USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 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 47 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.98 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.12) USER MOD Single : A 30 MET CE :methyl 141:sc= -0.471 (180deg=-2.4!) 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 75:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -172:sc= -0.301 (180deg=-0.445) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.14) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0.114 (180deg=0.0434) USER MOD Single : A 68 MET CE :methyl -175:sc= 0 (180deg=-0.0167) USER MOD Single : A 74 CYS SG : rot 78:sc= 0.264 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -145:sc= -0.147 (180deg=-0.306) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.0232 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+ 143:sc= 1.29 (180deg=0.0684) USER MOD Single : A 98 SER OG : rot 137:sc= 0.762 USER MOD Single : A 109 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 110 GLN : amide:sc= 0.419 K(o=0.42,f=-0.32) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.487 -7.786 12.476 1.00 0.00 N ATOM 281 CA ILE A 18 -2.505 -7.537 11.448 1.00 0.00 C ATOM 282 C ILE A 18 -3.321 -8.806 11.180 1.00 0.00 C ATOM 283 O ILE A 18 -4.546 -8.718 11.095 1.00 0.00 O ATOM 284 CB ILE A 18 -1.861 -6.931 10.172 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.958 -5.723 10.533 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.950 -6.514 9.169 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.405 -4.934 9.340 1.00 0.00 C ATOM 0 HA ILE A 18 -3.212 -6.791 11.812 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.236 -7.693 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.528 -5.041 11.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.119 -6.083 11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.483 -6.091 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.540 -7.387 8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.600 -5.768 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.212 -4.112 9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.198 -5.593 8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.232 -4.535 8.753 1.00 0.00 H new ATOM 299 N ILE A 19 -2.688 -9.984 11.106 1.00 0.00 N ATOM 300 CA ILE A 19 -3.356 -11.227 10.702 1.00 0.00 C ATOM 301 C ILE A 19 -3.127 -12.378 11.701 1.00 0.00 C ATOM 302 O ILE A 19 -3.264 -13.545 11.345 1.00 0.00 O ATOM 303 CB ILE A 19 -2.964 -11.577 9.258 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.440 -11.750 9.162 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.494 -10.525 8.259 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.064 -12.480 7.889 1.00 0.00 C ATOM 0 H ILE A 19 -1.699 -10.102 11.325 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.434 -11.067 10.722 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.431 -12.523 8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.956 -10.774 9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.077 -12.305 10.027 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.199 -10.803 7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.581 -10.480 8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.076 -9.548 8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.019 -12.592 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.531 -13.465 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.409 -11.909 7.027 1.00 0.00 H new ATOM 318 N VAL A 20 -2.770 -12.063 12.947 1.00 0.00 N ATOM 319 CA VAL A 20 -2.349 -13.034 13.963 1.00 0.00 C ATOM 320 C VAL A 20 -3.331 -14.201 14.167 1.00 0.00 C ATOM 321 O VAL A 20 -2.895 -15.330 14.401 1.00 0.00 O ATOM 322 CB VAL A 20 -2.036 -12.274 15.270 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.294 -11.749 15.980 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.209 -13.124 16.243 1.00 0.00 C ATOM 0 H VAL A 20 -2.765 -11.102 13.288 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.446 -13.529 13.605 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.445 -11.411 14.964 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.006 -11.225 16.891 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.825 -11.064 15.320 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.945 -12.586 16.234 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.011 -12.551 17.149 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.763 -14.027 16.498 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.264 -13.398 15.774 1.00 0.00 H new ATOM 334 N ASP A 21 -4.641 -13.952 14.050 1.00 0.00 N ATOM 335 CA ASP A 21 -5.700 -14.941 14.300 1.00 0.00 C ATOM 336 C ASP A 21 -6.456 -15.282 12.998 1.00 0.00 C ATOM 337 O ASP A 21 -7.516 -15.930 12.997 1.00 0.00 O ATOM 338 CB ASP A 21 -6.632 -14.399 15.394 1.00 0.00 C ATOM 339 CG ASP A 21 -7.654 -15.442 15.881 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.252 -16.563 16.269 1.00 0.00 O ATOM 341 OD2 ASP A 21 -8.863 -15.124 15.948 1.00 0.00 O ATOM 0 H ASP A 21 -5.003 -13.039 13.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.263 -15.876 14.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.033 -14.062 16.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.164 -13.527 15.012 1.00 0.00 H new ATOM 346 N ALA A 22 -5.897 -14.817 11.873 1.00 0.00 N ATOM 347 CA ALA A 22 -6.515 -14.817 10.564 1.00 0.00 C ATOM 348 C ALA A 22 -5.726 -15.696 9.596 1.00 0.00 C ATOM 349 O ALA A 22 -4.508 -15.580 9.436 1.00 0.00 O ATOM 350 CB ALA A 22 -6.569 -13.386 10.040 1.00 0.00 C ATOM 0 H ALA A 22 -4.960 -14.415 11.863 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.524 -15.220 10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.033 -13.377 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.155 -12.770 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.557 -12.986 9.968 1.00 0.00 H new ATOM 356 N GLU A 23 -6.474 -16.523 8.882 1.00 0.00 N ATOM 357 CA GLU A 23 -5.976 -17.496 7.910 1.00 0.00 C ATOM 358 C GLU A 23 -6.996 -17.811 6.817 1.00 0.00 C ATOM 359 O GLU A 23 -6.641 -18.194 5.703 1.00 0.00 O ATOM 360 CB GLU A 23 -5.492 -18.760 8.624 1.00 0.00 C ATOM 361 CG GLU A 23 -6.540 -19.746 9.163 1.00 0.00 C ATOM 362 CD GLU A 23 -7.226 -19.334 10.478 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.793 -18.393 11.174 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.248 -19.946 10.866 1.00 0.00 O ATOM 0 H GLU A 23 -7.491 -16.538 8.965 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.125 -17.045 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.849 -19.305 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.868 -18.449 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.308 -19.885 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.060 -20.713 9.312 1.00 0.00 H new ATOM 371 N ASP A 24 -8.267 -17.618 7.145 1.00 0.00 N ATOM 372 CA ASP A 24 -9.405 -17.633 6.263 1.00 0.00 C ATOM 373 C ASP A 24 -9.275 -16.342 5.463 1.00 0.00 C ATOM 374 O ASP A 24 -8.872 -15.314 6.023 1.00 0.00 O ATOM 375 CB ASP A 24 -10.712 -17.605 7.086 1.00 0.00 C ATOM 376 CG ASP A 24 -10.644 -18.259 8.489 1.00 0.00 C ATOM 377 OD1 ASP A 24 -9.927 -17.737 9.389 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.313 -19.298 8.690 1.00 0.00 O ATOM 0 H ASP A 24 -8.539 -17.434 8.111 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.435 -18.522 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.021 -16.567 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.491 -18.105 6.511 1.00 0.00 H new ATOM 383 N LYS A 25 -9.613 -16.357 4.173 1.00 0.00 N ATOM 384 CA LYS A 25 -9.390 -15.171 3.343 1.00 0.00 C ATOM 385 C LYS A 25 -10.204 -13.981 3.854 1.00 0.00 C ATOM 386 O LYS A 25 -9.758 -12.843 3.726 1.00 0.00 O ATOM 387 CB LYS A 25 -9.615 -15.467 1.850 1.00 0.00 C ATOM 388 CG LYS A 25 -11.089 -15.422 1.405 1.00 0.00 C ATOM 389 CD LYS A 25 -11.439 -16.478 0.348 1.00 0.00 C ATOM 390 CE LYS A 25 -11.446 -17.904 0.928 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.579 -18.150 1.860 1.00 0.00 N ATOM 0 H LYS A 25 -10.031 -17.152 3.690 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.341 -14.888 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.048 -14.746 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.210 -16.453 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.728 -15.565 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.310 -14.432 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.419 -16.255 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.719 -16.424 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.494 -18.622 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.507 -18.081 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.549 -19.136 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.503 -17.509 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.478 -17.978 1.367 1.00 0.00 H new ATOM 405 N GLU A 26 -11.366 -14.244 4.464 1.00 0.00 N ATOM 406 CA GLU A 26 -12.246 -13.213 4.971 1.00 0.00 C ATOM 407 C GLU A 26 -11.561 -12.563 6.164 1.00 0.00 C ATOM 408 O GLU A 26 -11.513 -11.340 6.262 1.00 0.00 O ATOM 409 CB GLU A 26 -13.607 -13.800 5.393 1.00 0.00 C ATOM 410 CG GLU A 26 -14.306 -14.651 4.317 1.00 0.00 C ATOM 411 CD GLU A 26 -14.029 -16.158 4.482 1.00 0.00 C ATOM 412 OE1 GLU A 26 -12.904 -16.611 4.166 1.00 0.00 O ATOM 413 OE2 GLU A 26 -14.948 -16.900 4.900 1.00 0.00 O ATOM 0 H GLU A 26 -11.715 -15.191 4.615 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.439 -12.478 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.462 -14.413 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.269 -12.981 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.381 -14.476 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.972 -14.330 3.331 1.00 0.00 H new ATOM 420 N GLU A 27 -10.984 -13.376 7.053 1.00 0.00 N ATOM 421 CA GLU A 27 -10.336 -12.870 8.246 1.00 0.00 C ATOM 422 C GLU A 27 -9.053 -12.148 7.885 1.00 0.00 C ATOM 423 O GLU A 27 -8.773 -11.112 8.480 1.00 0.00 O ATOM 424 CB GLU A 27 -10.044 -13.981 9.254 1.00 0.00 C ATOM 425 CG GLU A 27 -11.337 -14.684 9.685 1.00 0.00 C ATOM 426 CD GLU A 27 -11.228 -15.398 11.042 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.465 -14.968 11.932 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.854 -16.461 11.258 1.00 0.00 O ATOM 0 H GLU A 27 -10.957 -14.391 6.960 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.026 -12.169 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.361 -14.707 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.544 -13.562 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.141 -13.949 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.616 -15.411 8.923 1.00 0.00 H new ATOM 435 N ARG A 28 -8.268 -12.651 6.922 1.00 0.00 N ATOM 436 CA ARG A 28 -7.053 -11.933 6.532 1.00 0.00 C ATOM 437 C ARG A 28 -7.414 -10.588 5.911 1.00 0.00 C ATOM 438 O ARG A 28 -6.830 -9.580 6.309 1.00 0.00 O ATOM 439 CB ARG A 28 -6.141 -12.792 5.643 1.00 0.00 C ATOM 440 CG ARG A 28 -5.421 -13.824 6.521 1.00 0.00 C ATOM 441 CD ARG A 28 -4.326 -14.608 5.795 1.00 0.00 C ATOM 442 NE ARG A 28 -3.472 -15.303 6.772 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.455 -16.130 6.507 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.118 -16.434 5.257 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.785 -16.657 7.526 1.00 0.00 N ATOM 0 H ARG A 28 -8.444 -13.519 6.417 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.465 -11.725 7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.728 -13.295 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.415 -12.163 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.980 -13.312 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.156 -14.527 6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.775 -15.330 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.723 -13.931 5.189 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.678 -15.136 7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.639 -16.034 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.339 -17.067 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.050 -16.428 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.005 -17.291 7.350 1.00 0.00 H new ATOM 459 N ALA A 29 -8.408 -10.540 5.021 1.00 0.00 N ATOM 460 CA ALA A 29 -8.870 -9.287 4.446 1.00 0.00 C ATOM 461 C ALA A 29 -9.357 -8.329 5.540 1.00 0.00 C ATOM 462 O ALA A 29 -8.994 -7.155 5.526 1.00 0.00 O ATOM 463 CB ALA A 29 -9.971 -9.575 3.422 1.00 0.00 C ATOM 0 H ALA A 29 -8.907 -11.363 4.685 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.040 -8.796 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.320 -8.637 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.576 -10.214 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.803 -10.079 3.914 1.00 0.00 H new ATOM 469 N MET A 30 -10.143 -8.807 6.509 1.00 0.00 N ATOM 470 CA MET A 30 -10.659 -7.963 7.584 1.00 0.00 C ATOM 471 C MET A 30 -9.567 -7.514 8.555 1.00 0.00 C ATOM 472 O MET A 30 -9.587 -6.361 8.983 1.00 0.00 O ATOM 473 CB MET A 30 -11.810 -8.661 8.317 1.00 0.00 C ATOM 474 CG MET A 30 -13.079 -8.751 7.456 1.00 0.00 C ATOM 475 SD MET A 30 -13.858 -7.176 6.984 1.00 0.00 S ATOM 476 CE MET A 30 -13.078 -6.808 5.382 1.00 0.00 C ATOM 0 H MET A 30 -10.436 -9.782 6.568 1.00 0.00 H new ATOM 0 HA MET A 30 -11.047 -7.056 7.121 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.498 -9.664 8.607 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.034 -8.119 9.236 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.834 -9.296 6.545 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.815 -9.347 7.996 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.820 -6.386 4.704 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.270 -6.091 5.527 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.676 -7.726 4.953 1.00 0.00 H new ATOM 486 N GLY A 31 -8.598 -8.372 8.877 1.00 0.00 N ATOM 487 CA GLY A 31 -7.477 -8.023 9.735 1.00 0.00 C ATOM 488 C GLY A 31 -6.701 -6.858 9.129 1.00 0.00 C ATOM 489 O GLY A 31 -6.465 -5.853 9.805 1.00 0.00 O ATOM 0 H GLY A 31 -8.574 -9.336 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.838 -7.754 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.820 -8.884 9.858 1.00 0.00 H new ATOM 493 N TRP A 32 -6.402 -6.952 7.828 1.00 0.00 N ATOM 494 CA TRP A 32 -5.844 -5.844 7.072 1.00 0.00 C ATOM 495 C TRP A 32 -6.757 -4.623 7.140 1.00 0.00 C ATOM 496 O TRP A 32 -6.287 -3.555 7.523 1.00 0.00 O ATOM 497 CB TRP A 32 -5.582 -6.268 5.622 1.00 0.00 C ATOM 498 CG TRP A 32 -4.264 -6.938 5.424 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.041 -8.253 5.212 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.952 -6.309 5.418 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.687 -8.480 5.065 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.966 -7.310 5.190 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.507 -4.982 5.578 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.603 -6.996 5.120 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.142 -4.654 5.489 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.193 -5.659 5.247 1.00 0.00 C ATOM 0 H TRP A 32 -6.543 -7.800 7.278 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.891 -5.563 7.519 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.375 -6.943 5.301 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.633 -5.388 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.807 -9.013 5.165 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.273 -9.395 4.887 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.228 -4.202 5.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.128 -7.777 4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.824 -3.629 5.607 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.853 -5.404 5.158 1.00 0.00 H new ATOM 517 N TYR A 33 -8.042 -4.775 6.810 1.00 0.00 N ATOM 518 CA TYR A 33 -8.974 -3.661 6.687 1.00 0.00 C ATOM 519 C TYR A 33 -9.042 -2.826 7.965 1.00 0.00 C ATOM 520 O TYR A 33 -8.849 -1.609 7.911 1.00 0.00 O ATOM 521 CB TYR A 33 -10.370 -4.179 6.312 1.00 0.00 C ATOM 522 CG TYR A 33 -11.434 -3.104 6.351 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.505 -2.152 5.321 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.297 -3.005 7.459 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.436 -1.105 5.395 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.214 -1.944 7.550 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.295 -0.989 6.511 1.00 0.00 C ATOM 528 OH TYR A 33 -14.179 0.046 6.584 1.00 0.00 O ATOM 0 H TYR A 33 -8.464 -5.684 6.620 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.606 -3.010 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.334 -4.610 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.648 -4.982 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.842 -2.226 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.254 -3.747 8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.497 -0.383 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.857 -1.858 8.414 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.695 -0.022 7.414 1.00 0.00 H new ATOM 538 N TYR A 34 -9.315 -3.455 9.112 1.00 0.00 N ATOM 539 CA TYR A 34 -9.559 -2.716 10.342 1.00 0.00 C ATOM 540 C TYR A 34 -8.267 -2.104 10.878 1.00 0.00 C ATOM 541 O TYR A 34 -8.305 -0.988 11.395 1.00 0.00 O ATOM 542 CB TYR A 34 -10.235 -3.613 11.387 1.00 0.00 C ATOM 543 CG TYR A 34 -11.681 -3.952 11.062 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.660 -2.937 11.074 1.00 0.00 C ATOM 545 CD2 TYR A 34 -12.055 -5.272 10.746 1.00 0.00 C ATOM 546 CE1 TYR A 34 -14.003 -3.241 10.786 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.394 -5.582 10.444 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.376 -4.565 10.461 1.00 0.00 C ATOM 549 OH TYR A 34 -15.678 -4.844 10.169 1.00 0.00 O ATOM 0 H TYR A 34 -9.371 -4.469 9.209 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.240 -1.894 10.120 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.667 -4.539 11.480 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.197 -3.117 12.357 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.377 -1.921 11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.309 -6.053 10.735 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.750 -2.462 10.813 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.671 -6.597 10.199 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.770 -5.798 9.966 1.00 0.00 H new ATOM 559 N TYR A 35 -7.122 -2.779 10.734 1.00 0.00 N ATOM 560 CA TYR A 35 -5.843 -2.211 11.140 1.00 0.00 C ATOM 561 C TYR A 35 -5.476 -1.027 10.241 1.00 0.00 C ATOM 562 O TYR A 35 -4.988 -0.012 10.742 1.00 0.00 O ATOM 563 CB TYR A 35 -4.773 -3.308 11.073 1.00 0.00 C ATOM 564 CG TYR A 35 -3.407 -2.885 11.577 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.472 -2.317 10.691 1.00 0.00 C ATOM 566 CD2 TYR A 35 -3.066 -3.075 12.929 1.00 0.00 C ATOM 567 CE1 TYR A 35 -1.199 -1.937 11.151 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.794 -2.703 13.396 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.852 -2.132 12.509 1.00 0.00 C ATOM 570 OH TYR A 35 0.381 -1.782 12.972 1.00 0.00 O ATOM 0 H TYR A 35 -7.060 -3.718 10.339 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.910 -1.838 12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.112 -4.165 11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.678 -3.642 10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.734 -2.173 9.653 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.784 -3.508 13.610 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.487 -1.497 10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.535 -2.853 14.434 1.00 0.00 H new ATOM 0 HH TYR A 35 0.442 -1.987 13.928 1.00 0.00 H new ATOM 580 N LEU A 36 -5.724 -1.121 8.929 1.00 0.00 N ATOM 581 CA LEU A 36 -5.448 -0.041 7.998 1.00 0.00 C ATOM 582 C LEU A 36 -6.335 1.140 8.309 1.00 0.00 C ATOM 583 O LEU A 36 -5.765 2.212 8.489 1.00 0.00 O ATOM 584 CB LEU A 36 -5.605 -0.484 6.537 1.00 0.00 C ATOM 585 CG LEU A 36 -4.270 -0.865 5.870 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.299 -1.674 6.742 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.572 -1.648 4.590 1.00 0.00 C ATOM 0 H LEU A 36 -6.122 -1.952 8.491 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.406 0.255 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.281 -1.338 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.071 0.321 5.968 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.756 0.076 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.393 -1.888 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.043 -1.099 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.771 -2.611 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.637 -1.926 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.134 -2.549 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.161 -1.028 3.914 1.00 0.00 H new ATOM 599 N ASP A 37 -7.662 0.975 8.459 1.00 0.00 N ATOM 600 CA ASP A 37 -8.477 2.098 8.923 1.00 0.00 C ATOM 601 C ASP A 37 -7.871 2.640 10.172 1.00 0.00 C ATOM 602 O ASP A 37 -7.673 3.855 10.238 1.00 0.00 O ATOM 603 CB ASP A 37 -9.946 1.786 9.281 1.00 0.00 C ATOM 604 CG ASP A 37 -10.720 2.966 9.976 1.00 0.00 C ATOM 605 OD1 ASP A 37 -10.264 3.634 10.952 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.872 3.199 9.550 1.00 0.00 O ATOM 0 H ASP A 37 -8.171 0.111 8.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.491 2.781 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.476 1.509 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.968 0.918 9.939 1.00 0.00 H new ATOM 611 N ASP A 38 -7.556 1.792 11.160 1.00 0.00 N ATOM 612 CA ASP A 38 -7.228 2.416 12.410 1.00 0.00 C ATOM 613 C ASP A 38 -5.964 3.263 12.346 1.00 0.00 C ATOM 614 O ASP A 38 -5.938 4.346 12.934 1.00 0.00 O ATOM 615 CB ASP A 38 -7.359 1.572 13.667 1.00 0.00 C ATOM 616 CG ASP A 38 -7.602 2.571 14.835 1.00 0.00 C ATOM 617 OD1 ASP A 38 -8.201 3.664 14.609 1.00 0.00 O ATOM 618 OD2 ASP A 38 -7.207 2.261 15.981 1.00 0.00 O ATOM 0 H ASP A 38 -7.526 0.773 11.117 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.055 3.113 12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.186 0.867 13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.457 0.985 13.838 1.00 0.00 H new ATOM 623 N THR A 39 -5.023 2.860 11.499 1.00 0.00 N ATOM 624 CA THR A 39 -3.747 3.530 11.352 1.00 0.00 C ATOM 625 C THR A 39 -3.938 4.833 10.560 1.00 0.00 C ATOM 626 O THR A 39 -3.414 5.882 10.938 1.00 0.00 O ATOM 627 CB THR A 39 -2.786 2.556 10.653 1.00 0.00 C ATOM 628 OG1 THR A 39 -2.715 1.323 11.344 1.00 0.00 O ATOM 629 CG2 THR A 39 -1.382 3.144 10.607 1.00 0.00 C ATOM 0 H THR A 39 -5.131 2.049 10.890 1.00 0.00 H new ATOM 0 HA THR A 39 -3.325 3.806 12.318 1.00 0.00 H new ATOM 0 HB THR A 39 -3.169 2.392 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.529 0.805 11.173 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.711 2.444 10.109 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.399 4.084 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.030 3.325 11.623 1.00 0.00 H new ATOM 637 N LEU A 40 -4.701 4.766 9.468 1.00 0.00 N ATOM 638 CA LEU A 40 -5.083 5.916 8.659 1.00 0.00 C ATOM 639 C LEU A 40 -5.923 6.891 9.500 1.00 0.00 C ATOM 640 O LEU A 40 -6.757 6.491 10.325 1.00 0.00 O ATOM 641 CB LEU A 40 -5.900 5.460 7.433 1.00 0.00 C ATOM 642 CG LEU A 40 -5.192 4.482 6.469 1.00 0.00 C ATOM 643 CD1 LEU A 40 -6.224 3.818 5.549 1.00 0.00 C ATOM 644 CD2 LEU A 40 -4.118 5.126 5.598 1.00 0.00 C ATOM 0 H LEU A 40 -5.078 3.886 9.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.178 6.417 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.817 4.989 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.194 6.345 6.869 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.693 3.754 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.718 3.130 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.948 3.269 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.740 4.583 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.672 4.370 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.567 5.908 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.347 5.561 6.234 1.00 0.00 H new ATOM 656 N GLU A 41 -5.771 8.183 9.210 1.00 0.00 N ATOM 657 CA GLU A 41 -6.566 9.275 9.766 1.00 0.00 C ATOM 658 C GLU A 41 -7.117 10.106 8.596 1.00 0.00 C ATOM 659 O GLU A 41 -6.903 11.316 8.493 1.00 0.00 O ATOM 660 CB GLU A 41 -5.729 10.077 10.781 1.00 0.00 C ATOM 661 CG GLU A 41 -5.411 9.274 12.054 1.00 0.00 C ATOM 662 CD GLU A 41 -6.653 9.049 12.942 1.00 0.00 C ATOM 663 OE1 GLU A 41 -6.983 9.939 13.759 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.306 7.982 12.851 1.00 0.00 O ATOM 0 H GLU A 41 -5.061 8.510 8.554 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.421 8.907 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.796 10.389 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.268 10.984 11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.990 8.308 11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.649 9.799 12.629 1.00 0.00 H new ATOM 671 N PHE A 42 -7.782 9.411 7.665 1.00 0.00 N ATOM 672 CA PHE A 42 -8.494 9.998 6.530 1.00 0.00 C ATOM 673 C PHE A 42 -9.593 10.982 6.993 1.00 0.00 C ATOM 674 O PHE A 42 -10.026 10.893 8.148 1.00 0.00 O ATOM 675 CB PHE A 42 -9.033 8.850 5.655 1.00 0.00 C ATOM 676 CG PHE A 42 -9.954 7.850 6.338 1.00 0.00 C ATOM 677 CD1 PHE A 42 -11.273 8.214 6.678 1.00 0.00 C ATOM 678 CD2 PHE A 42 -9.530 6.520 6.532 1.00 0.00 C ATOM 679 CE1 PHE A 42 -12.154 7.260 7.217 1.00 0.00 C ATOM 680 CE2 PHE A 42 -10.411 5.568 7.075 1.00 0.00 C ATOM 681 CZ PHE A 42 -11.724 5.937 7.414 1.00 0.00 C ATOM 0 H PHE A 42 -7.839 8.393 7.684 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.814 10.602 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.569 9.286 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.182 8.305 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.608 9.229 6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.525 6.231 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.162 7.544 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.078 4.553 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.402 5.204 7.826 1.00 0.00 H new ATOM 691 N PRO A 43 -10.102 11.889 6.130 1.00 0.00 N ATOM 692 CA PRO A 43 -9.729 12.107 4.728 1.00 0.00 C ATOM 693 C PRO A 43 -8.294 12.627 4.585 1.00 0.00 C ATOM 694 O PRO A 43 -7.785 13.293 5.490 1.00 0.00 O ATOM 695 CB PRO A 43 -10.743 13.128 4.194 1.00 0.00 C ATOM 696 CG PRO A 43 -11.158 13.915 5.432 1.00 0.00 C ATOM 697 CD PRO A 43 -11.126 12.849 6.523 1.00 0.00 C ATOM 0 HA PRO A 43 -9.752 11.173 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.298 13.776 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.597 12.637 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.469 14.733 5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.150 14.353 5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.893 13.291 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.097 12.363 6.620 1.00 0.00 H new ATOM 705 N PHE A 44 -7.639 12.333 3.456 1.00 0.00 N ATOM 706 CA PHE A 44 -6.311 12.871 3.147 1.00 0.00 C ATOM 707 C PHE A 44 -6.156 13.010 1.631 1.00 0.00 C ATOM 708 O PHE A 44 -6.910 12.406 0.873 1.00 0.00 O ATOM 709 CB PHE A 44 -5.199 12.005 3.777 1.00 0.00 C ATOM 710 CG PHE A 44 -5.073 10.577 3.266 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.386 10.322 2.068 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.608 9.496 3.991 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.276 9.020 1.560 1.00 0.00 C ATOM 714 CE2 PHE A 44 -5.500 8.187 3.490 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.843 7.947 2.269 1.00 0.00 C ATOM 0 H PHE A 44 -8.014 11.718 2.734 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.211 13.863 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.245 12.508 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.365 11.968 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.935 11.142 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.103 9.672 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.758 8.842 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.923 7.362 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.775 6.942 1.878 1.00 0.00 H new ATOM 725 N MET A 45 -5.196 13.806 1.165 1.00 0.00 N ATOM 726 CA MET A 45 -4.940 13.987 -0.262 1.00 0.00 C ATOM 727 C MET A 45 -3.968 12.904 -0.732 1.00 0.00 C ATOM 728 O MET A 45 -3.009 12.606 -0.021 1.00 0.00 O ATOM 729 CB MET A 45 -4.334 15.385 -0.453 1.00 0.00 C ATOM 730 CG MET A 45 -4.053 15.714 -1.918 1.00 0.00 C ATOM 731 SD MET A 45 -3.148 17.264 -2.140 1.00 0.00 S ATOM 732 CE MET A 45 -2.934 17.162 -3.929 1.00 0.00 C ATOM 0 H MET A 45 -4.573 14.344 1.767 1.00 0.00 H new ATOM 0 HA MET A 45 -5.856 13.903 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.015 16.130 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.406 15.454 0.115 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.481 14.900 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.998 15.772 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.270 17.959 -4.262 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.501 16.196 -4.189 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.902 17.269 -4.418 1.00 0.00 H new ATOM 742 N GLY A 46 -4.138 12.351 -1.935 1.00 0.00 N ATOM 743 CA GLY A 46 -3.197 11.395 -2.482 1.00 0.00 C ATOM 744 C GLY A 46 -3.164 11.460 -3.996 1.00 0.00 C ATOM 745 O GLY A 46 -3.977 12.129 -4.635 1.00 0.00 O ATOM 0 H GLY A 46 -4.928 12.557 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.201 11.594 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.471 10.389 -2.165 1.00 0.00 H new ATOM 749 N LYS A 47 -2.189 10.775 -4.577 1.00 0.00 N ATOM 750 CA LYS A 47 -2.136 10.545 -6.007 1.00 0.00 C ATOM 751 C LYS A 47 -2.706 9.149 -6.237 1.00 0.00 C ATOM 752 O LYS A 47 -2.227 8.184 -5.636 1.00 0.00 O ATOM 753 CB LYS A 47 -0.680 10.654 -6.498 1.00 0.00 C ATOM 754 CG LYS A 47 -0.608 10.821 -8.022 1.00 0.00 C ATOM 755 CD LYS A 47 -0.955 12.236 -8.515 1.00 0.00 C ATOM 756 CE LYS A 47 0.152 13.252 -8.193 1.00 0.00 C ATOM 757 NZ LYS A 47 -0.069 14.548 -8.880 1.00 0.00 N ATOM 0 H LYS A 47 -1.410 10.363 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.712 11.284 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.195 11.503 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.128 9.762 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.398 10.567 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.289 10.108 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.122 12.213 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.888 12.560 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.193 13.415 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.118 12.843 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.418 15.305 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.308 14.496 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.088 14.753 -8.916 1.00 0.00 H new ATOM 771 N TRP A 48 -3.734 9.035 -7.072 1.00 0.00 N ATOM 772 CA TRP A 48 -4.217 7.751 -7.548 1.00 0.00 C ATOM 773 C TRP A 48 -3.290 7.422 -8.711 1.00 0.00 C ATOM 774 O TRP A 48 -3.369 8.066 -9.753 1.00 0.00 O ATOM 775 CB TRP A 48 -5.691 7.860 -7.980 1.00 0.00 C ATOM 776 CG TRP A 48 -6.371 6.602 -8.443 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.840 5.358 -8.472 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.738 6.442 -8.937 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.758 4.455 -8.958 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.951 5.069 -9.271 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.827 7.321 -9.127 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.174 4.600 -9.775 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.061 6.861 -9.625 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.235 5.504 -9.950 1.00 0.00 C ATOM 0 H TRP A 48 -4.254 9.834 -7.436 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.200 6.968 -6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.259 8.261 -7.141 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.753 8.592 -8.785 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.837 5.109 -8.158 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.578 3.458 -9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.711 8.367 -8.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.298 3.557 -10.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.878 7.554 -9.758 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.183 5.157 -10.334 1.00 0.00 H new ATOM 795 N LYS A 49 -2.367 6.481 -8.528 1.00 0.00 N ATOM 796 CA LYS A 49 -1.322 6.114 -9.480 1.00 0.00 C ATOM 797 C LYS A 49 -1.718 4.781 -10.113 1.00 0.00 C ATOM 798 O LYS A 49 -1.121 3.737 -9.852 1.00 0.00 O ATOM 799 CB LYS A 49 0.028 6.054 -8.749 1.00 0.00 C ATOM 800 CG LYS A 49 0.470 7.429 -8.222 1.00 0.00 C ATOM 801 CD LYS A 49 1.800 7.381 -7.454 1.00 0.00 C ATOM 802 CE LYS A 49 3.022 7.102 -8.344 1.00 0.00 C ATOM 803 NZ LYS A 49 3.456 8.286 -9.131 1.00 0.00 N ATOM 0 H LYS A 49 -2.325 5.928 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.215 6.851 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.044 5.354 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.788 5.666 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.566 8.119 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.306 7.828 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.946 8.331 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.738 6.610 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.849 6.766 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.787 6.286 -9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.313 8.049 -9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.699 8.563 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.661 9.076 -8.486 1.00 0.00 H new ATOM 817 N LYS A 50 -2.810 4.822 -10.869 1.00 0.00 N ATOM 818 CA LYS A 50 -3.480 3.644 -11.404 1.00 0.00 C ATOM 819 C LYS A 50 -2.557 2.893 -12.365 1.00 0.00 C ATOM 820 O LYS A 50 -2.243 3.401 -13.445 1.00 0.00 O ATOM 821 CB LYS A 50 -4.795 4.062 -12.082 1.00 0.00 C ATOM 822 CG LYS A 50 -5.678 2.843 -12.388 1.00 0.00 C ATOM 823 CD LYS A 50 -6.938 3.255 -13.158 1.00 0.00 C ATOM 824 CE LYS A 50 -7.754 2.010 -13.531 1.00 0.00 C ATOM 825 NZ LYS A 50 -8.966 2.344 -14.320 1.00 0.00 N ATOM 0 H LYS A 50 -3.264 5.697 -11.133 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.721 2.961 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.336 4.753 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.576 4.596 -13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.112 2.117 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.961 2.352 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.543 3.928 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.661 3.802 -14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.128 1.326 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.049 1.486 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.484 1.471 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.579 2.975 -13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.686 2.820 -15.201 1.00 0.00 H new ATOM 976 N GLU A 59 -0.585 5.443 -14.727 1.00 0.00 N ATOM 977 CA GLU A 59 -1.306 6.595 -15.237 1.00 0.00 C ATOM 978 C GLU A 59 -1.913 7.193 -13.970 1.00 0.00 C ATOM 979 O GLU A 59 -2.459 6.448 -13.152 1.00 0.00 O ATOM 980 CB GLU A 59 -2.389 6.158 -16.237 1.00 0.00 C ATOM 981 CG GLU A 59 -1.836 5.600 -17.563 1.00 0.00 C ATOM 982 CD GLU A 59 -1.048 6.613 -18.422 1.00 0.00 C ATOM 983 OE1 GLU A 59 -1.144 7.844 -18.208 1.00 0.00 O ATOM 984 OE2 GLU A 59 -0.357 6.176 -19.371 1.00 0.00 O ATOM 0 HA GLU A 59 -0.682 7.302 -15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.015 5.398 -15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.032 7.011 -16.455 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.187 4.753 -17.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.668 5.217 -18.153 1.00 0.00 H new ATOM 991 N GLU A 60 -1.792 8.504 -13.751 1.00 0.00 N ATOM 992 CA GLU A 60 -2.139 9.073 -12.454 1.00 0.00 C ATOM 993 C GLU A 60 -3.093 10.263 -12.502 1.00 0.00 C ATOM 994 O GLU A 60 -3.155 11.000 -13.491 1.00 0.00 O ATOM 995 CB GLU A 60 -0.869 9.323 -11.631 1.00 0.00 C ATOM 996 CG GLU A 60 0.011 10.425 -12.213 1.00 0.00 C ATOM 997 CD GLU A 60 1.259 10.700 -11.355 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.910 9.740 -10.882 1.00 0.00 O ATOM 999 OE2 GLU A 60 1.605 11.889 -11.168 1.00 0.00 O ATOM 0 H GLU A 60 -1.463 9.178 -14.442 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.736 8.324 -11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.150 9.590 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.293 8.399 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.321 10.144 -13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.572 11.341 -12.303 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.817 10.443 -11.393 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.725 11.556 -11.128 1.00 0.00 C ATOM 1008 C LYS A 61 -4.482 12.018 -9.696 1.00 0.00 C ATOM 1009 O LYS A 61 -4.073 11.216 -8.853 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.191 11.106 -11.271 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.580 10.714 -12.705 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.092 10.467 -12.855 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.651 9.319 -11.995 1.00 0.00 C ATOM 1014 NZ LYS A 61 -8.177 7.977 -12.426 1.00 0.00 N ATOM 0 H LYS A 61 -3.782 9.781 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.542 12.360 -11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.367 10.256 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.844 11.912 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.274 11.504 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.037 9.814 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.622 11.384 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.308 10.255 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.366 9.481 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.740 9.342 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.310 7.296 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.721 7.667 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.168 8.028 -12.673 1.00 0.00 H new ATOM 1028 N THR A 62 -4.760 13.281 -9.397 1.00 0.00 N ATOM 1029 CA THR A 62 -4.610 13.824 -8.053 1.00 0.00 C ATOM 1030 C THR A 62 -5.991 13.796 -7.404 1.00 0.00 C ATOM 1031 O THR A 62 -6.965 14.260 -8.005 1.00 0.00 O ATOM 1032 CB THR A 62 -3.991 15.224 -8.144 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.841 15.184 -8.973 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.529 15.715 -6.777 1.00 0.00 C ATOM 0 H THR A 62 -5.096 13.959 -10.081 1.00 0.00 H new ATOM 0 HA THR A 62 -3.933 13.239 -7.430 1.00 0.00 H new ATOM 0 HB THR A 62 -4.755 15.890 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.448 16.080 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.095 16.710 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.381 15.756 -6.098 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.780 15.030 -6.378 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.097 13.239 -6.196 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.378 12.952 -5.576 1.00 0.00 C ATOM 1044 C VAL A 63 -7.368 13.311 -4.090 1.00 0.00 C ATOM 1045 O VAL A 63 -6.324 13.400 -3.445 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.773 11.470 -5.801 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.815 11.072 -7.287 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.859 10.465 -5.082 1.00 0.00 C ATOM 0 H VAL A 63 -5.293 12.977 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.134 13.576 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.774 11.417 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.098 10.023 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.546 11.690 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.831 11.221 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.200 9.451 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.836 10.583 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.892 10.647 -4.008 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.559 13.502 -3.543 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.806 13.629 -2.116 1.00 0.00 C ATOM 1060 C GLU A 64 -9.496 12.326 -1.731 1.00 0.00 C ATOM 1061 O GLU A 64 -10.551 12.017 -2.282 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.676 14.864 -1.827 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.919 15.033 -0.320 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.624 16.365 -0.008 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.865 16.457 -0.148 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.944 17.335 0.398 1.00 0.00 O ATOM 0 H GLU A 64 -9.410 13.575 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.896 13.779 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.189 15.756 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.631 14.768 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.525 14.205 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.967 14.991 0.210 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.893 11.523 -0.859 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.524 10.311 -0.359 1.00 0.00 C ATOM 1075 C VAL A 65 -10.484 10.729 0.746 1.00 0.00 C ATOM 1076 O VAL A 65 -10.118 11.519 1.621 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.517 9.219 0.077 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.260 9.168 -0.811 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -8.100 9.212 1.550 1.00 0.00 C ATOM 0 H VAL A 65 -7.960 11.694 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.074 9.823 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.110 8.315 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.594 8.383 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.550 8.957 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.745 10.128 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.393 8.400 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.629 10.163 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.980 9.068 2.177 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.702 10.197 0.717 1.00 0.00 N ATOM 1090 CA LEU A 66 -12.717 10.491 1.718 1.00 0.00 C ATOM 1091 C LEU A 66 -12.628 9.484 2.864 1.00 0.00 C ATOM 1092 O LEU A 66 -12.987 9.815 3.993 1.00 0.00 O ATOM 1093 CB LEU A 66 -14.127 10.492 1.099 1.00 0.00 C ATOM 1094 CG LEU A 66 -14.392 11.527 -0.018 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.788 12.907 0.275 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.903 11.051 -1.391 1.00 0.00 C ATOM 0 H LEU A 66 -12.012 9.547 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.531 11.490 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.323 9.498 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.850 10.660 1.898 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.477 11.626 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.011 13.584 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.215 13.303 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.708 12.815 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.114 11.816 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.829 10.869 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.418 10.129 -1.661 1.00 0.00 H new ATOM 1108 N GLY A 67 -12.127 8.275 2.594 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.939 7.231 3.573 1.00 0.00 C ATOM 1110 C GLY A 67 -11.809 5.891 2.876 1.00 0.00 C ATOM 1111 O GLY A 67 -11.891 5.800 1.649 1.00 0.00 O ATOM 0 H GLY A 67 -11.836 8.000 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.046 7.431 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.782 7.212 4.264 1.00 0.00 H new ATOM 1115 N MET A 68 -11.594 4.848 3.667 1.00 0.00 N ATOM 1116 CA MET A 68 -11.657 3.470 3.189 1.00 0.00 C ATOM 1117 C MET A 68 -13.069 3.190 2.664 1.00 0.00 C ATOM 1118 O MET A 68 -14.053 3.710 3.202 1.00 0.00 O ATOM 1119 CB MET A 68 -11.297 2.492 4.319 1.00 0.00 C ATOM 1120 CG MET A 68 -9.842 2.597 4.801 1.00 0.00 C ATOM 1121 SD MET A 68 -8.593 1.817 3.738 1.00 0.00 S ATOM 1122 CE MET A 68 -8.883 0.070 4.135 1.00 0.00 C ATOM 0 H MET A 68 -11.371 4.932 4.659 1.00 0.00 H new ATOM 0 HA MET A 68 -10.936 3.330 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.962 2.670 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.482 1.474 3.976 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.591 3.652 4.909 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.776 2.151 5.793 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.137 -0.546 3.633 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.808 -0.076 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.879 -0.219 3.798 1.00 0.00 H new ATOM 1132 N ALA A 69 -13.169 2.361 1.623 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.452 1.847 1.153 1.00 0.00 C ATOM 1134 C ALA A 69 -15.062 0.910 2.219 1.00 0.00 C ATOM 1135 O ALA A 69 -14.347 0.500 3.136 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.245 1.119 -0.179 1.00 0.00 C ATOM 0 H ALA A 69 -12.367 2.030 1.087 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.150 2.669 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.200 0.733 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.838 1.814 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.549 0.292 -0.037 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.355 0.549 2.123 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.991 -0.382 3.048 1.00 0.00 C ATOM 1144 C PRO A 70 -16.245 -1.714 3.194 1.00 0.00 C ATOM 1145 O PRO A 70 -15.697 -2.257 2.228 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.403 -0.610 2.494 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.699 0.688 1.749 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.334 1.061 1.175 1.00 0.00 C ATOM 0 HA PRO A 70 -16.993 0.041 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.440 -1.473 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.124 -0.790 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.443 0.545 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.083 1.460 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.191 0.621 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.240 2.141 1.059 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.333 -2.305 4.387 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.874 -3.670 4.651 1.00 0.00 C ATOM 1158 C ASP A 71 -16.587 -4.685 3.751 1.00 0.00 C ATOM 1159 O ASP A 71 -16.024 -5.734 3.448 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.073 -4.058 6.123 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.532 -4.412 6.462 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.364 -3.485 6.581 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.852 -5.610 6.632 1.00 0.00 O ATOM 0 H ASP A 71 -16.729 -1.844 5.206 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.808 -3.690 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.435 -4.910 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.749 -3.233 6.757 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.793 -4.350 3.278 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.601 -5.178 2.383 1.00 0.00 C ATOM 1170 C ASP A 72 -17.893 -5.475 1.056 1.00 0.00 C ATOM 1171 O ASP A 72 -18.184 -6.491 0.424 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.943 -4.486 2.118 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.845 -5.328 1.199 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -21.359 -6.379 1.645 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -21.092 -4.916 0.042 1.00 0.00 O ATOM 0 H ASP A 72 -18.245 -3.467 3.517 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.762 -6.135 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.453 -4.307 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.766 -3.512 1.662 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.929 -4.637 0.655 1.00 0.00 N ATOM 1181 CA GLU A 73 -16.116 -4.852 -0.540 1.00 0.00 C ATOM 1182 C GLU A 73 -14.632 -5.001 -0.202 1.00 0.00 C ATOM 1183 O GLU A 73 -13.927 -5.717 -0.916 1.00 0.00 O ATOM 1184 CB GLU A 73 -16.392 -3.774 -1.601 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.039 -2.337 -1.191 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.389 -1.358 -2.327 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.583 -1.201 -3.270 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.487 -0.755 -2.298 1.00 0.00 O ATOM 0 H GLU A 73 -16.692 -3.783 1.159 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.413 -5.803 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.832 -4.024 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.449 -3.809 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.583 -2.065 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.977 -2.269 -0.957 1.00 0.00 H new ATOM 1195 N CYS A 74 -14.157 -4.461 0.929 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.771 -4.646 1.367 1.00 0.00 C ATOM 1197 C CYS A 74 -12.444 -6.083 1.824 1.00 0.00 C ATOM 1198 O CYS A 74 -11.404 -6.325 2.434 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.372 -3.607 2.418 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.510 -1.935 1.723 1.00 0.00 S ATOM 0 H CYS A 74 -14.719 -3.889 1.559 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.158 -4.482 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.014 -3.699 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.350 -3.788 2.751 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.758 -1.572 1.710 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.329 -7.044 1.551 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.092 -8.477 1.707 1.00 0.00 C ATOM 1208 C LEU A 75 -12.274 -9.017 0.522 1.00 0.00 C ATOM 1209 O LEU A 75 -11.779 -10.142 0.586 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.445 -9.211 1.795 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.093 -9.098 3.189 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.604 -9.336 3.113 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.475 -10.097 4.177 1.00 0.00 C ATOM 0 H LEU A 75 -14.265 -6.836 1.202 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.525 -8.649 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.125 -8.801 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.300 -10.263 1.551 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.905 -8.086 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.036 -9.251 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.057 -8.593 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.796 -10.334 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.955 -9.991 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.623 -11.112 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.408 -9.899 4.275 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.145 -8.241 -0.563 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.550 -8.682 -1.827 1.00 0.00 C ATOM 1227 C LYS A 76 -10.153 -8.096 -2.012 1.00 0.00 C ATOM 1228 O LYS A 76 -9.259 -8.772 -2.519 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.434 -8.229 -3.002 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.884 -8.739 -2.928 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.724 -8.292 -4.135 1.00 0.00 C ATOM 1232 CE LYS A 76 -14.859 -6.762 -4.217 1.00 0.00 C ATOM 1233 NZ LYS A 76 -15.731 -6.336 -5.341 1.00 0.00 N ATOM 0 H LYS A 76 -12.458 -7.271 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.477 -9.769 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.444 -7.140 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.986 -8.573 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.881 -9.828 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.348 -8.375 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.266 -8.664 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.716 -8.739 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.267 -6.384 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.871 -6.318 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.793 -5.298 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.329 -6.673 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.682 -6.738 -5.214 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.973 -6.838 -1.617 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.762 -6.032 -1.784 1.00 0.00 C ATOM 1249 C ASP A 77 -8.922 -4.845 -0.825 1.00 0.00 C ATOM 1250 O ASP A 77 -10.001 -4.681 -0.250 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.641 -5.542 -3.242 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.194 -5.255 -3.677 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.460 -4.560 -2.945 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.807 -5.714 -4.777 1.00 0.00 O ATOM 0 H ASP A 77 -10.713 -6.321 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.860 -6.604 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.069 -6.293 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.234 -4.636 -3.362 1.00 0.00 H new ATOM 1259 N MET A 78 -7.905 -4.011 -0.630 1.00 0.00 N ATOM 1260 CA MET A 78 -8.061 -2.772 0.131 1.00 0.00 C ATOM 1261 C MET A 78 -8.491 -1.671 -0.837 1.00 0.00 C ATOM 1262 O MET A 78 -7.868 -1.498 -1.888 1.00 0.00 O ATOM 1263 CB MET A 78 -6.748 -2.408 0.836 1.00 0.00 C ATOM 1264 CG MET A 78 -6.369 -3.397 1.944 1.00 0.00 C ATOM 1265 SD MET A 78 -7.541 -3.530 3.325 1.00 0.00 S ATOM 1266 CE MET A 78 -8.326 -5.114 2.918 1.00 0.00 C ATOM 0 H MET A 78 -6.963 -4.169 -0.988 1.00 0.00 H new ATOM 0 HA MET A 78 -8.819 -2.895 0.904 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.945 -2.370 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.836 -1.409 1.263 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.250 -4.384 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.397 -3.109 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.378 -5.082 3.201 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.244 -5.296 1.846 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.828 -5.917 3.462 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.512 -0.886 -0.479 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.073 0.149 -1.345 1.00 0.00 C ATOM 1278 C TYR A 79 -10.363 1.420 -0.548 1.00 0.00 C ATOM 1279 O TYR A 79 -10.574 1.373 0.666 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.386 -0.329 -1.984 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.374 -1.607 -2.800 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.092 -1.576 -4.180 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.775 -2.812 -2.195 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.225 -2.746 -4.955 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.907 -3.980 -2.961 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.642 -3.954 -4.347 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.788 -5.101 -5.071 1.00 0.00 O ATOM 0 H TYR A 79 -9.974 -0.954 0.428 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.338 0.358 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.117 -0.454 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.751 0.471 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.773 -0.655 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.982 -2.838 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.009 -2.720 -6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.212 -4.902 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.313 -5.833 -4.624 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.439 2.547 -1.253 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.645 3.877 -0.701 1.00 0.00 C ATOM 1299 C VAL A 80 -11.576 4.629 -1.647 1.00 0.00 C ATOM 1300 O VAL A 80 -11.463 4.503 -2.866 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.297 4.616 -0.514 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.613 4.209 0.797 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.298 4.396 -1.665 1.00 0.00 C ATOM 0 H VAL A 80 -10.354 2.554 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.097 3.814 0.289 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.565 5.673 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.670 4.746 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.262 4.455 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.421 3.136 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.380 4.946 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.073 3.333 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.734 4.753 -2.598 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.511 5.389 -1.087 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.347 6.313 -1.843 1.00 0.00 C ATOM 1315 C GLU A 81 -12.524 7.579 -2.081 1.00 0.00 C ATOM 1316 O GLU A 81 -11.869 8.063 -1.153 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.628 6.641 -1.063 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.545 5.417 -0.929 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.876 5.784 -0.249 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.958 5.754 1.000 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.862 6.090 -0.957 1.00 0.00 O ATOM 0 H GLU A 81 -12.711 5.381 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.649 5.869 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.365 7.008 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.165 7.444 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.742 4.999 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.040 4.644 -0.350 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.550 8.123 -3.299 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.686 9.234 -3.697 1.00 0.00 C ATOM 1330 C VAL A 82 -12.455 10.214 -4.587 1.00 0.00 C ATOM 1331 O VAL A 82 -13.334 9.799 -5.337 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.395 8.710 -4.375 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.628 7.693 -3.515 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.620 8.075 -5.756 1.00 0.00 C ATOM 0 H VAL A 82 -13.174 7.803 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.376 9.780 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.803 9.617 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.735 7.366 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.339 8.158 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.266 6.832 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.666 7.735 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.297 7.226 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.057 8.813 -6.429 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.113 11.501 -4.550 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.702 12.548 -5.375 1.00 0.00 C ATOM 1346 C ALA A 83 -11.580 13.182 -6.186 1.00 0.00 C ATOM 1347 O ALA A 83 -10.494 13.431 -5.661 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.401 13.588 -4.495 1.00 0.00 C ATOM 0 H ALA A 83 -11.392 11.853 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.455 12.133 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.836 14.364 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.189 13.105 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.676 14.036 -3.816 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.825 13.411 -7.472 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.799 13.811 -8.430 1.00 0.00 C ATOM 1356 C ASP A 84 -10.562 15.318 -8.379 1.00 0.00 C ATOM 1357 O ASP A 84 -11.246 16.089 -9.052 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.202 13.348 -9.835 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.311 13.953 -10.926 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.076 13.791 -10.843 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.863 14.579 -11.862 1.00 0.00 O ATOM 0 H ASP A 84 -12.754 13.323 -7.884 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.856 13.332 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.147 12.261 -9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.240 13.624 -10.022 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.581 15.739 -7.578 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.091 17.119 -7.550 1.00 0.00 C ATOM 1368 C ILE A 85 -8.544 17.487 -8.943 1.00 0.00 C ATOM 1369 O ILE A 85 -8.632 18.643 -9.358 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.995 17.317 -6.469 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.297 16.647 -5.109 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.761 18.818 -6.216 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -7.094 16.691 -4.152 1.00 0.00 C ATOM 0 H ILE A 85 -9.099 15.124 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.921 17.777 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.111 16.829 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.147 17.145 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.588 15.610 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.990 18.943 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.440 19.297 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.688 19.278 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.359 16.207 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.251 16.169 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.818 17.728 -3.961 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.184 11.504 -7.251 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.475 10.583 -6.372 1.00 0.00 C ATOM 1459 C VAL A 92 -16.397 9.212 -7.059 1.00 0.00 C ATOM 1460 O VAL A 92 -17.270 8.829 -7.843 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.173 10.521 -4.988 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.336 9.785 -3.930 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.500 11.914 -4.416 1.00 0.00 C ATOM 0 HA VAL A 92 -15.457 10.929 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.095 9.973 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.875 9.774 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.155 8.761 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.383 10.298 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.987 11.804 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.578 12.484 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.166 12.441 -5.099 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.333 8.487 -6.735 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.914 7.218 -7.301 1.00 0.00 C ATOM 1475 C TYR A 93 -14.437 6.316 -6.156 1.00 0.00 C ATOM 1476 O TYR A 93 -14.399 6.726 -4.993 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.757 7.467 -8.291 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.052 8.409 -9.444 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -14.571 7.899 -10.650 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.764 9.784 -9.330 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -14.790 8.753 -11.745 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.987 10.646 -10.419 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.492 10.132 -11.636 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.669 10.964 -12.701 1.00 0.00 O ATOM 0 H TYR A 93 -14.690 8.801 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.739 6.740 -7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.908 7.863 -7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.447 6.507 -8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.802 6.847 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.371 10.177 -8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.185 8.357 -12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.773 11.700 -10.326 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.416 11.877 -12.449 1.00 0.00 H new ATOM 1494 N THR A 94 -14.002 5.110 -6.506 1.00 0.00 N ATOM 1495 CA THR A 94 -13.319 4.197 -5.601 1.00 0.00 C ATOM 1496 C THR A 94 -12.040 3.746 -6.308 1.00 0.00 C ATOM 1497 O THR A 94 -12.045 3.500 -7.518 1.00 0.00 O ATOM 1498 CB THR A 94 -14.243 3.027 -5.208 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.552 3.482 -4.905 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.722 2.284 -3.974 1.00 0.00 C ATOM 0 H THR A 94 -14.118 4.734 -7.447 1.00 0.00 H new ATOM 0 HA THR A 94 -13.056 4.681 -4.660 1.00 0.00 H new ATOM 0 HB THR A 94 -14.262 2.358 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.116 2.718 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.400 1.467 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.730 1.883 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.664 2.973 -3.132 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.952 3.653 -5.547 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.635 3.247 -6.003 1.00 0.00 C ATOM 1510 C ALA A 95 -9.152 2.125 -5.088 1.00 0.00 C ATOM 1511 O ALA A 95 -9.610 2.004 -3.949 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.690 4.455 -5.948 1.00 0.00 C ATOM 0 H ALA A 95 -10.971 3.870 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.662 2.888 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.699 4.157 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.073 5.246 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.626 4.821 -4.923 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.213 1.309 -5.568 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.539 0.355 -4.702 1.00 0.00 C ATOM 1520 C LYS A 96 -6.516 1.147 -3.903 1.00 0.00 C ATOM 1521 O LYS A 96 -5.834 2.010 -4.459 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.815 -0.743 -5.496 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.698 -1.831 -6.125 1.00 0.00 C ATOM 1524 CD LYS A 96 -8.578 -1.419 -7.319 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.852 -0.787 -8.523 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.724 -1.601 -9.043 1.00 0.00 N ATOM 0 H LYS A 96 -7.908 1.292 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.273 -0.144 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.242 -0.267 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.098 -1.227 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.051 -2.647 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.349 -2.229 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.114 -2.302 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.327 -0.712 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.572 -0.628 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.475 0.194 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.690 -1.526 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.830 -1.252 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.860 -2.596 -8.773 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.331 0.798 -2.633 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.224 1.321 -1.833 1.00 0.00 C ATOM 1542 C LEU A 97 -3.891 0.923 -2.492 1.00 0.00 C ATOM 1543 O LEU A 97 -2.914 1.661 -2.431 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.322 0.770 -0.402 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.401 1.483 0.608 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.829 2.941 0.821 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.462 0.750 1.951 1.00 0.00 C ATOM 0 H LEU A 97 -6.938 0.150 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.275 2.409 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.354 0.855 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.077 -0.292 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.387 1.473 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.160 3.416 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.783 3.476 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.849 2.969 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.812 1.251 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.487 0.757 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.131 -0.280 1.819 1.00 0.00 H new ATOM 1559 N SER A 98 -3.894 -0.217 -3.189 1.00 0.00 N ATOM 1560 CA SER A 98 -2.821 -0.759 -4.019 1.00 0.00 C ATOM 1561 C SER A 98 -2.366 0.176 -5.146 1.00 0.00 C ATOM 1562 O SER A 98 -1.286 -0.011 -5.707 1.00 0.00 O ATOM 1563 CB SER A 98 -3.369 -2.051 -4.631 1.00 0.00 C ATOM 1564 OG SER A 98 -3.940 -2.826 -3.590 1.00 0.00 O ATOM 0 H SER A 98 -4.710 -0.829 -3.186 1.00 0.00 H new ATOM 0 HA SER A 98 -1.942 -0.910 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.117 -1.824 -5.391 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.571 -2.606 -5.125 1.00 0.00 H new ATOM 0 HG SER A 98 -4.790 -3.206 -3.894 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.186 1.170 -5.480 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.975 2.110 -6.574 1.00 0.00 C ATOM 1572 C ASP A 99 -2.974 3.546 -6.035 1.00 0.00 C ATOM 1573 O ASP A 99 -3.047 4.486 -6.816 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.055 1.902 -7.655 1.00 0.00 C ATOM 1575 CG ASP A 99 -3.825 0.637 -8.491 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.118 0.719 -9.520 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.402 -0.422 -8.149 1.00 0.00 O ATOM 0 H ASP A 99 -4.053 1.348 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.004 1.930 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.033 1.843 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.074 2.769 -8.315 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.883 3.757 -4.719 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.888 5.081 -4.100 1.00 0.00 C ATOM 1584 C ILE A 100 -1.581 5.271 -3.346 1.00 0.00 C ATOM 1585 O ILE A 100 -1.019 4.341 -2.764 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.144 5.239 -3.199 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.348 5.653 -4.072 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.991 6.176 -1.978 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.597 7.155 -4.230 1.00 0.00 C ATOM 0 H ILE A 100 -2.802 2.997 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.951 5.866 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.305 4.260 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.212 5.224 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.246 5.202 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.929 6.208 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.199 5.802 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.736 7.179 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.469 7.315 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.775 7.599 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.725 7.622 -4.688 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.135 6.519 -3.342 1.00 0.00 N ATOM 1602 CA GLU A 101 -0.042 6.997 -2.514 1.00 0.00 C ATOM 1603 C GLU A 101 -0.505 8.326 -1.922 1.00 0.00 C ATOM 1604 O GLU A 101 -1.119 9.130 -2.623 1.00 0.00 O ATOM 1605 CB GLU A 101 1.238 7.128 -3.352 1.00 0.00 C ATOM 1606 CG GLU A 101 2.433 7.650 -2.535 1.00 0.00 C ATOM 1607 CD GLU A 101 2.739 6.803 -1.282 1.00 0.00 C ATOM 1608 OE1 GLU A 101 2.130 7.052 -0.213 1.00 0.00 O ATOM 1609 OE2 GLU A 101 3.605 5.904 -1.366 1.00 0.00 O ATOM 0 H GLU A 101 -1.537 7.247 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 101 0.204 6.304 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.490 6.156 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.052 7.802 -4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.317 7.673 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.233 8.677 -2.230 1.00 0.00 H new ATOM 1616 N ALA A 102 -0.267 8.551 -0.632 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.686 9.781 0.020 1.00 0.00 C ATOM 1618 C ALA A 102 0.286 10.915 -0.298 1.00 0.00 C ATOM 1619 O ALA A 102 1.467 10.694 -0.576 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.757 9.586 1.530 1.00 0.00 C ATOM 0 H ALA A 102 0.215 7.893 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.675 10.042 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.072 10.516 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.475 8.800 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.226 9.302 1.907 1.00 0.00 H new ATOM 1626 N ILE A 103 -0.211 12.141 -0.168 1.00 0.00 N ATOM 1627 CA ILE A 103 0.547 13.370 -0.345 1.00 0.00 C ATOM 1628 C ILE A 103 0.447 14.150 0.969 1.00 0.00 C ATOM 1629 O ILE A 103 -0.646 14.336 1.506 1.00 0.00 O ATOM 1630 CB ILE A 103 -0.012 14.158 -1.555 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.125 13.364 -2.878 1.00 0.00 C ATOM 1632 CG2 ILE A 103 0.690 15.521 -1.703 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.738 13.934 -4.009 1.00 0.00 C ATOM 0 H ILE A 103 -1.188 12.310 0.072 1.00 0.00 H new ATOM 0 HA ILE A 103 1.597 13.178 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.072 14.318 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.170 13.365 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.155 12.325 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.277 16.052 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.532 16.111 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.758 15.366 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.599 13.336 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.787 13.908 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.442 14.964 -4.209 1.00 0.00 H new ATOM 1645 N ASP A 104 1.602 14.629 1.447 1.00 0.00 N ATOM 1646 CA ASP A 104 1.752 15.505 2.613 1.00 0.00 C ATOM 1647 C ASP A 104 0.962 15.017 3.840 1.00 0.00 C ATOM 1648 O ASP A 104 0.289 15.793 4.524 1.00 0.00 O ATOM 1649 CB ASP A 104 1.450 16.959 2.215 1.00 0.00 C ATOM 1650 CG ASP A 104 1.784 17.964 3.334 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.871 17.868 3.948 1.00 0.00 O ATOM 1652 OD2 ASP A 104 0.988 18.904 3.565 1.00 0.00 O ATOM 0 H ASP A 104 2.497 14.406 1.011 1.00 0.00 H new ATOM 0 HA ASP A 104 2.791 15.465 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.021 17.213 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.395 17.049 1.955 1.00 0.00 H new ATOM 1657 N VAL A 105 1.011 13.705 4.097 1.00 0.00 N ATOM 1658 CA VAL A 105 0.263 13.064 5.180 1.00 0.00 C ATOM 1659 C VAL A 105 1.192 12.720 6.356 1.00 0.00 C ATOM 1660 O VAL A 105 2.417 12.832 6.246 1.00 0.00 O ATOM 1661 CB VAL A 105 -0.552 11.879 4.612 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.209 10.544 4.555 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.888 11.729 5.343 1.00 0.00 C ATOM 0 H VAL A 105 1.577 13.054 3.553 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.468 13.751 5.606 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.744 12.137 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.441 9.772 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.089 10.653 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.520 10.259 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.440 10.888 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.705 11.550 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.472 12.642 5.225 1.00 0.00 H new ATOM 1673 N ASP A 106 0.608 12.334 7.495 1.00 0.00 N ATOM 1674 CA ASP A 106 1.357 11.971 8.697 1.00 0.00 C ATOM 1675 C ASP A 106 2.047 10.613 8.530 1.00 0.00 C ATOM 1676 O ASP A 106 1.652 9.793 7.698 1.00 0.00 O ATOM 1677 CB ASP A 106 0.457 11.996 9.946 1.00 0.00 C ATOM 1678 CG ASP A 106 0.108 10.599 10.481 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -0.762 9.927 9.886 1.00 0.00 O ATOM 1680 OD2 ASP A 106 0.722 10.179 11.486 1.00 0.00 O ATOM 0 H ASP A 106 -0.403 12.265 7.607 1.00 0.00 H new ATOM 0 HA ASP A 106 2.136 12.720 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.956 12.563 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.465 12.526 9.708 1.00 0.00 H new ATOM 1685 N ASP A 107 3.065 10.369 9.355 1.00 0.00 N ATOM 1686 CA ASP A 107 3.873 9.153 9.319 1.00 0.00 C ATOM 1687 C ASP A 107 3.035 7.883 9.427 1.00 0.00 C ATOM 1688 O ASP A 107 3.329 6.925 8.720 1.00 0.00 O ATOM 1689 CB ASP A 107 4.914 9.190 10.441 1.00 0.00 C ATOM 1690 CG ASP A 107 5.771 7.913 10.454 1.00 0.00 C ATOM 1691 OD1 ASP A 107 6.661 7.772 9.585 1.00 0.00 O ATOM 1692 OD2 ASP A 107 5.604 7.078 11.371 1.00 0.00 O ATOM 0 H ASP A 107 3.356 11.024 10.081 1.00 0.00 H new ATOM 0 HA ASP A 107 4.368 9.125 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.558 10.061 10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.412 9.303 11.402 1.00 0.00 H new ATOM 1697 N ASP A 108 1.987 7.858 10.256 1.00 0.00 N ATOM 1698 CA ASP A 108 1.206 6.644 10.481 1.00 0.00 C ATOM 1699 C ASP A 108 0.337 6.340 9.258 1.00 0.00 C ATOM 1700 O ASP A 108 0.319 5.206 8.779 1.00 0.00 O ATOM 1701 CB ASP A 108 0.349 6.778 11.754 1.00 0.00 C ATOM 1702 CG ASP A 108 0.220 5.477 12.566 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.170 4.662 12.598 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -0.803 5.312 13.267 1.00 0.00 O ATOM 0 H ASP A 108 1.661 8.669 10.782 1.00 0.00 H new ATOM 0 HA ASP A 108 1.891 5.809 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.782 7.549 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.648 7.119 11.474 1.00 0.00 H new ATOM 1709 N THR A 109 -0.332 7.353 8.697 1.00 0.00 N ATOM 1710 CA THR A 109 -1.119 7.215 7.477 1.00 0.00 C ATOM 1711 C THR A 109 -0.215 6.758 6.326 1.00 0.00 C ATOM 1712 O THR A 109 -0.552 5.801 5.623 1.00 0.00 O ATOM 1713 CB THR A 109 -1.847 8.546 7.186 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.581 8.953 8.324 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.861 8.447 6.047 1.00 0.00 C ATOM 0 H THR A 109 -0.340 8.297 9.083 1.00 0.00 H new ATOM 0 HA THR A 109 -1.885 6.449 7.596 1.00 0.00 H new ATOM 0 HB THR A 109 -1.062 9.251 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.034 9.559 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.335 9.417 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.352 8.146 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.621 7.707 6.299 1.00 0.00 H new ATOM 1723 N GLN A 110 0.955 7.385 6.158 1.00 0.00 N ATOM 1724 CA GLN A 110 1.875 7.003 5.100 1.00 0.00 C ATOM 1725 C GLN A 110 2.375 5.572 5.337 1.00 0.00 C ATOM 1726 O GLN A 110 2.433 4.791 4.391 1.00 0.00 O ATOM 1727 CB GLN A 110 3.019 8.029 4.992 1.00 0.00 C ATOM 1728 CG GLN A 110 3.561 8.156 3.557 1.00 0.00 C ATOM 1729 CD GLN A 110 4.243 6.881 3.057 1.00 0.00 C ATOM 1730 OE1 GLN A 110 5.196 6.393 3.660 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.780 6.310 1.958 1.00 0.00 N ATOM 0 H GLN A 110 1.279 8.155 6.743 1.00 0.00 H new ATOM 0 HA GLN A 110 1.360 7.007 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.663 9.002 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.830 7.736 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.740 8.408 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.272 8.981 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.988 6.722 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.214 5.458 1.604 1.00 0.00 H new ATOM 1740 N GLU A 111 2.673 5.188 6.581 1.00 0.00 N ATOM 1741 CA GLU A 111 3.123 3.841 6.906 1.00 0.00 C ATOM 1742 C GLU A 111 2.085 2.802 6.535 1.00 0.00 C ATOM 1743 O GLU A 111 2.452 1.797 5.943 1.00 0.00 O ATOM 1744 CB GLU A 111 3.462 3.704 8.397 1.00 0.00 C ATOM 1745 CG GLU A 111 4.950 3.955 8.631 1.00 0.00 C ATOM 1746 CD GLU A 111 5.817 2.811 8.059 1.00 0.00 C ATOM 1747 OE1 GLU A 111 5.607 1.630 8.413 1.00 0.00 O ATOM 1748 OE2 GLU A 111 6.718 3.061 7.228 1.00 0.00 O ATOM 0 H GLU A 111 2.607 5.807 7.389 1.00 0.00 H new ATOM 0 HA GLU A 111 4.025 3.667 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.872 4.413 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.196 2.707 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.238 4.898 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.139 4.056 9.700 1.00 0.00 H new ATOM 1755 N ALA A 112 0.809 3.041 6.833 1.00 0.00 N ATOM 1756 CA ALA A 112 -0.260 2.112 6.472 1.00 0.00 C ATOM 1757 C ALA A 112 -0.247 1.830 4.966 1.00 0.00 C ATOM 1758 O ALA A 112 -0.378 0.685 4.533 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.615 2.699 6.874 1.00 0.00 C ATOM 0 H ALA A 112 0.489 3.875 7.326 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.097 1.174 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.408 2.002 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.633 2.868 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.770 3.645 6.355 1.00 0.00 H new ATOM 1765 N ILE A 113 -0.077 2.890 4.177 1.00 0.00 N ATOM 1766 CA ILE A 113 -0.100 2.832 2.724 1.00 0.00 C ATOM 1767 C ILE A 113 1.156 2.113 2.225 1.00 0.00 C ATOM 1768 O ILE A 113 1.045 1.155 1.463 1.00 0.00 O ATOM 1769 CB ILE A 113 -0.243 4.274 2.195 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.629 4.823 2.598 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -0.047 4.366 0.676 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.698 6.344 2.585 1.00 0.00 C ATOM 0 H ILE A 113 0.083 3.829 4.541 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.946 2.257 2.348 1.00 0.00 H new ATOM 0 HB ILE A 113 0.545 4.878 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.382 4.426 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.879 4.463 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.158 5.402 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.950 4.011 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.794 3.750 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.698 6.665 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.968 6.747 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.478 6.710 1.582 1.00 0.00 H new ATOM 1784 N ALA A 114 2.342 2.532 2.671 1.00 0.00 N ATOM 1785 CA ALA A 114 3.605 1.926 2.270 1.00 0.00 C ATOM 1786 C ALA A 114 3.633 0.441 2.640 1.00 0.00 C ATOM 1787 O ALA A 114 3.959 -0.399 1.807 1.00 0.00 O ATOM 1788 CB ALA A 114 4.763 2.673 2.941 1.00 0.00 C ATOM 0 H ALA A 114 2.449 3.307 3.325 1.00 0.00 H new ATOM 0 HA ALA A 114 3.710 2.002 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.709 2.221 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.748 3.719 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.657 2.611 4.024 1.00 0.00 H new ATOM 1794 N ASP A 115 3.252 0.114 3.874 1.00 0.00 N ATOM 1795 CA ASP A 115 3.236 -1.249 4.401 1.00 0.00 C ATOM 1796 C ASP A 115 2.331 -2.151 3.564 1.00 0.00 C ATOM 1797 O ASP A 115 2.716 -3.271 3.217 1.00 0.00 O ATOM 1798 CB ASP A 115 2.783 -1.245 5.864 1.00 0.00 C ATOM 1799 CG ASP A 115 3.041 -2.600 6.523 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.194 -2.808 6.966 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.097 -3.409 6.637 1.00 0.00 O ATOM 0 H ASP A 115 2.938 0.808 4.552 1.00 0.00 H new ATOM 0 HA ASP A 115 4.249 -1.647 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.313 -0.465 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.721 -1.007 5.919 1.00 0.00 H new ATOM 1806 N TRP A 116 1.168 -1.623 3.163 1.00 0.00 N ATOM 1807 CA TRP A 116 0.269 -2.313 2.250 1.00 0.00 C ATOM 1808 C TRP A 116 0.936 -2.492 0.889 1.00 0.00 C ATOM 1809 O TRP A 116 0.861 -3.578 0.327 1.00 0.00 O ATOM 1810 CB TRP A 116 -1.067 -1.570 2.091 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.975 -2.184 1.064 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.219 -1.696 -0.175 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.680 -3.464 1.124 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.010 -2.584 -0.878 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.308 -3.702 -0.133 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.827 -4.465 2.105 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.027 -4.875 -0.405 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.569 -5.635 1.856 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.160 -5.848 0.599 1.00 0.00 C ATOM 0 H TRP A 116 0.831 -0.709 3.465 1.00 0.00 H new ATOM 0 HA TRP A 116 0.053 -3.292 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.580 -1.551 3.053 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.867 -0.535 1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.851 -0.755 -0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.334 -2.430 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.360 -4.331 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.474 -5.028 -1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.685 -6.373 2.636 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.714 -6.755 0.406 1.00 0.00 H new ATOM 1830 N LEU A 117 1.601 -1.466 0.352 1.00 0.00 N ATOM 1831 CA LEU A 117 2.219 -1.532 -0.967 1.00 0.00 C ATOM 1832 C LEU A 117 3.339 -2.577 -1.014 1.00 0.00 C ATOM 1833 O LEU A 117 3.472 -3.249 -2.036 1.00 0.00 O ATOM 1834 CB LEU A 117 2.719 -0.148 -1.415 1.00 0.00 C ATOM 1835 CG LEU A 117 1.578 0.818 -1.803 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.117 2.249 -1.888 1.00 0.00 C ATOM 1837 CD2 LEU A 117 0.926 0.442 -3.140 1.00 0.00 C ATOM 0 H LEU A 117 1.724 -0.569 0.822 1.00 0.00 H new ATOM 0 HA LEU A 117 1.453 -1.851 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.304 0.297 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.388 -0.269 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 117 0.815 0.745 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.308 2.927 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.524 2.542 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.902 2.298 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.130 1.151 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.675 0.470 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.509 -0.563 -3.071 1.00 0.00 H new ATOM 1849 N TYR A 118 4.108 -2.780 0.062 1.00 0.00 N ATOM 1850 CA TYR A 118 5.100 -3.857 0.096 1.00 0.00 C ATOM 1851 C TYR A 118 4.417 -5.226 0.068 1.00 0.00 C ATOM 1852 O TYR A 118 4.841 -6.103 -0.682 1.00 0.00 O ATOM 1853 CB TYR A 118 6.015 -3.748 1.323 1.00 0.00 C ATOM 1854 CG TYR A 118 6.880 -2.503 1.350 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.909 -2.319 0.406 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.640 -1.513 2.315 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.676 -1.138 0.418 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.379 -0.323 2.325 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.408 -0.129 1.375 1.00 0.00 C ATOM 1860 OH TYR A 118 9.127 1.030 1.392 1.00 0.00 O ATOM 0 H TYR A 118 4.063 -2.218 0.912 1.00 0.00 H new ATOM 0 HA TYR A 118 5.720 -3.753 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.400 -3.768 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.661 -4.625 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.110 -3.085 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 118 5.875 -1.671 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 118 9.469 -1.002 -0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.164 0.443 3.055 1.00 0.00 H new ATOM 0 HH TYR A 118 8.803 1.605 2.116 1.00 0.00 H new ATOM 1870 N TRP A 119 3.347 -5.416 0.844 1.00 0.00 N ATOM 1871 CA TRP A 119 2.573 -6.656 0.849 1.00 0.00 C ATOM 1872 C TRP A 119 1.897 -6.901 -0.509 1.00 0.00 C ATOM 1873 O TRP A 119 1.865 -8.031 -0.997 1.00 0.00 O ATOM 1874 CB TRP A 119 1.562 -6.581 1.994 1.00 0.00 C ATOM 1875 CG TRP A 119 0.431 -7.560 1.974 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.774 -7.330 1.408 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.338 -8.890 2.574 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.615 -8.391 1.656 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.997 -9.367 2.406 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.231 -9.727 3.278 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.430 -10.593 2.937 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.807 -10.959 3.812 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.522 -11.390 3.651 1.00 0.00 C ATOM 0 H TRP A 119 2.993 -4.709 1.489 1.00 0.00 H new ATOM 0 HA TRP A 119 3.233 -7.508 1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.103 -6.710 2.931 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.139 -5.577 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.038 -6.447 0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.578 -8.448 1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.257 -9.417 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.450 -10.919 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.509 -11.579 4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.842 -12.330 4.075 1.00 0.00 H new ATOM 1894 N LEU A 120 1.406 -5.845 -1.156 1.00 0.00 N ATOM 1895 CA LEU A 120 0.808 -5.872 -2.482 1.00 0.00 C ATOM 1896 C LEU A 120 1.854 -6.335 -3.494 1.00 0.00 C ATOM 1897 O LEU A 120 1.620 -7.299 -4.225 1.00 0.00 O ATOM 1898 CB LEU A 120 0.271 -4.456 -2.764 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.536 -4.201 -4.043 1.00 0.00 C ATOM 1900 CD1 LEU A 120 0.291 -4.187 -5.331 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -1.725 -5.153 -4.175 1.00 0.00 C ATOM 0 H LEU A 120 1.416 -4.909 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.021 -6.576 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.355 -4.168 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.124 -3.778 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.912 -3.185 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.364 -4.000 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.043 -3.400 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.784 -5.151 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.266 -4.934 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.366 -6.182 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.392 -5.023 -3.323 1.00 0.00 H new ATOM 1913 N ALA A 121 3.041 -5.717 -3.475 1.00 0.00 N ATOM 1914 CA ALA A 121 4.175 -6.123 -4.296 1.00 0.00 C ATOM 1915 C ALA A 121 4.639 -7.550 -3.973 1.00 0.00 C ATOM 1916 O ALA A 121 5.242 -8.200 -4.828 1.00 0.00 O ATOM 1917 CB ALA A 121 5.329 -5.130 -4.114 1.00 0.00 C ATOM 0 H ALA A 121 3.238 -4.912 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 121 3.852 -6.119 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.174 -5.438 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.003 -4.135 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.631 -5.111 -3.067 1.00 0.00 H new ATOM 1923 N ARG A 122 4.353 -8.061 -2.767 1.00 0.00 N ATOM 1924 CA ARG A 122 4.676 -9.431 -2.378 1.00 0.00 C ATOM 1925 C ARG A 122 3.853 -10.467 -3.143 1.00 0.00 C ATOM 1926 O ARG A 122 4.198 -11.647 -3.075 1.00 0.00 O ATOM 1927 CB ARG A 122 4.523 -9.638 -0.855 1.00 0.00 C ATOM 1928 CG ARG A 122 5.742 -10.337 -0.230 1.00 0.00 C ATOM 1929 CD ARG A 122 6.846 -9.332 0.133 1.00 0.00 C ATOM 1930 NE ARG A 122 6.527 -8.627 1.386 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.158 -7.572 1.907 1.00 0.00 C ATOM 1932 NH1 ARG A 122 8.129 -6.927 1.272 1.00 0.00 N ATOM 1933 NH2 ARG A 122 6.806 -7.150 3.108 1.00 0.00 N ATOM 0 H ARG A 122 3.888 -7.527 -2.033 1.00 0.00 H new ATOM 0 HA ARG A 122 5.722 -9.585 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.376 -8.671 -0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.629 -10.230 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.433 -10.878 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.136 -11.075 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.797 -9.853 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.965 -8.610 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 122 5.733 -8.986 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.423 -7.233 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.581 -6.126 1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.065 -7.628 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.276 -6.346 3.524 1.00 0.00 H new