USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 85 GLN : amide:sc= 0.992 K(o=1.5,f=0.12) USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0.502 K(o=1.5,f=-8.8!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 170:sc= 0.93 (180deg=0) USER MOD Set 2.2: A 18 GLN : amide:sc= -0.545 K(o=0.39,f=-4) USER MOD Single : A 0 MET CE :methyl -111:sc= -2.5 (180deg=-7.63!) USER MOD Single : A 0 MET N :NH3+ -149:sc= 0.0167 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0.284 (180deg=0.0448) USER MOD Single : A 5 THR OG1 : rot -80:sc= 0.786 USER MOD Single : A 11 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 174:sc= -1.32! USER MOD Single : A 24 MET CE :methyl -142:sc= -0.475 (180deg=-1.16) USER MOD Single : A 25 CYS SG : rot 150:sc= -0.759 USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 40 TYR OH : rot -86:sc= 1.27 USER MOD Single : A 42 MET CE :methyl -157:sc= -1.29 (180deg=-2.64) USER MOD Single : A 48 THR OG1 : rot -17:sc= 1.76 USER MOD Single : A 55 THR OG1 : rot -101:sc= 1.19 USER MOD Single : A 56 SER OG : rot -170:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 99:sc= 0.336 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 74 THR OG1 : rot -140:sc= -1.58! USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 95.569 10.630 -1.291 1.00 0.00 N ATOM 296 CA MET A 0 96.493 9.517 -1.418 1.00 0.00 C ATOM 297 C MET A 0 96.056 8.624 -2.573 1.00 0.00 C ATOM 298 O MET A 0 94.911 8.708 -3.019 1.00 0.00 O ATOM 299 CB MET A 0 96.554 8.730 -0.106 1.00 0.00 C ATOM 300 CG MET A 0 97.973 8.457 0.365 1.00 0.00 C ATOM 301 SD MET A 0 98.833 7.256 -0.666 1.00 0.00 S ATOM 302 CE MET A 0 97.909 5.774 -0.272 1.00 0.00 C ATOM 0 H1 MET A 0 96.076 11.463 -0.929 1.00 0.00 H new ATOM 0 H2 MET A 0 95.162 10.851 -2.222 1.00 0.00 H new ATOM 0 H3 MET A 0 94.807 10.375 -0.631 1.00 0.00 H new ATOM 0 HA MET A 0 97.493 9.895 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 0 96.022 9.284 0.667 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.032 7.782 -0.234 1.00 0.00 H new ATOM 0 HG2 MET A 0 98.535 9.391 0.372 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.946 8.094 1.392 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.540 5.093 0.300 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.032 6.038 0.318 1.00 0.00 H new ATOM 0 HE3 MET A 0 97.592 5.287 -1.194 1.00 0.00 H new ATOM 312 N MET A 1 96.955 7.764 -3.035 1.00 0.00 N ATOM 313 CA MET A 1 96.717 6.966 -4.238 1.00 0.00 C ATOM 314 C MET A 1 95.962 5.676 -3.929 1.00 0.00 C ATOM 315 O MET A 1 95.720 4.873 -4.835 1.00 0.00 O ATOM 316 CB MET A 1 98.042 6.608 -4.915 1.00 0.00 C ATOM 317 CG MET A 1 98.890 7.800 -5.315 1.00 0.00 C ATOM 318 SD MET A 1 100.431 7.306 -6.111 1.00 0.00 S ATOM 319 CE MET A 1 101.186 8.902 -6.397 1.00 0.00 C ATOM 0 H MET A 1 97.860 7.599 -2.595 1.00 0.00 H new ATOM 0 HA MET A 1 96.107 7.576 -4.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.621 5.977 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.831 6.014 -5.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.321 8.437 -5.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.115 8.396 -4.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 102.151 8.766 -6.886 1.00 0.00 H new ATOM 0 HE2 MET A 1 100.538 9.502 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.330 9.412 -5.445 1.00 0.00 H new ATOM 329 N PHE A 2 95.608 5.474 -2.660 1.00 0.00 N ATOM 330 CA PHE A 2 94.936 4.247 -2.234 1.00 0.00 C ATOM 331 C PHE A 2 93.629 4.076 -2.996 1.00 0.00 C ATOM 332 O PHE A 2 92.788 4.975 -3.017 1.00 0.00 O ATOM 333 CB PHE A 2 94.671 4.266 -0.725 1.00 0.00 C ATOM 334 CG PHE A 2 94.152 2.961 -0.181 1.00 0.00 C ATOM 335 CD1 PHE A 2 95.026 1.940 0.152 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.794 2.759 -0.001 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.556 0.741 0.656 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.316 1.561 0.501 1.00 0.00 C ATOM 339 CZ PHE A 2 93.198 0.551 0.830 1.00 0.00 C ATOM 0 H PHE A 2 95.775 6.144 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 2 95.589 3.403 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.595 4.523 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.951 5.053 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 2 96.088 2.082 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.099 3.546 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 2 95.249 -0.046 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.254 1.416 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.828 -0.385 1.222 1.00 0.00 H new ATOM 349 N LYS A 3 93.464 2.924 -3.621 1.00 0.00 N ATOM 350 CA LYS A 3 92.337 2.706 -4.508 1.00 0.00 C ATOM 351 C LYS A 3 91.299 1.810 -3.855 1.00 0.00 C ATOM 352 O LYS A 3 91.308 0.591 -4.036 1.00 0.00 O ATOM 353 CB LYS A 3 92.820 2.100 -5.827 1.00 0.00 C ATOM 354 CG LYS A 3 94.082 2.765 -6.346 1.00 0.00 C ATOM 355 CD LYS A 3 94.489 2.252 -7.713 1.00 0.00 C ATOM 356 CE LYS A 3 95.874 2.758 -8.089 1.00 0.00 C ATOM 357 NZ LYS A 3 96.009 4.225 -7.875 1.00 0.00 N ATOM 0 H LYS A 3 94.095 2.127 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 3 91.866 3.667 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 3 93.006 1.035 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.032 2.191 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 3 93.926 3.843 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 3 94.895 2.594 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 3 94.482 1.162 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 3 93.763 2.576 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.624 2.235 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 3 96.074 2.524 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 96.907 4.554 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.218 4.717 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.996 4.430 -6.855 1.00 0.00 H new ATOM 371 N LEU A 4 90.429 2.414 -3.065 1.00 0.00 N ATOM 372 CA LEU A 4 89.334 1.691 -2.449 1.00 0.00 C ATOM 373 C LEU A 4 88.131 1.750 -3.378 1.00 0.00 C ATOM 374 O LEU A 4 87.558 2.820 -3.592 1.00 0.00 O ATOM 375 CB LEU A 4 88.988 2.301 -1.082 1.00 0.00 C ATOM 376 CG LEU A 4 88.461 1.319 -0.025 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.131 2.048 1.265 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.241 0.563 -0.524 1.00 0.00 C ATOM 0 H LEU A 4 90.461 3.407 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 4 89.624 0.653 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.880 2.787 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.240 3.080 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 4 89.251 0.593 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.759 1.335 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.029 2.532 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.367 2.802 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.896 -0.122 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.447 1.271 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.504 -0.002 -1.418 1.00 0.00 H new ATOM 390 N THR A 5 87.768 0.612 -3.950 1.00 0.00 N ATOM 391 CA THR A 5 86.644 0.554 -4.868 1.00 0.00 C ATOM 392 C THR A 5 85.349 0.946 -4.159 1.00 0.00 C ATOM 393 O THR A 5 85.087 0.498 -3.044 1.00 0.00 O ATOM 394 CB THR A 5 86.499 -0.852 -5.482 1.00 0.00 C ATOM 395 OG1 THR A 5 86.483 -1.842 -4.446 1.00 0.00 O ATOM 396 CG2 THR A 5 87.637 -1.142 -6.450 1.00 0.00 C ATOM 0 H THR A 5 88.235 -0.281 -3.794 1.00 0.00 H new ATOM 0 HA THR A 5 86.838 1.264 -5.672 1.00 0.00 H new ATOM 0 HB THR A 5 85.558 -0.887 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.400 -2.019 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.512 -2.140 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.627 -0.406 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.588 -1.088 -5.920 1.00 0.00 H new ATOM 404 N PRO A 6 84.527 1.805 -4.792 1.00 0.00 N ATOM 405 CA PRO A 6 83.258 2.267 -4.215 1.00 0.00 C ATOM 406 C PRO A 6 82.360 1.106 -3.794 1.00 0.00 C ATOM 407 O PRO A 6 81.613 1.204 -2.821 1.00 0.00 O ATOM 408 CB PRO A 6 82.614 3.060 -5.353 1.00 0.00 C ATOM 409 CG PRO A 6 83.757 3.501 -6.200 1.00 0.00 C ATOM 410 CD PRO A 6 84.779 2.403 -6.117 1.00 0.00 C ATOM 0 HA PRO A 6 83.411 2.853 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.916 2.444 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 6 82.051 3.912 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 6 83.440 3.662 -7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 6 84.168 4.445 -5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.653 1.674 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.794 2.791 -6.197 1.00 0.00 H new ATOM 418 N ALA A 7 82.462 0.002 -4.524 1.00 0.00 N ATOM 419 CA ALA A 7 81.707 -1.200 -4.209 1.00 0.00 C ATOM 420 C ALA A 7 82.124 -1.759 -2.850 1.00 0.00 C ATOM 421 O ALA A 7 81.279 -2.103 -2.023 1.00 0.00 O ATOM 422 CB ALA A 7 81.901 -2.241 -5.301 1.00 0.00 C ATOM 0 H ALA A 7 83.065 -0.084 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 7 80.649 -0.943 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.331 -3.137 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.553 -1.839 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.958 -2.494 -5.379 1.00 0.00 H new ATOM 428 N ALA A 8 83.432 -1.829 -2.619 1.00 0.00 N ATOM 429 CA ALA A 8 83.957 -2.319 -1.352 1.00 0.00 C ATOM 430 C ALA A 8 83.733 -1.292 -0.250 1.00 0.00 C ATOM 431 O ALA A 8 83.445 -1.646 0.891 1.00 0.00 O ATOM 432 CB ALA A 8 85.436 -2.653 -1.478 1.00 0.00 C ATOM 0 H ALA A 8 84.146 -1.552 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 8 83.422 -3.231 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.810 -3.017 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.572 -3.423 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.988 -1.758 -1.766 1.00 0.00 H new ATOM 438 N ALA A 9 83.856 -0.017 -0.608 1.00 0.00 N ATOM 439 CA ALA A 9 83.623 1.075 0.332 1.00 0.00 C ATOM 440 C ALA A 9 82.208 1.008 0.890 1.00 0.00 C ATOM 441 O ALA A 9 81.977 1.287 2.067 1.00 0.00 O ATOM 442 CB ALA A 9 83.866 2.419 -0.343 1.00 0.00 C ATOM 0 H ALA A 9 84.117 0.286 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 9 84.324 0.972 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.688 3.223 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.896 2.468 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 9 83.188 2.529 -1.189 1.00 0.00 H new ATOM 448 N GLU A 10 81.267 0.619 0.039 1.00 0.00 N ATOM 449 CA GLU A 10 79.880 0.461 0.448 1.00 0.00 C ATOM 450 C GLU A 10 79.748 -0.633 1.508 1.00 0.00 C ATOM 451 O GLU A 10 78.951 -0.517 2.441 1.00 0.00 O ATOM 452 CB GLU A 10 79.015 0.124 -0.765 1.00 0.00 C ATOM 453 CG GLU A 10 77.530 0.066 -0.458 1.00 0.00 C ATOM 454 CD GLU A 10 76.722 -0.442 -1.628 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.531 -1.672 -1.731 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.276 0.379 -2.451 1.00 0.00 O ATOM 0 H GLU A 10 81.442 0.407 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 10 79.538 1.401 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.188 0.869 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 10 79.331 -0.837 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.364 -0.581 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.179 1.060 -0.182 1.00 0.00 H new ATOM 463 N GLN A 11 80.540 -1.692 1.369 1.00 0.00 N ATOM 464 CA GLN A 11 80.513 -2.790 2.328 1.00 0.00 C ATOM 465 C GLN A 11 81.158 -2.353 3.641 1.00 0.00 C ATOM 466 O GLN A 11 80.713 -2.737 4.722 1.00 0.00 O ATOM 467 CB GLN A 11 81.230 -4.021 1.769 1.00 0.00 C ATOM 468 CG GLN A 11 81.025 -5.274 2.608 1.00 0.00 C ATOM 469 CD GLN A 11 81.860 -6.445 2.131 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.181 -6.555 0.951 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.209 -7.336 3.045 1.00 0.00 N ATOM 0 H GLN A 11 81.205 -1.812 0.605 1.00 0.00 H new ATOM 0 HA GLN A 11 79.473 -3.059 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.876 -4.210 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.297 -3.810 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.275 -5.055 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.971 -5.552 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.923 -7.210 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.764 -8.149 2.779 1.00 0.00 H new ATOM 480 N VAL A 12 82.207 -1.539 3.537 1.00 0.00 N ATOM 481 CA VAL A 12 82.841 -0.954 4.714 1.00 0.00 C ATOM 482 C VAL A 12 81.835 -0.084 5.463 1.00 0.00 C ATOM 483 O VAL A 12 81.740 -0.134 6.691 1.00 0.00 O ATOM 484 CB VAL A 12 84.076 -0.101 4.339 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.720 0.498 5.581 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.089 -0.930 3.565 1.00 0.00 C ATOM 0 H VAL A 12 82.634 -1.271 2.651 1.00 0.00 H new ATOM 0 HA VAL A 12 83.177 -1.774 5.349 1.00 0.00 H new ATOM 0 HB VAL A 12 83.738 0.715 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.586 1.093 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.998 1.134 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.038 -0.303 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.949 -0.310 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.415 -1.771 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.630 -1.304 2.650 1.00 0.00 H new ATOM 496 N LEU A 13 81.073 0.696 4.702 1.00 0.00 N ATOM 497 CA LEU A 13 80.017 1.530 5.260 1.00 0.00 C ATOM 498 C LEU A 13 78.980 0.664 5.970 1.00 0.00 C ATOM 499 O LEU A 13 78.503 1.010 7.050 1.00 0.00 O ATOM 500 CB LEU A 13 79.349 2.350 4.152 1.00 0.00 C ATOM 501 CG LEU A 13 78.263 3.322 4.615 1.00 0.00 C ATOM 502 CD1 LEU A 13 78.853 4.394 5.518 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.568 3.951 3.416 1.00 0.00 C ATOM 0 H LEU A 13 81.170 0.767 3.689 1.00 0.00 H new ATOM 0 HA LEU A 13 80.459 2.214 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.119 2.916 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.912 1.662 3.428 1.00 0.00 H new ATOM 0 HG LEU A 13 77.522 2.765 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.064 5.076 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.303 3.925 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 13 79.615 4.951 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.798 4.640 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.298 4.494 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.110 3.170 2.810 1.00 0.00 H new ATOM 515 N LYS A 14 78.652 -0.469 5.356 1.00 0.00 N ATOM 516 CA LYS A 14 77.712 -1.418 5.942 1.00 0.00 C ATOM 517 C LYS A 14 78.252 -1.939 7.270 1.00 0.00 C ATOM 518 O LYS A 14 77.540 -1.960 8.269 1.00 0.00 O ATOM 519 CB LYS A 14 77.462 -2.582 4.976 1.00 0.00 C ATOM 520 CG LYS A 14 76.352 -3.532 5.408 1.00 0.00 C ATOM 521 CD LYS A 14 76.083 -4.580 4.336 1.00 0.00 C ATOM 522 CE LYS A 14 74.865 -5.436 4.659 1.00 0.00 C ATOM 523 NZ LYS A 14 75.102 -6.363 5.799 1.00 0.00 N ATOM 0 H LYS A 14 79.025 -0.753 4.450 1.00 0.00 H new ATOM 0 HA LYS A 14 76.766 -0.908 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.215 -2.177 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.386 -3.149 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.631 -4.023 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.441 -2.967 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.933 -4.085 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.958 -5.222 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.021 -4.787 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.588 -6.014 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.202 -6.797 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.768 -7.107 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.502 -5.833 6.600 1.00 0.00 H new ATOM 537 N ALA A 15 79.523 -2.330 7.273 1.00 0.00 N ATOM 538 CA ALA A 15 80.174 -2.842 8.475 1.00 0.00 C ATOM 539 C ALA A 15 80.153 -1.809 9.599 1.00 0.00 C ATOM 540 O ALA A 15 79.937 -2.148 10.763 1.00 0.00 O ATOM 541 CB ALA A 15 81.605 -3.258 8.164 1.00 0.00 C ATOM 0 H ALA A 15 80.126 -2.302 6.451 1.00 0.00 H new ATOM 0 HA ALA A 15 79.617 -3.716 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.078 -3.638 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.600 -4.038 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.163 -2.396 7.797 1.00 0.00 H new ATOM 547 N ALA A 16 80.371 -0.547 9.247 1.00 0.00 N ATOM 548 CA ALA A 16 80.325 0.537 10.220 1.00 0.00 C ATOM 549 C ALA A 16 78.899 0.746 10.723 1.00 0.00 C ATOM 550 O ALA A 16 78.667 0.924 11.918 1.00 0.00 O ATOM 551 CB ALA A 16 80.866 1.819 9.607 1.00 0.00 C ATOM 0 H ALA A 16 80.581 -0.250 8.294 1.00 0.00 H new ATOM 0 HA ALA A 16 80.952 0.266 11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.826 2.620 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.899 1.665 9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.262 2.092 8.742 1.00 0.00 H new ATOM 557 N LYS A 17 77.950 0.690 9.797 1.00 0.00 N ATOM 558 CA LYS A 17 76.537 0.894 10.105 1.00 0.00 C ATOM 559 C LYS A 17 76.007 -0.183 11.055 1.00 0.00 C ATOM 560 O LYS A 17 75.045 0.043 11.794 1.00 0.00 O ATOM 561 CB LYS A 17 75.728 0.885 8.801 1.00 0.00 C ATOM 562 CG LYS A 17 74.240 1.133 8.983 1.00 0.00 C ATOM 563 CD LYS A 17 73.489 0.963 7.673 1.00 0.00 C ATOM 564 CE LYS A 17 72.005 1.241 7.842 1.00 0.00 C ATOM 565 NZ LYS A 17 71.253 1.014 6.581 1.00 0.00 N ATOM 0 H LYS A 17 78.136 0.502 8.812 1.00 0.00 H new ATOM 0 HA LYS A 17 76.430 1.857 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.131 1.645 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.866 -0.078 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.842 0.442 9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.081 2.140 9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.904 1.638 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.630 -0.052 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.602 0.599 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.863 2.271 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.245 1.214 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.620 1.644 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.367 0.024 6.282 1.00 0.00 H new ATOM 579 N GLN A 18 76.648 -1.342 11.049 1.00 0.00 N ATOM 580 CA GLN A 18 76.176 -2.491 11.816 1.00 0.00 C ATOM 581 C GLN A 18 76.577 -2.417 13.291 1.00 0.00 C ATOM 582 O GLN A 18 76.203 -3.287 14.079 1.00 0.00 O ATOM 583 CB GLN A 18 76.709 -3.786 11.202 1.00 0.00 C ATOM 584 CG GLN A 18 76.160 -4.070 9.812 1.00 0.00 C ATOM 585 CD GLN A 18 76.780 -5.290 9.151 1.00 0.00 C ATOM 586 OE1 GLN A 18 76.134 -5.963 8.349 1.00 0.00 O ATOM 587 NE2 GLN A 18 78.034 -5.585 9.469 1.00 0.00 N ATOM 0 H GLN A 18 77.502 -1.515 10.519 1.00 0.00 H new ATOM 0 HA GLN A 18 75.087 -2.478 11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.797 -3.734 11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.461 -4.619 11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 18 75.081 -4.212 9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.329 -3.199 9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 78.540 -5.005 10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.492 -6.392 9.044 1.00 0.00 H new ATOM 596 N GLY A 19 77.327 -1.392 13.675 1.00 0.00 N ATOM 597 CA GLY A 19 77.753 -1.294 15.057 1.00 0.00 C ATOM 598 C GLY A 19 78.175 0.104 15.453 1.00 0.00 C ATOM 599 O GLY A 19 77.764 1.088 14.838 1.00 0.00 O ATOM 0 H GLY A 19 77.644 -0.638 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.939 -1.618 15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 78.585 -1.978 15.223 1.00 0.00 H new ATOM 603 N GLY A 20 78.994 0.190 16.496 1.00 0.00 N ATOM 604 CA GLY A 20 79.493 1.471 16.962 1.00 0.00 C ATOM 605 C GLY A 20 80.651 1.966 16.124 1.00 0.00 C ATOM 606 O GLY A 20 81.152 3.072 16.329 1.00 0.00 O ATOM 0 H GLY A 20 79.324 -0.613 17.031 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.687 2.205 16.937 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.810 1.381 18.001 1.00 0.00 H new ATOM 610 N THR A 21 81.057 1.143 15.166 1.00 0.00 N ATOM 611 CA THR A 21 82.138 1.471 14.251 1.00 0.00 C ATOM 612 C THR A 21 81.767 2.653 13.358 1.00 0.00 C ATOM 613 O THR A 21 82.635 3.305 12.778 1.00 0.00 O ATOM 614 CB THR A 21 82.476 0.246 13.386 1.00 0.00 C ATOM 615 OG1 THR A 21 81.268 -0.467 13.078 1.00 0.00 O ATOM 616 CG2 THR A 21 83.442 -0.679 14.110 1.00 0.00 C ATOM 0 H THR A 21 80.643 0.225 15.003 1.00 0.00 H new ATOM 0 HA THR A 21 83.010 1.754 14.840 1.00 0.00 H new ATOM 0 HB THR A 21 82.951 0.589 12.467 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.467 -1.191 12.448 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.666 -1.538 13.478 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.364 -0.141 14.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.989 -1.021 15.041 1.00 0.00 H new ATOM 624 N GLU A 22 80.466 2.917 13.268 1.00 0.00 N ATOM 625 CA GLU A 22 79.938 4.052 12.519 1.00 0.00 C ATOM 626 C GLU A 22 80.546 5.366 13.008 1.00 0.00 C ATOM 627 O GLU A 22 80.756 6.296 12.229 1.00 0.00 O ATOM 628 CB GLU A 22 78.420 4.108 12.683 1.00 0.00 C ATOM 629 CG GLU A 22 77.755 5.223 11.898 1.00 0.00 C ATOM 630 CD GLU A 22 76.390 5.574 12.446 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.422 4.836 12.177 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.280 6.589 13.165 1.00 0.00 O ATOM 0 H GLU A 22 79.747 2.348 13.714 1.00 0.00 H new ATOM 0 HA GLU A 22 80.199 3.920 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.996 3.154 12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.183 4.231 13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.391 6.108 11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.659 4.923 10.855 1.00 0.00 H new ATOM 639 N GLY A 23 80.834 5.428 14.301 1.00 0.00 N ATOM 640 CA GLY A 23 81.323 6.656 14.895 1.00 0.00 C ATOM 641 C GLY A 23 82.831 6.764 14.867 1.00 0.00 C ATOM 642 O GLY A 23 83.414 7.554 15.608 1.00 0.00 O ATOM 0 H GLY A 23 80.737 4.647 14.951 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.893 7.506 14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.979 6.716 15.927 1.00 0.00 H new ATOM 646 N MET A 24 83.471 5.970 14.023 1.00 0.00 N ATOM 647 CA MET A 24 84.918 6.009 13.900 1.00 0.00 C ATOM 648 C MET A 24 85.329 6.071 12.437 1.00 0.00 C ATOM 649 O MET A 24 84.482 6.150 11.547 1.00 0.00 O ATOM 650 CB MET A 24 85.567 4.800 14.582 1.00 0.00 C ATOM 651 CG MET A 24 85.419 4.800 16.096 1.00 0.00 C ATOM 652 SD MET A 24 86.535 3.639 16.911 1.00 0.00 S ATOM 653 CE MET A 24 86.060 2.096 16.137 1.00 0.00 C ATOM 0 H MET A 24 83.012 5.292 13.415 1.00 0.00 H new ATOM 0 HA MET A 24 85.269 6.910 14.402 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.124 3.888 14.182 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.627 4.777 14.329 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.608 5.805 16.474 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.390 4.550 16.355 1.00 0.00 H new ATOM 0 HE1 MET A 24 86.086 1.295 16.876 1.00 0.00 H new ATOM 0 HE2 MET A 24 85.051 2.186 15.735 1.00 0.00 H new ATOM 0 HE3 MET A 24 86.753 1.866 15.328 1.00 0.00 H new ATOM 663 N CYS A 25 86.629 6.037 12.196 1.00 0.00 N ATOM 664 CA CYS A 25 87.161 6.141 10.851 1.00 0.00 C ATOM 665 C CYS A 25 87.937 4.873 10.508 1.00 0.00 C ATOM 666 O CYS A 25 88.186 4.036 11.378 1.00 0.00 O ATOM 667 CB CYS A 25 88.061 7.378 10.744 1.00 0.00 C ATOM 668 SG CYS A 25 88.524 7.826 9.055 1.00 0.00 S ATOM 0 H CYS A 25 87.339 5.937 12.922 1.00 0.00 H new ATOM 0 HA CYS A 25 86.342 6.249 10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.550 8.224 11.203 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.969 7.202 11.321 1.00 0.00 H new ATOM 0 HG CYS A 25 88.698 9.112 8.979 1.00 0.00 H new ATOM 674 N LEU A 26 88.313 4.726 9.250 1.00 0.00 N ATOM 675 CA LEU A 26 89.030 3.542 8.811 1.00 0.00 C ATOM 676 C LEU A 26 90.526 3.820 8.749 1.00 0.00 C ATOM 677 O LEU A 26 90.992 4.537 7.865 1.00 0.00 O ATOM 678 CB LEU A 26 88.521 3.094 7.439 1.00 0.00 C ATOM 679 CG LEU A 26 89.080 1.759 6.945 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.646 0.631 7.867 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.630 1.488 5.517 1.00 0.00 C ATOM 0 H LEU A 26 88.134 5.411 8.515 1.00 0.00 H new ATOM 0 HA LEU A 26 88.853 2.743 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.434 3.023 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.765 3.865 6.708 1.00 0.00 H new ATOM 0 HG LEU A 26 90.169 1.813 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.051 -0.313 7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.017 0.821 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.558 0.575 7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.037 0.534 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.541 1.451 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.989 2.285 4.865 1.00 0.00 H new ATOM 693 N ARG A 27 91.275 3.262 9.690 1.00 0.00 N ATOM 694 CA ARG A 27 92.718 3.450 9.706 1.00 0.00 C ATOM 695 C ARG A 27 93.401 2.206 9.159 1.00 0.00 C ATOM 696 O ARG A 27 92.985 1.081 9.441 1.00 0.00 O ATOM 697 CB ARG A 27 93.231 3.750 11.119 1.00 0.00 C ATOM 698 CG ARG A 27 94.637 4.337 11.125 1.00 0.00 C ATOM 699 CD ARG A 27 95.238 4.401 12.521 1.00 0.00 C ATOM 700 NE ARG A 27 94.406 5.147 13.466 1.00 0.00 N ATOM 701 CZ ARG A 27 94.609 6.420 13.805 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.520 7.151 13.176 1.00 0.00 N ATOM 703 NH2 ARG A 27 93.878 6.966 14.766 1.00 0.00 N ATOM 0 H ARG A 27 90.911 2.681 10.445 1.00 0.00 H new ATOM 0 HA ARG A 27 92.955 4.308 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.550 4.446 11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.223 2.832 11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.281 3.735 10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.610 5.340 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 27 95.384 3.388 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 27 96.222 4.866 12.466 1.00 0.00 H new ATOM 0 HE ARG A 27 93.618 4.660 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.074 6.740 12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.667 8.124 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.165 6.413 15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.028 7.940 15.030 1.00 0.00 H new ATOM 717 N LEU A 28 94.440 2.405 8.369 1.00 0.00 N ATOM 718 CA LEU A 28 95.152 1.289 7.769 1.00 0.00 C ATOM 719 C LEU A 28 96.578 1.204 8.294 1.00 0.00 C ATOM 720 O LEU A 28 97.259 2.219 8.448 1.00 0.00 O ATOM 721 CB LEU A 28 95.157 1.418 6.246 1.00 0.00 C ATOM 722 CG LEU A 28 93.775 1.404 5.590 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.900 1.583 4.088 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.044 0.109 5.909 1.00 0.00 C ATOM 0 H LEU A 28 94.809 3.325 8.128 1.00 0.00 H new ATOM 0 HA LEU A 28 94.633 0.371 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.661 2.347 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.748 0.602 5.830 1.00 0.00 H new ATOM 0 HG LEU A 28 93.196 2.235 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.908 1.571 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.384 2.536 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.498 0.771 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.063 0.118 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.621 -0.736 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.923 0.016 6.988 1.00 0.00 H new ATOM 736 N ALA A 29 97.014 -0.013 8.576 1.00 0.00 N ATOM 737 CA ALA A 29 98.368 -0.259 9.043 1.00 0.00 C ATOM 738 C ALA A 29 99.094 -1.177 8.073 1.00 0.00 C ATOM 739 O ALA A 29 98.469 -1.998 7.401 1.00 0.00 O ATOM 740 CB ALA A 29 98.347 -0.862 10.439 1.00 0.00 C ATOM 0 H ALA A 29 96.443 -0.854 8.488 1.00 0.00 H new ATOM 0 HA ALA A 29 98.902 0.690 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.369 -1.040 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.855 -0.173 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.802 -1.806 10.420 1.00 0.00 H new ATOM 746 N ALA A 30 100.409 -1.048 8.003 1.00 0.00 N ATOM 747 CA ALA A 30 101.193 -1.816 7.052 1.00 0.00 C ATOM 748 C ALA A 30 102.308 -2.582 7.750 1.00 0.00 C ATOM 749 O ALA A 30 102.964 -2.057 8.651 1.00 0.00 O ATOM 750 CB ALA A 30 101.766 -0.897 5.986 1.00 0.00 C ATOM 0 H ALA A 30 100.954 -0.419 8.593 1.00 0.00 H new ATOM 0 HA ALA A 30 100.535 -2.544 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.352 -1.482 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.952 -0.399 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.405 -0.149 6.456 1.00 0.00 H new ATOM 756 N GLY A 31 102.503 -3.827 7.339 1.00 0.00 N ATOM 757 CA GLY A 31 103.567 -4.640 7.886 1.00 0.00 C ATOM 758 C GLY A 31 104.381 -5.300 6.794 1.00 0.00 C ATOM 759 O GLY A 31 103.987 -6.335 6.249 1.00 0.00 O ATOM 0 H GLY A 31 101.936 -4.291 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.219 -4.021 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.144 -5.404 8.538 1.00 0.00 H new ATOM 763 N ARG A 32 105.511 -4.696 6.463 1.00 0.00 N ATOM 764 CA ARG A 32 106.373 -5.214 5.416 1.00 0.00 C ATOM 765 C ARG A 32 107.347 -6.223 5.997 1.00 0.00 C ATOM 766 O ARG A 32 108.279 -5.855 6.711 1.00 0.00 O ATOM 767 CB ARG A 32 107.144 -4.079 4.735 1.00 0.00 C ATOM 768 CG ARG A 32 108.010 -4.540 3.573 1.00 0.00 C ATOM 769 CD ARG A 32 108.738 -3.379 2.913 1.00 0.00 C ATOM 770 NE ARG A 32 109.733 -2.766 3.794 1.00 0.00 N ATOM 771 CZ ARG A 32 110.739 -2.003 3.358 1.00 0.00 C ATOM 772 NH1 ARG A 32 110.874 -1.759 2.062 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.609 -1.488 4.216 1.00 0.00 N ATOM 0 H ARG A 32 105.852 -3.843 6.907 1.00 0.00 H new ATOM 0 HA ARG A 32 105.749 -5.705 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 32 106.434 -3.334 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.775 -3.586 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 108.738 -5.269 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.388 -5.045 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.229 -3.731 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.012 -2.624 2.610 1.00 0.00 H new ATOM 0 HE ARG A 32 109.654 -2.931 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 32 110.209 -2.154 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 32 111.643 -1.176 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.512 -1.674 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 32 112.375 -0.906 3.878 1.00 0.00 H new ATOM 787 N ASN A 33 107.117 -7.493 5.708 1.00 0.00 N ATOM 788 CA ASN A 33 108.004 -8.546 6.173 1.00 0.00 C ATOM 789 C ASN A 33 109.002 -8.887 5.079 1.00 0.00 C ATOM 790 O ASN A 33 108.641 -9.504 4.079 1.00 0.00 O ATOM 791 CB ASN A 33 107.216 -9.804 6.560 1.00 0.00 C ATOM 792 CG ASN A 33 106.050 -9.513 7.486 1.00 0.00 C ATOM 793 OD1 ASN A 33 106.206 -9.443 8.705 1.00 0.00 O ATOM 794 ND2 ASN A 33 104.865 -9.364 6.911 1.00 0.00 N ATOM 0 H ASN A 33 106.325 -7.819 5.154 1.00 0.00 H new ATOM 0 HA ASN A 33 108.529 -8.187 7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 33 106.843 -10.285 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 33 107.888 -10.513 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 33 104.040 -9.184 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.778 -9.429 5.897 1.00 0.00 H new ATOM 834 N SER A 37 106.060 -11.844 3.063 1.00 0.00 N ATOM 835 CA SER A 37 105.207 -11.036 2.209 1.00 0.00 C ATOM 836 C SER A 37 104.821 -9.734 2.910 1.00 0.00 C ATOM 837 O SER A 37 105.101 -9.542 4.097 1.00 0.00 O ATOM 838 CB SER A 37 103.953 -11.834 1.827 1.00 0.00 C ATOM 839 OG SER A 37 103.209 -11.185 0.808 1.00 0.00 O ATOM 0 HA SER A 37 105.755 -10.781 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.244 -12.829 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.325 -11.968 2.707 1.00 0.00 H new ATOM 0 HG SER A 37 102.419 -11.721 0.588 1.00 0.00 H new ATOM 845 N ILE A 38 104.179 -8.844 2.170 1.00 0.00 N ATOM 846 CA ILE A 38 103.763 -7.556 2.699 1.00 0.00 C ATOM 847 C ILE A 38 102.290 -7.612 3.091 1.00 0.00 C ATOM 848 O ILE A 38 101.411 -7.673 2.232 1.00 0.00 O ATOM 849 CB ILE A 38 103.987 -6.424 1.673 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.361 -6.569 1.009 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.875 -5.072 2.362 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.593 -5.604 -0.136 1.00 0.00 C ATOM 0 H ILE A 38 103.933 -8.993 1.191 1.00 0.00 H new ATOM 0 HA ILE A 38 104.371 -7.340 3.577 1.00 0.00 H new ATOM 0 HB ILE A 38 103.221 -6.493 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 38 106.135 -6.418 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.470 -7.589 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 38 104.034 -4.278 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.883 -4.968 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 38 104.628 -5.000 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 38 106.586 -5.768 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.842 -5.769 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 38 105.518 -4.580 0.230 1.00 0.00 H new ATOM 864 N ASP A 39 102.036 -7.610 4.389 1.00 0.00 N ATOM 865 CA ASP A 39 100.684 -7.775 4.912 1.00 0.00 C ATOM 866 C ASP A 39 100.135 -6.447 5.422 1.00 0.00 C ATOM 867 O ASP A 39 100.851 -5.675 6.064 1.00 0.00 O ATOM 868 CB ASP A 39 100.699 -8.827 6.027 1.00 0.00 C ATOM 869 CG ASP A 39 99.392 -8.925 6.786 1.00 0.00 C ATOM 870 OD1 ASP A 39 98.350 -9.229 6.170 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.412 -8.727 8.017 1.00 0.00 O ATOM 0 H ASP A 39 102.752 -7.495 5.107 1.00 0.00 H new ATOM 0 HA ASP A 39 100.027 -8.114 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 39 100.932 -9.800 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.500 -8.590 6.728 1.00 0.00 H new ATOM 876 N TYR A 40 98.875 -6.173 5.118 1.00 0.00 N ATOM 877 CA TYR A 40 98.254 -4.912 5.498 1.00 0.00 C ATOM 878 C TYR A 40 97.073 -5.148 6.429 1.00 0.00 C ATOM 879 O TYR A 40 96.292 -6.078 6.236 1.00 0.00 O ATOM 880 CB TYR A 40 97.796 -4.140 4.260 1.00 0.00 C ATOM 881 CG TYR A 40 98.912 -3.817 3.293 1.00 0.00 C ATOM 882 CD1 TYR A 40 100.086 -3.221 3.735 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.793 -4.106 1.939 1.00 0.00 C ATOM 884 CE1 TYR A 40 101.107 -2.922 2.856 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.811 -3.809 1.054 1.00 0.00 C ATOM 886 CZ TYR A 40 100.965 -3.217 1.517 1.00 0.00 C ATOM 887 OH TYR A 40 101.986 -2.924 0.642 1.00 0.00 O ATOM 0 H TYR A 40 98.261 -6.808 4.608 1.00 0.00 H new ATOM 0 HA TYR A 40 99.000 -4.318 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 40 97.036 -4.723 3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 40 97.323 -3.211 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 40 100.202 -2.988 4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.889 -4.571 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 40 102.014 -2.459 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.703 -4.040 0.005 1.00 0.00 H new ATOM 0 HH TYR A 40 101.901 -1.996 0.339 1.00 0.00 H new ATOM 897 N ARG A 41 96.935 -4.292 7.430 1.00 0.00 N ATOM 898 CA ARG A 41 95.887 -4.446 8.425 1.00 0.00 C ATOM 899 C ARG A 41 94.833 -3.361 8.265 1.00 0.00 C ATOM 900 O ARG A 41 95.152 -2.173 8.206 1.00 0.00 O ATOM 901 CB ARG A 41 96.474 -4.387 9.839 1.00 0.00 C ATOM 902 CG ARG A 41 95.533 -4.914 10.918 1.00 0.00 C ATOM 903 CD ARG A 41 95.698 -6.416 11.134 1.00 0.00 C ATOM 904 NE ARG A 41 95.509 -7.193 9.907 1.00 0.00 N ATOM 905 CZ ARG A 41 96.506 -7.760 9.227 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.756 -7.636 9.654 1.00 0.00 N ATOM 907 NH2 ARG A 41 96.257 -8.450 8.123 1.00 0.00 N ATOM 0 H ARG A 41 97.538 -3.482 7.574 1.00 0.00 H new ATOM 0 HA ARG A 41 95.420 -5.419 8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.399 -4.964 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 41 96.736 -3.355 10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.724 -4.390 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 94.502 -4.699 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 41 96.693 -6.613 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 94.981 -6.751 11.884 1.00 0.00 H new ATOM 0 HE ARG A 41 94.560 -7.307 9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 41 97.955 -7.107 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 98.518 -8.070 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 41 95.298 -8.550 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 41 97.024 -8.881 7.607 1.00 0.00 H new ATOM 921 N MET A 42 93.576 -3.776 8.197 1.00 0.00 N ATOM 922 CA MET A 42 92.461 -2.843 8.134 1.00 0.00 C ATOM 923 C MET A 42 91.726 -2.833 9.468 1.00 0.00 C ATOM 924 O MET A 42 91.320 -3.886 9.960 1.00 0.00 O ATOM 925 CB MET A 42 91.484 -3.252 7.022 1.00 0.00 C ATOM 926 CG MET A 42 90.286 -2.323 6.903 1.00 0.00 C ATOM 927 SD MET A 42 88.897 -3.077 6.029 1.00 0.00 S ATOM 928 CE MET A 42 89.621 -3.363 4.419 1.00 0.00 C ATOM 0 H MET A 42 93.302 -4.759 8.184 1.00 0.00 H new ATOM 0 HA MET A 42 92.850 -1.848 7.919 1.00 0.00 H new ATOM 0 HB2 MET A 42 92.015 -3.272 6.070 1.00 0.00 H new ATOM 0 HB3 MET A 42 91.132 -4.266 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.963 -2.025 7.901 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.587 -1.415 6.381 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.831 -3.431 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.288 -2.538 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.186 -4.295 4.435 1.00 0.00 H new ATOM 938 N GLY A 43 91.563 -1.657 10.061 1.00 0.00 N ATOM 939 CA GLY A 43 90.879 -1.577 11.329 1.00 0.00 C ATOM 940 C GLY A 43 90.149 -0.265 11.527 1.00 0.00 C ATOM 941 O GLY A 43 90.633 0.791 11.114 1.00 0.00 O ATOM 0 H GLY A 43 91.891 -0.766 9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 43 90.166 -2.398 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.602 -1.709 12.134 1.00 0.00 H new ATOM 945 N PHE A 44 88.978 -0.332 12.137 1.00 0.00 N ATOM 946 CA PHE A 44 88.240 0.870 12.494 1.00 0.00 C ATOM 947 C PHE A 44 88.884 1.513 13.715 1.00 0.00 C ATOM 948 O PHE A 44 89.111 0.845 14.730 1.00 0.00 O ATOM 949 CB PHE A 44 86.770 0.554 12.767 1.00 0.00 C ATOM 950 CG PHE A 44 86.002 0.143 11.543 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.387 1.095 10.745 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.891 -1.192 11.191 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.677 0.722 9.620 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.184 -1.572 10.067 1.00 0.00 C ATOM 955 CZ PHE A 44 84.576 -0.612 9.279 1.00 0.00 C ATOM 0 H PHE A 44 88.517 -1.204 12.396 1.00 0.00 H new ATOM 0 HA PHE A 44 88.276 1.566 11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.711 -0.244 13.507 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.295 1.431 13.206 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.464 2.140 11.006 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.363 -1.946 11.803 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.201 1.474 9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 44 85.106 -2.617 9.804 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.023 -0.905 8.399 1.00 0.00 H new ATOM 965 N ASP A 45 89.177 2.797 13.617 1.00 0.00 N ATOM 966 CA ASP A 45 89.933 3.490 14.649 1.00 0.00 C ATOM 967 C ASP A 45 89.482 4.948 14.738 1.00 0.00 C ATOM 968 O ASP A 45 88.567 5.355 14.021 1.00 0.00 O ATOM 969 CB ASP A 45 91.426 3.395 14.316 1.00 0.00 C ATOM 970 CG ASP A 45 92.320 3.610 15.514 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.671 4.766 15.794 1.00 0.00 O ATOM 972 OD2 ASP A 45 92.692 2.618 16.172 1.00 0.00 O ATOM 0 H ASP A 45 88.902 3.385 12.830 1.00 0.00 H new ATOM 0 HA ASP A 45 89.755 3.026 15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.634 2.415 13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.669 4.134 13.553 1.00 0.00 H new ATOM 977 N ASP A 46 90.116 5.736 15.600 1.00 0.00 N ATOM 978 CA ASP A 46 89.721 7.131 15.785 1.00 0.00 C ATOM 979 C ASP A 46 90.212 7.989 14.626 1.00 0.00 C ATOM 980 O ASP A 46 91.016 7.547 13.804 1.00 0.00 O ATOM 981 CB ASP A 46 90.248 7.703 17.113 1.00 0.00 C ATOM 982 CG ASP A 46 91.755 7.929 17.133 1.00 0.00 C ATOM 983 OD1 ASP A 46 92.225 8.962 16.606 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.472 7.089 17.707 1.00 0.00 O ATOM 0 H ASP A 46 90.901 5.437 16.179 1.00 0.00 H new ATOM 0 HA ASP A 46 88.632 7.154 15.814 1.00 0.00 H new ATOM 0 HB2 ASP A 46 89.746 8.649 17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 46 89.982 7.022 17.922 1.00 0.00 H new ATOM 989 N LEU A 47 89.716 9.213 14.564 1.00 0.00 N ATOM 990 CA LEU A 47 90.122 10.143 13.530 1.00 0.00 C ATOM 991 C LEU A 47 91.159 11.104 14.097 1.00 0.00 C ATOM 992 O LEU A 47 90.825 12.059 14.800 1.00 0.00 O ATOM 993 CB LEU A 47 88.899 10.897 12.983 1.00 0.00 C ATOM 994 CG LEU A 47 89.121 11.701 11.692 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.802 11.904 10.967 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.757 13.054 11.984 1.00 0.00 C ATOM 0 H LEU A 47 89.030 9.585 15.221 1.00 0.00 H new ATOM 0 HA LEU A 47 90.571 9.598 12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.103 10.175 12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.543 11.579 13.755 1.00 0.00 H new ATOM 0 HG LEU A 47 89.801 11.131 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 47 87.973 12.475 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.373 10.934 10.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.112 12.449 11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.901 13.598 11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.105 13.628 12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.722 12.905 12.469 1.00 0.00 H new ATOM 1008 N THR A 48 92.417 10.821 13.820 1.00 0.00 N ATOM 1009 CA THR A 48 93.502 11.662 14.280 1.00 0.00 C ATOM 1010 C THR A 48 93.721 12.816 13.302 1.00 0.00 C ATOM 1011 O THR A 48 93.853 12.603 12.099 1.00 0.00 O ATOM 1012 CB THR A 48 94.792 10.837 14.433 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.518 9.650 15.197 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.884 11.642 15.123 1.00 0.00 C ATOM 0 H THR A 48 92.713 10.011 13.276 1.00 0.00 H new ATOM 0 HA THR A 48 93.238 12.073 15.254 1.00 0.00 H new ATOM 0 HB THR A 48 95.142 10.567 13.437 1.00 0.00 H new ATOM 0 HG1 THR A 48 93.672 9.760 15.680 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.782 11.032 15.216 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.109 12.531 14.533 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.544 11.941 16.115 1.00 0.00 H new ATOM 1022 N GLU A 49 93.749 14.037 13.820 1.00 0.00 N ATOM 1023 CA GLU A 49 93.851 15.224 12.976 1.00 0.00 C ATOM 1024 C GLU A 49 95.276 15.403 12.440 1.00 0.00 C ATOM 1025 O GLU A 49 95.512 16.162 11.502 1.00 0.00 O ATOM 1026 CB GLU A 49 93.402 16.456 13.766 1.00 0.00 C ATOM 1027 CG GLU A 49 93.207 17.700 12.917 1.00 0.00 C ATOM 1028 CD GLU A 49 92.467 18.792 13.659 1.00 0.00 C ATOM 1029 OE1 GLU A 49 93.107 19.533 14.432 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.238 18.906 13.477 1.00 0.00 O ATOM 0 H GLU A 49 93.703 14.233 14.820 1.00 0.00 H new ATOM 0 HA GLU A 49 93.195 15.098 12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 49 92.466 16.226 14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.141 16.668 14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 49 94.179 18.075 12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 49 92.654 17.438 12.015 1.00 0.00 H new ATOM 1037 N ASP A 50 96.220 14.685 13.035 1.00 0.00 N ATOM 1038 CA ASP A 50 97.608 14.704 12.575 1.00 0.00 C ATOM 1039 C ASP A 50 97.840 13.586 11.559 1.00 0.00 C ATOM 1040 O ASP A 50 98.925 13.440 10.996 1.00 0.00 O ATOM 1041 CB ASP A 50 98.563 14.548 13.766 1.00 0.00 C ATOM 1042 CG ASP A 50 100.028 14.667 13.377 1.00 0.00 C ATOM 1043 OD1 ASP A 50 100.420 15.721 12.829 1.00 0.00 O ATOM 1044 OD2 ASP A 50 100.795 13.707 13.619 1.00 0.00 O ATOM 0 H ASP A 50 96.052 14.080 13.839 1.00 0.00 H new ATOM 0 HA ASP A 50 97.806 15.661 12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.329 15.307 14.513 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.395 13.578 14.234 1.00 0.00 H new ATOM 1049 N ASP A 51 96.795 12.810 11.316 1.00 0.00 N ATOM 1050 CA ASP A 51 96.878 11.669 10.416 1.00 0.00 C ATOM 1051 C ASP A 51 96.538 12.110 8.988 1.00 0.00 C ATOM 1052 O ASP A 51 96.280 13.293 8.749 1.00 0.00 O ATOM 1053 CB ASP A 51 95.920 10.572 10.895 1.00 0.00 C ATOM 1054 CG ASP A 51 96.332 9.190 10.442 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.007 8.821 9.304 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.984 8.474 11.234 1.00 0.00 O ATOM 0 H ASP A 51 95.874 12.951 11.732 1.00 0.00 H new ATOM 0 HA ASP A 51 97.892 11.269 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.869 10.592 11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 51 94.917 10.786 10.525 1.00 0.00 H new ATOM 1061 N ILE A 52 96.528 11.175 8.047 1.00 0.00 N ATOM 1062 CA ILE A 52 96.275 11.512 6.650 1.00 0.00 C ATOM 1063 C ILE A 52 94.867 11.095 6.243 1.00 0.00 C ATOM 1064 O ILE A 52 94.574 9.909 6.096 1.00 0.00 O ATOM 1065 CB ILE A 52 97.304 10.856 5.699 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.718 11.343 6.030 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.960 11.165 4.245 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.794 10.728 5.161 1.00 0.00 C ATOM 0 H ILE A 52 96.691 10.183 8.222 1.00 0.00 H new ATOM 0 HA ILE A 52 96.375 12.594 6.562 1.00 0.00 H new ATOM 0 HB ILE A 52 97.267 9.776 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.753 12.427 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 52 98.935 11.118 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.694 10.696 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.968 10.776 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.972 12.244 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.767 11.121 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.787 9.645 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.603 10.974 4.117 1.00 0.00 H new ATOM 1080 N ARG A 53 94.006 12.083 6.066 1.00 0.00 N ATOM 1081 CA ARG A 53 92.615 11.838 5.725 1.00 0.00 C ATOM 1082 C ARG A 53 92.410 11.835 4.213 1.00 0.00 C ATOM 1083 O ARG A 53 92.694 12.820 3.529 1.00 0.00 O ATOM 1084 CB ARG A 53 91.719 12.905 6.357 1.00 0.00 C ATOM 1085 CG ARG A 53 91.696 12.873 7.877 1.00 0.00 C ATOM 1086 CD ARG A 53 90.842 13.999 8.437 1.00 0.00 C ATOM 1087 NE ARG A 53 89.495 13.995 7.869 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.736 15.078 7.735 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.104 16.230 8.283 1.00 0.00 N ATOM 1090 NH2 ARG A 53 87.583 14.997 7.086 1.00 0.00 N ATOM 0 H ARG A 53 94.249 13.070 6.154 1.00 0.00 H new ATOM 0 HA ARG A 53 92.345 10.856 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.057 13.888 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 53 90.702 12.777 5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 53 91.306 11.914 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 53 92.713 12.959 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.779 13.903 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.321 14.956 8.229 1.00 0.00 H new ATOM 0 HE ARG A 53 89.113 13.103 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.975 16.288 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.516 17.057 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.281 14.106 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.998 15.826 6.981 1.00 0.00 H new ATOM 1104 N LEU A 54 91.924 10.720 3.698 1.00 0.00 N ATOM 1105 CA LEU A 54 91.533 10.630 2.302 1.00 0.00 C ATOM 1106 C LEU A 54 90.114 10.084 2.198 1.00 0.00 C ATOM 1107 O LEU A 54 89.853 8.925 2.512 1.00 0.00 O ATOM 1108 CB LEU A 54 92.513 9.771 1.490 1.00 0.00 C ATOM 1109 CG LEU A 54 92.766 8.353 2.003 1.00 0.00 C ATOM 1110 CD1 LEU A 54 93.072 7.436 0.838 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.920 8.335 2.994 1.00 0.00 C ATOM 0 H LEU A 54 91.790 9.859 4.229 1.00 0.00 H new ATOM 0 HA LEU A 54 91.561 11.633 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.140 9.702 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 54 93.469 10.293 1.446 1.00 0.00 H new ATOM 0 HG LEU A 54 91.869 8.004 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.252 6.426 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.226 7.426 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.959 7.795 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 54 94.082 7.316 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.824 8.698 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.682 8.978 3.842 1.00 0.00 H new ATOM 1123 N THR A 55 89.200 10.937 1.779 1.00 0.00 N ATOM 1124 CA THR A 55 87.794 10.580 1.704 1.00 0.00 C ATOM 1125 C THR A 55 87.482 9.883 0.386 1.00 0.00 C ATOM 1126 O THR A 55 87.787 10.405 -0.688 1.00 0.00 O ATOM 1127 CB THR A 55 86.914 11.837 1.842 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.490 12.729 2.808 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.500 11.467 2.269 1.00 0.00 C ATOM 0 H THR A 55 89.407 11.891 1.483 1.00 0.00 H new ATOM 0 HA THR A 55 87.577 9.896 2.524 1.00 0.00 H new ATOM 0 HB THR A 55 86.865 12.329 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.014 12.640 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 55 84.899 12.372 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.055 10.809 1.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.533 10.955 3.231 1.00 0.00 H new ATOM 1137 N SER A 56 86.904 8.697 0.473 1.00 0.00 N ATOM 1138 CA SER A 56 86.501 7.955 -0.707 1.00 0.00 C ATOM 1139 C SER A 56 85.000 8.128 -0.948 1.00 0.00 C ATOM 1140 O SER A 56 84.349 8.935 -0.282 1.00 0.00 O ATOM 1141 CB SER A 56 86.854 6.475 -0.535 1.00 0.00 C ATOM 1142 OG SER A 56 88.224 6.322 -0.210 1.00 0.00 O ATOM 0 H SER A 56 86.703 8.226 1.355 1.00 0.00 H new ATOM 0 HA SER A 56 87.035 8.342 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 56 86.238 6.038 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 56 86.630 5.933 -1.454 1.00 0.00 H new ATOM 0 HG SER A 56 88.468 5.374 -0.259 1.00 0.00 H new ATOM 1148 N GLU A 57 84.458 7.358 -1.882 1.00 0.00 N ATOM 1149 CA GLU A 57 83.054 7.469 -2.254 1.00 0.00 C ATOM 1150 C GLU A 57 82.175 6.684 -1.289 1.00 0.00 C ATOM 1151 O GLU A 57 81.548 5.692 -1.662 1.00 0.00 O ATOM 1152 CB GLU A 57 82.843 6.973 -3.686 1.00 0.00 C ATOM 1153 CG GLU A 57 83.559 7.808 -4.733 1.00 0.00 C ATOM 1154 CD GLU A 57 83.051 9.234 -4.784 1.00 0.00 C ATOM 1155 OE1 GLU A 57 81.984 9.467 -5.396 1.00 0.00 O ATOM 1156 OE2 GLU A 57 83.700 10.126 -4.210 1.00 0.00 O ATOM 0 H GLU A 57 84.973 6.645 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 57 82.769 8.520 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.188 5.942 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.775 6.968 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 57 84.628 7.814 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.432 7.345 -5.712 1.00 0.00 H new ATOM 1163 N GLY A 58 82.167 7.118 -0.042 1.00 0.00 N ATOM 1164 CA GLY A 58 81.306 6.511 0.954 1.00 0.00 C ATOM 1165 C GLY A 58 81.951 6.466 2.323 1.00 0.00 C ATOM 1166 O GLY A 58 81.292 6.694 3.337 1.00 0.00 O ATOM 0 H GLY A 58 82.744 7.885 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 80.373 7.071 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.051 5.498 0.642 1.00 0.00 H new ATOM 1170 N VAL A 59 83.244 6.180 2.350 1.00 0.00 N ATOM 1171 CA VAL A 59 83.978 6.054 3.602 1.00 0.00 C ATOM 1172 C VAL A 59 85.258 6.875 3.530 1.00 0.00 C ATOM 1173 O VAL A 59 85.862 6.997 2.464 1.00 0.00 O ATOM 1174 CB VAL A 59 84.331 4.576 3.909 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.060 4.448 5.240 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.080 3.710 3.911 1.00 0.00 C ATOM 0 H VAL A 59 83.810 6.030 1.515 1.00 0.00 H new ATOM 0 HA VAL A 59 83.339 6.425 4.404 1.00 0.00 H new ATOM 0 HB VAL A 59 84.997 4.226 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.294 3.400 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 59 85.984 5.026 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.425 4.827 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.353 2.677 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.389 4.071 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.601 3.760 2.933 1.00 0.00 H new ATOM 1186 N GLU A 60 85.653 7.454 4.648 1.00 0.00 N ATOM 1187 CA GLU A 60 86.888 8.210 4.705 1.00 0.00 C ATOM 1188 C GLU A 60 87.985 7.348 5.315 1.00 0.00 C ATOM 1189 O GLU A 60 87.741 6.600 6.263 1.00 0.00 O ATOM 1190 CB GLU A 60 86.691 9.491 5.511 1.00 0.00 C ATOM 1191 CG GLU A 60 87.879 10.434 5.449 1.00 0.00 C ATOM 1192 CD GLU A 60 87.594 11.759 6.115 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.013 12.648 5.459 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.944 11.920 7.298 1.00 0.00 O ATOM 0 H GLU A 60 85.137 7.415 5.527 1.00 0.00 H new ATOM 0 HA GLU A 60 87.184 8.492 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.806 10.010 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.498 9.230 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.738 9.965 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.151 10.604 4.407 1.00 0.00 H new ATOM 1201 N ILE A 61 89.177 7.435 4.753 1.00 0.00 N ATOM 1202 CA ILE A 61 90.293 6.622 5.200 1.00 0.00 C ATOM 1203 C ILE A 61 91.347 7.495 5.864 1.00 0.00 C ATOM 1204 O ILE A 61 91.600 8.615 5.421 1.00 0.00 O ATOM 1205 CB ILE A 61 90.945 5.876 4.017 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.875 5.229 3.136 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.918 4.820 4.525 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.423 4.656 1.849 1.00 0.00 C ATOM 0 H ILE A 61 89.398 8.065 3.981 1.00 0.00 H new ATOM 0 HA ILE A 61 89.906 5.895 5.913 1.00 0.00 H new ATOM 0 HB ILE A 61 91.498 6.600 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.383 4.435 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 61 89.113 5.971 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.369 4.303 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.699 5.299 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.383 4.101 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.611 4.213 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.890 5.450 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.165 3.891 2.078 1.00 0.00 H new ATOM 1220 N VAL A 62 91.940 6.990 6.932 1.00 0.00 N ATOM 1221 CA VAL A 62 93.068 7.654 7.565 1.00 0.00 C ATOM 1222 C VAL A 62 94.265 6.712 7.617 1.00 0.00 C ATOM 1223 O VAL A 62 94.184 5.604 8.154 1.00 0.00 O ATOM 1224 CB VAL A 62 92.733 8.172 8.988 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.799 9.369 8.917 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.118 7.076 9.846 1.00 0.00 C ATOM 0 H VAL A 62 91.658 6.119 7.381 1.00 0.00 H new ATOM 0 HA VAL A 62 93.311 8.526 6.957 1.00 0.00 H new ATOM 0 HB VAL A 62 93.668 8.483 9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.576 9.717 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.277 10.171 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.873 9.079 8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.895 7.472 10.837 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.198 6.723 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.820 6.247 9.936 1.00 0.00 H new ATOM 1236 N ILE A 63 95.365 7.132 7.017 1.00 0.00 N ATOM 1237 CA ILE A 63 96.570 6.324 6.998 1.00 0.00 C ATOM 1238 C ILE A 63 97.767 7.147 7.441 1.00 0.00 C ATOM 1239 O ILE A 63 98.174 8.084 6.751 1.00 0.00 O ATOM 1240 CB ILE A 63 96.866 5.743 5.600 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.608 5.123 4.984 1.00 0.00 C ATOM 1242 CG2 ILE A 63 97.968 4.700 5.707 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.792 4.678 3.548 1.00 0.00 C ATOM 0 H ILE A 63 95.448 8.028 6.537 1.00 0.00 H new ATOM 0 HA ILE A 63 96.399 5.497 7.687 1.00 0.00 H new ATOM 0 HB ILE A 63 97.194 6.553 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.304 4.266 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.796 5.849 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.177 4.289 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.870 5.164 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.647 3.899 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.861 4.249 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.066 5.536 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.582 3.928 3.498 1.00 0.00 H new ATOM 1255 N ALA A 64 98.318 6.798 8.595 1.00 0.00 N ATOM 1256 CA ALA A 64 99.484 7.480 9.133 1.00 0.00 C ATOM 1257 C ALA A 64 100.631 7.481 8.127 1.00 0.00 C ATOM 1258 O ALA A 64 100.855 6.484 7.434 1.00 0.00 O ATOM 1259 CB ALA A 64 99.917 6.819 10.433 1.00 0.00 C ATOM 0 H ALA A 64 97.971 6.039 9.181 1.00 0.00 H new ATOM 0 HA ALA A 64 99.215 8.517 9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.791 7.335 10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.104 6.873 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.167 5.775 10.245 1.00 0.00 H new ATOM 1265 N PRO A 65 101.369 8.604 8.034 1.00 0.00 N ATOM 1266 CA PRO A 65 102.480 8.765 7.085 1.00 0.00 C ATOM 1267 C PRO A 65 103.474 7.605 7.119 1.00 0.00 C ATOM 1268 O PRO A 65 104.073 7.258 6.102 1.00 0.00 O ATOM 1269 CB PRO A 65 103.152 10.057 7.546 1.00 0.00 C ATOM 1270 CG PRO A 65 102.065 10.834 8.201 1.00 0.00 C ATOM 1271 CD PRO A 65 101.162 9.820 8.846 1.00 0.00 C ATOM 0 HA PRO A 65 102.124 8.789 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 65 103.967 9.854 8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.578 10.604 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.470 11.523 8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.520 11.434 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.427 9.654 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.121 10.142 8.828 1.00 0.00 H new ATOM 1279 N ASP A 66 103.641 7.007 8.290 1.00 0.00 N ATOM 1280 CA ASP A 66 104.530 5.863 8.440 1.00 0.00 C ATOM 1281 C ASP A 66 103.982 4.645 7.698 1.00 0.00 C ATOM 1282 O ASP A 66 104.694 4.013 6.913 1.00 0.00 O ATOM 1283 CB ASP A 66 104.724 5.536 9.922 1.00 0.00 C ATOM 1284 CG ASP A 66 105.529 4.272 10.142 1.00 0.00 C ATOM 1285 OD1 ASP A 66 106.766 4.309 9.967 1.00 0.00 O ATOM 1286 OD2 ASP A 66 104.930 3.243 10.507 1.00 0.00 O ATOM 0 H ASP A 66 103.173 7.294 9.150 1.00 0.00 H new ATOM 0 HA ASP A 66 105.495 6.121 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.226 6.371 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 103.749 5.428 10.397 1.00 0.00 H new ATOM 1291 N TYR A 67 102.705 4.348 7.919 1.00 0.00 N ATOM 1292 CA TYR A 67 102.078 3.159 7.343 1.00 0.00 C ATOM 1293 C TYR A 67 101.774 3.350 5.859 1.00 0.00 C ATOM 1294 O TYR A 67 101.811 2.396 5.082 1.00 0.00 O ATOM 1295 CB TYR A 67 100.775 2.817 8.073 1.00 0.00 C ATOM 1296 CG TYR A 67 100.938 2.500 9.542 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.742 1.451 9.967 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.265 3.242 10.503 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.872 1.152 11.311 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.393 2.953 11.848 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.197 1.907 12.247 1.00 0.00 C ATOM 1302 OH TYR A 67 101.324 1.612 13.586 1.00 0.00 O ATOM 0 H TYR A 67 102.081 4.915 8.494 1.00 0.00 H new ATOM 0 HA TYR A 67 102.789 2.341 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.086 3.656 7.971 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.312 1.962 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.274 0.859 9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.630 4.059 10.194 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.499 0.331 11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.866 3.544 12.583 1.00 0.00 H new ATOM 0 HH TYR A 67 100.785 2.239 14.112 1.00 0.00 H new ATOM 1312 N VAL A 68 101.477 4.587 5.472 1.00 0.00 N ATOM 1313 CA VAL A 68 101.054 4.891 4.104 1.00 0.00 C ATOM 1314 C VAL A 68 102.180 4.647 3.097 1.00 0.00 C ATOM 1315 O VAL A 68 101.949 4.588 1.890 1.00 0.00 O ATOM 1316 CB VAL A 68 100.560 6.354 3.987 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.724 7.331 3.927 1.00 0.00 C ATOM 1318 CG2 VAL A 68 99.650 6.524 2.785 1.00 0.00 C ATOM 0 H VAL A 68 101.521 5.399 6.087 1.00 0.00 H new ATOM 0 HA VAL A 68 100.230 4.217 3.870 1.00 0.00 H new ATOM 0 HB VAL A 68 99.985 6.580 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.341 8.348 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.322 7.240 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 68 102.344 7.106 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 68 99.316 7.560 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 68 100.194 6.265 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 68 98.784 5.870 2.888 1.00 0.00 H new ATOM 1328 N SER A 69 103.391 4.467 3.610 1.00 0.00 N ATOM 1329 CA SER A 69 104.573 4.279 2.779 1.00 0.00 C ATOM 1330 C SER A 69 104.490 3.000 1.939 1.00 0.00 C ATOM 1331 O SER A 69 105.287 2.801 1.023 1.00 0.00 O ATOM 1332 CB SER A 69 105.815 4.238 3.669 1.00 0.00 C ATOM 1333 OG SER A 69 105.880 5.385 4.507 1.00 0.00 O ATOM 0 H SER A 69 103.581 4.447 4.612 1.00 0.00 H new ATOM 0 HA SER A 69 104.634 5.118 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 105.798 3.336 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.710 4.185 3.049 1.00 0.00 H new ATOM 0 HG SER A 69 105.540 5.159 5.398 1.00 0.00 H new ATOM 1339 N LEU A 70 103.533 2.135 2.249 1.00 0.00 N ATOM 1340 CA LEU A 70 103.400 0.868 1.540 1.00 0.00 C ATOM 1341 C LEU A 70 102.032 0.742 0.873 1.00 0.00 C ATOM 1342 O LEU A 70 101.759 -0.233 0.176 1.00 0.00 O ATOM 1343 CB LEU A 70 103.596 -0.295 2.515 1.00 0.00 C ATOM 1344 CG LEU A 70 104.916 -0.287 3.287 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.931 -1.398 4.321 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.092 -0.430 2.336 1.00 0.00 C ATOM 0 H LEU A 70 102.841 2.286 2.983 1.00 0.00 H new ATOM 0 HA LEU A 70 104.165 0.838 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.775 -0.288 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.526 -1.230 1.958 1.00 0.00 H new ATOM 0 HG LEU A 70 105.007 0.668 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.877 -1.379 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.109 -1.254 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.818 -2.361 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.022 -0.422 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.007 -1.370 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.091 0.400 1.629 1.00 0.00 H new ATOM 1358 N LEU A 71 101.184 1.741 1.070 1.00 0.00 N ATOM 1359 CA LEU A 71 99.788 1.637 0.660 1.00 0.00 C ATOM 1360 C LEU A 71 99.464 2.547 -0.518 1.00 0.00 C ATOM 1361 O LEU A 71 98.292 2.757 -0.832 1.00 0.00 O ATOM 1362 CB LEU A 71 98.877 1.973 1.842 1.00 0.00 C ATOM 1363 CG LEU A 71 98.901 0.958 2.985 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.123 1.479 4.179 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.326 -0.369 2.522 1.00 0.00 C ATOM 0 H LEU A 71 101.434 2.628 1.508 1.00 0.00 H new ATOM 0 HA LEU A 71 99.616 0.611 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.163 2.948 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.854 2.064 1.478 1.00 0.00 H new ATOM 0 HG LEU A 71 99.937 0.806 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.152 0.742 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.569 2.411 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.088 1.659 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.349 -1.083 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.296 -0.225 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.920 -0.753 1.692 1.00 0.00 H new ATOM 1377 N ASP A 72 100.495 3.062 -1.179 1.00 0.00 N ATOM 1378 CA ASP A 72 100.308 4.013 -2.272 1.00 0.00 C ATOM 1379 C ASP A 72 99.428 3.440 -3.391 1.00 0.00 C ATOM 1380 O ASP A 72 98.287 3.857 -3.553 1.00 0.00 O ATOM 1381 CB ASP A 72 101.659 4.502 -2.821 1.00 0.00 C ATOM 1382 CG ASP A 72 102.591 3.379 -3.231 1.00 0.00 C ATOM 1383 OD1 ASP A 72 103.274 2.818 -2.351 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.650 3.062 -4.435 1.00 0.00 O ATOM 0 H ASP A 72 101.470 2.838 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 72 99.781 4.874 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.480 5.146 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.150 5.112 -2.063 1.00 0.00 H new ATOM 1389 N GLN A 73 99.932 2.476 -4.146 1.00 0.00 N ATOM 1390 CA GLN A 73 99.166 1.903 -5.252 1.00 0.00 C ATOM 1391 C GLN A 73 98.365 0.685 -4.806 1.00 0.00 C ATOM 1392 O GLN A 73 97.983 -0.154 -5.626 1.00 0.00 O ATOM 1393 CB GLN A 73 100.089 1.529 -6.413 1.00 0.00 C ATOM 1394 CG GLN A 73 100.677 2.732 -7.132 1.00 0.00 C ATOM 1395 CD GLN A 73 101.561 2.341 -8.298 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.192 1.282 -8.288 1.00 0.00 O ATOM 1397 NE2 GLN A 73 101.622 3.191 -9.311 1.00 0.00 N ATOM 0 H GLN A 73 100.861 2.074 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 73 98.463 2.664 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.902 0.909 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 73 99.532 0.924 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 73 99.867 3.367 -7.492 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.257 3.325 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 73 101.085 4.058 -9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 73 102.206 2.979 -10.120 1.00 0.00 H new ATOM 1406 N THR A 74 98.072 0.601 -3.521 1.00 0.00 N ATOM 1407 CA THR A 74 97.327 -0.522 -2.990 1.00 0.00 C ATOM 1408 C THR A 74 95.843 -0.395 -3.324 1.00 0.00 C ATOM 1409 O THR A 74 95.177 0.566 -2.924 1.00 0.00 O ATOM 1410 CB THR A 74 97.517 -0.652 -1.471 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.913 -0.740 -1.167 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.800 -1.879 -0.932 1.00 0.00 C ATOM 0 H THR A 74 98.340 1.299 -2.827 1.00 0.00 H new ATOM 0 HA THR A 74 97.717 -1.425 -3.460 1.00 0.00 H new ATOM 0 HB THR A 74 97.089 0.231 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 74 99.052 -1.398 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.952 -1.945 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.734 -1.800 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.199 -2.773 -1.410 1.00 0.00 H new ATOM 1420 N THR A 75 95.341 -1.348 -4.088 1.00 0.00 N ATOM 1421 CA THR A 75 93.940 -1.385 -4.463 1.00 0.00 C ATOM 1422 C THR A 75 93.170 -2.325 -3.539 1.00 0.00 C ATOM 1423 O THR A 75 93.649 -3.416 -3.221 1.00 0.00 O ATOM 1424 CB THR A 75 93.790 -1.851 -5.923 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.711 -1.127 -6.747 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.371 -1.636 -6.430 1.00 0.00 C ATOM 0 H THR A 75 95.893 -2.118 -4.466 1.00 0.00 H new ATOM 0 HA THR A 75 93.530 -0.379 -4.368 1.00 0.00 H new ATOM 0 HB THR A 75 94.006 -2.919 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.620 -1.422 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.299 -1.975 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.674 -2.203 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.123 -0.576 -6.378 1.00 0.00 H new ATOM 1434 N LEU A 76 91.992 -1.898 -3.102 1.00 0.00 N ATOM 1435 CA LEU A 76 91.182 -2.695 -2.198 1.00 0.00 C ATOM 1436 C LEU A 76 89.897 -3.148 -2.883 1.00 0.00 C ATOM 1437 O LEU A 76 89.131 -2.328 -3.403 1.00 0.00 O ATOM 1438 CB LEU A 76 90.848 -1.891 -0.939 1.00 0.00 C ATOM 1439 CG LEU A 76 90.156 -2.680 0.173 1.00 0.00 C ATOM 1440 CD1 LEU A 76 91.080 -3.764 0.708 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.719 -1.753 1.294 1.00 0.00 C ATOM 0 H LEU A 76 91.578 -1.002 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 76 91.754 -3.579 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.771 -1.468 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.209 -1.054 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 76 89.268 -3.156 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.573 -4.317 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.345 -4.447 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.985 -3.306 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.229 -2.333 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.591 -1.248 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.023 -1.011 0.902 1.00 0.00 H new ATOM 1453 N ASP A 77 89.676 -4.454 -2.883 1.00 0.00 N ATOM 1454 CA ASP A 77 88.482 -5.041 -3.484 1.00 0.00 C ATOM 1455 C ASP A 77 87.937 -6.134 -2.576 1.00 0.00 C ATOM 1456 O ASP A 77 88.687 -6.719 -1.793 1.00 0.00 O ATOM 1457 CB ASP A 77 88.812 -5.616 -4.866 1.00 0.00 C ATOM 1458 CG ASP A 77 87.609 -6.232 -5.559 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.507 -5.645 -5.494 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.759 -7.312 -6.173 1.00 0.00 O ATOM 0 H ASP A 77 90.313 -5.135 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 77 87.725 -4.266 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.219 -4.824 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.590 -6.372 -4.762 1.00 0.00 H new ATOM 1465 N TYR A 78 86.644 -6.402 -2.661 1.00 0.00 N ATOM 1466 CA TYR A 78 86.035 -7.429 -1.830 1.00 0.00 C ATOM 1467 C TYR A 78 85.697 -8.653 -2.671 1.00 0.00 C ATOM 1468 O TYR A 78 84.950 -8.572 -3.648 1.00 0.00 O ATOM 1469 CB TYR A 78 84.788 -6.896 -1.102 1.00 0.00 C ATOM 1470 CG TYR A 78 83.579 -6.646 -1.983 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.496 -5.522 -2.794 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.512 -7.538 -1.990 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.388 -5.295 -3.587 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.401 -7.315 -2.778 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.343 -6.194 -3.575 1.00 0.00 C ATOM 1476 OH TYR A 78 80.231 -5.966 -4.356 1.00 0.00 O ATOM 0 H TYR A 78 85.999 -5.927 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 78 86.756 -7.721 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.509 -7.608 -0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.051 -5.964 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.311 -4.814 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.553 -8.420 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.341 -4.417 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.580 -8.017 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 78 79.589 -6.696 -4.232 1.00 0.00 H new ATOM 1486 N VAL A 79 86.270 -9.784 -2.305 1.00 0.00 N ATOM 1487 CA VAL A 79 86.056 -11.016 -3.044 1.00 0.00 C ATOM 1488 C VAL A 79 85.498 -12.098 -2.135 1.00 0.00 C ATOM 1489 O VAL A 79 85.755 -12.110 -0.928 1.00 0.00 O ATOM 1490 CB VAL A 79 87.355 -11.529 -3.701 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.882 -10.527 -4.715 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.414 -11.833 -2.650 1.00 0.00 C ATOM 0 H VAL A 79 86.888 -9.876 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 79 85.337 -10.789 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 79 87.120 -12.455 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.798 -10.911 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 79 87.135 -10.369 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 79 88.092 -9.581 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.319 -12.193 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.641 -10.926 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.041 -12.598 -1.969 1.00 0.00 H new ATOM 1502 N GLU A 80 84.731 -13.002 -2.715 1.00 0.00 N ATOM 1503 CA GLU A 80 84.190 -14.118 -1.970 1.00 0.00 C ATOM 1504 C GLU A 80 85.050 -15.355 -2.195 1.00 0.00 C ATOM 1505 O GLU A 80 84.863 -16.089 -3.166 1.00 0.00 O ATOM 1506 CB GLU A 80 82.742 -14.391 -2.376 1.00 0.00 C ATOM 1507 CG GLU A 80 82.113 -15.548 -1.622 1.00 0.00 C ATOM 1508 CD GLU A 80 80.696 -15.828 -2.058 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.493 -16.189 -3.238 1.00 0.00 O ATOM 1510 OE2 GLU A 80 79.777 -15.680 -1.229 1.00 0.00 O ATOM 0 H GLU A 80 84.470 -12.983 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 80 84.200 -13.867 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.149 -13.492 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.705 -14.601 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.717 -16.443 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.123 -15.329 -0.554 1.00 0.00 H new ATOM 1517 N LEU A 81 86.015 -15.554 -1.307 1.00 0.00 N ATOM 1518 CA LEU A 81 86.904 -16.708 -1.385 1.00 0.00 C ATOM 1519 C LEU A 81 86.136 -17.976 -1.048 1.00 0.00 C ATOM 1520 O LEU A 81 86.388 -19.043 -1.605 1.00 0.00 O ATOM 1521 CB LEU A 81 88.084 -16.536 -0.425 1.00 0.00 C ATOM 1522 CG LEU A 81 88.975 -15.322 -0.700 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.057 -15.198 0.361 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.594 -15.422 -2.086 1.00 0.00 C ATOM 0 H LEU A 81 86.203 -14.930 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 81 87.291 -16.786 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.697 -16.460 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 81 88.699 -17.435 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 81 88.356 -14.426 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.679 -14.329 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 81 89.594 -15.080 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.675 -16.096 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.225 -14.551 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.198 -16.327 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.804 -15.459 -2.836 1.00 0.00 H new ATOM 1536 N GLU A 82 85.197 -17.836 -0.129 1.00 0.00 N ATOM 1537 CA GLU A 82 84.328 -18.928 0.269 1.00 0.00 C ATOM 1538 C GLU A 82 82.907 -18.405 0.382 1.00 0.00 C ATOM 1539 O GLU A 82 82.704 -17.302 0.888 1.00 0.00 O ATOM 1540 CB GLU A 82 84.778 -19.517 1.607 1.00 0.00 C ATOM 1541 CG GLU A 82 86.174 -20.112 1.575 1.00 0.00 C ATOM 1542 CD GLU A 82 86.609 -20.627 2.925 1.00 0.00 C ATOM 1543 OE1 GLU A 82 87.199 -19.847 3.699 1.00 0.00 O ATOM 1544 OE2 GLU A 82 86.362 -21.813 3.219 1.00 0.00 O ATOM 0 H GLU A 82 85.016 -16.961 0.363 1.00 0.00 H new ATOM 0 HA GLU A 82 84.376 -19.718 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.743 -18.737 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.071 -20.289 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.203 -20.927 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 82 86.881 -19.356 1.232 1.00 0.00 H new ATOM 1551 N PRO A 83 81.916 -19.174 -0.100 1.00 0.00 N ATOM 1552 CA PRO A 83 80.508 -18.767 -0.093 1.00 0.00 C ATOM 1553 C PRO A 83 80.070 -18.190 1.252 1.00 0.00 C ATOM 1554 O PRO A 83 80.062 -18.886 2.272 1.00 0.00 O ATOM 1555 CB PRO A 83 79.742 -20.064 -0.403 1.00 0.00 C ATOM 1556 CG PRO A 83 80.764 -21.156 -0.404 1.00 0.00 C ATOM 1557 CD PRO A 83 82.083 -20.503 -0.692 1.00 0.00 C ATOM 0 HA PRO A 83 80.320 -17.972 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 83 78.972 -20.251 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 83 79.239 -19.999 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 83 80.786 -21.668 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 83 80.529 -21.906 -1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 83 82.912 -21.047 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 83 82.283 -20.448 -1.762 1.00 0.00 H new ATOM 1565 N GLY A 84 79.741 -16.904 1.250 1.00 0.00 N ATOM 1566 CA GLY A 84 79.303 -16.246 2.463 1.00 0.00 C ATOM 1567 C GLY A 84 80.362 -15.332 3.047 1.00 0.00 C ATOM 1568 O GLY A 84 80.052 -14.431 3.828 1.00 0.00 O ATOM 0 H GLY A 84 79.770 -16.304 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.404 -15.666 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.031 -16.999 3.202 1.00 0.00 H new ATOM 1572 N GLN A 85 81.613 -15.550 2.667 1.00 0.00 N ATOM 1573 CA GLN A 85 82.716 -14.761 3.195 1.00 0.00 C ATOM 1574 C GLN A 85 83.225 -13.765 2.162 1.00 0.00 C ATOM 1575 O GLN A 85 83.980 -14.124 1.256 1.00 0.00 O ATOM 1576 CB GLN A 85 83.875 -15.652 3.640 1.00 0.00 C ATOM 1577 CG GLN A 85 83.523 -16.639 4.736 1.00 0.00 C ATOM 1578 CD GLN A 85 84.751 -17.325 5.301 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.837 -16.740 5.343 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.598 -18.570 5.715 1.00 0.00 N ATOM 0 H GLN A 85 81.889 -16.266 1.995 1.00 0.00 H new ATOM 0 HA GLN A 85 82.331 -14.219 4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.245 -16.204 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.691 -15.019 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 85 82.998 -16.119 5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 85 82.838 -17.390 4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 85 83.682 -19.016 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 85 85.396 -19.085 6.087 1.00 0.00 H new ATOM 1589 N PHE A 86 82.807 -12.520 2.301 1.00 0.00 N ATOM 1590 CA PHE A 86 83.306 -11.455 1.450 1.00 0.00 C ATOM 1591 C PHE A 86 84.478 -10.770 2.134 1.00 0.00 C ATOM 1592 O PHE A 86 84.297 -10.027 3.100 1.00 0.00 O ATOM 1593 CB PHE A 86 82.198 -10.445 1.142 1.00 0.00 C ATOM 1594 CG PHE A 86 81.035 -11.045 0.406 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.053 -11.147 -0.975 1.00 0.00 C ATOM 1596 CD2 PHE A 86 79.928 -11.512 1.096 1.00 0.00 C ATOM 1597 CE1 PHE A 86 79.988 -11.705 -1.654 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.861 -12.071 0.421 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.890 -12.168 -0.955 1.00 0.00 C ATOM 0 H PHE A 86 82.123 -12.221 2.996 1.00 0.00 H new ATOM 0 HA PHE A 86 83.642 -11.882 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 86 81.843 -10.010 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.613 -9.630 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 86 81.909 -10.786 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 86 79.899 -11.438 2.173 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.013 -11.779 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.004 -12.432 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.056 -12.605 -1.484 1.00 0.00 H new ATOM 1609 N HIS A 87 85.676 -11.048 1.648 1.00 0.00 N ATOM 1610 CA HIS A 87 86.890 -10.531 2.263 1.00 0.00 C ATOM 1611 C HIS A 87 87.450 -9.370 1.463 1.00 0.00 C ATOM 1612 O HIS A 87 87.502 -9.422 0.233 1.00 0.00 O ATOM 1613 CB HIS A 87 87.958 -11.625 2.371 1.00 0.00 C ATOM 1614 CG HIS A 87 87.686 -12.654 3.423 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.183 -12.567 4.705 1.00 0.00 N ATOM 1616 CD2 HIS A 87 86.976 -13.805 3.375 1.00 0.00 C ATOM 1617 CE1 HIS A 87 87.791 -13.618 5.398 1.00 0.00 C ATOM 1618 NE2 HIS A 87 87.057 -14.387 4.615 1.00 0.00 N ATOM 0 H HIS A 87 85.836 -11.631 0.826 1.00 0.00 H new ATOM 0 HA HIS A 87 86.626 -10.186 3.263 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.048 -12.124 1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.920 -11.157 2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 87 86.444 -14.194 2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 87 88.030 -13.816 6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 87 86.622 -15.269 4.887 1.00 0.00 H new ATOM 1627 N PHE A 88 87.854 -8.325 2.165 1.00 0.00 N ATOM 1628 CA PHE A 88 88.559 -7.218 1.543 1.00 0.00 C ATOM 1629 C PHE A 88 90.014 -7.605 1.347 1.00 0.00 C ATOM 1630 O PHE A 88 90.734 -7.844 2.320 1.00 0.00 O ATOM 1631 CB PHE A 88 88.486 -5.962 2.410 1.00 0.00 C ATOM 1632 CG PHE A 88 87.095 -5.461 2.664 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.412 -4.753 1.690 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.478 -5.683 3.884 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.140 -4.275 1.929 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.205 -5.211 4.127 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.537 -4.504 3.149 1.00 0.00 C ATOM 0 H PHE A 88 87.705 -8.220 3.169 1.00 0.00 H new ATOM 0 HA PHE A 88 88.088 -7.002 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 88 88.965 -6.168 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.062 -5.171 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 88 86.880 -4.573 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.000 -6.232 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.617 -3.722 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 88 84.732 -5.395 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.542 -4.130 3.338 1.00 0.00 H new ATOM 1647 N ILE A 89 90.447 -7.684 0.105 1.00 0.00 N ATOM 1648 CA ILE A 89 91.811 -8.081 -0.185 1.00 0.00 C ATOM 1649 C ILE A 89 92.630 -6.899 -0.678 1.00 0.00 C ATOM 1650 O ILE A 89 92.162 -6.094 -1.493 1.00 0.00 O ATOM 1651 CB ILE A 89 91.873 -9.224 -1.222 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.182 -8.816 -2.527 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.236 -10.484 -0.652 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.298 -9.852 -3.625 1.00 0.00 C ATOM 0 H ILE A 89 89.878 -7.480 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 89 92.236 -8.447 0.750 1.00 0.00 H new ATOM 0 HB ILE A 89 92.920 -9.430 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.127 -8.628 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.612 -7.878 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.285 -11.283 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.772 -10.788 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.194 -10.284 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.786 -9.495 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.350 -10.023 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.842 -10.785 -3.294 1.00 0.00 H new ATOM 1666 N PHE A 90 93.839 -6.779 -0.156 1.00 0.00 N ATOM 1667 CA PHE A 90 94.762 -5.755 -0.604 1.00 0.00 C ATOM 1668 C PHE A 90 95.562 -6.275 -1.789 1.00 0.00 C ATOM 1669 O PHE A 90 96.538 -7.012 -1.621 1.00 0.00 O ATOM 1670 CB PHE A 90 95.699 -5.327 0.530 1.00 0.00 C ATOM 1671 CG PHE A 90 94.997 -4.661 1.684 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.780 -3.291 1.684 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.561 -5.401 2.771 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.142 -2.676 2.744 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.924 -4.792 3.834 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.714 -3.426 3.820 1.00 0.00 C ATOM 0 H PHE A 90 94.204 -7.382 0.582 1.00 0.00 H new ATOM 0 HA PHE A 90 94.191 -4.879 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.231 -6.204 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.448 -4.644 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 90 95.114 -2.698 0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.722 -6.469 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.978 -1.609 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.590 -5.382 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.216 -2.947 4.650 1.00 0.00 H new ATOM 1686 N LEU A 91 95.117 -5.915 -2.986 1.00 0.00 N ATOM 1687 CA LEU A 91 95.746 -6.376 -4.217 1.00 0.00 C ATOM 1688 C LEU A 91 97.156 -5.822 -4.342 1.00 0.00 C ATOM 1689 O LEU A 91 98.129 -6.572 -4.371 1.00 0.00 O ATOM 1690 CB LEU A 91 94.916 -5.940 -5.428 1.00 0.00 C ATOM 1691 CG LEU A 91 93.498 -6.508 -5.492 1.00 0.00 C ATOM 1692 CD1 LEU A 91 92.718 -5.866 -6.629 1.00 0.00 C ATOM 1693 CD2 LEU A 91 93.539 -8.018 -5.667 1.00 0.00 C ATOM 0 H LEU A 91 94.316 -5.300 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 91 95.798 -7.464 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.853 -4.852 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.447 -6.231 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 91 92.993 -6.280 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 91 91.711 -6.282 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.661 -4.789 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.222 -6.066 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.522 -8.407 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.061 -8.263 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.063 -8.468 -4.824 1.00 0.00 H new ATOM 1705 N ASN A 92 97.237 -4.498 -4.392 1.00 0.00 N ATOM 1706 CA ASN A 92 98.502 -3.788 -4.578 1.00 0.00 C ATOM 1707 C ASN A 92 99.201 -4.255 -5.858 1.00 0.00 C ATOM 1708 O ASN A 92 100.114 -5.080 -5.811 1.00 0.00 O ATOM 1709 CB ASN A 92 99.428 -3.978 -3.366 1.00 0.00 C ATOM 1710 CG ASN A 92 100.726 -3.195 -3.488 1.00 0.00 C ATOM 1711 OD1 ASN A 92 100.762 -2.116 -4.078 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.798 -3.739 -2.928 1.00 0.00 N ATOM 0 H ASN A 92 96.428 -3.883 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 92 98.277 -2.726 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 92 98.905 -3.666 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 92 99.657 -5.038 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 92 102.697 -3.260 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.723 -4.636 -2.448 1.00 0.00 H new