USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 CYS SG : rot 115:sc= 0.867 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 143:sc= -1.05 (180deg=-3.6!) 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 81:sc= 1.25 USER MOD Single : A 45 MET CE :methyl -167:sc= -0.282 (180deg=-0.534) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.16) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.953) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc=-0.00865 (180deg=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -164:sc= -0.0518 (180deg=-0.23) 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 180:sc= 0.822 USER MOD Single : A 109 THR OG1 : rot 67:sc= 0.622 USER MOD Single : A 110 GLN : amide:sc= 0.174 X(o=0.17,f=-0.17) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.309 -8.196 13.105 1.00 0.00 N ATOM 281 CA ILE A 18 -2.281 -7.892 12.045 1.00 0.00 C ATOM 282 C ILE A 18 -3.159 -9.117 11.762 1.00 0.00 C ATOM 283 O ILE A 18 -4.377 -8.965 11.662 1.00 0.00 O ATOM 284 CB ILE A 18 -1.579 -7.335 10.776 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.630 -6.168 11.145 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.616 -6.870 9.733 1.00 0.00 C ATOM 287 CD1 ILE A 18 0.011 -5.451 9.953 1.00 0.00 C ATOM 0 HA ILE A 18 -2.944 -7.098 12.389 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.988 -8.140 10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.188 -5.438 11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.162 -6.553 11.786 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.100 -6.484 8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.245 -7.712 9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.237 -6.084 10.163 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.657 -4.651 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.602 -6.162 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.769 -5.029 9.320 1.00 0.00 H new ATOM 299 N ILE A 19 -2.586 -10.325 11.680 1.00 0.00 N ATOM 300 CA ILE A 19 -3.302 -11.517 11.214 1.00 0.00 C ATOM 301 C ILE A 19 -3.124 -12.730 12.150 1.00 0.00 C ATOM 302 O ILE A 19 -3.263 -13.870 11.717 1.00 0.00 O ATOM 303 CB ILE A 19 -2.915 -11.813 9.753 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.393 -12.003 9.653 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.412 -10.717 8.786 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.035 -12.822 8.429 1.00 0.00 C ATOM 0 H ILE A 19 -1.614 -10.502 11.935 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.372 -11.310 11.244 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.409 -12.736 9.448 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.903 -11.031 9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.024 -12.500 10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.116 -10.969 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.498 -10.648 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.973 -9.759 9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.047 -12.945 8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.509 -13.802 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.385 -12.310 7.533 1.00 0.00 H new ATOM 318 N VAL A 20 -2.805 -12.507 13.427 1.00 0.00 N ATOM 319 CA VAL A 20 -2.450 -13.560 14.388 1.00 0.00 C ATOM 320 C VAL A 20 -3.447 -14.728 14.452 1.00 0.00 C ATOM 321 O VAL A 20 -3.030 -15.880 14.588 1.00 0.00 O ATOM 322 CB VAL A 20 -2.188 -12.914 15.766 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.472 -12.404 16.442 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.456 -13.873 16.714 1.00 0.00 C ATOM 0 H VAL A 20 -2.785 -11.571 13.832 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.536 -14.036 14.033 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.550 -12.053 15.566 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.224 -11.961 17.406 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.943 -11.653 15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.160 -13.236 16.591 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.290 -13.381 17.673 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.060 -14.767 16.865 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.496 -14.153 16.279 1.00 0.00 H new ATOM 334 N ASP A 21 -4.748 -14.454 14.319 1.00 0.00 N ATOM 335 CA ASP A 21 -5.826 -15.444 14.403 1.00 0.00 C ATOM 336 C ASP A 21 -6.537 -15.618 13.047 1.00 0.00 C ATOM 337 O ASP A 21 -7.541 -16.344 12.941 1.00 0.00 O ATOM 338 CB ASP A 21 -6.822 -15.048 15.508 1.00 0.00 C ATOM 339 CG ASP A 21 -7.826 -13.963 15.073 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.402 -12.924 14.518 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.039 -14.119 15.342 1.00 0.00 O ATOM 0 H ASP A 21 -5.090 -13.509 14.145 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.387 -16.408 14.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.372 -15.934 15.825 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.267 -14.691 16.375 1.00 0.00 H new ATOM 346 N ALA A 22 -5.992 -14.954 12.017 1.00 0.00 N ATOM 347 CA ALA A 22 -6.587 -14.787 10.709 1.00 0.00 C ATOM 348 C ALA A 22 -5.781 -15.524 9.650 1.00 0.00 C ATOM 349 O ALA A 22 -4.570 -15.367 9.481 1.00 0.00 O ATOM 350 CB ALA A 22 -6.654 -13.312 10.333 1.00 0.00 C ATOM 0 H ALA A 22 -5.081 -14.502 12.091 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.595 -15.200 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.105 -13.208 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.258 -12.777 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.647 -12.894 10.318 1.00 0.00 H new ATOM 356 N GLU A 23 -6.523 -16.297 8.889 1.00 0.00 N ATOM 357 CA GLU A 23 -6.047 -17.257 7.902 1.00 0.00 C ATOM 358 C GLU A 23 -7.131 -17.587 6.877 1.00 0.00 C ATOM 359 O GLU A 23 -6.829 -17.914 5.728 1.00 0.00 O ATOM 360 CB GLU A 23 -5.519 -18.518 8.602 1.00 0.00 C ATOM 361 CG GLU A 23 -6.543 -19.571 9.047 1.00 0.00 C ATOM 362 CD GLU A 23 -7.428 -19.132 10.221 1.00 0.00 C ATOM 363 OE1 GLU A 23 -8.074 -18.063 10.157 1.00 0.00 O ATOM 364 OE2 GLU A 23 -7.551 -19.862 11.231 1.00 0.00 O ATOM 0 H GLU A 23 -7.541 -16.275 8.942 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.222 -16.806 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.811 -19.003 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.959 -18.203 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.181 -19.822 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.013 -20.481 9.327 1.00 0.00 H new ATOM 371 N ASP A 24 -8.394 -17.473 7.289 1.00 0.00 N ATOM 372 CA ASP A 24 -9.548 -17.527 6.423 1.00 0.00 C ATOM 373 C ASP A 24 -9.478 -16.199 5.676 1.00 0.00 C ATOM 374 O ASP A 24 -9.151 -15.168 6.278 1.00 0.00 O ATOM 375 CB ASP A 24 -10.847 -17.618 7.244 1.00 0.00 C ATOM 376 CG ASP A 24 -10.890 -18.753 8.292 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.010 -19.933 7.891 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.846 -18.473 9.520 1.00 0.00 O ATOM 0 H ASP A 24 -8.638 -17.336 8.270 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.549 -18.396 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.001 -16.668 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.683 -17.749 6.557 1.00 0.00 H new ATOM 383 N LYS A 25 -9.757 -16.194 4.375 1.00 0.00 N ATOM 384 CA LYS A 25 -9.494 -15.010 3.550 1.00 0.00 C ATOM 385 C LYS A 25 -10.250 -13.775 4.034 1.00 0.00 C ATOM 386 O LYS A 25 -9.736 -12.664 3.916 1.00 0.00 O ATOM 387 CB LYS A 25 -9.764 -15.302 2.069 1.00 0.00 C ATOM 388 CG LYS A 25 -11.239 -15.620 1.774 1.00 0.00 C ATOM 389 CD LYS A 25 -11.496 -15.927 0.293 1.00 0.00 C ATOM 390 CE LYS A 25 -10.736 -17.179 -0.172 1.00 0.00 C ATOM 391 NZ LYS A 25 -11.018 -17.514 -1.590 1.00 0.00 N ATOM 0 H LYS A 25 -10.160 -16.984 3.871 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.435 -14.775 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.458 -14.441 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.147 -16.143 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.549 -16.474 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.856 -14.774 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.564 -16.070 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.194 -15.073 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.665 -17.020 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.010 -18.024 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.484 -18.365 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.036 -17.692 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.733 -16.720 -2.198 1.00 0.00 H new ATOM 405 N GLU A 26 -11.444 -13.968 4.601 1.00 0.00 N ATOM 406 CA GLU A 26 -12.256 -12.874 5.106 1.00 0.00 C ATOM 407 C GLU A 26 -11.578 -12.285 6.338 1.00 0.00 C ATOM 408 O GLU A 26 -11.536 -11.065 6.494 1.00 0.00 O ATOM 409 CB GLU A 26 -13.669 -13.373 5.446 1.00 0.00 C ATOM 410 CG GLU A 26 -14.448 -13.809 4.196 1.00 0.00 C ATOM 411 CD GLU A 26 -15.876 -14.260 4.547 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.079 -15.448 4.888 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.819 -13.440 4.466 1.00 0.00 O ATOM 0 H GLU A 26 -11.868 -14.888 4.720 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.350 -12.101 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.599 -14.211 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.218 -12.582 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.491 -12.982 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.919 -14.625 3.703 1.00 0.00 H new ATOM 420 N GLU A 27 -10.996 -13.126 7.199 1.00 0.00 N ATOM 421 CA GLU A 27 -10.323 -12.648 8.392 1.00 0.00 C ATOM 422 C GLU A 27 -9.026 -11.960 8.017 1.00 0.00 C ATOM 423 O GLU A 27 -8.728 -10.917 8.593 1.00 0.00 O ATOM 424 CB GLU A 27 -10.038 -13.771 9.388 1.00 0.00 C ATOM 425 CG GLU A 27 -11.327 -14.482 9.807 1.00 0.00 C ATOM 426 CD GLU A 27 -11.156 -15.376 11.038 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.077 -15.387 11.664 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.066 -16.157 11.391 1.00 0.00 O ATOM 0 H GLU A 27 -10.982 -14.139 7.084 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.994 -11.940 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.352 -14.491 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.543 -13.362 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.094 -13.736 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.686 -15.087 8.975 1.00 0.00 H new ATOM 435 N ARG A 28 -8.251 -12.497 7.061 1.00 0.00 N ATOM 436 CA ARG A 28 -7.032 -11.787 6.657 1.00 0.00 C ATOM 437 C ARG A 28 -7.377 -10.434 6.049 1.00 0.00 C ATOM 438 O ARG A 28 -6.730 -9.448 6.402 1.00 0.00 O ATOM 439 CB ARG A 28 -6.127 -12.627 5.744 1.00 0.00 C ATOM 440 CG ARG A 28 -5.413 -13.688 6.590 1.00 0.00 C ATOM 441 CD ARG A 28 -4.204 -14.321 5.895 1.00 0.00 C ATOM 442 NE ARG A 28 -3.438 -15.117 6.869 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.408 -15.932 6.618 1.00 0.00 C ATOM 444 NH1 ARG A 28 -1.924 -16.061 5.386 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.878 -16.618 7.625 1.00 0.00 N ATOM 0 H ARG A 28 -8.434 -13.375 6.576 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.445 -11.608 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.719 -13.104 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.397 -11.988 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.086 -13.234 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.124 -14.473 6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.535 -14.954 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.571 -13.545 5.465 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.725 -15.038 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.339 -15.534 4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.138 -16.687 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.257 -16.517 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.092 -17.246 7.457 1.00 0.00 H new ATOM 459 N ALA A 29 -8.420 -10.357 5.219 1.00 0.00 N ATOM 460 CA ALA A 29 -8.874 -9.095 4.665 1.00 0.00 C ATOM 461 C ALA A 29 -9.237 -8.113 5.783 1.00 0.00 C ATOM 462 O ALA A 29 -8.789 -6.968 5.751 1.00 0.00 O ATOM 463 CB ALA A 29 -10.055 -9.349 3.726 1.00 0.00 C ATOM 0 H ALA A 29 -8.965 -11.165 4.919 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.069 -8.639 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.398 -8.402 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.742 -10.010 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.868 -9.816 4.282 1.00 0.00 H new ATOM 469 N MET A 30 -9.994 -8.552 6.795 1.00 0.00 N ATOM 470 CA MET A 30 -10.365 -7.697 7.918 1.00 0.00 C ATOM 471 C MET A 30 -9.158 -7.295 8.765 1.00 0.00 C ATOM 472 O MET A 30 -9.054 -6.126 9.126 1.00 0.00 O ATOM 473 CB MET A 30 -11.456 -8.354 8.770 1.00 0.00 C ATOM 474 CG MET A 30 -12.817 -8.403 8.060 1.00 0.00 C ATOM 475 SD MET A 30 -13.595 -6.806 7.659 1.00 0.00 S ATOM 476 CE MET A 30 -12.921 -6.451 6.009 1.00 0.00 C ATOM 0 H MET A 30 -10.362 -9.502 6.855 1.00 0.00 H new ATOM 0 HA MET A 30 -10.772 -6.776 7.500 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.149 -9.368 9.027 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.559 -7.805 9.706 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.696 -8.964 7.133 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.507 -8.968 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.688 -5.976 5.397 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.065 -5.783 6.102 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.606 -7.381 5.537 1.00 0.00 H new ATOM 486 N GLY A 31 -8.226 -8.206 9.048 1.00 0.00 N ATOM 487 CA GLY A 31 -7.035 -7.906 9.830 1.00 0.00 C ATOM 488 C GLY A 31 -6.221 -6.800 9.164 1.00 0.00 C ATOM 489 O GLY A 31 -5.902 -5.793 9.804 1.00 0.00 O ATOM 0 H GLY A 31 -8.280 -9.176 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.321 -7.599 10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.425 -8.803 9.932 1.00 0.00 H new ATOM 493 N TRP A 32 -5.956 -6.949 7.861 1.00 0.00 N ATOM 494 CA TRP A 32 -5.286 -5.920 7.081 1.00 0.00 C ATOM 495 C TRP A 32 -6.091 -4.620 7.091 1.00 0.00 C ATOM 496 O TRP A 32 -5.522 -3.570 7.376 1.00 0.00 O ATOM 497 CB TRP A 32 -5.034 -6.411 5.648 1.00 0.00 C ATOM 498 CG TRP A 32 -3.809 -7.259 5.505 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.765 -8.596 5.324 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.420 -6.825 5.534 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.455 -9.019 5.222 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.577 -7.966 5.397 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.795 -5.569 5.669 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.179 -7.857 5.435 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.394 -5.446 5.677 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.413 -6.589 5.562 1.00 0.00 C ATOM 0 H TRP A 32 -6.201 -7.783 7.327 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.319 -5.712 7.540 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.900 -6.981 5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.945 -5.548 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.629 -9.241 5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.172 -9.982 5.041 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.404 -4.683 5.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.438 -8.741 5.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.061 -4.471 5.772 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.489 -6.494 5.571 1.00 0.00 H new ATOM 517 N TYR A 33 -7.399 -4.680 6.823 1.00 0.00 N ATOM 518 CA TYR A 33 -8.265 -3.507 6.742 1.00 0.00 C ATOM 519 C TYR A 33 -8.236 -2.701 8.042 1.00 0.00 C ATOM 520 O TYR A 33 -8.067 -1.482 7.996 1.00 0.00 O ATOM 521 CB TYR A 33 -9.693 -3.964 6.397 1.00 0.00 C ATOM 522 CG TYR A 33 -10.801 -2.947 6.605 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.749 -1.682 5.990 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.897 -3.275 7.423 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.782 -0.751 6.193 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.923 -2.343 7.652 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.876 -1.074 7.028 1.00 0.00 C ATOM 528 OH TYR A 33 -13.864 -0.158 7.235 1.00 0.00 O ATOM 0 H TYR A 33 -7.890 -5.558 6.654 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.900 -2.845 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.708 -4.275 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.923 -4.845 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.911 -1.426 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.950 -4.252 7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.740 0.214 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.747 -2.595 8.304 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.542 -0.537 7.832 1.00 0.00 H new ATOM 538 N TYR A 34 -8.364 -3.359 9.198 1.00 0.00 N ATOM 539 CA TYR A 34 -8.436 -2.677 10.481 1.00 0.00 C ATOM 540 C TYR A 34 -7.112 -1.978 10.790 1.00 0.00 C ATOM 541 O TYR A 34 -7.118 -0.820 11.206 1.00 0.00 O ATOM 542 CB TYR A 34 -8.774 -3.680 11.598 1.00 0.00 C ATOM 543 CG TYR A 34 -10.100 -4.431 11.524 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.167 -4.016 10.696 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.261 -5.573 12.335 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.383 -4.726 10.696 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.470 -6.290 12.334 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.541 -5.867 11.516 1.00 0.00 C ATOM 549 OH TYR A 34 -13.710 -6.566 11.527 1.00 0.00 O ATOM 0 H TYR A 34 -8.420 -4.375 9.264 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.224 -1.926 10.429 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.975 -4.421 11.632 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.750 -3.142 12.546 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.049 -3.151 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.446 -5.901 12.964 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.198 -4.398 10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.580 -7.164 12.959 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.635 -7.319 12.149 1.00 0.00 H new ATOM 559 N TYR A 35 -5.978 -2.655 10.584 1.00 0.00 N ATOM 560 CA TYR A 35 -4.673 -2.081 10.887 1.00 0.00 C ATOM 561 C TYR A 35 -4.330 -0.960 9.905 1.00 0.00 C ATOM 562 O TYR A 35 -3.783 0.063 10.323 1.00 0.00 O ATOM 563 CB TYR A 35 -3.618 -3.193 10.840 1.00 0.00 C ATOM 564 CG TYR A 35 -2.220 -2.736 11.210 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.347 -2.259 10.212 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.788 -2.792 12.549 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.047 -1.844 10.545 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.486 -2.385 12.889 1.00 0.00 C ATOM 569 CZ TYR A 35 0.392 -1.908 11.888 1.00 0.00 C ATOM 570 OH TYR A 35 1.654 -1.519 12.228 1.00 0.00 O ATOM 0 H TYR A 35 -5.943 -3.602 10.208 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.692 -1.644 11.885 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.918 -3.993 11.517 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.596 -3.616 9.836 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.679 -2.212 9.185 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.459 -3.149 13.317 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.617 -1.476 9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.156 -2.437 13.916 1.00 0.00 H new ATOM 0 HH TYR A 35 1.782 -1.630 13.193 1.00 0.00 H new ATOM 580 N LEU A 36 -4.656 -1.121 8.616 1.00 0.00 N ATOM 581 CA LEU A 36 -4.417 -0.094 7.615 1.00 0.00 C ATOM 582 C LEU A 36 -5.237 1.129 7.958 1.00 0.00 C ATOM 583 O LEU A 36 -4.627 2.188 8.073 1.00 0.00 O ATOM 584 CB LEU A 36 -4.735 -0.580 6.192 1.00 0.00 C ATOM 585 CG LEU A 36 -3.499 -1.062 5.411 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.542 -1.962 6.203 1.00 0.00 C ATOM 587 CD2 LEU A 36 -3.975 -1.808 4.161 1.00 0.00 C ATOM 0 H LEU A 36 -5.091 -1.967 8.247 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.356 0.154 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.458 -1.394 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.210 0.230 5.639 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.924 -0.169 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.704 -2.249 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.170 -1.421 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.072 -2.856 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.112 -2.157 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.584 -2.662 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.568 -1.137 3.540 1.00 0.00 H new ATOM 599 N ASP A 37 -6.552 1.001 8.203 1.00 0.00 N ATOM 600 CA ASP A 37 -7.337 2.153 8.644 1.00 0.00 C ATOM 601 C ASP A 37 -6.663 2.745 9.830 1.00 0.00 C ATOM 602 O ASP A 37 -6.444 3.959 9.829 1.00 0.00 O ATOM 603 CB ASP A 37 -8.787 1.858 9.090 1.00 0.00 C ATOM 604 CG ASP A 37 -9.532 3.034 9.824 1.00 0.00 C ATOM 605 OD1 ASP A 37 -8.995 3.799 10.680 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.752 3.155 9.574 1.00 0.00 O ATOM 0 H ASP A 37 -7.078 0.133 8.105 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.395 2.801 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.367 1.578 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.774 0.992 9.752 1.00 0.00 H new ATOM 611 N ASP A 38 -6.315 1.936 10.839 1.00 0.00 N ATOM 612 CA ASP A 38 -5.917 2.607 12.043 1.00 0.00 C ATOM 613 C ASP A 38 -4.649 3.433 11.876 1.00 0.00 C ATOM 614 O ASP A 38 -4.573 4.535 12.422 1.00 0.00 O ATOM 615 CB ASP A 38 -5.991 1.819 13.340 1.00 0.00 C ATOM 616 CG ASP A 38 -6.162 2.868 14.476 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.761 3.958 14.235 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.709 2.602 15.612 1.00 0.00 O ATOM 0 H ASP A 38 -6.304 0.916 10.840 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.729 3.318 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.829 1.122 13.325 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.087 1.228 13.489 1.00 0.00 H new ATOM 623 N THR A 39 -3.765 2.984 10.992 1.00 0.00 N ATOM 624 CA THR A 39 -2.480 3.610 10.767 1.00 0.00 C ATOM 625 C THR A 39 -2.650 4.855 9.881 1.00 0.00 C ATOM 626 O THR A 39 -2.024 5.886 10.133 1.00 0.00 O ATOM 627 CB THR A 39 -1.565 2.543 10.147 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.492 1.395 10.969 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.161 3.095 9.960 1.00 0.00 C ATOM 0 H THR A 39 -3.929 2.164 10.407 1.00 0.00 H new ATOM 0 HA THR A 39 -2.028 3.966 11.692 1.00 0.00 H new ATOM 0 HB THR A 39 -1.990 2.268 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.281 0.834 10.818 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.476 2.328 9.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.196 3.961 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.245 3.393 10.927 1.00 0.00 H new ATOM 637 N LEU A 40 -3.506 4.771 8.861 1.00 0.00 N ATOM 638 CA LEU A 40 -3.920 5.900 8.034 1.00 0.00 C ATOM 639 C LEU A 40 -4.695 6.917 8.889 1.00 0.00 C ATOM 640 O LEU A 40 -5.466 6.556 9.789 1.00 0.00 O ATOM 641 CB LEU A 40 -4.825 5.419 6.881 1.00 0.00 C ATOM 642 CG LEU A 40 -4.204 4.386 5.915 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.307 3.693 5.104 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.190 4.970 4.933 1.00 0.00 C ATOM 0 H LEU A 40 -3.941 3.891 8.582 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.028 6.369 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.728 4.986 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.133 6.289 6.301 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.669 3.684 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.858 2.967 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.991 3.182 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.856 4.437 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.804 4.176 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.674 5.729 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.367 5.422 5.486 1.00 0.00 H new ATOM 656 N GLU A 41 -4.576 8.195 8.532 1.00 0.00 N ATOM 657 CA GLU A 41 -5.337 9.305 9.106 1.00 0.00 C ATOM 658 C GLU A 41 -5.996 10.091 7.961 1.00 0.00 C ATOM 659 O GLU A 41 -5.810 11.300 7.804 1.00 0.00 O ATOM 660 CB GLU A 41 -4.436 10.149 10.026 1.00 0.00 C ATOM 661 CG GLU A 41 -4.035 9.403 11.309 1.00 0.00 C ATOM 662 CD GLU A 41 -5.215 9.226 12.286 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.465 10.138 13.108 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.902 8.175 12.261 1.00 0.00 O ATOM 0 H GLU A 41 -3.923 8.497 7.809 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.142 8.947 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.537 10.438 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.956 11.069 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.636 8.423 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.234 9.950 11.807 1.00 0.00 H new ATOM 671 N PHE A 42 -6.738 9.365 7.117 1.00 0.00 N ATOM 672 CA PHE A 42 -7.589 9.924 6.068 1.00 0.00 C ATOM 673 C PHE A 42 -8.684 10.846 6.653 1.00 0.00 C ATOM 674 O PHE A 42 -8.983 10.730 7.848 1.00 0.00 O ATOM 675 CB PHE A 42 -8.155 8.761 5.234 1.00 0.00 C ATOM 676 CG PHE A 42 -8.936 7.695 5.988 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.223 7.976 6.490 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.430 6.382 6.078 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.992 6.958 7.078 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.199 5.365 6.670 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.483 5.652 7.163 1.00 0.00 C ATOM 0 H PHE A 42 -6.762 8.346 7.148 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.003 10.567 5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.805 9.179 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.325 8.275 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.620 8.978 6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.447 6.157 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.976 7.180 7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.803 4.363 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.079 4.868 7.607 1.00 0.00 H new ATOM 691 N PRO A 43 -9.332 11.726 5.858 1.00 0.00 N ATOM 692 CA PRO A 43 -9.104 11.990 4.433 1.00 0.00 C ATOM 693 C PRO A 43 -7.720 12.597 4.177 1.00 0.00 C ATOM 694 O PRO A 43 -7.180 13.292 5.042 1.00 0.00 O ATOM 695 CB PRO A 43 -10.219 12.958 4.016 1.00 0.00 C ATOM 696 CG PRO A 43 -10.564 13.697 5.304 1.00 0.00 C ATOM 697 CD PRO A 43 -10.368 12.618 6.365 1.00 0.00 C ATOM 0 HA PRO A 43 -9.127 11.067 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.882 13.645 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.082 12.425 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.909 14.553 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.586 14.075 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.070 13.058 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.296 12.074 6.542 1.00 0.00 H new ATOM 705 N PHE A 44 -7.141 12.340 3.000 1.00 0.00 N ATOM 706 CA PHE A 44 -5.863 12.929 2.595 1.00 0.00 C ATOM 707 C PHE A 44 -5.808 13.061 1.073 1.00 0.00 C ATOM 708 O PHE A 44 -6.618 12.467 0.369 1.00 0.00 O ATOM 709 CB PHE A 44 -4.676 12.116 3.149 1.00 0.00 C ATOM 710 CG PHE A 44 -4.562 10.658 2.728 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.119 10.326 1.436 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.827 9.621 3.641 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.958 8.989 1.044 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.699 8.277 3.246 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.255 7.957 1.950 1.00 0.00 C ATOM 0 H PHE A 44 -7.546 11.717 2.301 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.784 13.929 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.756 12.623 2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.726 12.148 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.899 11.115 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.130 9.858 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.607 8.754 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.943 7.487 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.143 6.925 1.653 1.00 0.00 H new ATOM 725 N MET A 45 -4.859 13.829 0.543 1.00 0.00 N ATOM 726 CA MET A 45 -4.669 13.971 -0.898 1.00 0.00 C ATOM 727 C MET A 45 -3.735 12.865 -1.393 1.00 0.00 C ATOM 728 O MET A 45 -2.758 12.543 -0.718 1.00 0.00 O ATOM 729 CB MET A 45 -4.054 15.356 -1.150 1.00 0.00 C ATOM 730 CG MET A 45 -3.811 15.643 -2.630 1.00 0.00 C ATOM 731 SD MET A 45 -2.974 17.218 -2.929 1.00 0.00 S ATOM 732 CE MET A 45 -2.922 17.132 -4.732 1.00 0.00 C ATOM 0 H MET A 45 -4.199 14.371 1.101 1.00 0.00 H new ATOM 0 HA MET A 45 -5.614 13.884 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.715 16.120 -0.742 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.109 15.431 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.214 14.836 -3.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.767 15.643 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.243 17.895 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.571 16.147 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.921 17.302 -5.133 1.00 0.00 H new ATOM 742 N GLY A 46 -3.959 12.324 -2.590 1.00 0.00 N ATOM 743 CA GLY A 46 -3.024 11.404 -3.211 1.00 0.00 C ATOM 744 C GLY A 46 -3.110 11.462 -4.725 1.00 0.00 C ATOM 745 O GLY A 46 -3.985 12.111 -5.301 1.00 0.00 O ATOM 0 H GLY A 46 -4.791 12.514 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.009 11.645 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.231 10.389 -2.872 1.00 0.00 H new ATOM 749 N LYS A 47 -2.171 10.791 -5.379 1.00 0.00 N ATOM 750 CA LYS A 47 -2.232 10.551 -6.812 1.00 0.00 C ATOM 751 C LYS A 47 -2.749 9.129 -6.982 1.00 0.00 C ATOM 752 O LYS A 47 -2.159 8.189 -6.444 1.00 0.00 O ATOM 753 CB LYS A 47 -0.839 10.717 -7.457 1.00 0.00 C ATOM 754 CG LYS A 47 -0.926 11.056 -8.957 1.00 0.00 C ATOM 755 CD LYS A 47 -1.308 12.526 -9.223 1.00 0.00 C ATOM 756 CE LYS A 47 -0.179 13.531 -8.943 1.00 0.00 C ATOM 757 NZ LYS A 47 0.793 13.639 -10.060 1.00 0.00 N ATOM 0 H LYS A 47 -1.345 10.398 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.887 11.268 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.293 11.506 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.269 9.797 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.034 10.845 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.662 10.404 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.619 12.626 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.169 12.783 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.613 14.512 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.349 13.233 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.677 14.061 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.989 12.692 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.395 14.240 -10.810 1.00 0.00 H new ATOM 771 N TRP A 48 -3.859 8.964 -7.693 1.00 0.00 N ATOM 772 CA TRP A 48 -4.316 7.657 -8.122 1.00 0.00 C ATOM 773 C TRP A 48 -3.475 7.384 -9.362 1.00 0.00 C ATOM 774 O TRP A 48 -3.622 8.060 -10.381 1.00 0.00 O ATOM 775 CB TRP A 48 -5.825 7.671 -8.421 1.00 0.00 C ATOM 776 CG TRP A 48 -6.442 6.368 -8.849 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.811 5.178 -8.945 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.823 6.096 -9.247 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.680 4.201 -9.365 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.944 4.709 -9.573 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.989 6.883 -9.360 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.156 4.139 -9.990 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.212 6.322 -9.774 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.297 4.953 -10.089 1.00 0.00 C ATOM 0 H TRP A 48 -4.462 9.733 -7.985 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.196 6.881 -7.366 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.345 8.016 -7.528 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.010 8.408 -9.203 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.767 5.017 -8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.423 3.224 -9.505 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.942 7.936 -9.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.211 3.088 -10.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.090 6.946 -9.850 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.238 4.529 -10.406 1.00 0.00 H new ATOM 795 N LYS A 49 -2.537 6.448 -9.272 1.00 0.00 N ATOM 796 CA LYS A 49 -1.681 6.046 -10.382 1.00 0.00 C ATOM 797 C LYS A 49 -2.440 4.945 -11.118 1.00 0.00 C ATOM 798 O LYS A 49 -2.063 3.775 -11.061 1.00 0.00 O ATOM 799 CB LYS A 49 -0.319 5.598 -9.820 1.00 0.00 C ATOM 800 CG LYS A 49 0.461 6.792 -9.242 1.00 0.00 C ATOM 801 CD LYS A 49 1.638 6.362 -8.363 1.00 0.00 C ATOM 802 CE LYS A 49 2.793 5.721 -9.141 1.00 0.00 C ATOM 803 NZ LYS A 49 3.865 5.257 -8.227 1.00 0.00 N ATOM 0 H LYS A 49 -2.347 5.938 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.463 6.850 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.471 4.849 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.266 5.125 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.831 7.409 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.216 7.413 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.014 7.232 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.280 5.655 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.419 4.879 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.202 6.442 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.792 5.419 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.811 5.785 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.744 4.242 -8.037 1.00 0.00 H new ATOM 817 N LYS A 50 -3.587 5.303 -11.700 1.00 0.00 N ATOM 818 CA LYS A 50 -4.526 4.338 -12.251 1.00 0.00 C ATOM 819 C LYS A 50 -3.846 3.559 -13.371 1.00 0.00 C ATOM 820 O LYS A 50 -3.171 4.169 -14.198 1.00 0.00 O ATOM 821 CB LYS A 50 -5.784 5.067 -12.747 1.00 0.00 C ATOM 822 CG LYS A 50 -6.880 4.057 -13.110 1.00 0.00 C ATOM 823 CD LYS A 50 -8.081 4.723 -13.789 1.00 0.00 C ATOM 824 CE LYS A 50 -8.948 3.671 -14.499 1.00 0.00 C ATOM 825 NZ LYS A 50 -8.302 3.129 -15.727 1.00 0.00 N ATOM 0 H LYS A 50 -3.886 6.273 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.834 3.629 -11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.147 5.745 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.540 5.676 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.466 3.297 -13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.213 3.545 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.677 5.254 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.735 5.464 -14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.155 2.852 -13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.907 4.115 -14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.011 2.627 -16.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.900 3.911 -16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.544 2.470 -15.458 1.00 0.00 H new ATOM 976 N GLU A 59 -1.691 6.056 -15.589 1.00 0.00 N ATOM 977 CA GLU A 59 -2.403 7.286 -15.890 1.00 0.00 C ATOM 978 C GLU A 59 -2.639 7.940 -14.527 1.00 0.00 C ATOM 979 O GLU A 59 -3.493 7.508 -13.751 1.00 0.00 O ATOM 980 CB GLU A 59 -3.730 6.981 -16.615 1.00 0.00 C ATOM 981 CG GLU A 59 -3.564 6.648 -18.105 1.00 0.00 C ATOM 982 CD GLU A 59 -3.230 7.894 -18.948 1.00 0.00 C ATOM 983 OE1 GLU A 59 -4.159 8.642 -19.329 1.00 0.00 O ATOM 984 OE2 GLU A 59 -2.041 8.131 -19.258 1.00 0.00 O ATOM 0 HA GLU A 59 -1.845 7.942 -16.558 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.220 6.143 -16.118 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.392 7.841 -16.517 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.772 5.908 -18.224 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.482 6.195 -18.478 1.00 0.00 H new ATOM 991 N GLU A 60 -1.814 8.929 -14.189 1.00 0.00 N ATOM 992 CA GLU A 60 -1.930 9.660 -12.933 1.00 0.00 C ATOM 993 C GLU A 60 -3.215 10.498 -12.940 1.00 0.00 C ATOM 994 O GLU A 60 -3.507 11.186 -13.925 1.00 0.00 O ATOM 995 CB GLU A 60 -0.701 10.566 -12.748 1.00 0.00 C ATOM 996 CG GLU A 60 0.573 9.767 -12.444 1.00 0.00 C ATOM 997 CD GLU A 60 1.796 10.687 -12.291 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.873 11.430 -11.287 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.689 10.671 -13.169 1.00 0.00 O ATOM 0 H GLU A 60 -1.046 9.245 -14.781 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.976 8.955 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.549 11.157 -13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.889 11.268 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.433 9.192 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.754 9.051 -13.246 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.950 10.497 -11.824 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.108 11.353 -11.585 1.00 0.00 C ATOM 1008 C LYS A 61 -4.962 11.891 -10.168 1.00 0.00 C ATOM 1009 O LYS A 61 -4.738 11.114 -9.241 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.388 10.513 -11.745 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.679 11.342 -11.623 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.935 10.467 -11.466 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.128 9.393 -12.552 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.400 9.967 -13.897 1.00 0.00 N ATOM 0 H LYS A 61 -3.746 9.879 -11.039 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.169 12.182 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.372 10.020 -12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.396 9.728 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.597 12.010 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.787 11.970 -12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.896 9.975 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.811 11.115 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.234 8.771 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.954 8.741 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.521 9.197 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.268 10.539 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.602 10.567 -14.186 1.00 0.00 H new ATOM 1028 N THR A 62 -5.044 13.200 -9.980 1.00 0.00 N ATOM 1029 CA THR A 62 -4.889 13.815 -8.668 1.00 0.00 C ATOM 1030 C THR A 62 -6.232 13.730 -7.939 1.00 0.00 C ATOM 1031 O THR A 62 -7.253 14.161 -8.479 1.00 0.00 O ATOM 1032 CB THR A 62 -4.384 15.252 -8.867 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.326 15.260 -9.813 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.840 15.820 -7.561 1.00 0.00 C ATOM 0 H THR A 62 -5.220 13.866 -10.732 1.00 0.00 H new ATOM 0 HA THR A 62 -4.155 13.302 -8.047 1.00 0.00 H new ATOM 0 HB THR A 62 -5.223 15.856 -9.214 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.007 16.178 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.488 16.838 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.630 15.826 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.013 15.202 -7.212 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.256 13.170 -6.727 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.494 12.843 -6.035 1.00 0.00 C ATOM 1044 C VAL A 63 -7.384 13.178 -4.549 1.00 0.00 C ATOM 1045 O VAL A 63 -6.303 13.206 -3.962 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.875 11.354 -6.240 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -8.140 10.994 -7.709 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.833 10.367 -5.690 1.00 0.00 C ATOM 0 H VAL A 63 -5.414 12.932 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.290 13.450 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.797 11.251 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.401 9.938 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.963 11.599 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.244 11.188 -8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.169 9.346 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.879 10.529 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.712 10.526 -4.618 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.530 13.426 -3.935 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.679 13.541 -2.497 1.00 0.00 C ATOM 1060 C GLU A 64 -9.312 12.219 -2.075 1.00 0.00 C ATOM 1061 O GLU A 64 -10.385 11.872 -2.570 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.544 14.763 -2.146 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.658 14.931 -0.624 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.362 16.248 -0.251 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.612 16.288 -0.198 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.669 17.257 0.013 1.00 0.00 O ATOM 0 H GLU A 64 -9.406 13.556 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.737 13.704 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.108 15.661 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.538 14.647 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.211 14.091 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.663 14.911 -0.180 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.632 11.444 -1.234 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.186 10.220 -0.676 1.00 0.00 C ATOM 1075 C VAL A 65 -10.076 10.624 0.492 1.00 0.00 C ATOM 1076 O VAL A 65 -9.669 11.426 1.338 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.112 9.168 -0.298 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -6.932 9.140 -1.288 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.574 9.214 1.136 1.00 0.00 C ATOM 0 H VAL A 65 -7.683 11.649 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.776 9.704 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.682 8.241 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.211 8.385 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.299 8.898 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.449 10.117 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.831 8.428 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.113 10.184 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.394 9.062 1.837 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.284 10.070 0.550 1.00 0.00 N ATOM 1090 CA LEU A 66 -12.230 10.353 1.620 1.00 0.00 C ATOM 1091 C LEU A 66 -12.029 9.372 2.773 1.00 0.00 C ATOM 1092 O LEU A 66 -12.328 9.708 3.919 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.680 10.308 1.102 1.00 0.00 C ATOM 1094 CG LEU A 66 -14.060 11.342 0.018 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.501 12.744 0.300 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.637 10.910 -1.392 1.00 0.00 C ATOM 0 H LEU A 66 -11.633 9.411 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.044 11.362 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.868 9.311 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.350 10.443 1.951 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.148 11.388 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.803 13.423 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.890 13.106 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.413 12.699 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.930 11.675 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.555 10.778 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.124 9.969 -1.646 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.498 8.179 2.491 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.210 7.154 3.466 1.00 0.00 C ATOM 1110 C GLY A 67 -11.175 5.800 2.784 1.00 0.00 C ATOM 1111 O GLY A 67 -11.425 5.692 1.580 1.00 0.00 O ATOM 0 H GLY A 67 -11.253 7.903 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.253 7.355 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.968 7.159 4.249 1.00 0.00 H new ATOM 1115 N MET A 68 -10.847 4.765 3.550 1.00 0.00 N ATOM 1116 CA MET A 68 -10.989 3.391 3.080 1.00 0.00 C ATOM 1117 C MET A 68 -12.463 3.112 2.787 1.00 0.00 C ATOM 1118 O MET A 68 -13.355 3.652 3.451 1.00 0.00 O ATOM 1119 CB MET A 68 -10.404 2.377 4.071 1.00 0.00 C ATOM 1120 CG MET A 68 -8.875 2.479 4.131 1.00 0.00 C ATOM 1121 SD MET A 68 -8.073 1.165 5.088 1.00 0.00 S ATOM 1122 CE MET A 68 -7.986 -0.145 3.837 1.00 0.00 C ATOM 0 H MET A 68 -10.481 4.851 4.498 1.00 0.00 H new ATOM 0 HA MET A 68 -10.414 3.275 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.822 2.551 5.063 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.693 1.368 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.482 2.463 3.114 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.604 3.443 4.562 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.515 -1.029 4.268 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.993 -0.396 3.503 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.398 0.202 2.987 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.709 2.270 1.783 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.048 1.806 1.445 1.00 0.00 C ATOM 1134 C ALA A 69 -14.661 1.036 2.633 1.00 0.00 C ATOM 1135 O ALA A 69 -13.911 0.553 3.488 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.968 0.922 0.196 1.00 0.00 C ATOM 0 H ALA A 69 -11.979 1.891 1.180 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.694 2.658 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.966 0.570 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.559 1.500 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.322 0.067 0.396 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.998 0.886 2.691 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.666 0.055 3.686 1.00 0.00 C ATOM 1144 C PRO A 70 -16.076 -1.355 3.777 1.00 0.00 C ATOM 1145 O PRO A 70 -15.533 -1.885 2.802 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.139 0.007 3.265 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.330 1.315 2.503 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.981 1.503 1.812 1.00 0.00 C ATOM 0 HA PRO A 70 -16.535 0.479 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.350 -0.859 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.802 -0.056 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.147 1.249 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.561 2.144 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.976 1.033 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.762 2.560 1.661 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.271 -2.003 4.927 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.845 -3.383 5.166 1.00 0.00 C ATOM 1158 C ASP A 71 -16.430 -4.353 4.135 1.00 0.00 C ATOM 1159 O ASP A 71 -15.794 -5.351 3.814 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.198 -3.836 6.591 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.654 -4.314 6.732 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.570 -3.461 6.740 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.889 -5.534 6.876 1.00 0.00 O ATOM 0 H ASP A 71 -16.736 -1.578 5.729 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.761 -3.400 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.527 -4.643 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.025 -3.010 7.281 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.594 -4.033 3.560 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.246 -4.833 2.522 1.00 0.00 C ATOM 1170 C ASP A 72 -17.377 -4.977 1.267 1.00 0.00 C ATOM 1171 O ASP A 72 -17.455 -5.990 0.572 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.590 -4.199 2.151 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.310 -5.007 1.058 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.799 -6.123 1.349 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.439 -4.511 -0.083 1.00 0.00 O ATOM 0 H ASP A 72 -18.118 -3.194 3.809 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.401 -5.833 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.222 -4.139 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.429 -3.178 1.804 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.514 -3.992 1.001 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.577 -4.006 -0.117 1.00 0.00 C ATOM 1182 C GLU A 73 -14.177 -4.353 0.390 1.00 0.00 C ATOM 1183 O GLU A 73 -13.469 -5.123 -0.263 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.591 -2.653 -0.846 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.947 -2.392 -1.519 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.919 -1.137 -2.409 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.545 -1.243 -3.600 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.315 -0.046 -1.942 1.00 0.00 O ATOM 0 H GLU A 73 -16.449 -3.148 1.570 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.881 -4.768 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.375 -1.854 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.801 -2.635 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.225 -3.257 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.715 -2.276 -0.754 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.795 -3.888 1.586 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.500 -4.222 2.178 1.00 0.00 C ATOM 1197 C CYS A 74 -12.371 -5.690 2.615 1.00 0.00 C ATOM 1198 O CYS A 74 -11.323 -6.093 3.115 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.109 -3.228 3.275 1.00 0.00 C ATOM 1200 SG CYS A 74 -11.777 -1.606 2.523 1.00 0.00 S ATOM 0 H CYS A 74 -14.371 -3.276 2.164 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.767 -4.118 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.911 -3.145 4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.226 -3.583 3.806 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.663 -0.748 2.933 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.414 -6.494 2.416 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.402 -7.949 2.558 1.00 0.00 C ATOM 1208 C LEU A 75 -12.778 -8.605 1.324 1.00 0.00 C ATOM 1209 O LEU A 75 -12.377 -9.766 1.394 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.845 -8.470 2.714 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.316 -8.552 4.176 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.840 -8.686 4.210 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.675 -9.740 4.906 1.00 0.00 C ATOM 0 H LEU A 75 -14.328 -6.135 2.140 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.813 -8.200 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.520 -7.818 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.916 -9.459 2.262 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.009 -7.639 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.177 -8.744 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.292 -7.819 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.138 -9.591 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.030 -9.768 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.949 -10.667 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.591 -9.630 4.898 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.720 -7.891 0.195 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.307 -8.441 -1.090 1.00 0.00 C ATOM 1227 C LYS A 76 -10.902 -7.961 -1.420 1.00 0.00 C ATOM 1228 O LYS A 76 -10.076 -8.772 -1.838 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.303 -8.035 -2.189 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.720 -8.568 -1.907 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.727 -8.201 -3.005 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.433 -8.928 -4.326 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.444 -8.625 -5.370 1.00 0.00 N ATOM 0 H LYS A 76 -12.963 -6.901 0.153 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.299 -9.529 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.333 -6.948 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.957 -8.415 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.681 -9.653 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.069 -8.171 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.734 -8.451 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.704 -7.124 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.445 -8.640 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.407 -10.003 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.205 -9.137 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.384 -8.923 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.452 -7.602 -5.559 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.613 -6.676 -1.203 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.284 -6.089 -1.400 1.00 0.00 C ATOM 1249 C ASP A 77 -9.239 -4.733 -0.696 1.00 0.00 C ATOM 1250 O ASP A 77 -10.284 -4.197 -0.335 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.978 -5.915 -2.900 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.519 -5.512 -3.177 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.635 -5.804 -2.341 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.259 -4.945 -4.261 1.00 0.00 O ATOM 0 H ASP A 77 -11.307 -6.002 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.531 -6.755 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.195 -6.848 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.643 -5.157 -3.315 1.00 0.00 H new ATOM 1259 N MET A 78 -8.057 -4.162 -0.482 1.00 0.00 N ATOM 1260 CA MET A 78 -7.900 -2.873 0.179 1.00 0.00 C ATOM 1261 C MET A 78 -8.297 -1.772 -0.809 1.00 0.00 C ATOM 1262 O MET A 78 -7.612 -1.554 -1.812 1.00 0.00 O ATOM 1263 CB MET A 78 -6.448 -2.714 0.654 1.00 0.00 C ATOM 1264 CG MET A 78 -6.126 -3.452 1.963 1.00 0.00 C ATOM 1265 SD MET A 78 -6.541 -5.219 2.105 1.00 0.00 S ATOM 1266 CE MET A 78 -8.155 -5.154 2.927 1.00 0.00 C ATOM 0 H MET A 78 -7.174 -4.586 -0.766 1.00 0.00 H new ATOM 0 HA MET A 78 -8.543 -2.804 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.781 -3.077 -0.128 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.236 -1.653 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.056 -3.350 2.144 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.637 -2.928 2.771 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.398 -6.137 3.330 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.121 -4.427 3.739 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.918 -4.858 2.207 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.382 -1.053 -0.509 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.958 -0.026 -1.372 1.00 0.00 C ATOM 1278 C TYR A 79 -10.123 1.275 -0.593 1.00 0.00 C ATOM 1279 O TYR A 79 -10.231 1.275 0.635 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.336 -0.482 -1.888 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.365 -1.575 -2.940 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.978 -1.292 -4.263 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.884 -2.845 -2.623 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.094 -2.274 -5.262 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.004 -3.834 -3.614 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.603 -3.554 -4.941 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.709 -4.499 -5.919 1.00 0.00 O ATOM 0 H TYR A 79 -9.895 -1.175 0.364 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.288 0.135 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.919 -0.823 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.848 0.390 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.590 -0.315 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.192 -3.061 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.794 -2.051 -6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.402 -4.806 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.075 -5.325 -5.538 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.199 2.381 -1.327 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.334 3.734 -0.817 1.00 0.00 C ATOM 1299 C VAL A 80 -11.305 4.473 -1.730 1.00 0.00 C ATOM 1300 O VAL A 80 -11.276 4.299 -2.949 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.959 4.440 -0.739 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.197 4.050 0.532 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.050 4.164 -1.949 1.00 0.00 C ATOM 0 H VAL A 80 -10.166 2.352 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.723 3.723 0.201 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.198 5.504 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.236 4.565 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.780 4.335 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.032 2.973 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.105 4.692 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.860 3.093 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.540 4.511 -2.859 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.182 5.273 -1.136 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.073 6.164 -1.863 1.00 0.00 C ATOM 1315 C GLU A 81 -12.275 7.426 -2.177 1.00 0.00 C ATOM 1316 O GLU A 81 -11.567 7.934 -1.302 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.308 6.500 -1.015 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.204 5.273 -0.798 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.484 5.644 -0.027 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.460 5.675 1.224 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.532 5.892 -0.665 1.00 0.00 O ATOM 0 H GLU A 81 -12.295 5.321 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.431 5.695 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.989 6.892 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.882 7.287 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.470 4.840 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.653 4.511 -0.247 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.377 7.938 -3.403 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.544 9.037 -3.881 1.00 0.00 C ATOM 1330 C VAL A 82 -12.386 9.960 -4.764 1.00 0.00 C ATOM 1331 O VAL A 82 -13.273 9.487 -5.471 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.280 8.501 -4.604 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.467 7.502 -3.764 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.556 7.835 -5.962 1.00 0.00 C ATOM 0 H VAL A 82 -13.045 7.599 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.182 9.622 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.704 9.413 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.599 7.170 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.135 7.985 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.090 6.642 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.617 7.490 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.224 6.986 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.022 8.556 -6.633 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.110 11.263 -4.760 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.792 12.253 -5.583 1.00 0.00 C ATOM 1346 C ALA A 83 -11.733 13.023 -6.363 1.00 0.00 C ATOM 1347 O ALA A 83 -10.658 13.314 -5.838 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.625 13.190 -4.704 1.00 0.00 C ATOM 0 H ALA A 83 -11.385 11.668 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.478 11.768 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.129 13.925 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.368 12.610 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.972 13.703 -3.998 1.00 0.00 H new ATOM 1354 N ASP A 84 -12.020 13.317 -7.628 1.00 0.00 N ATOM 1355 CA ASP A 84 -11.063 13.945 -8.536 1.00 0.00 C ATOM 1356 C ASP A 84 -10.854 15.414 -8.178 1.00 0.00 C ATOM 1357 O ASP A 84 -11.812 16.185 -8.147 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.573 13.839 -9.976 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.707 14.668 -10.930 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.468 14.518 -10.908 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.276 15.497 -11.670 1.00 0.00 O ATOM 0 H ASP A 84 -12.927 13.126 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.109 13.426 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.569 12.795 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.606 14.183 -10.026 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.604 15.815 -7.938 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.251 17.210 -7.675 1.00 0.00 C ATOM 1368 C ILE A 85 -9.143 17.975 -9.011 1.00 0.00 C ATOM 1369 O ILE A 85 -9.308 19.196 -9.025 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.964 17.274 -6.810 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.185 16.565 -5.450 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.511 18.715 -6.519 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.930 16.475 -4.571 1.00 0.00 C ATOM 0 H ILE A 85 -8.807 15.179 -7.921 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.031 17.704 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.190 16.774 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.962 17.095 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.557 15.557 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.607 18.696 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.306 19.229 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.299 19.243 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.174 15.965 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.156 15.917 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.567 17.479 -4.351 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.551 10.990 -6.977 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.628 10.171 -6.210 1.00 0.00 C ATOM 1459 C VAL A 92 -16.530 8.785 -6.856 1.00 0.00 C ATOM 1460 O VAL A 92 -17.425 8.340 -7.582 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.110 10.154 -4.741 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -18.471 9.464 -4.545 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.094 9.562 -3.756 1.00 0.00 C ATOM 0 HA VAL A 92 -15.615 10.574 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.225 11.213 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -18.744 9.491 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -19.230 9.984 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.405 8.428 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.508 9.586 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.876 8.531 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.175 10.148 -3.785 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.417 8.118 -6.579 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.963 6.890 -7.203 1.00 0.00 C ATOM 1475 C TYR A 93 -14.360 6.003 -6.112 1.00 0.00 C ATOM 1476 O TYR A 93 -14.259 6.407 -4.950 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.910 7.235 -8.278 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.326 8.318 -9.260 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.068 7.984 -10.409 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.002 9.666 -9.002 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -15.492 8.991 -11.294 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.435 10.681 -9.875 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.184 10.344 -11.027 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.609 11.312 -11.885 1.00 0.00 O ATOM 0 H TYR A 93 -14.767 8.446 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.786 6.361 -7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.993 7.550 -7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.674 6.330 -8.837 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.312 6.952 -10.611 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.418 9.921 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.054 8.730 -12.179 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.196 11.713 -9.666 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.317 12.189 -11.559 1.00 0.00 H new ATOM 1494 N THR A 94 -13.906 4.816 -6.502 1.00 0.00 N ATOM 1495 CA THR A 94 -13.169 3.913 -5.630 1.00 0.00 C ATOM 1496 C THR A 94 -11.900 3.496 -6.372 1.00 0.00 C ATOM 1497 O THR A 94 -11.937 3.245 -7.580 1.00 0.00 O ATOM 1498 CB THR A 94 -14.048 2.715 -5.213 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.368 3.126 -4.892 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.481 1.994 -3.986 1.00 0.00 C ATOM 0 H THR A 94 -14.042 4.451 -7.445 1.00 0.00 H new ATOM 0 HA THR A 94 -12.888 4.404 -4.698 1.00 0.00 H new ATOM 0 HB THR A 94 -14.059 2.041 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.900 2.345 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.128 1.157 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.481 1.623 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.429 2.689 -3.148 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.790 3.422 -5.642 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.490 2.996 -6.128 1.00 0.00 C ATOM 1510 C ALA A 95 -8.962 1.942 -5.161 1.00 0.00 C ATOM 1511 O ALA A 95 -9.355 1.908 -3.993 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.548 4.206 -6.194 1.00 0.00 C ATOM 0 H ALA A 95 -10.777 3.669 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.560 2.573 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.572 3.887 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.962 4.953 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.440 4.638 -5.199 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.069 1.072 -5.630 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.351 0.176 -4.739 1.00 0.00 C ATOM 1520 C LYS A 96 -6.321 1.027 -4.015 1.00 0.00 C ATOM 1521 O LYS A 96 -5.694 1.891 -4.632 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.670 -0.953 -5.527 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.674 -1.796 -6.329 1.00 0.00 C ATOM 1524 CD LYS A 96 -6.992 -2.822 -7.241 1.00 0.00 C ATOM 1525 CE LYS A 96 -6.234 -2.170 -8.409 1.00 0.00 C ATOM 1526 NZ LYS A 96 -5.657 -3.180 -9.333 1.00 0.00 N ATOM 0 H LYS A 96 -7.830 0.972 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.031 -0.303 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.934 -0.525 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.128 -1.599 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.339 -2.315 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.295 -1.135 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.297 -3.420 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.743 -3.505 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.911 -1.519 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.436 -1.540 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.155 -2.697 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.991 -3.786 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.421 -3.765 -9.729 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.076 0.742 -2.739 1.00 0.00 N ATOM 1541 CA LEU A 97 -4.952 1.334 -2.010 1.00 0.00 C ATOM 1542 C LEU A 97 -3.642 0.995 -2.741 1.00 0.00 C ATOM 1543 O LEU A 97 -2.711 1.796 -2.770 1.00 0.00 O ATOM 1544 CB LEU A 97 -4.934 0.805 -0.565 1.00 0.00 C ATOM 1545 CG LEU A 97 -3.914 1.518 0.347 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.290 2.988 0.575 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -3.856 0.808 1.702 1.00 0.00 C ATOM 0 H LEU A 97 -6.643 0.101 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.060 2.418 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.930 0.914 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.709 -0.261 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.943 1.482 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.549 3.457 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.318 3.509 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.271 3.044 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.135 1.312 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.841 0.834 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.551 -0.228 1.557 1.00 0.00 H new ATOM 1559 N SER A 98 -3.616 -0.167 -3.399 1.00 0.00 N ATOM 1560 CA SER A 98 -2.543 -0.668 -4.248 1.00 0.00 C ATOM 1561 C SER A 98 -2.231 0.240 -5.449 1.00 0.00 C ATOM 1562 O SER A 98 -1.179 0.088 -6.070 1.00 0.00 O ATOM 1563 CB SER A 98 -2.979 -2.048 -4.761 1.00 0.00 C ATOM 1564 OG SER A 98 -3.686 -2.764 -3.756 1.00 0.00 O ATOM 0 H SER A 98 -4.396 -0.822 -3.346 1.00 0.00 H new ATOM 0 HA SER A 98 -1.630 -0.708 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.611 -1.930 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.103 -2.618 -5.071 1.00 0.00 H new ATOM 0 HG SER A 98 -3.955 -3.639 -4.106 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.135 1.161 -5.799 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.071 1.987 -7.004 1.00 0.00 C ATOM 1572 C ASP A 99 -2.855 3.457 -6.632 1.00 0.00 C ATOM 1573 O ASP A 99 -2.903 4.330 -7.495 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.391 1.811 -7.783 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.243 1.579 -9.293 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.240 0.982 -9.744 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -5.222 1.882 -10.010 1.00 0.00 O ATOM 0 H ASP A 99 -3.959 1.357 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.232 1.676 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.935 0.969 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.005 2.698 -7.628 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.640 3.750 -5.348 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.606 5.094 -4.787 1.00 0.00 C ATOM 1584 C ILE A 100 -1.210 5.346 -4.233 1.00 0.00 C ATOM 1585 O ILE A 100 -0.540 4.450 -3.715 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.737 5.231 -3.731 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.056 5.577 -4.455 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.462 6.200 -2.561 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.371 7.063 -4.632 1.00 0.00 C ATOM 0 H ILE A 100 -2.479 3.027 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.795 5.859 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.803 4.263 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.035 5.113 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.877 5.118 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.321 6.213 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.579 5.869 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.292 7.203 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.322 7.174 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.436 7.540 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.580 7.536 -5.215 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.812 6.608 -4.318 1.00 0.00 N ATOM 1602 CA GLU A 101 0.403 7.139 -3.722 1.00 0.00 C ATOM 1603 C GLU A 101 -0.005 8.437 -3.028 1.00 0.00 C ATOM 1604 O GLU A 101 -0.460 9.373 -3.685 1.00 0.00 O ATOM 1605 CB GLU A 101 1.457 7.337 -4.823 1.00 0.00 C ATOM 1606 CG GLU A 101 2.819 7.775 -4.270 1.00 0.00 C ATOM 1607 CD GLU A 101 3.852 7.973 -5.396 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.216 6.987 -6.077 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.323 9.116 -5.596 1.00 0.00 O ATOM 0 H GLU A 101 -1.347 7.315 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 101 0.857 6.471 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.577 6.406 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.100 8.085 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.704 8.705 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.185 7.026 -3.568 1.00 0.00 H new ATOM 1616 N ALA A 102 0.067 8.478 -1.695 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.377 9.642 -0.939 1.00 0.00 C ATOM 1618 C ALA A 102 0.564 10.826 -1.161 1.00 0.00 C ATOM 1619 O ALA A 102 1.749 10.662 -1.462 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.456 9.316 0.551 1.00 0.00 C ATOM 0 H ALA A 102 0.429 7.717 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.371 9.914 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.789 10.197 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.163 8.502 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.528 9.016 0.910 1.00 0.00 H new ATOM 1626 N ILE A 103 0.024 12.023 -0.945 1.00 0.00 N ATOM 1627 CA ILE A 103 0.721 13.293 -1.094 1.00 0.00 C ATOM 1628 C ILE A 103 0.606 14.030 0.245 1.00 0.00 C ATOM 1629 O ILE A 103 -0.487 14.176 0.794 1.00 0.00 O ATOM 1630 CB ILE A 103 0.113 14.086 -2.278 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.307 13.345 -3.625 1.00 0.00 C ATOM 1632 CG2 ILE A 103 0.725 15.494 -2.379 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.534 13.923 -4.770 1.00 0.00 C ATOM 0 H ILE A 103 -0.946 12.137 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 103 1.777 13.158 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.955 14.173 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.360 13.384 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.051 12.294 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.278 16.026 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.530 16.042 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.801 15.413 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.347 13.355 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.591 13.859 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.262 14.966 -4.931 1.00 0.00 H new ATOM 1645 N ASP A 104 1.748 14.527 0.735 1.00 0.00 N ATOM 1646 CA ASP A 104 1.873 15.379 1.924 1.00 0.00 C ATOM 1647 C ASP A 104 1.170 14.815 3.175 1.00 0.00 C ATOM 1648 O ASP A 104 0.586 15.554 3.972 1.00 0.00 O ATOM 1649 CB ASP A 104 1.468 16.823 1.576 1.00 0.00 C ATOM 1650 CG ASP A 104 1.812 17.826 2.693 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.951 17.804 3.214 1.00 0.00 O ATOM 1652 OD2 ASP A 104 0.968 18.695 3.013 1.00 0.00 O ATOM 0 H ASP A 104 2.649 14.338 0.295 1.00 0.00 H new ATOM 0 HA ASP A 104 2.923 15.390 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.970 17.124 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.396 16.858 1.381 1.00 0.00 H new ATOM 1657 N VAL A 105 1.203 13.488 3.348 1.00 0.00 N ATOM 1658 CA VAL A 105 0.722 12.828 4.565 1.00 0.00 C ATOM 1659 C VAL A 105 1.845 12.740 5.607 1.00 0.00 C ATOM 1660 O VAL A 105 3.004 13.062 5.323 1.00 0.00 O ATOM 1661 CB VAL A 105 0.122 11.443 4.247 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -1.156 11.596 3.421 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.111 10.476 3.578 1.00 0.00 C ATOM 0 H VAL A 105 1.565 12.842 2.646 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.079 13.431 4.992 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.123 10.984 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.569 10.611 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.885 12.179 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.926 12.107 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.616 9.524 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.456 10.902 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.964 10.314 4.237 1.00 0.00 H new ATOM 1673 N ASP A 106 1.502 12.290 6.817 1.00 0.00 N ATOM 1674 CA ASP A 106 2.484 11.955 7.844 1.00 0.00 C ATOM 1675 C ASP A 106 3.024 10.541 7.601 1.00 0.00 C ATOM 1676 O ASP A 106 2.502 9.769 6.788 1.00 0.00 O ATOM 1677 CB ASP A 106 1.863 12.074 9.245 1.00 0.00 C ATOM 1678 CG ASP A 106 2.882 12.049 10.400 1.00 0.00 C ATOM 1679 OD1 ASP A 106 4.078 12.345 10.183 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.484 11.747 11.547 1.00 0.00 O ATOM 0 H ASP A 106 0.535 12.149 7.109 1.00 0.00 H new ATOM 0 HA ASP A 106 3.314 12.660 7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.295 13.002 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 106 1.154 11.258 9.385 1.00 0.00 H new ATOM 1685 N ASP A 107 4.084 10.212 8.329 1.00 0.00 N ATOM 1686 CA ASP A 107 4.873 8.993 8.178 1.00 0.00 C ATOM 1687 C ASP A 107 4.037 7.736 8.397 1.00 0.00 C ATOM 1688 O ASP A 107 4.227 6.757 7.682 1.00 0.00 O ATOM 1689 CB ASP A 107 6.042 9.022 9.167 1.00 0.00 C ATOM 1690 CG ASP A 107 6.887 7.740 9.080 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.650 7.584 8.100 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.843 6.920 10.024 1.00 0.00 O ATOM 0 H ASP A 107 4.434 10.814 9.075 1.00 0.00 H new ATOM 0 HA ASP A 107 5.246 8.959 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.671 9.888 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.659 9.138 10.181 1.00 0.00 H new ATOM 1697 N ASP A 108 3.088 7.764 9.339 1.00 0.00 N ATOM 1698 CA ASP A 108 2.217 6.627 9.628 1.00 0.00 C ATOM 1699 C ASP A 108 1.389 6.238 8.402 1.00 0.00 C ATOM 1700 O ASP A 108 1.414 5.087 7.965 1.00 0.00 O ATOM 1701 CB ASP A 108 1.346 6.872 10.880 1.00 0.00 C ATOM 1702 CG ASP A 108 0.341 8.052 10.877 1.00 0.00 C ATOM 1703 OD1 ASP A 108 0.189 8.786 9.872 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -0.260 8.286 11.952 1.00 0.00 O ATOM 0 H ASP A 108 2.904 8.580 9.923 1.00 0.00 H new ATOM 0 HA ASP A 108 2.853 5.774 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.782 5.960 11.072 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.018 7.015 11.726 1.00 0.00 H new ATOM 1709 N THR A 109 0.723 7.204 7.788 1.00 0.00 N ATOM 1710 CA THR A 109 -0.152 7.005 6.657 1.00 0.00 C ATOM 1711 C THR A 109 0.690 6.523 5.475 1.00 0.00 C ATOM 1712 O THR A 109 0.325 5.546 4.818 1.00 0.00 O ATOM 1713 CB THR A 109 -0.889 8.340 6.444 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.625 8.669 7.613 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.881 8.331 5.281 1.00 0.00 C ATOM 0 H THR A 109 0.783 8.180 8.078 1.00 0.00 H new ATOM 0 HA THR A 109 -0.910 6.234 6.800 1.00 0.00 H new ATOM 0 HB THR A 109 -0.109 9.066 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.005 8.865 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.356 9.309 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.353 8.107 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.642 7.571 5.458 1.00 0.00 H new ATOM 1723 N GLN A 110 1.858 7.133 5.253 1.00 0.00 N ATOM 1724 CA GLN A 110 2.741 6.718 4.182 1.00 0.00 C ATOM 1725 C GLN A 110 3.284 5.300 4.407 1.00 0.00 C ATOM 1726 O GLN A 110 3.445 4.568 3.430 1.00 0.00 O ATOM 1727 CB GLN A 110 3.853 7.761 4.021 1.00 0.00 C ATOM 1728 CG GLN A 110 4.723 7.549 2.779 1.00 0.00 C ATOM 1729 CD GLN A 110 3.937 7.456 1.468 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.662 8.457 0.814 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.565 6.253 1.055 1.00 0.00 N ATOM 0 H GLN A 110 2.206 7.916 5.807 1.00 0.00 H new ATOM 0 HA GLN A 110 2.180 6.667 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.404 8.753 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.489 7.741 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.436 8.370 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.303 6.635 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.800 5.429 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.044 6.151 0.184 1.00 0.00 H new ATOM 1740 N GLU A 111 3.542 4.886 5.648 1.00 0.00 N ATOM 1741 CA GLU A 111 4.021 3.543 5.959 1.00 0.00 C ATOM 1742 C GLU A 111 2.939 2.498 5.729 1.00 0.00 C ATOM 1743 O GLU A 111 3.243 1.429 5.206 1.00 0.00 O ATOM 1744 CB GLU A 111 4.518 3.461 7.411 1.00 0.00 C ATOM 1745 CG GLU A 111 5.983 3.897 7.525 1.00 0.00 C ATOM 1746 CD GLU A 111 6.988 2.820 7.059 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.622 1.855 6.352 1.00 0.00 O ATOM 1748 OE2 GLU A 111 8.181 2.898 7.429 1.00 0.00 O ATOM 0 H GLU A 111 3.423 5.479 6.470 1.00 0.00 H new ATOM 0 HA GLU A 111 4.852 3.334 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.898 4.094 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.411 2.440 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.131 4.800 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.196 4.156 8.562 1.00 0.00 H new ATOM 1755 N ALA A 112 1.681 2.796 6.061 1.00 0.00 N ATOM 1756 CA ALA A 112 0.575 1.883 5.781 1.00 0.00 C ATOM 1757 C ALA A 112 0.506 1.580 4.281 1.00 0.00 C ATOM 1758 O ALA A 112 0.352 0.427 3.880 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.741 2.497 6.259 1.00 0.00 C ATOM 0 H ALA A 112 1.405 3.662 6.524 1.00 0.00 H new ATOM 0 HA ALA A 112 0.743 0.949 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.561 1.811 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.689 2.679 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.913 3.439 5.739 1.00 0.00 H new ATOM 1765 N ILE A 113 0.649 2.622 3.461 1.00 0.00 N ATOM 1766 CA ILE A 113 0.611 2.525 2.008 1.00 0.00 C ATOM 1767 C ILE A 113 1.840 1.749 1.524 1.00 0.00 C ATOM 1768 O ILE A 113 1.703 0.771 0.792 1.00 0.00 O ATOM 1769 CB ILE A 113 0.537 3.954 1.430 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.807 4.612 1.812 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.735 3.982 -0.095 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.730 6.137 1.818 1.00 0.00 C ATOM 0 H ILE A 113 0.797 3.573 3.798 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.267 1.978 1.663 1.00 0.00 H new ATOM 0 HB ILE A 113 1.357 4.524 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.577 4.293 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.111 4.263 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.674 5.010 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.713 3.570 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.042 3.386 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.701 6.549 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.019 6.461 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.453 6.491 0.825 1.00 0.00 H new ATOM 1784 N ALA A 114 3.038 2.171 1.934 1.00 0.00 N ATOM 1785 CA ALA A 114 4.286 1.584 1.471 1.00 0.00 C ATOM 1786 C ALA A 114 4.358 0.104 1.843 1.00 0.00 C ATOM 1787 O ALA A 114 4.678 -0.725 0.997 1.00 0.00 O ATOM 1788 CB ALA A 114 5.470 2.355 2.060 1.00 0.00 C ATOM 0 H ALA A 114 3.165 2.933 2.600 1.00 0.00 H new ATOM 0 HA ALA A 114 4.329 1.655 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.403 1.912 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.421 3.396 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.431 2.307 3.148 1.00 0.00 H new ATOM 1794 N ASP A 115 4.016 -0.251 3.082 1.00 0.00 N ATOM 1795 CA ASP A 115 4.101 -1.633 3.536 1.00 0.00 C ATOM 1796 C ASP A 115 3.047 -2.511 2.866 1.00 0.00 C ATOM 1797 O ASP A 115 3.313 -3.675 2.560 1.00 0.00 O ATOM 1798 CB ASP A 115 3.998 -1.729 5.057 1.00 0.00 C ATOM 1799 CG ASP A 115 4.585 -3.068 5.497 1.00 0.00 C ATOM 1800 OD1 ASP A 115 3.853 -4.078 5.551 1.00 0.00 O ATOM 1801 OD2 ASP A 115 5.817 -3.114 5.723 1.00 0.00 O ATOM 0 H ASP A 115 3.677 0.403 3.788 1.00 0.00 H new ATOM 0 HA ASP A 115 5.082 -2.006 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.537 -0.906 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.958 -1.649 5.372 1.00 0.00 H new ATOM 1806 N TRP A 116 1.875 -1.944 2.560 1.00 0.00 N ATOM 1807 CA TRP A 116 0.875 -2.627 1.751 1.00 0.00 C ATOM 1808 C TRP A 116 1.429 -2.902 0.350 1.00 0.00 C ATOM 1809 O TRP A 116 1.233 -3.994 -0.175 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.434 -1.825 1.688 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.460 -2.427 0.778 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -1.847 -1.925 -0.417 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.150 -3.708 0.913 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.704 -2.810 -1.037 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -2.897 -3.945 -0.280 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.189 -4.711 1.906 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.611 -5.133 -0.492 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -2.926 -5.895 1.714 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.620 -6.116 0.511 1.00 0.00 C ATOM 0 H TRP A 116 1.600 -1.010 2.865 1.00 0.00 H new ATOM 0 HA TRP A 116 0.644 -3.582 2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.851 -1.747 2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.214 -0.811 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.533 -0.975 -0.824 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.141 -2.645 -1.944 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.645 -4.568 2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.148 -5.290 -1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.959 -6.639 2.496 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.159 -7.040 0.359 1.00 0.00 H new ATOM 1830 N LEU A 117 2.162 -1.959 -0.250 1.00 0.00 N ATOM 1831 CA LEU A 117 2.796 -2.171 -1.549 1.00 0.00 C ATOM 1832 C LEU A 117 3.904 -3.227 -1.451 1.00 0.00 C ATOM 1833 O LEU A 117 4.069 -4.006 -2.389 1.00 0.00 O ATOM 1834 CB LEU A 117 3.325 -0.847 -2.127 1.00 0.00 C ATOM 1835 CG LEU A 117 2.212 0.149 -2.518 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.813 1.536 -2.771 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.439 -0.308 -3.761 1.00 0.00 C ATOM 0 H LEU A 117 2.330 -1.036 0.149 1.00 0.00 H new ATOM 0 HA LEU A 117 2.041 -2.550 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.980 -0.377 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.933 -1.062 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 117 1.510 0.193 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.020 2.231 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.307 1.889 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.540 1.475 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.667 0.423 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.125 -0.398 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.975 -1.275 -3.566 1.00 0.00 H new ATOM 1849 N TYR A 118 4.632 -3.316 -0.331 1.00 0.00 N ATOM 1850 CA TYR A 118 5.615 -4.381 -0.123 1.00 0.00 C ATOM 1851 C TYR A 118 4.908 -5.739 -0.070 1.00 0.00 C ATOM 1852 O TYR A 118 5.342 -6.689 -0.717 1.00 0.00 O ATOM 1853 CB TYR A 118 6.431 -4.161 1.165 1.00 0.00 C ATOM 1854 CG TYR A 118 7.153 -2.832 1.343 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.472 -1.997 0.251 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.493 -2.422 2.647 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.067 -0.742 0.468 1.00 0.00 C ATOM 1858 CE2 TYR A 118 8.075 -1.165 2.873 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.362 -0.314 1.782 1.00 0.00 C ATOM 1860 OH TYR A 118 8.908 0.918 1.986 1.00 0.00 O ATOM 0 H TYR A 118 4.557 -2.660 0.446 1.00 0.00 H new ATOM 0 HA TYR A 118 6.310 -4.362 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.757 -4.289 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.175 -4.955 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.258 -2.324 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.304 -3.081 3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.299 -0.103 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 118 8.303 -0.848 3.880 1.00 0.00 H new ATOM 0 HH TYR A 118 9.048 1.059 2.946 1.00 0.00 H new ATOM 1870 N TRP A 119 3.792 -5.837 0.657 1.00 0.00 N ATOM 1871 CA TRP A 119 2.988 -7.046 0.725 1.00 0.00 C ATOM 1872 C TRP A 119 2.436 -7.408 -0.657 1.00 0.00 C ATOM 1873 O TRP A 119 2.453 -8.579 -1.043 1.00 0.00 O ATOM 1874 CB TRP A 119 1.865 -6.799 1.732 1.00 0.00 C ATOM 1875 CG TRP A 119 0.853 -7.878 1.863 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.347 -7.858 1.255 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.905 -9.124 2.621 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.087 -8.944 1.662 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.367 -9.762 2.512 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.892 -9.782 3.390 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.651 -10.976 3.161 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 1.615 -10.996 4.045 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.345 -11.590 3.939 1.00 0.00 C ATOM 0 H TRP A 119 3.423 -5.069 1.218 1.00 0.00 H new ATOM 0 HA TRP A 119 3.594 -7.892 1.049 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.314 -6.629 2.711 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.351 -5.879 1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.678 -7.105 0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.048 -9.123 1.372 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.876 -9.345 3.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.625 -11.432 3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.383 -11.475 4.633 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.136 -12.516 4.454 1.00 0.00 H new ATOM 1894 N LEU A 120 2.008 -6.405 -1.431 1.00 0.00 N ATOM 1895 CA LEU A 120 1.529 -6.584 -2.792 1.00 0.00 C ATOM 1896 C LEU A 120 2.627 -7.242 -3.637 1.00 0.00 C ATOM 1897 O LEU A 120 2.383 -8.254 -4.296 1.00 0.00 O ATOM 1898 CB LEU A 120 1.134 -5.218 -3.391 1.00 0.00 C ATOM 1899 CG LEU A 120 0.091 -5.344 -4.513 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.318 -5.311 -3.909 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.237 -4.192 -5.513 1.00 0.00 C ATOM 0 H LEU A 120 1.987 -5.434 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 120 0.650 -7.229 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.737 -4.580 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.025 -4.725 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 120 0.251 -6.288 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.057 -5.400 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.434 -6.140 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.466 -4.369 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.509 -4.297 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.090 -3.243 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.234 -4.216 -5.953 1.00 0.00 H new ATOM 1913 N ALA A 121 3.851 -6.701 -3.561 1.00 0.00 N ATOM 1914 CA ALA A 121 5.019 -7.194 -4.285 1.00 0.00 C ATOM 1915 C ALA A 121 5.399 -8.626 -3.887 1.00 0.00 C ATOM 1916 O ALA A 121 5.965 -9.357 -4.701 1.00 0.00 O ATOM 1917 CB ALA A 121 6.202 -6.244 -4.061 1.00 0.00 C ATOM 0 H ALA A 121 4.056 -5.889 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 121 4.762 -7.222 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 121 7.073 -6.614 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.944 -5.249 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.431 -6.193 -2.997 1.00 0.00 H new ATOM 1923 N ARG A 122 5.091 -9.042 -2.654 1.00 0.00 N ATOM 1924 CA ARG A 122 5.400 -10.384 -2.154 1.00 0.00 C ATOM 1925 C ARG A 122 4.431 -11.452 -2.673 1.00 0.00 C ATOM 1926 O ARG A 122 4.660 -12.634 -2.413 1.00 0.00 O ATOM 1927 CB ARG A 122 5.502 -10.358 -0.623 1.00 0.00 C ATOM 1928 CG ARG A 122 6.830 -9.697 -0.226 1.00 0.00 C ATOM 1929 CD ARG A 122 6.990 -9.568 1.285 1.00 0.00 C ATOM 1930 NE ARG A 122 7.131 -10.882 1.931 1.00 0.00 N ATOM 1931 CZ ARG A 122 8.281 -11.493 2.247 1.00 0.00 C ATOM 1932 NH1 ARG A 122 9.448 -11.030 1.820 1.00 0.00 N ATOM 1933 NH2 ARG A 122 8.247 -12.571 3.015 1.00 0.00 N ATOM 0 H ARG A 122 4.617 -8.452 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 122 6.371 -10.679 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.664 -9.806 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.451 -11.371 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.657 -10.282 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.890 -8.708 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.865 -8.957 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.126 -9.049 1.700 1.00 0.00 H new ATOM 0 HE ARG A 122 6.269 -11.376 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.483 -10.193 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.311 -11.511 2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.354 -12.925 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.114 -13.047 3.264 1.00 0.00 H new