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 Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 153:sc= -0.518 (180deg=-1.12) USER MOD Single : A 33 TYR OH : rot 9:sc= 1.25 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 69:sc= 1.25 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.317 (180deg=-0.533) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.03) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 2.47 (180deg=1.92) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.721) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -171:sc=-0.00262 (180deg=-0.281) USER MOD Single : A 74 CYS SG : rot 81:sc= 0.304 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 175:sc= -0.085 (180deg=-0.144) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 165:sc= 1.97 USER MOD Single : A 109 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 110 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.35) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.965 -7.433 13.048 1.00 0.00 N ATOM 281 CA ILE A 18 -2.838 -7.305 11.878 1.00 0.00 C ATOM 282 C ILE A 18 -3.669 -8.578 11.706 1.00 0.00 C ATOM 283 O ILE A 18 -4.875 -8.476 11.484 1.00 0.00 O ATOM 284 CB ILE A 18 -2.024 -6.934 10.609 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.030 -5.778 10.884 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.980 -6.553 9.466 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.293 -5.253 9.646 1.00 0.00 C ATOM 0 HA ILE A 18 -3.535 -6.482 12.037 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.441 -7.807 10.318 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.574 -4.952 11.343 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.293 -6.117 11.611 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.402 -6.294 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.632 -7.397 9.240 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.585 -5.698 9.767 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.380 -4.446 9.938 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.283 -6.061 9.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.017 -4.878 8.923 1.00 0.00 H new ATOM 299 N ILE A 19 -3.072 -9.768 11.857 1.00 0.00 N ATOM 300 CA ILE A 19 -3.728 -11.031 11.498 1.00 0.00 C ATOM 301 C ILE A 19 -3.606 -12.119 12.587 1.00 0.00 C ATOM 302 O ILE A 19 -3.675 -13.306 12.279 1.00 0.00 O ATOM 303 CB ILE A 19 -3.220 -11.485 10.118 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.688 -11.625 10.159 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.677 -10.535 8.987 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.212 -12.619 9.118 1.00 0.00 C ATOM 0 H ILE A 19 -2.129 -9.881 12.228 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.802 -10.857 11.431 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.659 -12.456 9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.224 -10.655 9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.374 -11.951 11.151 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.295 -10.896 8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.766 -10.506 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.293 -9.533 9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.126 -12.703 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.660 -13.593 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.507 -12.277 8.126 1.00 0.00 H new ATOM 318 N VAL A 20 -3.417 -11.739 13.853 1.00 0.00 N ATOM 319 CA VAL A 20 -3.084 -12.655 14.954 1.00 0.00 C ATOM 320 C VAL A 20 -3.998 -13.889 15.067 1.00 0.00 C ATOM 321 O VAL A 20 -3.504 -14.989 15.322 1.00 0.00 O ATOM 322 CB VAL A 20 -2.991 -11.853 16.273 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.357 -11.351 16.770 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.314 -12.667 17.381 1.00 0.00 C ATOM 0 H VAL A 20 -3.492 -10.766 14.151 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.111 -13.091 14.727 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.380 -10.981 16.040 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.225 -10.796 17.699 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.801 -10.699 16.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.015 -12.202 16.946 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.266 -12.071 18.293 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.889 -13.574 17.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.304 -12.936 17.070 1.00 0.00 H new ATOM 334 N ASP A 21 -5.309 -13.732 14.848 1.00 0.00 N ATOM 335 CA ASP A 21 -6.307 -14.808 14.972 1.00 0.00 C ATOM 336 C ASP A 21 -6.930 -15.145 13.599 1.00 0.00 C ATOM 337 O ASP A 21 -7.882 -15.940 13.467 1.00 0.00 O ATOM 338 CB ASP A 21 -7.369 -14.374 15.994 1.00 0.00 C ATOM 339 CG ASP A 21 -8.376 -15.492 16.317 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.957 -16.588 16.754 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.601 -15.261 16.199 1.00 0.00 O ATOM 0 H ASP A 21 -5.716 -12.838 14.574 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.828 -15.721 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.875 -14.059 16.913 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.906 -13.508 15.608 1.00 0.00 H new ATOM 346 N ALA A 22 -6.374 -14.502 12.565 1.00 0.00 N ATOM 347 CA ALA A 22 -6.895 -14.468 11.222 1.00 0.00 C ATOM 348 C ALA A 22 -6.076 -15.367 10.309 1.00 0.00 C ATOM 349 O ALA A 22 -4.863 -15.215 10.151 1.00 0.00 O ATOM 350 CB ALA A 22 -6.895 -13.037 10.693 1.00 0.00 C ATOM 0 H ALA A 22 -5.509 -13.971 12.662 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.921 -14.836 11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.291 -13.024 9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.518 -12.412 11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.876 -12.650 10.690 1.00 0.00 H new ATOM 356 N GLU A 23 -6.792 -16.258 9.646 1.00 0.00 N ATOM 357 CA GLU A 23 -6.279 -17.168 8.622 1.00 0.00 C ATOM 358 C GLU A 23 -7.333 -17.635 7.625 1.00 0.00 C ATOM 359 O GLU A 23 -6.997 -18.113 6.542 1.00 0.00 O ATOM 360 CB GLU A 23 -5.518 -18.326 9.259 1.00 0.00 C ATOM 361 CG GLU A 23 -6.281 -19.578 9.706 1.00 0.00 C ATOM 362 CD GLU A 23 -7.102 -19.396 10.990 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.736 -18.614 11.892 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.164 -20.037 11.138 1.00 0.00 O ATOM 0 H GLU A 23 -7.792 -16.377 9.810 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.575 -16.593 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.755 -18.645 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.996 -17.933 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.950 -19.887 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.568 -20.388 9.857 1.00 0.00 H new ATOM 371 N ASP A 24 -8.603 -17.497 7.990 1.00 0.00 N ATOM 372 CA ASP A 24 -9.712 -17.670 7.076 1.00 0.00 C ATOM 373 C ASP A 24 -9.654 -16.399 6.218 1.00 0.00 C ATOM 374 O ASP A 24 -9.378 -15.312 6.740 1.00 0.00 O ATOM 375 CB ASP A 24 -11.036 -17.813 7.843 1.00 0.00 C ATOM 376 CG ASP A 24 -11.061 -18.995 8.842 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.304 -20.139 8.395 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.872 -18.796 10.072 1.00 0.00 O ATOM 0 H ASP A 24 -8.888 -17.259 8.940 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.651 -18.575 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.231 -16.888 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.847 -17.939 7.126 1.00 0.00 H new ATOM 383 N LYS A 25 -9.884 -16.507 4.907 1.00 0.00 N ATOM 384 CA LYS A 25 -9.614 -15.392 3.985 1.00 0.00 C ATOM 385 C LYS A 25 -10.322 -14.091 4.362 1.00 0.00 C ATOM 386 O LYS A 25 -9.741 -13.013 4.221 1.00 0.00 O ATOM 387 CB LYS A 25 -9.840 -15.781 2.509 1.00 0.00 C ATOM 388 CG LYS A 25 -11.297 -15.817 2.003 1.00 0.00 C ATOM 389 CD LYS A 25 -12.178 -16.961 2.533 1.00 0.00 C ATOM 390 CE LYS A 25 -11.708 -18.330 2.011 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.615 -19.433 2.420 1.00 0.00 N ATOM 0 H LYS A 25 -10.253 -17.346 4.459 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.551 -15.180 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.284 -15.080 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.403 -16.766 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.772 -14.871 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.279 -15.876 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.158 -16.961 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.212 -16.793 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.645 -18.299 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.703 -18.532 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.257 -20.334 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.656 -19.482 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.568 -19.256 2.044 1.00 0.00 H new ATOM 405 N GLU A 26 -11.556 -14.189 4.862 1.00 0.00 N ATOM 406 CA GLU A 26 -12.352 -13.025 5.228 1.00 0.00 C ATOM 407 C GLU A 26 -11.712 -12.335 6.432 1.00 0.00 C ATOM 408 O GLU A 26 -11.668 -11.108 6.491 1.00 0.00 O ATOM 409 CB GLU A 26 -13.795 -13.443 5.557 1.00 0.00 C ATOM 410 CG GLU A 26 -14.513 -14.116 4.377 1.00 0.00 C ATOM 411 CD GLU A 26 -15.977 -14.447 4.722 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.246 -15.538 5.274 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.879 -13.630 4.429 1.00 0.00 O ATOM 0 H GLU A 26 -12.027 -15.079 5.023 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.382 -12.332 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.784 -14.127 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.360 -12.563 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.483 -13.458 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.987 -15.030 4.103 1.00 0.00 H new ATOM 420 N GLU A 27 -11.173 -13.110 7.377 1.00 0.00 N ATOM 421 CA GLU A 27 -10.554 -12.563 8.571 1.00 0.00 C ATOM 422 C GLU A 27 -9.277 -11.844 8.194 1.00 0.00 C ATOM 423 O GLU A 27 -9.054 -10.738 8.675 1.00 0.00 O ATOM 424 CB GLU A 27 -10.164 -13.656 9.559 1.00 0.00 C ATOM 425 CG GLU A 27 -11.308 -14.553 10.006 1.00 0.00 C ATOM 426 CD GLU A 27 -10.748 -15.676 10.878 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.654 -16.223 10.582 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.377 -16.023 11.904 1.00 0.00 O ATOM 0 H GLU A 27 -11.157 -14.129 7.330 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.282 -11.894 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.391 -14.276 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.722 -13.189 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.044 -13.974 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.821 -14.970 9.139 1.00 0.00 H new ATOM 435 N ARG A 28 -8.422 -12.454 7.358 1.00 0.00 N ATOM 436 CA ARG A 28 -7.180 -11.771 6.985 1.00 0.00 C ATOM 437 C ARG A 28 -7.489 -10.477 6.235 1.00 0.00 C ATOM 438 O ARG A 28 -6.854 -9.465 6.529 1.00 0.00 O ATOM 439 CB ARG A 28 -6.201 -12.680 6.226 1.00 0.00 C ATOM 440 CG ARG A 28 -5.582 -13.716 7.170 1.00 0.00 C ATOM 441 CD ARG A 28 -4.386 -14.458 6.557 1.00 0.00 C ATOM 442 NE ARG A 28 -3.609 -15.116 7.621 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.595 -15.975 7.480 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.106 -16.276 6.281 1.00 0.00 N ATOM 445 NH2 ARG A 28 -2.085 -16.536 8.571 1.00 0.00 N ATOM 0 H ARG A 28 -8.559 -13.377 6.945 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.660 -11.506 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.722 -13.186 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.414 -12.077 5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.261 -13.218 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.345 -14.442 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.736 -15.199 5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.753 -13.758 6.011 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.876 -14.889 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.505 -15.849 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.332 -16.934 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.468 -16.308 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.311 -17.195 8.491 1.00 0.00 H new ATOM 459 N ALA A 29 -8.482 -10.471 5.340 1.00 0.00 N ATOM 460 CA ALA A 29 -8.912 -9.251 4.670 1.00 0.00 C ATOM 461 C ALA A 29 -9.334 -8.185 5.686 1.00 0.00 C ATOM 462 O ALA A 29 -8.873 -7.048 5.600 1.00 0.00 O ATOM 463 CB ALA A 29 -10.040 -9.572 3.686 1.00 0.00 C ATOM 0 H ALA A 29 -9.002 -11.304 5.065 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.073 -8.840 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.359 -8.657 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.683 -10.285 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.883 -10.003 4.227 1.00 0.00 H new ATOM 469 N MET A 30 -10.181 -8.536 6.658 1.00 0.00 N ATOM 470 CA MET A 30 -10.668 -7.574 7.644 1.00 0.00 C ATOM 471 C MET A 30 -9.571 -7.123 8.611 1.00 0.00 C ATOM 472 O MET A 30 -9.531 -5.944 8.963 1.00 0.00 O ATOM 473 CB MET A 30 -11.882 -8.137 8.392 1.00 0.00 C ATOM 474 CG MET A 30 -13.115 -8.296 7.488 1.00 0.00 C ATOM 475 SD MET A 30 -13.706 -6.796 6.648 1.00 0.00 S ATOM 476 CE MET A 30 -12.827 -6.881 5.058 1.00 0.00 C ATOM 0 H MET A 30 -10.543 -9.482 6.781 1.00 0.00 H new ATOM 0 HA MET A 30 -10.983 -6.683 7.101 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.623 -9.106 8.820 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.129 -7.477 9.224 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.887 -9.044 6.729 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.931 -8.693 8.092 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.404 -6.359 4.295 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.848 -6.412 5.158 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.701 -7.924 4.767 1.00 0.00 H new ATOM 486 N GLY A 31 -8.659 -8.010 9.008 1.00 0.00 N ATOM 487 CA GLY A 31 -7.546 -7.675 9.879 1.00 0.00 C ATOM 488 C GLY A 31 -6.677 -6.606 9.227 1.00 0.00 C ATOM 489 O GLY A 31 -6.407 -5.570 9.842 1.00 0.00 O ATOM 0 H GLY A 31 -8.677 -8.991 8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.919 -7.317 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.951 -8.566 10.081 1.00 0.00 H new ATOM 493 N TRP A 32 -6.324 -6.814 7.952 1.00 0.00 N ATOM 494 CA TRP A 32 -5.641 -5.798 7.168 1.00 0.00 C ATOM 495 C TRP A 32 -6.478 -4.526 7.086 1.00 0.00 C ATOM 496 O TRP A 32 -5.953 -3.459 7.384 1.00 0.00 O ATOM 497 CB TRP A 32 -5.271 -6.327 5.778 1.00 0.00 C ATOM 498 CG TRP A 32 -3.958 -7.040 5.760 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.765 -8.369 5.888 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.624 -6.458 5.668 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.415 -8.649 5.872 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.659 -7.498 5.795 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.136 -5.146 5.507 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.280 -7.238 5.797 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.756 -4.875 5.481 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.172 -5.921 5.628 1.00 0.00 C ATOM 0 H TRP A 32 -6.504 -7.682 7.448 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.709 -5.546 7.673 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.052 -7.005 5.433 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.237 -5.495 5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.550 -9.104 5.988 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.024 -9.590 5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.837 -4.331 5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.427 -8.044 5.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.408 -3.861 5.348 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.231 -5.711 5.611 1.00 0.00 H new ATOM 517 N TYR A 33 -7.762 -4.627 6.729 1.00 0.00 N ATOM 518 CA TYR A 33 -8.616 -3.465 6.502 1.00 0.00 C ATOM 519 C TYR A 33 -8.660 -2.537 7.717 1.00 0.00 C ATOM 520 O TYR A 33 -8.378 -1.345 7.586 1.00 0.00 O ATOM 521 CB TYR A 33 -10.033 -3.913 6.111 1.00 0.00 C ATOM 522 CG TYR A 33 -11.009 -2.763 5.958 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.121 -2.088 4.731 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.764 -2.329 7.064 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.996 -0.997 4.602 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.606 -1.210 6.956 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.745 -0.550 5.715 1.00 0.00 C ATOM 528 OH TYR A 33 -13.600 0.501 5.596 1.00 0.00 O ATOM 0 H TYR A 33 -8.236 -5.519 6.590 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.183 -2.896 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.985 -4.466 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.410 -4.601 6.868 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.532 -2.409 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.695 -2.860 8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.097 -0.498 3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.147 -0.855 7.821 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.694 0.741 4.651 1.00 0.00 H new ATOM 538 N TYR A 34 -9.008 -3.055 8.899 1.00 0.00 N ATOM 539 CA TYR A 34 -9.234 -2.197 10.055 1.00 0.00 C ATOM 540 C TYR A 34 -7.916 -1.639 10.595 1.00 0.00 C ATOM 541 O TYR A 34 -7.890 -0.495 11.050 1.00 0.00 O ATOM 542 CB TYR A 34 -10.039 -2.934 11.132 1.00 0.00 C ATOM 543 CG TYR A 34 -11.497 -3.146 10.749 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.365 -2.040 10.657 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.983 -4.435 10.458 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.711 -2.218 10.287 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.323 -4.621 10.074 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.196 -3.512 9.989 1.00 0.00 C ATOM 549 OH TYR A 34 -15.496 -3.702 9.626 1.00 0.00 O ATOM 0 H TYR A 34 -9.137 -4.051 9.075 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.831 -1.342 9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.576 -3.902 11.324 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.993 -2.368 12.062 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.995 -1.049 10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.322 -5.286 10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.373 -1.367 10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.686 -5.612 9.844 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.653 -4.655 9.458 1.00 0.00 H new ATOM 559 N TYR A 35 -6.814 -2.391 10.507 1.00 0.00 N ATOM 560 CA TYR A 35 -5.501 -1.868 10.861 1.00 0.00 C ATOM 561 C TYR A 35 -5.073 -0.780 9.872 1.00 0.00 C ATOM 562 O TYR A 35 -4.512 0.233 10.293 1.00 0.00 O ATOM 563 CB TYR A 35 -4.492 -3.023 10.874 1.00 0.00 C ATOM 564 CG TYR A 35 -3.081 -2.608 11.238 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.687 -2.557 12.588 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.162 -2.274 10.224 1.00 0.00 C ATOM 567 CE1 TYR A 35 -1.378 -2.174 12.927 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.851 -1.889 10.555 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.452 -1.839 11.912 1.00 0.00 C ATOM 570 OH TYR A 35 0.817 -1.477 12.254 1.00 0.00 O ATOM 0 H TYR A 35 -6.810 -3.362 10.194 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.542 -1.416 11.852 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.831 -3.779 11.582 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.479 -3.491 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.392 -2.813 13.365 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.466 -2.314 9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.079 -2.135 13.964 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.150 -1.632 9.775 1.00 0.00 H new ATOM 0 HH TYR A 35 1.330 -1.279 11.443 1.00 0.00 H new ATOM 580 N LEU A 36 -5.349 -0.951 8.574 1.00 0.00 N ATOM 581 CA LEU A 36 -5.036 0.040 7.561 1.00 0.00 C ATOM 582 C LEU A 36 -5.811 1.304 7.837 1.00 0.00 C ATOM 583 O LEU A 36 -5.152 2.336 7.924 1.00 0.00 O ATOM 584 CB LEU A 36 -5.329 -0.469 6.142 1.00 0.00 C ATOM 585 CG LEU A 36 -4.065 -0.865 5.365 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.076 -1.745 6.140 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.509 -1.581 4.086 1.00 0.00 C ATOM 0 H LEU A 36 -5.798 -1.789 8.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.967 0.245 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.994 -1.330 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.860 0.305 5.588 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.516 0.054 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.217 -1.971 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.741 -1.216 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.566 -2.674 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.631 -1.876 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.086 -2.468 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.126 -0.910 3.489 1.00 0.00 H new ATOM 599 N ASP A 37 -7.137 1.244 8.051 1.00 0.00 N ATOM 600 CA ASP A 37 -7.863 2.451 8.450 1.00 0.00 C ATOM 601 C ASP A 37 -7.165 3.035 9.628 1.00 0.00 C ATOM 602 O ASP A 37 -6.863 4.230 9.590 1.00 0.00 O ATOM 603 CB ASP A 37 -9.332 2.267 8.890 1.00 0.00 C ATOM 604 CG ASP A 37 -9.996 3.537 9.539 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.433 4.270 10.408 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.175 3.780 9.200 1.00 0.00 O ATOM 0 H ASP A 37 -7.706 0.403 7.958 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.878 3.068 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.921 1.971 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.381 1.445 9.604 1.00 0.00 H new ATOM 611 N ASP A 38 -6.885 2.235 10.666 1.00 0.00 N ATOM 612 CA ASP A 38 -6.458 2.919 11.853 1.00 0.00 C ATOM 613 C ASP A 38 -5.136 3.656 11.680 1.00 0.00 C ATOM 614 O ASP A 38 -4.996 4.767 12.195 1.00 0.00 O ATOM 615 CB ASP A 38 -6.607 2.185 13.175 1.00 0.00 C ATOM 616 CG ASP A 38 -6.733 3.284 14.269 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.249 4.404 13.977 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.330 3.028 15.426 1.00 0.00 O ATOM 0 H ASP A 38 -6.942 1.217 10.699 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.221 3.689 11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.487 1.542 13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.746 1.544 13.364 1.00 0.00 H new ATOM 623 N THR A 39 -4.273 3.129 10.820 1.00 0.00 N ATOM 624 CA THR A 39 -2.949 3.666 10.594 1.00 0.00 C ATOM 625 C THR A 39 -3.040 4.911 9.697 1.00 0.00 C ATOM 626 O THR A 39 -2.403 5.928 9.971 1.00 0.00 O ATOM 627 CB THR A 39 -2.100 2.546 9.975 1.00 0.00 C ATOM 628 OG1 THR A 39 -2.128 1.380 10.774 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.650 2.989 9.862 1.00 0.00 C ATOM 0 H THR A 39 -4.482 2.306 10.255 1.00 0.00 H new ATOM 0 HA THR A 39 -2.478 3.991 11.522 1.00 0.00 H new ATOM 0 HB THR A 39 -2.519 2.331 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.024 0.984 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.058 2.187 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.588 3.875 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.263 3.224 10.854 1.00 0.00 H new ATOM 637 N LEU A 40 -3.847 4.843 8.636 1.00 0.00 N ATOM 638 CA LEU A 40 -4.161 5.972 7.774 1.00 0.00 C ATOM 639 C LEU A 40 -4.864 7.066 8.596 1.00 0.00 C ATOM 640 O LEU A 40 -5.719 6.788 9.452 1.00 0.00 O ATOM 641 CB LEU A 40 -5.079 5.525 6.620 1.00 0.00 C ATOM 642 CG LEU A 40 -4.537 4.408 5.698 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.690 3.761 4.921 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.501 4.887 4.684 1.00 0.00 C ATOM 0 H LEU A 40 -4.308 3.979 8.350 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.234 6.365 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.023 5.186 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.302 6.397 6.005 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.047 3.697 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.298 2.976 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.405 3.330 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.188 4.516 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.171 4.045 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.945 5.647 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.646 5.312 5.210 1.00 0.00 H new ATOM 656 N GLU A 41 -4.571 8.322 8.265 1.00 0.00 N ATOM 657 CA GLU A 41 -5.210 9.512 8.824 1.00 0.00 C ATOM 658 C GLU A 41 -5.735 10.372 7.663 1.00 0.00 C ATOM 659 O GLU A 41 -5.439 11.563 7.543 1.00 0.00 O ATOM 660 CB GLU A 41 -4.239 10.239 9.773 1.00 0.00 C ATOM 661 CG GLU A 41 -3.964 9.445 11.061 1.00 0.00 C ATOM 662 CD GLU A 41 -5.186 9.397 12.002 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.362 10.333 12.816 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.979 8.426 11.954 1.00 0.00 O ATOM 0 H GLU A 41 -3.855 8.547 7.574 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.070 9.254 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.298 10.420 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.652 11.214 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.671 8.428 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.122 9.895 11.588 1.00 0.00 H new ATOM 671 N PHE A 42 -6.488 9.724 6.766 1.00 0.00 N ATOM 672 CA PHE A 42 -7.224 10.364 5.677 1.00 0.00 C ATOM 673 C PHE A 42 -8.236 11.410 6.201 1.00 0.00 C ATOM 674 O PHE A 42 -8.607 11.345 7.380 1.00 0.00 O ATOM 675 CB PHE A 42 -7.885 9.265 4.820 1.00 0.00 C ATOM 676 CG PHE A 42 -8.705 8.221 5.558 1.00 0.00 C ATOM 677 CD1 PHE A 42 -9.953 8.559 6.117 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.271 6.880 5.588 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.751 7.570 6.716 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.066 5.893 6.197 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.308 6.237 6.756 1.00 0.00 C ATOM 0 H PHE A 42 -6.603 8.711 6.781 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.535 10.928 5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.531 9.748 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.101 8.751 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.298 9.582 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.325 6.610 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.706 7.834 7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.722 4.870 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.922 5.477 7.216 1.00 0.00 H new ATOM 691 N PRO A 43 -8.758 12.329 5.359 1.00 0.00 N ATOM 692 CA PRO A 43 -8.391 12.572 3.962 1.00 0.00 C ATOM 693 C PRO A 43 -6.914 12.922 3.750 1.00 0.00 C ATOM 694 O PRO A 43 -6.281 13.506 4.632 1.00 0.00 O ATOM 695 CB PRO A 43 -9.282 13.724 3.479 1.00 0.00 C ATOM 696 CG PRO A 43 -10.480 13.682 4.420 1.00 0.00 C ATOM 697 CD PRO A 43 -9.864 13.201 5.731 1.00 0.00 C ATOM 0 HA PRO A 43 -8.541 11.653 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.763 14.681 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.585 13.587 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.945 14.662 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.252 13.001 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.513 14.042 6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.598 12.665 6.333 1.00 0.00 H new ATOM 705 N PHE A 44 -6.375 12.584 2.576 1.00 0.00 N ATOM 706 CA PHE A 44 -5.028 12.962 2.149 1.00 0.00 C ATOM 707 C PHE A 44 -4.994 13.078 0.621 1.00 0.00 C ATOM 708 O PHE A 44 -5.913 12.621 -0.055 1.00 0.00 O ATOM 709 CB PHE A 44 -3.982 11.957 2.674 1.00 0.00 C ATOM 710 CG PHE A 44 -4.082 10.526 2.163 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.522 10.182 0.922 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.669 9.516 2.948 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.577 8.863 0.445 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.736 8.193 2.473 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.190 7.865 1.220 1.00 0.00 C ATOM 0 H PHE A 44 -6.875 12.028 1.882 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.771 13.933 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.991 12.337 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.050 11.934 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.042 10.944 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.071 9.758 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.149 8.616 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.208 7.428 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.242 6.850 0.855 1.00 0.00 H new ATOM 725 N MET A 45 -3.950 13.682 0.054 1.00 0.00 N ATOM 726 CA MET A 45 -3.783 13.805 -1.394 1.00 0.00 C ATOM 727 C MET A 45 -2.922 12.644 -1.895 1.00 0.00 C ATOM 728 O MET A 45 -1.934 12.294 -1.245 1.00 0.00 O ATOM 729 CB MET A 45 -3.097 15.149 -1.676 1.00 0.00 C ATOM 730 CG MET A 45 -2.907 15.417 -3.169 1.00 0.00 C ATOM 731 SD MET A 45 -1.899 16.881 -3.505 1.00 0.00 S ATOM 732 CE MET A 45 -1.814 16.708 -5.300 1.00 0.00 C ATOM 0 H MET A 45 -3.191 14.103 0.590 1.00 0.00 H new ATOM 0 HA MET A 45 -4.744 13.770 -1.908 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.690 15.953 -1.240 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.125 15.166 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.440 14.548 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.884 15.541 -3.637 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.061 17.389 -5.696 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.546 15.683 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.784 16.948 -5.735 1.00 0.00 H new ATOM 742 N GLY A 46 -3.225 12.074 -3.062 1.00 0.00 N ATOM 743 CA GLY A 46 -2.395 11.043 -3.658 1.00 0.00 C ATOM 744 C GLY A 46 -2.452 11.076 -5.175 1.00 0.00 C ATOM 745 O GLY A 46 -3.182 11.860 -5.781 1.00 0.00 O ATOM 0 H GLY A 46 -4.049 12.317 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.363 11.173 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.721 10.065 -3.304 1.00 0.00 H new ATOM 749 N LYS A 47 -1.654 10.217 -5.795 1.00 0.00 N ATOM 750 CA LYS A 47 -1.713 9.941 -7.219 1.00 0.00 C ATOM 751 C LYS A 47 -2.350 8.571 -7.388 1.00 0.00 C ATOM 752 O LYS A 47 -1.854 7.597 -6.817 1.00 0.00 O ATOM 753 CB LYS A 47 -0.292 9.929 -7.815 1.00 0.00 C ATOM 754 CG LYS A 47 -0.301 10.279 -9.311 1.00 0.00 C ATOM 755 CD LYS A 47 -0.234 11.797 -9.568 1.00 0.00 C ATOM 756 CE LYS A 47 1.138 12.414 -9.232 1.00 0.00 C ATOM 757 NZ LYS A 47 2.221 12.001 -10.164 1.00 0.00 N ATOM 0 H LYS A 47 -0.933 9.683 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.293 10.707 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.334 10.642 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.154 8.944 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.545 9.795 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.205 9.877 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.465 11.991 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.002 12.293 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.052 13.500 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.416 12.130 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.134 12.354 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.251 10.963 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.036 12.397 -11.108 1.00 0.00 H new ATOM 771 N TRP A 48 -3.452 8.483 -8.125 1.00 0.00 N ATOM 772 CA TRP A 48 -3.985 7.203 -8.551 1.00 0.00 C ATOM 773 C TRP A 48 -3.137 6.883 -9.778 1.00 0.00 C ATOM 774 O TRP A 48 -3.213 7.580 -10.792 1.00 0.00 O ATOM 775 CB TRP A 48 -5.491 7.280 -8.860 1.00 0.00 C ATOM 776 CG TRP A 48 -6.151 5.993 -9.275 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.544 4.791 -9.384 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.546 5.741 -9.642 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.433 3.832 -9.797 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.695 4.355 -9.965 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.708 6.540 -9.720 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -8.926 3.797 -10.343 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -9.950 5.991 -10.096 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.061 4.623 -10.404 1.00 0.00 C ATOM 0 H TRP A 48 -3.992 9.289 -8.439 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.926 6.427 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.003 7.658 -7.975 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.641 8.013 -9.653 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.500 4.610 -9.174 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.190 2.855 -9.959 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.643 7.593 -9.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.000 2.747 -10.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.823 6.625 -10.148 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.017 4.208 -10.687 1.00 0.00 H new ATOM 795 N LYS A 49 -2.263 5.885 -9.677 1.00 0.00 N ATOM 796 CA LYS A 49 -1.346 5.517 -10.754 1.00 0.00 C ATOM 797 C LYS A 49 -2.080 4.501 -11.629 1.00 0.00 C ATOM 798 O LYS A 49 -1.713 3.328 -11.675 1.00 0.00 O ATOM 799 CB LYS A 49 -0.030 4.995 -10.149 1.00 0.00 C ATOM 800 CG LYS A 49 0.686 6.079 -9.322 1.00 0.00 C ATOM 801 CD LYS A 49 2.010 5.573 -8.735 1.00 0.00 C ATOM 802 CE LYS A 49 3.239 5.867 -9.604 1.00 0.00 C ATOM 803 NZ LYS A 49 3.749 7.251 -9.428 1.00 0.00 N ATOM 0 H LYS A 49 -2.170 5.306 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.062 6.362 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.237 4.132 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.628 4.653 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.877 6.948 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.033 6.408 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.156 6.026 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.938 4.496 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.030 5.159 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.984 5.709 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.713 7.317 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.128 7.916 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.764 7.490 -8.416 1.00 0.00 H new ATOM 817 N LYS A 50 -3.176 4.937 -12.255 1.00 0.00 N ATOM 818 CA LYS A 50 -4.097 4.040 -12.941 1.00 0.00 C ATOM 819 C LYS A 50 -3.405 3.495 -14.184 1.00 0.00 C ATOM 820 O LYS A 50 -2.734 4.256 -14.876 1.00 0.00 O ATOM 821 CB LYS A 50 -5.386 4.809 -13.270 1.00 0.00 C ATOM 822 CG LYS A 50 -6.550 3.862 -13.592 1.00 0.00 C ATOM 823 CD LYS A 50 -7.845 4.646 -13.841 1.00 0.00 C ATOM 824 CE LYS A 50 -8.998 3.673 -14.121 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.280 4.376 -14.380 1.00 0.00 N ATOM 0 H LYS A 50 -3.446 5.920 -12.298 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.374 3.192 -12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.656 5.443 -12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.209 5.469 -14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.306 3.267 -14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.696 3.165 -12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.080 5.262 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.715 5.322 -14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.746 3.053 -14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.119 3.003 -13.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.028 3.677 -14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.536 4.948 -13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.175 4.996 -15.208 1.00 0.00 H new ATOM 976 N GLU A 59 -1.522 6.230 -16.366 1.00 0.00 N ATOM 977 CA GLU A 59 -2.192 7.514 -16.336 1.00 0.00 C ATOM 978 C GLU A 59 -2.133 7.937 -14.866 1.00 0.00 C ATOM 979 O GLU A 59 -2.922 7.481 -14.033 1.00 0.00 O ATOM 980 CB GLU A 59 -3.644 7.373 -16.835 1.00 0.00 C ATOM 981 CG GLU A 59 -3.754 7.217 -18.360 1.00 0.00 C ATOM 982 CD GLU A 59 -3.455 8.531 -19.105 1.00 0.00 C ATOM 983 OE1 GLU A 59 -4.390 9.336 -19.321 1.00 0.00 O ATOM 984 OE2 GLU A 59 -2.292 8.771 -19.501 1.00 0.00 O ATOM 0 HA GLU A 59 -1.727 8.255 -16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.103 6.509 -16.355 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.213 8.249 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.060 6.446 -18.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.757 6.877 -18.617 1.00 0.00 H new ATOM 991 N GLU A 60 -1.127 8.742 -14.523 1.00 0.00 N ATOM 992 CA GLU A 60 -0.992 9.311 -13.191 1.00 0.00 C ATOM 993 C GLU A 60 -2.057 10.394 -13.015 1.00 0.00 C ATOM 994 O GLU A 60 -1.918 11.515 -13.512 1.00 0.00 O ATOM 995 CB GLU A 60 0.429 9.845 -12.974 1.00 0.00 C ATOM 996 CG GLU A 60 1.409 8.687 -12.767 1.00 0.00 C ATOM 997 CD GLU A 60 2.731 9.168 -12.159 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.767 9.366 -10.921 1.00 0.00 O ATOM 999 OE2 GLU A 60 3.727 9.341 -12.896 1.00 0.00 O ATOM 0 H GLU A 60 -0.384 9.016 -15.166 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.150 8.545 -12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.736 10.440 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.448 10.505 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.958 7.940 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.603 8.199 -13.722 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.140 10.034 -12.330 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.267 10.917 -12.053 1.00 0.00 C ATOM 1008 C LYS A 61 -4.063 11.489 -10.657 1.00 0.00 C ATOM 1009 O LYS A 61 -3.908 10.727 -9.705 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.555 10.084 -12.146 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.819 10.882 -11.794 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.035 9.963 -11.602 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.507 9.246 -12.875 1.00 0.00 C ATOM 1014 NZ LYS A 61 -8.904 10.197 -13.946 1.00 0.00 N ATOM 0 H LYS A 61 -3.260 9.098 -11.944 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.340 11.740 -12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.652 9.689 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.475 9.228 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.647 11.453 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.028 11.601 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.791 9.214 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.861 10.554 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.709 8.601 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.352 8.601 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.516 9.711 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.420 10.996 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.054 10.550 -14.430 1.00 0.00 H new ATOM 1028 N THR A 62 -4.068 12.804 -10.503 1.00 0.00 N ATOM 1029 CA THR A 62 -3.958 13.428 -9.193 1.00 0.00 C ATOM 1030 C THR A 62 -5.330 13.367 -8.510 1.00 0.00 C ATOM 1031 O THR A 62 -6.337 13.758 -9.107 1.00 0.00 O ATOM 1032 CB THR A 62 -3.444 14.866 -9.366 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.469 14.933 -10.396 1.00 0.00 O ATOM 1034 CG2 THR A 62 -2.789 15.333 -8.070 1.00 0.00 C ATOM 0 H THR A 62 -4.148 13.465 -11.276 1.00 0.00 H new ATOM 0 HA THR A 62 -3.245 12.904 -8.556 1.00 0.00 H new ATOM 0 HB THR A 62 -4.293 15.499 -9.623 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.156 15.857 -10.491 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.425 16.353 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.520 15.304 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.954 14.676 -7.827 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.396 12.885 -7.267 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.649 12.622 -6.578 1.00 0.00 C ATOM 1044 C VAL A 63 -6.558 13.050 -5.116 1.00 0.00 C ATOM 1045 O VAL A 63 -5.485 13.114 -4.514 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.048 11.132 -6.671 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.273 10.664 -8.115 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.033 10.177 -6.029 1.00 0.00 C ATOM 0 H VAL A 63 -4.570 12.666 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.423 13.209 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.983 11.087 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.551 9.610 -8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.073 11.251 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.356 10.798 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.383 9.150 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.068 10.284 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.926 10.417 -4.971 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.716 13.323 -4.537 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.888 13.519 -3.112 1.00 0.00 C ATOM 1060 C GLU A 64 -8.525 12.216 -2.630 1.00 0.00 C ATOM 1061 O GLU A 64 -9.548 11.791 -3.166 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.744 14.767 -2.848 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.854 15.040 -1.341 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.534 16.391 -1.055 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.782 16.452 -0.982 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.822 17.405 -0.873 1.00 0.00 O ATOM 0 H GLU A 64 -8.585 13.416 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.960 13.709 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.303 15.629 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.739 14.628 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.422 14.239 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.859 15.032 -0.896 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.886 11.540 -1.683 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.336 10.289 -1.097 1.00 0.00 C ATOM 1075 C VAL A 65 -9.175 10.677 0.113 1.00 0.00 C ATOM 1076 O VAL A 65 -8.642 11.228 1.077 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.121 9.417 -0.703 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.596 8.087 -0.100 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.219 9.126 -1.916 1.00 0.00 C ATOM 0 H VAL A 65 -7.003 11.864 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.924 9.693 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.544 9.974 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.731 7.482 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.196 8.284 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.198 7.550 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.375 8.511 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.792 8.596 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.850 10.065 -2.329 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.486 10.438 0.055 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.391 10.806 1.138 1.00 0.00 C ATOM 1091 C LEU A 66 -11.226 9.839 2.309 1.00 0.00 C ATOM 1092 O LEU A 66 -11.274 10.264 3.463 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.861 10.812 0.673 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.267 11.853 -0.392 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.710 13.252 -0.102 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.874 11.435 -1.813 1.00 0.00 C ATOM 0 H LEU A 66 -10.944 9.988 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.133 11.816 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.094 9.822 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.491 10.964 1.550 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.355 11.896 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.029 13.940 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.084 13.600 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.621 13.212 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.185 12.206 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.793 11.307 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.364 10.494 -2.064 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.018 8.552 2.026 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.823 7.519 3.016 1.00 0.00 C ATOM 1110 C GLY A 67 -10.989 6.161 2.363 1.00 0.00 C ATOM 1111 O GLY A 67 -11.208 6.066 1.155 1.00 0.00 O ATOM 0 H GLY A 67 -10.981 8.200 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.830 7.604 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.542 7.636 3.827 1.00 0.00 H new ATOM 1115 N MET A 68 -10.863 5.104 3.155 1.00 0.00 N ATOM 1116 CA MET A 68 -11.115 3.745 2.685 1.00 0.00 C ATOM 1117 C MET A 68 -12.583 3.585 2.281 1.00 0.00 C ATOM 1118 O MET A 68 -13.476 4.217 2.854 1.00 0.00 O ATOM 1119 CB MET A 68 -10.700 2.700 3.726 1.00 0.00 C ATOM 1120 CG MET A 68 -9.176 2.679 3.895 1.00 0.00 C ATOM 1121 SD MET A 68 -8.569 1.376 4.994 1.00 0.00 S ATOM 1122 CE MET A 68 -8.523 -0.025 3.847 1.00 0.00 C ATOM 0 H MET A 68 -10.585 5.162 4.135 1.00 0.00 H new ATOM 0 HA MET A 68 -10.498 3.572 1.803 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.174 2.923 4.682 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.051 1.715 3.419 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.715 2.556 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.851 3.645 4.281 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.324 -0.942 4.401 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.483 -0.110 3.338 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.735 0.133 3.111 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.815 2.720 1.293 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.144 2.267 0.905 1.00 0.00 C ATOM 1134 C ALA A 69 -14.759 1.444 2.056 1.00 0.00 C ATOM 1135 O ALA A 69 -14.031 1.073 2.985 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.008 1.431 -0.373 1.00 0.00 C ATOM 0 H ALA A 69 -12.069 2.309 0.732 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.806 3.110 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.992 1.080 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.574 2.043 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.361 0.575 -0.181 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.068 1.130 2.021 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.683 0.220 2.978 1.00 0.00 C ATOM 1144 C PRO A 70 -15.921 -1.104 3.091 1.00 0.00 C ATOM 1145 O PRO A 70 -15.395 -1.625 2.103 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.117 -0.001 2.485 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.418 1.275 1.703 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.066 1.619 1.080 1.00 0.00 C ATOM 0 HA PRO A 70 -16.665 0.646 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.194 -0.887 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.811 -0.138 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.183 1.113 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.778 2.072 2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.951 1.145 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.967 2.694 0.926 1.00 0.00 H new ATOM 1156 N ASP A 71 -15.928 -1.687 4.290 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.309 -2.983 4.557 1.00 0.00 C ATOM 1158 C ASP A 71 -15.891 -4.075 3.655 1.00 0.00 C ATOM 1159 O ASP A 71 -15.163 -4.975 3.242 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.459 -3.373 6.035 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.872 -3.877 6.384 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.785 -3.035 6.544 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.083 -5.104 6.512 1.00 0.00 O ATOM 0 H ASP A 71 -16.368 -1.268 5.110 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.247 -2.889 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.733 -4.149 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.223 -2.511 6.658 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.171 -3.961 3.282 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.857 -4.926 2.425 1.00 0.00 C ATOM 1170 C ASP A 72 -17.279 -4.964 1.004 1.00 0.00 C ATOM 1171 O ASP A 72 -17.346 -5.995 0.335 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.353 -4.599 2.372 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.126 -5.634 1.536 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.246 -6.801 1.972 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.668 -5.275 0.467 1.00 0.00 O ATOM 0 H ASP A 72 -17.765 -3.184 3.573 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.705 -5.914 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.757 -4.572 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.495 -3.606 1.946 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.681 -3.860 0.545 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.982 -3.812 -0.737 1.00 0.00 C ATOM 1182 C GLU A 73 -14.579 -4.414 -0.599 1.00 0.00 C ATOM 1183 O GLU A 73 -14.055 -5.001 -1.546 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.845 -2.355 -1.222 1.00 0.00 C ATOM 1185 CG GLU A 73 -17.179 -1.635 -1.475 1.00 0.00 C ATOM 1186 CD GLU A 73 -18.016 -2.299 -2.584 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.570 -2.340 -3.753 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -19.148 -2.757 -2.310 1.00 0.00 O ATOM 0 H GLU A 73 -16.670 -2.976 1.054 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.563 -4.386 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.278 -1.791 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.262 -2.346 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.757 -1.617 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.981 -0.598 -1.747 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.976 -4.309 0.588 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.573 -4.619 0.826 1.00 0.00 C ATOM 1197 C CYS A 74 -12.339 -6.069 1.274 1.00 0.00 C ATOM 1198 O CYS A 74 -11.436 -6.343 2.066 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.996 -3.597 1.810 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.196 -1.907 1.166 1.00 0.00 S ATOM 0 H CYS A 74 -14.466 -3.998 1.427 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.039 -4.540 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.498 -3.687 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.940 -3.804 1.981 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.409 -1.497 1.392 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.161 -7.011 0.800 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.070 -8.420 1.188 1.00 0.00 C ATOM 1208 C LEU A 75 -11.918 -9.161 0.498 1.00 0.00 C ATOM 1209 O LEU A 75 -11.559 -10.255 0.933 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.401 -9.139 0.880 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.225 -9.530 2.117 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -14.476 -10.487 3.056 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -15.723 -8.307 2.893 1.00 0.00 C ATOM 0 H LEU A 75 -13.909 -6.816 0.135 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.867 -8.436 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.008 -8.493 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.186 -10.040 0.305 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.092 -10.063 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.108 -10.727 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.228 -11.403 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.559 -10.011 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.300 -8.635 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.870 -7.717 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.354 -7.698 2.246 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.372 -8.607 -0.590 1.00 0.00 N ATOM 1226 CA LYS A 76 -10.414 -9.301 -1.466 1.00 0.00 C ATOM 1227 C LYS A 76 -9.218 -8.439 -1.879 1.00 0.00 C ATOM 1228 O LYS A 76 -8.224 -8.973 -2.370 1.00 0.00 O ATOM 1229 CB LYS A 76 -11.130 -9.828 -2.725 1.00 0.00 C ATOM 1230 CG LYS A 76 -12.226 -10.862 -2.421 1.00 0.00 C ATOM 1231 CD LYS A 76 -12.817 -11.439 -3.714 1.00 0.00 C ATOM 1232 CE LYS A 76 -13.911 -12.464 -3.382 1.00 0.00 C ATOM 1233 NZ LYS A 76 -14.513 -13.058 -4.602 1.00 0.00 N ATOM 0 H LYS A 76 -11.583 -7.656 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.015 -10.128 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.573 -8.988 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.393 -10.277 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.811 -11.668 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.017 -10.396 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.233 -10.636 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.031 -11.912 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.488 -13.257 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.691 -11.982 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.246 -13.744 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.940 -12.306 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.775 -13.541 -5.153 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.305 -7.125 -1.701 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.315 -6.116 -2.076 1.00 0.00 C ATOM 1249 C ASP A 77 -8.715 -4.860 -1.297 1.00 0.00 C ATOM 1250 O ASP A 77 -9.851 -4.785 -0.818 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.367 -5.885 -3.596 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.381 -4.833 -4.137 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.389 -4.493 -3.457 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.577 -4.395 -5.293 1.00 0.00 O ATOM 0 H ASP A 77 -10.124 -6.706 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.292 -6.411 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.172 -6.833 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.379 -5.583 -3.866 1.00 0.00 H new ATOM 1259 N MET A 78 -7.816 -3.899 -1.114 1.00 0.00 N ATOM 1260 CA MET A 78 -8.087 -2.695 -0.333 1.00 0.00 C ATOM 1261 C MET A 78 -8.488 -1.576 -1.292 1.00 0.00 C ATOM 1262 O MET A 78 -7.839 -1.382 -2.324 1.00 0.00 O ATOM 1263 CB MET A 78 -6.844 -2.312 0.483 1.00 0.00 C ATOM 1264 CG MET A 78 -6.486 -3.337 1.568 1.00 0.00 C ATOM 1265 SD MET A 78 -7.677 -3.517 2.929 1.00 0.00 S ATOM 1266 CE MET A 78 -8.454 -5.090 2.470 1.00 0.00 C ATOM 0 H MET A 78 -6.874 -3.932 -1.505 1.00 0.00 H new ATOM 0 HA MET A 78 -8.902 -2.870 0.369 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.996 -2.198 -0.193 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.011 -1.342 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.361 -4.310 1.092 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.520 -3.063 1.992 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.151 -5.393 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.992 -4.969 1.530 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.686 -5.855 2.352 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.518 -0.800 -0.944 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.087 0.232 -1.812 1.00 0.00 C ATOM 1278 C TYR A 79 -10.312 1.525 -1.032 1.00 0.00 C ATOM 1279 O TYR A 79 -10.416 1.514 0.197 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.412 -0.244 -2.430 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.348 -1.497 -3.282 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.137 -1.409 -4.672 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.570 -2.752 -2.689 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.156 -2.573 -5.464 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.585 -3.918 -3.470 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.381 -3.835 -4.866 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.410 -4.960 -5.637 1.00 0.00 O ATOM 0 H TYR A 79 -9.985 -0.872 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.377 0.424 -2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.123 -0.416 -1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.814 0.564 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.960 -0.447 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.730 -2.820 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.998 -2.502 -6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.752 -4.878 -3.004 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.574 -5.742 -5.069 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.406 2.638 -1.756 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.506 3.982 -1.214 1.00 0.00 C ATOM 1299 C VAL A 80 -11.475 4.796 -2.063 1.00 0.00 C ATOM 1300 O VAL A 80 -11.526 4.636 -3.282 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.120 4.663 -1.164 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.249 4.137 -0.019 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.318 4.548 -2.471 1.00 0.00 C ATOM 0 H VAL A 80 -10.415 2.623 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.882 3.925 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.356 5.714 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.287 4.649 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.748 4.322 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.092 3.066 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.358 5.051 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.151 3.496 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.876 5.015 -3.283 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.245 5.662 -1.414 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.056 6.665 -2.079 1.00 0.00 C ATOM 1315 C GLU A 81 -12.092 7.781 -2.482 1.00 0.00 C ATOM 1316 O GLU A 81 -11.249 8.202 -1.682 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.148 7.192 -1.138 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.194 6.116 -0.816 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.365 6.695 -0.003 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.251 6.827 1.237 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.424 7.008 -0.594 1.00 0.00 O ATOM 0 H GLU A 81 -12.322 5.684 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.570 6.254 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.691 7.543 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.639 8.050 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.571 5.685 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.725 5.307 -0.256 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.211 8.264 -3.714 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.240 9.161 -4.315 1.00 0.00 C ATOM 1330 C VAL A 82 -11.990 10.198 -5.149 1.00 0.00 C ATOM 1331 O VAL A 82 -13.009 9.877 -5.755 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.227 8.283 -5.102 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -10.066 8.620 -6.590 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -8.868 8.307 -4.403 1.00 0.00 C ATOM 0 H VAL A 82 -12.994 8.039 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.662 9.734 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.656 7.281 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.336 7.946 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.025 8.505 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.722 9.649 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.162 7.690 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.499 9.332 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.973 7.916 -3.391 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.483 11.427 -5.216 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.034 12.499 -6.031 1.00 0.00 C ATOM 1346 C ALA A 83 -10.920 12.967 -6.955 1.00 0.00 C ATOM 1347 O ALA A 83 -9.787 13.161 -6.516 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.544 13.638 -5.145 1.00 0.00 C ATOM 0 H ALA A 83 -10.656 11.709 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.887 12.153 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.953 14.431 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.323 13.262 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.720 14.033 -4.550 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.229 13.097 -8.241 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.249 13.436 -9.266 1.00 0.00 C ATOM 1356 C ASP A 84 -10.029 14.945 -9.250 1.00 0.00 C ATOM 1357 O ASP A 84 -10.922 15.715 -9.618 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.748 12.940 -10.631 1.00 0.00 C ATOM 1359 CG ASP A 84 -9.732 13.129 -11.770 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.712 13.826 -11.587 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -9.957 12.528 -12.846 1.00 0.00 O ATOM 0 H ASP A 84 -12.174 12.969 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.293 12.950 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.999 11.882 -10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.667 13.468 -10.885 1.00 0.00 H new ATOM 1366 N ILE A 85 -8.850 15.381 -8.801 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.515 16.799 -8.696 1.00 0.00 C ATOM 1368 C ILE A 85 -8.402 17.404 -10.113 1.00 0.00 C ATOM 1369 O ILE A 85 -8.652 18.597 -10.295 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.253 16.997 -7.815 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.414 16.331 -6.423 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -6.957 18.488 -7.580 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.165 16.399 -5.530 1.00 0.00 C ATOM 0 H ILE A 85 -8.101 14.758 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.309 17.345 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.433 16.530 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.244 16.808 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.686 15.285 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.067 18.589 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.789 18.981 -8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.805 18.952 -7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.371 15.909 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.335 15.895 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.902 17.442 -5.351 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.965 11.940 -7.218 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.217 11.004 -6.388 1.00 0.00 C ATOM 1459 C VAL A 92 -16.372 9.601 -6.990 1.00 0.00 C ATOM 1460 O VAL A 92 -17.385 9.272 -7.615 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.697 11.089 -4.917 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.790 10.309 -3.952 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.774 12.538 -4.396 1.00 0.00 C ATOM 0 HA VAL A 92 -15.156 11.253 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.693 10.647 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.173 10.403 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.774 9.257 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.778 10.713 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.116 12.535 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.787 12.997 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.474 13.108 -5.007 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.340 8.791 -6.788 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.107 7.497 -7.402 1.00 0.00 C ATOM 1475 C TYR A 93 -14.529 6.552 -6.340 1.00 0.00 C ATOM 1476 O TYR A 93 -14.338 6.939 -5.183 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.110 7.676 -8.568 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.404 8.824 -9.523 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.241 8.624 -10.637 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.845 10.097 -9.288 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.516 9.686 -11.517 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.127 11.167 -10.155 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.960 10.965 -11.279 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.207 12.005 -12.124 1.00 0.00 O ATOM 0 H TYR A 93 -14.591 9.043 -6.143 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.034 7.075 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.114 7.823 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.082 6.750 -9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.674 7.651 -10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.197 10.251 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.152 9.525 -12.375 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.707 12.143 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.743 12.806 -11.801 1.00 0.00 H new ATOM 1494 N THR A 94 -14.184 5.336 -6.757 1.00 0.00 N ATOM 1495 CA THR A 94 -13.452 4.380 -5.935 1.00 0.00 C ATOM 1496 C THR A 94 -12.204 3.962 -6.715 1.00 0.00 C ATOM 1497 O THR A 94 -12.265 3.758 -7.931 1.00 0.00 O ATOM 1498 CB THR A 94 -14.349 3.186 -5.547 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.654 3.615 -5.190 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.782 2.406 -4.357 1.00 0.00 C ATOM 0 H THR A 94 -14.409 4.984 -7.688 1.00 0.00 H new ATOM 0 HA THR A 94 -13.145 4.829 -4.991 1.00 0.00 H new ATOM 0 HB THR A 94 -14.385 2.544 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.200 2.837 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.445 1.574 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.794 2.021 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.703 3.067 -3.494 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.084 3.838 -6.006 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.802 3.383 -6.519 1.00 0.00 C ATOM 1510 C ALA A 95 -9.298 2.278 -5.593 1.00 0.00 C ATOM 1511 O ALA A 95 -9.803 2.112 -4.480 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.824 4.564 -6.573 1.00 0.00 C ATOM 0 H ALA A 95 -11.048 4.064 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.896 2.990 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.863 4.223 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.224 5.338 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.690 4.972 -5.571 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.296 1.517 -6.030 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.668 0.523 -5.175 1.00 0.00 C ATOM 1520 C LYS A 96 -6.580 1.246 -4.398 1.00 0.00 C ATOM 1521 O LYS A 96 -5.819 2.012 -4.992 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.077 -0.653 -5.979 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.979 -1.198 -7.103 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.679 -0.564 -8.475 1.00 0.00 C ATOM 1525 CE LYS A 96 -8.741 -0.918 -9.527 1.00 0.00 C ATOM 1526 NZ LYS A 96 -8.742 -2.357 -9.899 1.00 0.00 N ATOM 0 H LYS A 96 -7.905 1.573 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.410 0.082 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.131 -0.334 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.851 -1.466 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.852 -2.278 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.022 -1.016 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.624 0.519 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.702 -0.900 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.725 -0.648 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.571 -0.319 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.480 -2.531 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.814 -2.615 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.933 -2.934 -9.055 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.445 0.969 -3.101 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.286 1.434 -2.331 1.00 0.00 C ATOM 1542 C LEU A 97 -4.016 0.858 -2.981 1.00 0.00 C ATOM 1543 O LEU A 97 -2.970 1.499 -3.024 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.404 0.962 -0.870 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.344 1.572 0.073 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.604 3.065 0.307 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.372 0.846 1.422 1.00 0.00 C ATOM 0 H LEU A 97 -7.120 0.427 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.241 2.523 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.396 1.214 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.319 -0.124 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.368 1.455 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.842 3.467 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.568 3.594 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.587 3.197 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.623 1.280 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.359 0.952 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.154 -0.211 1.271 1.00 0.00 H new ATOM 1559 N SER A 98 -4.164 -0.335 -3.559 1.00 0.00 N ATOM 1560 CA SER A 98 -3.184 -1.087 -4.325 1.00 0.00 C ATOM 1561 C SER A 98 -2.717 -0.381 -5.609 1.00 0.00 C ATOM 1562 O SER A 98 -1.779 -0.857 -6.249 1.00 0.00 O ATOM 1563 CB SER A 98 -3.856 -2.430 -4.641 1.00 0.00 C ATOM 1564 OG SER A 98 -4.281 -2.996 -3.416 1.00 0.00 O ATOM 0 H SER A 98 -5.049 -0.837 -3.494 1.00 0.00 H new ATOM 0 HA SER A 98 -2.269 -1.202 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.704 -2.285 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.159 -3.096 -5.149 1.00 0.00 H new ATOM 0 HG SER A 98 -4.912 -3.725 -3.594 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.339 0.741 -5.993 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.048 1.480 -7.223 1.00 0.00 C ATOM 1572 C ASP A 99 -2.782 2.960 -6.915 1.00 0.00 C ATOM 1573 O ASP A 99 -2.722 3.790 -7.820 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.244 1.318 -8.176 1.00 0.00 C ATOM 1575 CG ASP A 99 -3.887 1.291 -9.666 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -2.821 0.754 -10.043 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.765 1.687 -10.464 1.00 0.00 O ATOM 0 H ASP A 99 -4.080 1.170 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.149 1.084 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.766 0.394 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.943 2.136 -8.000 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.643 3.301 -5.630 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.494 4.658 -5.121 1.00 0.00 C ATOM 1584 C ILE A 100 -1.087 4.813 -4.557 1.00 0.00 C ATOM 1585 O ILE A 100 -0.501 3.887 -3.991 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.609 4.934 -4.073 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -4.892 5.372 -4.806 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.256 5.915 -2.934 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.044 6.869 -5.076 1.00 0.00 C ATOM 0 H ILE A 100 -2.631 2.603 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.612 5.400 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.753 3.989 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.936 4.847 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.750 5.042 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.113 6.025 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.407 5.528 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.998 6.886 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.985 7.051 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.041 7.411 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.215 7.213 -5.694 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.590 6.036 -4.678 1.00 0.00 N ATOM 1602 CA GLU A 101 0.632 6.509 -4.047 1.00 0.00 C ATOM 1603 C GLU A 101 0.297 7.834 -3.362 1.00 0.00 C ATOM 1604 O GLU A 101 0.006 8.822 -4.036 1.00 0.00 O ATOM 1605 CB GLU A 101 1.724 6.636 -5.119 1.00 0.00 C ATOM 1606 CG GLU A 101 3.041 7.210 -4.580 1.00 0.00 C ATOM 1607 CD GLU A 101 4.164 7.134 -5.629 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.041 7.754 -6.711 1.00 0.00 O ATOM 1609 OE2 GLU A 101 5.189 6.459 -5.376 1.00 0.00 O ATOM 0 H GLU A 101 -1.046 6.754 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 101 1.016 5.821 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.914 5.654 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.360 7.274 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.891 8.248 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.339 6.661 -3.687 1.00 0.00 H new ATOM 1616 N ALA A 102 0.277 7.860 -2.026 1.00 0.00 N ATOM 1617 CA ALA A 102 0.008 9.088 -1.284 1.00 0.00 C ATOM 1618 C ALA A 102 1.127 10.104 -1.526 1.00 0.00 C ATOM 1619 O ALA A 102 2.291 9.733 -1.709 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.120 8.798 0.212 1.00 0.00 C ATOM 0 H ALA A 102 0.444 7.043 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.935 9.504 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.320 9.726 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.940 8.099 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.809 8.361 0.579 1.00 0.00 H new ATOM 1626 N ILE A 103 0.774 11.386 -1.468 1.00 0.00 N ATOM 1627 CA ILE A 103 1.677 12.502 -1.721 1.00 0.00 C ATOM 1628 C ILE A 103 1.762 13.324 -0.435 1.00 0.00 C ATOM 1629 O ILE A 103 0.737 13.712 0.128 1.00 0.00 O ATOM 1630 CB ILE A 103 1.166 13.342 -2.919 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.114 12.526 -4.233 1.00 0.00 C ATOM 1632 CG2 ILE A 103 2.047 14.587 -3.133 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.275 13.208 -5.323 1.00 0.00 C ATOM 0 H ILE A 103 -0.174 11.683 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 103 2.673 12.152 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 103 0.150 13.647 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.128 12.375 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.700 11.539 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.668 15.160 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.025 15.207 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.072 14.277 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.274 12.591 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.748 13.334 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.702 14.184 -5.554 1.00 0.00 H new ATOM 1645 N ASP A 104 3.000 13.618 -0.020 1.00 0.00 N ATOM 1646 CA ASP A 104 3.344 14.496 1.104 1.00 0.00 C ATOM 1647 C ASP A 104 2.520 14.197 2.368 1.00 0.00 C ATOM 1648 O ASP A 104 2.043 15.101 3.059 1.00 0.00 O ATOM 1649 CB ASP A 104 3.281 15.965 0.654 1.00 0.00 C ATOM 1650 CG ASP A 104 3.828 16.937 1.717 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.910 16.679 2.293 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.212 18.005 1.941 1.00 0.00 O ATOM 0 H ASP A 104 3.826 13.233 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 104 4.371 14.290 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.851 16.083 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.248 16.227 0.426 1.00 0.00 H new ATOM 1657 N VAL A 105 2.297 12.907 2.640 1.00 0.00 N ATOM 1658 CA VAL A 105 1.448 12.453 3.740 1.00 0.00 C ATOM 1659 C VAL A 105 2.300 12.157 4.985 1.00 0.00 C ATOM 1660 O VAL A 105 3.534 12.172 4.923 1.00 0.00 O ATOM 1661 CB VAL A 105 0.561 11.287 3.249 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.242 9.910 3.259 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.773 11.266 3.997 1.00 0.00 C ATOM 0 H VAL A 105 2.705 12.145 2.098 1.00 0.00 H new ATOM 0 HA VAL A 105 0.759 13.235 4.060 1.00 0.00 H new ATOM 0 HB VAL A 105 0.373 11.489 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.543 9.156 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.118 9.932 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.550 9.664 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.380 10.437 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.590 11.142 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.301 12.204 3.826 1.00 0.00 H new ATOM 1673 N ASP A 106 1.647 11.918 6.126 1.00 0.00 N ATOM 1674 CA ASP A 106 2.331 11.594 7.376 1.00 0.00 C ATOM 1675 C ASP A 106 2.950 10.196 7.308 1.00 0.00 C ATOM 1676 O ASP A 106 2.509 9.337 6.540 1.00 0.00 O ATOM 1677 CB ASP A 106 1.396 11.742 8.590 1.00 0.00 C ATOM 1678 CG ASP A 106 1.005 10.402 9.232 1.00 0.00 C ATOM 1679 OD1 ASP A 106 0.103 9.723 8.698 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.620 10.034 10.258 1.00 0.00 O ATOM 0 H ASP A 106 0.631 11.944 6.207 1.00 0.00 H new ATOM 0 HA ASP A 106 3.140 12.312 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.883 12.366 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.491 12.264 8.280 1.00 0.00 H new ATOM 1685 N ASP A 107 3.963 9.967 8.143 1.00 0.00 N ATOM 1686 CA ASP A 107 4.725 8.725 8.172 1.00 0.00 C ATOM 1687 C ASP A 107 3.844 7.495 8.378 1.00 0.00 C ATOM 1688 O ASP A 107 4.096 6.472 7.749 1.00 0.00 O ATOM 1689 CB ASP A 107 5.789 8.800 9.271 1.00 0.00 C ATOM 1690 CG ASP A 107 6.602 7.498 9.358 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.462 7.262 8.479 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.436 6.742 10.342 1.00 0.00 O ATOM 0 H ASP A 107 4.280 10.652 8.829 1.00 0.00 H new ATOM 0 HA ASP A 107 5.199 8.613 7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.460 9.636 9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.310 8.996 10.230 1.00 0.00 H new ATOM 1697 N ASP A 108 2.799 7.579 9.206 1.00 0.00 N ATOM 1698 CA ASP A 108 1.963 6.421 9.508 1.00 0.00 C ATOM 1699 C ASP A 108 1.084 6.081 8.302 1.00 0.00 C ATOM 1700 O ASP A 108 1.025 4.922 7.894 1.00 0.00 O ATOM 1701 CB ASP A 108 1.117 6.667 10.771 1.00 0.00 C ATOM 1702 CG ASP A 108 0.955 5.425 11.666 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.889 4.598 11.764 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -0.075 5.327 12.370 1.00 0.00 O ATOM 0 H ASP A 108 2.514 8.438 9.677 1.00 0.00 H new ATOM 0 HA ASP A 108 2.608 5.566 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.576 7.465 11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.129 7.018 10.472 1.00 0.00 H new ATOM 1709 N THR A 109 0.462 7.079 7.667 1.00 0.00 N ATOM 1710 CA THR A 109 -0.304 6.892 6.439 1.00 0.00 C ATOM 1711 C THR A 109 0.597 6.307 5.345 1.00 0.00 C ATOM 1712 O THR A 109 0.203 5.346 4.679 1.00 0.00 O ATOM 1713 CB THR A 109 -0.960 8.232 6.038 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.705 8.749 7.125 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.953 8.101 4.883 1.00 0.00 C ATOM 0 H THR A 109 0.478 8.044 7.996 1.00 0.00 H new ATOM 0 HA THR A 109 -1.109 6.173 6.593 1.00 0.00 H new ATOM 0 HB THR A 109 -0.134 8.878 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.114 9.267 7.710 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.376 9.079 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.439 7.713 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.753 7.418 5.167 1.00 0.00 H new ATOM 1723 N GLN A 110 1.821 6.825 5.192 1.00 0.00 N ATOM 1724 CA GLN A 110 2.760 6.315 4.204 1.00 0.00 C ATOM 1725 C GLN A 110 3.100 4.851 4.520 1.00 0.00 C ATOM 1726 O GLN A 110 3.063 4.009 3.625 1.00 0.00 O ATOM 1727 CB GLN A 110 4.009 7.218 4.160 1.00 0.00 C ATOM 1728 CG GLN A 110 4.718 7.209 2.796 1.00 0.00 C ATOM 1729 CD GLN A 110 5.278 5.841 2.404 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.177 5.309 3.050 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.761 5.239 1.343 1.00 0.00 N ATOM 0 H GLN A 110 2.180 7.602 5.747 1.00 0.00 H new ATOM 0 HA GLN A 110 2.312 6.335 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.719 8.240 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.711 6.894 4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.016 7.538 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.532 7.933 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.015 5.690 0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.109 4.324 1.055 1.00 0.00 H new ATOM 1740 N GLU A 111 3.377 4.526 5.784 1.00 0.00 N ATOM 1741 CA GLU A 111 3.713 3.172 6.205 1.00 0.00 C ATOM 1742 C GLU A 111 2.572 2.204 5.938 1.00 0.00 C ATOM 1743 O GLU A 111 2.826 1.108 5.451 1.00 0.00 O ATOM 1744 CB GLU A 111 4.091 3.147 7.693 1.00 0.00 C ATOM 1745 CG GLU A 111 5.570 3.496 7.892 1.00 0.00 C ATOM 1746 CD GLU A 111 6.532 2.347 7.514 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.115 1.312 6.948 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.744 2.436 7.810 1.00 0.00 O ATOM 0 H GLU A 111 3.373 5.203 6.547 1.00 0.00 H new ATOM 0 HA GLU A 111 4.571 2.850 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.470 3.855 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.888 2.159 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.812 4.373 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.734 3.768 8.935 1.00 0.00 H new ATOM 1755 N ALA A 112 1.324 2.600 6.194 1.00 0.00 N ATOM 1756 CA ALA A 112 0.165 1.757 5.917 1.00 0.00 C ATOM 1757 C ALA A 112 0.157 1.324 4.449 1.00 0.00 C ATOM 1758 O ALA A 112 -0.066 0.154 4.138 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.124 2.521 6.231 1.00 0.00 C ATOM 0 H ALA A 112 1.091 3.508 6.596 1.00 0.00 H new ATOM 0 HA ALA A 112 0.224 0.870 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.984 1.885 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.131 2.806 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.176 3.417 5.612 1.00 0.00 H new ATOM 1765 N ILE A 113 0.413 2.281 3.557 1.00 0.00 N ATOM 1766 CA ILE A 113 0.390 2.077 2.119 1.00 0.00 C ATOM 1767 C ILE A 113 1.581 1.209 1.708 1.00 0.00 C ATOM 1768 O ILE A 113 1.388 0.195 1.041 1.00 0.00 O ATOM 1769 CB ILE A 113 0.356 3.463 1.441 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.020 4.111 1.710 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.632 3.384 -0.069 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.014 5.632 1.582 1.00 0.00 C ATOM 0 H ILE A 113 0.646 3.237 3.825 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.498 1.535 1.795 1.00 0.00 H new ATOM 0 HB ILE A 113 1.151 4.075 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.749 3.699 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.350 3.840 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.597 4.385 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.619 2.952 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.123 2.759 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.013 6.018 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.310 6.055 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.715 5.911 0.572 1.00 0.00 H new ATOM 1784 N ALA A 114 2.800 1.568 2.117 1.00 0.00 N ATOM 1785 CA ALA A 114 4.002 0.822 1.763 1.00 0.00 C ATOM 1786 C ALA A 114 3.908 -0.627 2.250 1.00 0.00 C ATOM 1787 O ALA A 114 4.183 -1.559 1.497 1.00 0.00 O ATOM 1788 CB ALA A 114 5.228 1.509 2.374 1.00 0.00 C ATOM 0 H ALA A 114 2.978 2.384 2.702 1.00 0.00 H new ATOM 0 HA ALA A 114 4.099 0.806 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.127 0.952 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.305 2.526 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.125 1.539 3.459 1.00 0.00 H new ATOM 1794 N ASP A 115 3.486 -0.815 3.499 1.00 0.00 N ATOM 1795 CA ASP A 115 3.426 -2.125 4.136 1.00 0.00 C ATOM 1796 C ASP A 115 2.369 -3.014 3.475 1.00 0.00 C ATOM 1797 O ASP A 115 2.598 -4.207 3.264 1.00 0.00 O ATOM 1798 CB ASP A 115 3.159 -1.960 5.634 1.00 0.00 C ATOM 1799 CG ASP A 115 3.504 -3.235 6.404 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.718 -3.503 6.554 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.584 -3.905 6.917 1.00 0.00 O ATOM 0 H ASP A 115 3.174 -0.053 4.101 1.00 0.00 H new ATOM 0 HA ASP A 115 4.388 -2.622 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.748 -1.128 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.110 -1.709 5.793 1.00 0.00 H new ATOM 1806 N TRP A 116 1.241 -2.416 3.071 1.00 0.00 N ATOM 1807 CA TRP A 116 0.225 -3.094 2.278 1.00 0.00 C ATOM 1808 C TRP A 116 0.787 -3.502 0.916 1.00 0.00 C ATOM 1809 O TRP A 116 0.577 -4.632 0.475 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.992 -2.177 2.105 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.973 -2.637 1.071 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.229 -2.014 -0.102 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.753 -3.872 1.043 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.103 -2.775 -0.848 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.440 -3.942 -0.204 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.919 -4.961 1.926 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.237 -5.036 -0.563 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.735 -6.056 1.587 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.386 -6.097 0.341 1.00 0.00 C ATOM 0 H TRP A 116 1.013 -1.446 3.289 1.00 0.00 H new ATOM 0 HA TRP A 116 -0.084 -4.000 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.506 -2.091 3.063 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.644 -1.179 1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.812 -1.066 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.457 -2.505 -1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.411 -4.953 2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.730 -5.062 -1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.862 -6.869 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.001 -6.946 0.081 1.00 0.00 H new ATOM 1830 N LEU A 117 1.516 -2.604 0.248 1.00 0.00 N ATOM 1831 CA LEU A 117 2.074 -2.876 -1.069 1.00 0.00 C ATOM 1832 C LEU A 117 3.100 -4.010 -1.004 1.00 0.00 C ATOM 1833 O LEU A 117 3.177 -4.782 -1.959 1.00 0.00 O ATOM 1834 CB LEU A 117 2.666 -1.599 -1.690 1.00 0.00 C ATOM 1835 CG LEU A 117 1.596 -0.577 -2.135 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.254 0.777 -2.419 1.00 0.00 C ATOM 1837 CD2 LEU A 117 0.822 -1.040 -3.377 1.00 0.00 C ATOM 0 H LEU A 117 1.732 -1.674 0.607 1.00 0.00 H new ATOM 0 HA LEU A 117 1.267 -3.208 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.330 -1.126 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.276 -1.872 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 117 0.881 -0.485 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.494 1.492 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.744 1.140 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.993 0.663 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.083 -0.286 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.515 -1.182 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.317 -1.982 -3.161 1.00 0.00 H new ATOM 1849 N TYR A 118 3.837 -4.179 0.102 1.00 0.00 N ATOM 1850 CA TYR A 118 4.713 -5.338 0.278 1.00 0.00 C ATOM 1851 C TYR A 118 3.885 -6.626 0.297 1.00 0.00 C ATOM 1852 O TYR A 118 4.184 -7.560 -0.443 1.00 0.00 O ATOM 1853 CB TYR A 118 5.550 -5.239 1.568 1.00 0.00 C ATOM 1854 CG TYR A 118 6.374 -3.979 1.790 1.00 0.00 C ATOM 1855 CD1 TYR A 118 6.915 -3.244 0.714 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.607 -3.545 3.111 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.650 -2.069 0.956 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.328 -2.365 3.361 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.855 -1.620 2.281 1.00 0.00 C ATOM 1860 OH TYR A 118 8.563 -0.476 2.501 1.00 0.00 O ATOM 0 H TYR A 118 3.842 -3.527 0.886 1.00 0.00 H new ATOM 0 HA TYR A 118 5.403 -5.355 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.873 -5.348 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.230 -6.091 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.764 -3.585 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.228 -4.125 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.059 -1.509 0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.479 -2.028 4.376 1.00 0.00 H new ATOM 0 HH TYR A 118 8.614 -0.303 3.464 1.00 0.00 H new ATOM 1870 N TRP A 119 2.825 -6.684 1.108 1.00 0.00 N ATOM 1871 CA TRP A 119 1.960 -7.859 1.205 1.00 0.00 C ATOM 1872 C TRP A 119 1.270 -8.158 -0.129 1.00 0.00 C ATOM 1873 O TRP A 119 1.129 -9.323 -0.504 1.00 0.00 O ATOM 1874 CB TRP A 119 0.953 -7.630 2.335 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.218 -8.565 2.418 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.332 -8.482 1.657 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.472 -9.649 3.363 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.239 -9.449 2.031 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.787 -10.157 3.129 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.251 -10.212 4.438 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.359 -11.140 3.954 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.331 -11.167 5.293 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.638 -11.625 5.058 1.00 0.00 C ATOM 0 H TRP A 119 2.544 -5.915 1.716 1.00 0.00 H new ATOM 0 HA TRP A 119 2.560 -8.739 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.492 -7.680 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.567 -6.615 2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.489 -7.761 0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.127 -9.620 1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.272 -9.903 4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.347 -11.520 3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.230 -11.549 6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.087 -12.347 5.724 1.00 0.00 H new ATOM 1894 N LEU A 120 0.871 -7.130 -0.879 1.00 0.00 N ATOM 1895 CA LEU A 120 0.314 -7.296 -2.213 1.00 0.00 C ATOM 1896 C LEU A 120 1.359 -7.929 -3.132 1.00 0.00 C ATOM 1897 O LEU A 120 1.105 -8.973 -3.734 1.00 0.00 O ATOM 1898 CB LEU A 120 -0.129 -5.919 -2.728 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.730 -5.951 -4.143 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -2.067 -6.698 -4.164 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.918 -4.509 -4.615 1.00 0.00 C ATOM 0 H LEU A 120 0.927 -6.158 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.551 -7.959 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.865 -5.503 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.728 -5.246 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.053 -6.484 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.465 -6.703 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.916 -7.724 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.773 -6.200 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.344 -4.507 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.591 -3.988 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.047 -4.002 -4.630 1.00 0.00 H new ATOM 1913 N ALA A 121 2.554 -7.333 -3.195 1.00 0.00 N ATOM 1914 CA ALA A 121 3.662 -7.808 -4.015 1.00 0.00 C ATOM 1915 C ALA A 121 4.158 -9.199 -3.593 1.00 0.00 C ATOM 1916 O ALA A 121 4.807 -9.878 -4.388 1.00 0.00 O ATOM 1917 CB ALA A 121 4.798 -6.782 -3.964 1.00 0.00 C ATOM 0 H ALA A 121 2.778 -6.491 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 121 3.304 -7.914 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 121 5.631 -7.130 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 121 4.442 -5.826 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.131 -6.659 -2.933 1.00 0.00 H new ATOM 1923 N ARG A 122 3.832 -9.657 -2.377 1.00 0.00 N ATOM 1924 CA ARG A 122 4.101 -11.023 -1.919 1.00 0.00 C ATOM 1925 C ARG A 122 3.351 -12.065 -2.758 1.00 0.00 C ATOM 1926 O ARG A 122 3.705 -13.243 -2.708 1.00 0.00 O ATOM 1927 CB ARG A 122 3.749 -11.140 -0.419 1.00 0.00 C ATOM 1928 CG ARG A 122 4.437 -12.287 0.340 1.00 0.00 C ATOM 1929 CD ARG A 122 5.958 -12.121 0.504 1.00 0.00 C ATOM 1930 NE ARG A 122 6.335 -10.961 1.337 1.00 0.00 N ATOM 1931 CZ ARG A 122 6.374 -10.929 2.677 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.938 -11.951 3.404 1.00 0.00 N ATOM 1933 NH2 ARG A 122 6.864 -9.863 3.290 1.00 0.00 N ATOM 0 H ARG A 122 3.368 -9.080 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 122 5.163 -11.232 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.005 -10.200 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.670 -11.263 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.985 -12.375 1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.241 -13.222 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.369 -13.027 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.413 -12.015 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 122 6.590 -10.104 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.564 -12.781 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.977 -11.906 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.208 -9.074 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.897 -9.831 4.309 1.00 0.00 H new