USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 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 -179:sc= 0 (180deg=-0.000388) USER MOD Set 1.2: A 74 CYS SG : rot 123:sc= 0.317 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 143:sc= -1.14 (180deg=-3.79!) 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= 1.28 USER MOD Single : A 45 MET CE :methyl -163:sc= -0.116 (180deg=-0.385) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.1) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.651) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 140:sc= -0.084 (180deg=-1.73) 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+ -179:sc= 0.898 (180deg=0.828) USER MOD Single : A 98 SER OG : rot 180:sc= 0.581 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 110 GLN : amide:sc= 0.173 X(o=0.17,f=-0.15) USER MOD Single : A 118 TYR OH : rot -27:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.637 -7.892 13.195 1.00 0.00 N ATOM 281 CA ILE A 18 -2.476 -7.640 12.018 1.00 0.00 C ATOM 282 C ILE A 18 -3.334 -8.875 11.737 1.00 0.00 C ATOM 283 O ILE A 18 -4.536 -8.730 11.522 1.00 0.00 O ATOM 284 CB ILE A 18 -1.618 -7.179 10.810 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.708 -5.996 11.229 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.504 -6.782 9.615 1.00 0.00 C ATOM 287 CD1 ILE A 18 0.054 -5.300 10.096 1.00 0.00 C ATOM 0 HA ILE A 18 -3.160 -6.813 12.212 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.993 -8.015 10.495 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.323 -5.253 11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.017 -6.361 11.957 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.874 -6.464 8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.105 -7.638 9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.162 -5.963 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.657 -4.490 10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.704 -6.020 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.656 -4.894 9.375 1.00 0.00 H new ATOM 299 N ILE A 19 -2.764 -10.085 11.799 1.00 0.00 N ATOM 300 CA ILE A 19 -3.448 -11.313 11.383 1.00 0.00 C ATOM 301 C ILE A 19 -3.366 -12.431 12.441 1.00 0.00 C ATOM 302 O ILE A 19 -3.577 -13.597 12.121 1.00 0.00 O ATOM 303 CB ILE A 19 -2.953 -11.730 9.988 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.429 -11.906 9.998 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.397 -10.710 8.917 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.967 -12.660 8.769 1.00 0.00 C ATOM 0 H ILE A 19 -1.815 -10.239 12.139 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.516 -11.112 11.303 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.403 -12.688 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.946 -10.930 10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.126 -12.445 10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.034 -11.028 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.485 -10.652 8.899 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.985 -9.729 9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.117 -12.773 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.434 -13.645 8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.251 -12.106 7.874 1.00 0.00 H new ATOM 318 N VAL A 20 -3.075 -12.092 13.700 1.00 0.00 N ATOM 319 CA VAL A 20 -2.864 -13.048 14.793 1.00 0.00 C ATOM 320 C VAL A 20 -3.993 -14.086 14.954 1.00 0.00 C ATOM 321 O VAL A 20 -3.710 -15.256 15.219 1.00 0.00 O ATOM 322 CB VAL A 20 -2.569 -12.261 16.092 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.788 -11.495 16.633 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.000 -13.165 17.192 1.00 0.00 C ATOM 0 H VAL A 20 -2.977 -11.121 13.996 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.999 -13.662 14.542 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.817 -11.524 15.810 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.510 -10.966 17.545 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.128 -10.777 15.886 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.592 -12.198 16.852 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.807 -12.572 18.086 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.719 -13.951 17.425 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.069 -13.615 16.848 1.00 0.00 H new ATOM 334 N ASP A 21 -5.259 -13.689 14.769 1.00 0.00 N ATOM 335 CA ASP A 21 -6.437 -14.559 14.946 1.00 0.00 C ATOM 336 C ASP A 21 -7.030 -14.991 13.587 1.00 0.00 C ATOM 337 O ASP A 21 -8.055 -15.692 13.495 1.00 0.00 O ATOM 338 CB ASP A 21 -7.472 -13.809 15.797 1.00 0.00 C ATOM 339 CG ASP A 21 -8.684 -14.681 16.169 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.502 -15.744 16.806 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.834 -14.274 15.891 1.00 0.00 O ATOM 0 H ASP A 21 -5.501 -12.739 14.487 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.140 -15.475 15.457 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.995 -13.451 16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.816 -12.931 15.251 1.00 0.00 H new ATOM 346 N ALA A 22 -6.372 -14.532 12.517 1.00 0.00 N ATOM 347 CA ALA A 22 -6.836 -14.620 11.156 1.00 0.00 C ATOM 348 C ALA A 22 -6.081 -15.727 10.430 1.00 0.00 C ATOM 349 O ALA A 22 -4.853 -15.801 10.468 1.00 0.00 O ATOM 350 CB ALA A 22 -6.630 -13.278 10.446 1.00 0.00 C ATOM 0 H ALA A 22 -5.465 -14.072 12.595 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.900 -14.855 11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.983 -13.353 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.190 -12.501 10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.570 -13.024 10.448 1.00 0.00 H new ATOM 356 N GLU A 23 -6.827 -16.519 9.677 1.00 0.00 N ATOM 357 CA GLU A 23 -6.331 -17.510 8.716 1.00 0.00 C ATOM 358 C GLU A 23 -7.336 -17.659 7.571 1.00 0.00 C ATOM 359 O GLU A 23 -6.949 -17.978 6.448 1.00 0.00 O ATOM 360 CB GLU A 23 -6.137 -18.926 9.300 1.00 0.00 C ATOM 361 CG GLU A 23 -5.459 -19.103 10.667 1.00 0.00 C ATOM 362 CD GLU A 23 -6.500 -19.073 11.793 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.277 -20.038 11.966 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.661 -18.044 12.478 1.00 0.00 O ATOM 0 H GLU A 23 -7.846 -16.492 9.716 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.360 -17.131 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.122 -19.389 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.561 -19.500 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.917 -20.048 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.726 -18.311 10.821 1.00 0.00 H new ATOM 371 N ASP A 24 -8.629 -17.473 7.857 1.00 0.00 N ATOM 372 CA ASP A 24 -9.706 -17.624 6.914 1.00 0.00 C ATOM 373 C ASP A 24 -9.627 -16.374 6.035 1.00 0.00 C ATOM 374 O ASP A 24 -9.302 -15.290 6.531 1.00 0.00 O ATOM 375 CB ASP A 24 -11.020 -17.761 7.704 1.00 0.00 C ATOM 376 CG ASP A 24 -11.013 -18.933 8.725 1.00 0.00 C ATOM 377 OD1 ASP A 24 -10.577 -18.773 9.900 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.464 -20.039 8.349 1.00 0.00 O ATOM 0 H ASP A 24 -8.949 -17.204 8.787 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.649 -18.510 6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.214 -16.829 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.842 -17.906 7.003 1.00 0.00 H new ATOM 383 N LYS A 25 -9.893 -16.496 4.731 1.00 0.00 N ATOM 384 CA LYS A 25 -9.609 -15.408 3.783 1.00 0.00 C ATOM 385 C LYS A 25 -10.267 -14.076 4.143 1.00 0.00 C ATOM 386 O LYS A 25 -9.663 -13.021 3.939 1.00 0.00 O ATOM 387 CB LYS A 25 -9.876 -15.819 2.319 1.00 0.00 C ATOM 388 CG LYS A 25 -11.343 -15.848 1.842 1.00 0.00 C ATOM 389 CD LYS A 25 -12.226 -16.981 2.392 1.00 0.00 C ATOM 390 CE LYS A 25 -11.770 -18.359 1.881 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.682 -19.451 2.309 1.00 0.00 N ATOM 0 H LYS A 25 -10.301 -17.329 4.308 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.538 -15.227 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.326 -15.135 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.453 -16.812 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.806 -14.897 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.346 -15.912 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.196 -16.969 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.262 -16.809 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.716 -18.340 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.764 -18.565 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.333 -20.359 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.715 -19.488 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.637 -19.271 1.938 1.00 0.00 H new ATOM 405 N GLU A 26 -11.476 -14.129 4.702 1.00 0.00 N ATOM 406 CA GLU A 26 -12.208 -12.941 5.112 1.00 0.00 C ATOM 407 C GLU A 26 -11.468 -12.274 6.270 1.00 0.00 C ATOM 408 O GLU A 26 -11.273 -11.062 6.264 1.00 0.00 O ATOM 409 CB GLU A 26 -13.640 -13.324 5.523 1.00 0.00 C ATOM 410 CG GLU A 26 -14.454 -13.900 4.353 1.00 0.00 C ATOM 411 CD GLU A 26 -15.903 -14.211 4.769 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.159 -15.292 5.346 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.809 -13.389 4.502 1.00 0.00 O ATOM 0 H GLU A 26 -11.973 -15.002 4.882 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.271 -12.238 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.600 -14.057 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.149 -12.444 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.457 -13.189 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.976 -14.810 3.990 1.00 0.00 H new ATOM 420 N GLU A 27 -11.002 -13.061 7.244 1.00 0.00 N ATOM 421 CA GLU A 27 -10.322 -12.543 8.422 1.00 0.00 C ATOM 422 C GLU A 27 -8.972 -11.963 8.040 1.00 0.00 C ATOM 423 O GLU A 27 -8.599 -10.916 8.557 1.00 0.00 O ATOM 424 CB GLU A 27 -10.037 -13.656 9.425 1.00 0.00 C ATOM 425 CG GLU A 27 -11.257 -14.449 9.881 1.00 0.00 C ATOM 426 CD GLU A 27 -10.807 -15.604 10.776 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.704 -16.168 10.557 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.537 -15.963 11.727 1.00 0.00 O ATOM 0 H GLU A 27 -11.089 -14.077 7.232 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.976 -11.787 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.320 -14.347 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.559 -13.219 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.944 -13.800 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.798 -14.834 9.017 1.00 0.00 H new ATOM 435 N ARG A 28 -8.224 -12.645 7.162 1.00 0.00 N ATOM 436 CA ARG A 28 -6.916 -12.161 6.720 1.00 0.00 C ATOM 437 C ARG A 28 -7.080 -10.773 6.116 1.00 0.00 C ATOM 438 O ARG A 28 -6.441 -9.829 6.582 1.00 0.00 O ATOM 439 CB ARG A 28 -6.283 -13.166 5.739 1.00 0.00 C ATOM 440 CG ARG A 28 -5.664 -14.361 6.482 1.00 0.00 C ATOM 441 CD ARG A 28 -4.259 -14.025 7.003 1.00 0.00 C ATOM 442 NE ARG A 28 -3.803 -14.998 8.009 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.811 -15.892 7.927 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.058 -15.993 6.837 1.00 0.00 N ATOM 445 NH2 ARG A 28 -2.596 -16.680 8.973 1.00 0.00 N ATOM 0 H ARG A 28 -8.505 -13.533 6.746 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.233 -12.078 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.041 -13.522 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.516 -12.666 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.305 -14.646 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.611 -15.220 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.557 -14.007 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.262 -13.026 7.439 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.314 -14.989 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.231 -15.381 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.307 -16.682 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.179 -16.593 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.848 -17.373 8.944 1.00 0.00 H new ATOM 459 N ALA A 29 -7.994 -10.634 5.157 1.00 0.00 N ATOM 460 CA ALA A 29 -8.286 -9.355 4.534 1.00 0.00 C ATOM 461 C ALA A 29 -8.767 -8.309 5.550 1.00 0.00 C ATOM 462 O ALA A 29 -8.326 -7.162 5.486 1.00 0.00 O ATOM 463 CB ALA A 29 -9.322 -9.586 3.441 1.00 0.00 C ATOM 0 H ALA A 29 -8.550 -11.408 4.794 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.371 -8.949 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.558 -8.638 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.923 -10.281 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.227 -10.005 3.880 1.00 0.00 H new ATOM 469 N MET A 30 -9.634 -8.675 6.501 1.00 0.00 N ATOM 470 CA MET A 30 -10.069 -7.752 7.550 1.00 0.00 C ATOM 471 C MET A 30 -8.905 -7.316 8.435 1.00 0.00 C ATOM 472 O MET A 30 -8.817 -6.138 8.772 1.00 0.00 O ATOM 473 CB MET A 30 -11.202 -8.349 8.393 1.00 0.00 C ATOM 474 CG MET A 30 -12.547 -8.405 7.656 1.00 0.00 C ATOM 475 SD MET A 30 -13.259 -6.817 7.137 1.00 0.00 S ATOM 476 CE MET A 30 -12.518 -6.595 5.494 1.00 0.00 C ATOM 0 H MET A 30 -10.047 -9.605 6.564 1.00 0.00 H new ATOM 0 HA MET A 30 -10.457 -6.864 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.923 -9.357 8.701 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.319 -7.758 9.302 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.424 -9.028 6.770 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.268 -8.907 8.301 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.246 -6.136 4.825 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.642 -5.951 5.574 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.220 -7.565 5.095 1.00 0.00 H new ATOM 486 N GLY A 31 -7.988 -8.223 8.768 1.00 0.00 N ATOM 487 CA GLY A 31 -6.787 -7.912 9.519 1.00 0.00 C ATOM 488 C GLY A 31 -5.980 -6.836 8.803 1.00 0.00 C ATOM 489 O GLY A 31 -5.650 -5.815 9.414 1.00 0.00 O ATOM 0 H GLY A 31 -8.066 -9.208 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.053 -7.571 10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.182 -8.811 9.639 1.00 0.00 H new ATOM 493 N TRP A 32 -5.738 -7.027 7.497 1.00 0.00 N ATOM 494 CA TRP A 32 -5.063 -6.026 6.674 1.00 0.00 C ATOM 495 C TRP A 32 -5.807 -4.688 6.778 1.00 0.00 C ATOM 496 O TRP A 32 -5.212 -3.675 7.137 1.00 0.00 O ATOM 497 CB TRP A 32 -4.993 -6.436 5.188 1.00 0.00 C ATOM 498 CG TRP A 32 -4.478 -7.780 4.755 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.883 -8.739 5.502 1.00 0.00 C ATOM 500 CD2 TRP A 32 -4.573 -8.345 3.414 1.00 0.00 C ATOM 501 NE1 TRP A 32 -3.568 -9.832 4.715 1.00 0.00 N ATOM 502 CE2 TRP A 32 -3.993 -9.647 3.418 1.00 0.00 C ATOM 503 CE3 TRP A 32 -5.124 -7.888 2.198 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -3.959 -10.448 2.270 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -5.119 -8.696 1.047 1.00 0.00 C ATOM 506 CH2 TRP A 32 -4.539 -9.974 1.083 1.00 0.00 C ATOM 0 H TRP A 32 -6.004 -7.872 6.991 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.044 -5.937 7.049 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.003 -6.343 4.789 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.381 -5.688 4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.683 -8.662 6.560 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.085 -10.665 5.051 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.557 -6.900 2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.491 -11.421 2.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.563 -8.332 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.539 -10.592 0.198 1.00 0.00 H new ATOM 517 N TYR A 33 -7.112 -4.698 6.491 1.00 0.00 N ATOM 518 CA TYR A 33 -7.954 -3.521 6.376 1.00 0.00 C ATOM 519 C TYR A 33 -7.961 -2.704 7.666 1.00 0.00 C ATOM 520 O TYR A 33 -7.779 -1.487 7.610 1.00 0.00 O ATOM 521 CB TYR A 33 -9.363 -3.998 5.991 1.00 0.00 C ATOM 522 CG TYR A 33 -10.495 -3.006 6.176 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.444 -1.735 5.577 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.612 -3.367 6.951 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.508 -0.831 5.743 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.670 -2.464 7.137 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.634 -1.195 6.517 1.00 0.00 C ATOM 528 OH TYR A 33 -13.679 -0.335 6.677 1.00 0.00 O ATOM 0 H TYR A 33 -7.624 -5.565 6.327 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.565 -2.853 5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.345 -4.301 4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.592 -4.888 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.585 -1.452 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.656 -4.346 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.465 0.143 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.512 -2.739 7.754 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.364 -0.754 7.239 1.00 0.00 H new ATOM 538 N TYR A 34 -8.138 -3.353 8.821 1.00 0.00 N ATOM 539 CA TYR A 34 -8.247 -2.661 10.096 1.00 0.00 C ATOM 540 C TYR A 34 -6.935 -1.949 10.424 1.00 0.00 C ATOM 541 O TYR A 34 -6.957 -0.781 10.815 1.00 0.00 O ATOM 542 CB TYR A 34 -8.603 -3.655 11.214 1.00 0.00 C ATOM 543 CG TYR A 34 -9.927 -4.410 11.130 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.975 -4.024 10.262 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.109 -5.525 11.973 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.187 -4.740 10.252 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.316 -6.245 11.966 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.365 -5.851 11.106 1.00 0.00 C ATOM 549 OH TYR A 34 -13.546 -6.532 11.088 1.00 0.00 O ATOM 0 H TYR A 34 -8.209 -4.368 8.892 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.041 -1.918 10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.804 -4.394 11.266 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.593 -3.109 12.157 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.845 -3.177 9.605 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.310 -5.830 12.633 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.984 -4.439 9.589 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.441 -7.098 12.617 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.508 -7.270 11.732 1.00 0.00 H new ATOM 559 N TYR A 35 -5.791 -2.623 10.259 1.00 0.00 N ATOM 560 CA TYR A 35 -4.505 -2.029 10.595 1.00 0.00 C ATOM 561 C TYR A 35 -4.113 -0.959 9.576 1.00 0.00 C ATOM 562 O TYR A 35 -3.554 0.070 9.963 1.00 0.00 O ATOM 563 CB TYR A 35 -3.438 -3.124 10.671 1.00 0.00 C ATOM 564 CG TYR A 35 -2.125 -2.645 11.258 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.125 -2.113 10.422 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.904 -2.732 12.647 1.00 0.00 C ATOM 567 CE1 TYR A 35 0.096 -1.679 10.965 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.683 -2.305 13.197 1.00 0.00 C ATOM 569 CZ TYR A 35 0.324 -1.774 12.358 1.00 0.00 C ATOM 570 OH TYR A 35 1.505 -1.361 12.901 1.00 0.00 O ATOM 0 H TYR A 35 -5.736 -3.575 9.896 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.585 -1.543 11.567 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.817 -3.949 11.273 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.258 -3.516 9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.297 -2.038 9.358 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.675 -3.128 13.291 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.860 -1.273 10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.514 -2.382 14.261 1.00 0.00 H new ATOM 0 HH TYR A 35 1.485 -1.500 13.871 1.00 0.00 H new ATOM 580 N LEU A 36 -4.413 -1.165 8.286 1.00 0.00 N ATOM 581 CA LEU A 36 -4.125 -0.177 7.257 1.00 0.00 C ATOM 582 C LEU A 36 -4.921 1.078 7.548 1.00 0.00 C ATOM 583 O LEU A 36 -4.293 2.129 7.650 1.00 0.00 O ATOM 584 CB LEU A 36 -4.421 -0.691 5.837 1.00 0.00 C ATOM 585 CG LEU A 36 -3.149 -1.119 5.083 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.353 -2.232 5.779 1.00 0.00 C ATOM 587 CD2 LEU A 36 -3.554 -1.601 3.688 1.00 0.00 C ATOM 0 H LEU A 36 -4.857 -2.014 7.937 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.057 0.038 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.105 -1.537 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.929 0.090 5.271 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.495 -0.248 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.472 -2.476 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.041 -1.893 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.979 -3.118 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.665 -1.909 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.236 -2.447 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.050 -0.791 3.153 1.00 0.00 H new ATOM 599 N ASP A 37 -6.245 0.982 7.763 1.00 0.00 N ATOM 600 CA ASP A 37 -7.018 2.151 8.183 1.00 0.00 C ATOM 601 C ASP A 37 -6.357 2.756 9.373 1.00 0.00 C ATOM 602 O ASP A 37 -6.126 3.967 9.351 1.00 0.00 O ATOM 603 CB ASP A 37 -8.478 1.871 8.605 1.00 0.00 C ATOM 604 CG ASP A 37 -9.232 3.059 9.308 1.00 0.00 C ATOM 605 OD1 ASP A 37 -8.700 3.851 10.142 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.451 3.161 9.050 1.00 0.00 O ATOM 0 H ASP A 37 -6.787 0.125 7.654 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.049 2.794 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.043 1.582 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.483 1.014 9.279 1.00 0.00 H new ATOM 611 N ASP A 38 -6.038 1.965 10.408 1.00 0.00 N ATOM 612 CA ASP A 38 -5.654 2.665 11.602 1.00 0.00 C ATOM 613 C ASP A 38 -4.379 3.481 11.436 1.00 0.00 C ATOM 614 O ASP A 38 -4.311 4.596 11.955 1.00 0.00 O ATOM 615 CB ASP A 38 -5.761 1.918 12.922 1.00 0.00 C ATOM 616 CG ASP A 38 -5.958 2.997 14.025 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.548 4.081 13.742 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.535 2.759 15.179 1.00 0.00 O ATOM 0 H ASP A 38 -6.040 0.945 10.435 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.465 3.384 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.599 1.221 12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.862 1.331 13.110 1.00 0.00 H new ATOM 623 N THR A 39 -3.484 3.011 10.572 1.00 0.00 N ATOM 624 CA THR A 39 -2.206 3.646 10.329 1.00 0.00 C ATOM 625 C THR A 39 -2.406 4.895 9.458 1.00 0.00 C ATOM 626 O THR A 39 -1.845 5.954 9.741 1.00 0.00 O ATOM 627 CB THR A 39 -1.297 2.605 9.660 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.231 1.415 10.421 1.00 0.00 O ATOM 629 CG2 THR A 39 0.117 3.155 9.529 1.00 0.00 C ATOM 0 H THR A 39 -3.634 2.168 10.018 1.00 0.00 H new ATOM 0 HA THR A 39 -1.739 3.982 11.255 1.00 0.00 H new ATOM 0 HB THR A 39 -1.720 2.387 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.077 0.927 10.339 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.755 2.410 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.101 4.060 8.921 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.509 3.390 10.519 1.00 0.00 H new ATOM 637 N LEU A 40 -3.217 4.780 8.405 1.00 0.00 N ATOM 638 CA LEU A 40 -3.621 5.894 7.556 1.00 0.00 C ATOM 639 C LEU A 40 -4.369 6.939 8.398 1.00 0.00 C ATOM 640 O LEU A 40 -5.221 6.606 9.233 1.00 0.00 O ATOM 641 CB LEU A 40 -4.534 5.394 6.419 1.00 0.00 C ATOM 642 CG LEU A 40 -3.923 4.342 5.466 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.035 3.628 4.690 1.00 0.00 C ATOM 644 CD2 LEU A 40 -2.940 4.926 4.452 1.00 0.00 C ATOM 0 H LEU A 40 -3.618 3.888 8.115 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.731 6.347 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.435 4.971 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.845 6.254 5.826 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.371 3.653 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.595 2.889 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.705 3.130 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.597 4.357 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.553 4.128 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.451 5.664 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.114 5.403 4.979 1.00 0.00 H new ATOM 656 N GLU A 41 -4.118 8.215 8.112 1.00 0.00 N ATOM 657 CA GLU A 41 -4.808 9.358 8.707 1.00 0.00 C ATOM 658 C GLU A 41 -5.414 10.202 7.577 1.00 0.00 C ATOM 659 O GLU A 41 -5.162 11.401 7.438 1.00 0.00 O ATOM 660 CB GLU A 41 -3.865 10.120 9.657 1.00 0.00 C ATOM 661 CG GLU A 41 -3.538 9.315 10.927 1.00 0.00 C ATOM 662 CD GLU A 41 -4.751 9.168 11.869 1.00 0.00 C ATOM 663 OE1 GLU A 41 -4.978 10.068 12.710 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.486 8.153 11.795 1.00 0.00 O ATOM 0 H GLU A 41 -3.405 8.491 7.437 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.637 9.042 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.940 10.358 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.325 11.067 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.182 8.325 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.725 9.804 11.463 1.00 0.00 H new ATOM 671 N PHE A 42 -6.192 9.522 6.727 1.00 0.00 N ATOM 672 CA PHE A 42 -7.046 10.120 5.703 1.00 0.00 C ATOM 673 C PHE A 42 -8.076 11.090 6.332 1.00 0.00 C ATOM 674 O PHE A 42 -8.316 11.007 7.543 1.00 0.00 O ATOM 675 CB PHE A 42 -7.698 8.971 4.912 1.00 0.00 C ATOM 676 CG PHE A 42 -8.490 7.963 5.728 1.00 0.00 C ATOM 677 CD1 PHE A 42 -9.731 8.321 6.293 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.043 6.631 5.822 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.504 7.361 6.967 1.00 0.00 C ATOM 680 CE2 PHE A 42 -8.813 5.673 6.505 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.045 6.038 7.074 1.00 0.00 C ATOM 0 H PHE A 42 -6.244 8.503 6.736 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.462 10.733 5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.362 9.403 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.915 8.437 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.089 9.336 6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.106 6.344 5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.452 7.640 7.403 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.458 4.657 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.639 5.301 7.594 1.00 0.00 H new ATOM 691 N PRO A 43 -8.740 11.976 5.557 1.00 0.00 N ATOM 692 CA PRO A 43 -8.584 12.197 4.117 1.00 0.00 C ATOM 693 C PRO A 43 -7.192 12.734 3.774 1.00 0.00 C ATOM 694 O PRO A 43 -6.584 13.432 4.589 1.00 0.00 O ATOM 695 CB PRO A 43 -9.680 13.200 3.739 1.00 0.00 C ATOM 696 CG PRO A 43 -9.926 13.979 5.026 1.00 0.00 C ATOM 697 CD PRO A 43 -9.712 12.916 6.100 1.00 0.00 C ATOM 0 HA PRO A 43 -8.680 11.266 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.359 13.856 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.584 12.694 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.232 14.812 5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.932 14.396 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.345 13.364 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.648 12.412 6.340 1.00 0.00 H new ATOM 705 N PHE A 44 -6.681 12.409 2.582 1.00 0.00 N ATOM 706 CA PHE A 44 -5.395 12.932 2.120 1.00 0.00 C ATOM 707 C PHE A 44 -5.423 13.117 0.606 1.00 0.00 C ATOM 708 O PHE A 44 -6.254 12.525 -0.077 1.00 0.00 O ATOM 709 CB PHE A 44 -4.232 12.027 2.576 1.00 0.00 C ATOM 710 CG PHE A 44 -4.184 10.612 2.016 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.714 10.392 0.709 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.535 9.503 2.809 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.619 9.097 0.181 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.438 8.199 2.288 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.979 7.993 0.973 1.00 0.00 C ATOM 0 H PHE A 44 -7.141 11.785 1.920 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.225 13.909 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.297 12.524 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.265 11.958 3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.421 11.236 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.880 9.653 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.271 8.948 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.717 7.353 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.904 6.992 0.575 1.00 0.00 H new ATOM 725 N MET A 45 -4.523 13.930 0.059 1.00 0.00 N ATOM 726 CA MET A 45 -4.406 14.119 -1.382 1.00 0.00 C ATOM 727 C MET A 45 -3.405 13.102 -1.928 1.00 0.00 C ATOM 728 O MET A 45 -2.390 12.833 -1.285 1.00 0.00 O ATOM 729 CB MET A 45 -3.921 15.557 -1.628 1.00 0.00 C ATOM 730 CG MET A 45 -3.700 15.895 -3.103 1.00 0.00 C ATOM 731 SD MET A 45 -2.941 17.521 -3.347 1.00 0.00 S ATOM 732 CE MET A 45 -2.760 17.457 -5.143 1.00 0.00 C ATOM 0 H MET A 45 -3.855 14.476 0.603 1.00 0.00 H new ATOM 0 HA MET A 45 -5.360 13.969 -1.887 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.651 16.252 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.988 15.712 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.066 15.132 -3.554 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.656 15.864 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.049 18.218 -5.464 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.395 16.473 -5.437 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.726 17.641 -5.613 1.00 0.00 H new ATOM 742 N GLY A 46 -3.634 12.566 -3.126 1.00 0.00 N ATOM 743 CA GLY A 46 -2.689 11.677 -3.772 1.00 0.00 C ATOM 744 C GLY A 46 -2.805 11.750 -5.284 1.00 0.00 C ATOM 745 O GLY A 46 -3.628 12.483 -5.835 1.00 0.00 O ATOM 0 H GLY A 46 -4.480 12.740 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.675 11.940 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.865 10.654 -3.441 1.00 0.00 H new ATOM 749 N LYS A 47 -1.945 10.998 -5.958 1.00 0.00 N ATOM 750 CA LYS A 47 -2.053 10.757 -7.388 1.00 0.00 C ATOM 751 C LYS A 47 -2.632 9.355 -7.534 1.00 0.00 C ATOM 752 O LYS A 47 -2.108 8.405 -6.948 1.00 0.00 O ATOM 753 CB LYS A 47 -0.673 10.860 -8.072 1.00 0.00 C ATOM 754 CG LYS A 47 -0.781 11.094 -9.592 1.00 0.00 C ATOM 755 CD LYS A 47 -1.156 12.544 -9.955 1.00 0.00 C ATOM 756 CE LYS A 47 -0.004 13.547 -9.776 1.00 0.00 C ATOM 757 NZ LYS A 47 0.928 13.571 -10.931 1.00 0.00 N ATOM 0 H LYS A 47 -1.147 10.535 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.689 11.500 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.108 11.676 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.111 9.944 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.170 10.843 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.529 10.417 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.493 12.574 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.997 12.857 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.418 14.545 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.552 13.296 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.874 13.856 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.978 12.623 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.585 14.251 -11.640 1.00 0.00 H new ATOM 771 N TRP A 48 -3.722 9.222 -8.281 1.00 0.00 N ATOM 772 CA TRP A 48 -4.237 7.929 -8.689 1.00 0.00 C ATOM 773 C TRP A 48 -3.410 7.586 -9.928 1.00 0.00 C ATOM 774 O TRP A 48 -3.600 8.178 -10.992 1.00 0.00 O ATOM 775 CB TRP A 48 -5.755 8.004 -8.944 1.00 0.00 C ATOM 776 CG TRP A 48 -6.471 6.714 -9.239 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.891 5.507 -9.410 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.907 6.470 -9.392 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.843 4.547 -9.667 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.110 5.086 -9.686 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.066 7.274 -9.305 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.384 4.537 -9.898 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.351 6.735 -9.512 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.513 5.370 -9.808 1.00 0.00 C ATOM 0 H TRP A 48 -4.272 10.012 -8.619 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.140 7.150 -7.933 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.222 8.456 -8.069 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.923 8.682 -9.781 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.829 5.321 -9.353 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.636 3.561 -9.824 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.964 8.324 -9.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.496 3.488 -10.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.218 7.375 -9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.501 4.963 -9.966 1.00 0.00 H new ATOM 795 N LYS A 49 -2.438 6.688 -9.776 1.00 0.00 N ATOM 796 CA LYS A 49 -1.575 6.181 -10.839 1.00 0.00 C ATOM 797 C LYS A 49 -2.269 4.941 -11.408 1.00 0.00 C ATOM 798 O LYS A 49 -1.818 3.811 -11.220 1.00 0.00 O ATOM 799 CB LYS A 49 -0.177 5.889 -10.260 1.00 0.00 C ATOM 800 CG LYS A 49 0.596 7.195 -10.003 1.00 0.00 C ATOM 801 CD LYS A 49 1.877 7.023 -9.176 1.00 0.00 C ATOM 802 CE LYS A 49 2.852 6.001 -9.778 1.00 0.00 C ATOM 803 NZ LYS A 49 4.191 6.075 -9.146 1.00 0.00 N ATOM 0 H LYS A 49 -2.222 6.276 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.424 6.899 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.274 5.330 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.383 5.260 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.855 7.644 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.061 7.897 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.378 7.987 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.611 6.711 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.447 4.997 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.946 6.177 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.772 5.275 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.652 6.968 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.089 6.034 -8.112 1.00 0.00 H new ATOM 817 N LYS A 50 -3.442 5.160 -12.002 1.00 0.00 N ATOM 818 CA LYS A 50 -4.341 4.107 -12.456 1.00 0.00 C ATOM 819 C LYS A 50 -3.625 3.239 -13.488 1.00 0.00 C ATOM 820 O LYS A 50 -3.309 3.729 -14.570 1.00 0.00 O ATOM 821 CB LYS A 50 -5.630 4.745 -13.002 1.00 0.00 C ATOM 822 CG LYS A 50 -6.737 3.703 -13.215 1.00 0.00 C ATOM 823 CD LYS A 50 -8.076 4.391 -13.520 1.00 0.00 C ATOM 824 CE LYS A 50 -9.211 3.359 -13.584 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.543 4.001 -13.737 1.00 0.00 N ATOM 0 H LYS A 50 -3.799 6.098 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.626 3.454 -11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.979 5.509 -12.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.416 5.246 -13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.467 3.040 -14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.836 3.082 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.294 5.132 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.009 4.925 -14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.038 2.681 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.202 2.755 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.279 3.268 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.721 4.628 -12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.562 4.557 -14.616 1.00 0.00 H new ATOM 976 N GLU A 59 -1.460 5.641 -15.856 1.00 0.00 N ATOM 977 CA GLU A 59 -1.982 6.936 -16.248 1.00 0.00 C ATOM 978 C GLU A 59 -2.227 7.665 -14.926 1.00 0.00 C ATOM 979 O GLU A 59 -2.463 7.025 -13.898 1.00 0.00 O ATOM 980 CB GLU A 59 -3.268 6.793 -17.080 1.00 0.00 C ATOM 981 CG GLU A 59 -3.007 6.363 -18.535 1.00 0.00 C ATOM 982 CD GLU A 59 -2.161 7.363 -19.352 1.00 0.00 C ATOM 983 OE1 GLU A 59 -2.206 8.588 -19.095 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.466 6.935 -20.303 1.00 0.00 O ATOM 0 HA GLU A 59 -1.294 7.487 -16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.921 6.062 -16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.801 7.744 -17.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.502 5.397 -18.531 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.964 6.220 -19.036 1.00 0.00 H new ATOM 991 N GLU A 60 -2.153 8.993 -14.926 1.00 0.00 N ATOM 992 CA GLU A 60 -2.144 9.776 -13.696 1.00 0.00 C ATOM 993 C GLU A 60 -3.363 10.688 -13.637 1.00 0.00 C ATOM 994 O GLU A 60 -3.720 11.338 -14.625 1.00 0.00 O ATOM 995 CB GLU A 60 -0.845 10.593 -13.618 1.00 0.00 C ATOM 996 CG GLU A 60 0.373 9.711 -13.318 1.00 0.00 C ATOM 997 CD GLU A 60 1.658 10.545 -13.196 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.803 11.291 -12.201 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.533 10.460 -14.089 1.00 0.00 O ATOM 0 H GLU A 60 -2.098 9.554 -15.776 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.188 9.103 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.689 11.117 -14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.941 11.353 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.206 9.161 -12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.492 8.972 -14.110 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.968 10.770 -12.451 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.058 11.680 -12.121 1.00 0.00 C ATOM 1008 C LYS A 61 -4.746 12.218 -10.729 1.00 0.00 C ATOM 1009 O LYS A 61 -4.329 11.445 -9.866 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.363 10.867 -12.154 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.604 11.637 -11.678 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.771 10.680 -11.385 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.312 9.921 -12.605 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.813 10.837 -13.662 1.00 0.00 N ATOM 0 H LYS A 61 -3.699 10.179 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.166 12.514 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.535 10.520 -13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.240 9.980 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.361 12.205 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.903 12.357 -12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.447 9.954 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.586 11.251 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.524 9.291 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.118 9.258 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.721 10.483 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.947 11.788 -13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.122 10.882 -14.438 1.00 0.00 H new ATOM 1028 N THR A 62 -4.934 13.511 -10.488 1.00 0.00 N ATOM 1029 CA THR A 62 -4.701 14.094 -9.171 1.00 0.00 C ATOM 1030 C THR A 62 -6.018 14.014 -8.398 1.00 0.00 C ATOM 1031 O THR A 62 -7.072 14.399 -8.916 1.00 0.00 O ATOM 1032 CB THR A 62 -4.138 15.512 -9.338 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.027 15.489 -10.221 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.633 16.057 -8.006 1.00 0.00 C ATOM 0 H THR A 62 -5.249 14.179 -11.192 1.00 0.00 H new ATOM 0 HA THR A 62 -3.952 13.554 -8.592 1.00 0.00 H new ATOM 0 HB THR A 62 -4.941 16.139 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.673 16.397 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.239 17.063 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.455 16.088 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.844 15.410 -7.624 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.980 13.498 -7.169 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.176 13.151 -6.424 1.00 0.00 C ATOM 1044 C VAL A 63 -7.055 13.494 -4.942 1.00 0.00 C ATOM 1045 O VAL A 63 -5.964 13.650 -4.394 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.455 11.640 -6.574 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.735 11.217 -8.021 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.316 10.746 -6.051 1.00 0.00 C ATOM 0 H VAL A 63 -5.112 13.311 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.998 13.737 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.345 11.493 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.923 10.144 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.609 11.751 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.872 11.455 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.583 9.698 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.401 10.963 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.157 10.943 -4.991 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.205 13.562 -4.288 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.345 13.642 -2.846 1.00 0.00 C ATOM 1060 C GLU A 64 -9.027 12.336 -2.445 1.00 0.00 C ATOM 1061 O GLU A 64 -10.080 12.004 -2.989 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.156 14.885 -2.450 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.295 14.991 -0.925 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.932 16.327 -0.506 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.179 16.442 -0.496 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.191 17.277 -0.163 1.00 0.00 O ATOM 0 H GLU A 64 -9.103 13.563 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.390 13.752 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.668 15.780 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.145 14.838 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.904 14.165 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.313 14.894 -0.462 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.421 11.570 -1.540 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.061 10.385 -0.978 1.00 0.00 C ATOM 1075 C VAL A 65 -9.830 10.794 0.267 1.00 0.00 C ATOM 1076 O VAL A 65 -9.349 11.600 1.068 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.095 9.210 -0.724 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.176 8.966 -1.933 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.293 9.261 0.579 1.00 0.00 C ATOM 0 H VAL A 65 -7.484 11.751 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.754 9.989 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.759 8.356 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.508 8.131 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.781 8.732 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.586 9.862 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.650 8.383 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.679 10.162 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.977 9.275 1.427 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.016 10.218 0.435 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.901 10.523 1.548 1.00 0.00 C ATOM 1091 C LEU A 66 -11.679 9.528 2.689 1.00 0.00 C ATOM 1092 O LEU A 66 -11.972 9.851 3.840 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.372 10.511 1.089 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.777 11.540 0.008 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.261 12.953 0.307 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.347 11.141 -1.410 1.00 0.00 C ATOM 0 H LEU A 66 -11.391 9.519 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.669 11.523 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.601 9.515 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.002 10.673 1.964 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.866 11.545 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.576 13.631 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.667 13.295 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.172 12.939 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.664 11.909 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.262 11.040 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.809 10.190 -1.676 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.142 8.340 2.391 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.843 7.311 3.358 1.00 0.00 C ATOM 1110 C GLY A 67 -10.816 5.951 2.689 1.00 0.00 C ATOM 1111 O GLY A 67 -11.050 5.833 1.486 1.00 0.00 O ATOM 0 H GLY A 67 -10.901 8.073 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.880 7.512 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.591 7.319 4.151 1.00 0.00 H new ATOM 1115 N MET A 68 -10.513 4.924 3.474 1.00 0.00 N ATOM 1116 CA MET A 68 -10.655 3.538 3.038 1.00 0.00 C ATOM 1117 C MET A 68 -12.128 3.264 2.716 1.00 0.00 C ATOM 1118 O MET A 68 -13.033 3.829 3.339 1.00 0.00 O ATOM 1119 CB MET A 68 -10.140 2.557 4.105 1.00 0.00 C ATOM 1120 CG MET A 68 -8.617 2.597 4.305 1.00 0.00 C ATOM 1121 SD MET A 68 -7.610 1.822 3.004 1.00 0.00 S ATOM 1122 CE MET A 68 -7.879 0.061 3.354 1.00 0.00 C ATOM 0 H MET A 68 -10.163 5.026 4.427 1.00 0.00 H new ATOM 0 HA MET A 68 -10.050 3.386 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.627 2.780 5.054 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.433 1.545 3.826 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.312 3.639 4.398 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.384 2.111 5.252 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.309 -0.542 2.647 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.551 -0.163 4.369 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.939 -0.172 3.256 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.356 2.386 1.741 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.674 1.874 1.396 1.00 0.00 C ATOM 1134 C ALA A 69 -14.258 1.073 2.577 1.00 0.00 C ATOM 1135 O ALA A 69 -13.503 0.669 3.471 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.520 1.000 0.147 1.00 0.00 C ATOM 0 H ALA A 69 -11.611 2.005 1.158 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.367 2.689 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.493 0.599 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.120 1.600 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.837 0.177 0.360 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.578 0.812 2.597 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.183 -0.032 3.618 1.00 0.00 C ATOM 1144 C PRO A 70 -15.667 -1.473 3.533 1.00 0.00 C ATOM 1145 O PRO A 70 -15.155 -1.926 2.503 1.00 0.00 O ATOM 1146 CB PRO A 70 -17.698 0.058 3.392 1.00 0.00 C ATOM 1147 CG PRO A 70 -17.821 0.425 1.916 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.600 1.312 1.687 1.00 0.00 C ATOM 0 HA PRO A 70 -15.922 0.303 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.193 -0.888 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.154 0.813 4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.806 -0.458 1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.751 0.954 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.264 1.257 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.831 2.357 1.892 1.00 0.00 H new ATOM 1156 N ASP A 71 -15.877 -2.219 4.619 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.468 -3.613 4.766 1.00 0.00 C ATOM 1158 C ASP A 71 -15.992 -4.510 3.641 1.00 0.00 C ATOM 1159 O ASP A 71 -15.329 -5.476 3.279 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.909 -4.165 6.130 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.382 -4.610 6.163 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.276 -3.736 6.203 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.653 -5.831 6.192 1.00 0.00 O ATOM 0 H ASP A 71 -16.352 -1.856 5.446 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.380 -3.624 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.275 -5.012 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.751 -3.401 6.891 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.140 -4.171 3.048 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.751 -4.943 1.967 1.00 0.00 C ATOM 1170 C ASP A 72 -16.859 -4.990 0.720 1.00 0.00 C ATOM 1171 O ASP A 72 -16.861 -5.982 -0.008 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.118 -4.350 1.614 1.00 0.00 C ATOM 1173 CG ASP A 72 -19.811 -5.162 0.507 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.198 -6.326 0.756 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.027 -4.622 -0.601 1.00 0.00 O ATOM 0 H ASP A 72 -17.676 -3.343 3.309 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.875 -5.967 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.749 -4.331 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -18.995 -3.317 1.288 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.062 -3.941 0.500 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.061 -3.893 -0.560 1.00 0.00 C ATOM 1182 C GLU A 73 -13.743 -4.459 -0.024 1.00 0.00 C ATOM 1183 O GLU A 73 -13.106 -5.292 -0.673 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.863 -2.438 -1.025 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.088 -1.817 -1.713 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.386 -2.464 -3.080 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.842 -2.000 -4.107 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.189 -3.421 -3.151 1.00 0.00 O ATOM 0 H GLU A 73 -16.097 -3.091 1.063 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.394 -4.488 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.598 -1.827 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.018 -2.401 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.958 -1.925 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.922 -0.748 -1.848 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.351 -4.054 1.189 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.051 -4.389 1.765 1.00 0.00 C ATOM 1197 C CYS A 74 -11.894 -5.861 2.183 1.00 0.00 C ATOM 1198 O CYS A 74 -10.869 -6.238 2.748 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.721 -3.411 2.894 1.00 0.00 C ATOM 1200 SG CYS A 74 -11.522 -1.748 2.191 1.00 0.00 S ATOM 0 H CYS A 74 -13.933 -3.481 1.800 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.313 -4.275 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.517 -3.413 3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.807 -3.717 3.403 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.345 -0.929 2.775 1.00 0.00 H new ATOM 1206 N LEU A 75 -12.888 -6.701 1.898 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.838 -8.153 2.055 1.00 0.00 C ATOM 1208 C LEU A 75 -12.104 -8.825 0.891 1.00 0.00 C ATOM 1209 O LEU A 75 -11.783 -10.010 0.992 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.276 -8.705 2.139 1.00 0.00 C ATOM 1211 CG LEU A 75 -14.840 -8.716 3.571 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.363 -8.864 3.525 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.240 -9.858 4.401 1.00 0.00 C ATOM 0 H LEU A 75 -13.785 -6.376 1.537 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.290 -8.375 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.927 -8.103 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.292 -9.720 1.741 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.571 -7.772 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.759 -8.871 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.793 -8.028 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.623 -9.798 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.660 -9.836 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.475 -10.812 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.158 -9.738 4.457 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.850 -8.105 -0.208 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.353 -8.691 -1.456 1.00 0.00 C ATOM 1227 C LYS A 76 -10.018 -8.082 -1.865 1.00 0.00 C ATOM 1228 O LYS A 76 -9.152 -8.804 -2.357 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.394 -8.496 -2.572 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.722 -9.217 -2.284 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.712 -9.025 -3.443 1.00 0.00 C ATOM 1232 CE LYS A 76 -16.078 -9.673 -3.164 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.027 -11.158 -3.140 1.00 0.00 N ATOM 0 H LYS A 76 -11.984 -7.095 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.193 -9.757 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.585 -7.431 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.984 -8.863 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.537 -10.280 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.157 -8.832 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.850 -7.959 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.289 -9.453 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.455 -9.313 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.788 -9.352 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.977 -11.535 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.695 -11.509 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.373 -11.471 -2.394 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.837 -6.781 -1.651 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.609 -6.039 -1.952 1.00 0.00 C ATOM 1249 C ASP A 77 -8.680 -4.736 -1.153 1.00 0.00 C ATOM 1250 O ASP A 77 -9.755 -4.388 -0.664 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.511 -5.766 -3.465 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.209 -5.075 -3.911 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.216 -5.076 -3.152 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.176 -4.572 -5.057 1.00 0.00 O ATOM 0 H ASP A 77 -10.565 -6.191 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.720 -6.606 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.605 -6.712 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.356 -5.146 -3.764 1.00 0.00 H new ATOM 1259 N MET A 78 -7.576 -4.018 -0.969 1.00 0.00 N ATOM 1260 CA MET A 78 -7.588 -2.758 -0.235 1.00 0.00 C ATOM 1261 C MET A 78 -8.087 -1.660 -1.171 1.00 0.00 C ATOM 1262 O MET A 78 -7.494 -1.425 -2.228 1.00 0.00 O ATOM 1263 CB MET A 78 -6.192 -2.445 0.314 1.00 0.00 C ATOM 1264 CG MET A 78 -5.699 -3.491 1.324 1.00 0.00 C ATOM 1265 SD MET A 78 -6.659 -3.699 2.859 1.00 0.00 S ATOM 1266 CE MET A 78 -7.872 -4.968 2.385 1.00 0.00 C ATOM 0 H MET A 78 -6.658 -4.290 -1.320 1.00 0.00 H new ATOM 0 HA MET A 78 -8.258 -2.825 0.622 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.486 -2.386 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.206 -1.465 0.791 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.662 -4.456 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.676 -3.236 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.008 -5.667 3.210 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.824 -4.492 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.512 -5.506 1.508 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.155 -0.962 -0.777 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.817 0.050 -1.591 1.00 0.00 C ATOM 1278 C TYR A 79 -9.995 1.330 -0.776 1.00 0.00 C ATOM 1279 O TYR A 79 -10.026 1.302 0.455 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.185 -0.463 -2.074 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.185 -1.565 -3.116 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.957 -1.260 -4.471 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.521 -2.881 -2.749 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.047 -2.263 -5.452 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.644 -3.885 -3.724 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.397 -3.582 -5.084 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.500 -4.544 -6.045 1.00 0.00 O ATOM 0 H TYR A 79 -9.590 -1.090 0.137 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.199 0.263 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.738 -0.820 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.740 0.384 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.711 -0.249 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.686 -3.121 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.849 -2.026 -6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.927 -4.887 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.747 -5.396 -5.629 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.157 2.447 -1.479 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.273 3.790 -0.935 1.00 0.00 C ATOM 1299 C VAL A 80 -11.344 4.523 -1.739 1.00 0.00 C ATOM 1300 O VAL A 80 -11.489 4.287 -2.939 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.909 4.526 -0.986 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.015 4.159 0.205 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.099 4.259 -2.267 1.00 0.00 C ATOM 0 H VAL A 80 -10.213 2.435 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.563 3.755 0.115 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.182 5.581 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.070 4.697 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.515 4.433 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.823 3.086 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.159 4.810 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.891 3.192 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.672 4.586 -3.135 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.108 5.388 -1.079 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.020 6.320 -1.729 1.00 0.00 C ATOM 1315 C GLU A 81 -12.170 7.509 -2.175 1.00 0.00 C ATOM 1316 O GLU A 81 -11.395 8.045 -1.377 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.123 6.763 -0.757 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.069 5.607 -0.402 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.254 6.092 0.452 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.117 6.201 1.692 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.344 6.353 -0.107 1.00 0.00 O ATOM 0 H GLU A 81 -12.110 5.461 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.521 5.859 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.669 7.154 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.695 7.577 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.442 5.147 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.519 4.838 0.140 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.301 7.928 -3.433 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.400 8.892 -4.061 1.00 0.00 C ATOM 1330 C VAL A 82 -12.210 9.842 -4.944 1.00 0.00 C ATOM 1331 O VAL A 82 -13.168 9.418 -5.585 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.329 8.107 -4.853 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.307 9.024 -5.514 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -9.583 7.068 -4.002 1.00 0.00 C ATOM 0 H VAL A 82 -13.044 7.604 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.890 9.506 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.893 7.580 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.577 8.424 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.815 9.694 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.797 9.611 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.846 6.553 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.078 7.569 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.295 6.343 -3.606 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.827 11.118 -5.009 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.510 12.157 -5.765 1.00 0.00 C ATOM 1346 C ALA A 83 -11.484 12.887 -6.624 1.00 0.00 C ATOM 1347 O ALA A 83 -10.358 13.138 -6.191 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.199 13.129 -4.805 1.00 0.00 C ATOM 0 H ALA A 83 -11.003 11.464 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.272 11.716 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.709 13.905 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.926 12.588 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.454 13.588 -4.155 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.871 13.200 -7.856 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.977 13.770 -8.865 1.00 0.00 C ATOM 1356 C ASP A 84 -10.907 15.286 -8.687 1.00 0.00 C ATOM 1357 O ASP A 84 -11.916 15.976 -8.830 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.512 13.378 -10.247 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.654 13.843 -11.437 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.858 14.798 -11.310 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.750 13.189 -12.503 1.00 0.00 O ATOM 0 H ASP A 84 -12.826 13.064 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.963 13.385 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.605 12.293 -10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.515 13.789 -10.361 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.728 15.812 -8.338 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.551 17.237 -8.058 1.00 0.00 C ATOM 1368 C ILE A 85 -9.643 18.054 -9.365 1.00 0.00 C ATOM 1369 O ILE A 85 -10.026 19.226 -9.330 1.00 0.00 O ATOM 1370 CB ILE A 85 -8.226 17.460 -7.280 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.254 16.731 -5.913 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.943 18.947 -7.006 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.930 16.796 -5.135 1.00 0.00 C ATOM 0 H ILE A 85 -8.874 15.263 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.355 17.597 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.440 17.057 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.044 17.164 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.515 15.685 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.005 19.044 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.869 19.484 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.754 19.368 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.036 16.262 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.138 16.336 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.676 17.837 -4.936 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.716 11.148 -6.831 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.731 10.380 -6.072 1.00 0.00 C ATOM 1459 C VAL A 92 -16.721 8.912 -6.547 1.00 0.00 C ATOM 1460 O VAL A 92 -17.764 8.337 -6.881 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.019 10.505 -4.557 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.904 9.900 -3.691 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.216 11.966 -4.110 1.00 0.00 C ATOM 0 HA VAL A 92 -15.734 10.783 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.943 9.947 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.158 10.016 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.796 8.841 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.965 10.414 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.415 11.995 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.314 12.538 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.059 12.400 -4.647 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.536 8.306 -6.535 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.228 6.986 -7.063 1.00 0.00 C ATOM 1475 C TYR A 93 -14.656 6.109 -5.941 1.00 0.00 C ATOM 1476 O TYR A 93 -14.459 6.556 -4.808 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.177 7.114 -8.189 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.416 8.189 -9.236 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.199 7.916 -10.376 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.821 9.457 -9.082 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.396 8.909 -11.354 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.023 10.456 -10.049 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.813 10.188 -11.190 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.001 11.152 -12.137 1.00 0.00 O ATOM 0 H TYR A 93 -14.715 8.756 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.137 6.533 -7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.207 7.300 -7.728 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.108 6.153 -8.699 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.649 6.942 -10.499 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.207 9.662 -8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.992 8.695 -12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.574 11.430 -9.920 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.533 11.970 -11.868 1.00 0.00 H new ATOM 1494 N THR A 94 -14.317 4.873 -6.298 1.00 0.00 N ATOM 1495 CA THR A 94 -13.560 3.958 -5.456 1.00 0.00 C ATOM 1496 C THR A 94 -12.369 3.494 -6.298 1.00 0.00 C ATOM 1497 O THR A 94 -12.520 3.217 -7.492 1.00 0.00 O ATOM 1498 CB THR A 94 -14.446 2.797 -4.959 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.720 3.263 -4.544 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.814 2.065 -3.772 1.00 0.00 C ATOM 0 H THR A 94 -14.568 4.473 -7.202 1.00 0.00 H new ATOM 0 HA THR A 94 -13.203 4.440 -4.546 1.00 0.00 H new ATOM 0 HB THR A 94 -14.547 2.115 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.261 2.506 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.470 1.255 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.849 1.655 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.673 2.763 -2.947 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.189 3.433 -5.682 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.941 3.028 -6.310 1.00 0.00 C ATOM 1510 C ALA A 95 -9.286 1.986 -5.413 1.00 0.00 C ATOM 1511 O ALA A 95 -9.524 1.972 -4.205 1.00 0.00 O ATOM 1512 CB ALA A 95 -9.023 4.246 -6.469 1.00 0.00 C ATOM 0 H ALA A 95 -11.076 3.674 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.125 2.609 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.089 3.939 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.515 4.993 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.812 4.673 -5.489 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.452 1.116 -5.982 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.625 0.239 -5.164 1.00 0.00 C ATOM 1520 C LYS A 96 -6.491 1.092 -4.612 1.00 0.00 C ATOM 1521 O LYS A 96 -5.885 1.870 -5.350 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.129 -1.011 -5.918 1.00 0.00 C ATOM 1523 CG LYS A 96 -6.639 -0.802 -7.361 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.744 -1.078 -8.397 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.338 -0.718 -9.834 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.134 -1.437 -10.309 1.00 0.00 N ATOM 0 H LYS A 96 -8.334 1.002 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.216 -0.178 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.315 -1.453 -5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.939 -1.740 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.282 0.221 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.791 -1.459 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.013 -2.133 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.635 -0.511 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.170 -0.938 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.157 0.355 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.908 -1.134 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.332 -1.222 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.315 -2.461 -10.300 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.166 0.907 -3.334 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.006 1.523 -2.688 1.00 0.00 C ATOM 1542 C LEU A 97 -3.722 1.203 -3.466 1.00 0.00 C ATOM 1543 O LEU A 97 -2.800 2.012 -3.507 1.00 0.00 O ATOM 1544 CB LEU A 97 -4.922 1.020 -1.234 1.00 0.00 C ATOM 1545 CG LEU A 97 -3.815 1.682 -0.387 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.048 3.189 -0.218 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -3.776 1.022 0.995 1.00 0.00 C ATOM 0 H LEU A 97 -6.710 0.315 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.118 2.607 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.883 1.190 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.757 -0.057 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.867 1.544 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.246 3.616 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.060 3.667 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.004 3.356 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.995 1.486 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.740 1.151 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.565 -0.042 0.884 1.00 0.00 H new ATOM 1559 N SER A 98 -3.698 0.048 -4.133 1.00 0.00 N ATOM 1560 CA SER A 98 -2.632 -0.421 -5.008 1.00 0.00 C ATOM 1561 C SER A 98 -2.294 0.540 -6.159 1.00 0.00 C ATOM 1562 O SER A 98 -1.179 0.496 -6.679 1.00 0.00 O ATOM 1563 CB SER A 98 -3.106 -1.759 -5.575 1.00 0.00 C ATOM 1564 OG SER A 98 -3.515 -2.600 -4.504 1.00 0.00 O ATOM 0 H SER A 98 -4.467 -0.620 -4.071 1.00 0.00 H new ATOM 0 HA SER A 98 -1.713 -0.501 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.934 -1.602 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.304 -2.233 -6.140 1.00 0.00 H new ATOM 0 HG SER A 98 -3.822 -3.459 -4.862 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.229 1.413 -6.545 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.082 2.345 -7.667 1.00 0.00 C ATOM 1572 C ASP A 99 -2.966 3.785 -7.150 1.00 0.00 C ATOM 1573 O ASP A 99 -2.975 4.725 -7.940 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.263 2.215 -8.653 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.215 1.003 -9.591 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.937 -0.134 -9.149 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.577 1.164 -10.778 1.00 0.00 O ATOM 0 H ASP A 99 -4.131 1.493 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.168 2.092 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.189 2.171 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.307 3.119 -9.260 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.855 3.992 -5.837 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.756 5.312 -5.221 1.00 0.00 C ATOM 1584 C ILE A 100 -1.344 5.493 -4.690 1.00 0.00 C ATOM 1585 O ILE A 100 -0.688 4.561 -4.219 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.855 5.481 -4.141 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.180 5.813 -4.856 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.556 6.502 -3.021 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.460 7.287 -5.145 1.00 0.00 C ATOM 0 H ILE A 100 -2.831 3.230 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.934 6.102 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.908 4.534 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.199 5.272 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.999 5.425 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.394 6.535 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.653 6.204 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.409 7.489 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.421 7.383 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.485 7.843 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.673 7.688 -5.784 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.915 6.746 -4.745 1.00 0.00 N ATOM 1602 CA GLU A 101 0.334 7.219 -4.179 1.00 0.00 C ATOM 1603 C GLU A 101 0.023 8.558 -3.512 1.00 0.00 C ATOM 1604 O GLU A 101 -0.388 9.503 -4.185 1.00 0.00 O ATOM 1605 CB GLU A 101 1.387 7.319 -5.294 1.00 0.00 C ATOM 1606 CG GLU A 101 2.777 7.655 -4.742 1.00 0.00 C ATOM 1607 CD GLU A 101 3.834 7.677 -5.858 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.137 6.606 -6.433 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.380 8.761 -6.165 1.00 0.00 O ATOM 0 H GLU A 101 -1.449 7.485 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 101 0.751 6.543 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.431 6.375 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.086 8.084 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.748 8.626 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.058 6.920 -3.987 1.00 0.00 H new ATOM 1616 N ALA A 102 0.135 8.629 -2.184 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.193 9.844 -1.449 1.00 0.00 C ATOM 1618 C ALA A 102 0.823 10.946 -1.751 1.00 0.00 C ATOM 1619 O ALA A 102 1.986 10.682 -2.065 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.223 9.571 0.054 1.00 0.00 C ATOM 0 H ALA A 102 0.451 7.856 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.181 10.175 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.470 10.490 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.976 8.813 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.755 9.215 0.379 1.00 0.00 H new ATOM 1626 N ILE A 103 0.374 12.187 -1.587 1.00 0.00 N ATOM 1627 CA ILE A 103 1.172 13.391 -1.781 1.00 0.00 C ATOM 1628 C ILE A 103 1.159 14.167 -0.461 1.00 0.00 C ATOM 1629 O ILE A 103 0.097 14.400 0.118 1.00 0.00 O ATOM 1630 CB ILE A 103 0.602 14.214 -2.963 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.671 13.444 -4.305 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.342 15.556 -3.118 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.201 14.073 -5.401 1.00 0.00 C ATOM 0 H ILE A 103 -0.586 12.387 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 103 2.204 13.154 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.445 14.398 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.706 13.410 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.355 12.413 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.919 16.110 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.232 16.140 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.400 15.369 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.111 13.489 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.242 14.082 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.130 15.095 -5.588 1.00 0.00 H new ATOM 1645 N ASP A 104 2.352 14.594 -0.028 1.00 0.00 N ATOM 1646 CA ASP A 104 2.587 15.461 1.133 1.00 0.00 C ATOM 1647 C ASP A 104 1.814 15.010 2.383 1.00 0.00 C ATOM 1648 O ASP A 104 1.192 15.810 3.086 1.00 0.00 O ATOM 1649 CB ASP A 104 2.343 16.928 0.746 1.00 0.00 C ATOM 1650 CG ASP A 104 2.757 17.913 1.856 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.857 17.763 2.436 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.013 18.887 2.115 1.00 0.00 O ATOM 0 H ASP A 104 3.218 14.333 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 104 3.633 15.371 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.899 17.157 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.287 17.068 0.517 1.00 0.00 H new ATOM 1657 N VAL A 105 1.811 13.696 2.631 1.00 0.00 N ATOM 1658 CA VAL A 105 1.051 13.077 3.715 1.00 0.00 C ATOM 1659 C VAL A 105 1.967 12.780 4.915 1.00 0.00 C ATOM 1660 O VAL A 105 3.187 12.962 4.837 1.00 0.00 O ATOM 1661 CB VAL A 105 0.285 11.858 3.152 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.123 10.575 3.036 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.013 11.616 3.922 1.00 0.00 C ATOM 0 H VAL A 105 2.344 13.027 2.076 1.00 0.00 H new ATOM 0 HA VAL A 105 0.296 13.756 4.112 1.00 0.00 H new ATOM 0 HB VAL A 105 0.037 12.123 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.506 9.772 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.969 10.752 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.490 10.290 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.529 10.752 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.784 11.428 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.653 12.495 3.842 1.00 0.00 H new ATOM 1673 N ASP A 106 1.381 12.347 6.037 1.00 0.00 N ATOM 1674 CA ASP A 106 2.130 11.975 7.235 1.00 0.00 C ATOM 1675 C ASP A 106 2.987 10.735 6.979 1.00 0.00 C ATOM 1676 O ASP A 106 2.726 9.939 6.075 1.00 0.00 O ATOM 1677 CB ASP A 106 1.191 11.694 8.414 1.00 0.00 C ATOM 1678 CG ASP A 106 1.935 11.673 9.757 1.00 0.00 C ATOM 1679 OD1 ASP A 106 2.170 12.757 10.337 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.310 10.573 10.216 1.00 0.00 O ATOM 0 H ASP A 106 0.371 12.246 6.136 1.00 0.00 H new ATOM 0 HA ASP A 106 2.774 12.819 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.411 12.455 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.695 10.736 8.261 1.00 0.00 H new ATOM 1685 N ASP A 107 3.977 10.541 7.838 1.00 0.00 N ATOM 1686 CA ASP A 107 4.885 9.403 7.787 1.00 0.00 C ATOM 1687 C ASP A 107 4.120 8.098 7.970 1.00 0.00 C ATOM 1688 O ASP A 107 4.401 7.136 7.262 1.00 0.00 O ATOM 1689 CB ASP A 107 5.958 9.542 8.870 1.00 0.00 C ATOM 1690 CG ASP A 107 6.891 8.320 8.887 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.731 8.185 7.969 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.831 7.524 9.851 1.00 0.00 O ATOM 0 H ASP A 107 4.176 11.183 8.605 1.00 0.00 H new ATOM 0 HA ASP A 107 5.366 9.385 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.541 10.446 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.483 9.654 9.845 1.00 0.00 H new ATOM 1697 N ASP A 108 3.126 8.061 8.865 1.00 0.00 N ATOM 1698 CA ASP A 108 2.399 6.827 9.154 1.00 0.00 C ATOM 1699 C ASP A 108 1.522 6.446 7.958 1.00 0.00 C ATOM 1700 O ASP A 108 1.536 5.297 7.518 1.00 0.00 O ATOM 1701 CB ASP A 108 1.568 6.973 10.442 1.00 0.00 C ATOM 1702 CG ASP A 108 1.552 5.711 11.325 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.556 4.965 11.369 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.565 5.516 12.069 1.00 0.00 O ATOM 0 H ASP A 108 2.810 8.871 9.398 1.00 0.00 H new ATOM 0 HA ASP A 108 3.115 6.022 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.963 7.806 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.543 7.229 10.174 1.00 0.00 H new ATOM 1709 N THR A 109 0.820 7.418 7.365 1.00 0.00 N ATOM 1710 CA THR A 109 0.023 7.204 6.163 1.00 0.00 C ATOM 1711 C THR A 109 0.917 6.700 5.028 1.00 0.00 C ATOM 1712 O THR A 109 0.603 5.688 4.397 1.00 0.00 O ATOM 1713 CB THR A 109 -0.725 8.508 5.813 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.393 8.977 6.974 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.796 8.317 4.740 1.00 0.00 C ATOM 0 H THR A 109 0.792 8.377 7.711 1.00 0.00 H new ATOM 0 HA THR A 109 -0.729 6.433 6.331 1.00 0.00 H new ATOM 0 HB THR A 109 0.025 9.206 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.871 9.807 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.285 9.271 4.540 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.333 7.947 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.536 7.596 5.089 1.00 0.00 H new ATOM 1723 N GLN A 110 2.060 7.352 4.799 1.00 0.00 N ATOM 1724 CA GLN A 110 2.961 6.964 3.730 1.00 0.00 C ATOM 1725 C GLN A 110 3.576 5.581 3.987 1.00 0.00 C ATOM 1726 O GLN A 110 3.794 4.834 3.032 1.00 0.00 O ATOM 1727 CB GLN A 110 4.012 8.067 3.546 1.00 0.00 C ATOM 1728 CG GLN A 110 4.907 7.866 2.320 1.00 0.00 C ATOM 1729 CD GLN A 110 4.139 7.708 1.007 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.801 8.682 0.342 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.850 6.479 0.605 1.00 0.00 N ATOM 0 H GLN A 110 2.377 8.153 5.346 1.00 0.00 H new ATOM 0 HA GLN A 110 2.408 6.862 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.506 9.029 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.637 8.113 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.583 8.717 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.525 6.982 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.137 5.678 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.341 6.334 -0.267 1.00 0.00 H new ATOM 1740 N GLU A 111 3.818 5.213 5.246 1.00 0.00 N ATOM 1741 CA GLU A 111 4.319 3.899 5.622 1.00 0.00 C ATOM 1742 C GLU A 111 3.297 2.813 5.325 1.00 0.00 C ATOM 1743 O GLU A 111 3.672 1.778 4.781 1.00 0.00 O ATOM 1744 CB GLU A 111 4.688 3.874 7.113 1.00 0.00 C ATOM 1745 CG GLU A 111 6.122 4.353 7.344 1.00 0.00 C ATOM 1746 CD GLU A 111 7.110 3.208 7.089 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.496 2.947 5.929 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.477 2.503 8.055 1.00 0.00 O ATOM 0 H GLU A 111 3.668 5.832 6.042 1.00 0.00 H new ATOM 0 HA GLU A 111 5.211 3.701 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.998 4.507 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.575 2.861 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.345 5.190 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.232 4.717 8.366 1.00 0.00 H new ATOM 1755 N ALA A 112 2.018 3.040 5.634 1.00 0.00 N ATOM 1756 CA ALA A 112 0.964 2.078 5.327 1.00 0.00 C ATOM 1757 C ALA A 112 0.908 1.814 3.821 1.00 0.00 C ATOM 1758 O ALA A 112 0.769 0.671 3.392 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.381 2.618 5.812 1.00 0.00 C ATOM 0 H ALA A 112 1.689 3.886 6.099 1.00 0.00 H new ATOM 0 HA ALA A 112 1.181 1.140 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.166 1.898 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.341 2.779 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.596 3.562 5.311 1.00 0.00 H new ATOM 1765 N ILE A 113 1.033 2.878 3.025 1.00 0.00 N ATOM 1766 CA ILE A 113 0.996 2.807 1.571 1.00 0.00 C ATOM 1767 C ILE A 113 2.218 2.031 1.068 1.00 0.00 C ATOM 1768 O ILE A 113 2.060 1.083 0.302 1.00 0.00 O ATOM 1769 CB ILE A 113 0.906 4.244 1.016 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.472 4.847 1.364 1.00 0.00 C ATOM 1771 CG2 ILE A 113 1.157 4.305 -0.501 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.464 6.373 1.346 1.00 0.00 C ATOM 0 H ILE A 113 1.164 3.824 3.382 1.00 0.00 H new ATOM 0 HA ILE A 113 0.120 2.264 1.215 1.00 0.00 H new ATOM 0 HB ILE A 113 1.694 4.832 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.214 4.482 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.778 4.500 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.082 5.338 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.154 3.922 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.413 3.698 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.457 6.745 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.257 6.742 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.186 6.724 0.352 1.00 0.00 H new ATOM 1784 N ALA A 114 3.426 2.398 1.505 1.00 0.00 N ATOM 1785 CA ALA A 114 4.652 1.731 1.081 1.00 0.00 C ATOM 1786 C ALA A 114 4.617 0.244 1.451 1.00 0.00 C ATOM 1787 O ALA A 114 4.955 -0.610 0.630 1.00 0.00 O ATOM 1788 CB ALA A 114 5.861 2.421 1.723 1.00 0.00 C ATOM 0 H ALA A 114 3.577 3.164 2.161 1.00 0.00 H new ATOM 0 HA ALA A 114 4.737 1.803 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.776 1.921 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.891 3.465 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.777 2.367 2.808 1.00 0.00 H new ATOM 1794 N ASP A 115 4.172 -0.062 2.671 1.00 0.00 N ATOM 1795 CA ASP A 115 4.091 -1.426 3.177 1.00 0.00 C ATOM 1796 C ASP A 115 3.068 -2.241 2.388 1.00 0.00 C ATOM 1797 O ASP A 115 3.345 -3.383 2.020 1.00 0.00 O ATOM 1798 CB ASP A 115 3.760 -1.412 4.672 1.00 0.00 C ATOM 1799 CG ASP A 115 3.957 -2.789 5.315 1.00 0.00 C ATOM 1800 OD1 ASP A 115 3.012 -3.608 5.317 1.00 0.00 O ATOM 1801 OD2 ASP A 115 5.053 -2.999 5.891 1.00 0.00 O ATOM 0 H ASP A 115 3.855 0.640 3.340 1.00 0.00 H new ATOM 0 HA ASP A 115 5.060 -1.907 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.393 -0.682 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.728 -1.090 4.812 1.00 0.00 H new ATOM 1806 N TRP A 116 1.924 -1.638 2.041 1.00 0.00 N ATOM 1807 CA TRP A 116 0.945 -2.269 1.170 1.00 0.00 C ATOM 1808 C TRP A 116 1.543 -2.542 -0.209 1.00 0.00 C ATOM 1809 O TRP A 116 1.332 -3.619 -0.763 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.313 -1.396 1.035 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.329 -1.983 0.102 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -1.697 -1.476 -1.098 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.008 -3.270 0.213 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.532 -2.365 -1.744 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -2.732 -3.502 -0.993 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.049 -4.285 1.194 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.432 -4.692 -1.225 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -2.767 -5.476 0.978 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.448 -5.685 -0.233 1.00 0.00 C ATOM 0 H TRP A 116 1.659 -0.705 2.358 1.00 0.00 H new ATOM 0 HA TRP A 116 0.661 -3.219 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.764 -1.262 2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.027 -0.407 0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.384 -0.520 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -2.948 -2.201 -2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.521 -4.145 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -3.954 -4.844 -2.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.795 -6.233 1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.983 -6.608 -0.400 1.00 0.00 H new ATOM 1830 N LEU A 117 2.295 -1.592 -0.772 1.00 0.00 N ATOM 1831 CA LEU A 117 2.807 -1.713 -2.129 1.00 0.00 C ATOM 1832 C LEU A 117 3.819 -2.852 -2.226 1.00 0.00 C ATOM 1833 O LEU A 117 3.761 -3.607 -3.197 1.00 0.00 O ATOM 1834 CB LEU A 117 3.402 -0.380 -2.611 1.00 0.00 C ATOM 1835 CG LEU A 117 2.326 0.668 -2.971 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.972 2.051 -3.095 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.596 0.330 -4.278 1.00 0.00 C ATOM 0 H LEU A 117 2.561 -0.727 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 117 1.975 -1.956 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.049 0.025 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.029 -0.563 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 117 1.588 0.663 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.209 2.787 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.436 2.322 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.731 2.029 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.850 1.097 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.315 0.291 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.104 -0.638 -4.180 1.00 0.00 H new ATOM 1849 N TYR A 118 4.704 -3.042 -1.237 1.00 0.00 N ATOM 1850 CA TYR A 118 5.584 -4.206 -1.278 1.00 0.00 C ATOM 1851 C TYR A 118 4.863 -5.493 -0.862 1.00 0.00 C ATOM 1852 O TYR A 118 5.195 -6.540 -1.409 1.00 0.00 O ATOM 1853 CB TYR A 118 6.951 -3.982 -0.611 1.00 0.00 C ATOM 1854 CG TYR A 118 7.026 -3.557 0.843 1.00 0.00 C ATOM 1855 CD1 TYR A 118 6.557 -4.400 1.868 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.687 -2.358 1.176 1.00 0.00 C ATOM 1857 CE1 TYR A 118 6.705 -4.025 3.213 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.864 -1.989 2.520 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.361 -2.816 3.546 1.00 0.00 C ATOM 1860 OH TYR A 118 7.458 -2.410 4.841 1.00 0.00 O ATOM 0 H TYR A 118 4.824 -2.429 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 118 5.847 -4.354 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 118 7.514 -4.910 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.477 -3.228 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.082 -5.338 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.061 -1.717 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.317 -4.661 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 118 8.384 -1.075 2.767 1.00 0.00 H new ATOM 0 HH TYR A 118 6.705 -2.770 5.354 1.00 0.00 H new ATOM 1870 N TRP A 119 3.836 -5.461 -0.001 1.00 0.00 N ATOM 1871 CA TRP A 119 3.019 -6.645 0.267 1.00 0.00 C ATOM 1872 C TRP A 119 2.338 -7.115 -1.026 1.00 0.00 C ATOM 1873 O TRP A 119 2.321 -8.308 -1.327 1.00 0.00 O ATOM 1874 CB TRP A 119 1.997 -6.341 1.374 1.00 0.00 C ATOM 1875 CG TRP A 119 0.974 -7.413 1.600 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.181 -7.528 0.913 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.002 -8.550 2.515 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -0.850 -8.676 1.291 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.164 -9.346 2.285 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.904 -8.999 3.504 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.401 -10.538 2.988 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 1.656 -10.177 4.234 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.511 -10.950 3.974 1.00 0.00 C ATOM 0 H TRP A 119 3.555 -4.629 0.518 1.00 0.00 H new ATOM 0 HA TRP A 119 3.656 -7.456 0.620 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.534 -6.169 2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.481 -5.413 1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.532 -6.824 0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -1.734 -8.988 0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.799 -8.429 3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.276 -11.133 2.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.351 -10.489 5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.333 -11.858 4.531 1.00 0.00 H new ATOM 1894 N LEU A 120 1.825 -6.179 -1.828 1.00 0.00 N ATOM 1895 CA LEU A 120 1.255 -6.457 -3.138 1.00 0.00 C ATOM 1896 C LEU A 120 2.312 -7.072 -4.056 1.00 0.00 C ATOM 1897 O LEU A 120 2.055 -8.105 -4.674 1.00 0.00 O ATOM 1898 CB LEU A 120 0.682 -5.155 -3.714 1.00 0.00 C ATOM 1899 CG LEU A 120 0.019 -5.313 -5.092 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.261 -6.153 -5.010 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.308 -3.916 -5.622 1.00 0.00 C ATOM 0 H LEU A 120 1.796 -5.191 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 120 0.447 -7.183 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.051 -4.753 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.484 -4.421 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 120 0.704 -5.833 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.701 -6.243 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.021 -7.145 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.972 -5.669 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.780 -4.000 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.988 -3.415 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.611 -3.336 -5.711 1.00 0.00 H new ATOM 1913 N ALA A 121 3.515 -6.485 -4.103 1.00 0.00 N ATOM 1914 CA ALA A 121 4.627 -7.011 -4.892 1.00 0.00 C ATOM 1915 C ALA A 121 5.055 -8.419 -4.444 1.00 0.00 C ATOM 1916 O ALA A 121 5.632 -9.163 -5.239 1.00 0.00 O ATOM 1917 CB ALA A 121 5.817 -6.048 -4.830 1.00 0.00 C ATOM 0 H ALA A 121 3.741 -5.631 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 121 4.280 -7.097 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.641 -6.449 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.521 -5.078 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.137 -5.931 -3.795 1.00 0.00 H new ATOM 1923 N ARG A 122 4.766 -8.808 -3.195 1.00 0.00 N ATOM 1924 CA ARG A 122 5.046 -10.146 -2.670 1.00 0.00 C ATOM 1925 C ARG A 122 4.203 -11.225 -3.356 1.00 0.00 C ATOM 1926 O ARG A 122 4.539 -12.404 -3.234 1.00 0.00 O ATOM 1927 CB ARG A 122 4.829 -10.163 -1.144 1.00 0.00 C ATOM 1928 CG ARG A 122 5.894 -11.004 -0.424 1.00 0.00 C ATOM 1929 CD ARG A 122 5.801 -10.826 1.096 1.00 0.00 C ATOM 1930 NE ARG A 122 4.719 -11.626 1.688 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.565 -11.820 3.005 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.327 -11.175 3.878 1.00 0.00 N ATOM 1933 NH2 ARG A 122 3.654 -12.678 3.453 1.00 0.00 N ATOM 0 H ARG A 122 4.325 -8.191 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 122 6.088 -10.380 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.853 -9.142 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.840 -10.563 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.765 -12.056 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.886 -10.712 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.750 -11.110 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.639 -9.773 1.327 1.00 0.00 H new ATOM 0 HE ARG A 122 4.044 -12.060 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.039 -10.523 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.201 -11.331 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.069 -13.191 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.540 -12.823 4.456 1.00 0.00 H new