USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 106 TYR OH : rot -158:sc= 0.578 USER MOD Set 1.2: A 108 SER OG : rot -102:sc= 0.245! USER MOD Set 2.1: A 68 CYS SG : rot 36:sc= -1.79 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -159:sc= -0.104 (180deg=-0.626) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.051 (180deg=-0.506) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 102:sc= 1.32 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0189 (180deg=-0.282) USER MOD Single : A 39 CYS SG : rot -79:sc= 0.0806! USER MOD Single : A 40 SER OG : rot -49:sc= -0.33 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -179:sc= -0.673 USER MOD Single : A 63 SER OG : rot -28:sc= 0.275 USER MOD Single : A 64 THR OG1 : rot 76:sc= 0.571 USER MOD Single : A 66 SER OG : rot 180:sc= -0.305 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.69 USER MOD Single : A 110 SER OG : rot -113:sc= -0.0608 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 3.296 -21.099 6.227 1.00 0.00 N ATOM 293 CA THR A 18 3.074 -19.741 5.737 1.00 0.00 C ATOM 294 C THR A 18 4.001 -18.772 6.455 1.00 0.00 C ATOM 295 O THR A 18 4.584 -19.109 7.482 1.00 0.00 O ATOM 296 CB THR A 18 1.620 -19.331 5.979 1.00 0.00 C ATOM 297 OG1 THR A 18 1.448 -18.981 7.344 1.00 0.00 O ATOM 298 CG2 THR A 18 0.694 -20.495 5.628 1.00 0.00 C ATOM 0 HA THR A 18 3.283 -19.714 4.668 1.00 0.00 H new ATOM 0 HB THR A 18 1.376 -18.474 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.517 -18.717 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.341 -20.201 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.825 -20.761 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.937 -21.354 6.253 1.00 0.00 H new ATOM 306 N ARG A 19 4.140 -17.572 5.899 1.00 0.00 N ATOM 307 CA ARG A 19 5.014 -16.548 6.483 1.00 0.00 C ATOM 308 C ARG A 19 4.243 -15.262 6.707 1.00 0.00 C ATOM 309 O ARG A 19 3.068 -15.166 6.368 1.00 0.00 O ATOM 310 CB ARG A 19 6.198 -16.284 5.551 1.00 0.00 C ATOM 311 CG ARG A 19 7.126 -17.501 5.547 1.00 0.00 C ATOM 312 CD ARG A 19 8.277 -17.263 4.569 1.00 0.00 C ATOM 313 NE ARG A 19 9.179 -18.409 4.561 1.00 0.00 N ATOM 314 CZ ARG A 19 10.224 -18.453 3.743 1.00 0.00 C ATOM 315 NH1 ARG A 19 10.459 -17.461 2.927 1.00 0.00 N ATOM 316 NH2 ARG A 19 11.019 -19.489 3.755 1.00 0.00 N ATOM 0 H ARG A 19 3.662 -17.281 5.046 1.00 0.00 H new ATOM 0 HA ARG A 19 5.383 -16.909 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.841 -16.082 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.743 -15.399 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.517 -17.676 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.570 -18.394 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.883 -17.095 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.823 -16.363 4.852 1.00 0.00 H new ATOM 0 HE ARG A 19 9.004 -19.189 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.839 -16.651 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.262 -17.496 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.837 -20.264 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.822 -19.523 3.127 1.00 0.00 H new ATOM 330 N LYS A 20 4.911 -14.275 7.291 1.00 0.00 N ATOM 331 CA LYS A 20 4.277 -12.985 7.568 1.00 0.00 C ATOM 332 C LYS A 20 5.209 -11.849 7.186 1.00 0.00 C ATOM 333 O LYS A 20 6.412 -11.917 7.420 1.00 0.00 O ATOM 334 CB LYS A 20 3.936 -12.881 9.053 1.00 0.00 C ATOM 335 CG LYS A 20 2.872 -13.922 9.404 1.00 0.00 C ATOM 336 CD LYS A 20 2.530 -13.818 10.891 1.00 0.00 C ATOM 337 CE LYS A 20 1.410 -14.807 11.226 1.00 0.00 C ATOM 338 NZ LYS A 20 1.877 -16.197 10.959 1.00 0.00 N ATOM 0 H LYS A 20 5.887 -14.339 7.582 1.00 0.00 H new ATOM 0 HA LYS A 20 3.363 -12.913 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.830 -13.042 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.572 -11.880 9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.978 -13.761 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.236 -14.923 9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.412 -14.033 11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.218 -12.802 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.120 -14.704 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.526 -14.588 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.262 -16.872 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.841 -16.385 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.854 -16.306 11.297 1.00 0.00 H new ATOM 352 N ILE A 21 4.639 -10.801 6.595 1.00 0.00 N ATOM 353 CA ILE A 21 5.420 -9.637 6.182 1.00 0.00 C ATOM 354 C ILE A 21 5.072 -8.434 7.043 1.00 0.00 C ATOM 355 O ILE A 21 3.901 -8.161 7.305 1.00 0.00 O ATOM 356 CB ILE A 21 5.148 -9.315 4.694 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.136 -10.092 3.800 1.00 0.00 C ATOM 358 CG2 ILE A 21 5.298 -7.797 4.428 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.477 -9.336 3.720 1.00 0.00 C ATOM 0 H ILE A 21 3.642 -10.734 6.392 1.00 0.00 H new ATOM 0 HA ILE A 21 6.478 -9.866 6.309 1.00 0.00 H new ATOM 0 HB ILE A 21 4.127 -9.615 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.296 -11.092 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.717 -10.214 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.103 -7.591 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.586 -7.248 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.311 -7.482 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.170 -9.890 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.312 -8.345 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.899 -9.237 4.720 1.00 0.00 H new ATOM 371 N LYS A 22 6.108 -7.707 7.460 1.00 0.00 N ATOM 372 CA LYS A 22 5.918 -6.509 8.274 1.00 0.00 C ATOM 373 C LYS A 22 6.628 -5.313 7.642 1.00 0.00 C ATOM 374 O LYS A 22 6.472 -4.186 8.102 1.00 0.00 O ATOM 375 CB LYS A 22 6.464 -6.746 9.673 1.00 0.00 C ATOM 376 CG LYS A 22 5.626 -7.825 10.359 1.00 0.00 C ATOM 377 CD LYS A 22 6.171 -8.074 11.765 1.00 0.00 C ATOM 378 CE LYS A 22 5.331 -9.151 12.456 1.00 0.00 C ATOM 379 NZ LYS A 22 5.863 -9.391 13.827 1.00 0.00 N ATOM 0 H LYS A 22 7.082 -7.926 7.249 1.00 0.00 H new ATOM 0 HA LYS A 22 4.851 -6.293 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.508 -7.056 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.434 -5.822 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.583 -7.512 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.654 -8.747 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.213 -8.389 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.146 -7.151 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.289 -8.837 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.357 -10.074 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.293 -10.123 14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.851 -9.709 13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.817 -8.509 14.377 1.00 0.00 H new ATOM 393 N ILE A 23 7.404 -5.566 6.585 1.00 0.00 N ATOM 394 CA ILE A 23 8.138 -4.499 5.897 1.00 0.00 C ATOM 395 C ILE A 23 7.680 -4.384 4.457 1.00 0.00 C ATOM 396 O ILE A 23 7.651 -5.370 3.725 1.00 0.00 O ATOM 397 CB ILE A 23 9.642 -4.786 5.939 1.00 0.00 C ATOM 398 CG1 ILE A 23 10.110 -4.896 7.416 1.00 0.00 C ATOM 399 CG2 ILE A 23 10.394 -3.646 5.244 1.00 0.00 C ATOM 400 CD1 ILE A 23 10.094 -6.361 7.856 1.00 0.00 C ATOM 0 H ILE A 23 7.540 -6.496 6.188 1.00 0.00 H new ATOM 0 HA ILE A 23 7.937 -3.557 6.406 1.00 0.00 H new ATOM 0 HB ILE A 23 9.849 -5.725 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.115 -4.486 7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.457 -4.306 8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.465 -3.847 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.065 -3.572 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.187 -2.707 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.423 -6.433 8.893 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.082 -6.756 7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.766 -6.939 7.221 1.00 0.00 H new ATOM 412 N THR A 24 7.321 -3.169 4.054 1.00 0.00 N ATOM 413 CA THR A 24 6.861 -2.921 2.688 1.00 0.00 C ATOM 414 C THR A 24 7.564 -1.704 2.100 1.00 0.00 C ATOM 415 O THR A 24 7.886 -0.752 2.812 1.00 0.00 O ATOM 416 CB THR A 24 5.350 -2.694 2.682 1.00 0.00 C ATOM 417 OG1 THR A 24 5.041 -1.528 3.434 1.00 0.00 O ATOM 418 CG2 THR A 24 4.646 -3.903 3.304 1.00 0.00 C ATOM 0 H THR A 24 7.339 -2.342 4.650 1.00 0.00 H new ATOM 0 HA THR A 24 7.100 -3.793 2.078 1.00 0.00 H new ATOM 0 HB THR A 24 5.009 -2.565 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.072 -1.382 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.568 -3.739 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.880 -4.797 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.988 -4.035 4.331 1.00 0.00 H new ATOM 426 N PHE A 25 7.803 -1.745 0.794 1.00 0.00 N ATOM 427 CA PHE A 25 8.473 -0.642 0.114 1.00 0.00 C ATOM 428 C PHE A 25 7.651 0.632 0.245 1.00 0.00 C ATOM 429 O PHE A 25 6.441 0.622 0.032 1.00 0.00 O ATOM 430 CB PHE A 25 8.660 -0.975 -1.364 1.00 0.00 C ATOM 431 CG PHE A 25 9.435 0.131 -2.038 1.00 0.00 C ATOM 432 CD1 PHE A 25 10.834 0.147 -1.971 1.00 0.00 C ATOM 433 CD2 PHE A 25 8.756 1.145 -2.728 1.00 0.00 C ATOM 434 CE1 PHE A 25 11.554 1.172 -2.595 1.00 0.00 C ATOM 435 CE2 PHE A 25 9.476 2.170 -3.351 1.00 0.00 C ATOM 436 CZ PHE A 25 10.875 2.185 -3.284 1.00 0.00 C ATOM 0 H PHE A 25 7.545 -2.524 0.188 1.00 0.00 H new ATOM 0 HA PHE A 25 9.448 -0.490 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.191 -1.921 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.690 -1.098 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.358 -0.632 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.677 1.135 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.633 1.182 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.953 2.950 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.430 2.978 -3.764 1.00 0.00 H new ATOM 446 N ALA A 26 8.319 1.728 0.606 1.00 0.00 N ATOM 447 CA ALA A 26 7.645 3.017 0.770 1.00 0.00 C ATOM 448 C ALA A 26 8.153 4.026 -0.252 1.00 0.00 C ATOM 449 O ALA A 26 9.342 4.065 -0.568 1.00 0.00 O ATOM 450 CB ALA A 26 7.897 3.555 2.177 1.00 0.00 C ATOM 0 H ALA A 26 9.322 1.750 0.790 1.00 0.00 H new ATOM 0 HA ALA A 26 6.576 2.868 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.394 4.515 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.509 2.849 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.968 3.686 2.330 1.00 0.00 H new ATOM 456 N LEU A 27 7.238 4.839 -0.771 1.00 0.00 N ATOM 457 CA LEU A 27 7.598 5.848 -1.758 1.00 0.00 C ATOM 458 C LEU A 27 8.532 6.883 -1.142 1.00 0.00 C ATOM 459 O LEU A 27 9.492 7.321 -1.776 1.00 0.00 O ATOM 460 CB LEU A 27 6.335 6.540 -2.285 1.00 0.00 C ATOM 461 CG LEU A 27 5.676 5.658 -3.348 1.00 0.00 C ATOM 462 CD1 LEU A 27 5.336 4.293 -2.742 1.00 0.00 C ATOM 463 CD2 LEU A 27 4.395 6.330 -3.844 1.00 0.00 C ATOM 0 H LEU A 27 6.248 4.819 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 27 8.111 5.358 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.639 6.723 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.590 7.511 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 27 6.362 5.522 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.867 3.665 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.249 3.814 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.650 4.427 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.925 5.703 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.709 6.466 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.637 7.301 -4.276 1.00 0.00 H new ATOM 475 N ASP A 28 8.238 7.276 0.096 1.00 0.00 N ATOM 476 CA ASP A 28 9.054 8.270 0.789 1.00 0.00 C ATOM 477 C ASP A 28 9.049 8.016 2.291 1.00 0.00 C ATOM 478 O ASP A 28 8.266 7.209 2.791 1.00 0.00 O ATOM 479 CB ASP A 28 8.518 9.675 0.507 1.00 0.00 C ATOM 480 CG ASP A 28 9.548 10.722 0.924 1.00 0.00 C ATOM 481 OD1 ASP A 28 10.719 10.384 0.985 1.00 0.00 O ATOM 482 OD2 ASP A 28 9.149 11.845 1.182 1.00 0.00 O ATOM 0 H ASP A 28 7.447 6.924 0.636 1.00 0.00 H new ATOM 0 HA ASP A 28 10.077 8.190 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.290 9.780 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.586 9.833 1.050 1.00 0.00 H new ATOM 487 N ALA A 29 9.932 8.706 3.005 1.00 0.00 N ATOM 488 CA ALA A 29 10.023 8.543 4.454 1.00 0.00 C ATOM 489 C ALA A 29 8.682 8.861 5.111 1.00 0.00 C ATOM 490 O ALA A 29 8.191 8.095 5.944 1.00 0.00 O ATOM 491 CB ALA A 29 11.104 9.471 5.013 1.00 0.00 C ATOM 0 H ALA A 29 10.590 9.378 2.610 1.00 0.00 H new ATOM 0 HA ALA A 29 10.285 7.508 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.168 9.346 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.065 9.224 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.850 10.506 4.782 1.00 0.00 H new ATOM 497 N THR A 30 8.094 9.988 4.729 1.00 0.00 N ATOM 498 CA THR A 30 6.808 10.388 5.292 1.00 0.00 C ATOM 499 C THR A 30 5.744 9.327 5.007 1.00 0.00 C ATOM 500 O THR A 30 4.991 8.919 5.903 1.00 0.00 O ATOM 501 CB THR A 30 6.372 11.728 4.686 1.00 0.00 C ATOM 502 OG1 THR A 30 7.300 12.744 5.051 1.00 0.00 O ATOM 503 CG2 THR A 30 4.974 12.092 5.187 1.00 0.00 C ATOM 0 H THR A 30 8.480 10.635 4.041 1.00 0.00 H new ATOM 0 HA THR A 30 6.918 10.493 6.371 1.00 0.00 H new ATOM 0 HB THR A 30 6.348 11.641 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.020 13.598 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.669 13.045 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.268 11.316 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.987 12.175 6.274 1.00 0.00 H new ATOM 511 N PHE A 31 5.693 8.874 3.760 1.00 0.00 N ATOM 512 CA PHE A 31 4.729 7.859 3.372 1.00 0.00 C ATOM 513 C PHE A 31 5.053 6.532 4.044 1.00 0.00 C ATOM 514 O PHE A 31 4.165 5.723 4.296 1.00 0.00 O ATOM 515 CB PHE A 31 4.730 7.689 1.852 1.00 0.00 C ATOM 516 CG PHE A 31 3.624 6.741 1.451 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.287 7.107 1.654 1.00 0.00 C ATOM 518 CD2 PHE A 31 3.933 5.502 0.877 1.00 0.00 C ATOM 519 CE1 PHE A 31 1.257 6.231 1.280 1.00 0.00 C ATOM 520 CE2 PHE A 31 2.906 4.626 0.506 1.00 0.00 C ATOM 521 CZ PHE A 31 1.569 4.990 0.706 1.00 0.00 C ATOM 0 H PHE A 31 6.304 9.192 3.008 1.00 0.00 H new ATOM 0 HA PHE A 31 3.738 8.180 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.589 8.655 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.693 7.303 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.050 8.062 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.964 5.222 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.226 6.512 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.145 3.669 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.777 4.314 0.418 1.00 0.00 H new ATOM 531 N ASP A 32 6.331 6.314 4.333 1.00 0.00 N ATOM 532 CA ASP A 32 6.757 5.080 4.982 1.00 0.00 C ATOM 533 C ASP A 32 6.171 4.987 6.386 1.00 0.00 C ATOM 534 O ASP A 32 5.609 3.961 6.768 1.00 0.00 O ATOM 535 CB ASP A 32 8.284 5.032 5.058 1.00 0.00 C ATOM 536 CG ASP A 32 8.740 3.661 5.547 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.891 2.885 5.948 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.933 3.407 5.504 1.00 0.00 O ATOM 0 H ASP A 32 7.085 6.970 4.130 1.00 0.00 H new ATOM 0 HA ASP A 32 6.397 4.236 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.712 5.238 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.647 5.807 5.733 1.00 0.00 H new ATOM 543 N SER A 33 6.302 6.071 7.148 1.00 0.00 N ATOM 544 CA SER A 33 5.773 6.101 8.506 1.00 0.00 C ATOM 545 C SER A 33 4.258 5.939 8.492 1.00 0.00 C ATOM 546 O SER A 33 3.696 5.176 9.282 1.00 0.00 O ATOM 547 CB SER A 33 6.139 7.423 9.181 1.00 0.00 C ATOM 548 OG SER A 33 5.347 7.591 10.349 1.00 0.00 O ATOM 0 H SER A 33 6.765 6.930 6.851 1.00 0.00 H new ATOM 0 HA SER A 33 6.212 5.275 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.197 7.430 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.974 8.253 8.494 1.00 0.00 H new ATOM 0 HG SER A 33 5.581 8.437 10.784 1.00 0.00 H new ATOM 554 N VAL A 34 3.601 6.663 7.587 1.00 0.00 N ATOM 555 CA VAL A 34 2.146 6.586 7.486 1.00 0.00 C ATOM 556 C VAL A 34 1.710 5.196 7.031 1.00 0.00 C ATOM 557 O VAL A 34 0.779 4.609 7.585 1.00 0.00 O ATOM 558 CB VAL A 34 1.639 7.633 6.494 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.124 7.495 6.330 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.968 9.031 7.022 1.00 0.00 C ATOM 0 H VAL A 34 4.044 7.299 6.924 1.00 0.00 H new ATOM 0 HA VAL A 34 1.721 6.780 8.471 1.00 0.00 H new ATOM 0 HB VAL A 34 2.122 7.482 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.235 8.242 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.112 6.499 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.362 7.646 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.608 9.780 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.484 9.179 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.047 9.131 7.138 1.00 0.00 H new ATOM 570 N LEU A 35 2.382 4.679 6.009 1.00 0.00 N ATOM 571 CA LEU A 35 2.051 3.366 5.483 1.00 0.00 C ATOM 572 C LEU A 35 2.280 2.291 6.540 1.00 0.00 C ATOM 573 O LEU A 35 1.458 1.392 6.713 1.00 0.00 O ATOM 574 CB LEU A 35 2.908 3.063 4.246 1.00 0.00 C ATOM 575 CG LEU A 35 2.626 1.637 3.742 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.128 1.476 3.444 1.00 0.00 C ATOM 577 CD2 LEU A 35 3.436 1.376 2.472 1.00 0.00 C ATOM 0 H LEU A 35 3.153 5.147 5.533 1.00 0.00 H new ATOM 0 HA LEU A 35 0.998 3.364 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.691 3.785 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.965 3.168 4.492 1.00 0.00 H new ATOM 0 HG LEU A 35 2.915 0.920 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.935 0.464 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.555 1.656 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.830 2.193 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.237 0.366 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.151 2.095 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.499 1.480 2.690 1.00 0.00 H new ATOM 589 N SER A 36 3.411 2.380 7.230 1.00 0.00 N ATOM 590 CA SER A 36 3.745 1.402 8.256 1.00 0.00 C ATOM 591 C SER A 36 2.684 1.397 9.347 1.00 0.00 C ATOM 592 O SER A 36 2.239 0.340 9.786 1.00 0.00 O ATOM 593 CB SER A 36 5.106 1.732 8.865 1.00 0.00 C ATOM 594 OG SER A 36 6.103 1.675 7.853 1.00 0.00 O ATOM 0 H SER A 36 4.107 3.114 7.099 1.00 0.00 H new ATOM 0 HA SER A 36 3.784 0.414 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.085 2.725 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.341 1.027 9.662 1.00 0.00 H new ATOM 0 HG SER A 36 6.336 2.584 7.572 1.00 0.00 H new ATOM 600 N LYS A 37 2.276 2.586 9.777 1.00 0.00 N ATOM 601 CA LYS A 37 1.260 2.706 10.814 1.00 0.00 C ATOM 602 C LYS A 37 -0.076 2.162 10.319 1.00 0.00 C ATOM 603 O LYS A 37 -0.842 1.576 11.087 1.00 0.00 O ATOM 604 CB LYS A 37 1.100 4.170 11.222 1.00 0.00 C ATOM 605 CG LYS A 37 0.129 4.269 12.400 1.00 0.00 C ATOM 606 CD LYS A 37 0.049 5.722 12.875 1.00 0.00 C ATOM 607 CE LYS A 37 -0.898 5.816 14.074 1.00 0.00 C ATOM 608 NZ LYS A 37 -2.293 5.541 13.628 1.00 0.00 N ATOM 0 H LYS A 37 2.631 3.475 9.425 1.00 0.00 H new ATOM 0 HA LYS A 37 1.578 2.123 11.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.067 4.589 11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.728 4.754 10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.859 3.918 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.463 3.627 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.040 6.080 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.306 6.361 12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.602 5.101 14.841 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.837 6.808 14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.961 5.863 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.480 6.048 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.414 4.519 13.475 1.00 0.00 H new ATOM 622 N ALA A 38 -0.357 2.372 9.037 1.00 0.00 N ATOM 623 CA ALA A 38 -1.612 1.907 8.455 1.00 0.00 C ATOM 624 C ALA A 38 -1.608 0.390 8.289 1.00 0.00 C ATOM 625 O ALA A 38 -2.251 -0.331 9.051 1.00 0.00 O ATOM 626 CB ALA A 38 -1.830 2.570 7.094 1.00 0.00 C ATOM 0 H ALA A 38 0.261 2.857 8.386 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.423 2.180 9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.768 2.219 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.870 3.652 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.007 2.312 6.428 1.00 0.00 H new ATOM 632 N CYS A 39 -0.888 -0.084 7.278 1.00 0.00 N ATOM 633 CA CYS A 39 -0.819 -1.517 7.012 1.00 0.00 C ATOM 634 C CYS A 39 -0.416 -2.280 8.265 1.00 0.00 C ATOM 635 O CYS A 39 -0.998 -3.315 8.583 1.00 0.00 O ATOM 636 CB CYS A 39 0.192 -1.792 5.898 1.00 0.00 C ATOM 637 SG CYS A 39 1.860 -1.398 6.490 1.00 0.00 S ATOM 0 H CYS A 39 -0.349 0.496 6.635 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.807 -1.855 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.139 -2.837 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.046 -1.192 5.020 1.00 0.00 H new ATOM 0 HG CYS A 39 2.045 -0.112 6.442 1.00 0.00 H new ATOM 643 N SER A 40 0.578 -1.761 8.977 1.00 0.00 N ATOM 644 CA SER A 40 1.053 -2.402 10.200 1.00 0.00 C ATOM 645 C SER A 40 1.731 -3.730 9.880 1.00 0.00 C ATOM 646 O SER A 40 2.929 -3.899 10.115 1.00 0.00 O ATOM 647 CB SER A 40 -0.124 -2.638 11.155 1.00 0.00 C ATOM 648 OG SER A 40 -1.031 -1.550 11.057 1.00 0.00 O ATOM 0 H SER A 40 1.070 -0.902 8.731 1.00 0.00 H new ATOM 0 HA SER A 40 1.780 -1.745 10.677 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.629 -3.571 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.237 -2.735 12.179 1.00 0.00 H new ATOM 0 HG SER A 40 -0.539 -0.706 11.132 1.00 0.00 H new ATOM 654 N GLU A 41 0.960 -4.663 9.343 1.00 0.00 N ATOM 655 CA GLU A 41 1.494 -5.975 8.994 1.00 0.00 C ATOM 656 C GLU A 41 0.448 -6.803 8.259 1.00 0.00 C ATOM 657 O GLU A 41 -0.752 -6.589 8.422 1.00 0.00 O ATOM 658 CB GLU A 41 1.931 -6.712 10.261 1.00 0.00 C ATOM 659 CG GLU A 41 0.739 -6.853 11.210 1.00 0.00 C ATOM 660 CD GLU A 41 1.178 -7.541 12.498 1.00 0.00 C ATOM 661 OE1 GLU A 41 1.884 -8.531 12.405 1.00 0.00 O ATOM 662 OE2 GLU A 41 0.802 -7.066 13.556 1.00 0.00 O ATOM 0 H GLU A 41 -0.032 -4.540 9.139 1.00 0.00 H new ATOM 0 HA GLU A 41 2.353 -5.834 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.323 -7.696 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.737 -6.166 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.325 -5.870 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.052 -7.430 10.731 1.00 0.00 H new ATOM 669 N PHE A 42 0.912 -7.752 7.447 1.00 0.00 N ATOM 670 CA PHE A 42 0.004 -8.614 6.690 1.00 0.00 C ATOM 671 C PHE A 42 0.570 -10.025 6.586 1.00 0.00 C ATOM 672 O PHE A 42 1.787 -10.220 6.551 1.00 0.00 O ATOM 673 CB PHE A 42 -0.213 -8.031 5.281 1.00 0.00 C ATOM 674 CG PHE A 42 -1.357 -7.045 5.306 1.00 0.00 C ATOM 675 CD1 PHE A 42 -2.670 -7.514 5.425 1.00 0.00 C ATOM 676 CD2 PHE A 42 -1.108 -5.672 5.215 1.00 0.00 C ATOM 677 CE1 PHE A 42 -3.737 -6.609 5.452 1.00 0.00 C ATOM 678 CE2 PHE A 42 -2.174 -4.767 5.239 1.00 0.00 C ATOM 679 CZ PHE A 42 -3.489 -5.234 5.357 1.00 0.00 C ATOM 0 H PHE A 42 1.903 -7.943 7.297 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.951 -8.661 7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.696 -7.538 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.427 -8.833 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.860 -8.575 5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.094 -5.311 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.750 -6.970 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.983 -3.707 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.311 -4.534 5.375 1.00 0.00 H new ATOM 689 N GLU A 43 -0.323 -11.007 6.533 1.00 0.00 N ATOM 690 CA GLU A 43 0.092 -12.396 6.424 1.00 0.00 C ATOM 691 C GLU A 43 0.527 -12.711 5.000 1.00 0.00 C ATOM 692 O GLU A 43 0.212 -11.971 4.068 1.00 0.00 O ATOM 693 CB GLU A 43 -1.058 -13.321 6.822 1.00 0.00 C ATOM 694 CG GLU A 43 -1.365 -13.144 8.309 1.00 0.00 C ATOM 695 CD GLU A 43 -2.516 -14.055 8.716 1.00 0.00 C ATOM 696 OE1 GLU A 43 -2.980 -14.804 7.874 1.00 0.00 O ATOM 697 OE2 GLU A 43 -2.918 -13.991 9.866 1.00 0.00 O ATOM 0 H GLU A 43 -1.333 -10.866 6.564 1.00 0.00 H new ATOM 0 HA GLU A 43 0.935 -12.557 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.943 -13.094 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.793 -14.358 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.480 -13.376 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.623 -12.105 8.514 1.00 0.00 H new ATOM 704 N VAL A 44 1.261 -13.806 4.836 1.00 0.00 N ATOM 705 CA VAL A 44 1.745 -14.215 3.515 1.00 0.00 C ATOM 706 C VAL A 44 1.592 -15.719 3.330 1.00 0.00 C ATOM 707 O VAL A 44 1.922 -16.502 4.221 1.00 0.00 O ATOM 708 CB VAL A 44 3.213 -13.823 3.363 1.00 0.00 C ATOM 709 CG1 VAL A 44 3.688 -14.156 1.946 1.00 0.00 C ATOM 710 CG2 VAL A 44 3.368 -12.322 3.612 1.00 0.00 C ATOM 0 H VAL A 44 1.535 -14.427 5.597 1.00 0.00 H new ATOM 0 HA VAL A 44 1.151 -13.710 2.753 1.00 0.00 H new ATOM 0 HB VAL A 44 3.812 -14.376 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.736 -13.876 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.578 -15.226 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.089 -13.604 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.416 -12.041 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.768 -11.769 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.031 -12.084 4.621 1.00 0.00 H new ATOM 720 N ASP A 45 1.096 -16.116 2.164 1.00 0.00 N ATOM 721 CA ASP A 45 0.907 -17.534 1.860 1.00 0.00 C ATOM 722 C ASP A 45 2.202 -18.151 1.342 1.00 0.00 C ATOM 723 O ASP A 45 3.144 -17.439 0.993 1.00 0.00 O ATOM 724 CB ASP A 45 -0.195 -17.703 0.814 1.00 0.00 C ATOM 725 CG ASP A 45 -1.549 -17.364 1.428 1.00 0.00 C ATOM 726 OD1 ASP A 45 -1.614 -17.250 2.641 1.00 0.00 O ATOM 727 OD2 ASP A 45 -2.498 -17.225 0.676 1.00 0.00 O ATOM 0 H ASP A 45 0.818 -15.482 1.415 1.00 0.00 H new ATOM 0 HA ASP A 45 0.617 -18.045 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.000 -17.054 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.201 -18.727 0.441 1.00 0.00 H new ATOM 732 N LYS A 46 2.245 -19.480 1.299 1.00 0.00 N ATOM 733 CA LYS A 46 3.434 -20.179 0.825 1.00 0.00 C ATOM 734 C LYS A 46 3.648 -19.928 -0.663 1.00 0.00 C ATOM 735 O LYS A 46 4.666 -19.364 -1.065 1.00 0.00 O ATOM 736 CB LYS A 46 3.284 -21.681 1.069 1.00 0.00 C ATOM 737 CG LYS A 46 4.589 -22.392 0.704 1.00 0.00 C ATOM 738 CD LYS A 46 4.461 -23.885 1.013 1.00 0.00 C ATOM 739 CE LYS A 46 5.772 -24.592 0.663 1.00 0.00 C ATOM 740 NZ LYS A 46 5.659 -26.040 0.997 1.00 0.00 N ATOM 0 H LYS A 46 1.478 -20.089 1.584 1.00 0.00 H new ATOM 0 HA LYS A 46 4.297 -19.801 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.036 -21.867 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.463 -22.077 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.811 -22.246 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.419 -21.963 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.227 -24.030 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.639 -24.316 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.993 -24.468 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.598 -24.144 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.550 -26.522 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.467 -26.148 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.881 -26.462 0.451 1.00 0.00 H new ATOM 754 N ASP A 47 2.682 -20.342 -1.479 1.00 0.00 N ATOM 755 CA ASP A 47 2.780 -20.154 -2.924 1.00 0.00 C ATOM 756 C ASP A 47 2.195 -18.807 -3.324 1.00 0.00 C ATOM 757 O ASP A 47 1.032 -18.714 -3.715 1.00 0.00 O ATOM 758 CB ASP A 47 2.023 -21.271 -3.646 1.00 0.00 C ATOM 759 CG ASP A 47 2.209 -21.134 -5.153 1.00 0.00 C ATOM 760 OD1 ASP A 47 2.775 -20.137 -5.574 1.00 0.00 O ATOM 761 OD2 ASP A 47 1.783 -22.027 -5.868 1.00 0.00 O ATOM 0 H ASP A 47 1.829 -20.806 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 47 3.832 -20.183 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.387 -22.243 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.963 -21.224 -3.396 1.00 0.00 H new ATOM 766 N VAL A 48 3.011 -17.761 -3.225 1.00 0.00 N ATOM 767 CA VAL A 48 2.572 -16.417 -3.582 1.00 0.00 C ATOM 768 C VAL A 48 3.739 -15.607 -4.123 1.00 0.00 C ATOM 769 O VAL A 48 4.834 -15.633 -3.569 1.00 0.00 O ATOM 770 CB VAL A 48 1.982 -15.726 -2.350 1.00 0.00 C ATOM 771 CG1 VAL A 48 3.098 -15.370 -1.367 1.00 0.00 C ATOM 772 CG2 VAL A 48 1.263 -14.448 -2.785 1.00 0.00 C ATOM 0 H VAL A 48 3.977 -17.819 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 48 1.809 -16.487 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 48 1.277 -16.400 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.670 -14.879 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.613 -16.279 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.808 -14.698 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.841 -13.952 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.972 -13.780 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.463 -14.700 -3.481 1.00 0.00 H new ATOM 782 N THR A 49 3.497 -14.874 -5.200 1.00 0.00 N ATOM 783 CA THR A 49 4.530 -14.042 -5.796 1.00 0.00 C ATOM 784 C THR A 49 4.225 -12.572 -5.528 1.00 0.00 C ATOM 785 O THR A 49 3.078 -12.181 -5.343 1.00 0.00 O ATOM 786 CB THR A 49 4.588 -14.300 -7.308 1.00 0.00 C ATOM 787 OG1 THR A 49 3.462 -13.711 -7.938 1.00 0.00 O ATOM 788 CG2 THR A 49 4.586 -15.809 -7.572 1.00 0.00 C ATOM 0 H THR A 49 2.596 -14.839 -5.678 1.00 0.00 H new ATOM 0 HA THR A 49 5.495 -14.289 -5.354 1.00 0.00 H new ATOM 0 HB THR A 49 5.500 -13.860 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.495 -13.890 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.627 -15.991 -8.646 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.454 -16.263 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.676 -16.248 -7.164 1.00 0.00 H new ATOM 796 N LEU A 50 5.270 -11.767 -5.524 1.00 0.00 N ATOM 797 CA LEU A 50 5.153 -10.327 -5.306 1.00 0.00 C ATOM 798 C LEU A 50 3.981 -9.760 -6.119 1.00 0.00 C ATOM 799 O LEU A 50 3.578 -8.609 -5.923 1.00 0.00 O ATOM 800 CB LEU A 50 6.461 -9.600 -5.725 1.00 0.00 C ATOM 801 CG LEU A 50 7.148 -10.360 -6.885 1.00 0.00 C ATOM 802 CD1 LEU A 50 7.802 -11.676 -6.380 1.00 0.00 C ATOM 803 CD2 LEU A 50 6.121 -10.662 -8.000 1.00 0.00 C ATOM 0 H LEU A 50 6.227 -12.087 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 50 4.976 -10.161 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.235 -8.579 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.138 -9.534 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 50 7.937 -9.727 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.277 -12.190 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.551 -11.443 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.037 -12.320 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.613 -11.197 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.316 -11.276 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.709 -9.726 -8.379 1.00 0.00 H new ATOM 815 N ASP A 51 3.457 -10.557 -7.052 1.00 0.00 N ATOM 816 CA ASP A 51 2.359 -10.113 -7.892 1.00 0.00 C ATOM 817 C ASP A 51 1.084 -9.948 -7.059 1.00 0.00 C ATOM 818 O ASP A 51 0.451 -8.881 -7.055 1.00 0.00 O ATOM 819 CB ASP A 51 2.115 -11.148 -8.998 1.00 0.00 C ATOM 820 CG ASP A 51 3.326 -11.222 -9.929 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.070 -10.259 -9.977 1.00 0.00 O ATOM 822 OD2 ASP A 51 3.488 -12.240 -10.581 1.00 0.00 O ATOM 0 H ASP A 51 3.778 -11.507 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 51 2.618 -9.151 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.927 -12.126 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.225 -10.879 -9.567 1.00 0.00 H new ATOM 827 N GLU A 52 0.726 -11.008 -6.338 1.00 0.00 N ATOM 828 CA GLU A 52 -0.463 -10.971 -5.502 1.00 0.00 C ATOM 829 C GLU A 52 -0.289 -9.961 -4.382 1.00 0.00 C ATOM 830 O GLU A 52 -1.219 -9.236 -4.036 1.00 0.00 O ATOM 831 CB GLU A 52 -0.749 -12.352 -4.917 1.00 0.00 C ATOM 832 CG GLU A 52 -1.129 -13.318 -6.041 1.00 0.00 C ATOM 833 CD GLU A 52 -1.530 -14.670 -5.459 1.00 0.00 C ATOM 834 OE1 GLU A 52 -1.755 -14.733 -4.261 1.00 0.00 O ATOM 835 OE2 GLU A 52 -1.602 -15.624 -6.217 1.00 0.00 O ATOM 0 H GLU A 52 1.237 -11.891 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.308 -10.671 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.129 -12.722 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.558 -12.289 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.953 -12.905 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.288 -13.442 -6.724 1.00 0.00 H new ATOM 842 N LEU A 53 0.914 -9.902 -3.827 1.00 0.00 N ATOM 843 CA LEU A 53 1.201 -8.962 -2.753 1.00 0.00 C ATOM 844 C LEU A 53 1.014 -7.542 -3.243 1.00 0.00 C ATOM 845 O LEU A 53 0.510 -6.696 -2.517 1.00 0.00 O ATOM 846 CB LEU A 53 2.632 -9.154 -2.252 1.00 0.00 C ATOM 847 CG LEU A 53 2.691 -10.357 -1.297 1.00 0.00 C ATOM 848 CD1 LEU A 53 4.154 -10.711 -1.019 1.00 0.00 C ATOM 849 CD2 LEU A 53 1.969 -10.017 0.029 1.00 0.00 C ATOM 0 H LEU A 53 1.702 -10.490 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 53 0.511 -9.149 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.304 -9.314 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.972 -8.254 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 53 2.192 -11.210 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.200 -11.564 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.651 -10.964 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.654 -9.857 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.016 -10.875 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.455 -9.162 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.927 -9.774 -0.176 1.00 0.00 H new ATOM 861 N LEU A 54 1.439 -7.283 -4.469 1.00 0.00 N ATOM 862 CA LEU A 54 1.319 -5.946 -5.021 1.00 0.00 C ATOM 863 C LEU A 54 -0.153 -5.532 -5.085 1.00 0.00 C ATOM 864 O LEU A 54 -0.514 -4.410 -4.718 1.00 0.00 O ATOM 865 CB LEU A 54 1.903 -5.921 -6.438 1.00 0.00 C ATOM 866 CG LEU A 54 1.922 -4.473 -6.986 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.237 -3.796 -6.589 1.00 0.00 C ATOM 868 CD2 LEU A 54 1.801 -4.497 -8.512 1.00 0.00 C ATOM 0 H LEU A 54 1.864 -7.970 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 54 1.864 -5.252 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.915 -6.327 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.310 -6.558 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 54 1.083 -3.917 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.252 -2.776 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.322 -3.775 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.074 -4.354 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.815 -3.476 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.637 -5.054 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.865 -4.978 -8.795 1.00 0.00 H new ATOM 880 N ASP A 55 -0.997 -6.437 -5.557 1.00 0.00 N ATOM 881 CA ASP A 55 -2.428 -6.140 -5.656 1.00 0.00 C ATOM 882 C ASP A 55 -3.070 -6.096 -4.267 1.00 0.00 C ATOM 883 O ASP A 55 -4.002 -5.327 -4.019 1.00 0.00 O ATOM 884 CB ASP A 55 -3.122 -7.198 -6.512 1.00 0.00 C ATOM 885 CG ASP A 55 -4.538 -6.749 -6.855 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.985 -5.769 -6.280 1.00 0.00 O ATOM 887 OD2 ASP A 55 -5.153 -7.392 -7.689 1.00 0.00 O ATOM 0 H ASP A 55 -0.728 -7.369 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.544 -5.162 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.554 -7.366 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.153 -8.147 -5.977 1.00 0.00 H new ATOM 892 N VAL A 56 -2.570 -6.942 -3.371 1.00 0.00 N ATOM 893 CA VAL A 56 -3.113 -7.006 -2.017 1.00 0.00 C ATOM 894 C VAL A 56 -2.714 -5.772 -1.208 1.00 0.00 C ATOM 895 O VAL A 56 -3.563 -5.095 -0.634 1.00 0.00 O ATOM 896 CB VAL A 56 -2.606 -8.272 -1.315 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.929 -8.211 0.181 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.271 -9.507 -1.932 1.00 0.00 C ATOM 0 H VAL A 56 -1.800 -7.585 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.201 -7.035 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.526 -8.338 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.564 -9.115 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.445 -7.340 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.008 -8.135 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.908 -10.404 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.352 -9.436 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.026 -9.560 -2.993 1.00 0.00 H new ATOM 908 N VAL A 57 -1.419 -5.498 -1.162 1.00 0.00 N ATOM 909 CA VAL A 57 -0.921 -4.360 -0.411 1.00 0.00 C ATOM 910 C VAL A 57 -1.517 -3.076 -0.966 1.00 0.00 C ATOM 911 O VAL A 57 -1.938 -2.200 -0.209 1.00 0.00 O ATOM 912 CB VAL A 57 0.611 -4.298 -0.502 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.036 -3.878 -1.912 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.143 -3.287 0.516 1.00 0.00 C ATOM 0 H VAL A 57 -0.699 -6.046 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.212 -4.472 0.633 1.00 0.00 H new ATOM 0 HB VAL A 57 1.021 -5.284 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.124 -3.837 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.663 -4.603 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.624 -2.895 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.230 -3.243 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.727 -2.302 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.851 -3.594 1.520 1.00 0.00 H new ATOM 924 N LEU A 58 -1.548 -2.962 -2.294 1.00 0.00 N ATOM 925 CA LEU A 58 -2.088 -1.764 -2.913 1.00 0.00 C ATOM 926 C LEU A 58 -3.545 -1.578 -2.512 1.00 0.00 C ATOM 927 O LEU A 58 -3.923 -0.535 -1.971 1.00 0.00 O ATOM 928 CB LEU A 58 -1.987 -1.894 -4.437 1.00 0.00 C ATOM 929 CG LEU A 58 -2.433 -0.584 -5.109 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.485 0.564 -4.705 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.424 -0.764 -6.638 1.00 0.00 C ATOM 0 H LEU A 58 -1.212 -3.671 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.517 -0.898 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.961 -2.128 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.610 -2.719 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.443 -0.335 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.807 1.488 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.507 0.690 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.470 0.326 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.740 0.164 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.417 -1.018 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.109 -1.566 -6.914 1.00 0.00 H new ATOM 943 N ASP A 59 -4.364 -2.588 -2.781 1.00 0.00 N ATOM 944 CA ASP A 59 -5.779 -2.515 -2.443 1.00 0.00 C ATOM 945 C ASP A 59 -5.940 -2.131 -0.975 1.00 0.00 C ATOM 946 O ASP A 59 -6.801 -1.327 -0.625 1.00 0.00 O ATOM 947 CB ASP A 59 -6.443 -3.869 -2.696 1.00 0.00 C ATOM 948 CG ASP A 59 -6.594 -4.110 -4.192 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.424 -3.165 -4.947 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.881 -5.237 -4.566 1.00 0.00 O ATOM 0 H ASP A 59 -4.076 -3.459 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.256 -1.759 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.845 -4.664 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.421 -3.898 -2.215 1.00 0.00 H new ATOM 955 N ALA A 60 -5.098 -2.711 -0.125 1.00 0.00 N ATOM 956 CA ALA A 60 -5.151 -2.420 1.302 1.00 0.00 C ATOM 957 C ALA A 60 -4.967 -0.926 1.550 1.00 0.00 C ATOM 958 O ALA A 60 -5.723 -0.312 2.306 1.00 0.00 O ATOM 959 CB ALA A 60 -4.054 -3.199 2.035 1.00 0.00 C ATOM 0 H ALA A 60 -4.377 -3.379 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.127 -2.723 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.100 -2.976 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.202 -4.268 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.079 -2.908 1.645 1.00 0.00 H new ATOM 965 N VAL A 61 -3.957 -0.343 0.908 1.00 0.00 N ATOM 966 CA VAL A 61 -3.688 1.081 1.070 1.00 0.00 C ATOM 967 C VAL A 61 -4.857 1.909 0.549 1.00 0.00 C ATOM 968 O VAL A 61 -5.298 2.857 1.199 1.00 0.00 O ATOM 969 CB VAL A 61 -2.411 1.459 0.313 1.00 0.00 C ATOM 970 CG1 VAL A 61 -2.245 2.982 0.304 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.200 0.822 1.003 1.00 0.00 C ATOM 0 H VAL A 61 -3.319 -0.829 0.278 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.556 1.290 2.132 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.482 1.097 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.335 3.246 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.104 3.439 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.177 3.347 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.291 1.091 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.134 1.184 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.312 -0.262 1.007 1.00 0.00 H new ATOM 981 N GLU A 62 -5.351 1.553 -0.631 1.00 0.00 N ATOM 982 CA GLU A 62 -6.463 2.280 -1.232 1.00 0.00 C ATOM 983 C GLU A 62 -7.678 2.245 -0.313 1.00 0.00 C ATOM 984 O GLU A 62 -8.345 3.261 -0.112 1.00 0.00 O ATOM 985 CB GLU A 62 -6.822 1.658 -2.583 1.00 0.00 C ATOM 986 CG GLU A 62 -7.905 2.498 -3.260 1.00 0.00 C ATOM 987 CD GLU A 62 -8.222 1.928 -4.639 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.783 0.823 -4.916 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.900 2.603 -5.397 1.00 0.00 O ATOM 0 H GLU A 62 -5.003 0.772 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.162 3.317 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.937 1.606 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.174 0.636 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.806 2.508 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.570 3.531 -3.353 1.00 0.00 H new ATOM 996 N SER A 63 -7.962 1.071 0.241 1.00 0.00 N ATOM 997 CA SER A 63 -9.098 0.919 1.140 1.00 0.00 C ATOM 998 C SER A 63 -8.934 1.800 2.371 1.00 0.00 C ATOM 999 O SER A 63 -9.883 2.443 2.819 1.00 0.00 O ATOM 1000 CB SER A 63 -9.229 -0.541 1.571 1.00 0.00 C ATOM 1001 OG SER A 63 -8.032 -0.945 2.225 1.00 0.00 O ATOM 0 H SER A 63 -7.425 0.218 0.085 1.00 0.00 H new ATOM 0 HA SER A 63 -9.999 1.225 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.081 -0.660 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.415 -1.174 0.703 1.00 0.00 H new ATOM 0 HG SER A 63 -7.278 -0.423 1.879 1.00 0.00 H new ATOM 1007 N THR A 64 -7.720 1.825 2.916 1.00 0.00 N ATOM 1008 CA THR A 64 -7.444 2.635 4.097 1.00 0.00 C ATOM 1009 C THR A 64 -7.525 4.117 3.763 1.00 0.00 C ATOM 1010 O THR A 64 -8.456 4.807 4.176 1.00 0.00 O ATOM 1011 CB THR A 64 -6.051 2.311 4.640 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.987 0.930 4.970 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.778 3.150 5.891 1.00 0.00 C ATOM 0 H THR A 64 -6.920 1.299 2.563 1.00 0.00 H new ATOM 0 HA THR A 64 -8.194 2.403 4.854 1.00 0.00 H new ATOM 0 HB THR A 64 -5.302 2.542 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.898 0.401 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.785 2.917 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.830 4.209 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.524 2.922 6.652 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.541 4.603 3.009 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.512 6.009 2.622 1.00 0.00 C ATOM 1023 C LEU A 65 -7.042 6.180 1.205 1.00 0.00 C ATOM 1024 O LEU A 65 -6.278 6.177 0.241 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.074 6.539 2.697 1.00 0.00 C ATOM 1026 CG LEU A 65 -5.072 8.062 2.476 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -5.779 8.778 3.649 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -3.626 8.555 2.366 1.00 0.00 C ATOM 0 H LEU A 65 -5.760 4.049 2.657 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.145 6.572 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.639 6.302 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.456 6.051 1.943 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.610 8.289 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.769 9.854 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.810 8.431 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.257 8.554 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.620 9.634 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.090 8.319 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.137 8.064 1.525 1.00 0.00 H new ATOM 1040 N SER A 66 -8.353 6.350 1.085 1.00 0.00 N ATOM 1041 CA SER A 66 -8.977 6.545 -0.219 1.00 0.00 C ATOM 1042 C SER A 66 -8.763 7.980 -0.709 1.00 0.00 C ATOM 1043 O SER A 66 -8.382 8.199 -1.861 1.00 0.00 O ATOM 1044 CB SER A 66 -10.486 6.242 -0.125 1.00 0.00 C ATOM 1045 OG SER A 66 -11.237 7.397 -0.488 1.00 0.00 O ATOM 0 H SER A 66 -9.003 6.357 1.871 1.00 0.00 H new ATOM 0 HA SER A 66 -8.515 5.863 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.740 5.411 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.742 5.936 0.889 1.00 0.00 H new ATOM 0 HG SER A 66 -12.194 7.197 -0.428 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.014 8.953 0.137 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.862 10.389 -0.222 1.00 0.00 C ATOM 1053 C PRO A 67 -7.408 10.851 -0.144 1.00 0.00 C ATOM 1054 O PRO A 67 -7.043 11.645 0.720 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.741 11.107 0.814 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.745 10.214 2.022 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.467 8.790 1.532 1.00 0.00 C ATOM 0 HA PRO A 67 -9.157 10.597 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.340 12.092 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.751 11.259 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.985 10.530 2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.706 10.264 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.705 8.304 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.362 8.171 1.587 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.584 10.347 -1.052 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.173 10.716 -1.075 1.00 0.00 C ATOM 1067 C CYS A 68 -4.992 12.089 -1.718 1.00 0.00 C ATOM 1068 O CYS A 68 -4.087 12.840 -1.357 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.371 9.671 -1.849 1.00 0.00 C ATOM 1070 SG CYS A 68 -4.621 8.047 -1.092 1.00 0.00 S ATOM 0 H CYS A 68 -6.864 9.687 -1.777 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.808 10.758 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.687 9.652 -2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.312 9.930 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.844 7.952 -0.662 1.00 0.00 H new ATOM 1076 N LYS A 69 -5.857 12.406 -2.674 1.00 0.00 N ATOM 1077 CA LYS A 69 -5.788 13.688 -3.365 1.00 0.00 C ATOM 1078 C LYS A 69 -6.129 14.831 -2.416 1.00 0.00 C ATOM 1079 O LYS A 69 -6.040 16.003 -2.784 1.00 0.00 O ATOM 1080 CB LYS A 69 -6.756 13.696 -4.553 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.193 13.547 -4.048 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.148 13.476 -5.240 1.00 0.00 C ATOM 1083 CE LYS A 69 -10.581 13.318 -4.731 1.00 0.00 C ATOM 1084 NZ LYS A 69 -11.513 13.249 -5.892 1.00 0.00 N ATOM 0 H LYS A 69 -6.612 11.796 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.770 13.828 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.652 14.625 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.514 12.882 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.285 12.646 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.454 14.390 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.062 14.379 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.884 12.636 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.667 12.415 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.845 14.157 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.489 13.141 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.437 14.123 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.265 12.434 -6.489 1.00 0.00 H new ATOM 1098 N GLU A 70 -6.536 14.482 -1.201 1.00 0.00 N ATOM 1099 CA GLU A 70 -6.903 15.489 -0.214 1.00 0.00 C ATOM 1100 C GLU A 70 -5.665 16.209 0.303 1.00 0.00 C ATOM 1101 O GLU A 70 -5.691 17.419 0.519 1.00 0.00 O ATOM 1102 CB GLU A 70 -7.632 14.827 0.958 1.00 0.00 C ATOM 1103 CG GLU A 70 -8.140 15.904 1.919 1.00 0.00 C ATOM 1104 CD GLU A 70 -8.898 15.258 3.075 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -8.260 14.923 4.060 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -10.103 15.107 2.956 1.00 0.00 O ATOM 0 H GLU A 70 -6.620 13.518 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.560 16.216 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.467 14.230 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.960 14.147 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.301 16.485 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.792 16.598 1.389 1.00 0.00 H new ATOM 1113 N HIS A 71 -4.581 15.462 0.491 1.00 0.00 N ATOM 1114 CA HIS A 71 -3.331 16.045 0.981 1.00 0.00 C ATOM 1115 C HIS A 71 -2.338 16.197 -0.162 1.00 0.00 C ATOM 1116 O HIS A 71 -1.971 15.222 -0.807 1.00 0.00 O ATOM 1117 CB HIS A 71 -2.736 15.152 2.069 1.00 0.00 C ATOM 1118 CG HIS A 71 -3.791 14.835 3.092 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -4.524 13.659 3.058 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.245 15.528 4.186 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -5.373 13.680 4.101 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -5.244 14.797 4.822 1.00 0.00 N ATOM 0 H HIS A 71 -4.540 14.458 0.314 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.541 17.030 1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.353 14.231 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.893 15.653 2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.882 16.494 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.074 12.890 4.328 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.766 15.058 5.659 1.00 0.00 H new ATOM 1130 N ASP A 72 -1.909 17.433 -0.406 1.00 0.00 N ATOM 1131 CA ASP A 72 -0.959 17.707 -1.478 1.00 0.00 C ATOM 1132 C ASP A 72 0.327 16.913 -1.275 1.00 0.00 C ATOM 1133 O ASP A 72 0.875 16.345 -2.221 1.00 0.00 O ATOM 1134 CB ASP A 72 -0.633 19.199 -1.516 1.00 0.00 C ATOM 1135 CG ASP A 72 -0.166 19.663 -0.139 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -0.345 18.916 0.810 1.00 0.00 O ATOM 1137 OD2 ASP A 72 0.365 20.758 -0.052 1.00 0.00 O ATOM 0 H ASP A 72 -2.203 18.255 0.121 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.413 17.407 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.143 19.392 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.513 19.765 -1.821 1.00 0.00 H new ATOM 1142 N VAL A 73 0.800 16.862 -0.034 1.00 0.00 N ATOM 1143 CA VAL A 73 2.019 16.124 0.277 1.00 0.00 C ATOM 1144 C VAL A 73 1.900 14.677 -0.194 1.00 0.00 C ATOM 1145 O VAL A 73 2.898 14.051 -0.543 1.00 0.00 O ATOM 1146 CB VAL A 73 2.272 16.166 1.791 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.002 15.692 2.552 1.00 0.00 C ATOM 1148 CG2 VAL A 73 3.463 15.246 2.129 1.00 0.00 C ATOM 0 H VAL A 73 0.362 17.319 0.766 1.00 0.00 H new ATOM 0 HA VAL A 73 2.857 16.588 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 73 2.502 17.187 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.188 15.724 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.166 16.348 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.760 14.671 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.649 15.271 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.232 14.225 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.351 15.591 1.599 1.00 0.00 H new ATOM 1158 N ILE A 74 0.673 14.160 -0.220 1.00 0.00 N ATOM 1159 CA ILE A 74 0.426 12.788 -0.674 1.00 0.00 C ATOM 1160 C ILE A 74 -0.263 12.811 -2.019 1.00 0.00 C ATOM 1161 O ILE A 74 -0.341 11.796 -2.687 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.444 12.042 0.341 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.221 12.089 1.722 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.602 10.586 -0.088 1.00 0.00 C ATOM 1165 CD1 ILE A 74 1.634 11.479 1.667 1.00 0.00 C ATOM 0 H ILE A 74 -0.165 14.666 0.066 1.00 0.00 H new ATOM 0 HA ILE A 74 1.381 12.271 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.424 12.518 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.278 13.121 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.388 11.544 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.222 10.058 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.076 10.545 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.379 10.113 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.088 11.522 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.570 10.440 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.246 12.042 0.962 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.750 13.980 -2.422 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.426 14.109 -3.710 1.00 0.00 C ATOM 1179 C GLY A 75 -0.748 13.264 -4.779 1.00 0.00 C ATOM 1180 O GLY A 75 -1.359 12.347 -5.318 1.00 0.00 O ATOM 0 H GLY A 75 -0.691 14.844 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.467 13.803 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.429 15.155 -4.018 1.00 0.00 H new ATOM 1184 N THR A 76 0.511 13.581 -5.082 1.00 0.00 N ATOM 1185 CA THR A 76 1.269 12.840 -6.091 1.00 0.00 C ATOM 1186 C THR A 76 0.935 11.350 -6.042 1.00 0.00 C ATOM 1187 O THR A 76 1.072 10.631 -7.039 1.00 0.00 O ATOM 1188 CB THR A 76 2.770 13.032 -5.855 1.00 0.00 C ATOM 1189 OG1 THR A 76 3.110 12.546 -4.562 1.00 0.00 O ATOM 1190 CG2 THR A 76 3.125 14.516 -5.953 1.00 0.00 C ATOM 0 H THR A 76 1.027 14.344 -4.644 1.00 0.00 H new ATOM 0 HA THR A 76 0.996 13.225 -7.073 1.00 0.00 H new ATOM 0 HB THR A 76 3.328 12.480 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.071 12.666 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.194 14.646 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.866 14.887 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.568 15.074 -5.200 1.00 0.00 H new ATOM 1198 N LYS A 77 0.489 10.888 -4.877 1.00 0.00 N ATOM 1199 CA LYS A 77 0.133 9.485 -4.704 1.00 0.00 C ATOM 1200 C LYS A 77 -0.951 9.091 -5.703 1.00 0.00 C ATOM 1201 O LYS A 77 -0.893 8.021 -6.304 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.379 9.244 -3.281 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.583 7.755 -3.055 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.022 7.507 -1.612 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.195 6.003 -1.383 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.230 5.471 -2.313 1.00 0.00 N ATOM 0 H LYS A 77 0.366 11.462 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 77 1.022 8.878 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.334 9.637 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.317 9.777 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.335 7.373 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.342 7.216 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.281 7.908 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.959 8.027 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.248 5.489 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.488 5.814 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.603 4.574 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.005 6.159 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.805 5.308 -3.248 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.941 9.962 -5.878 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.028 9.684 -6.807 1.00 0.00 C ATOM 1222 C VAL A 78 -2.474 9.411 -8.206 1.00 0.00 C ATOM 1223 O VAL A 78 -2.922 8.496 -8.900 1.00 0.00 O ATOM 1224 CB VAL A 78 -3.995 10.878 -6.854 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.376 12.025 -7.666 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.310 10.447 -7.510 1.00 0.00 C ATOM 0 H VAL A 78 -2.012 10.857 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.565 8.800 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.186 11.220 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.069 12.866 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.442 12.339 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.177 11.685 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.995 11.294 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.114 10.099 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.758 9.640 -6.930 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.494 10.216 -8.613 1.00 0.00 N ATOM 1237 CA CYS A 79 -0.889 10.054 -9.930 1.00 0.00 C ATOM 1238 C CYS A 79 -0.205 8.693 -10.031 1.00 0.00 C ATOM 1239 O CYS A 79 -0.416 7.944 -10.994 1.00 0.00 O ATOM 1240 CB CYS A 79 0.137 11.168 -10.167 1.00 0.00 C ATOM 1241 SG CYS A 79 -0.706 12.771 -10.216 1.00 0.00 S ATOM 0 H CYS A 79 -1.107 10.978 -8.056 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.670 10.114 -10.688 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.884 11.163 -9.373 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.666 10.995 -11.104 1.00 0.00 H new ATOM 0 HG CYS A 79 0.166 13.714 -10.415 1.00 0.00 H new ATOM 1247 N ALA A 80 0.598 8.367 -9.023 1.00 0.00 N ATOM 1248 CA ALA A 80 1.293 7.089 -9.004 1.00 0.00 C ATOM 1249 C ALA A 80 0.282 5.948 -9.020 1.00 0.00 C ATOM 1250 O ALA A 80 0.398 5.015 -9.805 1.00 0.00 O ATOM 1251 CB ALA A 80 2.169 6.984 -7.755 1.00 0.00 C ATOM 0 H ALA A 80 0.781 8.965 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 80 1.926 7.021 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.684 6.023 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.903 7.790 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.545 7.064 -6.865 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.714 6.031 -8.157 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.732 5.001 -8.086 1.00 0.00 C ATOM 1259 C LEU A 81 -2.330 4.765 -9.466 1.00 0.00 C ATOM 1260 O LEU A 81 -2.565 3.625 -9.863 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.845 5.427 -7.113 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.894 4.308 -6.988 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -3.253 3.054 -6.371 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -5.044 4.789 -6.099 1.00 0.00 C ATOM 0 H LEU A 81 -0.839 6.799 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.273 4.079 -7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.419 5.648 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.319 6.342 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.276 4.060 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.002 2.267 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.437 2.711 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.864 3.294 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.789 3.999 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.659 5.040 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.504 5.671 -6.544 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.587 5.841 -10.193 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.170 5.715 -11.518 1.00 0.00 C ATOM 1278 C LEU A 82 -2.239 4.907 -12.427 1.00 0.00 C ATOM 1279 O LEU A 82 -2.673 3.988 -13.126 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.387 7.119 -12.115 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.516 7.082 -13.156 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.805 8.499 -13.646 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.116 6.184 -14.341 1.00 0.00 C ATOM 0 H LEU A 82 -2.404 6.799 -9.893 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.126 5.197 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.636 7.825 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.466 7.472 -12.579 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.414 6.671 -12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.606 8.472 -14.385 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.109 9.120 -12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.907 8.917 -14.100 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.924 6.165 -15.072 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.213 6.578 -14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.927 5.172 -13.983 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.957 5.244 -12.399 1.00 0.00 N ATOM 1296 CA ASP A 83 0.015 4.535 -13.222 1.00 0.00 C ATOM 1297 C ASP A 83 0.072 3.059 -12.832 1.00 0.00 C ATOM 1298 O ASP A 83 0.152 2.183 -13.691 1.00 0.00 O ATOM 1299 CB ASP A 83 1.397 5.165 -13.056 1.00 0.00 C ATOM 1300 CG ASP A 83 1.436 6.526 -13.750 1.00 0.00 C ATOM 1301 OD1 ASP A 83 0.537 6.797 -14.531 1.00 0.00 O ATOM 1302 OD2 ASP A 83 2.363 7.276 -13.490 1.00 0.00 O ATOM 0 H ASP A 83 -0.569 5.992 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.294 4.611 -14.265 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.629 5.280 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.158 4.509 -13.479 1.00 0.00 H new ATOM 1307 N ARG A 84 0.036 2.795 -11.532 1.00 0.00 N ATOM 1308 CA ARG A 84 0.084 1.418 -11.042 1.00 0.00 C ATOM 1309 C ARG A 84 -1.134 0.642 -11.506 1.00 0.00 C ATOM 1310 O ARG A 84 -1.019 -0.493 -11.971 1.00 0.00 O ATOM 1311 CB ARG A 84 0.163 1.424 -9.501 1.00 0.00 C ATOM 1312 CG ARG A 84 1.628 1.390 -9.046 1.00 0.00 C ATOM 1313 CD ARG A 84 2.448 2.453 -9.793 1.00 0.00 C ATOM 1314 NE ARG A 84 3.566 2.887 -8.978 1.00 0.00 N ATOM 1315 CZ ARG A 84 4.154 4.056 -9.199 1.00 0.00 C ATOM 1316 NH1 ARG A 84 3.724 4.831 -10.162 1.00 0.00 N ATOM 1317 NH2 ARG A 84 5.156 4.431 -8.459 1.00 0.00 N ATOM 0 H ARG A 84 -0.026 3.506 -10.803 1.00 0.00 H new ATOM 0 HA ARG A 84 0.970 0.928 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.327 2.315 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.371 0.563 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.686 1.566 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.049 0.402 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.813 2.045 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.815 3.306 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 84 3.904 2.287 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.938 4.536 -10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.175 5.730 -10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.490 3.826 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.608 5.330 -8.629 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.295 1.254 -11.379 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.531 0.612 -11.796 1.00 0.00 C ATOM 1333 C LEU A 85 -3.570 0.448 -13.303 1.00 0.00 C ATOM 1334 O LEU A 85 -4.257 -0.429 -13.822 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.746 1.429 -11.311 1.00 0.00 C ATOM 1336 CG LEU A 85 -5.234 0.882 -9.955 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.882 -0.516 -10.153 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.045 0.781 -8.967 1.00 0.00 C ATOM 0 H LEU A 85 -2.411 2.191 -10.992 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.573 -0.379 -11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.474 2.480 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.549 1.375 -12.046 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.978 1.563 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.225 -0.898 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.730 -0.431 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.147 -1.202 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.398 0.394 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.290 0.109 -9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.610 1.769 -8.819 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.844 1.307 -13.998 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.821 1.258 -15.448 1.00 0.00 C ATOM 1352 C ALA A 86 -2.330 -0.104 -15.925 1.00 0.00 C ATOM 1353 O ALA A 86 -2.906 -0.693 -16.839 1.00 0.00 O ATOM 1354 CB ALA A 86 -1.897 2.352 -15.987 1.00 0.00 C ATOM 0 H ALA A 86 -2.268 2.040 -13.585 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.833 1.419 -15.820 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.882 2.312 -17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.261 3.327 -15.665 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.888 2.197 -15.605 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.271 -0.603 -15.297 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.719 -1.903 -15.663 1.00 0.00 C ATOM 1362 C GLY A 87 0.759 -1.988 -15.306 1.00 0.00 C ATOM 1363 O GLY A 87 1.232 -3.027 -14.852 1.00 0.00 O ATOM 0 H GLY A 87 -0.780 -0.131 -14.537 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.267 -2.693 -15.149 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.849 -2.069 -16.732 1.00 0.00 H new ATOM 1367 N ASP A 88 1.481 -0.889 -15.516 1.00 0.00 N ATOM 1368 CA ASP A 88 2.910 -0.854 -15.219 1.00 0.00 C ATOM 1369 C ASP A 88 3.135 -0.549 -13.743 1.00 0.00 C ATOM 1370 O ASP A 88 2.601 0.422 -13.213 1.00 0.00 O ATOM 1371 CB ASP A 88 3.593 0.220 -16.063 1.00 0.00 C ATOM 1372 CG ASP A 88 3.600 -0.200 -17.528 1.00 0.00 C ATOM 1373 OD1 ASP A 88 3.260 -1.339 -17.801 1.00 0.00 O ATOM 1374 OD2 ASP A 88 3.944 0.627 -18.357 1.00 0.00 O ATOM 0 H ASP A 88 1.103 -0.018 -15.888 1.00 0.00 H new ATOM 0 HA ASP A 88 3.336 -1.829 -15.455 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.071 1.170 -15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.614 0.374 -15.715 1.00 0.00 H new ATOM 1379 N TYR A 89 3.916 -1.397 -13.082 1.00 0.00 N ATOM 1380 CA TYR A 89 4.201 -1.233 -11.657 1.00 0.00 C ATOM 1381 C TYR A 89 5.696 -1.356 -11.391 1.00 0.00 C ATOM 1382 O TYR A 89 6.499 -0.680 -12.027 1.00 0.00 O ATOM 1383 CB TYR A 89 3.427 -2.279 -10.843 1.00 0.00 C ATOM 1384 CG TYR A 89 3.772 -3.673 -11.330 1.00 0.00 C ATOM 1385 CD1 TYR A 89 3.442 -4.067 -12.637 1.00 0.00 C ATOM 1386 CD2 TYR A 89 4.433 -4.570 -10.486 1.00 0.00 C ATOM 1387 CE1 TYR A 89 3.770 -5.340 -13.092 1.00 0.00 C ATOM 1388 CE2 TYR A 89 4.765 -5.850 -10.945 1.00 0.00 C ATOM 1389 CZ TYR A 89 4.435 -6.233 -12.250 1.00 0.00 C ATOM 1390 OH TYR A 89 4.757 -7.494 -12.703 1.00 0.00 O ATOM 0 H TYR A 89 4.365 -2.207 -13.509 1.00 0.00 H new ATOM 0 HA TYR A 89 3.880 -0.238 -11.350 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.672 -2.183 -9.785 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.355 -2.106 -10.939 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.931 -3.378 -13.293 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.688 -4.275 -9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.510 -5.638 -14.097 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.276 -6.542 -10.292 1.00 0.00 H new ATOM 0 HH TYR A 89 5.218 -7.989 -11.994 1.00 0.00 H new ATOM 1400 N VAL A 90 6.063 -2.221 -10.448 1.00 0.00 N ATOM 1401 CA VAL A 90 7.466 -2.423 -10.094 1.00 0.00 C ATOM 1402 C VAL A 90 7.793 -3.906 -9.981 1.00 0.00 C ATOM 1403 O VAL A 90 6.906 -4.744 -9.900 1.00 0.00 O ATOM 1404 CB VAL A 90 7.754 -1.736 -8.758 1.00 0.00 C ATOM 1405 CG1 VAL A 90 7.609 -0.224 -8.922 1.00 0.00 C ATOM 1406 CG2 VAL A 90 6.759 -2.230 -7.702 1.00 0.00 C ATOM 0 H VAL A 90 5.408 -2.793 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 90 8.087 -1.992 -10.880 1.00 0.00 H new ATOM 0 HB VAL A 90 8.769 -1.974 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.814 0.267 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.316 0.130 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.594 0.012 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.965 -1.740 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.744 -1.993 -8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.860 -3.309 -7.584 1.00 0.00 H new ATOM 1416 N TYR A 91 9.077 -4.224 -9.970 1.00 0.00 N ATOM 1417 CA TYR A 91 9.509 -5.619 -9.864 1.00 0.00 C ATOM 1418 C TYR A 91 10.228 -5.834 -8.550 1.00 0.00 C ATOM 1419 O TYR A 91 10.925 -4.942 -8.053 1.00 0.00 O ATOM 1420 CB TYR A 91 10.444 -5.964 -11.019 1.00 0.00 C ATOM 1421 CG TYR A 91 9.867 -5.430 -12.313 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.594 -5.841 -12.737 1.00 0.00 C ATOM 1423 CD2 TYR A 91 10.602 -4.525 -13.089 1.00 0.00 C ATOM 1424 CE1 TYR A 91 8.062 -5.347 -13.932 1.00 0.00 C ATOM 1425 CE2 TYR A 91 10.069 -4.031 -14.282 1.00 0.00 C ATOM 1426 CZ TYR A 91 8.798 -4.441 -14.704 1.00 0.00 C ATOM 1427 OH TYR A 91 8.272 -3.954 -15.882 1.00 0.00 O ATOM 0 H TYR A 91 9.837 -3.546 -10.032 1.00 0.00 H new ATOM 0 HA TYR A 91 8.632 -6.265 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.430 -5.534 -10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.574 -7.044 -11.085 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.025 -6.539 -12.140 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.582 -4.209 -12.765 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.083 -5.665 -14.259 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.637 -3.333 -14.879 1.00 0.00 H new ATOM 0 HH TYR A 91 8.911 -3.335 -16.294 1.00 0.00 H new ATOM 1437 N LEU A 92 10.041 -7.019 -7.979 1.00 0.00 N ATOM 1438 CA LEU A 92 10.669 -7.360 -6.712 1.00 0.00 C ATOM 1439 C LEU A 92 11.352 -8.719 -6.790 1.00 0.00 C ATOM 1440 O LEU A 92 10.847 -9.645 -7.422 1.00 0.00 O ATOM 1441 CB LEU A 92 9.617 -7.358 -5.596 1.00 0.00 C ATOM 1442 CG LEU A 92 10.145 -8.133 -4.355 1.00 0.00 C ATOM 1443 CD1 LEU A 92 9.448 -7.627 -3.073 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.925 -9.667 -4.530 1.00 0.00 C ATOM 0 H LEU A 92 9.460 -7.758 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 92 11.431 -6.613 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.375 -6.333 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.696 -7.817 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 92 11.216 -7.952 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.826 -8.177 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.653 -6.564 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.372 -7.782 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.301 -10.191 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.861 -9.871 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.459 -10.013 -5.415 1.00 0.00 H new ATOM 1456 N PHE A 93 12.497 -8.832 -6.122 1.00 0.00 N ATOM 1457 CA PHE A 93 13.239 -10.095 -6.107 1.00 0.00 C ATOM 1458 C PHE A 93 14.024 -10.244 -4.804 1.00 0.00 C ATOM 1459 O PHE A 93 14.236 -9.269 -4.080 1.00 0.00 O ATOM 1460 CB PHE A 93 14.197 -10.156 -7.303 1.00 0.00 C ATOM 1461 CG PHE A 93 14.808 -8.793 -7.517 1.00 0.00 C ATOM 1462 CD1 PHE A 93 15.897 -8.382 -6.742 1.00 0.00 C ATOM 1463 CD2 PHE A 93 14.281 -7.938 -8.496 1.00 0.00 C ATOM 1464 CE1 PHE A 93 16.462 -7.117 -6.945 1.00 0.00 C ATOM 1465 CE2 PHE A 93 14.848 -6.675 -8.698 1.00 0.00 C ATOM 1466 CZ PHE A 93 15.939 -6.265 -7.924 1.00 0.00 C ATOM 0 H PHE A 93 12.929 -8.077 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 93 12.524 -10.915 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.978 -10.894 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.661 -10.473 -8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 93 16.302 -9.040 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.439 -8.254 -9.093 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.302 -6.799 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.443 -6.016 -9.452 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.378 -5.291 -8.082 1.00 0.00 H new ATOM 1476 N ASP A 94 14.453 -11.469 -4.514 1.00 0.00 N ATOM 1477 CA ASP A 94 15.214 -11.733 -3.300 1.00 0.00 C ATOM 1478 C ASP A 94 16.640 -11.212 -3.439 1.00 0.00 C ATOM 1479 O ASP A 94 17.031 -10.718 -4.497 1.00 0.00 O ATOM 1480 CB ASP A 94 15.243 -13.240 -3.023 1.00 0.00 C ATOM 1481 CG ASP A 94 15.897 -13.973 -4.190 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.517 -13.314 -5.009 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.762 -15.185 -4.251 1.00 0.00 O ATOM 0 H ASP A 94 14.288 -12.288 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 94 14.731 -11.219 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.794 -13.438 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.229 -13.610 -2.873 1.00 0.00 H new ATOM 1488 N GLU A 95 17.409 -11.319 -2.363 1.00 0.00 N ATOM 1489 CA GLU A 95 18.789 -10.849 -2.372 1.00 0.00 C ATOM 1490 C GLU A 95 19.675 -11.783 -3.189 1.00 0.00 C ATOM 1491 O GLU A 95 20.876 -11.874 -2.948 1.00 0.00 O ATOM 1492 CB GLU A 95 19.322 -10.760 -0.942 1.00 0.00 C ATOM 1493 CG GLU A 95 18.599 -9.637 -0.197 1.00 0.00 C ATOM 1494 CD GLU A 95 19.045 -9.607 1.261 1.00 0.00 C ATOM 1495 OE1 GLU A 95 19.868 -10.432 1.625 1.00 0.00 O ATOM 1496 OE2 GLU A 95 18.559 -8.760 1.993 1.00 0.00 O ATOM 0 H GLU A 95 17.104 -11.724 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 95 18.808 -9.860 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.171 -11.709 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.395 -10.571 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.812 -8.679 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.521 -9.787 -0.253 1.00 0.00 H new ATOM 1503 N GLY A 96 19.073 -12.476 -4.153 1.00 0.00 N ATOM 1504 CA GLY A 96 19.814 -13.407 -5.005 1.00 0.00 C ATOM 1505 C GLY A 96 19.449 -13.204 -6.471 1.00 0.00 C ATOM 1506 O GLY A 96 20.256 -12.702 -7.253 1.00 0.00 O ATOM 0 H GLY A 96 18.077 -12.412 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.885 -13.259 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.594 -14.433 -4.709 1.00 0.00 H new ATOM 1510 N GLY A 97 18.229 -13.595 -6.834 1.00 0.00 N ATOM 1511 CA GLY A 97 17.770 -13.447 -8.209 1.00 0.00 C ATOM 1512 C GLY A 97 16.387 -14.055 -8.389 1.00 0.00 C ATOM 1513 O GLY A 97 15.561 -13.530 -9.138 1.00 0.00 O ATOM 0 H GLY A 97 17.548 -14.013 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.745 -12.391 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.475 -13.930 -8.886 1.00 0.00 H new ATOM 1517 N ASP A 98 16.135 -15.157 -7.693 1.00 0.00 N ATOM 1518 CA ASP A 98 14.843 -15.824 -7.780 1.00 0.00 C ATOM 1519 C ASP A 98 13.751 -14.946 -7.183 1.00 0.00 C ATOM 1520 O ASP A 98 13.958 -14.290 -6.164 1.00 0.00 O ATOM 1521 CB ASP A 98 14.893 -17.159 -7.036 1.00 0.00 C ATOM 1522 CG ASP A 98 15.714 -18.171 -7.829 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.926 -17.940 -9.009 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.120 -19.164 -7.247 1.00 0.00 O ATOM 0 H ASP A 98 16.804 -15.605 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 98 14.616 -16.005 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.332 -17.017 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.882 -17.538 -6.885 1.00 0.00 H new ATOM 1529 N GLU A 99 12.586 -14.938 -7.825 1.00 0.00 N ATOM 1530 CA GLU A 99 11.469 -14.130 -7.343 1.00 0.00 C ATOM 1531 C GLU A 99 10.664 -14.899 -6.310 1.00 0.00 C ATOM 1532 O GLU A 99 9.690 -15.571 -6.640 1.00 0.00 O ATOM 1533 CB GLU A 99 10.561 -13.753 -8.519 1.00 0.00 C ATOM 1534 CG GLU A 99 11.323 -12.845 -9.497 1.00 0.00 C ATOM 1535 CD GLU A 99 12.202 -13.685 -10.421 1.00 0.00 C ATOM 1536 OE1 GLU A 99 12.268 -14.886 -10.215 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.793 -13.116 -11.321 1.00 0.00 O ATOM 0 H GLU A 99 12.391 -15.475 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 99 11.866 -13.227 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.224 -14.653 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.670 -13.242 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.617 -12.260 -10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.938 -12.137 -8.943 1.00 0.00 H new ATOM 1544 N VAL A 100 11.068 -14.781 -5.045 1.00 0.00 N ATOM 1545 CA VAL A 100 10.366 -15.458 -3.958 1.00 0.00 C ATOM 1546 C VAL A 100 10.291 -14.558 -2.729 1.00 0.00 C ATOM 1547 O VAL A 100 11.296 -13.993 -2.296 1.00 0.00 O ATOM 1548 CB VAL A 100 11.092 -16.757 -3.605 1.00 0.00 C ATOM 1549 CG1 VAL A 100 10.463 -17.373 -2.355 1.00 0.00 C ATOM 1550 CG2 VAL A 100 10.976 -17.739 -4.773 1.00 0.00 C ATOM 0 H VAL A 100 11.872 -14.227 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 100 9.352 -15.687 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 100 12.143 -16.544 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.982 -18.299 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.547 -16.674 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.411 -17.586 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.493 -18.665 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.925 -17.951 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.428 -17.301 -5.663 1.00 0.00 H new ATOM 1560 N ILE A 101 9.097 -14.429 -2.171 1.00 0.00 N ATOM 1561 CA ILE A 101 8.901 -13.589 -0.997 1.00 0.00 C ATOM 1562 C ILE A 101 9.724 -14.116 0.164 1.00 0.00 C ATOM 1563 O ILE A 101 9.705 -15.314 0.460 1.00 0.00 O ATOM 1564 CB ILE A 101 7.421 -13.577 -0.604 1.00 0.00 C ATOM 1565 CG1 ILE A 101 6.562 -13.395 -1.859 1.00 0.00 C ATOM 1566 CG2 ILE A 101 7.154 -12.419 0.364 1.00 0.00 C ATOM 1567 CD1 ILE A 101 7.067 -12.202 -2.668 1.00 0.00 C ATOM 0 H ILE A 101 8.253 -14.892 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 101 9.222 -12.575 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 101 7.169 -14.521 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.596 -14.299 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.520 -13.240 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.100 -12.413 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.764 -12.544 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.407 -11.475 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.451 -12.079 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.009 -11.299 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.102 -12.375 -2.964 1.00 0.00 H new ATOM 1579 N ALA A 102 10.454 -13.217 0.819 1.00 0.00 N ATOM 1580 CA ALA A 102 11.286 -13.608 1.950 1.00 0.00 C ATOM 1581 C ALA A 102 11.403 -12.461 2.955 1.00 0.00 C ATOM 1582 O ALA A 102 11.002 -11.329 2.673 1.00 0.00 O ATOM 1583 CB ALA A 102 12.691 -14.027 1.450 1.00 0.00 C ATOM 0 H ALA A 102 10.486 -12.224 0.589 1.00 0.00 H new ATOM 0 HA ALA A 102 10.818 -14.456 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.308 -14.318 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.597 -14.869 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.158 -13.189 0.933 1.00 0.00 H new ATOM 1589 N PRO A 103 11.962 -12.733 4.107 1.00 0.00 N ATOM 1590 CA PRO A 103 12.152 -11.704 5.168 1.00 0.00 C ATOM 1591 C PRO A 103 12.837 -10.446 4.635 1.00 0.00 C ATOM 1592 O PRO A 103 12.473 -9.334 5.004 1.00 0.00 O ATOM 1593 CB PRO A 103 13.038 -12.412 6.212 1.00 0.00 C ATOM 1594 CG PRO A 103 12.791 -13.873 6.011 1.00 0.00 C ATOM 1595 CD PRO A 103 12.470 -14.055 4.530 1.00 0.00 C ATOM 0 HA PRO A 103 11.202 -11.357 5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.090 -12.167 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.776 -12.104 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.667 -14.458 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.964 -14.216 6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.355 -14.342 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.725 -14.836 4.376 1.00 0.00 H new ATOM 1603 N ARG A 104 13.832 -10.635 3.766 1.00 0.00 N ATOM 1604 CA ARG A 104 14.568 -9.508 3.185 1.00 0.00 C ATOM 1605 C ARG A 104 14.374 -9.472 1.681 1.00 0.00 C ATOM 1606 O ARG A 104 15.056 -10.183 0.947 1.00 0.00 O ATOM 1607 CB ARG A 104 16.061 -9.638 3.506 1.00 0.00 C ATOM 1608 CG ARG A 104 16.240 -10.148 4.958 1.00 0.00 C ATOM 1609 CD ARG A 104 16.501 -11.654 4.946 1.00 0.00 C ATOM 1610 NE ARG A 104 16.522 -12.170 6.305 1.00 0.00 N ATOM 1611 CZ ARG A 104 16.546 -13.477 6.540 1.00 0.00 C ATOM 1612 NH1 ARG A 104 16.548 -14.319 5.544 1.00 0.00 N ATOM 1613 NH2 ARG A 104 16.566 -13.915 7.767 1.00 0.00 N ATOM 0 H ARG A 104 14.146 -11.552 3.450 1.00 0.00 H new ATOM 0 HA ARG A 104 14.184 -8.583 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.534 -10.328 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.554 -8.673 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 104 17.071 -9.629 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.347 -9.928 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.727 -12.160 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 104 17.452 -11.862 4.455 1.00 0.00 H new ATOM 0 HE ARG A 104 16.518 -11.518 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.531 -13.974 4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.566 -15.323 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 104 16.563 -13.255 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.584 -14.918 7.950 1.00 0.00 H new ATOM 1627 N MET A 105 13.440 -8.645 1.232 1.00 0.00 N ATOM 1628 CA MET A 105 13.151 -8.515 -0.196 1.00 0.00 C ATOM 1629 C MET A 105 13.399 -7.084 -0.653 1.00 0.00 C ATOM 1630 O MET A 105 13.622 -6.189 0.161 1.00 0.00 O ATOM 1631 CB MET A 105 11.693 -8.909 -0.467 1.00 0.00 C ATOM 1632 CG MET A 105 10.815 -8.501 0.716 1.00 0.00 C ATOM 1633 SD MET A 105 10.994 -6.722 1.020 1.00 0.00 S ATOM 1634 CE MET A 105 9.235 -6.331 1.194 1.00 0.00 C ATOM 0 H MET A 105 12.867 -8.052 1.833 1.00 0.00 H new ATOM 0 HA MET A 105 13.810 -9.179 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.340 -8.425 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.622 -9.984 -0.630 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.772 -8.742 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.101 -9.063 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.117 -5.265 1.390 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.712 -6.591 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.816 -6.901 2.023 1.00 0.00 H new ATOM 1644 N TYR A 106 13.358 -6.880 -1.962 1.00 0.00 N ATOM 1645 CA TYR A 106 13.577 -5.556 -2.536 1.00 0.00 C ATOM 1646 C TYR A 106 12.612 -5.319 -3.682 1.00 0.00 C ATOM 1647 O TYR A 106 12.598 -6.081 -4.648 1.00 0.00 O ATOM 1648 CB TYR A 106 15.013 -5.441 -3.043 1.00 0.00 C ATOM 1649 CG TYR A 106 15.182 -4.141 -3.796 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.240 -2.931 -3.098 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.272 -4.150 -5.193 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.392 -1.728 -3.798 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.424 -2.949 -5.895 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.485 -1.735 -5.196 1.00 0.00 C ATOM 1655 OH TYR A 106 15.636 -0.547 -5.882 1.00 0.00 O ATOM 0 H TYR A 106 13.175 -7.613 -2.648 1.00 0.00 H new ATOM 0 HA TYR A 106 13.406 -4.805 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.709 -5.481 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.248 -6.283 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.168 -2.924 -2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.224 -5.086 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.438 -0.793 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.494 -2.957 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 106 15.337 -0.664 -6.808 1.00 0.00 H new ATOM 1665 N CYS A 107 11.815 -4.248 -3.567 1.00 0.00 N ATOM 1666 CA CYS A 107 10.842 -3.888 -4.603 1.00 0.00 C ATOM 1667 C CYS A 107 11.095 -2.472 -5.103 1.00 0.00 C ATOM 1668 O CYS A 107 11.179 -1.527 -4.318 1.00 0.00 O ATOM 1669 CB CYS A 107 9.422 -3.984 -4.049 1.00 0.00 C ATOM 1670 SG CYS A 107 8.238 -3.958 -5.414 1.00 0.00 S ATOM 0 H CYS A 107 11.826 -3.617 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 107 10.954 -4.585 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.307 -4.901 -3.472 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.228 -3.154 -3.370 1.00 0.00 H new ATOM 0 HG CYS A 107 7.030 -4.042 -4.942 1.00 0.00 H new ATOM 1676 N SER A 108 11.213 -2.337 -6.418 1.00 0.00 N ATOM 1677 CA SER A 108 11.457 -1.026 -7.021 1.00 0.00 C ATOM 1678 C SER A 108 11.375 -1.110 -8.541 1.00 0.00 C ATOM 1679 O SER A 108 11.044 -2.159 -9.098 1.00 0.00 O ATOM 1680 CB SER A 108 12.835 -0.503 -6.610 1.00 0.00 C ATOM 1681 OG SER A 108 13.837 -1.302 -7.219 1.00 0.00 O ATOM 0 H SER A 108 11.145 -3.107 -7.083 1.00 0.00 H new ATOM 0 HA SER A 108 10.690 -0.339 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.948 0.538 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.940 -0.531 -5.525 1.00 0.00 H new ATOM 0 HG SER A 108 14.198 -1.931 -6.561 1.00 0.00 H new ATOM 1687 N PHE A 109 11.684 0.001 -9.210 1.00 0.00 N ATOM 1688 CA PHE A 109 11.647 0.040 -10.670 1.00 0.00 C ATOM 1689 C PHE A 109 12.985 -0.414 -11.241 1.00 0.00 C ATOM 1690 O PHE A 109 13.598 0.289 -12.042 1.00 0.00 O ATOM 1691 CB PHE A 109 11.350 1.463 -11.146 1.00 0.00 C ATOM 1692 CG PHE A 109 9.917 1.811 -10.818 1.00 0.00 C ATOM 1693 CD1 PHE A 109 9.600 2.381 -9.580 1.00 0.00 C ATOM 1694 CD2 PHE A 109 8.908 1.565 -11.755 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.272 2.702 -9.276 1.00 0.00 C ATOM 1696 CE2 PHE A 109 7.579 1.887 -11.453 1.00 0.00 C ATOM 1697 CZ PHE A 109 7.263 2.455 -10.214 1.00 0.00 C ATOM 0 H PHE A 109 11.960 0.878 -8.768 1.00 0.00 H new ATOM 0 HA PHE A 109 10.861 -0.631 -11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 109 12.027 2.169 -10.664 1.00 0.00 H new ATOM 0 HB3 PHE A 109 11.519 1.542 -12.220 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.380 2.573 -8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.154 1.127 -12.711 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.026 3.139 -8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.799 1.697 -12.176 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.238 2.703 -9.981 1.00 0.00 H new ATOM 1707 N SER A 110 13.433 -1.595 -10.824 1.00 0.00 N ATOM 1708 CA SER A 110 14.705 -2.135 -11.300 1.00 0.00 C ATOM 1709 C SER A 110 14.633 -3.649 -11.386 1.00 0.00 C ATOM 1710 O SER A 110 13.656 -4.258 -10.950 1.00 0.00 O ATOM 1711 CB SER A 110 15.830 -1.736 -10.350 1.00 0.00 C ATOM 1712 OG SER A 110 17.056 -2.282 -10.819 1.00 0.00 O ATOM 0 H SER A 110 12.939 -2.194 -10.162 1.00 0.00 H new ATOM 0 HA SER A 110 14.905 -1.728 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.902 -0.650 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.618 -2.099 -9.344 1.00 0.00 H new ATOM 0 HG SER A 110 17.377 -2.957 -10.185 1.00 0.00 H new ATOM 1718 N ALA A 111 15.673 -4.253 -11.961 1.00 0.00 N ATOM 1719 CA ALA A 111 15.722 -5.707 -12.116 1.00 0.00 C ATOM 1720 C ALA A 111 16.743 -6.311 -11.154 1.00 0.00 C ATOM 1721 O ALA A 111 17.528 -5.592 -10.534 1.00 0.00 O ATOM 1722 CB ALA A 111 16.077 -6.069 -13.577 1.00 0.00 C ATOM 0 H ALA A 111 16.489 -3.761 -12.325 1.00 0.00 H new ATOM 0 HA ALA A 111 14.742 -6.120 -11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.112 -7.153 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 111 15.320 -5.662 -14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.050 -5.648 -13.830 1.00 0.00 H new ATOM 1728 N PRO A 112 16.752 -7.614 -11.037 1.00 0.00 N ATOM 1729 CA PRO A 112 17.703 -8.330 -10.139 1.00 0.00 C ATOM 1730 C PRO A 112 19.147 -7.866 -10.344 1.00 0.00 C ATOM 1731 O PRO A 112 19.913 -7.749 -9.387 1.00 0.00 O ATOM 1732 CB PRO A 112 17.541 -9.803 -10.545 1.00 0.00 C ATOM 1733 CG PRO A 112 16.157 -9.906 -11.108 1.00 0.00 C ATOM 1734 CD PRO A 112 15.848 -8.550 -11.736 1.00 0.00 C ATOM 0 HA PRO A 112 17.492 -8.145 -9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.289 -10.092 -11.283 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.667 -10.464 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.098 -10.701 -11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.436 -10.146 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.034 -8.557 -12.810 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.803 -8.275 -11.595 1.00 0.00 H new ATOM 1742 N ASP A 113 19.510 -7.609 -11.594 1.00 0.00 N ATOM 1743 CA ASP A 113 20.861 -7.163 -11.909 1.00 0.00 C ATOM 1744 C ASP A 113 21.130 -5.790 -11.311 1.00 0.00 C ATOM 1745 O ASP A 113 22.263 -5.463 -10.960 1.00 0.00 O ATOM 1746 CB ASP A 113 21.055 -7.113 -13.427 1.00 0.00 C ATOM 1747 CG ASP A 113 20.023 -6.185 -14.052 1.00 0.00 C ATOM 1748 OD1 ASP A 113 19.173 -5.701 -13.323 1.00 0.00 O ATOM 1749 OD2 ASP A 113 20.093 -5.971 -15.250 1.00 0.00 O ATOM 0 H ASP A 113 18.893 -7.701 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 113 21.566 -7.874 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 113 22.060 -6.764 -13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.959 -8.114 -13.848 1.00 0.00 H new ATOM 1754 N ASP A 114 20.083 -4.992 -11.202 1.00 0.00 N ATOM 1755 CA ASP A 114 20.207 -3.649 -10.648 1.00 0.00 C ATOM 1756 C ASP A 114 21.307 -2.874 -11.369 1.00 0.00 C ATOM 1757 O ASP A 114 21.004 -1.830 -11.921 1.00 0.00 O ATOM 1758 CB ASP A 114 20.530 -3.725 -9.152 1.00 0.00 C ATOM 1759 CG ASP A 114 19.291 -4.141 -8.365 1.00 0.00 C ATOM 1760 OD1 ASP A 114 18.206 -4.058 -8.913 1.00 0.00 O ATOM 1761 OD2 ASP A 114 19.447 -4.537 -7.221 1.00 0.00 O ATOM 0 H ASP A 114 19.138 -5.247 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 114 19.259 -3.130 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 114 21.335 -4.441 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 114 20.885 -2.757 -8.800 1.00 0.00 H new