USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 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 82:sc= -6.26! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.0606 (180deg=-0.64) USER MOD Single : A 76 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 160:sc= -6! USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= -1.12 (180deg=-2.87!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -5:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 351 N GLU A 21 8.342 -0.486 -4.344 1.00 1.00 N ATOM 352 CA GLU A 21 7.439 0.086 -3.298 1.00 1.00 C ATOM 353 C GLU A 21 7.106 -0.990 -2.255 1.00 1.00 C ATOM 354 O GLU A 21 7.361 -2.166 -2.455 1.00 1.00 O ATOM 355 CB GLU A 21 6.147 0.586 -3.953 1.00 1.00 C ATOM 356 CG GLU A 21 6.235 2.101 -4.175 1.00 1.00 C ATOM 357 CD GLU A 21 6.974 2.393 -5.487 1.00 1.00 C ATOM 358 OE1 GLU A 21 6.322 2.425 -6.519 1.00 1.00 O ATOM 359 OE2 GLU A 21 8.179 2.584 -5.438 1.00 1.00 O ATOM 0 HA GLU A 21 7.941 0.919 -2.806 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.989 0.078 -4.904 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.292 0.350 -3.320 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.234 2.532 -4.207 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.757 2.570 -3.341 1.00 1.00 H new ATOM 366 N ILE A 22 6.537 -0.590 -1.143 1.00 1.00 N ATOM 367 CA ILE A 22 6.178 -1.572 -0.066 1.00 1.00 C ATOM 368 C ILE A 22 4.651 -1.613 0.081 1.00 1.00 C ATOM 369 O ILE A 22 3.968 -0.713 -0.385 1.00 1.00 O ATOM 370 CB ILE A 22 6.848 -1.158 1.251 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.175 0.347 1.235 1.00 1.00 C ATOM 372 CG2 ILE A 22 8.143 -1.949 1.399 1.00 1.00 C ATOM 373 CD1 ILE A 22 7.860 0.750 2.540 1.00 1.00 C ATOM 0 H ILE A 22 6.304 0.380 -0.932 1.00 1.00 H new ATOM 0 HA ILE A 22 6.533 -2.569 -0.329 1.00 1.00 H new ATOM 0 HB ILE A 22 6.174 -1.361 2.083 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.823 0.577 0.389 1.00 1.00 H new ATOM 0 HG13 ILE A 22 6.260 0.924 1.102 1.00 1.00 H new ATOM 0 HG21 ILE A 22 8.636 -1.669 2.330 1.00 1.00 H new ATOM 0 HG22 ILE A 22 7.918 -3.015 1.413 1.00 1.00 H new ATOM 0 HG23 ILE A 22 8.802 -1.728 0.559 1.00 1.00 H new ATOM 0 HD11 ILE A 22 8.087 1.816 2.518 1.00 1.00 H new ATOM 0 HD12 ILE A 22 7.198 0.537 3.379 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.785 0.185 2.655 1.00 1.00 H new ATOM 385 N LEU A 23 4.087 -2.643 0.693 1.00 1.00 N ATOM 386 CA LEU A 23 2.570 -2.665 0.788 1.00 1.00 C ATOM 387 C LEU A 23 2.152 -2.860 2.233 1.00 1.00 C ATOM 388 O LEU A 23 2.563 -3.814 2.853 1.00 1.00 O ATOM 389 CB LEU A 23 2.011 -3.807 -0.069 1.00 1.00 C ATOM 390 CG LEU A 23 0.928 -3.278 -1.019 1.00 1.00 C ATOM 391 CD1 LEU A 23 -0.242 -2.712 -0.207 1.00 1.00 C ATOM 392 CD2 LEU A 23 1.514 -2.179 -1.913 1.00 1.00 C ATOM 0 H LEU A 23 4.577 -3.433 1.112 1.00 1.00 H new ATOM 0 HA LEU A 23 2.175 -1.717 0.422 1.00 1.00 H new ATOM 0 HB2 LEU A 23 2.815 -4.267 -0.643 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.594 -4.582 0.573 1.00 1.00 H new ATOM 0 HG LEU A 23 0.570 -4.096 -1.643 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -1.008 -2.338 -0.886 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -0.664 -3.498 0.419 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.113 -1.897 0.424 1.00 1.00 H new ATOM 0 HD21 LEU A 23 0.741 -1.807 -2.586 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.879 -1.361 -1.292 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.338 -2.587 -2.498 1.00 1.00 H new ATOM 404 N GLY A 24 1.369 -1.973 2.800 1.00 1.00 N ATOM 405 CA GLY A 24 0.996 -2.142 4.239 1.00 1.00 C ATOM 406 C GLY A 24 -0.460 -1.773 4.505 1.00 1.00 C ATOM 407 O GLY A 24 -1.106 -1.107 3.722 1.00 1.00 O ATOM 0 H GLY A 24 0.978 -1.152 2.337 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.167 -3.176 4.538 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.645 -1.520 4.856 1.00 1.00 H new ATOM 411 N ILE A 25 -0.964 -2.196 5.637 1.00 1.00 N ATOM 412 CA ILE A 25 -2.365 -1.867 6.018 1.00 1.00 C ATOM 413 C ILE A 25 -2.330 -0.656 6.959 1.00 1.00 C ATOM 414 O ILE A 25 -1.387 -0.472 7.724 1.00 1.00 O ATOM 415 CB ILE A 25 -3.020 -3.068 6.720 1.00 1.00 C ATOM 416 CG1 ILE A 25 -2.162 -3.514 7.914 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.154 -4.228 5.727 1.00 1.00 C ATOM 418 CD1 ILE A 25 -3.025 -4.301 8.905 1.00 1.00 C ATOM 0 H ILE A 25 -0.457 -2.761 6.318 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.952 -1.635 5.129 1.00 1.00 H new ATOM 0 HB ILE A 25 -4.006 -2.776 7.080 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.333 -4.132 7.568 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -1.727 -2.644 8.407 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.618 -5.080 6.223 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.773 -3.917 4.885 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.166 -4.513 5.365 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -2.413 -4.616 9.750 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -3.838 -3.669 9.261 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.439 -5.179 8.410 1.00 1.00 H new ATOM 430 N ILE A 26 -3.337 0.183 6.885 1.00 1.00 N ATOM 431 CA ILE A 26 -3.371 1.406 7.738 1.00 1.00 C ATOM 432 C ILE A 26 -4.239 1.205 8.970 1.00 1.00 C ATOM 433 O ILE A 26 -5.245 0.498 8.956 1.00 1.00 O ATOM 434 CB ILE A 26 -3.927 2.612 6.972 1.00 1.00 C ATOM 435 CG1 ILE A 26 -5.091 2.192 6.066 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.831 3.247 6.135 1.00 1.00 C ATOM 437 CD1 ILE A 26 -6.050 3.372 5.888 1.00 1.00 C ATOM 0 H ILE A 26 -4.139 0.069 6.266 1.00 1.00 H new ATOM 0 HA ILE A 26 -2.339 1.594 8.034 1.00 1.00 H new ATOM 0 HB ILE A 26 -4.295 3.337 7.698 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -4.713 1.868 5.097 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.618 1.344 6.503 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -3.236 4.103 5.595 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -2.022 3.578 6.786 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -2.448 2.516 5.423 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -6.878 3.074 5.244 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -6.438 3.676 6.860 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -5.518 4.207 5.433 1.00 1.00 H new ATOM 449 N GLU A 27 -3.840 1.878 10.017 1.00 1.00 N ATOM 450 CA GLU A 27 -4.568 1.843 11.317 1.00 1.00 C ATOM 451 C GLU A 27 -4.552 3.258 11.916 1.00 1.00 C ATOM 452 O GLU A 27 -3.512 3.894 11.993 1.00 1.00 O ATOM 453 CB GLU A 27 -3.865 0.869 12.269 1.00 1.00 C ATOM 454 CG GLU A 27 -4.775 0.563 13.462 1.00 1.00 C ATOM 455 CD GLU A 27 -4.074 -0.422 14.403 1.00 1.00 C ATOM 456 OE1 GLU A 27 -3.299 0.029 15.232 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.323 -1.610 14.281 1.00 1.00 O ATOM 0 H GLU A 27 -3.010 2.471 10.022 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.596 1.512 11.168 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -3.617 -0.053 11.743 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.926 1.300 12.617 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.015 1.483 13.995 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.718 0.141 13.114 1.00 1.00 H new ATOM 545 N ARG A 34 -1.106 12.190 10.476 1.00 1.00 N ATOM 546 CA ARG A 34 -0.461 10.956 9.933 1.00 1.00 C ATOM 547 C ARG A 34 -0.989 9.718 10.669 1.00 1.00 C ATOM 548 O ARG A 34 -1.214 9.735 11.866 1.00 1.00 O ATOM 549 CB ARG A 34 1.058 11.044 10.115 1.00 1.00 C ATOM 550 CG ARG A 34 1.602 12.258 9.355 1.00 1.00 C ATOM 551 CD ARG A 34 3.103 12.396 9.619 1.00 1.00 C ATOM 552 NE ARG A 34 3.324 12.839 11.026 1.00 1.00 N ATOM 553 CZ ARG A 34 4.197 13.776 11.287 1.00 1.00 C ATOM 554 NH1 ARG A 34 5.463 13.472 11.409 1.00 1.00 N ATOM 555 NH2 ARG A 34 3.801 15.015 11.426 1.00 1.00 N ATOM 0 HA ARG A 34 -0.699 10.872 8.873 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.302 11.127 11.174 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.531 10.133 9.749 1.00 1.00 H new ATOM 0 HG2 ARG A 34 1.419 12.143 8.287 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.082 13.162 9.672 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.603 11.443 9.444 1.00 1.00 H new ATOM 0 HD3 ARG A 34 3.540 13.116 8.927 1.00 1.00 H new ATOM 0 HE ARG A 34 2.794 12.411 11.785 1.00 1.00 H new ATOM 0 HH11 ARG A 34 5.768 12.505 11.300 1.00 1.00 H new ATOM 0 HH12 ARG A 34 6.145 14.202 11.613 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.813 15.248 11.331 1.00 1.00 H new ATOM 0 HH22 ARG A 34 4.481 15.748 11.630 1.00 1.00 H new ATOM 569 N VAL A 35 -1.185 8.647 9.941 1.00 1.00 N ATOM 570 CA VAL A 35 -1.698 7.379 10.537 1.00 1.00 C ATOM 571 C VAL A 35 -0.522 6.418 10.772 1.00 1.00 C ATOM 572 O VAL A 35 0.541 6.568 10.193 1.00 1.00 O ATOM 573 CB VAL A 35 -2.721 6.774 9.556 1.00 1.00 C ATOM 574 CG1 VAL A 35 -2.492 5.272 9.360 1.00 1.00 C ATOM 575 CG2 VAL A 35 -4.134 7.009 10.089 1.00 1.00 C ATOM 0 H VAL A 35 -1.007 8.599 8.938 1.00 1.00 H new ATOM 0 HA VAL A 35 -2.182 7.562 11.497 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.596 7.263 8.590 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -3.232 4.879 8.662 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.492 5.106 8.960 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.590 4.761 10.318 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.860 6.582 9.397 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -4.239 6.533 11.064 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.313 8.080 10.187 1.00 1.00 H new ATOM 585 N ARG A 36 -0.717 5.417 11.597 1.00 1.00 N ATOM 586 CA ARG A 36 0.380 4.424 11.850 1.00 1.00 C ATOM 587 C ARG A 36 0.117 3.210 10.968 1.00 1.00 C ATOM 588 O ARG A 36 -1.001 2.727 10.893 1.00 1.00 O ATOM 589 CB ARG A 36 0.419 3.992 13.322 1.00 1.00 C ATOM 590 CG ARG A 36 -0.998 3.900 13.896 1.00 1.00 C ATOM 591 CD ARG A 36 -0.970 3.104 15.201 1.00 1.00 C ATOM 592 NE ARG A 36 -2.337 3.073 15.794 1.00 1.00 N ATOM 593 CZ ARG A 36 -2.487 2.987 17.090 1.00 1.00 C ATOM 594 NH1 ARG A 36 -2.298 4.039 17.843 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.828 1.846 17.631 1.00 1.00 N ATOM 0 H ARG A 36 -1.584 5.243 12.105 1.00 1.00 H new ATOM 0 HA ARG A 36 1.342 4.881 11.618 1.00 1.00 H new ATOM 0 HB2 ARG A 36 0.916 3.026 13.410 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.006 4.706 13.900 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -1.394 4.899 14.076 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.662 3.418 13.178 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.621 2.089 15.013 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -0.269 3.558 15.901 1.00 1.00 H new ATOM 0 HE ARG A 36 -3.156 3.119 15.188 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -2.033 4.928 17.420 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.415 3.970 18.854 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.976 1.026 17.042 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -2.946 1.776 18.642 1.00 1.00 H new ATOM 609 N VAL A 37 1.112 2.745 10.250 1.00 1.00 N ATOM 610 CA VAL A 37 0.885 1.624 9.334 1.00 1.00 C ATOM 611 C VAL A 37 1.996 0.575 9.450 1.00 1.00 C ATOM 612 O VAL A 37 3.145 0.878 9.733 1.00 1.00 O ATOM 613 CB VAL A 37 0.905 2.218 7.935 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.345 1.172 6.938 1.00 1.00 C ATOM 615 CG2 VAL A 37 -0.479 2.728 7.569 1.00 1.00 C ATOM 0 H VAL A 37 2.066 3.105 10.271 1.00 1.00 H new ATOM 0 HA VAL A 37 -0.057 1.127 9.566 1.00 1.00 H new ATOM 0 HB VAL A 37 1.609 3.050 7.913 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.357 1.605 5.938 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.345 0.823 7.194 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.651 0.332 6.962 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -0.457 3.152 6.565 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -1.190 1.903 7.598 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.784 3.495 8.280 1.00 1.00 H new ATOM 625 N ARG A 38 1.658 -0.644 9.136 1.00 1.00 N ATOM 626 CA ARG A 38 2.677 -1.740 9.114 1.00 1.00 C ATOM 627 C ARG A 38 2.599 -2.359 7.738 1.00 1.00 C ATOM 628 O ARG A 38 1.553 -2.357 7.112 1.00 1.00 O ATOM 629 CB ARG A 38 2.401 -2.799 10.164 1.00 1.00 C ATOM 630 CG ARG A 38 3.698 -3.172 10.885 1.00 1.00 C ATOM 631 CD ARG A 38 3.538 -4.540 11.552 1.00 1.00 C ATOM 632 NE ARG A 38 4.324 -5.557 10.795 1.00 1.00 N ATOM 633 CZ ARG A 38 3.757 -6.248 9.841 1.00 1.00 C ATOM 634 NH1 ARG A 38 3.068 -7.322 10.132 1.00 1.00 N ATOM 635 NH2 ARG A 38 3.880 -5.867 8.596 1.00 1.00 N ATOM 0 H ARG A 38 0.711 -0.934 8.891 1.00 1.00 H new ATOM 0 HA ARG A 38 3.664 -1.334 9.334 1.00 1.00 H new ATOM 0 HB2 ARG A 38 1.670 -2.429 10.882 1.00 1.00 H new ATOM 0 HB3 ARG A 38 1.968 -3.683 9.696 1.00 1.00 H new ATOM 0 HG2 ARG A 38 4.526 -3.196 10.177 1.00 1.00 H new ATOM 0 HG3 ARG A 38 3.940 -2.417 11.633 1.00 1.00 H new ATOM 0 HD2 ARG A 38 3.881 -4.495 12.586 1.00 1.00 H new ATOM 0 HD3 ARG A 38 2.486 -4.823 11.578 1.00 1.00 H new ATOM 0 HE ARG A 38 5.306 -5.714 11.022 1.00 1.00 H new ATOM 0 HH11 ARG A 38 2.973 -7.620 11.103 1.00 1.00 H new ATOM 0 HH12 ARG A 38 2.626 -7.861 9.388 1.00 1.00 H new ATOM 0 HH21 ARG A 38 4.418 -5.031 8.369 1.00 1.00 H new ATOM 0 HH22 ARG A 38 3.438 -6.406 7.852 1.00 1.00 H new ATOM 649 N CYS A 39 3.687 -2.835 7.231 1.00 1.00 N ATOM 650 CA CYS A 39 3.643 -3.383 5.851 1.00 1.00 C ATOM 651 C CYS A 39 4.545 -4.598 5.633 1.00 1.00 C ATOM 652 O CYS A 39 5.535 -4.818 6.318 1.00 1.00 O ATOM 653 CB CYS A 39 4.061 -2.263 4.893 1.00 1.00 C ATOM 654 SG CYS A 39 5.777 -2.491 4.367 1.00 1.00 S ATOM 0 H CYS A 39 4.593 -2.872 7.697 1.00 1.00 H new ATOM 0 HA CYS A 39 2.626 -3.731 5.668 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.405 -2.257 4.023 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.950 -1.296 5.383 1.00 1.00 H new ATOM 0 HG CYS A 39 5.821 -3.349 3.392 1.00 1.00 H new ATOM 660 N LEU A 40 4.228 -5.320 4.589 1.00 1.00 N ATOM 661 CA LEU A 40 5.031 -6.467 4.168 1.00 1.00 C ATOM 662 C LEU A 40 6.012 -5.955 3.118 1.00 1.00 C ATOM 663 O LEU A 40 6.048 -4.751 2.783 1.00 1.00 O ATOM 664 CB LEU A 40 4.148 -7.560 3.576 1.00 1.00 C ATOM 665 CG LEU A 40 3.904 -8.640 4.633 1.00 1.00 C ATOM 666 CD1 LEU A 40 2.886 -9.652 4.106 1.00 1.00 C ATOM 667 CD2 LEU A 40 5.220 -9.357 4.948 1.00 1.00 C ATOM 0 H LEU A 40 3.413 -5.141 4.002 1.00 1.00 H new ATOM 0 HA LEU A 40 5.555 -6.902 5.019 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.199 -7.138 3.245 1.00 1.00 H new ATOM 0 HB3 LEU A 40 4.627 -7.995 2.699 1.00 1.00 H new ATOM 0 HG LEU A 40 3.518 -8.176 5.540 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.713 -10.420 4.860 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.948 -9.143 3.885 1.00 1.00 H new ATOM 0 HD13 LEU A 40 3.270 -10.115 3.197 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.044 -10.126 5.701 1.00 1.00 H new ATOM 0 HD22 LEU A 40 5.608 -9.820 4.041 1.00 1.00 H new ATOM 0 HD23 LEU A 40 5.945 -8.637 5.327 1.00 1.00 H new ATOM 679 N ASP A 41 6.848 -6.848 2.668 1.00 1.00 N ATOM 680 CA ASP A 41 7.974 -6.488 1.777 1.00 1.00 C ATOM 681 C ASP A 41 9.028 -5.858 2.725 1.00 1.00 C ATOM 682 O ASP A 41 9.939 -5.162 2.315 1.00 1.00 O ATOM 683 CB ASP A 41 7.547 -5.488 0.682 1.00 1.00 C ATOM 684 CG ASP A 41 6.301 -6.005 -0.053 1.00 1.00 C ATOM 685 OD1 ASP A 41 6.416 -7.001 -0.753 1.00 1.00 O ATOM 686 OD2 ASP A 41 5.254 -5.394 0.091 1.00 1.00 O ATOM 0 H ASP A 41 6.791 -7.842 2.891 1.00 1.00 H new ATOM 0 HA ASP A 41 8.357 -7.355 1.239 1.00 1.00 H new ATOM 0 HB2 ASP A 41 7.337 -4.516 1.129 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.362 -5.344 -0.027 1.00 1.00 H new ATOM 691 N GLY A 42 8.918 -6.215 4.015 1.00 1.00 N ATOM 692 CA GLY A 42 9.896 -5.795 5.075 1.00 1.00 C ATOM 693 C GLY A 42 9.836 -4.311 5.471 1.00 1.00 C ATOM 694 O GLY A 42 10.872 -3.669 5.495 1.00 1.00 O ATOM 0 H GLY A 42 8.160 -6.799 4.368 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.724 -6.399 5.966 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.904 -6.021 4.727 1.00 1.00 H new ATOM 698 N LYS A 43 8.689 -3.741 5.825 1.00 1.00 N ATOM 699 CA LYS A 43 8.735 -2.302 6.248 1.00 1.00 C ATOM 700 C LYS A 43 7.703 -1.958 7.334 1.00 1.00 C ATOM 701 O LYS A 43 6.623 -2.515 7.399 1.00 1.00 O ATOM 702 CB LYS A 43 8.548 -1.382 5.043 1.00 1.00 C ATOM 703 CG LYS A 43 9.369 -0.102 5.246 1.00 1.00 C ATOM 704 CD LYS A 43 10.866 -0.422 5.164 1.00 1.00 C ATOM 705 CE LYS A 43 11.499 -0.271 6.551 1.00 1.00 C ATOM 706 NZ LYS A 43 12.940 -0.649 6.489 1.00 1.00 N ATOM 0 H LYS A 43 7.773 -4.189 5.838 1.00 1.00 H new ATOM 0 HA LYS A 43 9.721 -2.143 6.684 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.865 -1.889 4.132 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.493 -1.135 4.920 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.104 0.634 4.487 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.136 0.340 6.215 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.012 -1.437 4.795 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.353 0.248 4.456 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.397 0.757 6.898 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.978 -0.903 7.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.367 -0.546 7.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 13.027 -1.637 6.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.433 -0.028 5.816 1.00 1.00 H new ATOM 720 N THR A 44 8.036 -0.976 8.136 1.00 1.00 N ATOM 721 CA THR A 44 7.115 -0.453 9.204 1.00 1.00 C ATOM 722 C THR A 44 7.195 1.079 9.087 1.00 1.00 C ATOM 723 O THR A 44 8.271 1.667 9.183 1.00 1.00 O ATOM 724 CB THR A 44 7.567 -0.932 10.596 1.00 1.00 C ATOM 725 OG1 THR A 44 6.475 -0.841 11.507 1.00 1.00 O ATOM 726 CG2 THR A 44 8.726 -0.071 11.106 1.00 1.00 C ATOM 0 H THR A 44 8.936 -0.498 8.096 1.00 1.00 H new ATOM 0 HA THR A 44 6.094 -0.812 9.078 1.00 1.00 H new ATOM 0 HB THR A 44 7.901 -1.967 10.520 1.00 1.00 H new ATOM 0 HG1 THR A 44 6.761 -1.147 12.393 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.034 -0.422 12.091 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.566 -0.145 10.415 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.404 0.968 11.176 1.00 1.00 H new ATOM 734 N ARG A 45 6.094 1.726 8.790 1.00 1.00 N ATOM 735 CA ARG A 45 6.162 3.200 8.567 1.00 1.00 C ATOM 736 C ARG A 45 4.903 3.931 9.022 1.00 1.00 C ATOM 737 O ARG A 45 3.827 3.370 9.119 1.00 1.00 O ATOM 738 CB ARG A 45 6.340 3.478 7.063 1.00 1.00 C ATOM 739 CG ARG A 45 7.287 2.454 6.424 1.00 1.00 C ATOM 740 CD ARG A 45 6.494 1.219 5.987 1.00 1.00 C ATOM 741 NE ARG A 45 5.814 1.500 4.693 1.00 1.00 N ATOM 742 CZ ARG A 45 4.641 0.982 4.443 1.00 1.00 C ATOM 743 NH1 ARG A 45 3.613 1.312 5.169 1.00 1.00 N ATOM 744 NH2 ARG A 45 4.493 0.145 3.453 1.00 1.00 N ATOM 0 H ARG A 45 5.170 1.306 8.694 1.00 1.00 H new ATOM 0 HA ARG A 45 7.003 3.565 9.156 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.371 3.442 6.566 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.735 4.484 6.919 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.791 2.897 5.565 1.00 1.00 H new ATOM 0 HG3 ARG A 45 8.062 2.168 7.135 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.161 0.364 5.882 1.00 1.00 H new ATOM 0 HD3 ARG A 45 5.758 0.958 6.748 1.00 1.00 H new ATOM 0 HE ARG A 45 6.265 2.098 4.000 1.00 1.00 H new ATOM 0 HH11 ARG A 45 3.722 1.976 5.935 1.00 1.00 H new ATOM 0 HH12 ARG A 45 2.698 0.906 4.972 1.00 1.00 H new ATOM 0 HH21 ARG A 45 5.294 -0.106 2.873 1.00 1.00 H new ATOM 0 HH22 ARG A 45 3.577 -0.259 3.259 1.00 1.00 H new ATOM 758 N LEU A 46 5.037 5.221 9.180 1.00 1.00 N ATOM 759 CA LEU A 46 3.862 6.081 9.495 1.00 1.00 C ATOM 760 C LEU A 46 3.465 6.663 8.137 1.00 1.00 C ATOM 761 O LEU A 46 4.294 7.228 7.442 1.00 1.00 O ATOM 762 CB LEU A 46 4.212 7.216 10.486 1.00 1.00 C ATOM 763 CG LEU A 46 5.732 7.362 10.661 1.00 1.00 C ATOM 764 CD1 LEU A 46 6.055 8.775 11.150 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.233 6.341 11.691 1.00 1.00 C ATOM 0 H LEU A 46 5.923 5.721 9.103 1.00 1.00 H new ATOM 0 HA LEU A 46 3.066 5.515 9.978 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.794 8.156 10.126 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.751 7.012 11.452 1.00 1.00 H new ATOM 0 HG LEU A 46 6.224 7.184 9.705 1.00 1.00 H new ATOM 0 HD11 LEU A 46 7.133 8.879 11.274 1.00 1.00 H new ATOM 0 HD12 LEU A 46 5.702 9.503 10.419 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.561 8.951 12.105 1.00 1.00 H new ATOM 0 HD21 LEU A 46 7.311 6.447 11.813 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.740 6.517 12.647 1.00 1.00 H new ATOM 0 HD23 LEU A 46 6.004 5.333 11.345 1.00 1.00 H new ATOM 777 N GLY A 47 2.246 6.466 7.706 1.00 1.00 N ATOM 778 CA GLY A 47 1.864 6.937 6.340 1.00 1.00 C ATOM 779 C GLY A 47 1.196 8.306 6.368 1.00 1.00 C ATOM 780 O GLY A 47 0.436 8.631 7.263 1.00 1.00 O ATOM 0 H GLY A 47 1.505 6.005 8.234 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.753 6.982 5.711 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.187 6.214 5.884 1.00 1.00 H new ATOM 784 N ARG A 48 1.483 9.101 5.360 1.00 1.00 N ATOM 785 CA ARG A 48 0.884 10.458 5.260 1.00 1.00 C ATOM 786 C ARG A 48 -0.295 10.419 4.290 1.00 1.00 C ATOM 787 O ARG A 48 -0.258 9.748 3.272 1.00 1.00 O ATOM 788 CB ARG A 48 1.924 11.480 4.782 1.00 1.00 C ATOM 789 CG ARG A 48 2.555 11.026 3.461 1.00 1.00 C ATOM 790 CD ARG A 48 2.134 11.975 2.336 1.00 1.00 C ATOM 791 NE ARG A 48 2.885 13.258 2.453 1.00 1.00 N ATOM 792 CZ ARG A 48 2.241 14.381 2.634 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.712 15.004 1.613 1.00 1.00 N ATOM 794 NH2 ARG A 48 2.128 14.884 3.836 1.00 1.00 N ATOM 0 H ARG A 48 2.115 8.857 4.598 1.00 1.00 H new ATOM 0 HA ARG A 48 0.537 10.764 6.247 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.452 12.454 4.651 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.699 11.601 5.539 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.641 11.012 3.551 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.242 10.008 3.228 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.329 11.515 1.367 1.00 1.00 H new ATOM 0 HD3 ARG A 48 1.062 12.164 2.389 1.00 1.00 H new ATOM 0 HE ARG A 48 3.903 13.259 2.392 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.802 14.614 0.675 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.210 15.880 1.755 1.00 1.00 H new ATOM 0 HH21 ARG A 48 2.542 14.400 4.632 1.00 1.00 H new ATOM 0 HH22 ARG A 48 1.625 15.760 3.977 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.671 -0.712 6.901 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.844 -0.489 5.424 1.00 1.00 C ATOM 1058 C ASP A 63 -6.588 -0.941 4.671 1.00 1.00 C ATOM 1059 O ASP A 63 -5.534 -1.106 5.262 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.087 1.001 5.160 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.564 1.234 4.829 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.350 1.343 5.756 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.885 1.302 3.652 1.00 1.00 O ATOM 0 HA ASP A 63 -8.697 -1.070 5.074 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.804 1.586 6.035 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.462 1.340 4.334 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.674 -1.124 3.371 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.455 -1.543 2.597 1.00 1.00 C ATOM 1070 C VAL A 64 -4.822 -0.284 2.006 1.00 1.00 C ATOM 1071 O VAL A 64 -5.512 0.597 1.520 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.824 -2.529 1.473 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -7.092 -2.065 0.756 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -4.675 -2.608 0.460 1.00 1.00 C ATOM 0 H VAL A 64 -7.523 -1.004 2.818 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.755 -2.052 3.259 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.999 -3.511 1.913 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -7.341 -2.771 -0.036 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.915 -2.014 1.469 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -6.925 -1.079 0.323 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -4.938 -3.306 -0.335 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -4.499 -1.621 0.032 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -3.771 -2.953 0.962 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.515 -0.174 2.074 1.00 1.00 N ATOM 1085 CA VAL A 65 -2.852 1.050 1.550 1.00 1.00 C ATOM 1086 C VAL A 65 -1.542 0.701 0.834 1.00 1.00 C ATOM 1087 O VAL A 65 -0.751 -0.095 1.311 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.585 2.001 2.742 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -1.126 1.918 3.209 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.884 3.438 2.331 1.00 1.00 C ATOM 0 H VAL A 65 -2.888 -0.876 2.467 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.499 1.536 0.820 1.00 1.00 H new ATOM 0 HB VAL A 65 -3.235 1.695 3.562 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -0.973 2.598 4.047 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -0.902 0.899 3.523 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -0.465 2.198 2.389 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -2.695 4.104 3.173 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.243 3.718 1.495 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -3.929 3.521 2.031 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.282 1.347 -0.276 1.00 1.00 N ATOM 1101 CA ILE A 66 0.013 1.118 -0.992 1.00 1.00 C ATOM 1102 C ILE A 66 0.908 2.288 -0.578 1.00 1.00 C ATOM 1103 O ILE A 66 0.407 3.385 -0.342 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.190 1.083 -2.518 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -0.552 2.477 -3.041 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.318 0.106 -2.859 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.674 3.109 -3.706 1.00 1.00 C ATOM 0 H ILE A 66 -1.908 2.021 -0.717 1.00 1.00 H new ATOM 0 HA ILE A 66 0.455 0.156 -0.732 1.00 1.00 H new ATOM 0 HB ILE A 66 0.738 0.758 -2.989 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -1.371 2.407 -3.757 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -0.898 3.106 -2.221 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.463 0.080 -3.939 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.056 -0.891 -2.504 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -2.240 0.432 -2.377 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.416 4.101 -4.078 1.00 1.00 H new ATOM 0 HD12 ILE A 66 1.480 3.193 -2.977 1.00 1.00 H new ATOM 0 HD13 ILE A 66 1.000 2.484 -4.537 1.00 1.00 H new ATOM 1119 N VAL A 67 2.196 2.084 -0.395 1.00 1.00 N ATOM 1120 CA VAL A 67 3.014 3.229 0.109 1.00 1.00 C ATOM 1121 C VAL A 67 4.404 3.358 -0.536 1.00 1.00 C ATOM 1122 O VAL A 67 5.002 2.408 -1.036 1.00 1.00 O ATOM 1123 CB VAL A 67 3.181 3.091 1.642 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.193 2.060 2.203 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.603 2.636 1.986 1.00 1.00 C ATOM 0 H VAL A 67 2.696 1.211 -0.565 1.00 1.00 H new ATOM 0 HA VAL A 67 2.470 4.133 -0.165 1.00 1.00 H new ATOM 0 HB VAL A 67 2.985 4.067 2.086 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.326 1.978 3.282 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.173 2.378 1.987 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.377 1.091 1.740 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.704 2.544 3.067 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.799 1.670 1.520 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.319 3.370 1.616 1.00 1.00 H new ATOM 1135 N LYS A 68 4.922 4.565 -0.420 1.00 1.00 N ATOM 1136 CA LYS A 68 6.284 4.915 -0.896 1.00 1.00 C ATOM 1137 C LYS A 68 7.210 4.886 0.328 1.00 1.00 C ATOM 1138 O LYS A 68 6.740 5.115 1.429 1.00 1.00 O ATOM 1139 CB LYS A 68 6.269 6.322 -1.507 1.00 1.00 C ATOM 1140 CG LYS A 68 6.711 6.258 -2.973 1.00 1.00 C ATOM 1141 CD LYS A 68 6.634 7.658 -3.595 1.00 1.00 C ATOM 1142 CE LYS A 68 7.665 8.583 -2.937 1.00 1.00 C ATOM 1143 NZ LYS A 68 9.042 8.064 -3.182 1.00 1.00 N ATOM 0 H LYS A 68 4.424 5.347 0.006 1.00 1.00 H new ATOM 0 HA LYS A 68 6.627 4.214 -1.657 1.00 1.00 H new ATOM 0 HB2 LYS A 68 5.268 6.747 -1.438 1.00 1.00 H new ATOM 0 HB3 LYS A 68 6.934 6.979 -0.946 1.00 1.00 H new ATOM 0 HG2 LYS A 68 7.729 5.875 -3.040 1.00 1.00 H new ATOM 0 HG3 LYS A 68 6.074 5.568 -3.526 1.00 1.00 H new ATOM 0 HD2 LYS A 68 6.819 7.599 -4.668 1.00 1.00 H new ATOM 0 HD3 LYS A 68 5.632 8.067 -3.466 1.00 1.00 H new ATOM 0 HE2 LYS A 68 7.570 9.592 -3.339 1.00 1.00 H new ATOM 0 HE3 LYS A 68 7.477 8.648 -1.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 9.728 8.839 -3.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 9.259 7.316 -2.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 9.100 7.676 -4.145 1.00 1.00 H new ATOM 1157 N PRO A 69 8.479 4.597 0.118 1.00 1.00 N ATOM 1158 CA PRO A 69 9.464 4.503 1.219 1.00 1.00 C ATOM 1159 C PRO A 69 10.142 5.852 1.506 1.00 1.00 C ATOM 1160 O PRO A 69 10.435 6.629 0.613 1.00 1.00 O ATOM 1161 CB PRO A 69 10.501 3.533 0.659 1.00 1.00 C ATOM 1162 CG PRO A 69 10.387 3.608 -0.890 1.00 1.00 C ATOM 1163 CD PRO A 69 9.042 4.293 -1.211 1.00 1.00 C ATOM 0 HA PRO A 69 9.002 4.193 2.156 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.504 3.806 0.988 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.314 2.519 1.013 1.00 1.00 H new ATOM 0 HG2 PRO A 69 11.218 4.174 -1.311 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.426 2.611 -1.328 1.00 1.00 H new ATOM 0 HD2 PRO A 69 9.184 5.198 -1.802 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.386 3.638 -1.784 1.00 1.00 H new ATOM 1171 N TRP A 70 10.360 6.124 2.773 1.00 1.00 N ATOM 1172 CA TRP A 70 10.982 7.410 3.215 1.00 1.00 C ATOM 1173 C TRP A 70 12.244 7.079 4.003 1.00 1.00 C ATOM 1174 O TRP A 70 12.141 6.440 5.055 1.00 1.00 O ATOM 1175 CB TRP A 70 10.088 8.162 4.195 1.00 1.00 C ATOM 1176 CG TRP A 70 8.995 8.745 3.477 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.336 8.112 2.524 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.397 10.043 3.635 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.374 8.913 2.071 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.355 10.127 2.718 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.651 11.145 4.472 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.575 11.250 2.613 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.861 12.298 4.372 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.817 12.350 3.440 1.00 1.00 C ATOM 0 H TRP A 70 10.125 5.489 3.536 1.00 1.00 H new ATOM 0 HA TRP A 70 11.162 8.012 2.324 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.715 7.483 4.962 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.659 8.937 4.706 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.543 7.112 2.171 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.724 8.656 1.328 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.455 11.102 5.192 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.773 11.284 1.891 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 8.057 13.145 5.013 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.203 13.235 3.361 1.00 1.00 H new ATOM 1262 N GLN A 76 10.572 4.038 9.322 1.00 1.00 N ATOM 1263 CA GLN A 76 10.416 4.540 7.926 1.00 1.00 C ATOM 1264 C GLN A 76 9.162 5.393 7.796 1.00 1.00 C ATOM 1265 O GLN A 76 8.204 5.245 8.534 1.00 1.00 O ATOM 1266 CB GLN A 76 10.326 3.362 6.956 1.00 1.00 C ATOM 1267 CG GLN A 76 11.647 3.213 6.193 1.00 1.00 C ATOM 1268 CD GLN A 76 12.821 3.199 7.178 1.00 1.00 C ATOM 1269 OE1 GLN A 76 12.957 2.288 7.972 1.00 1.00 O ATOM 1270 NE2 GLN A 76 13.680 4.181 7.160 1.00 1.00 N ATOM 0 HA GLN A 76 11.286 5.151 7.685 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.106 2.445 7.503 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.506 3.519 6.255 1.00 1.00 H new ATOM 0 HG2 GLN A 76 11.639 2.291 5.611 1.00 1.00 H new ATOM 0 HG3 GLN A 76 11.764 4.035 5.487 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.567 4.946 6.494 1.00 1.00 H new ATOM 0 HE22 GLN A 76 14.465 4.184 7.812 1.00 1.00 H new ATOM 1279 N LYS A 77 9.161 6.263 6.825 1.00 1.00 N ATOM 1280 CA LYS A 77 7.950 7.123 6.579 1.00 1.00 C ATOM 1281 C LYS A 77 7.366 6.702 5.243 1.00 1.00 C ATOM 1282 O LYS A 77 8.068 6.148 4.427 1.00 1.00 O ATOM 1283 CB LYS A 77 8.341 8.606 6.570 1.00 1.00 C ATOM 1284 CG LYS A 77 8.033 9.222 7.939 1.00 1.00 C ATOM 1285 CD LYS A 77 9.125 10.229 8.314 1.00 1.00 C ATOM 1286 CE LYS A 77 9.065 10.517 9.818 1.00 1.00 C ATOM 1287 NZ LYS A 77 8.017 11.542 10.094 1.00 1.00 N ATOM 0 H LYS A 77 9.941 6.422 6.187 1.00 1.00 H new ATOM 0 HA LYS A 77 7.212 6.993 7.370 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.401 8.712 6.341 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.792 9.133 5.790 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.062 9.717 7.915 1.00 1.00 H new ATOM 0 HG3 LYS A 77 7.973 8.439 8.695 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.105 9.833 8.048 1.00 1.00 H new ATOM 0 HD3 LYS A 77 8.991 11.153 7.751 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.843 9.600 10.365 1.00 1.00 H new ATOM 0 HE3 LYS A 77 10.034 10.871 10.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.980 11.734 11.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 8.247 12.419 9.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 7.093 11.188 9.775 1.00 1.00 H new ATOM 1301 N CYS A 78 6.108 6.891 4.993 1.00 1.00 N ATOM 1302 CA CYS A 78 5.584 6.437 3.673 1.00 1.00 C ATOM 1303 C CYS A 78 4.501 7.366 3.146 1.00 1.00 C ATOM 1304 O CYS A 78 3.768 7.978 3.903 1.00 1.00 O ATOM 1305 CB CYS A 78 5.023 5.019 3.805 1.00 1.00 C ATOM 1306 SG CYS A 78 3.843 4.936 5.172 1.00 1.00 S ATOM 0 H CYS A 78 5.432 7.326 5.621 1.00 1.00 H new ATOM 0 HA CYS A 78 6.410 6.450 2.962 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.535 4.726 2.876 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.836 4.313 3.974 1.00 1.00 H new ATOM 0 HG CYS A 78 3.075 3.898 5.020 1.00 1.00 H new ATOM 1312 N ASP A 79 4.344 7.413 1.844 1.00 1.00 N ATOM 1313 CA ASP A 79 3.230 8.239 1.264 1.00 1.00 C ATOM 1314 C ASP A 79 2.138 7.221 0.965 1.00 1.00 C ATOM 1315 O ASP A 79 2.385 6.259 0.256 1.00 1.00 O ATOM 1316 CB ASP A 79 3.696 8.946 -0.020 1.00 1.00 C ATOM 1317 CG ASP A 79 2.488 9.332 -0.886 1.00 1.00 C ATOM 1318 OD1 ASP A 79 1.913 10.379 -0.638 1.00 1.00 O ATOM 1319 OD2 ASP A 79 2.160 8.572 -1.785 1.00 1.00 O ATOM 0 H ASP A 79 4.927 6.924 1.165 1.00 1.00 H new ATOM 0 HA ASP A 79 2.890 9.028 1.935 1.00 1.00 H new ATOM 0 HB2 ASP A 79 4.268 9.838 0.235 1.00 1.00 H new ATOM 0 HB3 ASP A 79 4.361 8.291 -0.583 1.00 1.00 H new ATOM 1324 N ILE A 80 0.978 7.338 1.554 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.023 6.249 1.336 1.00 1.00 C ATOM 1326 C ILE A 80 -1.339 6.688 0.712 1.00 1.00 C ATOM 1327 O ILE A 80 -1.845 7.774 0.933 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.345 5.579 2.676 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.434 6.632 3.789 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.748 4.573 3.007 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -1.303 6.104 4.931 1.00 1.00 C ATOM 0 H ILE A 80 0.685 8.108 2.155 1.00 1.00 H new ATOM 0 HA ILE A 80 0.450 5.573 0.624 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.305 5.069 2.601 1.00 1.00 H new ATOM 0 HG12 ILE A 80 0.564 6.870 4.158 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -0.857 7.556 3.395 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.524 4.093 3.960 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.797 3.818 2.223 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.707 5.087 3.076 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -1.364 6.855 5.719 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.304 5.889 4.557 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -0.862 5.192 5.332 1.00 1.00 H new ATOM 1343 N ILE A 81 -1.922 5.755 0.000 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.270 5.948 -0.609 1.00 1.00 C ATOM 1345 C ILE A 81 -4.104 4.755 -0.125 1.00 1.00 C ATOM 1346 O ILE A 81 -3.740 3.604 -0.344 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.199 5.986 -2.146 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -2.304 4.860 -2.666 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -2.628 7.334 -2.597 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -2.690 4.520 -4.109 1.00 1.00 C ATOM 0 H ILE A 81 -1.505 4.843 -0.188 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.708 6.901 -0.312 1.00 1.00 H new ATOM 0 HB ILE A 81 -4.204 5.855 -2.547 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -1.258 5.163 -2.621 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -2.408 3.978 -2.034 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -2.577 7.362 -3.685 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.272 8.139 -2.243 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -1.627 7.462 -2.184 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -2.051 3.717 -4.477 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -3.731 4.198 -4.141 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -2.563 5.402 -4.737 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.170 5.014 0.596 1.00 1.00 N ATOM 1363 CA TRP A 82 -5.985 3.892 1.181 1.00 1.00 C ATOM 1364 C TRP A 82 -7.306 3.673 0.444 1.00 1.00 C ATOM 1365 O TRP A 82 -7.811 4.538 -0.252 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.289 4.172 2.663 1.00 1.00 C ATOM 1367 CG TRP A 82 -6.537 5.629 2.869 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -5.580 6.536 3.155 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -7.792 6.362 2.797 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -6.165 7.785 3.260 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -7.529 7.728 3.051 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.121 5.978 2.541 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -8.546 8.679 3.050 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -10.148 6.934 2.539 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -9.860 8.283 2.793 1.00 1.00 C ATOM 0 H TRP A 82 -5.513 5.951 0.806 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.385 2.988 1.075 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -7.161 3.599 2.978 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.453 3.846 3.282 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -4.529 6.322 3.281 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -5.652 8.642 3.466 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.352 4.941 2.345 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -8.320 9.717 3.247 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.165 6.630 2.341 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -10.654 9.015 2.790 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.864 2.497 0.627 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.164 2.128 -0.009 1.00 1.00 C ATOM 1388 C ARG A 83 -9.521 0.687 0.397 1.00 1.00 C ATOM 1389 O ARG A 83 -8.823 0.069 1.184 1.00 1.00 O ATOM 1390 CB ARG A 83 -9.039 2.216 -1.535 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.131 3.133 -2.087 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.936 3.314 -3.592 1.00 1.00 C ATOM 1393 NE ARG A 83 -10.828 4.402 -4.084 1.00 1.00 N ATOM 1394 CZ ARG A 83 -12.066 4.136 -4.407 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -12.998 4.151 -3.489 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.370 3.853 -5.647 1.00 1.00 N ATOM 0 H ARG A 83 -7.459 1.762 1.206 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.945 2.813 0.322 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.056 2.599 -1.808 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -9.127 1.223 -1.975 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -11.114 2.707 -1.886 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.095 4.101 -1.586 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.896 3.557 -3.808 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.160 2.383 -4.113 1.00 1.00 H new ATOM 0 HE ARG A 83 -10.472 5.354 -4.169 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -12.758 4.370 -2.522 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -13.965 3.944 -3.740 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.641 3.840 -6.361 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.336 3.645 -5.901 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.414 -5.859 -0.155 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.922 -6.031 -0.095 1.00 1.00 C ATOM 1500 C VAL A 89 -2.520 -7.367 -0.742 1.00 1.00 C ATOM 1501 O VAL A 89 -1.512 -7.448 -1.420 1.00 1.00 O ATOM 1502 CB VAL A 89 -2.458 -6.011 1.370 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -0.946 -6.243 1.437 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -2.785 -4.652 1.999 1.00 1.00 C ATOM 0 HA VAL A 89 -2.448 -5.213 -0.638 1.00 1.00 H new ATOM 0 HB VAL A 89 -2.974 -6.801 1.916 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.621 -6.228 2.477 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.706 -7.211 0.996 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.432 -5.456 0.885 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.454 -4.643 3.038 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.273 -3.863 1.448 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.861 -4.482 1.959 1.00 1.00 H new ATOM 1514 N GLU A 90 -3.301 -8.408 -0.538 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.971 -9.740 -1.142 1.00 1.00 C ATOM 1516 C GLU A 90 -2.875 -9.608 -2.668 1.00 1.00 C ATOM 1517 O GLU A 90 -1.962 -10.130 -3.281 1.00 1.00 O ATOM 1518 CB GLU A 90 -4.064 -10.754 -0.784 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.425 -12.117 -0.486 1.00 1.00 C ATOM 1520 CD GLU A 90 -2.798 -12.694 -1.762 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -3.543 -13.158 -2.611 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -1.581 -12.664 -1.868 1.00 1.00 O ATOM 0 H GLU A 90 -4.153 -8.390 0.022 1.00 1.00 H new ATOM 0 HA GLU A 90 -2.014 -10.084 -0.749 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.626 -10.407 0.083 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -4.773 -10.846 -1.607 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -2.664 -12.010 0.286 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -4.178 -12.804 -0.098 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.804 -8.906 -3.280 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.768 -8.724 -4.766 1.00 1.00 C ATOM 1531 C TRP A 91 -2.444 -8.060 -5.165 1.00 1.00 C ATOM 1532 O TRP A 91 -1.782 -8.492 -6.092 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.939 -7.839 -5.205 1.00 1.00 C ATOM 1534 CG TRP A 91 -4.964 -7.736 -6.697 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -5.677 -8.538 -7.520 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -4.256 -6.794 -7.557 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -5.453 -8.149 -8.829 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -4.584 -7.079 -8.903 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -3.370 -5.732 -7.301 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -4.051 -6.335 -9.957 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -2.833 -4.983 -8.359 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.173 -5.284 -9.685 1.00 1.00 C ATOM 0 H TRP A 91 -4.587 -8.451 -2.811 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.850 -9.696 -5.253 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.879 -8.258 -4.844 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -4.842 -6.847 -4.764 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -6.317 -9.350 -7.207 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.878 -8.598 -9.640 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -3.101 -5.491 -6.283 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -4.316 -6.571 -10.977 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -2.154 -4.170 -8.150 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -2.756 -4.704 -10.495 1.00 1.00 H new ATOM 1553 N LEU A 92 -2.055 -7.016 -4.465 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.769 -6.318 -4.789 1.00 1.00 C ATOM 1555 C LEU A 92 0.409 -7.277 -4.563 1.00 1.00 C ATOM 1556 O LEU A 92 1.388 -7.246 -5.289 1.00 1.00 O ATOM 1557 CB LEU A 92 -0.610 -5.090 -3.886 1.00 1.00 C ATOM 1558 CG LEU A 92 -1.614 -4.010 -4.304 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -2.325 -3.464 -3.063 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.876 -2.871 -5.010 1.00 1.00 C ATOM 0 H LEU A 92 -2.575 -6.618 -3.683 1.00 1.00 H new ATOM 0 HA LEU A 92 -0.783 -6.002 -5.832 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.773 -5.368 -2.845 1.00 1.00 H new ATOM 0 HB3 LEU A 92 0.406 -4.703 -3.957 1.00 1.00 H new ATOM 0 HG LEU A 92 -2.349 -4.443 -4.983 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.039 -2.696 -3.361 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.853 -4.274 -2.560 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.590 -3.032 -2.383 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.591 -2.103 -5.307 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -0.140 -2.439 -4.332 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.371 -3.258 -5.895 1.00 1.00 H new ATOM 1572 N LYS A 93 0.316 -8.132 -3.568 1.00 1.00 N ATOM 1573 CA LYS A 93 1.417 -9.106 -3.287 1.00 1.00 C ATOM 1574 C LYS A 93 1.551 -10.082 -4.463 1.00 1.00 C ATOM 1575 O LYS A 93 2.634 -10.288 -4.985 1.00 1.00 O ATOM 1576 CB LYS A 93 1.092 -9.886 -2.008 1.00 1.00 C ATOM 1577 CG LYS A 93 1.993 -9.401 -0.867 1.00 1.00 C ATOM 1578 CD LYS A 93 1.131 -8.796 0.242 1.00 1.00 C ATOM 1579 CE LYS A 93 2.032 -8.130 1.285 1.00 1.00 C ATOM 1580 NZ LYS A 93 2.491 -6.803 0.781 1.00 1.00 N ATOM 0 H LYS A 93 -0.482 -8.195 -2.936 1.00 1.00 H new ATOM 0 HA LYS A 93 2.355 -8.567 -3.156 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.044 -9.747 -1.742 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.240 -10.953 -2.173 1.00 1.00 H new ATOM 0 HG2 LYS A 93 2.579 -10.232 -0.474 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.700 -8.659 -1.238 1.00 1.00 H new ATOM 0 HD2 LYS A 93 0.441 -8.064 -0.178 1.00 1.00 H new ATOM 0 HD3 LYS A 93 0.526 -9.572 0.711 1.00 1.00 H new ATOM 0 HE2 LYS A 93 1.489 -8.006 2.222 1.00 1.00 H new ATOM 0 HE3 LYS A 93 2.891 -8.766 1.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 3.496 -6.860 0.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 1.929 -6.535 -0.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 2.369 -6.087 1.526 1.00 1.00 H new ATOM 1594 N ARG A 94 0.452 -10.674 -4.887 1.00 1.00 N ATOM 1595 CA ARG A 94 0.493 -11.634 -6.039 1.00 1.00 C ATOM 1596 C ARG A 94 1.139 -10.950 -7.249 1.00 1.00 C ATOM 1597 O ARG A 94 1.925 -11.547 -7.964 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.932 -12.066 -6.400 1.00 1.00 C ATOM 1599 CG ARG A 94 -1.554 -12.827 -5.225 1.00 1.00 C ATOM 1600 CD ARG A 94 -2.324 -14.043 -5.747 1.00 1.00 C ATOM 1601 NE ARG A 94 -3.502 -13.587 -6.541 1.00 1.00 N ATOM 1602 CZ ARG A 94 -4.068 -14.400 -7.394 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -3.461 -14.699 -8.513 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -5.242 -14.912 -7.127 1.00 1.00 N ATOM 0 H ARG A 94 -0.473 -10.531 -4.481 1.00 1.00 H new ATOM 0 HA ARG A 94 1.077 -12.511 -5.759 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.537 -11.192 -6.641 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.917 -12.698 -7.288 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.775 -13.147 -4.533 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -2.224 -12.172 -4.669 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.673 -14.660 -6.366 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -2.653 -14.663 -4.913 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.865 -12.642 -6.418 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -2.546 -14.298 -8.720 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -3.902 -15.333 -9.179 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.714 -14.677 -6.254 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -5.685 -15.546 -7.792 1.00 1.00 H new ATOM 1618 N LYS A 95 0.816 -9.696 -7.465 1.00 1.00 N ATOM 1619 CA LYS A 95 1.401 -8.936 -8.610 1.00 1.00 C ATOM 1620 C LYS A 95 2.924 -8.816 -8.441 1.00 1.00 C ATOM 1621 O LYS A 95 3.656 -8.807 -9.414 1.00 1.00 O ATOM 1622 CB LYS A 95 0.778 -7.537 -8.658 1.00 1.00 C ATOM 1623 CG LYS A 95 1.242 -6.809 -9.923 1.00 1.00 C ATOM 1624 CD LYS A 95 0.240 -5.708 -10.283 1.00 1.00 C ATOM 1625 CE LYS A 95 0.482 -4.483 -9.395 1.00 1.00 C ATOM 1626 NZ LYS A 95 1.458 -3.569 -10.056 1.00 1.00 N ATOM 0 H LYS A 95 0.164 -9.163 -6.889 1.00 1.00 H new ATOM 0 HA LYS A 95 1.189 -9.466 -9.539 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -0.309 -7.612 -8.648 1.00 1.00 H new ATOM 0 HB3 LYS A 95 1.067 -6.969 -7.773 1.00 1.00 H new ATOM 0 HG2 LYS A 95 2.230 -6.377 -9.764 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.332 -7.515 -10.748 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.346 -5.435 -11.333 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.779 -6.071 -10.149 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -0.457 -3.960 -9.216 1.00 1.00 H new ATOM 0 HE3 LYS A 95 0.863 -4.796 -8.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 1.620 -2.739 -9.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 2.357 -4.070 -10.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.078 -3.260 -10.973 1.00 1.00 H new ATOM 1640 N GLY A 96 3.405 -8.718 -7.219 1.00 1.00 N ATOM 1641 CA GLY A 96 4.878 -8.593 -6.992 1.00 1.00 C ATOM 1642 C GLY A 96 5.592 -9.881 -7.418 1.00 1.00 C ATOM 1643 O GLY A 96 6.677 -9.840 -7.967 1.00 1.00 O ATOM 0 H GLY A 96 2.837 -8.720 -6.372 1.00 1.00 H new ATOM 0 HA2 GLY A 96 5.270 -7.748 -7.558 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.075 -8.391 -5.939 1.00 1.00 H new ATOM 1647 N TYR A 97 4.995 -11.020 -7.151 1.00 1.00 N ATOM 1648 CA TYR A 97 5.637 -12.327 -7.517 1.00 1.00 C ATOM 1649 C TYR A 97 5.731 -12.478 -9.040 1.00 1.00 C ATOM 1650 O TYR A 97 6.798 -12.728 -9.573 1.00 1.00 O ATOM 1651 CB TYR A 97 4.824 -13.494 -6.934 1.00 1.00 C ATOM 1652 CG TYR A 97 4.364 -13.148 -5.536 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.252 -12.549 -4.632 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.046 -13.410 -5.152 1.00 1.00 C ATOM 1655 CE1 TYR A 97 4.821 -12.214 -3.345 1.00 1.00 C ATOM 1656 CE2 TYR A 97 2.613 -13.074 -3.864 1.00 1.00 C ATOM 1657 CZ TYR A 97 3.501 -12.476 -2.960 1.00 1.00 C ATOM 1658 OH TYR A 97 3.077 -12.151 -1.688 1.00 1.00 O ATOM 0 H TYR A 97 4.087 -11.102 -6.694 1.00 1.00 H new ATOM 0 HA TYR A 97 6.644 -12.341 -7.100 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.963 -13.703 -7.569 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.432 -14.399 -6.914 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.270 -12.346 -4.930 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.362 -13.872 -5.849 1.00 1.00 H new ATOM 0 HE1 TYR A 97 5.506 -11.753 -2.648 1.00 1.00 H new ATOM 0 HE2 TYR A 97 1.594 -13.276 -3.567 1.00 1.00 H new ATOM 0 HH TYR A 97 3.837 -11.824 -1.163 1.00 1.00 H new ATOM 1668 N LEU A 98 4.628 -12.338 -9.744 1.00 1.00 N ATOM 1669 CA LEU A 98 4.661 -12.483 -11.236 1.00 1.00 C ATOM 1670 C LEU A 98 5.560 -11.401 -11.851 1.00 1.00 C ATOM 1671 O LEU A 98 6.290 -11.658 -12.792 1.00 1.00 O ATOM 1672 CB LEU A 98 3.240 -12.383 -11.817 1.00 1.00 C ATOM 1673 CG LEU A 98 2.567 -11.071 -11.392 1.00 1.00 C ATOM 1674 CD1 LEU A 98 2.651 -10.055 -12.536 1.00 1.00 C ATOM 1675 CD2 LEU A 98 1.095 -11.342 -11.061 1.00 1.00 C ATOM 0 H LEU A 98 3.710 -12.130 -9.350 1.00 1.00 H new ATOM 0 HA LEU A 98 5.069 -13.464 -11.481 1.00 1.00 H new ATOM 0 HB2 LEU A 98 3.283 -12.439 -12.905 1.00 1.00 H new ATOM 0 HB3 LEU A 98 2.643 -13.229 -11.477 1.00 1.00 H new ATOM 0 HG LEU A 98 3.074 -10.670 -10.514 1.00 1.00 H new ATOM 0 HD11 LEU A 98 2.172 -9.124 -12.232 1.00 1.00 H new ATOM 0 HD12 LEU A 98 3.697 -9.864 -12.777 1.00 1.00 H new ATOM 0 HD13 LEU A 98 2.144 -10.454 -13.415 1.00 1.00 H new ATOM 0 HD21 LEU A 98 0.613 -10.412 -10.758 1.00 1.00 H new ATOM 0 HD22 LEU A 98 0.592 -11.742 -11.941 1.00 1.00 H new ATOM 0 HD23 LEU A 98 1.032 -12.065 -10.247 1.00 1.00 H new ATOM 1687 N ASP A 99 5.518 -10.199 -11.321 1.00 1.00 N ATOM 1688 CA ASP A 99 6.375 -9.099 -11.864 1.00 1.00 C ATOM 1689 C ASP A 99 7.855 -9.424 -11.617 1.00 1.00 C ATOM 1690 O ASP A 99 8.684 -9.274 -12.495 1.00 1.00 O ATOM 1691 CB ASP A 99 6.023 -7.780 -11.166 1.00 1.00 C ATOM 1692 CG ASP A 99 6.511 -6.602 -12.015 1.00 1.00 C ATOM 1693 OD1 ASP A 99 5.751 -6.148 -12.856 1.00 1.00 O ATOM 1694 OD2 ASP A 99 7.634 -6.172 -11.808 1.00 1.00 O ATOM 0 H ASP A 99 4.925 -9.934 -10.534 1.00 1.00 H new ATOM 0 HA ASP A 99 6.198 -9.004 -12.935 1.00 1.00 H new ATOM 0 HB2 ASP A 99 4.945 -7.712 -11.017 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.484 -7.745 -10.179 1.00 1.00 H new ATOM 1699 N GLU A 100 8.183 -9.866 -10.423 1.00 1.00 N ATOM 1700 CA GLU A 100 9.604 -10.204 -10.091 1.00 1.00 C ATOM 1701 C GLU A 100 10.075 -11.397 -10.934 1.00 1.00 C ATOM 1702 O GLU A 100 11.227 -11.469 -11.323 1.00 1.00 O ATOM 1703 CB GLU A 100 9.708 -10.558 -8.604 1.00 1.00 C ATOM 1704 CG GLU A 100 11.161 -10.414 -8.140 1.00 1.00 C ATOM 1705 CD GLU A 100 11.210 -10.341 -6.611 1.00 1.00 C ATOM 1706 OE1 GLU A 100 11.314 -11.387 -5.989 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.142 -9.241 -6.086 1.00 1.00 O ATOM 0 H GLU A 100 7.521 -10.007 -9.660 1.00 1.00 H new ATOM 0 HA GLU A 100 10.235 -9.343 -10.311 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.062 -9.904 -8.018 1.00 1.00 H new ATOM 0 HB3 GLU A 100 9.362 -11.578 -8.438 1.00 1.00 H new ATOM 0 HG2 GLU A 100 11.751 -11.260 -8.492 1.00 1.00 H new ATOM 0 HG3 GLU A 100 11.603 -9.516 -8.571 1.00 1.00 H new