USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 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 68 MET CE :methyl -143:sc= -0.0759 (180deg=-0.358) USER MOD Set 1.2: A 74 CYS SG : rot 115:sc= 0.388 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 167:sc= 2.07 (180deg=1.08) USER MOD Set 2.2: A 62 THR OG1 : rot -177:sc= 0.803 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 143:sc= -0.574 (180deg=-2.7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 73:sc= 1.31 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.205 (180deg=-0.318) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 2.32 (180deg=1.62) USER MOD Single : A 78 MET CE :methyl -134:sc= -0.121 (180deg=-0.4) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.871) USER MOD Single : A 98 SER OG : rot 180:sc= 0.75 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 110 GLN : amide:sc= 1.29 K(o=1.3,f=-0.13) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -2.057 -7.909 12.799 1.00 0.00 N ATOM 281 CA ILE A 18 -3.026 -7.617 11.745 1.00 0.00 C ATOM 282 C ILE A 18 -3.912 -8.844 11.488 1.00 0.00 C ATOM 283 O ILE A 18 -5.127 -8.690 11.358 1.00 0.00 O ATOM 284 CB ILE A 18 -2.309 -7.101 10.468 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.383 -5.906 10.817 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.326 -6.681 9.390 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.723 -5.217 9.616 1.00 0.00 C ATOM 0 HA ILE A 18 -3.687 -6.813 12.069 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.706 -7.917 10.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.964 -5.165 11.366 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.600 -6.258 11.489 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.795 -6.324 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.944 -7.537 9.120 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.960 -5.884 9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.097 -4.396 9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.108 -5.937 9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.494 -4.827 8.951 1.00 0.00 H new ATOM 299 N ILE A 19 -3.336 -10.054 11.448 1.00 0.00 N ATOM 300 CA ILE A 19 -4.042 -11.259 10.999 1.00 0.00 C ATOM 301 C ILE A 19 -3.907 -12.445 11.974 1.00 0.00 C ATOM 302 O ILE A 19 -4.110 -13.588 11.576 1.00 0.00 O ATOM 303 CB ILE A 19 -3.609 -11.601 9.562 1.00 0.00 C ATOM 304 CG1 ILE A 19 -2.090 -11.836 9.518 1.00 0.00 C ATOM 305 CG2 ILE A 19 -4.048 -10.511 8.559 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.706 -12.641 8.293 1.00 0.00 C ATOM 0 H ILE A 19 -2.369 -10.223 11.726 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.111 -11.045 10.993 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.110 -12.520 9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.569 -10.878 9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.772 -12.362 10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.724 -10.788 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.134 -10.416 8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.596 -9.559 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.627 -12.795 8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.210 -13.607 8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.004 -12.101 7.394 1.00 0.00 H new ATOM 318 N VAL A 20 -3.564 -12.199 13.242 1.00 0.00 N ATOM 319 CA VAL A 20 -3.268 -13.239 14.236 1.00 0.00 C ATOM 320 C VAL A 20 -4.323 -14.356 14.333 1.00 0.00 C ATOM 321 O VAL A 20 -3.957 -15.524 14.482 1.00 0.00 O ATOM 322 CB VAL A 20 -2.968 -12.564 15.593 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.210 -11.923 16.232 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.328 -13.541 16.586 1.00 0.00 C ATOM 0 H VAL A 20 -3.482 -11.253 13.615 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.382 -13.776 13.897 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.259 -11.767 15.368 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.935 -11.465 17.182 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.610 -11.160 15.564 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.967 -12.688 16.403 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.133 -13.027 17.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.005 -14.377 16.762 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.390 -13.915 16.175 1.00 0.00 H new ATOM 334 N ASP A 21 -5.615 -14.028 14.212 1.00 0.00 N ATOM 335 CA ASP A 21 -6.726 -14.989 14.327 1.00 0.00 C ATOM 336 C ASP A 21 -7.405 -15.233 12.961 1.00 0.00 C ATOM 337 O ASP A 21 -8.385 -15.990 12.827 1.00 0.00 O ATOM 338 CB ASP A 21 -7.722 -14.457 15.367 1.00 0.00 C ATOM 339 CG ASP A 21 -8.850 -15.456 15.677 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.559 -16.596 16.104 1.00 0.00 O ATOM 341 OD2 ASP A 21 -10.041 -15.086 15.557 1.00 0.00 O ATOM 0 H ASP A 21 -5.926 -13.074 14.029 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.342 -15.955 14.654 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.188 -14.222 16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.157 -13.526 15.004 1.00 0.00 H new ATOM 346 N ALA A 22 -6.864 -14.560 11.936 1.00 0.00 N ATOM 347 CA ALA A 22 -7.433 -14.447 10.615 1.00 0.00 C ATOM 348 C ALA A 22 -6.720 -15.375 9.644 1.00 0.00 C ATOM 349 O ALA A 22 -5.501 -15.324 9.463 1.00 0.00 O ATOM 350 CB ALA A 22 -7.340 -13.008 10.111 1.00 0.00 C ATOM 0 H ALA A 22 -5.978 -14.062 12.024 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.483 -14.735 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.774 -12.943 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.885 -12.350 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.294 -12.703 10.072 1.00 0.00 H new ATOM 356 N GLU A 23 -7.530 -16.152 8.947 1.00 0.00 N ATOM 357 CA GLU A 23 -7.139 -17.000 7.822 1.00 0.00 C ATOM 358 C GLU A 23 -8.287 -17.323 6.873 1.00 0.00 C ATOM 359 O GLU A 23 -8.055 -17.691 5.720 1.00 0.00 O ATOM 360 CB GLU A 23 -6.424 -18.254 8.315 1.00 0.00 C ATOM 361 CG GLU A 23 -7.247 -19.479 8.730 1.00 0.00 C ATOM 362 CD GLU A 23 -7.952 -19.344 10.087 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.474 -18.647 11.006 1.00 0.00 O ATOM 364 OE2 GLU A 23 -9.034 -19.939 10.281 1.00 0.00 O ATOM 0 H GLU A 23 -8.526 -16.216 9.156 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.436 -16.421 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.741 -18.571 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.813 -17.966 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.997 -19.673 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.590 -20.348 8.761 1.00 0.00 H new ATOM 371 N ASP A 24 -9.521 -17.172 7.346 1.00 0.00 N ATOM 372 CA ASP A 24 -10.703 -17.219 6.511 1.00 0.00 C ATOM 373 C ASP A 24 -10.639 -15.900 5.734 1.00 0.00 C ATOM 374 O ASP A 24 -10.250 -14.868 6.294 1.00 0.00 O ATOM 375 CB ASP A 24 -11.971 -17.333 7.375 1.00 0.00 C ATOM 376 CG ASP A 24 -12.002 -18.583 8.286 1.00 0.00 C ATOM 377 OD1 ASP A 24 -12.339 -19.677 7.778 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.725 -18.485 9.512 1.00 0.00 O ATOM 0 H ASP A 24 -9.724 -17.012 8.333 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.739 -18.082 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.056 -16.441 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.843 -17.351 6.721 1.00 0.00 H new ATOM 383 N LYS A 25 -10.977 -15.903 4.443 1.00 0.00 N ATOM 384 CA LYS A 25 -10.719 -14.744 3.575 1.00 0.00 C ATOM 385 C LYS A 25 -11.361 -13.451 4.077 1.00 0.00 C ATOM 386 O LYS A 25 -10.774 -12.380 3.926 1.00 0.00 O ATOM 387 CB LYS A 25 -11.104 -15.052 2.122 1.00 0.00 C ATOM 388 CG LYS A 25 -12.612 -15.283 1.927 1.00 0.00 C ATOM 389 CD LYS A 25 -12.978 -15.644 0.481 1.00 0.00 C ATOM 390 CE LYS A 25 -12.349 -16.977 0.046 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.741 -17.360 -1.334 1.00 0.00 N ATOM 0 H LYS A 25 -11.428 -16.689 3.974 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.645 -14.563 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.785 -14.226 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.562 -15.938 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.941 -16.083 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.153 -14.383 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.062 -15.706 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.644 -14.850 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.263 -16.901 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.651 -17.762 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.293 -18.265 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.775 -17.459 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.430 -16.624 -2.000 1.00 0.00 H new ATOM 405 N GLU A 26 -12.540 -13.547 4.696 1.00 0.00 N ATOM 406 CA GLU A 26 -13.249 -12.388 5.216 1.00 0.00 C ATOM 407 C GLU A 26 -12.459 -11.797 6.382 1.00 0.00 C ATOM 408 O GLU A 26 -12.324 -10.580 6.483 1.00 0.00 O ATOM 409 CB GLU A 26 -14.666 -12.784 5.662 1.00 0.00 C ATOM 410 CG GLU A 26 -15.533 -13.280 4.495 1.00 0.00 C ATOM 411 CD GLU A 26 -16.966 -13.603 4.954 1.00 0.00 C ATOM 412 OE1 GLU A 26 -17.218 -14.732 5.434 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.865 -12.741 4.821 1.00 0.00 O ATOM 0 H GLU A 26 -13.025 -14.431 4.848 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.342 -11.636 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.600 -13.565 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.149 -11.926 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.563 -12.520 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.081 -14.170 4.057 1.00 0.00 H new ATOM 420 N GLU A 27 -11.883 -12.646 7.239 1.00 0.00 N ATOM 421 CA GLU A 27 -11.097 -12.199 8.377 1.00 0.00 C ATOM 422 C GLU A 27 -9.798 -11.585 7.893 1.00 0.00 C ATOM 423 O GLU A 27 -9.391 -10.551 8.413 1.00 0.00 O ATOM 424 CB GLU A 27 -10.716 -13.367 9.281 1.00 0.00 C ATOM 425 CG GLU A 27 -11.884 -14.211 9.773 1.00 0.00 C ATOM 426 CD GLU A 27 -11.342 -15.427 10.522 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.319 -16.027 10.101 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.917 -15.806 11.568 1.00 0.00 O ATOM 0 H GLU A 27 -11.953 -13.660 7.157 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.706 -11.480 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.023 -14.013 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.180 -12.977 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.525 -13.621 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.498 -14.531 8.931 1.00 0.00 H new ATOM 435 N ARG A 28 -9.133 -12.217 6.915 1.00 0.00 N ATOM 436 CA ARG A 28 -7.897 -11.668 6.357 1.00 0.00 C ATOM 437 C ARG A 28 -8.158 -10.256 5.841 1.00 0.00 C ATOM 438 O ARG A 28 -7.432 -9.330 6.206 1.00 0.00 O ATOM 439 CB ARG A 28 -7.371 -12.572 5.233 1.00 0.00 C ATOM 440 CG ARG A 28 -6.666 -13.840 5.740 1.00 0.00 C ATOM 441 CD ARG A 28 -5.180 -13.568 6.020 1.00 0.00 C ATOM 442 NE ARG A 28 -4.606 -14.588 6.908 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.829 -15.632 6.599 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.451 -15.897 5.350 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.453 -16.427 7.594 1.00 0.00 N ATOM 0 H ARG A 28 -9.430 -13.100 6.500 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.136 -11.624 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.204 -12.861 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.676 -12.003 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.153 -14.192 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.761 -14.634 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.629 -13.550 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.068 -12.583 6.474 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.831 -14.486 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.755 -15.293 4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.858 -16.704 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.757 -16.229 8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.860 -17.235 7.405 1.00 0.00 H new ATOM 459 N ALA A 29 -9.214 -10.088 5.044 1.00 0.00 N ATOM 460 CA ALA A 29 -9.581 -8.803 4.484 1.00 0.00 C ATOM 461 C ALA A 29 -9.872 -7.791 5.598 1.00 0.00 C ATOM 462 O ALA A 29 -9.324 -6.690 5.581 1.00 0.00 O ATOM 463 CB ALA A 29 -10.780 -9.012 3.556 1.00 0.00 C ATOM 0 H ALA A 29 -9.837 -10.849 4.772 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.757 -8.387 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.075 -8.057 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.507 -9.704 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.613 -9.424 4.125 1.00 0.00 H new ATOM 469 N MET A 30 -10.686 -8.160 6.593 1.00 0.00 N ATOM 470 CA MET A 30 -11.035 -7.260 7.689 1.00 0.00 C ATOM 471 C MET A 30 -9.830 -6.901 8.557 1.00 0.00 C ATOM 472 O MET A 30 -9.704 -5.740 8.940 1.00 0.00 O ATOM 473 CB MET A 30 -12.176 -7.840 8.531 1.00 0.00 C ATOM 474 CG MET A 30 -13.525 -7.829 7.796 1.00 0.00 C ATOM 475 SD MET A 30 -14.209 -6.200 7.360 1.00 0.00 S ATOM 476 CE MET A 30 -13.524 -5.928 5.698 1.00 0.00 C ATOM 0 H MET A 30 -11.116 -9.083 6.658 1.00 0.00 H new ATOM 0 HA MET A 30 -11.381 -6.330 7.239 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.929 -8.864 8.812 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.266 -7.268 9.455 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.417 -8.408 6.879 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.255 -8.348 8.417 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.264 -5.423 5.077 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.629 -5.310 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.268 -6.887 5.249 1.00 0.00 H new ATOM 486 N GLY A 31 -8.924 -7.840 8.835 1.00 0.00 N ATOM 487 CA GLY A 31 -7.730 -7.580 9.621 1.00 0.00 C ATOM 488 C GLY A 31 -6.887 -6.505 8.948 1.00 0.00 C ATOM 489 O GLY A 31 -6.568 -5.489 9.571 1.00 0.00 O ATOM 0 H GLY A 31 -9.004 -8.806 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.008 -7.260 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.149 -8.496 9.728 1.00 0.00 H new ATOM 493 N TRP A 32 -6.601 -6.682 7.653 1.00 0.00 N ATOM 494 CA TRP A 32 -5.897 -5.674 6.877 1.00 0.00 C ATOM 495 C TRP A 32 -6.643 -4.340 6.912 1.00 0.00 C ATOM 496 O TRP A 32 -6.032 -3.327 7.244 1.00 0.00 O ATOM 497 CB TRP A 32 -5.668 -6.165 5.443 1.00 0.00 C ATOM 498 CG TRP A 32 -4.473 -7.055 5.309 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.472 -8.391 5.115 1.00 0.00 C ATOM 500 CD2 TRP A 32 -3.071 -6.668 5.369 1.00 0.00 C ATOM 501 NE1 TRP A 32 -3.172 -8.852 5.057 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.262 -7.832 5.241 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.408 -5.434 5.503 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.860 -7.772 5.285 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.004 -5.356 5.524 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.231 -6.523 5.416 1.00 0.00 C ATOM 0 H TRP A 32 -6.850 -7.519 7.126 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.919 -5.506 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.553 -6.703 5.104 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.547 -5.304 4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.355 -9.006 5.020 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.916 -9.826 4.898 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.989 -4.528 5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.272 -8.676 5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.519 -4.396 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.847 -6.460 5.434 1.00 0.00 H new ATOM 517 N TYR A 33 -7.948 -4.342 6.633 1.00 0.00 N ATOM 518 CA TYR A 33 -8.763 -3.134 6.558 1.00 0.00 C ATOM 519 C TYR A 33 -8.697 -2.325 7.857 1.00 0.00 C ATOM 520 O TYR A 33 -8.453 -1.117 7.811 1.00 0.00 O ATOM 521 CB TYR A 33 -10.203 -3.541 6.203 1.00 0.00 C ATOM 522 CG TYR A 33 -11.274 -2.487 6.409 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.153 -1.214 5.826 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.400 -2.786 7.198 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.141 -0.238 6.042 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.383 -1.811 7.435 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.262 -0.529 6.851 1.00 0.00 C ATOM 528 OH TYR A 33 -14.204 0.432 7.072 1.00 0.00 O ATOM 0 H TYR A 33 -8.473 -5.197 6.451 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.374 -2.477 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.223 -3.848 5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.467 -4.416 6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.297 -0.985 5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.509 -3.772 7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.043 0.737 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.231 -2.041 8.063 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.910 0.071 7.648 1.00 0.00 H new ATOM 538 N TYR A 34 -8.881 -2.971 9.012 1.00 0.00 N ATOM 539 CA TYR A 34 -8.959 -2.284 10.292 1.00 0.00 C ATOM 540 C TYR A 34 -7.632 -1.600 10.622 1.00 0.00 C ATOM 541 O TYR A 34 -7.623 -0.415 10.959 1.00 0.00 O ATOM 542 CB TYR A 34 -9.333 -3.277 11.406 1.00 0.00 C ATOM 543 CG TYR A 34 -10.683 -3.983 11.327 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.718 -3.555 10.465 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.900 -5.095 12.165 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.957 -4.223 10.458 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.132 -5.771 12.157 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.171 -5.334 11.306 1.00 0.00 C ATOM 549 OH TYR A 34 -14.364 -5.994 11.309 1.00 0.00 O ATOM 0 H TYR A 34 -8.979 -3.984 9.080 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.733 -1.519 10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.559 -4.044 11.440 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.294 -2.742 12.355 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.558 -2.712 9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.111 -5.431 12.821 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.747 -3.886 9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.284 -6.624 12.801 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.328 -6.731 11.954 1.00 0.00 H new ATOM 559 N TYR A 35 -6.510 -2.322 10.526 1.00 0.00 N ATOM 560 CA TYR A 35 -5.218 -1.764 10.913 1.00 0.00 C ATOM 561 C TYR A 35 -4.712 -0.762 9.882 1.00 0.00 C ATOM 562 O TYR A 35 -4.067 0.214 10.272 1.00 0.00 O ATOM 563 CB TYR A 35 -4.192 -2.877 11.149 1.00 0.00 C ATOM 564 CG TYR A 35 -4.369 -3.551 12.496 1.00 0.00 C ATOM 565 CD1 TYR A 35 -5.275 -4.617 12.644 1.00 0.00 C ATOM 566 CD2 TYR A 35 -3.672 -3.066 13.619 1.00 0.00 C ATOM 567 CE1 TYR A 35 -5.485 -5.205 13.903 1.00 0.00 C ATOM 568 CE2 TYR A 35 -3.879 -3.644 14.884 1.00 0.00 C ATOM 569 CZ TYR A 35 -4.787 -4.718 15.033 1.00 0.00 C ATOM 570 OH TYR A 35 -4.993 -5.258 16.268 1.00 0.00 O ATOM 0 H TYR A 35 -6.474 -3.283 10.187 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.357 -1.226 11.851 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.280 -3.622 10.359 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.187 -2.461 11.084 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.813 -4.986 11.784 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.976 -2.247 13.508 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.178 -6.027 14.008 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.344 -3.267 15.743 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.427 -4.799 16.924 1.00 0.00 H new ATOM 580 N LEU A 36 -5.009 -0.952 8.591 1.00 0.00 N ATOM 581 CA LEU A 36 -4.658 0.032 7.580 1.00 0.00 C ATOM 582 C LEU A 36 -5.409 1.311 7.855 1.00 0.00 C ATOM 583 O LEU A 36 -4.728 2.325 7.984 1.00 0.00 O ATOM 584 CB LEU A 36 -4.912 -0.453 6.146 1.00 0.00 C ATOM 585 CG LEU A 36 -3.637 -0.994 5.475 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.816 -1.959 6.340 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.028 -1.683 4.164 1.00 0.00 C ATOM 0 H LEU A 36 -5.489 -1.776 8.231 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.584 0.204 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.672 -1.234 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.311 0.370 5.552 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.989 -0.134 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.937 -2.288 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.500 -1.452 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.426 -2.824 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.134 -2.072 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.713 -2.504 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.516 -0.964 3.506 1.00 0.00 H new ATOM 599 N ASP A 37 -6.742 1.293 8.029 1.00 0.00 N ATOM 600 CA ASP A 37 -7.423 2.543 8.358 1.00 0.00 C ATOM 601 C ASP A 37 -6.794 3.116 9.580 1.00 0.00 C ATOM 602 O ASP A 37 -6.493 4.311 9.567 1.00 0.00 O ATOM 603 CB ASP A 37 -8.929 2.473 8.677 1.00 0.00 C ATOM 604 CG ASP A 37 -9.484 3.869 9.125 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.131 4.435 10.203 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.317 4.419 8.372 1.00 0.00 O ATOM 0 H ASP A 37 -7.338 0.469 7.951 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.322 3.130 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.473 2.129 7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.102 1.741 9.466 1.00 0.00 H new ATOM 611 N ASP A 38 -6.577 2.313 10.632 1.00 0.00 N ATOM 612 CA ASP A 38 -6.212 3.002 11.840 1.00 0.00 C ATOM 613 C ASP A 38 -4.874 3.722 11.723 1.00 0.00 C ATOM 614 O ASP A 38 -4.757 4.849 12.208 1.00 0.00 O ATOM 615 CB ASP A 38 -6.437 2.286 13.161 1.00 0.00 C ATOM 616 CG ASP A 38 -6.607 3.394 14.239 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.098 4.515 13.913 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.262 3.144 15.415 1.00 0.00 O ATOM 0 H ASP A 38 -6.642 1.296 10.664 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.979 3.772 11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.322 1.652 13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.594 1.638 13.400 1.00 0.00 H new ATOM 623 N THR A 39 -3.964 3.160 10.930 1.00 0.00 N ATOM 624 CA THR A 39 -2.642 3.715 10.716 1.00 0.00 C ATOM 625 C THR A 39 -2.728 4.975 9.844 1.00 0.00 C ATOM 626 O THR A 39 -2.056 5.971 10.117 1.00 0.00 O ATOM 627 CB THR A 39 -1.776 2.627 10.060 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.739 1.457 10.854 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.353 3.135 9.876 1.00 0.00 C ATOM 0 H THR A 39 -4.132 2.296 10.415 1.00 0.00 H new ATOM 0 HA THR A 39 -2.190 4.016 11.661 1.00 0.00 H new ATOM 0 HB THR A 39 -2.219 2.388 9.093 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.600 0.994 10.794 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.253 2.358 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.362 4.019 9.238 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.070 3.392 10.847 1.00 0.00 H new ATOM 637 N LEU A 40 -3.545 4.927 8.792 1.00 0.00 N ATOM 638 CA LEU A 40 -3.772 6.028 7.873 1.00 0.00 C ATOM 639 C LEU A 40 -4.523 7.140 8.620 1.00 0.00 C ATOM 640 O LEU A 40 -5.476 6.886 9.371 1.00 0.00 O ATOM 641 CB LEU A 40 -4.585 5.514 6.667 1.00 0.00 C ATOM 642 CG LEU A 40 -3.919 4.376 5.852 1.00 0.00 C ATOM 643 CD1 LEU A 40 -4.931 3.623 4.980 1.00 0.00 C ATOM 644 CD2 LEU A 40 -2.806 4.857 4.928 1.00 0.00 C ATOM 0 H LEU A 40 -4.081 4.092 8.554 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.829 6.431 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.552 5.163 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.779 6.352 5.997 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.497 3.720 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.420 2.835 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.700 3.181 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.394 4.317 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.387 4.007 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.211 5.574 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.024 5.334 5.518 1.00 0.00 H new ATOM 656 N GLU A 41 -4.128 8.388 8.380 1.00 0.00 N ATOM 657 CA GLU A 41 -4.727 9.571 8.991 1.00 0.00 C ATOM 658 C GLU A 41 -5.278 10.459 7.874 1.00 0.00 C ATOM 659 O GLU A 41 -4.774 11.545 7.581 1.00 0.00 O ATOM 660 CB GLU A 41 -3.738 10.254 9.951 1.00 0.00 C ATOM 661 CG GLU A 41 -3.500 9.422 11.224 1.00 0.00 C ATOM 662 CD GLU A 41 -4.744 9.351 12.136 1.00 0.00 C ATOM 663 OE1 GLU A 41 -4.908 10.236 13.007 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.567 8.412 12.003 1.00 0.00 O ATOM 0 H GLU A 41 -3.365 8.609 7.740 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.571 9.310 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.789 10.414 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.121 11.237 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.204 8.412 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.669 9.852 11.783 1.00 0.00 H new ATOM 671 N PHE A 42 -6.313 9.928 7.218 1.00 0.00 N ATOM 672 CA PHE A 42 -7.126 10.612 6.221 1.00 0.00 C ATOM 673 C PHE A 42 -7.733 11.923 6.770 1.00 0.00 C ATOM 674 O PHE A 42 -7.906 12.047 7.989 1.00 0.00 O ATOM 675 CB PHE A 42 -8.270 9.678 5.804 1.00 0.00 C ATOM 676 CG PHE A 42 -7.869 8.363 5.169 1.00 0.00 C ATOM 677 CD1 PHE A 42 -7.656 8.296 3.779 1.00 0.00 C ATOM 678 CD2 PHE A 42 -7.826 7.184 5.941 1.00 0.00 C ATOM 679 CE1 PHE A 42 -7.449 7.051 3.160 1.00 0.00 C ATOM 680 CE2 PHE A 42 -7.622 5.945 5.316 1.00 0.00 C ATOM 681 CZ PHE A 42 -7.444 5.876 3.925 1.00 0.00 C ATOM 0 H PHE A 42 -6.617 8.967 7.378 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.487 10.865 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.873 9.462 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.911 10.214 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.652 9.200 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.950 7.235 7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.293 6.999 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.602 5.041 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.303 4.919 3.445 1.00 0.00 H new ATOM 691 N PRO A 43 -8.156 12.863 5.902 1.00 0.00 N ATOM 692 CA PRO A 43 -7.914 12.867 4.462 1.00 0.00 C ATOM 693 C PRO A 43 -6.436 13.149 4.174 1.00 0.00 C ATOM 694 O PRO A 43 -5.746 13.782 4.978 1.00 0.00 O ATOM 695 CB PRO A 43 -8.826 13.961 3.899 1.00 0.00 C ATOM 696 CG PRO A 43 -8.939 14.956 5.053 1.00 0.00 C ATOM 697 CD PRO A 43 -8.887 14.061 6.293 1.00 0.00 C ATOM 0 HA PRO A 43 -8.133 11.905 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.397 14.424 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.800 13.564 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.123 15.678 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.868 15.524 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.388 14.569 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.891 13.810 6.634 1.00 0.00 H new ATOM 705 N PHE A 44 -5.952 12.695 3.018 1.00 0.00 N ATOM 706 CA PHE A 44 -4.607 13.000 2.539 1.00 0.00 C ATOM 707 C PHE A 44 -4.632 13.105 1.014 1.00 0.00 C ATOM 708 O PHE A 44 -5.583 12.653 0.384 1.00 0.00 O ATOM 709 CB PHE A 44 -3.594 11.959 3.053 1.00 0.00 C ATOM 710 CG PHE A 44 -3.732 10.530 2.545 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.170 10.179 1.306 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.327 9.526 3.334 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.227 8.861 0.829 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.367 8.197 2.870 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.832 7.865 1.613 1.00 0.00 C ATOM 0 H PHE A 44 -6.487 12.101 2.384 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.277 13.961 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.594 12.310 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.658 11.936 4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.685 10.938 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.752 9.776 4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.808 8.614 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.812 7.428 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.886 6.849 1.252 1.00 0.00 H new ATOM 725 N MET A 45 -3.616 13.712 0.405 1.00 0.00 N ATOM 726 CA MET A 45 -3.520 13.840 -1.048 1.00 0.00 C ATOM 727 C MET A 45 -2.717 12.654 -1.583 1.00 0.00 C ATOM 728 O MET A 45 -1.736 12.260 -0.953 1.00 0.00 O ATOM 729 CB MET A 45 -2.808 15.166 -1.353 1.00 0.00 C ATOM 730 CG MET A 45 -2.665 15.435 -2.850 1.00 0.00 C ATOM 731 SD MET A 45 -1.644 16.882 -3.220 1.00 0.00 S ATOM 732 CE MET A 45 -1.618 16.711 -5.017 1.00 0.00 C ATOM 0 H MET A 45 -2.833 14.131 0.907 1.00 0.00 H new ATOM 0 HA MET A 45 -4.502 13.840 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.363 15.984 -0.894 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.819 15.155 -0.895 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.229 14.559 -3.330 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.655 15.577 -3.283 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.904 17.418 -5.440 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.323 15.696 -5.282 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.611 16.916 -5.416 1.00 0.00 H new ATOM 742 N GLY A 46 -3.055 12.109 -2.753 1.00 0.00 N ATOM 743 CA GLY A 46 -2.270 11.053 -3.357 1.00 0.00 C ATOM 744 C GLY A 46 -2.349 11.089 -4.870 1.00 0.00 C ATOM 745 O GLY A 46 -3.134 11.826 -5.468 1.00 0.00 O ATOM 0 H GLY A 46 -3.872 12.389 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.230 11.149 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.623 10.086 -2.997 1.00 0.00 H new ATOM 749 N LYS A 47 -1.496 10.292 -5.496 1.00 0.00 N ATOM 750 CA LYS A 47 -1.564 10.024 -6.918 1.00 0.00 C ATOM 751 C LYS A 47 -2.266 8.682 -7.086 1.00 0.00 C ATOM 752 O LYS A 47 -1.823 7.680 -6.520 1.00 0.00 O ATOM 753 CB LYS A 47 -0.142 9.989 -7.512 1.00 0.00 C ATOM 754 CG LYS A 47 -0.164 10.129 -9.039 1.00 0.00 C ATOM 755 CD LYS A 47 -0.475 11.557 -9.524 1.00 0.00 C ATOM 756 CE LYS A 47 0.704 12.519 -9.322 1.00 0.00 C ATOM 757 NZ LYS A 47 0.622 13.664 -10.256 1.00 0.00 N ATOM 0 H LYS A 47 -0.731 9.810 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.115 10.803 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.453 10.794 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.344 9.052 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.803 9.822 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.909 9.446 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.739 11.528 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.345 11.937 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.709 12.883 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.643 11.987 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.292 14.402 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.860 13.346 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.344 14.050 -10.249 1.00 0.00 H new ATOM 771 N TRP A 48 -3.362 8.660 -7.838 1.00 0.00 N ATOM 772 CA TRP A 48 -3.994 7.428 -8.270 1.00 0.00 C ATOM 773 C TRP A 48 -3.178 7.004 -9.487 1.00 0.00 C ATOM 774 O TRP A 48 -3.326 7.561 -10.571 1.00 0.00 O ATOM 775 CB TRP A 48 -5.480 7.653 -8.596 1.00 0.00 C ATOM 776 CG TRP A 48 -6.275 6.435 -8.974 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.804 5.170 -9.068 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.700 6.336 -9.287 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.812 4.312 -9.440 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.011 4.974 -9.587 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.771 7.256 -9.323 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.310 4.551 -9.911 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.082 6.842 -9.630 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.352 5.494 -9.926 1.00 0.00 C ATOM 0 H TRP A 48 -3.835 9.503 -8.164 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.999 6.654 -7.502 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.953 8.114 -7.729 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.545 8.370 -9.414 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.782 4.876 -8.878 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.687 3.311 -9.589 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.581 8.298 -9.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.506 3.515 -10.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.885 7.564 -9.638 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.359 5.184 -10.165 1.00 0.00 H new ATOM 795 N LYS A 49 -2.251 6.073 -9.302 1.00 0.00 N ATOM 796 CA LYS A 49 -1.384 5.527 -10.337 1.00 0.00 C ATOM 797 C LYS A 49 -2.139 4.343 -10.947 1.00 0.00 C ATOM 798 O LYS A 49 -1.807 3.184 -10.698 1.00 0.00 O ATOM 799 CB LYS A 49 -0.044 5.135 -9.686 1.00 0.00 C ATOM 800 CG LYS A 49 0.763 6.382 -9.274 1.00 0.00 C ATOM 801 CD LYS A 49 2.026 6.050 -8.465 1.00 0.00 C ATOM 802 CE LYS A 49 3.002 5.151 -9.236 1.00 0.00 C ATOM 803 NZ LYS A 49 4.272 4.931 -8.498 1.00 0.00 N ATOM 0 H LYS A 49 -2.076 5.660 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.147 6.234 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.231 4.514 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.540 4.535 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.049 6.933 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.125 7.040 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.531 6.976 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.739 5.556 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.528 4.189 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.221 5.603 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.898 4.318 -9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.740 5.845 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.069 4.476 -7.585 1.00 0.00 H new ATOM 817 N LYS A 50 -3.235 4.642 -11.647 1.00 0.00 N ATOM 818 CA LYS A 50 -4.169 3.623 -12.111 1.00 0.00 C ATOM 819 C LYS A 50 -3.441 2.743 -13.120 1.00 0.00 C ATOM 820 O LYS A 50 -2.807 3.283 -14.029 1.00 0.00 O ATOM 821 CB LYS A 50 -5.412 4.297 -12.713 1.00 0.00 C ATOM 822 CG LYS A 50 -6.565 3.302 -12.905 1.00 0.00 C ATOM 823 CD LYS A 50 -7.812 4.005 -13.457 1.00 0.00 C ATOM 824 CE LYS A 50 -8.947 2.988 -13.645 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.178 3.612 -14.190 1.00 0.00 N ATOM 0 H LYS A 50 -3.496 5.593 -11.905 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.515 2.997 -11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.737 5.108 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.154 4.744 -13.673 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.257 2.511 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.802 2.827 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.128 4.793 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.579 4.483 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.615 2.197 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.174 2.519 -12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.916 2.887 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.512 4.349 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.971 4.038 -15.116 1.00 0.00 H new ATOM 976 N GLU A 59 -1.471 5.053 -15.746 1.00 0.00 N ATOM 977 CA GLU A 59 -2.162 6.279 -16.093 1.00 0.00 C ATOM 978 C GLU A 59 -2.380 6.968 -14.745 1.00 0.00 C ATOM 979 O GLU A 59 -3.274 6.605 -13.975 1.00 0.00 O ATOM 980 CB GLU A 59 -3.491 5.956 -16.805 1.00 0.00 C ATOM 981 CG GLU A 59 -3.316 5.444 -18.243 1.00 0.00 C ATOM 982 CD GLU A 59 -2.926 6.568 -19.222 1.00 0.00 C ATOM 983 OE1 GLU A 59 -3.828 7.266 -19.741 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.722 6.760 -19.499 1.00 0.00 O ATOM 0 HA GLU A 59 -1.608 6.914 -16.785 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.030 5.206 -16.226 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.111 6.852 -16.821 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.550 4.669 -18.259 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.245 4.981 -18.577 1.00 0.00 H new ATOM 991 N GLU A 60 -1.481 7.886 -14.392 1.00 0.00 N ATOM 992 CA GLU A 60 -1.601 8.619 -13.141 1.00 0.00 C ATOM 993 C GLU A 60 -2.738 9.654 -13.217 1.00 0.00 C ATOM 994 O GLU A 60 -3.056 10.170 -14.294 1.00 0.00 O ATOM 995 CB GLU A 60 -0.255 9.210 -12.706 1.00 0.00 C ATOM 996 CG GLU A 60 0.262 10.266 -13.675 1.00 0.00 C ATOM 997 CD GLU A 60 1.435 11.080 -13.102 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.602 10.641 -13.216 1.00 0.00 O ATOM 999 OE2 GLU A 60 1.191 12.180 -12.554 1.00 0.00 O ATOM 0 H GLU A 60 -0.667 8.136 -14.954 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.881 7.920 -12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.360 9.652 -11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.479 8.409 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.579 9.781 -14.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.552 10.943 -13.934 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.321 9.995 -12.065 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.273 11.088 -11.883 1.00 0.00 C ATOM 1008 C LYS A 61 -4.064 11.602 -10.461 1.00 0.00 C ATOM 1009 O LYS A 61 -3.742 10.810 -9.574 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.698 10.549 -12.110 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.785 11.630 -11.986 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.137 11.177 -12.560 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.713 9.946 -11.841 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.990 9.493 -12.452 1.00 0.00 N ATOM 0 H LYS A 61 -3.133 9.493 -11.197 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.127 11.904 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.755 10.099 -13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.899 9.757 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.911 11.895 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.457 12.531 -12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.849 11.999 -12.489 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.018 10.949 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.987 9.134 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.878 10.184 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.345 8.661 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.692 10.259 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.828 9.241 -13.448 1.00 0.00 H new ATOM 1028 N THR A 62 -4.213 12.900 -10.221 1.00 0.00 N ATOM 1029 CA THR A 62 -3.915 13.489 -8.919 1.00 0.00 C ATOM 1030 C THR A 62 -5.234 13.607 -8.155 1.00 0.00 C ATOM 1031 O THR A 62 -6.207 14.161 -8.675 1.00 0.00 O ATOM 1032 CB THR A 62 -3.169 14.816 -9.124 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.109 14.632 -10.053 1.00 0.00 O ATOM 1034 CG2 THR A 62 -2.537 15.297 -7.823 1.00 0.00 C ATOM 0 H THR A 62 -4.541 13.570 -10.917 1.00 0.00 H new ATOM 0 HA THR A 62 -3.248 12.872 -8.316 1.00 0.00 H new ATOM 0 HB THR A 62 -3.895 15.545 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.607 15.468 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.016 16.238 -7.998 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.315 15.447 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.828 14.551 -7.465 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.286 13.074 -6.932 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.528 12.912 -6.197 1.00 0.00 C ATOM 1044 C VAL A 63 -6.363 13.282 -4.725 1.00 0.00 C ATOM 1045 O VAL A 63 -5.275 13.247 -4.150 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.044 11.456 -6.330 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.389 11.072 -7.778 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.066 10.400 -5.791 1.00 0.00 C ATOM 0 H VAL A 63 -4.463 12.744 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.261 13.593 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.946 11.453 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.744 10.042 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.168 11.735 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.500 11.166 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.496 9.407 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.126 10.461 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.881 10.582 -4.732 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.478 13.643 -4.114 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.615 13.805 -2.680 1.00 0.00 C ATOM 1060 C GLU A 64 -8.256 12.493 -2.224 1.00 0.00 C ATOM 1061 O GLU A 64 -9.174 12.004 -2.881 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.479 15.039 -2.377 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.626 15.265 -0.866 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.314 16.608 -0.560 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.561 16.690 -0.615 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.611 17.595 -0.245 1.00 0.00 O ATOM 0 H GLU A 64 -8.341 13.838 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.675 13.981 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.030 15.920 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.465 14.913 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.205 14.451 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.642 15.244 -0.397 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.765 11.899 -1.143 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.150 10.575 -0.672 1.00 0.00 C ATOM 1075 C VAL A 65 -8.930 10.803 0.622 1.00 0.00 C ATOM 1076 O VAL A 65 -8.373 11.267 1.621 1.00 0.00 O ATOM 1077 CB VAL A 65 -6.905 9.674 -0.493 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.344 8.208 -0.401 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -5.883 9.792 -1.642 1.00 0.00 C ATOM 0 H VAL A 65 -7.063 12.342 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.776 10.042 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.416 10.013 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.467 7.573 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.010 8.081 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.867 7.927 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.038 9.132 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.357 9.507 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.531 10.821 -1.711 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.241 10.552 0.578 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.164 10.924 1.647 1.00 0.00 C ATOM 1091 C LEU A 66 -11.117 9.943 2.818 1.00 0.00 C ATOM 1092 O LEU A 66 -11.322 10.356 3.960 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.615 10.991 1.122 1.00 0.00 C ATOM 1094 CG LEU A 66 -12.974 12.098 0.108 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.509 13.486 0.560 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.457 11.815 -1.307 1.00 0.00 C ATOM 0 H LEU A 66 -10.692 10.082 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.846 11.905 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.847 10.030 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.275 11.101 1.982 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.063 12.093 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.788 14.225 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.982 13.737 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.426 13.485 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.744 12.632 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.371 11.728 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.888 10.883 -1.672 1.00 0.00 H new ATOM 1108 N GLY A 67 -10.885 8.657 2.554 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.990 7.595 3.536 1.00 0.00 C ATOM 1110 C GLY A 67 -10.968 6.257 2.815 1.00 0.00 C ATOM 1111 O GLY A 67 -11.051 6.206 1.584 1.00 0.00 O ATOM 0 H GLY A 67 -10.613 8.325 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.165 7.655 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.912 7.700 4.108 1.00 0.00 H new ATOM 1115 N MET A 68 -10.857 5.169 3.570 1.00 0.00 N ATOM 1116 CA MET A 68 -11.056 3.832 3.016 1.00 0.00 C ATOM 1117 C MET A 68 -12.522 3.691 2.601 1.00 0.00 C ATOM 1118 O MET A 68 -13.409 4.339 3.168 1.00 0.00 O ATOM 1119 CB MET A 68 -10.635 2.724 3.990 1.00 0.00 C ATOM 1120 CG MET A 68 -9.121 2.760 4.222 1.00 0.00 C ATOM 1121 SD MET A 68 -8.407 1.314 5.044 1.00 0.00 S ATOM 1122 CE MET A 68 -8.324 0.152 3.659 1.00 0.00 C ATOM 0 H MET A 68 -10.631 5.185 4.565 1.00 0.00 H new ATOM 0 HA MET A 68 -10.413 3.714 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.157 2.848 4.939 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.925 1.752 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.629 2.884 3.257 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.886 3.643 4.816 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.553 -0.853 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.047 0.442 2.897 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.321 0.166 3.232 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.771 2.836 1.609 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.120 2.448 1.220 1.00 0.00 C ATOM 1134 C ALA A 69 -14.831 1.735 2.392 1.00 0.00 C ATOM 1135 O ALA A 69 -14.165 1.335 3.353 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.023 1.550 -0.017 1.00 0.00 C ATOM 0 H ALA A 69 -12.039 2.394 1.053 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.716 3.327 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.023 1.247 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.543 2.098 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.433 0.665 0.221 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.164 1.549 2.336 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.896 0.755 3.317 1.00 0.00 C ATOM 1144 C PRO A 70 -16.297 -0.640 3.515 1.00 0.00 C ATOM 1145 O PRO A 70 -15.669 -1.199 2.611 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.332 0.665 2.788 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.477 1.932 1.949 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.083 2.094 1.347 1.00 0.00 C ATOM 0 HA PRO A 70 -16.848 1.226 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.485 -0.233 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.059 0.635 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.241 1.823 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.758 2.791 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.001 1.561 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.863 3.142 1.143 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.577 -1.251 4.668 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.193 -2.634 4.955 1.00 0.00 C ATOM 1158 C ASP A 71 -16.773 -3.608 3.924 1.00 0.00 C ATOM 1159 O ASP A 71 -16.146 -4.620 3.622 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.612 -3.044 6.375 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.082 -3.492 6.473 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.980 -2.622 6.433 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.344 -4.705 6.627 1.00 0.00 O ATOM 0 H ASP A 71 -17.079 -0.798 5.432 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.106 -2.684 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.969 -3.856 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.450 -2.204 7.051 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.928 -3.281 3.334 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.568 -4.094 2.301 1.00 0.00 C ATOM 1170 C ASP A 72 -17.714 -4.177 1.035 1.00 0.00 C ATOM 1171 O ASP A 72 -17.727 -5.192 0.339 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.945 -3.519 1.958 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.634 -4.350 0.861 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -21.133 -5.458 1.163 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.717 -3.883 -0.297 1.00 0.00 O ATOM 0 H ASP A 72 -18.448 -2.435 3.565 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.679 -5.103 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.569 -3.502 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.839 -2.487 1.624 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.939 -3.131 0.744 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.953 -3.147 -0.328 1.00 0.00 C ATOM 1182 C GLU A 73 -14.684 -3.817 0.188 1.00 0.00 C ATOM 1183 O GLU A 73 -14.157 -4.722 -0.462 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.673 -1.720 -0.828 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.860 -1.086 -1.573 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.101 -1.719 -2.957 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.634 -2.850 -3.032 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.774 -1.080 -3.983 1.00 0.00 O ATOM 0 H GLU A 73 -16.981 -2.246 1.250 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.335 -3.713 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.410 -1.091 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.807 -1.739 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.761 -1.191 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.679 -0.018 -1.693 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.230 -3.438 1.387 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.939 -3.854 1.922 1.00 0.00 C ATOM 1197 C CYS A 74 -12.859 -5.335 2.324 1.00 0.00 C ATOM 1198 O CYS A 74 -11.846 -5.765 2.871 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.486 -2.917 3.045 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.351 -1.222 2.404 1.00 0.00 S ATOM 0 H CYS A 74 -14.756 -2.829 2.015 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.233 -3.767 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.198 -2.950 3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.525 -3.245 3.441 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.237 -0.467 2.983 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.908 -6.117 2.064 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.917 -7.574 2.182 1.00 0.00 C ATOM 1208 C LEU A 75 -13.245 -8.227 0.968 1.00 0.00 C ATOM 1209 O LEU A 75 -12.803 -9.371 1.061 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.368 -8.081 2.293 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.925 -8.032 3.727 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.452 -8.147 3.694 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.349 -9.159 4.597 1.00 0.00 C ATOM 0 H LEU A 75 -14.804 -5.740 1.755 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.360 -7.845 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.005 -7.481 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.415 -9.107 1.928 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.630 -7.079 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.842 -8.112 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.867 -7.320 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.736 -9.091 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.765 -9.092 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.608 -10.124 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.264 -9.062 4.646 1.00 0.00 H new ATOM 1225 N LYS A 76 -13.186 -7.529 -0.172 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.713 -8.080 -1.438 1.00 0.00 C ATOM 1227 C LYS A 76 -11.276 -7.669 -1.725 1.00 0.00 C ATOM 1228 O LYS A 76 -10.497 -8.497 -2.197 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.659 -7.654 -2.572 1.00 0.00 C ATOM 1230 CG LYS A 76 -15.061 -8.268 -2.393 1.00 0.00 C ATOM 1231 CD LYS A 76 -16.158 -7.342 -1.848 1.00 0.00 C ATOM 1232 CE LYS A 76 -16.474 -6.173 -2.791 1.00 0.00 C ATOM 1233 NZ LYS A 76 -17.767 -5.533 -2.453 1.00 0.00 N ATOM 0 H LYS A 76 -13.471 -6.552 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.718 -9.168 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.736 -6.567 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.244 -7.964 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.389 -8.652 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.974 -9.123 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.065 -7.922 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.847 -6.948 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.676 -5.433 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.503 -6.532 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.847 -4.626 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.548 -6.157 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.814 -5.367 -1.427 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.910 -6.425 -1.422 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.561 -5.880 -1.598 1.00 0.00 C ATOM 1249 C ASP A 77 -9.494 -4.572 -0.807 1.00 0.00 C ATOM 1250 O ASP A 77 -10.526 -4.122 -0.311 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.267 -5.621 -3.088 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.782 -5.363 -3.381 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.930 -5.652 -2.512 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.471 -4.915 -4.507 1.00 0.00 O ATOM 0 H ASP A 77 -11.564 -5.745 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.815 -6.589 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.601 -6.479 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.850 -4.763 -3.422 1.00 0.00 H new ATOM 1259 N MET A 78 -8.328 -3.944 -0.652 1.00 0.00 N ATOM 1260 CA MET A 78 -8.248 -2.637 0.000 1.00 0.00 C ATOM 1261 C MET A 78 -8.621 -1.555 -1.017 1.00 0.00 C ATOM 1262 O MET A 78 -8.034 -1.493 -2.102 1.00 0.00 O ATOM 1263 CB MET A 78 -6.848 -2.393 0.575 1.00 0.00 C ATOM 1264 CG MET A 78 -6.468 -3.382 1.684 1.00 0.00 C ATOM 1265 SD MET A 78 -7.536 -3.419 3.152 1.00 0.00 S ATOM 1266 CE MET A 78 -8.518 -4.905 2.803 1.00 0.00 C ATOM 0 H MET A 78 -7.432 -4.316 -0.967 1.00 0.00 H new ATOM 0 HA MET A 78 -8.947 -2.606 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.115 -2.460 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.796 -1.378 0.969 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.448 -4.383 1.254 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.453 -3.154 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.571 -4.697 2.991 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.385 -5.192 1.760 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.188 -5.719 3.448 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.549 -0.665 -0.654 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.041 0.401 -1.522 1.00 0.00 C ATOM 1278 C TYR A 79 -10.184 1.698 -0.724 1.00 0.00 C ATOM 1279 O TYR A 79 -10.316 1.674 0.502 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.407 0.038 -2.127 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.534 -1.257 -2.907 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.208 -1.316 -4.277 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -12.098 -2.381 -2.278 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.452 -2.492 -5.014 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.350 -3.552 -3.008 1.00 0.00 C ATOM 1286 CZ TYR A 79 -12.032 -3.617 -4.380 1.00 0.00 C ATOM 1287 OH TYR A 79 -12.279 -4.778 -5.053 1.00 0.00 O ATOM 0 H TYR A 79 -9.985 -0.668 0.268 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.321 0.533 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.132 0.007 -1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.704 0.853 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.770 -0.457 -4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.339 -2.342 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.197 -2.535 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.790 -4.408 -2.517 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.679 -5.432 -4.442 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.197 2.826 -1.430 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.230 4.166 -0.866 1.00 0.00 C ATOM 1299 C VAL A 80 -11.132 5.033 -1.737 1.00 0.00 C ATOM 1300 O VAL A 80 -11.139 4.900 -2.961 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.806 4.756 -0.754 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.054 4.207 0.465 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.937 4.528 -2.003 1.00 0.00 C ATOM 0 H VAL A 80 -10.184 2.828 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.632 4.133 0.146 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.967 5.829 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.058 4.647 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.600 4.460 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.969 3.123 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.953 4.971 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.830 3.458 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.412 4.994 -2.867 1.00 0.00 H new ATOM 1313 N GLU A 81 -11.911 5.902 -1.104 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.696 6.916 -1.784 1.00 0.00 C ATOM 1315 C GLU A 81 -11.748 8.056 -2.148 1.00 0.00 C ATOM 1316 O GLU A 81 -10.910 8.460 -1.334 1.00 0.00 O ATOM 1317 CB GLU A 81 -13.833 7.415 -0.881 1.00 0.00 C ATOM 1318 CG GLU A 81 -14.880 6.322 -0.624 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.090 6.872 0.152 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.026 6.984 1.397 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.129 7.182 -0.475 1.00 0.00 O ATOM 0 H GLU A 81 -12.014 5.919 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.158 6.506 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.420 7.753 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.314 8.277 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.214 5.906 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.426 5.506 -0.061 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.886 8.588 -3.358 1.00 0.00 N ATOM 1329 CA VAL A 82 -10.977 9.574 -3.925 1.00 0.00 C ATOM 1330 C VAL A 82 -11.775 10.630 -4.688 1.00 0.00 C ATOM 1331 O VAL A 82 -12.823 10.319 -5.246 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.944 8.891 -4.849 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -8.874 8.146 -4.046 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.561 7.922 -5.872 1.00 0.00 C ATOM 0 H VAL A 82 -12.651 8.339 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.432 10.062 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.492 9.712 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.166 7.679 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.347 8.850 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.347 7.379 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.770 7.485 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.095 7.130 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.256 8.464 -6.513 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.268 11.857 -4.771 1.00 0.00 N ATOM 1345 CA ALA A 83 -11.844 12.938 -5.557 1.00 0.00 C ATOM 1346 C ALA A 83 -10.743 13.490 -6.451 1.00 0.00 C ATOM 1347 O ALA A 83 -9.627 13.724 -5.986 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.402 14.023 -4.632 1.00 0.00 C ATOM 0 H ALA A 83 -10.419 12.132 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.672 12.578 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.830 14.827 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.175 13.595 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.599 14.421 -4.012 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.040 13.667 -7.736 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.072 14.162 -8.711 1.00 0.00 C ATOM 1356 C ASP A 84 -9.772 15.637 -8.462 1.00 0.00 C ATOM 1357 O ASP A 84 -10.678 16.468 -8.530 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.605 13.974 -10.137 1.00 0.00 C ATOM 1359 CG ASP A 84 -9.737 14.747 -11.131 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.514 14.503 -11.176 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.286 15.632 -11.820 1.00 0.00 O ATOM 0 H ASP A 84 -11.960 13.471 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.151 13.590 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.610 12.915 -10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.636 14.322 -10.196 1.00 0.00 H new ATOM 1366 N ILE A 85 -8.505 15.966 -8.204 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.045 17.346 -8.057 1.00 0.00 C ATOM 1368 C ILE A 85 -7.748 17.929 -9.454 1.00 0.00 C ATOM 1369 O ILE A 85 -7.818 19.144 -9.642 1.00 0.00 O ATOM 1370 CB ILE A 85 -6.800 17.403 -7.129 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.034 16.702 -5.768 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -6.374 18.855 -6.839 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -5.765 16.576 -4.910 1.00 0.00 C ATOM 0 H ILE A 85 -7.763 15.275 -8.090 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.822 17.951 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.016 16.877 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.786 17.258 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.441 15.707 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.500 18.855 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.128 19.356 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.192 19.383 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.008 16.075 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.017 15.994 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.369 17.569 -4.699 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.648 12.422 -6.654 1.00 0.00 N ATOM 1458 CA VAL A 92 -15.922 11.411 -5.892 1.00 0.00 C ATOM 1459 C VAL A 92 -16.098 10.045 -6.579 1.00 0.00 C ATOM 1460 O VAL A 92 -17.135 9.762 -7.185 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.428 11.404 -4.424 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.535 10.584 -3.480 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.550 12.812 -3.807 1.00 0.00 C ATOM 0 HA VAL A 92 -14.856 11.638 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.414 10.947 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.944 10.620 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.499 9.549 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.528 11.001 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.909 12.730 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.574 13.297 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.254 13.405 -4.391 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.074 9.205 -6.451 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.948 7.860 -6.995 1.00 0.00 C ATOM 1475 C TYR A 93 -14.315 6.958 -5.920 1.00 0.00 C ATOM 1476 O TYR A 93 -14.059 7.394 -4.795 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.063 7.903 -8.259 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.617 8.670 -9.445 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.590 8.074 -10.270 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.104 9.941 -9.773 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -16.040 8.733 -11.428 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.548 10.604 -10.932 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.514 10.000 -11.769 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.912 10.631 -12.913 1.00 0.00 O ATOM 0 H TYR A 93 -14.245 9.472 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.925 7.462 -7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.102 8.340 -7.988 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.869 6.878 -8.575 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.993 7.106 -10.012 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.369 10.407 -9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.787 8.271 -12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.150 11.576 -11.183 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.450 11.492 -12.989 1.00 0.00 H new ATOM 1494 N THR A 94 -14.017 5.715 -6.291 1.00 0.00 N ATOM 1495 CA THR A 94 -13.316 4.747 -5.455 1.00 0.00 C ATOM 1496 C THR A 94 -12.168 4.163 -6.284 1.00 0.00 C ATOM 1497 O THR A 94 -12.312 3.953 -7.492 1.00 0.00 O ATOM 1498 CB THR A 94 -14.298 3.674 -4.936 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.539 4.252 -4.557 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.736 2.941 -3.713 1.00 0.00 C ATOM 0 H THR A 94 -14.264 5.344 -7.208 1.00 0.00 H new ATOM 0 HA THR A 94 -12.897 5.218 -4.566 1.00 0.00 H new ATOM 0 HB THR A 94 -14.443 2.972 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.142 3.550 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.454 2.194 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.800 2.450 -3.981 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.554 3.657 -2.912 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.036 3.907 -5.629 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.817 3.374 -6.216 1.00 0.00 C ATOM 1510 C ALA A 95 -9.309 2.244 -5.326 1.00 0.00 C ATOM 1511 O ALA A 95 -9.623 2.196 -4.135 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.773 4.495 -6.303 1.00 0.00 C ATOM 0 H ALA A 95 -10.945 4.075 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.006 2.990 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.855 4.104 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.158 5.303 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.563 4.875 -5.303 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.504 1.338 -5.881 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.792 0.353 -5.086 1.00 0.00 C ATOM 1520 C LYS A 96 -6.687 1.095 -4.354 1.00 0.00 C ATOM 1521 O LYS A 96 -5.984 1.904 -4.963 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.176 -0.714 -6.002 1.00 0.00 C ATOM 1523 CG LYS A 96 -8.223 -1.623 -6.666 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.585 -2.445 -7.795 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.462 -1.614 -9.085 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.341 -2.062 -9.943 1.00 0.00 N ATOM 0 H LYS A 96 -8.332 1.271 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.465 -0.144 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.588 -0.222 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.488 -1.328 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.657 -2.291 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.038 -1.018 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.598 -2.789 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.187 -3.333 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.394 -1.680 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.320 -0.565 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.421 -1.616 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.438 -1.789 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.376 -3.096 -10.048 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.466 0.769 -3.083 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.285 1.246 -2.362 1.00 0.00 C ATOM 1542 C LEU A 97 -4.023 0.751 -3.089 1.00 0.00 C ATOM 1543 O LEU A 97 -3.004 1.434 -3.104 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.321 0.752 -0.907 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.164 1.283 -0.032 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.198 2.810 0.119 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.250 0.641 1.355 1.00 0.00 C ATOM 0 H LEU A 97 -7.087 0.178 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.274 2.336 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.268 1.049 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.294 -0.338 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.229 1.021 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.364 3.133 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.117 3.275 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.137 3.109 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.436 1.011 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.205 0.896 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.171 -0.442 1.260 1.00 0.00 H new ATOM 1559 N SER A 98 -4.125 -0.403 -3.755 1.00 0.00 N ATOM 1560 CA SER A 98 -3.089 -1.008 -4.584 1.00 0.00 C ATOM 1561 C SER A 98 -2.671 -0.133 -5.779 1.00 0.00 C ATOM 1562 O SER A 98 -1.617 -0.374 -6.369 1.00 0.00 O ATOM 1563 CB SER A 98 -3.627 -2.357 -5.076 1.00 0.00 C ATOM 1564 OG SER A 98 -4.187 -3.071 -3.985 1.00 0.00 O ATOM 0 H SER A 98 -4.976 -0.965 -3.726 1.00 0.00 H new ATOM 0 HA SER A 98 -2.189 -1.126 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.381 -2.200 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.823 -2.937 -5.530 1.00 0.00 H new ATOM 0 HG SER A 98 -4.532 -3.932 -4.300 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.460 0.889 -6.123 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.221 1.778 -7.259 1.00 0.00 C ATOM 1572 C ASP A 99 -3.006 3.208 -6.745 1.00 0.00 C ATOM 1573 O ASP A 99 -2.995 4.146 -7.533 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.387 1.698 -8.269 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.361 0.464 -9.185 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.301 -0.682 -8.685 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.511 0.632 -10.417 1.00 0.00 O ATOM 0 H ASP A 99 -4.305 1.126 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.322 1.464 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.328 1.705 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.374 2.594 -8.889 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.826 3.412 -5.437 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.640 4.725 -4.826 1.00 0.00 C ATOM 1584 C ILE A 100 -1.245 4.792 -4.221 1.00 0.00 C ATOM 1585 O ILE A 100 -0.698 3.810 -3.714 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.776 4.997 -3.805 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.021 5.495 -4.568 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.428 5.942 -2.633 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.125 7.004 -4.791 1.00 0.00 C ATOM 0 H ILE A 100 -2.806 2.649 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.706 5.519 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.965 4.044 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.044 5.004 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.908 5.168 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.298 6.056 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.603 5.521 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.137 6.916 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.041 7.229 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.142 7.514 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.266 7.347 -5.367 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.702 6.001 -4.259 1.00 0.00 N ATOM 1602 CA GLU A 101 0.513 6.390 -3.566 1.00 0.00 C ATOM 1603 C GLU A 101 0.223 7.757 -2.946 1.00 0.00 C ATOM 1604 O GLU A 101 -0.393 8.604 -3.595 1.00 0.00 O ATOM 1605 CB GLU A 101 1.689 6.406 -4.557 1.00 0.00 C ATOM 1606 CG GLU A 101 3.010 6.897 -3.942 1.00 0.00 C ATOM 1607 CD GLU A 101 3.479 6.056 -2.739 1.00 0.00 C ATOM 1608 OE1 GLU A 101 2.852 6.141 -1.658 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.493 5.333 -2.870 1.00 0.00 O ATOM 0 H GLU A 101 -1.114 6.765 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 101 0.800 5.691 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.834 5.400 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.432 7.045 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.785 6.884 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.891 7.933 -3.626 1.00 0.00 H new ATOM 1616 N ALA A 102 0.602 7.975 -1.687 1.00 0.00 N ATOM 1617 CA ALA A 102 0.350 9.249 -1.023 1.00 0.00 C ATOM 1618 C ALA A 102 1.369 10.298 -1.463 1.00 0.00 C ATOM 1619 O ALA A 102 2.482 9.986 -1.892 1.00 0.00 O ATOM 1620 CB ALA A 102 0.398 9.104 0.498 1.00 0.00 C ATOM 0 H ALA A 102 1.084 7.286 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.650 9.572 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.206 10.071 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.361 8.391 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.383 8.746 0.799 1.00 0.00 H new ATOM 1626 N ILE A 103 0.989 11.559 -1.275 1.00 0.00 N ATOM 1627 CA ILE A 103 1.818 12.727 -1.524 1.00 0.00 C ATOM 1628 C ILE A 103 1.840 13.543 -0.228 1.00 0.00 C ATOM 1629 O ILE A 103 0.791 13.839 0.346 1.00 0.00 O ATOM 1630 CB ILE A 103 1.247 13.528 -2.721 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.208 12.693 -4.026 1.00 0.00 C ATOM 1632 CG2 ILE A 103 2.062 14.812 -2.961 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.322 13.317 -5.110 1.00 0.00 C ATOM 0 H ILE A 103 0.059 11.801 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 103 2.838 12.455 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 103 0.222 13.788 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.222 12.584 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.844 11.691 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.642 15.357 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.024 15.439 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.098 14.550 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.336 12.686 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.700 13.401 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.699 14.308 -5.363 1.00 0.00 H new ATOM 1645 N ASP A 104 3.050 13.930 0.192 1.00 0.00 N ATOM 1646 CA ASP A 104 3.324 14.839 1.311 1.00 0.00 C ATOM 1647 C ASP A 104 2.557 14.478 2.596 1.00 0.00 C ATOM 1648 O ASP A 104 2.033 15.346 3.299 1.00 0.00 O ATOM 1649 CB ASP A 104 3.129 16.296 0.856 1.00 0.00 C ATOM 1650 CG ASP A 104 3.612 17.318 1.904 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.727 17.160 2.452 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.908 18.327 2.140 1.00 0.00 O ATOM 0 H ASP A 104 3.904 13.603 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 104 4.369 14.719 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.669 16.456 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.073 16.468 0.647 1.00 0.00 H new ATOM 1657 N VAL A 105 2.451 13.176 2.887 1.00 0.00 N ATOM 1658 CA VAL A 105 1.709 12.666 4.043 1.00 0.00 C ATOM 1659 C VAL A 105 2.659 12.358 5.214 1.00 0.00 C ATOM 1660 O VAL A 105 3.884 12.427 5.063 1.00 0.00 O ATOM 1661 CB VAL A 105 0.820 11.485 3.597 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.550 10.136 3.506 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.441 11.392 4.457 1.00 0.00 C ATOM 0 H VAL A 105 2.881 12.443 2.323 1.00 0.00 H new ATOM 0 HA VAL A 105 1.033 13.427 4.434 1.00 0.00 H new ATOM 0 HB VAL A 105 0.527 11.710 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.850 9.364 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.363 10.210 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.956 9.875 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.049 10.552 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.160 11.243 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.014 12.315 4.364 1.00 0.00 H new ATOM 1673 N ASP A 106 2.103 12.044 6.390 1.00 0.00 N ATOM 1674 CA ASP A 106 2.894 11.689 7.567 1.00 0.00 C ATOM 1675 C ASP A 106 3.445 10.272 7.426 1.00 0.00 C ATOM 1676 O ASP A 106 2.955 9.454 6.644 1.00 0.00 O ATOM 1677 CB ASP A 106 2.066 11.781 8.855 1.00 0.00 C ATOM 1678 CG ASP A 106 2.904 11.732 10.147 1.00 0.00 C ATOM 1679 OD1 ASP A 106 4.104 12.088 10.125 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.358 11.335 11.199 1.00 0.00 O ATOM 0 H ASP A 106 1.096 12.030 6.549 1.00 0.00 H new ATOM 0 HA ASP A 106 3.716 12.402 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.494 12.709 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 106 1.346 10.963 8.870 1.00 0.00 H new ATOM 1685 N ASP A 107 4.446 9.979 8.241 1.00 0.00 N ATOM 1686 CA ASP A 107 5.262 8.774 8.147 1.00 0.00 C ATOM 1687 C ASP A 107 4.416 7.513 8.292 1.00 0.00 C ATOM 1688 O ASP A 107 4.583 6.571 7.522 1.00 0.00 O ATOM 1689 CB ASP A 107 6.356 8.800 9.217 1.00 0.00 C ATOM 1690 CG ASP A 107 7.201 7.516 9.177 1.00 0.00 C ATOM 1691 OD1 ASP A 107 8.043 7.374 8.262 1.00 0.00 O ATOM 1692 OD2 ASP A 107 7.071 6.674 10.093 1.00 0.00 O ATOM 0 H ASP A 107 4.723 10.590 9.010 1.00 0.00 H new ATOM 0 HA ASP A 107 5.722 8.755 7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.999 9.667 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.903 8.910 10.202 1.00 0.00 H new ATOM 1697 N ASP A 108 3.471 7.504 9.236 1.00 0.00 N ATOM 1698 CA ASP A 108 2.679 6.316 9.538 1.00 0.00 C ATOM 1699 C ASP A 108 1.718 6.013 8.383 1.00 0.00 C ATOM 1700 O ASP A 108 1.591 4.862 7.965 1.00 0.00 O ATOM 1701 CB ASP A 108 1.921 6.522 10.864 1.00 0.00 C ATOM 1702 CG ASP A 108 1.792 5.256 11.731 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.618 4.323 11.621 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.895 5.231 12.604 1.00 0.00 O ATOM 0 H ASP A 108 3.237 8.316 9.807 1.00 0.00 H new ATOM 0 HA ASP A 108 3.339 5.456 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.430 7.293 11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.922 6.898 10.642 1.00 0.00 H new ATOM 1709 N THR A 109 1.099 7.054 7.809 1.00 0.00 N ATOM 1710 CA THR A 109 0.228 6.919 6.644 1.00 0.00 C ATOM 1711 C THR A 109 1.046 6.375 5.471 1.00 0.00 C ATOM 1712 O THR A 109 0.639 5.402 4.831 1.00 0.00 O ATOM 1713 CB THR A 109 -0.465 8.268 6.340 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.203 8.690 7.478 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.492 8.190 5.211 1.00 0.00 C ATOM 0 H THR A 109 1.191 8.013 8.144 1.00 0.00 H new ATOM 0 HA THR A 109 -0.572 6.205 6.838 1.00 0.00 H new ATOM 0 HB THR A 109 0.341 8.946 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.640 9.546 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.936 9.173 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.001 7.864 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.272 7.477 5.478 1.00 0.00 H new ATOM 1723 N GLN A 110 2.227 6.945 5.221 1.00 0.00 N ATOM 1724 CA GLN A 110 3.063 6.517 4.118 1.00 0.00 C ATOM 1725 C GLN A 110 3.539 5.071 4.305 1.00 0.00 C ATOM 1726 O GLN A 110 3.604 4.329 3.323 1.00 0.00 O ATOM 1727 CB GLN A 110 4.228 7.502 3.963 1.00 0.00 C ATOM 1728 CG GLN A 110 5.094 7.219 2.734 1.00 0.00 C ATOM 1729 CD GLN A 110 4.326 7.249 1.411 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.185 8.297 0.788 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.830 6.108 0.956 1.00 0.00 N ATOM 0 H GLN A 110 2.619 7.706 5.775 1.00 0.00 H new ATOM 0 HA GLN A 110 2.482 6.523 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.832 8.515 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.851 7.462 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.898 7.954 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.561 6.241 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.958 5.248 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.320 6.090 0.073 1.00 0.00 H new ATOM 1740 N GLU A 111 3.848 4.654 5.535 1.00 0.00 N ATOM 1741 CA GLU A 111 4.302 3.300 5.823 1.00 0.00 C ATOM 1742 C GLU A 111 3.205 2.279 5.568 1.00 0.00 C ATOM 1743 O GLU A 111 3.497 1.236 4.991 1.00 0.00 O ATOM 1744 CB GLU A 111 4.795 3.181 7.274 1.00 0.00 C ATOM 1745 CG GLU A 111 6.252 3.628 7.421 1.00 0.00 C ATOM 1746 CD GLU A 111 7.239 2.720 6.659 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.171 1.477 6.798 1.00 0.00 O ATOM 1748 OE2 GLU A 111 8.103 3.246 5.921 1.00 0.00 O ATOM 0 H GLU A 111 3.789 5.252 6.359 1.00 0.00 H new ATOM 0 HA GLU A 111 5.132 3.090 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.162 3.786 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.697 2.148 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.351 4.650 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.518 3.639 8.478 1.00 0.00 H new ATOM 1755 N ALA A 112 1.954 2.564 5.939 1.00 0.00 N ATOM 1756 CA ALA A 112 0.845 1.656 5.659 1.00 0.00 C ATOM 1757 C ALA A 112 0.706 1.421 4.153 1.00 0.00 C ATOM 1758 O ALA A 112 0.479 0.293 3.714 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.452 2.236 6.222 1.00 0.00 C ATOM 0 H ALA A 112 1.687 3.415 6.433 1.00 0.00 H new ATOM 0 HA ALA A 112 1.048 0.698 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.277 1.555 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.355 2.365 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.651 3.202 5.757 1.00 0.00 H new ATOM 1765 N ILE A 113 0.856 2.485 3.363 1.00 0.00 N ATOM 1766 CA ILE A 113 0.735 2.427 1.913 1.00 0.00 C ATOM 1767 C ILE A 113 1.901 1.616 1.345 1.00 0.00 C ATOM 1768 O ILE A 113 1.674 0.673 0.591 1.00 0.00 O ATOM 1769 CB ILE A 113 0.678 3.864 1.361 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.603 4.566 1.859 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.749 3.894 -0.173 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.485 6.084 1.808 1.00 0.00 C ATOM 0 H ILE A 113 1.067 3.418 3.719 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.184 1.924 1.611 1.00 0.00 H new ATOM 0 HB ILE A 113 1.551 4.400 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.449 4.249 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.812 4.254 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.706 4.927 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.683 3.440 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.091 3.337 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.411 6.533 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.344 6.406 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.304 6.401 0.781 1.00 0.00 H new ATOM 1784 N ALA A 114 3.138 1.948 1.725 1.00 0.00 N ATOM 1785 CA ALA A 114 4.323 1.236 1.267 1.00 0.00 C ATOM 1786 C ALA A 114 4.233 -0.250 1.628 1.00 0.00 C ATOM 1787 O ALA A 114 4.508 -1.107 0.793 1.00 0.00 O ATOM 1788 CB ALA A 114 5.575 1.872 1.881 1.00 0.00 C ATOM 0 H ALA A 114 3.341 2.720 2.360 1.00 0.00 H new ATOM 0 HA ALA A 114 4.386 1.312 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.461 1.338 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.640 2.916 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.516 1.815 2.968 1.00 0.00 H new ATOM 1794 N ASP A 115 3.793 -0.558 2.849 1.00 0.00 N ATOM 1795 CA ASP A 115 3.649 -1.929 3.328 1.00 0.00 C ATOM 1796 C ASP A 115 2.607 -2.697 2.516 1.00 0.00 C ATOM 1797 O ASP A 115 2.820 -3.859 2.166 1.00 0.00 O ATOM 1798 CB ASP A 115 3.280 -1.940 4.812 1.00 0.00 C ATOM 1799 CG ASP A 115 3.368 -3.361 5.376 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.503 -3.793 5.686 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.315 -4.008 5.556 1.00 0.00 O ATOM 0 H ASP A 115 3.525 0.145 3.538 1.00 0.00 H new ATOM 0 HA ASP A 115 4.609 -2.429 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.950 -1.281 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.270 -1.552 4.945 1.00 0.00 H new ATOM 1806 N TRP A 116 1.508 -2.032 2.150 1.00 0.00 N ATOM 1807 CA TRP A 116 0.494 -2.618 1.288 1.00 0.00 C ATOM 1808 C TRP A 116 1.046 -2.851 -0.122 1.00 0.00 C ATOM 1809 O TRP A 116 0.764 -3.883 -0.728 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.764 -1.741 1.241 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.865 -2.371 0.450 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.257 -2.012 -0.794 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.638 -3.564 0.782 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.196 -2.906 -1.263 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.473 -3.882 -0.329 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.691 -4.431 1.896 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.322 -4.996 -0.324 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.540 -5.554 1.904 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.356 -5.839 0.797 1.00 0.00 C ATOM 0 H TRP A 116 1.302 -1.077 2.444 1.00 0.00 H new ATOM 0 HA TRP A 116 0.215 -3.584 1.709 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.111 -1.553 2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.514 -0.774 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.890 -1.154 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.631 -2.852 -2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.070 -4.229 2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.948 -5.205 -1.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.564 -6.201 2.768 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.006 -6.702 0.809 1.00 0.00 H new ATOM 1830 N LEU A 117 1.855 -1.929 -0.649 1.00 0.00 N ATOM 1831 CA LEU A 117 2.486 -2.092 -1.954 1.00 0.00 C ATOM 1832 C LEU A 117 3.496 -3.245 -1.930 1.00 0.00 C ATOM 1833 O LEU A 117 3.633 -3.942 -2.936 1.00 0.00 O ATOM 1834 CB LEU A 117 3.133 -0.774 -2.418 1.00 0.00 C ATOM 1835 CG LEU A 117 2.114 0.336 -2.759 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.840 1.672 -2.943 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.301 0.021 -4.022 1.00 0.00 C ATOM 0 H LEU A 117 2.088 -1.053 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 117 1.715 -2.349 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.801 -0.413 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.748 -0.972 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 117 1.416 0.395 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.115 2.450 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.361 1.933 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.562 1.585 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.600 0.833 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.976 -0.087 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.749 -0.908 -3.877 1.00 0.00 H new ATOM 1849 N TYR A 118 4.162 -3.507 -0.799 1.00 0.00 N ATOM 1850 CA TYR A 118 4.987 -4.703 -0.655 1.00 0.00 C ATOM 1851 C TYR A 118 4.100 -5.947 -0.698 1.00 0.00 C ATOM 1852 O TYR A 118 4.382 -6.849 -1.476 1.00 0.00 O ATOM 1853 CB TYR A 118 5.836 -4.672 0.627 1.00 0.00 C ATOM 1854 CG TYR A 118 6.735 -3.458 0.813 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.361 -2.831 -0.286 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.932 -2.941 2.108 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.137 -1.675 -0.096 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.675 -1.765 2.302 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.287 -1.127 1.198 1.00 0.00 C ATOM 1860 OH TYR A 118 9.027 0.006 1.367 1.00 0.00 O ATOM 0 H TYR A 118 4.143 -2.906 0.025 1.00 0.00 H new ATOM 0 HA TYR A 118 5.688 -4.733 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.164 -4.734 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.460 -5.566 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.243 -3.242 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.508 -3.453 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.619 -1.205 -0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.779 -1.348 3.293 1.00 0.00 H new ATOM 0 HH TYR A 118 9.032 0.255 2.315 1.00 0.00 H new ATOM 1870 N TRP A 119 3.002 -5.997 0.060 1.00 0.00 N ATOM 1871 CA TRP A 119 2.059 -7.118 0.026 1.00 0.00 C ATOM 1872 C TRP A 119 1.520 -7.367 -1.393 1.00 0.00 C ATOM 1873 O TRP A 119 1.430 -8.518 -1.835 1.00 0.00 O ATOM 1874 CB TRP A 119 0.941 -6.839 1.042 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.328 -7.613 0.873 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.302 -7.309 -0.013 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.814 -8.780 1.606 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.334 -8.209 0.104 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.114 -9.103 1.119 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.305 -9.594 2.639 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.882 -10.147 1.643 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.085 -10.621 3.208 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -2.381 -10.885 2.725 1.00 0.00 C ATOM 0 H TRP A 119 2.741 -5.260 0.716 1.00 0.00 H new ATOM 0 HA TRP A 119 2.569 -8.040 0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.331 -7.038 2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.700 -5.777 1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.274 -6.483 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.162 -8.211 -0.492 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.699 -9.428 3.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.848 -10.382 1.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.686 -11.210 4.021 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.986 -11.652 3.185 1.00 0.00 H new ATOM 1894 N LEU A 120 1.209 -6.299 -2.131 1.00 0.00 N ATOM 1895 CA LEU A 120 0.765 -6.360 -3.517 1.00 0.00 C ATOM 1896 C LEU A 120 1.829 -7.035 -4.380 1.00 0.00 C ATOM 1897 O LEU A 120 1.525 -8.007 -5.071 1.00 0.00 O ATOM 1898 CB LEU A 120 0.459 -4.925 -3.979 1.00 0.00 C ATOM 1899 CG LEU A 120 0.093 -4.742 -5.463 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.241 -5.402 -5.819 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.019 -3.239 -5.747 1.00 0.00 C ATOM 0 H LEU A 120 1.262 -5.347 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.140 -6.960 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.363 -4.541 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.329 -4.305 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 120 0.856 -5.224 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.454 -5.245 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.184 -6.471 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.037 -4.961 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.239 -3.079 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.742 -2.786 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.986 -2.781 -5.538 1.00 0.00 H new ATOM 1913 N ALA A 121 3.079 -6.565 -4.303 1.00 0.00 N ATOM 1914 CA ALA A 121 4.190 -7.151 -5.044 1.00 0.00 C ATOM 1915 C ALA A 121 4.483 -8.590 -4.598 1.00 0.00 C ATOM 1916 O ALA A 121 4.883 -9.416 -5.419 1.00 0.00 O ATOM 1917 CB ALA A 121 5.433 -6.269 -4.876 1.00 0.00 C ATOM 0 H ALA A 121 3.344 -5.768 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 121 3.912 -7.197 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.265 -6.704 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.225 -5.270 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.693 -6.204 -3.819 1.00 0.00 H new ATOM 1923 N ARG A 122 4.277 -8.908 -3.314 1.00 0.00 N ATOM 1924 CA ARG A 122 4.517 -10.235 -2.748 1.00 0.00 C ATOM 1925 C ARG A 122 3.596 -11.269 -3.391 1.00 0.00 C ATOM 1926 O ARG A 122 4.008 -12.420 -3.534 1.00 0.00 O ATOM 1927 CB ARG A 122 4.322 -10.198 -1.215 1.00 0.00 C ATOM 1928 CG ARG A 122 4.925 -11.411 -0.487 1.00 0.00 C ATOM 1929 CD ARG A 122 6.442 -11.279 -0.279 1.00 0.00 C ATOM 1930 NE ARG A 122 6.769 -10.797 1.075 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.942 -10.983 1.692 1.00 0.00 C ATOM 1932 NH1 ARG A 122 9.025 -11.369 1.024 1.00 0.00 N ATOM 1933 NH2 ARG A 122 8.023 -10.796 2.999 1.00 0.00 N ATOM 0 H ARG A 122 3.932 -8.235 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 122 5.546 -10.527 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.774 -9.287 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.256 -10.146 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.438 -11.529 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.717 -12.315 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.917 -12.246 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.852 -10.591 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 122 6.047 -10.283 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.973 -11.530 0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.907 -11.504 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.197 -10.513 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.912 -10.935 3.480 1.00 0.00 H new