOM 0 HB2 GLN A 76 11.963 2.808 6.858 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.335 2.389 7.353 1.00 1.00 H new ATOM 0 HG2 GLN A 76 9.329 3.694 5.642 1.00 1.00 H new ATOM 0 HG3 GLN A 76 10.734 4.725 5.458 1.00 1.00 H new ATOM 0 HE21 GLN A 76 12.866 3.293 4.816 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.564 2.148 3.504 1.00 1.00 H new ATOM 1279 N LYS A 77 9.514 6.031 7.041 1.00 1.00 N ATOM 1280 CA LYS A 77 8.231 6.810 6.917 1.00 1.00 C ATOM 1281 C LYS A 77 7.595 6.436 5.587 1.00 1.00 C ATOM 1282 O LYS A 77 8.273 5.937 4.711 1.00 1.00 O ATOM 1283 CB LYS A 77 8.519 8.311 6.972 1.00 1.00 C ATOM 1284 CG LYS A 77 8.262 8.834 8.381 1.00 1.00 C ATOM 1285 CD LYS A 77 8.645 10.313 8.441 1.00 1.00 C ATOM 1286 CE LYS A 77 8.942 10.711 9.886 1.00 1.00 C ATOM 1287 NZ LYS A 77 7.669 11.045 10.583 1.00 1.00 N ATOM 0 H LYS A 77 10.231 6.269 6.356 1.00 1.00 H new ATOM 0 HA LYS A 77 7.555 6.573 7.739 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.553 8.503 6.686 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.887 8.838 6.257 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.212 8.706 8.644 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.844 8.265 9.106 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.519 10.498 7.816 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.835 10.925 8.045 1.00 1.00 H new ATOM 0 HE2 LYS A 77 9.448 9.895 10.402 1.00 1.00 H new ATOM 0 HE3 LYS A 77 9.616 11.568 9.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.872 11.316 11.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.203 11.837 10.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 7.041 10.216 10.575 1.00 1.00 H new ATOM 1301 N CYS A 78 6.324 6.625 5.400 1.00 1.00 N ATOM 1302 CA CYS A 78 5.743 6.238 4.084 1.00 1.00 C ATOM 1303 C CYS A 78 4.613 7.164 3.668 1.00 1.00 C ATOM 1304 O CYS A 78 3.924 7.742 4.493 1.00 1.00 O ATOM 1305 CB CYS A 78 5.225 4.802 4.147 1.00 1.00 C ATOM 1306 SG CYS A 78 3.777 4.712 5.228 1.00 1.00 S ATOM 0 H CYS A 78 5.673 7.020 6.079 1.00 1.00 H new ATOM 0 HA CYS A 78 6.535 6.319 3.340 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.964 4.457 3.147 1.00 1.00 H new ATOM 0 HB3 CYS A 78 6.008 4.140 4.518 1.00 1.00 H new ATOM 0 HG CYS A 78 3.344 3.487 5.272 1.00 1.00 H new ATOM 1312 N ASP A 79 4.367 7.240 2.385 1.00 1.00 N ATOM 1313 CA ASP A 79 3.201 8.062 1.907 1.00 1.00 C ATOM 1314 C ASP A 79 2.195 7.034 1.406 1.00 1.00 C ATOM 1315 O ASP A 79 2.516 6.250 0.528 1.00 1.00 O ATOM 1316 CB ASP A 79 3.628 8.998 0.768 1.00 1.00 C ATOM 1317 CG ASP A 79 2.810 10.293 0.831 1.00 1.00 C ATOM 1318 OD1 ASP A 79 3.182 11.169 1.595 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.829 10.387 0.111 1.00 1.00 O ATOM 0 H ASP A 79 4.909 6.779 1.654 1.00 1.00 H new ATOM 0 HA ASP A 79 2.792 8.699 2.691 1.00 1.00 H new ATOM 0 HB2 ASP A 79 4.691 9.224 0.849 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.478 8.508 -0.194 1.00 1.00 H new ATOM 1324 N ILE A 80 1.032 6.946 1.990 1.00 1.00 N ATOM 1325 CA ILE A 80 0.110 5.853 1.553 1.00 1.00 C ATOM 1326 C ILE A 80 -1.220 6.312 0.999 1.00 1.00 C ATOM 1327 O ILE A 80 -1.718 7.393 1.262 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.198 4.918 2.723 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.793 5.713 3.903 1.00 1.00 C ATOM 1330 CG2 ILE A 80 1.070 4.189 3.135 1.00 1.00 C ATOM 1331 CD1 ILE A 80 0.283 6.050 4.940 1.00 1.00 C ATOM 0 H ILE A 80 0.685 7.560 2.727 1.00 1.00 H new ATOM 0 HA ILE A 80 0.652 5.359 0.746 1.00 1.00 H new ATOM 0 HB ILE A 80 -0.939 4.180 2.414 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -1.247 6.633 3.534 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.586 5.132 4.373 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.852 3.522 3.969 1.00 1.00 H new ATOM 0 HG22 ILE A 80 1.445 3.607 2.293 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.825 4.915 3.439 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -0.165 6.611 5.760 1.00 1.00 H new ATOM 0 HD12 ILE A 80 0.718 5.128 5.326 1.00 1.00 H new ATOM 0 HD13 ILE A 80 1.063 6.652 4.473 1.00 1.00 H new ATOM 1343 N ILE A 81 -1.815 5.395 0.291 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.177 5.588 -0.274 1.00 1.00 C ATOM 1345 C ILE A 81 -4.037 4.492 0.360 1.00 1.00 C ATOM 1346 O ILE A 81 -3.721 3.310 0.257 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.170 5.462 -1.806 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -2.556 4.122 -2.231 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -2.352 6.608 -2.405 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -3.622 3.262 -2.914 1.00 1.00 C ATOM 0 H ILE A 81 -1.398 4.490 0.074 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.562 6.584 -0.057 1.00 1.00 H new ATOM 0 HB ILE A 81 -4.197 5.509 -2.168 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -1.721 4.292 -2.911 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -2.157 3.601 -1.361 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -2.345 6.521 -3.492 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -2.798 7.561 -2.120 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -1.329 6.559 -2.031 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -3.184 2.310 -3.215 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -4.442 3.080 -2.220 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -4.000 3.782 -3.794 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.071 4.873 1.072 1.00 1.00 N ATOM 1363 CA TRP A 82 -5.908 3.857 1.788 1.00 1.00 C ATOM 1364 C TRP A 82 -7.166 3.473 1.008 1.00 1.00 C ATOM 1365 O TRP A 82 -7.658 4.206 0.168 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.299 4.380 3.186 1.00 1.00 C ATOM 1367 CG TRP A 82 -7.080 5.669 3.122 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -7.409 6.355 1.997 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -7.634 6.434 4.233 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -8.117 7.486 2.352 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -8.285 7.579 3.717 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -7.633 6.246 5.627 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -8.910 8.504 4.551 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -8.263 7.176 6.471 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -8.900 8.303 5.934 1.00 1.00 C ATOM 0 H TRP A 82 -5.371 5.841 1.188 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.300 2.957 1.884 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.893 3.624 3.700 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.397 4.534 3.778 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.158 6.063 0.988 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -8.473 8.170 1.685 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -7.145 5.381 6.051 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -9.399 9.371 4.131 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -8.256 7.021 7.540 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -9.382 9.015 6.588 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.671 2.296 1.301 1.00 1.00 N ATOM 1387 CA ARG A 83 -8.893 1.767 0.626 1.00 1.00 C ATOM 1388 C ARG A 83 -9.082 0.289 1.014 1.00 1.00 C ATOM 1389 O ARG A 83 -8.329 -0.260 1.810 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.731 1.875 -0.898 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.750 2.871 -1.457 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.991 2.119 -1.948 1.00 1.00 C ATOM 1393 NE ARG A 83 -12.022 2.088 -0.868 1.00 1.00 N ATOM 1394 CZ ARG A 83 -13.203 1.583 -1.107 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -13.409 0.299 -0.957 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -14.180 2.361 -1.494 1.00 1.00 N ATOM 0 H ARG A 83 -7.273 1.667 1.999 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.761 2.347 0.938 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.720 2.199 -1.144 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.874 0.897 -1.359 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.030 3.590 -0.687 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -9.308 3.437 -2.277 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -11.395 2.606 -2.836 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.722 1.103 -2.236 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.804 2.461 0.056 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -12.647 -0.308 -0.653 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -14.331 -0.095 -1.144 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -14.020 3.362 -1.609 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -15.102 1.967 -1.681 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.772 -6.692 0.901 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.286 -6.737 0.712 1.00 1.00 C ATOM 1500 C VAL A 89 -1.939 -7.893 -0.241 1.00 1.00 C ATOM 1501 O VAL A 89 -1.011 -7.801 -1.025 1.00 1.00 O ATOM 1502 CB VAL A 89 -1.595 -6.956 2.071 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -0.074 -6.938 1.891 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -1.994 -5.837 3.042 1.00 1.00 C ATOM 0 HA VAL A 89 -1.940 -5.794 0.288 1.00 1.00 H new ATOM 0 HB VAL A 89 -1.906 -7.921 2.472 1.00 1.00 H new ATOM 0 HG11 VAL A 89 0.408 -7.093 2.856 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.221 -7.733 1.206 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.233 -5.975 1.483 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.503 -5.996 4.002 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.688 -4.874 2.633 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.075 -5.845 3.182 1.00 1.00 H new ATOM 1514 N GLU A 90 -2.688 -8.976 -0.178 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.427 -10.148 -1.073 1.00 1.00 C ATOM 1516 C GLU A 90 -2.630 -9.746 -2.541 1.00 1.00 C ATOM 1517 O GLU A 90 -1.791 -10.017 -3.378 1.00 1.00 O ATOM 1518 CB GLU A 90 -3.394 -11.282 -0.723 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.004 -11.895 0.625 1.00 1.00 C ATOM 1520 CD GLU A 90 -3.965 -13.039 0.966 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -4.985 -12.768 1.578 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -3.663 -14.167 0.609 1.00 1.00 O ATOM 0 H GLU A 90 -3.474 -9.095 0.461 1.00 1.00 H new ATOM 0 HA GLU A 90 -1.399 -10.481 -0.931 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.415 -10.902 -0.679 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -3.371 -12.045 -1.501 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -1.980 -12.266 0.585 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -3.037 -11.134 1.405 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.736 -9.102 -2.856 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.999 -8.674 -4.270 1.00 1.00 C ATOM 1531 C TRP A 91 -2.815 -7.842 -4.779 1.00 1.00 C ATOM 1532 O TRP A 91 -2.271 -8.104 -5.838 1.00 1.00 O ATOM 1533 CB TRP A 91 -5.276 -7.825 -4.318 1.00 1.00 C ATOM 1534 CG TRP A 91 -5.846 -7.802 -5.708 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -5.214 -8.225 -6.831 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -7.157 -7.330 -6.133 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -6.055 -8.041 -7.913 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -7.264 -7.492 -7.535 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -8.252 -6.781 -5.444 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -8.418 -7.124 -8.228 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -9.415 -6.409 -6.138 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -9.498 -6.580 -7.526 1.00 1.00 C ATOM 0 H TRP A 91 -4.468 -8.855 -2.190 1.00 1.00 H new ATOM 0 HA TRP A 91 -4.124 -9.555 -4.900 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -6.013 -8.228 -3.624 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -5.055 -6.808 -3.993 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.217 -8.638 -6.873 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.812 -8.282 -8.874 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -8.199 -6.644 -4.374 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -8.476 -7.258 -9.298 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -10.251 -5.988 -5.598 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -10.395 -6.292 -8.053 1.00 1.00 H new ATOM 1553 N LEU A 92 -2.411 -6.849 -4.022 1.00 1.00 N ATOM 1554 CA LEU A 92 -1.259 -5.993 -4.436 1.00 1.00 C ATOM 1555 C LEU A 92 0.008 -6.854 -4.552 1.00 1.00 C ATOM 1556 O LEU A 92 0.810 -6.667 -5.451 1.00 1.00 O ATOM 1557 CB LEU A 92 -1.036 -4.903 -3.384 1.00 1.00 C ATOM 1558 CG LEU A 92 -2.183 -3.891 -3.425 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -2.622 -3.554 -1.995 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -1.711 -2.614 -4.123 1.00 1.00 C ATOM 0 H LEU A 92 -2.835 -6.595 -3.129 1.00 1.00 H new ATOM 0 HA LEU A 92 -1.475 -5.535 -5.401 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.971 -5.351 -2.393 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -0.088 -4.398 -3.568 1.00 1.00 H new ATOM 0 HG LEU A 92 -3.023 -4.319 -3.973 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.439 -2.833 -2.026 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.958 -4.462 -1.494 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.782 -3.127 -1.448 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -2.528 -1.893 -4.153 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -0.871 -2.189 -3.574 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -1.398 -2.850 -5.140 1.00 1.00 H new ATOM 1572 N LYS A 93 0.187 -7.794 -3.648 1.00 1.00 N ATOM 1573 CA LYS A 93 1.394 -8.681 -3.693 1.00 1.00 C ATOM 1574 C LYS A 93 1.349 -9.558 -4.950 1.00 1.00 C ATOM 1575 O LYS A 93 2.368 -9.805 -5.573 1.00 1.00 O ATOM 1576 CB LYS A 93 1.425 -9.572 -2.448 1.00 1.00 C ATOM 1577 CG LYS A 93 2.151 -8.843 -1.315 1.00 1.00 C ATOM 1578 CD LYS A 93 3.660 -9.061 -1.451 1.00 1.00 C ATOM 1579 CE LYS A 93 4.316 -8.980 -0.071 1.00 1.00 C ATOM 1580 NZ LYS A 93 4.678 -7.564 0.231 1.00 1.00 N ATOM 0 H LYS A 93 -0.455 -7.984 -2.879 1.00 1.00 H new ATOM 0 HA LYS A 93 2.291 -8.062 -3.719 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.409 -9.822 -2.142 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.930 -10.511 -2.673 1.00 1.00 H new ATOM 0 HG2 LYS A 93 1.922 -7.778 -1.349 1.00 1.00 H new ATOM 0 HG3 LYS A 93 1.805 -9.213 -0.350 1.00 1.00 H new ATOM 0 HD2 LYS A 93 3.858 -10.033 -1.903 1.00 1.00 H new ATOM 0 HD3 LYS A 93 4.088 -8.309 -2.113 1.00 1.00 H new ATOM 0 HE2 LYS A 93 3.634 -9.361 0.689 1.00 1.00 H new ATOM 0 HE3 LYS A 93 5.207 -9.607 -0.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 5.352 -7.539 1.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 5.113 -7.130 -0.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 3.821 -7.034 0.489 1.00 1.00 H new ATOM 1594 N ARG A 94 0.174 -10.020 -5.328 1.00 1.00 N ATOM 1595 CA ARG A 94 0.040 -10.876 -6.550 1.00 1.00 C ATOM 1596 C ARG A 94 0.638 -10.128 -7.738 1.00 1.00 C ATOM 1597 O ARG A 94 1.541 -10.603 -8.404 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.449 -11.156 -6.823 1.00 1.00 C ATOM 1599 CG ARG A 94 -1.830 -12.579 -6.399 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.551 -12.779 -4.905 1.00 1.00 C ATOM 1601 NE ARG A 94 -2.821 -13.127 -4.199 1.00 1.00 N ATOM 1602 CZ ARG A 94 -3.438 -14.251 -4.468 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -2.887 -15.395 -4.153 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -4.611 -14.227 -5.049 1.00 1.00 N ATOM 0 H ARG A 94 -0.701 -9.837 -4.837 1.00 1.00 H new ATOM 0 HA ARG A 94 0.562 -11.821 -6.399 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -2.063 -10.436 -6.282 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.659 -11.021 -7.884 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -2.885 -12.758 -6.606 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -1.263 -13.304 -6.983 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -0.817 -13.572 -4.765 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.124 -11.871 -4.480 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.209 -12.487 -3.505 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -1.975 -15.413 -3.697 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -3.370 -16.269 -4.364 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.042 -13.335 -5.291 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -5.094 -15.100 -5.260 1.00 1.00 H new ATOM 1618 N LYS A 95 0.154 -8.940 -7.967 1.00 1.00 N ATOM 1619 CA LYS A 95 0.675 -8.082 -9.066 1.00 1.00 C ATOM 1620 C LYS A 95 2.152 -7.762 -8.806 1.00 1.00 C ATOM 1621 O LYS A 95 2.889 -7.436 -9.718 1.00 1.00 O ATOM 1622 CB LYS A 95 -0.121 -6.772 -9.128 1.00 1.00 C ATOM 1623 CG LYS A 95 -0.922 -6.724 -10.433 1.00 1.00 C ATOM 1624 CD LYS A 95 -1.431 -5.299 -10.677 1.00 1.00 C ATOM 1625 CE LYS A 95 -2.880 -5.175 -10.196 1.00 1.00 C ATOM 1626 NZ LYS A 95 -2.906 -4.957 -8.719 1.00 1.00 N ATOM 0 H LYS A 95 -0.600 -8.518 -7.424 1.00 1.00 H new ATOM 0 HA LYS A 95 0.572 -8.612 -10.013 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -0.793 -6.701 -8.273 1.00 1.00 H new ATOM 0 HB3 LYS A 95 0.556 -5.919 -9.072 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -0.297 -7.044 -11.266 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -1.762 -7.416 -10.380 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -0.801 -4.583 -10.150 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -1.369 -5.058 -11.738 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -3.372 -4.345 -10.704 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -3.435 -6.078 -10.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -3.814 -4.528 -8.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -2.794 -5.869 -8.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -2.128 -4.322 -8.448 1.00 1.00 H new ATOM 1640 N GLY A 96 2.571 -7.798 -7.556 1.00 1.00 N ATOM 1641 CA GLY A 96 3.980 -7.435 -7.218 1.00 1.00 C ATOM 1642 C GLY A 96 4.979 -8.365 -7.908 1.00 1.00 C ATOM 1643 O GLY A 96 5.817 -7.910 -8.666 1.00 1.00 O ATOM 0 H GLY A 96 1.992 -8.064 -6.759 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.173 -6.405 -7.518 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.121 -7.485 -6.138 1.00 1.00 H new ATOM 1647 N TYR A 97 4.908 -9.652 -7.661 1.00 1.00 N ATOM 1648 CA TYR A 97 5.881 -10.581 -8.333 1.00 1.00 C ATOM 1649 C TYR A 97 5.567 -10.689 -9.827 1.00 1.00 C ATOM 1650 O TYR A 97 6.457 -10.747 -10.652 1.00 1.00 O ATOM 1651 CB TYR A 97 5.879 -11.969 -7.682 1.00 1.00 C ATOM 1652 CG TYR A 97 4.481 -12.438 -7.378 1.00 1.00 C ATOM 1653 CD1 TYR A 97 3.724 -13.076 -8.362 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.958 -12.256 -6.096 1.00 1.00 C ATOM 1655 CE1 TYR A 97 2.447 -13.542 -8.061 1.00 1.00 C ATOM 1656 CE2 TYR A 97 2.678 -12.709 -5.796 1.00 1.00 C ATOM 1657 CZ TYR A 97 1.921 -13.359 -6.780 1.00 1.00 C ATOM 1658 OH TYR A 97 0.670 -13.847 -6.480 1.00 1.00 O ATOM 0 H TYR A 97 4.234 -10.095 -7.037 1.00 1.00 H new ATOM 0 HA TYR A 97 6.880 -10.162 -8.211 1.00 1.00 H new ATOM 0 HB2 TYR A 97 6.366 -12.683 -8.346 1.00 1.00 H new ATOM 0 HB3 TYR A 97 6.462 -11.940 -6.761 1.00 1.00 H new ATOM 0 HD1 TYR A 97 4.128 -13.208 -9.355 1.00 1.00 H new ATOM 0 HD2 TYR A 97 4.548 -11.763 -5.337 1.00 1.00 H new ATOM 0 HE1 TYR A 97 1.863 -14.045 -8.818 1.00 1.00 H new ATOM 0 HE2 TYR A 97 2.269 -12.560 -4.808 1.00 1.00 H new ATOM 0 HH TYR A 97 0.753 -14.603 -5.863 1.00 1.00 H new ATOM 1668 N LEU A 98 4.304 -10.726 -10.169 1.00 1.00 N ATOM 1669 CA LEU A 98 3.888 -10.838 -11.598 1.00 1.00 C ATOM 1670 C LEU A 98 4.515 -9.701 -12.427 1.00 1.00 C ATOM 1671 O LEU A 98 5.151 -9.943 -13.437 1.00 1.00 O ATOM 1672 CB LEU A 98 2.360 -10.756 -11.647 1.00 1.00 C ATOM 1673 CG LEU A 98 1.878 -10.530 -13.075 1.00 1.00 C ATOM 1674 CD1 LEU A 98 2.180 -11.768 -13.919 1.00 1.00 C ATOM 1675 CD2 LEU A 98 0.373 -10.281 -13.043 1.00 1.00 C ATOM 0 H LEU A 98 3.531 -10.682 -9.505 1.00 1.00 H new ATOM 0 HA LEU A 98 4.229 -11.783 -12.020 1.00 1.00 H new ATOM 0 HB2 LEU A 98 1.929 -11.677 -11.254 1.00 1.00 H new ATOM 0 HB3 LEU A 98 2.014 -9.943 -11.008 1.00 1.00 H new ATOM 0 HG LEU A 98 2.388 -9.672 -13.513 1.00 1.00 H new ATOM 0 HD11 LEU A 98 1.835 -11.605 -14.940 1.00 1.00 H new ATOM 0 HD12 LEU A 98 3.254 -11.952 -13.924 1.00 1.00 H new ATOM 0 HD13 LEU A 98 1.666 -12.631 -13.496 1.00 1.00 H new ATOM 0 HD21 LEU A 98 0.010 -10.117 -14.057 1.00 1.00 H new ATOM 0 HD22 LEU A 98 -0.130 -11.147 -12.613 1.00 1.00 H new ATOM 0 HD23 LEU A 98 0.163 -9.401 -12.436 1.00 1.00 H new ATOM 1687 N ASP A 99 4.338 -8.471 -12.004 1.00 1.00 N ATOM 1688 CA ASP A 99 4.916 -7.309 -12.752 1.00 1.00 C ATOM 1689 C ASP A 99 6.449 -7.382 -12.721 1.00 1.00 C ATOM 1690 O ASP A 99 7.105 -7.141 -13.719 1.00 1.00 O ATOM 1691 CB ASP A 99 4.454 -6.000 -12.096 1.00 1.00 C ATOM 1692 CG ASP A 99 4.582 -4.842 -13.094 1.00 1.00 C ATOM 1693 OD1 ASP A 99 5.656 -4.266 -13.170 1.00 1.00 O ATOM 1694 OD2 ASP A 99 3.602 -4.548 -13.760 1.00 1.00 O ATOM 0 H ASP A 99 3.813 -8.221 -11.166 1.00 1.00 H new ATOM 0 HA ASP A 99 4.575 -7.341 -13.787 1.00 1.00 H new ATOM 0 HB2 ASP A 99 3.420 -6.094 -11.766 1.00 1.00 H new ATOM 0 HB3 ASP A 99 5.054 -5.796 -11.210 1.00 1.00 H new ATOM 1699 N GLU A 100 7.021 -7.717 -11.585 1.00 1.00 N ATOM 1700 CA GLU A 100 8.511 -7.814 -11.476 1.00 1.00 C ATOM 1701 C GLU A 100 9.027 -8.903 -12.428 1.00 1.00 C ATOM 1702 O GLU A 100 9.985 -8.700 -13.151 1.00 1.00 O ATOM 1703 CB GLU A 100 8.894 -8.172 -10.034 1.00 1.00 C ATOM 1704 CG GLU A 100 10.382 -7.886 -9.804 1.00 1.00 C ATOM 1705 CD GLU A 100 11.152 -9.207 -9.697 1.00 1.00 C ATOM 1706 OE1 GLU A 100 11.272 -9.714 -8.594 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.609 -9.690 -10.721 1.00 1.00 O ATOM 0 H GLU A 100 6.514 -7.928 -10.725 1.00 1.00 H new ATOM 0 HA GLU A 100 8.958 -6.857 -11.745 1.00 1.00 H new ATOM 0 HB2 GLU A 100 8.291 -7.594 -9.334 1.00 1.00 H new ATOM 0 HB3 GLU A 100 8.683 -9.224 -9.843 1.00 1.00 H new ATOM 0 HG2 GLU A 100 10.778 -7.288 -10.625 1.00 1.00 H new ATOM 0 HG3 GLU A 100 10.513 -7.303 -8.893 1.00 1.00 H new