USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=5 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 Set 1.1: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 TYR OH : rot 6:sc= -1.28 USER MOD Single : A 39 CYS SG : rot -18:sc= -16.2! USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.572 (180deg=0.553) 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= -11! C(o=-11!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 81:sc= -14! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 7.586 4.005 -6.114 1.00 1.00 N ATOM 352 CA GLU A 21 6.400 4.026 -5.204 1.00 1.00 C ATOM 353 C GLU A 21 6.270 2.696 -4.450 1.00 1.00 C ATOM 354 O GLU A 21 6.625 1.642 -4.950 1.00 1.00 O ATOM 355 CB GLU A 21 5.129 4.270 -6.025 1.00 1.00 C ATOM 356 CG GLU A 21 4.680 5.727 -5.861 1.00 1.00 C ATOM 357 CD GLU A 21 4.294 5.995 -4.401 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.198 5.621 -4.017 1.00 1.00 O ATOM 359 OE2 GLU A 21 5.100 6.576 -3.693 1.00 1.00 O ATOM 0 HA GLU A 21 6.534 4.828 -4.478 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.317 4.053 -7.077 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.338 3.596 -5.697 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.483 6.400 -6.163 1.00 1.00 H new ATOM 0 HG3 GLU A 21 3.831 5.930 -6.514 1.00 1.00 H new ATOM 366 N ILE A 22 5.748 2.754 -3.249 1.00 1.00 N ATOM 367 CA ILE A 22 5.561 1.529 -2.424 1.00 1.00 C ATOM 368 C ILE A 22 4.050 1.263 -2.307 1.00 1.00 C ATOM 369 O ILE A 22 3.255 2.173 -2.480 1.00 1.00 O ATOM 370 CB ILE A 22 6.181 1.798 -1.042 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.542 1.103 -0.941 1.00 1.00 C ATOM 372 CG2 ILE A 22 5.264 1.284 0.061 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.553 1.818 -1.841 1.00 1.00 C ATOM 0 H ILE A 22 5.439 3.617 -2.801 1.00 1.00 H new ATOM 0 HA ILE A 22 6.040 0.657 -2.868 1.00 1.00 H new ATOM 0 HB ILE A 22 6.310 2.874 -0.921 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.890 1.111 0.092 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.451 0.058 -1.238 1.00 1.00 H new ATOM 0 HG21 ILE A 22 5.717 1.482 1.032 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.301 1.791 -0.001 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.117 0.211 -0.059 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.521 1.322 -1.767 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.207 1.786 -2.874 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.653 2.856 -1.523 1.00 1.00 H new ATOM 385 N LEU A 23 3.629 0.049 -2.012 1.00 1.00 N ATOM 386 CA LEU A 23 2.124 -0.185 -1.899 1.00 1.00 C ATOM 387 C LEU A 23 1.835 -0.921 -0.593 1.00 1.00 C ATOM 388 O LEU A 23 2.454 -1.930 -0.337 1.00 1.00 O ATOM 389 CB LEU A 23 1.622 -1.016 -3.092 1.00 1.00 C ATOM 390 CG LEU A 23 2.557 -0.864 -4.301 1.00 1.00 C ATOM 391 CD1 LEU A 23 2.378 -2.058 -5.242 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.223 0.428 -5.055 1.00 1.00 C ATOM 0 H LEU A 23 4.223 -0.764 -1.849 1.00 1.00 H new ATOM 0 HA LEU A 23 1.606 0.774 -1.905 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.558 -2.066 -2.807 1.00 1.00 H new ATOM 0 HB3 LEU A 23 0.616 -0.698 -3.364 1.00 1.00 H new ATOM 0 HG LEU A 23 3.589 -0.825 -3.952 1.00 1.00 H new ATOM 0 HD11 LEU A 23 3.042 -1.948 -6.099 1.00 1.00 H new ATOM 0 HD12 LEU A 23 2.619 -2.979 -4.711 1.00 1.00 H new ATOM 0 HD13 LEU A 23 1.345 -2.098 -5.586 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.889 0.532 -5.912 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.190 0.391 -5.401 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.353 1.281 -4.390 1.00 1.00 H new ATOM 404 N GLY A 24 0.948 -0.453 0.271 1.00 1.00 N ATOM 405 CA GLY A 24 0.769 -1.203 1.556 1.00 1.00 C ATOM 406 C GLY A 24 -0.675 -1.262 2.051 1.00 1.00 C ATOM 407 O GLY A 24 -1.522 -0.463 1.690 1.00 1.00 O ATOM 0 H GLY A 24 0.368 0.377 0.146 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.138 -2.220 1.424 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.386 -0.737 2.324 1.00 1.00 H new ATOM 411 N ILE A 25 -0.921 -2.201 2.937 1.00 1.00 N ATOM 412 CA ILE A 25 -2.265 -2.351 3.559 1.00 1.00 C ATOM 413 C ILE A 25 -2.202 -1.652 4.918 1.00 1.00 C ATOM 414 O ILE A 25 -1.223 -1.782 5.645 1.00 1.00 O ATOM 415 CB ILE A 25 -2.602 -3.844 3.728 1.00 1.00 C ATOM 416 CG1 ILE A 25 -4.027 -3.998 4.297 1.00 1.00 C ATOM 417 CG2 ILE A 25 -1.583 -4.525 4.654 1.00 1.00 C ATOM 418 CD1 ILE A 25 -4.005 -4.000 5.833 1.00 1.00 C ATOM 0 H ILE A 25 -0.229 -2.879 3.257 1.00 1.00 H new ATOM 0 HA ILE A 25 -3.043 -1.909 2.936 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.555 -4.327 2.752 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -4.656 -3.183 3.939 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.470 -4.926 3.934 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -1.837 -5.579 4.762 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -0.585 -4.434 4.226 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.603 -4.045 5.633 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -5.021 -4.110 6.211 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -3.394 -4.831 6.187 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.584 -3.061 6.192 1.00 1.00 H new ATOM 430 N ILE A 26 -3.206 -0.871 5.245 1.00 1.00 N ATOM 431 CA ILE A 26 -3.171 -0.113 6.530 1.00 1.00 C ATOM 432 C ILE A 26 -4.083 -0.721 7.597 1.00 1.00 C ATOM 433 O ILE A 26 -5.097 -1.344 7.317 1.00 1.00 O ATOM 434 CB ILE A 26 -3.589 1.343 6.271 1.00 1.00 C ATOM 435 CG1 ILE A 26 -3.146 2.233 7.434 1.00 1.00 C ATOM 436 CG2 ILE A 26 -5.108 1.425 6.144 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.623 2.363 7.440 1.00 1.00 C ATOM 0 H ILE A 26 -4.042 -0.729 4.679 1.00 1.00 H new ATOM 0 HA ILE A 26 -2.151 -0.161 6.910 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.116 1.683 5.350 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -3.603 3.218 7.344 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -3.487 1.809 8.378 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -5.403 2.458 5.960 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -5.438 0.801 5.314 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -5.570 1.075 7.067 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.315 2.998 8.271 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.174 1.376 7.552 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.292 2.808 6.501 1.00 1.00 H new ATOM 449 N GLU A 27 -3.700 -0.489 8.825 1.00 1.00 N ATOM 450 CA GLU A 27 -4.468 -0.968 10.008 1.00 1.00 C ATOM 451 C GLU A 27 -4.415 0.125 11.088 1.00 1.00 C ATOM 452 O GLU A 27 -3.402 0.799 11.256 1.00 1.00 O ATOM 453 CB GLU A 27 -3.852 -2.271 10.547 1.00 1.00 C ATOM 454 CG GLU A 27 -2.323 -2.148 10.613 1.00 1.00 C ATOM 455 CD GLU A 27 -1.687 -3.066 9.563 1.00 1.00 C ATOM 456 OE1 GLU A 27 -1.595 -2.653 8.417 1.00 1.00 O ATOM 457 OE2 GLU A 27 -1.299 -4.166 9.921 1.00 1.00 O ATOM 0 H GLU A 27 -2.856 0.032 9.062 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.502 -1.170 9.727 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -4.250 -2.487 11.539 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -4.129 -3.106 9.904 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -2.023 -1.115 10.437 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -1.969 -2.417 11.608 1.00 1.00 H new ATOM 545 N ARG A 34 -2.653 8.941 12.859 1.00 1.00 N ATOM 546 CA ARG A 34 -1.607 8.211 12.073 1.00 1.00 C ATOM 547 C ARG A 34 -1.988 6.724 11.967 1.00 1.00 C ATOM 548 O ARG A 34 -2.784 6.219 12.742 1.00 1.00 O ATOM 549 CB ARG A 34 -0.243 8.347 12.768 1.00 1.00 C ATOM 550 CG ARG A 34 -0.328 7.819 14.205 1.00 1.00 C ATOM 551 CD ARG A 34 0.599 8.640 15.106 1.00 1.00 C ATOM 552 NE ARG A 34 1.594 7.738 15.753 1.00 1.00 N ATOM 553 CZ ARG A 34 2.793 7.615 15.247 1.00 1.00 C ATOM 554 NH1 ARG A 34 3.738 8.450 15.598 1.00 1.00 N ATOM 555 NH2 ARG A 34 3.048 6.659 14.391 1.00 1.00 N ATOM 0 HA ARG A 34 -1.543 8.641 11.073 1.00 1.00 H new ATOM 0 HB2 ARG A 34 0.513 7.792 12.213 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.068 9.392 12.774 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.354 7.882 14.567 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.044 6.767 14.235 1.00 1.00 H new ATOM 0 HD2 ARG A 34 1.112 9.402 14.519 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.017 9.161 15.866 1.00 1.00 H new ATOM 0 HE ARG A 34 1.339 7.216 16.591 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.538 9.195 16.265 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.674 8.356 15.204 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.311 6.009 14.118 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.984 6.564 13.997 1.00 1.00 H new ATOM 569 N VAL A 35 -1.426 6.027 11.011 1.00 1.00 N ATOM 570 CA VAL A 35 -1.738 4.572 10.827 1.00 1.00 C ATOM 571 C VAL A 35 -0.463 3.794 10.540 1.00 1.00 C ATOM 572 O VAL A 35 0.591 4.357 10.296 1.00 1.00 O ATOM 573 CB VAL A 35 -2.717 4.339 9.687 1.00 1.00 C ATOM 574 CG1 VAL A 35 -4.113 4.766 10.115 1.00 1.00 C ATOM 575 CG2 VAL A 35 -2.267 5.124 8.467 1.00 1.00 C ATOM 0 H VAL A 35 -0.757 6.407 10.342 1.00 1.00 H new ATOM 0 HA VAL A 35 -2.195 4.225 11.754 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.742 3.279 9.433 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.812 4.598 9.296 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -4.422 4.182 10.982 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -4.106 5.825 10.374 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.968 4.958 7.649 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -2.237 6.186 8.709 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -1.273 4.792 8.167 1.00 1.00 H new ATOM 585 N ARG A 36 -0.561 2.500 10.590 1.00 1.00 N ATOM 586 CA ARG A 36 0.650 1.636 10.342 1.00 1.00 C ATOM 587 C ARG A 36 0.423 0.716 9.133 1.00 1.00 C ATOM 588 O ARG A 36 -0.521 -0.054 9.099 1.00 1.00 O ATOM 589 CB ARG A 36 0.972 0.783 11.583 1.00 1.00 C ATOM 590 CG ARG A 36 -0.179 0.840 12.597 1.00 1.00 C ATOM 591 CD ARG A 36 0.162 -0.026 13.811 1.00 1.00 C ATOM 592 NE ARG A 36 -1.097 -0.445 14.489 1.00 1.00 N ATOM 593 CZ ARG A 36 -1.316 -0.107 15.732 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.838 1.059 16.009 1.00 1.00 N ATOM 595 NH2 ARG A 36 -1.011 -0.936 16.696 1.00 1.00 N ATOM 0 H ARG A 36 -1.422 1.991 10.791 1.00 1.00 H new ATOM 0 HA ARG A 36 1.493 2.295 10.134 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.148 -0.250 11.284 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.890 1.141 12.048 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.351 1.870 12.909 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.102 0.489 12.135 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.729 -0.903 13.498 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.793 0.531 14.503 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.789 -0.997 13.982 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -2.074 1.704 15.255 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.009 1.324 16.979 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -0.603 -1.845 16.477 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -1.181 -0.674 17.667 1.00 1.00 H new ATOM 609 N VAL A 37 1.281 0.808 8.134 1.00 1.00 N ATOM 610 CA VAL A 37 1.134 -0.028 6.919 1.00 1.00 C ATOM 611 C VAL A 37 2.363 -0.905 6.682 1.00 1.00 C ATOM 612 O VAL A 37 3.511 -0.519 6.900 1.00 1.00 O ATOM 613 CB VAL A 37 0.972 0.895 5.706 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.855 0.454 4.535 1.00 1.00 C ATOM 615 CG2 VAL A 37 -0.469 0.910 5.256 1.00 1.00 C ATOM 0 H VAL A 37 2.082 1.439 8.122 1.00 1.00 H new ATOM 0 HA VAL A 37 0.266 -0.673 7.057 1.00 1.00 H new ATOM 0 HB VAL A 37 1.281 1.894 6.014 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.711 1.134 3.695 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.901 0.472 4.841 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.582 -0.557 4.234 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -0.574 1.569 4.394 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -0.775 -0.099 4.981 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -1.100 1.272 6.068 1.00 1.00 H new ATOM 625 N ARG A 38 2.089 -2.038 6.108 1.00 1.00 N ATOM 626 CA ARG A 38 3.161 -2.984 5.670 1.00 1.00 C ATOM 627 C ARG A 38 3.110 -2.916 4.149 1.00 1.00 C ATOM 628 O ARG A 38 2.035 -2.781 3.584 1.00 1.00 O ATOM 629 CB ARG A 38 2.895 -4.414 6.147 1.00 1.00 C ATOM 630 CG ARG A 38 1.406 -4.761 6.012 1.00 1.00 C ATOM 631 CD ARG A 38 1.100 -6.033 6.804 1.00 1.00 C ATOM 632 NE ARG A 38 0.814 -5.680 8.223 1.00 1.00 N ATOM 633 CZ ARG A 38 0.611 -6.624 9.103 1.00 1.00 C ATOM 634 NH1 ARG A 38 -0.547 -7.231 9.156 1.00 1.00 N ATOM 635 NH2 ARG A 38 1.568 -6.964 9.929 1.00 1.00 N ATOM 0 H ARG A 38 1.141 -2.362 5.916 1.00 1.00 H new ATOM 0 HA ARG A 38 4.132 -2.714 6.084 1.00 1.00 H new ATOM 0 HB2 ARG A 38 3.492 -5.115 5.563 1.00 1.00 H new ATOM 0 HB3 ARG A 38 3.206 -4.520 7.186 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.796 -3.936 6.380 1.00 1.00 H new ATOM 0 HG3 ARG A 38 1.150 -4.904 4.962 1.00 1.00 H new ATOM 0 HD2 ARG A 38 0.245 -6.549 6.367 1.00 1.00 H new ATOM 0 HD3 ARG A 38 1.946 -6.718 6.752 1.00 1.00 H new ATOM 0 HE ARG A 38 0.777 -4.701 8.507 1.00 1.00 H new ATOM 0 HH11 ARG A 38 -1.291 -6.967 8.510 1.00 1.00 H new ATOM 0 HH12 ARG A 38 -0.705 -7.968 9.843 1.00 1.00 H new ATOM 0 HH21 ARG A 38 2.471 -6.492 9.885 1.00 1.00 H new ATOM 0 HH22 ARG A 38 1.410 -7.701 10.616 1.00 1.00 H new ATOM 649 N CYS A 39 4.221 -2.916 3.469 1.00 1.00 N ATOM 650 CA CYS A 39 4.120 -2.734 1.992 1.00 1.00 C ATOM 651 C CYS A 39 5.086 -3.576 1.152 1.00 1.00 C ATOM 652 O CYS A 39 6.125 -4.052 1.594 1.00 1.00 O ATOM 653 CB CYS A 39 4.367 -1.257 1.688 1.00 1.00 C ATOM 654 SG CYS A 39 6.142 -0.963 1.564 1.00 1.00 S ATOM 0 H CYS A 39 5.160 -3.029 3.850 1.00 1.00 H new ATOM 0 HA CYS A 39 3.124 -3.076 1.710 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.875 -0.978 0.756 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.938 -0.635 2.474 1.00 1.00 H new ATOM 0 HG CYS A 39 6.785 -1.949 2.116 1.00 1.00 H new ATOM 660 N LEU A 40 4.726 -3.662 -0.109 1.00 1.00 N ATOM 661 CA LEU A 40 5.498 -4.356 -1.138 1.00 1.00 C ATOM 662 C LEU A 40 6.450 -3.313 -1.723 1.00 1.00 C ATOM 663 O LEU A 40 6.368 -2.120 -1.381 1.00 1.00 O ATOM 664 CB LEU A 40 4.509 -4.843 -2.197 1.00 1.00 C ATOM 665 CG LEU A 40 5.222 -5.469 -3.391 1.00 1.00 C ATOM 666 CD1 LEU A 40 5.837 -6.802 -2.974 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.203 -5.696 -4.506 1.00 1.00 C ATOM 0 H LEU A 40 3.867 -3.243 -0.465 1.00 1.00 H new ATOM 0 HA LEU A 40 6.060 -5.210 -0.760 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.832 -5.573 -1.754 1.00 1.00 H new ATOM 0 HB3 LEU A 40 3.898 -4.006 -2.536 1.00 1.00 H new ATOM 0 HG LEU A 40 6.013 -4.808 -3.744 1.00 1.00 H new ATOM 0 HD11 LEU A 40 6.347 -7.250 -3.827 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.553 -6.636 -2.169 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.051 -7.473 -2.628 1.00 1.00 H new ATOM 0 HD21 LEU A 40 4.699 -6.144 -5.367 1.00 1.00 H new ATOM 0 HD22 LEU A 40 3.418 -6.365 -4.151 1.00 1.00 H new ATOM 0 HD23 LEU A 40 3.763 -4.742 -4.796 1.00 1.00 H new ATOM 679 N ASP A 41 7.386 -3.781 -2.519 1.00 1.00 N ATOM 680 CA ASP A 41 8.497 -2.938 -3.035 1.00 1.00 C ATOM 681 C ASP A 41 9.496 -2.848 -1.856 1.00 1.00 C ATOM 682 O ASP A 41 10.326 -1.961 -1.769 1.00 1.00 O ATOM 683 CB ASP A 41 8.016 -1.533 -3.449 1.00 1.00 C ATOM 684 CG ASP A 41 7.002 -1.642 -4.594 1.00 1.00 C ATOM 685 OD1 ASP A 41 7.431 -1.719 -5.735 1.00 1.00 O ATOM 686 OD2 ASP A 41 5.815 -1.640 -4.311 1.00 1.00 O ATOM 0 H ASP A 41 7.419 -4.749 -2.839 1.00 1.00 H new ATOM 0 HA ASP A 41 8.939 -3.368 -3.933 1.00 1.00 H new ATOM 0 HB2 ASP A 41 7.561 -1.029 -2.596 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.866 -0.926 -3.761 1.00 1.00 H new ATOM 691 N GLY A 42 9.424 -3.860 -0.982 1.00 1.00 N ATOM 692 CA GLY A 42 10.344 -4.007 0.191 1.00 1.00 C ATOM 693 C GLY A 42 10.289 -2.827 1.157 1.00 1.00 C ATOM 694 O GLY A 42 11.308 -2.209 1.409 1.00 1.00 O ATOM 0 H GLY A 42 8.733 -4.607 -1.053 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.090 -4.920 0.730 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.366 -4.124 -0.171 1.00 1.00 H new ATOM 698 N LYS A 43 9.144 -2.502 1.727 1.00 1.00 N ATOM 699 CA LYS A 43 9.144 -1.355 2.687 1.00 1.00 C ATOM 700 C LYS A 43 8.171 -1.553 3.858 1.00 1.00 C ATOM 701 O LYS A 43 7.182 -2.257 3.772 1.00 1.00 O ATOM 702 CB LYS A 43 8.805 -0.066 1.945 1.00 1.00 C ATOM 703 CG LYS A 43 10.036 0.843 1.915 1.00 1.00 C ATOM 704 CD LYS A 43 10.675 0.800 0.525 1.00 1.00 C ATOM 705 CE LYS A 43 12.196 0.924 0.653 1.00 1.00 C ATOM 706 NZ LYS A 43 12.857 -0.195 -0.081 1.00 1.00 N ATOM 0 H LYS A 43 8.247 -2.963 1.575 1.00 1.00 H new ATOM 0 HA LYS A 43 10.145 -1.296 3.114 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.482 -0.293 0.929 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.976 0.442 2.437 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.751 1.865 2.163 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.756 0.521 2.667 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.417 -0.133 0.024 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.285 1.610 -0.091 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.527 1.881 0.251 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.485 0.903 1.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.882 -0.166 0.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.475 -1.103 0.253 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 12.675 -0.097 -1.100 1.00 1.00 H new ATOM 720 N THR A 44 8.454 -0.872 4.939 1.00 1.00 N ATOM 721 CA THR A 44 7.582 -0.898 6.158 1.00 1.00 C ATOM 722 C THR A 44 7.588 0.528 6.719 1.00 1.00 C ATOM 723 O THR A 44 8.646 1.094 6.997 1.00 1.00 O ATOM 724 CB THR A 44 8.103 -1.885 7.212 1.00 1.00 C ATOM 725 OG1 THR A 44 9.039 -2.786 6.631 1.00 1.00 O ATOM 726 CG2 THR A 44 6.922 -2.668 7.782 1.00 1.00 C ATOM 0 H THR A 44 9.279 -0.280 5.032 1.00 1.00 H new ATOM 0 HA THR A 44 6.577 -1.229 5.898 1.00 1.00 H new ATOM 0 HB THR A 44 8.604 -1.332 8.006 1.00 1.00 H new ATOM 0 HG1 THR A 44 9.363 -3.408 7.316 1.00 1.00 H new ATOM 0 HG21 THR A 44 7.281 -3.373 8.532 1.00 1.00 H new ATOM 0 HG22 THR A 44 6.215 -1.977 8.242 1.00 1.00 H new ATOM 0 HG23 THR A 44 6.426 -3.214 6.979 1.00 1.00 H new ATOM 734 N ARG A 45 6.434 1.152 6.820 1.00 1.00 N ATOM 735 CA ARG A 45 6.439 2.575 7.285 1.00 1.00 C ATOM 736 C ARG A 45 5.237 2.964 8.143 1.00 1.00 C ATOM 737 O ARG A 45 4.184 2.352 8.108 1.00 1.00 O ATOM 738 CB ARG A 45 6.475 3.516 6.066 1.00 1.00 C ATOM 739 CG ARG A 45 5.846 2.857 4.825 1.00 1.00 C ATOM 740 CD ARG A 45 4.368 2.516 5.063 1.00 1.00 C ATOM 741 NE ARG A 45 3.659 3.665 5.693 1.00 1.00 N ATOM 742 CZ ARG A 45 2.366 3.620 5.845 1.00 1.00 C ATOM 743 NH1 ARG A 45 1.584 3.625 4.801 1.00 1.00 N ATOM 744 NH2 ARG A 45 1.856 3.522 7.040 1.00 1.00 N ATOM 0 H ARG A 45 5.520 0.753 6.608 1.00 1.00 H new ATOM 0 HA ARG A 45 7.327 2.673 7.910 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.941 4.437 6.300 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.507 3.792 5.849 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.934 3.528 3.971 1.00 1.00 H new ATOM 0 HG3 ARG A 45 6.395 1.949 4.575 1.00 1.00 H new ATOM 0 HD2 ARG A 45 3.891 2.262 4.116 1.00 1.00 H new ATOM 0 HD3 ARG A 45 4.291 1.638 5.704 1.00 1.00 H new ATOM 0 HE ARG A 45 4.183 4.483 6.004 1.00 1.00 H new ATOM 0 HH11 ARG A 45 1.985 3.664 3.864 1.00 1.00 H new ATOM 0 HH12 ARG A 45 0.572 3.590 4.922 1.00 1.00 H new ATOM 0 HH21 ARG A 45 2.469 3.481 7.854 1.00 1.00 H new ATOM 0 HH22 ARG A 45 0.844 3.487 7.161 1.00 1.00 H new ATOM 758 N LEU A 46 5.393 4.071 8.831 1.00 1.00 N ATOM 759 CA LEU A 46 4.272 4.663 9.623 1.00 1.00 C ATOM 760 C LEU A 46 3.722 5.756 8.701 1.00 1.00 C ATOM 761 O LEU A 46 4.480 6.565 8.188 1.00 1.00 O ATOM 762 CB LEU A 46 4.770 5.264 10.954 1.00 1.00 C ATOM 763 CG LEU A 46 6.123 5.964 10.766 1.00 1.00 C ATOM 764 CD1 LEU A 46 6.182 7.209 11.655 1.00 1.00 C ATOM 765 CD2 LEU A 46 7.250 5.003 11.162 1.00 1.00 C ATOM 0 H LEU A 46 6.266 4.597 8.876 1.00 1.00 H new ATOM 0 HA LEU A 46 3.524 3.922 9.905 1.00 1.00 H new ATOM 0 HB2 LEU A 46 4.037 5.976 11.333 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.864 4.476 11.701 1.00 1.00 H new ATOM 0 HG LEU A 46 6.240 6.257 9.723 1.00 1.00 H new ATOM 0 HD11 LEU A 46 7.143 7.706 11.522 1.00 1.00 H new ATOM 0 HD12 LEU A 46 5.379 7.892 11.379 1.00 1.00 H new ATOM 0 HD13 LEU A 46 6.067 6.917 12.699 1.00 1.00 H new ATOM 0 HD21 LEU A 46 8.213 5.497 11.030 1.00 1.00 H new ATOM 0 HD22 LEU A 46 7.131 4.713 12.206 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.209 4.114 10.532 1.00 1.00 H new ATOM 777 N GLY A 47 2.453 5.740 8.391 1.00 1.00 N ATOM 778 CA GLY A 47 1.926 6.719 7.393 1.00 1.00 C ATOM 779 C GLY A 47 1.116 7.843 8.017 1.00 1.00 C ATOM 780 O GLY A 47 0.595 7.740 9.114 1.00 1.00 O ATOM 0 H GLY A 47 1.763 5.098 8.781 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.762 7.148 6.840 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.303 6.191 6.671 1.00 1.00 H new ATOM 784 N ARG A 48 0.992 8.915 7.270 1.00 1.00 N ATOM 785 CA ARG A 48 0.202 10.088 7.721 1.00 1.00 C ATOM 786 C ARG A 48 -0.866 10.393 6.670 1.00 1.00 C ATOM 787 O ARG A 48 -0.648 10.231 5.477 1.00 1.00 O ATOM 788 CB ARG A 48 1.111 11.306 7.915 1.00 1.00 C ATOM 789 CG ARG A 48 1.898 11.592 6.627 1.00 1.00 C ATOM 790 CD ARG A 48 2.512 12.996 6.690 1.00 1.00 C ATOM 791 NE ARG A 48 1.434 14.015 6.866 1.00 1.00 N ATOM 792 CZ ARG A 48 0.587 14.250 5.898 1.00 1.00 C ATOM 793 NH1 ARG A 48 0.953 14.973 4.871 1.00 1.00 N ATOM 794 NH2 ARG A 48 -0.627 13.767 5.961 1.00 1.00 N ATOM 0 H ARG A 48 1.417 9.021 6.349 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.270 9.862 8.677 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.512 12.176 8.185 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.801 11.126 8.739 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.684 10.848 6.498 1.00 1.00 H new ATOM 0 HG3 ARG A 48 1.239 11.513 5.763 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.220 13.056 7.517 1.00 1.00 H new ATOM 0 HD3 ARG A 48 3.071 13.199 5.777 1.00 1.00 H new ATOM 0 HE ARG A 48 1.358 14.529 7.744 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.899 15.353 4.826 1.00 1.00 H new ATOM 0 HH12 ARG A 48 0.293 15.157 4.115 1.00 1.00 H new ATOM 0 HH21 ARG A 48 -0.912 13.208 6.765 1.00 1.00 H new ATOM 0 HH22 ARG A 48 -1.288 13.950 5.206 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.654 -1.608 5.172 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.978 -0.708 4.015 1.00 1.00 C ATOM 1058 C ASP A 63 -6.834 -0.763 2.991 1.00 1.00 C ATOM 1059 O ASP A 63 -5.722 -1.139 3.325 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.145 0.725 4.530 1.00 1.00 C ATOM 1061 CG ASP A 63 -8.892 1.566 3.493 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.112 1.594 3.547 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -8.232 2.173 2.666 1.00 1.00 O ATOM 0 HA ASP A 63 -8.902 -1.034 3.537 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -8.694 0.721 5.472 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.168 1.164 4.732 1.00 1.00 H new ATOM 1068 N VAL A 64 -7.075 -0.373 1.751 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.960 -0.400 0.750 1.00 1.00 C ATOM 1070 C VAL A 64 -5.451 1.022 0.567 1.00 1.00 C ATOM 1071 O VAL A 64 -6.217 1.942 0.327 1.00 1.00 O ATOM 1072 CB VAL A 64 -6.410 -0.987 -0.606 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -7.845 -0.595 -0.929 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -5.491 -0.472 -1.724 1.00 1.00 C ATOM 0 H VAL A 64 -7.975 -0.046 1.401 1.00 1.00 H new ATOM 0 HA VAL A 64 -5.167 -1.048 1.124 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.351 -2.073 -0.537 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.132 -1.023 -1.889 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.509 -0.971 -0.151 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -7.923 0.491 -0.978 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -5.811 -0.888 -2.679 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -5.544 0.616 -1.766 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -4.465 -0.778 -1.521 1.00 1.00 H new ATOM 1084 N VAL A 65 -4.162 1.211 0.689 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.600 2.573 0.535 1.00 1.00 C ATOM 1086 C VAL A 65 -2.282 2.497 -0.227 1.00 1.00 C ATOM 1087 O VAL A 65 -1.525 1.550 -0.095 1.00 1.00 O ATOM 1088 CB VAL A 65 -3.361 3.197 1.924 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.654 3.163 2.744 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.279 2.412 2.675 1.00 1.00 C ATOM 0 H VAL A 65 -3.481 0.478 0.888 1.00 1.00 H new ATOM 0 HA VAL A 65 -4.304 3.193 -0.020 1.00 1.00 H new ATOM 0 HB VAL A 65 -3.038 4.229 1.788 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.475 3.606 3.724 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -5.428 3.729 2.226 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.980 2.130 2.867 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -2.118 2.861 3.655 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.599 1.377 2.798 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.349 2.439 2.106 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.979 3.515 -0.980 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.675 3.537 -1.709 1.00 1.00 C ATOM 1102 C ILE A 66 0.245 4.404 -0.841 1.00 1.00 C ATOM 1103 O ILE A 66 -0.216 5.353 -0.222 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.855 4.150 -3.110 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.455 4.020 -3.897 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.238 5.631 -2.999 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.162 3.499 -5.306 1.00 1.00 C ATOM 0 H ILE A 66 -2.573 4.332 -1.124 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.265 2.539 -1.861 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.652 3.617 -3.628 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.954 4.987 -3.953 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.134 3.341 -3.382 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.362 6.051 -3.997 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -2.174 5.725 -2.448 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.451 6.172 -2.473 1.00 1.00 H new ATOM 0 HD11 ILE A 66 1.095 3.408 -5.862 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.318 2.522 -5.240 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -0.500 4.195 -5.821 1.00 1.00 H new ATOM 1119 N VAL A 67 1.505 4.070 -0.713 1.00 1.00 N ATOM 1120 CA VAL A 67 2.369 4.870 0.212 1.00 1.00 C ATOM 1121 C VAL A 67 3.582 5.501 -0.477 1.00 1.00 C ATOM 1122 O VAL A 67 4.174 4.954 -1.396 1.00 1.00 O ATOM 1123 CB VAL A 67 2.837 3.975 1.393 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.232 2.569 1.282 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.368 3.853 1.421 1.00 1.00 C ATOM 0 H VAL A 67 1.965 3.298 -1.195 1.00 1.00 H new ATOM 0 HA VAL A 67 1.758 5.696 0.576 1.00 1.00 H new ATOM 0 HB VAL A 67 2.496 4.449 2.313 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.573 1.959 2.119 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.144 2.638 1.303 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.549 2.110 0.346 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.667 3.221 2.257 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.715 3.408 0.488 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.810 4.843 1.537 1.00 1.00 H new ATOM 1135 N LYS A 68 3.970 6.642 0.043 1.00 1.00 N ATOM 1136 CA LYS A 68 5.167 7.371 -0.445 1.00 1.00 C ATOM 1137 C LYS A 68 6.277 7.106 0.562 1.00 1.00 C ATOM 1138 O LYS A 68 6.000 7.035 1.743 1.00 1.00 O ATOM 1139 CB LYS A 68 4.875 8.865 -0.534 1.00 1.00 C ATOM 1140 CG LYS A 68 5.233 9.379 -1.931 1.00 1.00 C ATOM 1141 CD LYS A 68 6.193 10.568 -1.816 1.00 1.00 C ATOM 1142 CE LYS A 68 7.127 10.588 -3.030 1.00 1.00 C ATOM 1143 NZ LYS A 68 7.777 11.926 -3.144 1.00 1.00 N ATOM 0 H LYS A 68 3.484 7.106 0.811 1.00 1.00 H new ATOM 0 HA LYS A 68 5.454 7.035 -1.441 1.00 1.00 H new ATOM 0 HB2 LYS A 68 3.822 9.052 -0.326 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.449 9.403 0.220 1.00 1.00 H new ATOM 0 HG2 LYS A 68 5.694 8.582 -2.514 1.00 1.00 H new ATOM 0 HG3 LYS A 68 4.329 9.680 -2.461 1.00 1.00 H new ATOM 0 HD2 LYS A 68 5.630 11.500 -1.761 1.00 1.00 H new ATOM 0 HD3 LYS A 68 6.775 10.492 -0.897 1.00 1.00 H new ATOM 0 HE2 LYS A 68 7.886 9.812 -2.930 1.00 1.00 H new ATOM 0 HE3 LYS A 68 6.564 10.368 -3.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 8.410 11.935 -3.969 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 7.047 12.658 -3.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 8.328 12.119 -2.283 1.00 1.00 H new ATOM 1157 N PRO A 69 7.485 6.928 0.082 1.00 1.00 N ATOM 1158 CA PRO A 69 8.628 6.594 0.950 1.00 1.00 C ATOM 1159 C PRO A 69 9.349 7.831 1.506 1.00 1.00 C ATOM 1160 O PRO A 69 9.590 8.810 0.821 1.00 1.00 O ATOM 1161 CB PRO A 69 9.564 5.852 -0.001 1.00 1.00 C ATOM 1162 CG PRO A 69 9.202 6.324 -1.437 1.00 1.00 C ATOM 1163 CD PRO A 69 7.819 6.997 -1.353 1.00 1.00 C ATOM 0 HA PRO A 69 8.311 6.030 1.827 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.606 6.074 0.229 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.439 4.773 0.095 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.949 7.023 -1.813 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.179 5.480 -2.126 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.852 8.027 -1.708 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.081 6.474 -1.962 1.00 1.00 H new ATOM 1171 N TRP A 70 9.680 7.750 2.778 1.00 1.00 N ATOM 1172 CA TRP A 70 10.382 8.848 3.509 1.00 1.00 C ATOM 1173 C TRP A 70 11.733 8.283 3.964 1.00 1.00 C ATOM 1174 O TRP A 70 11.733 7.349 4.766 1.00 1.00 O ATOM 1175 CB TRP A 70 9.664 9.202 4.807 1.00 1.00 C ATOM 1176 CG TRP A 70 8.447 9.895 4.513 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.636 9.563 3.524 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.865 11.011 5.201 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.591 10.387 3.542 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.670 11.314 4.555 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.253 11.783 6.309 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.868 12.345 4.976 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.444 12.837 6.746 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.244 13.120 6.078 1.00 1.00 C ATOM 0 H TRP A 70 9.482 6.933 3.356 1.00 1.00 H new ATOM 0 HA TRP A 70 10.441 9.716 2.853 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.450 8.296 5.374 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.306 9.824 5.431 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.794 8.759 2.820 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.818 10.337 2.879 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.177 11.562 6.824 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.946 12.558 4.456 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 7.743 13.432 7.596 1.00 1.00 H new ATOM 0 HH2 TRP A 70 5.614 13.931 6.412 1.00 1.00 H new ATOM 1262 N GLN A 76 10.998 3.454 7.543 1.00 1.00 N ATOM 1263 CA GLN A 76 10.665 4.683 6.764 1.00 1.00 C ATOM 1264 C GLN A 76 9.308 5.287 7.140 1.00 1.00 C ATOM 1265 O GLN A 76 8.425 4.638 7.678 1.00 1.00 O ATOM 1266 CB GLN A 76 10.702 4.356 5.265 1.00 1.00 C ATOM 1267 CG GLN A 76 9.643 3.302 4.920 1.00 1.00 C ATOM 1268 CD GLN A 76 8.767 3.804 3.766 1.00 1.00 C ATOM 1269 OE1 GLN A 76 8.728 4.983 3.482 1.00 1.00 O ATOM 1270 NE2 GLN A 76 8.047 2.954 3.091 1.00 1.00 N ATOM 0 HA GLN A 76 11.414 5.436 7.010 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.525 5.262 4.685 1.00 1.00 H new ATOM 0 HB3 GLN A 76 11.691 3.990 4.991 1.00 1.00 H new ATOM 0 HG2 GLN A 76 10.126 2.366 4.641 1.00 1.00 H new ATOM 0 HG3 GLN A 76 9.025 3.094 5.794 1.00 1.00 H new ATOM 0 HE21 GLN A 76 8.076 1.962 3.325 1.00 1.00 H new ATOM 0 HE22 GLN A 76 7.454 3.281 2.328 1.00 1.00 H new ATOM 1279 N LYS A 77 9.154 6.547 6.812 1.00 1.00 N ATOM 1280 CA LYS A 77 7.864 7.272 7.066 1.00 1.00 C ATOM 1281 C LYS A 77 7.129 7.311 5.742 1.00 1.00 C ATOM 1282 O LYS A 77 7.733 7.111 4.714 1.00 1.00 O ATOM 1283 CB LYS A 77 8.146 8.697 7.556 1.00 1.00 C ATOM 1284 CG LYS A 77 8.341 8.694 9.075 1.00 1.00 C ATOM 1285 CD LYS A 77 9.803 9.009 9.407 1.00 1.00 C ATOM 1286 CE LYS A 77 9.940 10.493 9.762 1.00 1.00 C ATOM 1287 NZ LYS A 77 11.353 10.926 9.558 1.00 1.00 N ATOM 0 H LYS A 77 9.878 7.115 6.372 1.00 1.00 H new ATOM 0 HA LYS A 77 7.273 6.771 7.833 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.037 9.090 7.067 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.319 9.354 7.288 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.686 9.432 9.537 1.00 1.00 H new ATOM 0 HG3 LYS A 77 8.066 7.722 9.485 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.138 8.393 10.241 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.440 8.768 8.556 1.00 1.00 H new ATOM 0 HE2 LYS A 77 9.272 11.090 9.140 1.00 1.00 H new ATOM 0 HE3 LYS A 77 9.644 10.659 10.798 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.446 11.933 9.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.980 10.365 10.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 11.620 10.782 8.563 1.00 1.00 H new ATOM 1301 N CYS A 78 5.855 7.518 5.707 1.00 1.00 N ATOM 1302 CA CYS A 78 5.187 7.533 4.377 1.00 1.00 C ATOM 1303 C CYS A 78 4.023 8.502 4.348 1.00 1.00 C ATOM 1304 O CYS A 78 3.427 8.805 5.368 1.00 1.00 O ATOM 1305 CB CYS A 78 4.684 6.129 4.043 1.00 1.00 C ATOM 1306 SG CYS A 78 2.875 6.099 4.083 1.00 1.00 S ATOM 0 H CYS A 78 5.253 7.675 6.515 1.00 1.00 H new ATOM 0 HA CYS A 78 5.918 7.859 3.637 1.00 1.00 H new ATOM 0 HB2 CYS A 78 5.040 5.830 3.057 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.084 5.410 4.758 1.00 1.00 H new ATOM 0 HG CYS A 78 2.408 6.570 2.965 1.00 1.00 H new ATOM 1312 N ASP A 79 3.623 8.896 3.167 1.00 1.00 N ATOM 1313 CA ASP A 79 2.387 9.743 3.076 1.00 1.00 C ATOM 1314 C ASP A 79 1.413 8.904 2.251 1.00 1.00 C ATOM 1315 O ASP A 79 1.729 8.507 1.140 1.00 1.00 O ATOM 1316 CB ASP A 79 2.636 11.130 2.448 1.00 1.00 C ATOM 1317 CG ASP A 79 3.528 11.047 1.211 1.00 1.00 C ATOM 1318 OD1 ASP A 79 4.736 11.105 1.372 1.00 1.00 O ATOM 1319 OD2 ASP A 79 2.984 10.961 0.122 1.00 1.00 O ATOM 0 H ASP A 79 4.081 8.678 2.282 1.00 1.00 H new ATOM 0 HA ASP A 79 1.999 9.983 4.066 1.00 1.00 H new ATOM 0 HB2 ASP A 79 1.682 11.582 2.177 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.100 11.784 3.186 1.00 1.00 H new ATOM 1324 N ILE A 80 0.291 8.524 2.811 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.612 7.579 2.065 1.00 1.00 C ATOM 1326 C ILE A 80 -1.968 8.147 1.670 1.00 1.00 C ATOM 1327 O ILE A 80 -2.487 9.086 2.247 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.883 6.335 2.923 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.994 6.716 4.406 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.245 5.332 2.740 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -1.722 5.606 5.167 1.00 1.00 C ATOM 0 H ILE A 80 -0.038 8.816 3.731 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.071 7.358 1.145 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.826 5.891 2.603 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.001 6.869 4.828 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.534 7.657 4.511 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.050 4.450 3.350 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.307 5.041 1.691 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.188 5.785 3.047 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -1.800 5.878 6.220 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.721 5.474 4.751 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -1.164 4.674 5.073 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.556 7.479 0.703 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.914 7.806 0.215 1.00 1.00 C ATOM 1345 C ILE A 81 -4.770 6.567 0.540 1.00 1.00 C ATOM 1346 O ILE A 81 -4.432 5.455 0.146 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.853 8.078 -1.299 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.998 9.582 -1.547 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -4.971 7.335 -2.031 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -2.928 10.041 -2.541 1.00 1.00 C ATOM 0 H ILE A 81 -2.123 6.691 0.221 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.336 8.697 0.680 1.00 1.00 H new ATOM 0 HB ILE A 81 -2.894 7.724 -1.679 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -4.991 9.803 -1.938 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.896 10.128 -0.609 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -4.907 7.543 -3.099 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -4.866 6.263 -1.863 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -5.938 7.669 -1.654 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -3.031 11.112 -2.718 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -1.939 9.834 -2.132 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -3.051 9.504 -3.482 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.832 6.743 1.301 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.678 5.577 1.721 1.00 1.00 C ATOM 1364 C TRP A 82 -7.919 5.437 0.826 1.00 1.00 C ATOM 1365 O TRP A 82 -8.462 6.412 0.340 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.082 5.778 3.204 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.577 5.765 3.392 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -9.276 4.751 3.953 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.557 6.791 3.045 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.619 5.082 3.960 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.842 6.329 3.413 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.458 8.061 2.449 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -11.986 7.097 3.199 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -10.608 8.837 2.233 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -11.869 8.356 2.606 1.00 1.00 C ATOM 0 H TRP A 82 -6.148 7.648 1.649 1.00 1.00 H new ATOM 0 HA TRP A 82 -6.107 4.654 1.614 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.634 4.991 3.811 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -6.680 6.725 3.563 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -8.854 3.833 4.333 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -11.355 4.478 4.325 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -8.491 8.442 2.156 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.956 6.721 3.490 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -10.519 9.812 1.776 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -12.750 8.958 2.435 1.00 1.00 H new ATOM 1386 N ARG A 83 -8.367 4.213 0.625 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.579 3.963 -0.220 1.00 1.00 C ATOM 1388 C ARG A 83 -9.826 2.449 -0.372 1.00 1.00 C ATOM 1389 O ARG A 83 -9.008 1.629 0.015 1.00 1.00 O ATOM 1390 CB ARG A 83 -9.377 4.576 -1.614 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.668 5.265 -2.070 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.487 6.786 -2.033 1.00 1.00 C ATOM 1393 NE ARG A 83 -11.819 7.450 -2.128 1.00 1.00 N ATOM 1394 CZ ARG A 83 -12.318 8.074 -1.092 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -11.962 9.308 -0.838 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -13.175 7.468 -0.314 1.00 1.00 N ATOM 0 H ARG A 83 -7.939 3.373 1.015 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.439 4.422 0.268 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.559 5.296 -1.590 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -9.097 3.799 -2.326 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.925 4.945 -3.080 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -11.495 4.972 -1.423 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.987 7.081 -1.110 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.850 7.107 -2.857 1.00 1.00 H new ATOM 0 HE ARG A 83 -12.342 7.418 -3.003 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.296 9.782 -1.448 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.351 9.795 -0.030 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -13.455 6.508 -0.514 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.564 7.955 0.494 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.766 -3.615 -2.654 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.553 -3.676 -1.794 1.00 1.00 C ATOM 1500 C VAL A 89 -3.322 -5.134 -1.400 1.00 1.00 C ATOM 1501 O VAL A 89 -2.196 -5.569 -1.279 1.00 1.00 O ATOM 1502 CB VAL A 89 -3.712 -2.775 -0.561 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.519 -3.567 0.735 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -2.661 -1.665 -0.636 1.00 1.00 C ATOM 0 HA VAL A 89 -2.685 -3.307 -2.340 1.00 1.00 H new ATOM 0 HB VAL A 89 -4.719 -2.359 -0.555 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.638 -2.901 1.590 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.262 -4.363 0.789 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.520 -4.002 0.750 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.758 -1.013 0.232 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.665 -2.107 -0.649 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -2.811 -1.083 -1.545 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.378 -5.899 -1.223 1.00 1.00 N ATOM 1515 CA GLU A 90 -4.208 -7.340 -0.873 1.00 1.00 C ATOM 1516 C GLU A 90 -3.267 -7.972 -1.906 1.00 1.00 C ATOM 1517 O GLU A 90 -2.430 -8.789 -1.577 1.00 1.00 O ATOM 1518 CB GLU A 90 -5.567 -8.049 -0.912 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.471 -7.489 0.191 1.00 1.00 C ATOM 1520 CD GLU A 90 -7.136 -8.642 0.949 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -6.543 -9.117 1.905 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -8.227 -9.029 0.563 1.00 1.00 O ATOM 0 H GLU A 90 -5.345 -5.584 -1.307 1.00 1.00 H new ATOM 0 HA GLU A 90 -3.793 -7.438 0.130 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.035 -7.907 -1.886 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -5.433 -9.122 -0.776 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -5.886 -6.878 0.879 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -7.232 -6.840 -0.243 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.392 -7.569 -3.153 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.506 -8.102 -4.230 1.00 1.00 C ATOM 1531 C TRP A 91 -1.057 -7.648 -3.987 1.00 1.00 C ATOM 1532 O TRP A 91 -0.153 -8.463 -3.938 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.986 -7.575 -5.587 1.00 1.00 C ATOM 1534 CG TRP A 91 -2.328 -8.338 -6.695 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -1.022 -8.244 -7.039 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -2.923 -9.301 -7.612 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -0.778 -9.090 -8.104 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -1.919 -9.763 -8.494 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -4.224 -9.814 -7.760 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.196 -10.701 -9.490 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -4.507 -10.758 -8.761 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.494 -11.200 -9.624 1.00 1.00 C ATOM 0 H TRP A 91 -4.080 -6.885 -3.468 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.545 -9.191 -4.224 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -4.069 -7.671 -5.661 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -2.754 -6.514 -5.677 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -0.290 -7.611 -6.559 1.00 1.00 H new ATOM 0 HE1 TRP A 91 0.133 -9.203 -8.548 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -5.011 -9.480 -7.100 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -1.412 -11.039 -10.152 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -5.510 -11.145 -8.866 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -3.717 -11.926 -10.392 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.826 -6.353 -3.858 1.00 1.00 N ATOM 1554 CA LEU A 92 0.584 -5.860 -3.645 1.00 1.00 C ATOM 1555 C LEU A 92 1.155 -6.373 -2.306 1.00 1.00 C ATOM 1556 O LEU A 92 2.239 -6.931 -2.265 1.00 1.00 O ATOM 1557 CB LEU A 92 0.659 -4.312 -3.697 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.493 -3.646 -2.918 1.00 1.00 C ATOM 1559 CD1 LEU A 92 0.003 -3.171 -1.547 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -1.007 -2.428 -3.704 1.00 1.00 C ATOM 0 H LEU A 92 -1.541 -5.627 -3.890 1.00 1.00 H new ATOM 0 HA LEU A 92 1.190 -6.258 -4.459 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.612 -3.982 -3.284 1.00 1.00 H new ATOM 0 HB3 LEU A 92 0.630 -3.983 -4.736 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.293 -4.374 -2.785 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -0.819 -2.702 -1.005 1.00 1.00 H new ATOM 0 HD12 LEU A 92 0.373 -4.024 -0.978 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.808 -2.448 -1.682 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.821 -1.957 -3.154 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -0.196 -1.712 -3.836 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -1.368 -2.751 -4.680 1.00 1.00 H new ATOM 1572 N LYS A 93 0.442 -6.190 -1.221 1.00 1.00 N ATOM 1573 CA LYS A 93 0.935 -6.655 0.115 1.00 1.00 C ATOM 1574 C LYS A 93 1.180 -8.177 0.098 1.00 1.00 C ATOM 1575 O LYS A 93 2.190 -8.649 0.594 1.00 1.00 O ATOM 1576 CB LYS A 93 -0.098 -6.281 1.195 1.00 1.00 C ATOM 1577 CG LYS A 93 -1.228 -7.318 1.246 1.00 1.00 C ATOM 1578 CD LYS A 93 -2.309 -6.854 2.224 1.00 1.00 C ATOM 1579 CE LYS A 93 -3.253 -8.021 2.531 1.00 1.00 C ATOM 1580 NZ LYS A 93 -3.374 -8.191 4.007 1.00 1.00 N ATOM 0 H LYS A 93 -0.470 -5.734 -1.203 1.00 1.00 H new ATOM 0 HA LYS A 93 1.882 -6.166 0.342 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.391 -6.220 2.167 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.512 -5.295 0.984 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.656 -7.453 0.253 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -0.833 -8.285 1.557 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -1.851 -6.491 3.144 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.869 -6.022 1.797 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -4.234 -7.833 2.095 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -2.874 -8.937 2.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -4.015 -8.983 4.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -2.437 -8.389 4.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -3.755 -7.319 4.427 1.00 1.00 H new ATOM 1594 N ARG A 94 0.276 -8.943 -0.481 1.00 1.00 N ATOM 1595 CA ARG A 94 0.465 -10.427 -0.541 1.00 1.00 C ATOM 1596 C ARG A 94 1.747 -10.734 -1.313 1.00 1.00 C ATOM 1597 O ARG A 94 2.500 -11.621 -0.952 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.725 -11.074 -1.252 1.00 1.00 C ATOM 1599 CG ARG A 94 -0.685 -12.591 -1.042 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.995 -13.056 -0.400 1.00 1.00 C ATOM 1601 NE ARG A 94 -3.139 -12.727 -1.302 1.00 1.00 N ATOM 1602 CZ ARG A 94 -4.060 -13.620 -1.542 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -4.957 -13.894 -0.631 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -4.086 -14.237 -2.695 1.00 1.00 N ATOM 0 H ARG A 94 -0.582 -8.600 -0.913 1.00 1.00 H new ATOM 0 HA ARG A 94 0.536 -10.827 0.471 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.659 -10.667 -0.864 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.695 -10.843 -2.317 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.537 -13.096 -1.996 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.158 -12.858 -0.405 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.961 -14.130 -0.216 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -2.130 -12.571 0.567 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.201 -11.804 -1.731 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.937 -13.410 0.267 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -5.677 -14.592 -0.818 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -3.387 -14.020 -3.405 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -4.805 -14.935 -2.884 1.00 1.00 H new ATOM 1618 N LYS A 95 2.002 -9.988 -2.362 1.00 1.00 N ATOM 1619 CA LYS A 95 3.239 -10.199 -3.163 1.00 1.00 C ATOM 1620 C LYS A 95 4.465 -10.006 -2.263 1.00 1.00 C ATOM 1621 O LYS A 95 5.470 -10.669 -2.434 1.00 1.00 O ATOM 1622 CB LYS A 95 3.281 -9.194 -4.318 1.00 1.00 C ATOM 1623 CG LYS A 95 2.571 -9.787 -5.537 1.00 1.00 C ATOM 1624 CD LYS A 95 3.163 -9.189 -6.817 1.00 1.00 C ATOM 1625 CE LYS A 95 4.383 -10.009 -7.249 1.00 1.00 C ATOM 1626 NZ LYS A 95 3.953 -11.105 -8.164 1.00 1.00 N ATOM 0 H LYS A 95 1.398 -9.237 -2.696 1.00 1.00 H new ATOM 0 HA LYS A 95 3.243 -11.210 -3.569 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.799 -8.262 -4.021 1.00 1.00 H new ATOM 0 HB3 LYS A 95 4.314 -8.953 -4.567 1.00 1.00 H new ATOM 0 HG2 LYS A 95 2.683 -10.871 -5.544 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.503 -9.578 -5.486 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.415 -9.186 -7.609 1.00 1.00 H new ATOM 0 HD3 LYS A 95 3.451 -8.152 -6.647 1.00 1.00 H new ATOM 0 HE2 LYS A 95 5.106 -9.366 -7.751 1.00 1.00 H new ATOM 0 HE3 LYS A 95 4.881 -10.427 -6.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 4.783 -11.660 -8.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.278 -11.724 -7.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 3.497 -10.697 -9.005 1.00 1.00 H new ATOM 1640 N GLY A 96 4.386 -9.108 -1.299 1.00 1.00 N ATOM 1641 CA GLY A 96 5.544 -8.882 -0.384 1.00 1.00 C ATOM 1642 C GLY A 96 5.785 -10.131 0.473 1.00 1.00 C ATOM 1643 O GLY A 96 6.913 -10.534 0.689 1.00 1.00 O ATOM 0 H GLY A 96 3.568 -8.527 -1.113 1.00 1.00 H new ATOM 0 HA2 GLY A 96 6.437 -8.651 -0.964 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.349 -8.022 0.257 1.00 1.00 H new ATOM 1647 N TYR A 97 4.729 -10.733 0.972 1.00 1.00 N ATOM 1648 CA TYR A 97 4.879 -11.951 1.841 1.00 1.00 C ATOM 1649 C TYR A 97 5.438 -13.130 1.030 1.00 1.00 C ATOM 1650 O TYR A 97 6.438 -13.718 1.402 1.00 1.00 O ATOM 1651 CB TYR A 97 3.524 -12.357 2.447 1.00 1.00 C ATOM 1652 CG TYR A 97 2.704 -11.130 2.797 1.00 1.00 C ATOM 1653 CD1 TYR A 97 3.321 -9.994 3.340 1.00 1.00 C ATOM 1654 CD2 TYR A 97 1.327 -11.133 2.569 1.00 1.00 C ATOM 1655 CE1 TYR A 97 2.558 -8.864 3.651 1.00 1.00 C ATOM 1656 CE2 TYR A 97 0.561 -10.005 2.881 1.00 1.00 C ATOM 1657 CZ TYR A 97 1.175 -8.869 3.422 1.00 1.00 C ATOM 1658 OH TYR A 97 0.414 -7.759 3.738 1.00 1.00 O ATOM 0 H TYR A 97 3.767 -10.434 0.815 1.00 1.00 H new ATOM 0 HA TYR A 97 5.574 -11.702 2.643 1.00 1.00 H new ATOM 0 HB2 TYR A 97 2.975 -12.978 1.739 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.686 -12.960 3.341 1.00 1.00 H new ATOM 0 HD1 TYR A 97 4.386 -9.992 3.518 1.00 1.00 H new ATOM 0 HD2 TYR A 97 0.852 -12.008 2.151 1.00 1.00 H new ATOM 0 HE1 TYR A 97 3.034 -7.988 4.067 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -0.504 -10.010 2.705 1.00 1.00 H new ATOM 0 HH TYR A 97 1.003 -7.028 4.021 1.00 1.00 H new ATOM 1668 N LEU A 98 4.795 -13.488 -0.061 1.00 1.00 N ATOM 1669 CA LEU A 98 5.279 -14.642 -0.889 1.00 1.00 C ATOM 1670 C LEU A 98 6.707 -14.379 -1.394 1.00 1.00 C ATOM 1671 O LEU A 98 7.498 -15.295 -1.528 1.00 1.00 O ATOM 1672 CB LEU A 98 4.332 -14.878 -2.075 1.00 1.00 C ATOM 1673 CG LEU A 98 4.350 -13.680 -3.033 1.00 1.00 C ATOM 1674 CD1 LEU A 98 5.405 -13.902 -4.123 1.00 1.00 C ATOM 1675 CD2 LEU A 98 2.972 -13.536 -3.685 1.00 1.00 C ATOM 0 H LEU A 98 3.955 -13.029 -0.413 1.00 1.00 H new ATOM 0 HA LEU A 98 5.291 -15.536 -0.265 1.00 1.00 H new ATOM 0 HB2 LEU A 98 4.629 -15.781 -2.609 1.00 1.00 H new ATOM 0 HB3 LEU A 98 3.318 -15.042 -1.710 1.00 1.00 H new ATOM 0 HG LEU A 98 4.593 -12.775 -2.476 1.00 1.00 H new ATOM 0 HD11 LEU A 98 5.413 -13.048 -4.801 1.00 1.00 H new ATOM 0 HD12 LEU A 98 6.387 -14.009 -3.662 1.00 1.00 H new ATOM 0 HD13 LEU A 98 5.166 -14.807 -4.682 1.00 1.00 H new ATOM 0 HD21 LEU A 98 2.979 -12.686 -4.367 1.00 1.00 H new ATOM 0 HD22 LEU A 98 2.735 -14.444 -4.240 1.00 1.00 H new ATOM 0 HD23 LEU A 98 2.219 -13.376 -2.913 1.00 1.00 H new ATOM 1687 N ASP A 99 7.038 -13.139 -1.678 1.00 1.00 N ATOM 1688 CA ASP A 99 8.410 -12.817 -2.177 1.00 1.00 C ATOM 1689 C ASP A 99 9.445 -13.128 -1.087 1.00 1.00 C ATOM 1690 O ASP A 99 10.423 -13.810 -1.334 1.00 1.00 O ATOM 1691 CB ASP A 99 8.491 -11.330 -2.546 1.00 1.00 C ATOM 1692 CG ASP A 99 8.443 -11.173 -4.070 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.489 -11.288 -4.690 1.00 1.00 O ATOM 1694 OD2 ASP A 99 7.365 -10.938 -4.591 1.00 1.00 O ATOM 0 H ASP A 99 6.414 -12.337 -1.585 1.00 1.00 H new ATOM 0 HA ASP A 99 8.619 -13.422 -3.059 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.665 -10.786 -2.088 1.00 1.00 H new ATOM 0 HB3 ASP A 99 9.412 -10.898 -2.155 1.00 1.00 H new ATOM 1699 N GLU A 100 9.237 -12.628 0.113 1.00 1.00 N ATOM 1700 CA GLU A 100 10.209 -12.886 1.223 1.00 1.00 C ATOM 1701 C GLU A 100 10.214 -14.377 1.587 1.00 1.00 C ATOM 1702 O GLU A 100 11.247 -15.021 1.558 1.00 1.00 O ATOM 1703 CB GLU A 100 9.811 -12.063 2.453 1.00 1.00 C ATOM 1704 CG GLU A 100 10.533 -10.711 2.424 1.00 1.00 C ATOM 1705 CD GLU A 100 9.635 -9.657 1.766 1.00 1.00 C ATOM 1706 OE1 GLU A 100 9.706 -9.517 0.555 1.00 1.00 O ATOM 1707 OE2 GLU A 100 8.892 -9.007 2.484 1.00 1.00 O ATOM 0 H GLU A 100 8.435 -12.052 0.369 1.00 1.00 H new ATOM 0 HA GLU A 100 11.207 -12.597 0.894 1.00 1.00 H new ATOM 0 HB2 GLU A 100 8.732 -11.910 2.467 1.00 1.00 H new ATOM 0 HB3 GLU A 100 10.068 -12.604 3.364 1.00 1.00 H new ATOM 0 HG2 GLU A 100 10.788 -10.403 3.438 1.00 1.00 H new ATOM 0 HG3 GLU A 100 11.469 -10.800 1.873 1.00 1.00 H new