USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 358 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 30 CYS SG : rot -130:sc= 0.00443 USER MOD Set 1.2: A 33 CYS SG : rot 164:sc= 1.75 USER MOD Set 1.3: A 63 CYS SG : rot -134:sc= -1.59! USER MOD Set 1.4: A 66 CYS SG : rot -118:sc= 0.977 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 0.204 (180deg=-0.319) USER MOD Single : A 32 GLN : amide:sc= 0.954 K(o=0.95,f=-1.1) USER MOD Single : A 37 TYR OH : rot -163:sc= 0.104 USER MOD Single : A 52 THR OG1 : rot 86:sc= 0.766 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 1.59 (180deg=1.57) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 75 MET CE :methyl -140:sc= -0.0924 (180deg=-0.448) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 67.050 -7.390 -7.347 1.00 42.41 N ATOM 351 CA TYR A 25 66.373 -8.559 -7.881 1.00 12.14 C ATOM 352 C TYR A 25 66.011 -8.321 -9.336 1.00 32.30 C ATOM 353 O TYR A 25 66.038 -7.184 -9.802 1.00 32.03 O ATOM 354 CB TYR A 25 65.128 -8.886 -7.056 1.00 42.40 C ATOM 355 CG TYR A 25 65.445 -9.538 -5.730 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.660 -10.907 -5.650 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.546 -8.790 -4.564 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.967 -11.512 -4.451 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.851 -9.393 -3.357 1.00 35.34 C ATOM 360 CZ TYR A 25 66.062 -10.753 -3.309 1.00 72.10 C ATOM 361 OH TYR A 25 66.383 -11.357 -2.116 1.00 54.31 O ATOM 0 HA TYR A 25 67.045 -9.415 -7.822 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.568 -7.968 -6.877 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.481 -9.547 -7.633 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.585 -11.509 -6.544 1.00 12.22 H new ATOM 0 HD2 TYR A 25 65.384 -7.723 -4.600 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.132 -12.578 -4.409 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.923 -8.800 -2.457 1.00 35.34 H new ATOM 0 HH TYR A 25 66.411 -10.683 -1.405 1.00 54.31 H new ATOM 371 N LYS A 26 65.704 -9.384 -10.058 1.00 31.42 N ATOM 372 CA LYS A 26 65.383 -9.269 -11.470 1.00 10.43 C ATOM 373 C LYS A 26 63.920 -9.594 -11.746 1.00 64.22 C ATOM 374 O LYS A 26 63.203 -10.142 -10.893 1.00 33.23 O ATOM 375 CB LYS A 26 66.282 -10.191 -12.300 1.00 44.31 C ATOM 376 CG LYS A 26 67.745 -9.759 -12.372 1.00 40.14 C ATOM 377 CD LYS A 26 67.949 -8.568 -13.304 1.00 14.02 C ATOM 378 CE LYS A 26 67.596 -7.242 -12.643 1.00 14.41 C ATOM 379 NZ LYS A 26 68.522 -6.907 -11.528 1.00 2.34 N ATOM 0 H LYS A 26 65.670 -10.335 -9.691 1.00 31.42 H new ATOM 0 HA LYS A 26 65.559 -8.233 -11.759 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.234 -11.196 -11.881 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.884 -10.249 -13.313 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.095 -9.500 -11.373 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.353 -10.596 -12.716 1.00 40.14 H new ATOM 0 HD2 LYS A 26 68.988 -8.541 -13.632 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.337 -8.700 -14.196 1.00 14.02 H new ATOM 0 HE2 LYS A 26 67.625 -6.447 -13.388 1.00 14.41 H new ATOM 0 HE3 LYS A 26 66.575 -7.287 -12.264 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 67.997 -6.903 -10.630 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.281 -7.616 -11.482 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 68.936 -5.967 -11.691 1.00 2.34 H new ATOM 393 N LEU A 27 63.487 -9.226 -12.944 1.00 10.35 N ATOM 394 CA LEU A 27 62.170 -9.580 -13.431 1.00 63.42 C ATOM 395 C LEU A 27 62.311 -10.658 -14.491 1.00 12.52 C ATOM 396 O LEU A 27 63.270 -10.654 -15.259 1.00 23.11 O ATOM 397 CB LEU A 27 61.468 -8.358 -14.031 1.00 14.35 C ATOM 398 CG LEU A 27 61.290 -7.168 -13.087 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.718 -5.976 -13.836 1.00 23.04 C ATOM 400 CD2 LEU A 27 60.386 -7.544 -11.928 1.00 64.32 C ATOM 0 H LEU A 27 64.040 -8.675 -13.600 1.00 10.35 H new ATOM 0 HA LEU A 27 61.569 -9.947 -12.599 1.00 63.42 H new ATOM 0 HB2 LEU A 27 62.035 -8.027 -14.901 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.485 -8.665 -14.389 1.00 14.35 H new ATOM 0 HG LEU A 27 62.268 -6.892 -12.692 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.598 -5.138 -13.149 1.00 23.04 H new ATOM 0 HD12 LEU A 27 61.397 -5.692 -14.640 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.748 -6.242 -14.257 1.00 23.04 H new ATOM 0 HD21 LEU A 27 60.269 -6.687 -11.265 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.410 -7.843 -12.310 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.829 -8.373 -11.375 1.00 64.32 H new ATOM 412 N PHE A 28 61.382 -11.587 -14.518 1.00 1.00 N ATOM 413 CA PHE A 28 61.369 -12.615 -15.540 1.00 50.25 C ATOM 414 C PHE A 28 59.996 -12.690 -16.178 1.00 32.34 C ATOM 415 O PHE A 28 59.017 -13.053 -15.534 1.00 14.13 O ATOM 416 CB PHE A 28 61.783 -13.966 -14.956 1.00 13.43 C ATOM 417 CG PHE A 28 63.248 -14.039 -14.624 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.717 -13.643 -13.380 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.160 -14.491 -15.564 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.066 -13.701 -13.081 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.510 -14.548 -15.272 1.00 45.12 C ATOM 422 CZ PHE A 28 65.964 -14.153 -14.028 1.00 30.44 C ATOM 0 H PHE A 28 60.621 -11.654 -13.842 1.00 1.00 H new ATOM 0 HA PHE A 28 62.094 -12.356 -16.311 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.202 -14.159 -14.054 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.538 -14.754 -15.668 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.020 -13.285 -12.636 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.812 -14.803 -16.538 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.417 -13.393 -12.107 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.209 -14.901 -16.015 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.018 -14.198 -13.797 1.00 30.44 H new ATOM 432 N ARG A 29 59.929 -12.325 -17.443 1.00 72.21 N ATOM 433 CA ARG A 29 58.656 -12.230 -18.135 1.00 15.21 C ATOM 434 C ARG A 29 58.519 -13.326 -19.180 1.00 74.30 C ATOM 435 O ARG A 29 59.391 -13.505 -20.023 1.00 12.12 O ATOM 436 CB ARG A 29 58.518 -10.849 -18.776 1.00 53.45 C ATOM 437 CG ARG A 29 57.268 -10.680 -19.621 1.00 41.44 C ATOM 438 CD ARG A 29 57.134 -9.251 -20.134 1.00 1.41 C ATOM 439 NE ARG A 29 58.348 -8.788 -20.812 1.00 42.11 N ATOM 440 CZ ARG A 29 58.754 -7.514 -20.838 1.00 34.34 C ATOM 441 NH1 ARG A 29 58.026 -6.564 -20.252 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.889 -7.188 -21.447 1.00 21.35 N ATOM 0 H ARG A 29 60.741 -12.089 -18.014 1.00 72.21 H new ATOM 0 HA ARG A 29 57.854 -12.365 -17.409 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.517 -10.094 -17.990 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.393 -10.660 -19.398 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.301 -11.370 -20.464 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.390 -10.940 -19.030 1.00 41.44 H new ATOM 0 HD2 ARG A 29 56.291 -9.192 -20.822 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.911 -8.587 -19.299 1.00 1.41 H new ATOM 0 HE ARG A 29 58.920 -9.481 -21.295 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.155 -6.807 -19.781 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.340 -5.594 -20.275 1.00 14.43 H new ATOM 0 HH21 ARG A 29 60.453 -7.910 -21.896 1.00 21.35 H new ATOM 0 HH22 ARG A 29 60.197 -6.216 -21.466 1.00 21.35 H new ATOM 456 N CYS A 30 57.428 -14.067 -19.103 1.00 53.14 N ATOM 457 CA CYS A 30 57.150 -15.114 -20.069 1.00 13.35 C ATOM 458 C CYS A 30 56.845 -14.501 -21.430 1.00 23.11 C ATOM 459 O CYS A 30 56.049 -13.570 -21.534 1.00 13.32 O ATOM 460 CB CYS A 30 55.975 -15.969 -19.600 1.00 24.13 C ATOM 461 SG CYS A 30 55.635 -17.398 -20.654 1.00 1.33 S ATOM 0 H CYS A 30 56.718 -13.962 -18.378 1.00 53.14 H new ATOM 0 HA CYS A 30 58.030 -15.751 -20.159 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.175 -16.318 -18.587 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.082 -15.346 -19.552 1.00 24.13 H new ATOM 0 HG CYS A 30 54.369 -17.429 -20.947 1.00 1.33 H new ATOM 466 N ILE A 31 57.475 -15.029 -22.466 1.00 13.20 N ATOM 467 CA ILE A 31 57.331 -14.491 -23.812 1.00 62.43 C ATOM 468 C ILE A 31 56.126 -15.097 -24.521 1.00 64.12 C ATOM 469 O ILE A 31 55.752 -14.665 -25.607 1.00 21.10 O ATOM 470 CB ILE A 31 58.596 -14.741 -24.660 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.861 -16.247 -24.812 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.797 -14.041 -24.033 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.054 -16.571 -25.686 1.00 74.30 C ATOM 0 H ILE A 31 58.096 -15.836 -22.401 1.00 13.20 H new ATOM 0 HA ILE A 31 57.183 -13.416 -23.707 1.00 62.43 H new ATOM 0 HB ILE A 31 58.434 -14.326 -25.655 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.017 -16.681 -23.824 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.975 -16.722 -25.232 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.683 -14.225 -24.640 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.608 -12.969 -23.983 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.960 -14.428 -23.027 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.178 -17.652 -25.746 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.893 -16.168 -26.686 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.951 -16.126 -25.256 1.00 74.30 H new ATOM 485 N GLN A 32 55.518 -16.098 -23.897 1.00 51.33 N ATOM 486 CA GLN A 32 54.364 -16.765 -24.485 1.00 23.44 C ATOM 487 C GLN A 32 53.067 -16.034 -24.145 1.00 13.04 C ATOM 488 O GLN A 32 52.071 -16.160 -24.858 1.00 35.13 O ATOM 489 CB GLN A 32 54.269 -18.218 -24.009 1.00 55.24 C ATOM 490 CG GLN A 32 55.434 -19.098 -24.437 1.00 33.15 C ATOM 491 CD GLN A 32 55.667 -19.086 -25.939 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.741 -18.874 -26.724 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.897 -19.345 -26.349 1.00 22.30 N ATOM 0 H GLN A 32 55.803 -16.464 -22.989 1.00 51.33 H new ATOM 0 HA GLN A 32 54.502 -16.751 -25.566 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.203 -18.227 -22.921 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.344 -18.652 -24.388 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.340 -18.763 -23.932 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.248 -20.122 -24.112 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.637 -19.515 -25.667 1.00 22.30 H new ATOM 0 HE22 GLN A 32 57.106 -19.375 -27.347 1.00 22.30 H new ATOM 502 N CYS A 33 53.077 -15.270 -23.059 1.00 2.20 N ATOM 503 CA CYS A 33 51.862 -14.601 -22.605 1.00 22.24 C ATOM 504 C CYS A 33 52.141 -13.203 -22.057 1.00 72.42 C ATOM 505 O CYS A 33 51.385 -12.266 -22.315 1.00 22.31 O ATOM 506 CB CYS A 33 51.161 -15.451 -21.545 1.00 41.11 C ATOM 507 SG CYS A 33 52.203 -15.910 -20.139 1.00 25.30 S ATOM 0 H CYS A 33 53.901 -15.099 -22.482 1.00 2.20 H new ATOM 0 HA CYS A 33 51.211 -14.485 -23.472 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.294 -14.904 -21.175 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.787 -16.360 -22.016 1.00 41.11 H new ATOM 0 HG CYS A 33 51.454 -16.330 -19.163 1.00 25.30 H new ATOM 512 N GLY A 34 53.221 -13.062 -21.305 1.00 75.22 N ATOM 513 CA GLY A 34 53.532 -11.781 -20.708 1.00 61.15 C ATOM 514 C GLY A 34 53.498 -11.832 -19.196 1.00 41.20 C ATOM 515 O GLY A 34 53.481 -10.795 -18.535 1.00 65.41 O ATOM 0 H GLY A 34 53.885 -13.808 -21.098 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.520 -11.459 -21.037 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.820 -11.035 -21.061 1.00 61.15 H new ATOM 519 N PHE A 35 53.465 -13.042 -18.648 1.00 44.34 N ATOM 520 CA PHE A 35 53.527 -13.236 -17.202 1.00 63.14 C ATOM 521 C PHE A 35 54.857 -12.725 -16.657 1.00 62.11 C ATOM 522 O PHE A 35 55.917 -13.267 -16.973 1.00 22.11 O ATOM 523 CB PHE A 35 53.342 -14.720 -16.860 1.00 51.10 C ATOM 524 CG PHE A 35 53.431 -15.031 -15.390 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.369 -14.758 -14.546 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.575 -15.605 -14.855 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.444 -15.049 -13.196 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.657 -15.897 -13.506 1.00 63.43 C ATOM 529 CZ PHE A 35 53.589 -15.619 -12.675 1.00 22.21 C ATOM 0 H PHE A 35 53.395 -13.907 -19.185 1.00 44.34 H new ATOM 0 HA PHE A 35 52.722 -12.668 -16.736 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.371 -15.048 -17.231 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.098 -15.300 -17.389 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.470 -14.312 -14.946 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.412 -15.827 -15.500 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.607 -14.830 -12.549 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.555 -16.342 -13.103 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.649 -15.847 -11.621 1.00 22.21 H new ATOM 539 N GLU A 36 54.795 -11.673 -15.855 1.00 21.30 N ATOM 540 CA GLU A 36 55.987 -11.062 -15.295 1.00 35.33 C ATOM 541 C GLU A 36 56.220 -11.512 -13.859 1.00 44.03 C ATOM 542 O GLU A 36 55.401 -11.266 -12.974 1.00 52.25 O ATOM 543 CB GLU A 36 55.866 -9.544 -15.361 1.00 30.54 C ATOM 544 CG GLU A 36 55.980 -9.003 -16.776 1.00 13.22 C ATOM 545 CD GLU A 36 55.610 -7.541 -16.885 1.00 51.45 C ATOM 546 OE1 GLU A 36 56.491 -6.684 -16.672 1.00 35.32 O ATOM 547 OE2 GLU A 36 54.443 -7.240 -17.211 1.00 54.43 O ATOM 0 H GLU A 36 53.923 -11.223 -15.577 1.00 21.30 H new ATOM 0 HA GLU A 36 56.845 -11.383 -15.885 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.908 -9.242 -14.938 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.643 -9.095 -14.742 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.002 -9.140 -17.129 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.334 -9.585 -17.434 1.00 13.22 H new ATOM 554 N TYR A 37 57.335 -12.188 -13.647 1.00 71.04 N ATOM 555 CA TYR A 37 57.732 -12.637 -12.322 1.00 2.31 C ATOM 556 C TYR A 37 58.789 -11.706 -11.736 1.00 2.10 C ATOM 557 O TYR A 37 59.762 -11.365 -12.400 1.00 33.24 O ATOM 558 CB TYR A 37 58.270 -14.074 -12.396 1.00 64.22 C ATOM 559 CG TYR A 37 58.975 -14.540 -11.136 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.258 -14.887 -9.997 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.363 -14.622 -11.086 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.904 -15.303 -8.848 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.014 -15.037 -9.941 1.00 42.11 C ATOM 564 CZ TYR A 37 60.280 -15.375 -8.826 1.00 3.33 C ATOM 565 OH TYR A 37 60.923 -15.793 -7.683 1.00 35.44 O ATOM 0 H TYR A 37 57.991 -12.441 -14.386 1.00 71.04 H new ATOM 0 HA TYR A 37 56.859 -12.618 -11.670 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.441 -14.750 -12.606 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.962 -14.148 -13.235 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.180 -14.831 -10.010 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.942 -14.356 -11.958 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.333 -15.570 -7.971 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.092 -15.096 -9.920 1.00 42.11 H new ATOM 0 HH TYR A 37 61.867 -15.532 -7.725 1.00 35.44 H new ATOM 575 N ASP A 38 58.576 -11.289 -10.501 1.00 70.50 N ATOM 576 CA ASP A 38 59.544 -10.471 -9.774 1.00 10.30 C ATOM 577 C ASP A 38 60.222 -11.327 -8.708 1.00 4.53 C ATOM 578 O ASP A 38 59.537 -11.936 -7.883 1.00 73.13 O ATOM 579 CB ASP A 38 58.823 -9.285 -9.116 1.00 64.12 C ATOM 580 CG ASP A 38 59.761 -8.263 -8.491 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.621 -8.651 -7.682 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.616 -7.058 -8.802 1.00 51.42 O ATOM 0 H ASP A 38 57.732 -11.504 -9.971 1.00 70.50 H new ATOM 0 HA ASP A 38 60.297 -10.089 -10.463 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.206 -8.787 -9.864 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.149 -9.663 -8.347 1.00 64.12 H new ATOM 587 N GLU A 39 61.554 -11.390 -8.721 1.00 21.24 N ATOM 588 CA GLU A 39 62.277 -12.223 -7.753 1.00 73.35 C ATOM 589 C GLU A 39 62.062 -11.746 -6.310 1.00 61.05 C ATOM 590 O GLU A 39 62.149 -12.534 -5.367 1.00 14.23 O ATOM 591 CB GLU A 39 63.775 -12.262 -8.056 1.00 3.15 C ATOM 592 CG GLU A 39 64.139 -12.981 -9.342 1.00 2.32 C ATOM 593 CD GLU A 39 65.640 -13.097 -9.515 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.314 -12.044 -9.557 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.152 -14.234 -9.592 1.00 61.24 O ATOM 0 H GLU A 39 62.148 -10.884 -9.378 1.00 21.24 H new ATOM 0 HA GLU A 39 61.868 -13.229 -7.850 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.149 -11.239 -8.108 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.288 -12.747 -7.226 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.695 -13.977 -9.340 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.715 -12.445 -10.191 1.00 2.32 H new ATOM 602 N ALA A 40 61.770 -10.462 -6.139 1.00 41.21 N ATOM 603 CA ALA A 40 61.572 -9.892 -4.814 1.00 41.44 C ATOM 604 C ALA A 40 60.134 -10.080 -4.356 1.00 73.14 C ATOM 605 O ALA A 40 59.825 -9.968 -3.168 1.00 63.31 O ATOM 606 CB ALA A 40 61.944 -8.415 -4.806 1.00 64.54 C ATOM 0 H ALA A 40 61.665 -9.795 -6.904 1.00 41.21 H new ATOM 0 HA ALA A 40 62.225 -10.417 -4.117 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.789 -8.006 -3.807 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.991 -8.302 -5.086 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.318 -7.878 -5.519 1.00 64.54 H new ATOM 612 N LEU A 41 59.258 -10.367 -5.306 1.00 35.01 N ATOM 613 CA LEU A 41 57.853 -10.603 -5.008 1.00 43.03 C ATOM 614 C LEU A 41 57.600 -12.087 -4.757 1.00 41.24 C ATOM 615 O LEU A 41 56.886 -12.458 -3.821 1.00 5.12 O ATOM 616 CB LEU A 41 56.983 -10.111 -6.165 1.00 54.42 C ATOM 617 CG LEU A 41 55.476 -10.307 -5.984 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.956 -9.469 -4.826 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.739 -9.965 -7.268 1.00 50.10 C ATOM 0 H LEU A 41 59.496 -10.443 -6.295 1.00 35.01 H new ATOM 0 HA LEU A 41 57.592 -10.050 -4.106 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.178 -9.050 -6.318 1.00 54.42 H new ATOM 0 HB3 LEU A 41 57.292 -10.626 -7.074 1.00 54.42 H new ATOM 0 HG LEU A 41 55.293 -11.356 -5.750 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.883 -9.625 -4.717 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.461 -9.766 -3.907 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.151 -8.415 -5.023 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.668 -10.110 -7.123 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.932 -8.925 -7.532 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.087 -10.614 -8.071 1.00 50.10 H new ATOM 631 N GLY A 42 58.198 -12.925 -5.596 1.00 60.35 N ATOM 632 CA GLY A 42 58.019 -14.356 -5.477 1.00 65.42 C ATOM 633 C GLY A 42 56.691 -14.814 -6.048 1.00 1.31 C ATOM 634 O GLY A 42 56.002 -14.048 -6.726 1.00 22.32 O ATOM 0 H GLY A 42 58.807 -12.634 -6.361 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.831 -14.867 -5.994 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.080 -14.643 -4.427 1.00 65.42 H new ATOM 638 N TRP A 43 56.334 -16.060 -5.779 1.00 34.01 N ATOM 639 CA TRP A 43 55.060 -16.606 -6.215 1.00 72.13 C ATOM 640 C TRP A 43 54.573 -17.624 -5.191 1.00 1.53 C ATOM 641 O TRP A 43 54.806 -18.830 -5.323 1.00 0.54 O ATOM 642 CB TRP A 43 55.172 -17.243 -7.604 1.00 22.21 C ATOM 643 CG TRP A 43 53.839 -17.533 -8.224 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.283 -18.758 -8.451 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.885 -16.568 -8.687 1.00 75.12 C ATOM 646 NE1 TRP A 43 52.045 -18.615 -9.029 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.778 -17.279 -9.184 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.863 -15.173 -8.730 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.660 -16.642 -9.716 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.754 -14.540 -9.256 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.665 -15.274 -9.744 1.00 72.01 C ATOM 0 H TRP A 43 56.914 -16.716 -5.257 1.00 34.01 H new ATOM 0 HA TRP A 43 54.337 -15.794 -6.290 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.734 -16.577 -8.259 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.741 -18.170 -7.528 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.748 -19.703 -8.211 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.425 -19.379 -9.299 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.699 -14.599 -8.358 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.820 -17.207 -10.093 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.726 -13.461 -9.292 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.813 -14.750 -10.150 1.00 72.01 H new ATOM 662 N PRO A 44 53.889 -17.138 -4.147 1.00 45.41 N ATOM 663 CA PRO A 44 53.498 -17.955 -2.999 1.00 41.22 C ATOM 664 C PRO A 44 52.440 -18.987 -3.355 1.00 43.31 C ATOM 665 O PRO A 44 52.228 -19.952 -2.623 1.00 52.04 O ATOM 666 CB PRO A 44 52.933 -16.950 -1.991 1.00 1.41 C ATOM 667 CG PRO A 44 53.218 -15.591 -2.541 1.00 43.31 C ATOM 668 CD PRO A 44 53.432 -15.749 -4.016 1.00 12.02 C ATOM 0 HA PRO A 44 54.345 -18.524 -2.616 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.861 -17.097 -1.856 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.398 -17.078 -1.013 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.388 -14.913 -2.343 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.101 -15.161 -2.068 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.514 -15.574 -4.576 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.174 -15.045 -4.392 1.00 12.02 H new ATOM 676 N GLU A 45 51.781 -18.772 -4.484 1.00 52.10 N ATOM 677 CA GLU A 45 50.772 -19.700 -4.972 1.00 33.11 C ATOM 678 C GLU A 45 51.404 -21.049 -5.318 1.00 32.45 C ATOM 679 O GLU A 45 50.786 -22.098 -5.142 1.00 53.21 O ATOM 680 CB GLU A 45 50.069 -19.116 -6.199 1.00 63.41 C ATOM 681 CG GLU A 45 49.519 -17.714 -5.983 1.00 44.43 C ATOM 682 CD GLU A 45 48.583 -17.630 -4.797 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.396 -17.992 -4.943 1.00 63.33 O ATOM 684 OE2 GLU A 45 49.027 -17.200 -3.717 1.00 61.31 O ATOM 0 H GLU A 45 51.928 -17.959 -5.082 1.00 52.10 H new ATOM 0 HA GLU A 45 50.036 -19.856 -4.184 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.771 -19.096 -7.033 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.251 -19.777 -6.486 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.348 -17.022 -5.836 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.991 -17.393 -6.881 1.00 44.43 H new ATOM 691 N ASP A 46 52.640 -21.012 -5.807 1.00 54.25 N ATOM 692 CA ASP A 46 53.365 -22.235 -6.157 1.00 30.40 C ATOM 693 C ASP A 46 54.276 -22.659 -5.012 1.00 61.32 C ATOM 694 O ASP A 46 54.627 -23.831 -4.878 1.00 73.23 O ATOM 695 CB ASP A 46 54.198 -22.016 -7.427 1.00 23.20 C ATOM 696 CG ASP A 46 55.057 -23.216 -7.794 1.00 70.52 C ATOM 697 OD1 ASP A 46 56.196 -23.316 -7.293 1.00 44.11 O ATOM 698 OD2 ASP A 46 54.605 -24.052 -8.600 1.00 44.22 O ATOM 0 H ASP A 46 53.162 -20.151 -5.971 1.00 54.25 H new ATOM 0 HA ASP A 46 52.636 -23.025 -6.341 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.530 -21.788 -8.257 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.840 -21.147 -7.287 1.00 23.20 H new ATOM 703 N GLY A 47 54.623 -21.702 -4.168 1.00 73.12 N ATOM 704 CA GLY A 47 55.528 -21.977 -3.072 1.00 12.11 C ATOM 705 C GLY A 47 56.822 -21.202 -3.199 1.00 64.11 C ATOM 706 O GLY A 47 57.691 -21.281 -2.333 1.00 22.42 O ATOM 0 H GLY A 47 54.294 -20.738 -4.222 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.044 -21.723 -2.129 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.746 -23.045 -3.041 1.00 12.11 H new ATOM 710 N ILE A 48 56.946 -20.446 -4.280 1.00 0.01 N ATOM 711 CA ILE A 48 58.126 -19.630 -4.507 1.00 25.24 C ATOM 712 C ILE A 48 58.113 -18.438 -3.556 1.00 62.01 C ATOM 713 O ILE A 48 57.239 -17.578 -3.641 1.00 62.43 O ATOM 714 CB ILE A 48 58.190 -19.129 -5.967 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.099 -20.306 -6.951 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.464 -18.329 -6.204 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.215 -21.322 -6.802 1.00 43.03 C ATOM 0 H ILE A 48 56.241 -20.382 -5.014 1.00 0.01 H new ATOM 0 HA ILE A 48 59.007 -20.245 -4.320 1.00 25.24 H new ATOM 0 HB ILE A 48 57.336 -18.474 -6.140 1.00 14.52 H new ATOM 0 HG12 ILE A 48 57.142 -20.809 -6.812 1.00 71.30 H new ATOM 0 HG13 ILE A 48 58.109 -19.917 -7.969 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.491 -17.985 -7.238 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.483 -17.469 -5.535 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.331 -18.960 -6.009 1.00 22.34 H new ATOM 0 HD11 ILE A 48 59.080 -22.121 -7.531 1.00 43.03 H new ATOM 0 HD12 ILE A 48 60.175 -20.835 -6.971 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.193 -21.742 -5.796 1.00 43.03 H new ATOM 729 N ALA A 49 59.070 -18.399 -2.646 1.00 31.20 N ATOM 730 CA ALA A 49 59.099 -17.370 -1.621 1.00 5.11 C ATOM 731 C ALA A 49 59.697 -16.073 -2.151 1.00 32.55 C ATOM 732 O ALA A 49 60.532 -16.080 -3.058 1.00 44.13 O ATOM 733 CB ALA A 49 59.877 -17.857 -0.407 1.00 50.42 C ATOM 0 H ALA A 49 59.838 -19.068 -2.596 1.00 31.20 H new ATOM 0 HA ALA A 49 58.071 -17.164 -1.323 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.891 -17.076 0.353 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.399 -18.749 -0.002 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.899 -18.095 -0.701 1.00 50.42 H new ATOM 739 N ALA A 50 59.260 -14.961 -1.582 1.00 43.33 N ATOM 740 CA ALA A 50 59.805 -13.661 -1.932 1.00 31.42 C ATOM 741 C ALA A 50 61.294 -13.629 -1.624 1.00 65.35 C ATOM 742 O ALA A 50 61.705 -13.817 -0.478 1.00 33.24 O ATOM 743 CB ALA A 50 59.075 -12.562 -1.177 1.00 12.13 C ATOM 0 H ALA A 50 58.527 -14.934 -0.873 1.00 43.33 H new ATOM 0 HA ALA A 50 59.665 -13.490 -2.999 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.494 -11.593 -1.449 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.016 -12.585 -1.435 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.190 -12.719 -0.105 1.00 12.13 H new ATOM 749 N GLY A 51 62.100 -13.414 -2.651 1.00 23.11 N ATOM 750 CA GLY A 51 63.536 -13.425 -2.480 1.00 51.21 C ATOM 751 C GLY A 51 64.177 -14.652 -3.094 1.00 12.22 C ATOM 752 O GLY A 51 65.402 -14.787 -3.084 1.00 44.15 O ATOM 0 H GLY A 51 61.784 -13.231 -3.603 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.961 -12.530 -2.934 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.774 -13.387 -1.417 1.00 51.21 H new ATOM 756 N THR A 52 63.352 -15.556 -3.616 1.00 34.23 N ATOM 757 CA THR A 52 63.849 -16.723 -4.330 1.00 72.11 C ATOM 758 C THR A 52 64.392 -16.322 -5.700 1.00 32.45 C ATOM 759 O THR A 52 63.694 -15.691 -6.494 1.00 11.25 O ATOM 760 CB THR A 52 62.742 -17.786 -4.504 1.00 4.53 C ATOM 761 OG1 THR A 52 62.308 -18.254 -3.218 1.00 61.21 O ATOM 762 CG2 THR A 52 63.228 -18.967 -5.336 1.00 63.31 C ATOM 0 H THR A 52 62.335 -15.500 -3.556 1.00 34.23 H new ATOM 0 HA THR A 52 64.654 -17.154 -3.735 1.00 72.11 H new ATOM 0 HB THR A 52 61.910 -17.318 -5.029 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.613 -17.657 -2.870 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.424 -19.696 -5.438 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.528 -18.617 -6.324 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.080 -19.434 -4.842 1.00 63.31 H new ATOM 770 N ARG A 53 65.641 -16.683 -5.962 1.00 11.11 N ATOM 771 CA ARG A 53 66.272 -16.377 -7.236 1.00 1.42 C ATOM 772 C ARG A 53 65.864 -17.394 -8.294 1.00 24.11 C ATOM 773 O ARG A 53 65.479 -18.518 -7.970 1.00 33.21 O ATOM 774 CB ARG A 53 67.795 -16.368 -7.090 1.00 42.33 C ATOM 775 CG ARG A 53 68.330 -15.210 -6.267 1.00 70.11 C ATOM 776 CD ARG A 53 68.044 -13.877 -6.937 1.00 62.02 C ATOM 777 NE ARG A 53 68.716 -12.770 -6.260 1.00 73.44 N ATOM 778 CZ ARG A 53 68.831 -11.544 -6.767 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.278 -11.235 -7.935 1.00 5.03 N ATOM 780 NH2 ARG A 53 69.492 -10.615 -6.098 1.00 20.33 N ATOM 0 H ARG A 53 66.237 -17.189 -5.307 1.00 11.11 H new ATOM 0 HA ARG A 53 65.939 -15.388 -7.550 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.111 -17.304 -6.630 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.245 -16.333 -8.082 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.877 -15.226 -5.276 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.405 -15.326 -6.128 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.368 -13.917 -7.977 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.969 -13.698 -6.945 1.00 62.02 H new ATOM 0 HE ARG A 53 69.122 -12.947 -5.341 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.757 -11.941 -8.455 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.374 -10.292 -8.311 1.00 5.03 H new ATOM 0 HH21 ARG A 53 69.912 -10.838 -5.196 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.582 -9.675 -6.484 1.00 20.33 H new ATOM 794 N TRP A 54 65.963 -16.991 -9.553 1.00 75.02 N ATOM 795 CA TRP A 54 65.636 -17.857 -10.686 1.00 4.51 C ATOM 796 C TRP A 54 66.461 -19.148 -10.663 1.00 51.50 C ATOM 797 O TRP A 54 66.027 -20.187 -11.174 1.00 53.22 O ATOM 798 CB TRP A 54 65.887 -17.099 -11.990 1.00 14.02 C ATOM 799 CG TRP A 54 65.284 -17.751 -13.195 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.938 -18.439 -14.176 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.897 -17.770 -13.544 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.039 -18.884 -15.113 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.780 -18.487 -14.746 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.745 -17.251 -12.952 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.555 -18.695 -15.368 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.528 -17.459 -13.570 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.442 -18.176 -14.767 1.00 44.10 C ATOM 0 H TRP A 54 66.271 -16.057 -9.822 1.00 75.02 H new ATOM 0 HA TRP A 54 64.585 -18.135 -10.614 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.486 -16.090 -11.896 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.962 -17.001 -12.141 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.004 -18.608 -14.210 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.271 -19.423 -15.947 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.804 -16.697 -12.027 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.485 -19.247 -16.294 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.629 -17.062 -13.122 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.476 -18.323 -15.227 1.00 44.10 H new ATOM 818 N ASP A 55 67.648 -19.070 -10.067 1.00 34.41 N ATOM 819 CA ASP A 55 68.541 -20.221 -9.937 1.00 13.53 C ATOM 820 C ASP A 55 68.011 -21.222 -8.919 1.00 43.20 C ATOM 821 O ASP A 55 68.244 -22.425 -9.043 1.00 13.14 O ATOM 822 CB ASP A 55 69.939 -19.769 -9.511 1.00 34.21 C ATOM 823 CG ASP A 55 70.759 -19.212 -10.654 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.288 -18.293 -11.348 1.00 31.21 O ATOM 825 OD2 ASP A 55 71.893 -19.700 -10.862 1.00 31.22 O ATOM 0 H ASP A 55 68.018 -18.211 -9.661 1.00 34.41 H new ATOM 0 HA ASP A 55 68.592 -20.704 -10.913 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.847 -19.010 -8.734 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.468 -20.614 -9.070 1.00 34.21 H new ATOM 830 N ASP A 56 67.308 -20.719 -7.911 1.00 74.00 N ATOM 831 CA ASP A 56 66.772 -21.563 -6.847 1.00 13.50 C ATOM 832 C ASP A 56 65.452 -22.183 -7.287 1.00 35.01 C ATOM 833 O ASP A 56 65.025 -23.214 -6.769 1.00 73.34 O ATOM 834 CB ASP A 56 66.591 -20.735 -5.567 1.00 10.43 C ATOM 835 CG ASP A 56 66.122 -21.558 -4.380 1.00 24.32 C ATOM 836 OD1 ASP A 56 66.779 -22.565 -4.046 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.105 -21.188 -3.757 1.00 45.42 O ATOM 0 H ASP A 56 67.095 -19.727 -7.807 1.00 74.00 H new ATOM 0 HA ASP A 56 67.474 -22.370 -6.638 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.537 -20.255 -5.316 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.870 -19.939 -5.756 1.00 10.43 H new ATOM 842 N ILE A 57 64.823 -21.550 -8.268 1.00 54.25 N ATOM 843 CA ILE A 57 63.583 -22.049 -8.843 1.00 24.31 C ATOM 844 C ILE A 57 63.850 -23.306 -9.676 1.00 43.24 C ATOM 845 O ILE A 57 64.672 -23.284 -10.594 1.00 14.33 O ATOM 846 CB ILE A 57 62.909 -20.973 -9.722 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.540 -19.755 -8.872 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.674 -21.535 -10.410 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.923 -18.628 -9.670 1.00 14.05 C ATOM 0 H ILE A 57 65.156 -20.681 -8.685 1.00 54.25 H new ATOM 0 HA ILE A 57 62.909 -22.299 -8.023 1.00 24.31 H new ATOM 0 HB ILE A 57 63.615 -20.663 -10.492 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.842 -20.063 -8.093 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.435 -19.387 -8.370 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.215 -20.760 -11.024 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.960 -22.376 -11.041 1.00 13.22 H new ATOM 0 HG23 ILE A 57 60.960 -21.872 -9.658 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.686 -17.798 -9.004 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.627 -18.293 -10.431 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.010 -18.980 -10.150 1.00 14.05 H new ATOM 861 N PRO A 58 63.157 -24.414 -9.353 1.00 63.44 N ATOM 862 CA PRO A 58 63.347 -25.713 -10.016 1.00 3.44 C ATOM 863 C PRO A 58 63.273 -25.630 -11.541 1.00 51.00 C ATOM 864 O PRO A 58 62.454 -24.902 -12.101 1.00 45.01 O ATOM 865 CB PRO A 58 62.188 -26.555 -9.481 1.00 24.00 C ATOM 866 CG PRO A 58 61.867 -25.956 -8.158 1.00 73.11 C ATOM 867 CD PRO A 58 62.128 -24.483 -8.299 1.00 50.42 C ATOM 0 HA PRO A 58 64.336 -26.122 -9.808 1.00 3.44 H new ATOM 0 HB2 PRO A 58 61.329 -26.518 -10.151 1.00 24.00 H new ATOM 0 HB3 PRO A 58 62.472 -27.603 -9.383 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.829 -26.144 -7.885 1.00 73.11 H new ATOM 0 HG3 PRO A 58 62.486 -26.389 -7.372 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.226 -23.941 -8.583 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.481 -24.047 -7.365 1.00 50.42 H new ATOM 875 N ASP A 59 64.122 -26.398 -12.205 1.00 25.01 N ATOM 876 CA ASP A 59 64.162 -26.429 -13.666 1.00 41.44 C ATOM 877 C ASP A 59 62.856 -26.980 -14.229 1.00 34.41 C ATOM 878 O ASP A 59 62.450 -26.641 -15.341 1.00 72.22 O ATOM 879 CB ASP A 59 65.342 -27.282 -14.141 1.00 1.55 C ATOM 880 CG ASP A 59 65.355 -27.483 -15.643 1.00 42.44 C ATOM 881 OD1 ASP A 59 65.571 -26.498 -16.381 1.00 11.32 O ATOM 882 OD2 ASP A 59 65.170 -28.634 -16.094 1.00 4.21 O ATOM 0 H ASP A 59 64.799 -27.014 -11.755 1.00 25.01 H new ATOM 0 HA ASP A 59 64.291 -25.410 -14.030 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.274 -26.807 -13.835 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.303 -28.254 -13.649 1.00 1.55 H new ATOM 887 N ASP A 60 62.191 -27.810 -13.439 1.00 32.43 N ATOM 888 CA ASP A 60 60.921 -28.408 -13.842 1.00 54.13 C ATOM 889 C ASP A 60 59.754 -27.462 -13.575 1.00 24.24 C ATOM 890 O ASP A 60 58.596 -27.805 -13.821 1.00 12.35 O ATOM 891 CB ASP A 60 60.691 -29.730 -13.105 1.00 23.23 C ATOM 892 CG ASP A 60 61.642 -30.823 -13.548 1.00 23.22 C ATOM 893 OD1 ASP A 60 62.809 -30.820 -13.103 1.00 70.35 O ATOM 894 OD2 ASP A 60 61.226 -31.691 -14.344 1.00 42.45 O ATOM 0 H ASP A 60 62.509 -28.087 -12.510 1.00 32.43 H new ATOM 0 HA ASP A 60 60.973 -28.599 -14.914 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.805 -29.568 -12.033 1.00 23.23 H new ATOM 0 HB3 ASP A 60 59.665 -30.059 -13.270 1.00 23.23 H new ATOM 899 N TRP A 61 60.056 -26.271 -13.066 1.00 5.24 N ATOM 900 CA TRP A 61 59.023 -25.285 -12.787 1.00 42.43 C ATOM 901 C TRP A 61 58.534 -24.656 -14.086 1.00 33.21 C ATOM 902 O TRP A 61 59.331 -24.295 -14.953 1.00 22.24 O ATOM 903 CB TRP A 61 59.562 -24.209 -11.842 1.00 54.42 C ATOM 904 CG TRP A 61 58.546 -23.186 -11.431 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.575 -23.335 -10.486 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.409 -21.854 -11.943 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.840 -22.180 -10.378 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.333 -21.255 -11.261 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.092 -21.109 -12.911 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.927 -19.947 -11.516 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.687 -19.813 -13.163 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.613 -19.242 -12.468 1.00 25.01 C ATOM 0 H TRP A 61 61.004 -25.969 -12.840 1.00 5.24 H new ATOM 0 HA TRP A 61 58.182 -25.782 -12.303 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.957 -24.692 -10.948 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.397 -23.702 -12.326 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.408 -24.231 -9.907 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.055 -22.034 -9.744 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.922 -21.540 -13.452 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.100 -19.504 -10.981 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.207 -19.230 -13.909 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.321 -18.226 -12.688 1.00 25.01 H new ATOM 923 N SER A 62 57.225 -24.532 -14.211 1.00 54.20 N ATOM 924 CA SER A 62 56.622 -23.957 -15.398 1.00 3.30 C ATOM 925 C SER A 62 55.850 -22.696 -15.039 1.00 13.23 C ATOM 926 O SER A 62 55.471 -22.502 -13.884 1.00 63.43 O ATOM 927 CB SER A 62 55.690 -24.979 -16.066 1.00 63.43 C ATOM 928 OG SER A 62 54.951 -25.710 -15.097 1.00 64.32 O ATOM 0 H SER A 62 56.556 -24.824 -13.499 1.00 54.20 H new ATOM 0 HA SER A 62 57.413 -23.693 -16.100 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.004 -24.464 -16.738 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.277 -25.667 -16.675 1.00 63.43 H new ATOM 0 HG SER A 62 54.365 -26.352 -15.549 1.00 64.32 H new ATOM 934 N CYS A 63 55.646 -21.834 -16.025 1.00 24.15 N ATOM 935 CA CYS A 63 54.828 -20.646 -15.849 1.00 63.43 C ATOM 936 C CYS A 63 53.439 -21.048 -15.368 1.00 24.51 C ATOM 937 O CYS A 63 52.698 -21.696 -16.098 1.00 44.14 O ATOM 938 CB CYS A 63 54.728 -19.889 -17.176 1.00 63.12 C ATOM 939 SG CYS A 63 53.657 -18.434 -17.134 1.00 13.20 S ATOM 0 H CYS A 63 56.039 -21.938 -16.960 1.00 24.15 H new ATOM 0 HA CYS A 63 55.287 -19.996 -15.104 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.728 -19.579 -17.478 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.361 -20.572 -17.942 1.00 63.12 H new ATOM 0 HG CYS A 63 52.877 -18.439 -18.174 1.00 13.20 H new ATOM 944 N PRO A 64 53.065 -20.673 -14.136 1.00 12.23 N ATOM 945 CA PRO A 64 51.771 -21.047 -13.550 1.00 52.51 C ATOM 946 C PRO A 64 50.588 -20.523 -14.360 1.00 52.22 C ATOM 947 O PRO A 64 49.453 -20.960 -14.184 1.00 21.33 O ATOM 948 CB PRO A 64 51.799 -20.398 -12.161 1.00 2.43 C ATOM 949 CG PRO A 64 53.239 -20.145 -11.880 1.00 63.34 C ATOM 950 CD PRO A 64 53.877 -19.870 -13.208 1.00 75.23 C ATOM 0 HA PRO A 64 51.639 -22.129 -13.525 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.226 -19.471 -12.147 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.360 -21.055 -11.410 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.362 -19.298 -11.205 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.700 -21.007 -11.397 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.847 -18.810 -13.459 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.924 -20.171 -13.223 1.00 75.23 H new ATOM 958 N ASP A 65 50.871 -19.598 -15.267 1.00 62.43 N ATOM 959 CA ASP A 65 49.840 -18.975 -16.082 1.00 4.14 C ATOM 960 C ASP A 65 49.473 -19.837 -17.291 1.00 73.14 C ATOM 961 O ASP A 65 48.304 -19.922 -17.662 1.00 75.43 O ATOM 962 CB ASP A 65 50.307 -17.591 -16.539 1.00 75.11 C ATOM 963 CG ASP A 65 49.344 -16.934 -17.508 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.176 -16.703 -17.134 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.751 -16.646 -18.651 1.00 62.34 O ATOM 0 H ASP A 65 51.815 -19.261 -15.457 1.00 62.43 H new ATOM 0 HA ASP A 65 48.944 -18.874 -15.470 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.432 -16.949 -15.667 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.285 -17.681 -17.011 1.00 75.11 H new ATOM 970 N CYS A 66 50.460 -20.491 -17.897 1.00 24.23 N ATOM 971 CA CYS A 66 50.207 -21.235 -19.135 1.00 44.35 C ATOM 972 C CYS A 66 50.978 -22.559 -19.222 1.00 61.50 C ATOM 973 O CYS A 66 50.710 -23.381 -20.099 1.00 33.10 O ATOM 974 CB CYS A 66 50.555 -20.355 -20.332 1.00 11.53 C ATOM 975 SG CYS A 66 52.198 -19.603 -20.238 1.00 2.42 S ATOM 0 H CYS A 66 51.423 -20.524 -17.563 1.00 24.23 H new ATOM 0 HA CYS A 66 49.148 -21.494 -19.139 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.492 -20.954 -21.241 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.809 -19.565 -20.418 1.00 11.53 H new ATOM 0 HG CYS A 66 52.082 -18.308 -20.210 1.00 2.42 H new ATOM 980 N GLY A 67 51.927 -22.772 -18.321 1.00 11.35 N ATOM 981 CA GLY A 67 52.726 -23.986 -18.347 1.00 2.21 C ATOM 982 C GLY A 67 53.935 -23.876 -19.253 1.00 45.15 C ATOM 983 O GLY A 67 54.540 -24.882 -19.611 1.00 12.15 O ATOM 0 H GLY A 67 52.160 -22.124 -17.569 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.057 -24.219 -17.335 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.104 -24.817 -18.679 1.00 2.21 H new ATOM 987 N ALA A 68 54.285 -22.653 -19.631 1.00 3.21 N ATOM 988 CA ALA A 68 55.482 -22.420 -20.430 1.00 51.33 C ATOM 989 C ALA A 68 56.732 -22.708 -19.607 1.00 24.02 C ATOM 990 O ALA A 68 56.698 -22.639 -18.376 1.00 24.41 O ATOM 991 CB ALA A 68 55.500 -20.993 -20.950 1.00 22.41 C ATOM 0 H ALA A 68 53.760 -21.810 -19.399 1.00 3.21 H new ATOM 0 HA ALA A 68 55.469 -23.097 -21.284 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.399 -20.834 -21.545 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.620 -20.820 -21.570 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.493 -20.299 -20.109 1.00 22.41 H new ATOM 997 N ALA A 69 57.830 -23.017 -20.279 1.00 63.43 N ATOM 998 CA ALA A 69 59.053 -23.419 -19.597 1.00 14.25 C ATOM 999 C ALA A 69 59.858 -22.205 -19.149 1.00 45.14 C ATOM 1000 O ALA A 69 59.527 -21.070 -19.490 1.00 64.45 O ATOM 1001 CB ALA A 69 59.889 -24.312 -20.502 1.00 43.25 C ATOM 0 H ALA A 69 57.901 -22.997 -21.296 1.00 63.43 H new ATOM 0 HA ALA A 69 58.777 -23.982 -18.705 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.800 -24.606 -19.982 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.317 -25.202 -20.764 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.149 -23.768 -21.410 1.00 43.25 H new ATOM 1007 N LYS A 70 60.914 -22.447 -18.382 1.00 44.04 N ATOM 1008 CA LYS A 70 61.773 -21.370 -17.905 1.00 2.40 C ATOM 1009 C LYS A 70 62.449 -20.664 -19.080 1.00 33.52 C ATOM 1010 O LYS A 70 62.672 -19.454 -19.047 1.00 53.10 O ATOM 1011 CB LYS A 70 62.823 -21.906 -16.921 1.00 2.20 C ATOM 1012 CG LYS A 70 62.222 -22.558 -15.678 1.00 4.42 C ATOM 1013 CD LYS A 70 63.293 -23.023 -14.698 1.00 65.43 C ATOM 1014 CE LYS A 70 64.002 -21.851 -14.042 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.073 -22.290 -13.107 1.00 61.24 N ATOM 0 H LYS A 70 61.196 -23.379 -18.077 1.00 44.04 H new ATOM 0 HA LYS A 70 61.152 -20.646 -17.378 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.451 -22.634 -17.435 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.472 -21.086 -16.613 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.561 -21.848 -15.181 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.610 -23.409 -15.976 1.00 4.42 H new ATOM 0 HD2 LYS A 70 62.837 -23.648 -13.930 1.00 65.43 H new ATOM 0 HD3 LYS A 70 64.021 -23.642 -15.222 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.435 -21.213 -14.813 1.00 20.30 H new ATOM 0 HE3 LYS A 70 63.275 -21.247 -13.500 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 65.573 -21.457 -12.736 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 64.650 -22.820 -12.318 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.746 -22.901 -13.612 1.00 61.24 H new ATOM 1029 N SER A 71 62.735 -21.420 -20.139 1.00 24.44 N ATOM 1030 CA SER A 71 63.346 -20.857 -21.340 1.00 74.02 C ATOM 1031 C SER A 71 62.355 -19.973 -22.101 1.00 74.23 C ATOM 1032 O SER A 71 62.715 -19.316 -23.078 1.00 30.43 O ATOM 1033 CB SER A 71 63.869 -21.979 -22.240 1.00 35.23 C ATOM 1034 OG SER A 71 62.874 -22.970 -22.452 1.00 35.24 O ATOM 0 H SER A 71 62.553 -22.422 -20.189 1.00 24.44 H new ATOM 0 HA SER A 71 64.184 -20.231 -21.036 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.184 -21.564 -23.198 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.749 -22.434 -21.785 1.00 35.23 H new ATOM 0 HG SER A 71 63.232 -23.675 -23.031 1.00 35.24 H new ATOM 1040 N ASP A 72 61.107 -19.960 -21.647 1.00 22.41 N ATOM 1041 CA ASP A 72 60.099 -19.081 -22.215 1.00 53.55 C ATOM 1042 C ASP A 72 60.054 -17.769 -21.450 1.00 72.53 C ATOM 1043 O ASP A 72 59.183 -16.935 -21.686 1.00 51.33 O ATOM 1044 CB ASP A 72 58.713 -19.731 -22.185 1.00 31.01 C ATOM 1045 CG ASP A 72 58.531 -20.804 -23.237 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.471 -20.460 -24.434 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.426 -21.998 -22.871 1.00 20.11 O ATOM 0 H ASP A 72 60.771 -20.550 -20.886 1.00 22.41 H new ATOM 0 HA ASP A 72 60.373 -18.893 -23.253 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.545 -20.166 -21.200 1.00 31.01 H new ATOM 0 HB3 ASP A 72 57.955 -18.961 -22.327 1.00 31.01 H new ATOM 1052 N PHE A 73 60.976 -17.597 -20.513 1.00 54.42 N ATOM 1053 CA PHE A 73 61.052 -16.364 -19.747 1.00 32.03 C ATOM 1054 C PHE A 73 62.226 -15.506 -20.200 1.00 41.43 C ATOM 1055 O PHE A 73 63.258 -16.018 -20.637 1.00 33.41 O ATOM 1056 CB PHE A 73 61.172 -16.657 -18.250 1.00 12.00 C ATOM 1057 CG PHE A 73 59.890 -17.109 -17.614 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.477 -18.429 -17.705 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.103 -16.209 -16.918 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.299 -18.840 -17.113 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.926 -16.614 -16.322 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.523 -17.931 -16.420 1.00 32.20 C ATOM 0 H PHE A 73 61.679 -18.294 -20.267 1.00 54.42 H new ATOM 0 HA PHE A 73 60.129 -15.812 -19.925 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.931 -17.425 -18.100 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.522 -15.759 -17.741 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.082 -19.143 -18.244 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.413 -15.177 -16.840 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.985 -19.870 -17.192 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.321 -15.902 -15.780 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.602 -18.250 -15.955 1.00 32.20 H new ATOM 1072 N GLU A 74 62.050 -14.200 -20.099 1.00 11.30 N ATOM 1073 CA GLU A 74 63.099 -13.245 -20.421 1.00 71.52 C ATOM 1074 C GLU A 74 63.547 -12.531 -19.153 1.00 63.42 C ATOM 1075 O GLU A 74 62.737 -12.286 -18.255 1.00 24.10 O ATOM 1076 CB GLU A 74 62.590 -12.222 -21.441 1.00 55.11 C ATOM 1077 CG GLU A 74 61.400 -11.419 -20.941 1.00 15.31 C ATOM 1078 CD GLU A 74 60.936 -10.363 -21.915 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.548 -9.282 -21.958 1.00 33.13 O ATOM 1080 OE2 GLU A 74 59.936 -10.597 -22.619 1.00 22.12 O ATOM 0 H GLU A 74 61.177 -13.771 -19.792 1.00 11.30 H new ATOM 0 HA GLU A 74 63.945 -13.780 -20.853 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.400 -11.539 -21.696 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.311 -12.741 -22.358 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.574 -12.099 -20.733 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.664 -10.941 -19.998 1.00 15.31 H new ATOM 1087 N MET A 75 64.826 -12.199 -19.080 1.00 1.12 N ATOM 1088 CA MET A 75 65.360 -11.502 -17.922 1.00 0.12 C ATOM 1089 C MET A 75 65.200 -10.000 -18.101 1.00 41.40 C ATOM 1090 O MET A 75 65.858 -9.386 -18.942 1.00 64.03 O ATOM 1091 CB MET A 75 66.834 -11.853 -17.692 1.00 65.23 C ATOM 1092 CG MET A 75 67.415 -11.219 -16.434 1.00 22.24 C ATOM 1093 SD MET A 75 69.176 -11.550 -16.214 1.00 62.41 S ATOM 1094 CE MET A 75 69.183 -13.340 -16.108 1.00 41.21 C ATOM 0 H MET A 75 65.512 -12.401 -19.807 1.00 1.12 H new ATOM 0 HA MET A 75 64.798 -11.822 -17.044 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.936 -12.936 -17.625 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.416 -11.530 -18.555 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.257 -10.141 -16.473 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.872 -11.590 -15.565 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.892 -13.656 -15.343 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.185 -13.693 -15.847 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.476 -13.760 -17.070 1.00 41.21 H new ATOM 1104 N VAL A 76 64.309 -9.419 -17.324 1.00 52.24 N ATOM 1105 CA VAL A 76 64.029 -8.001 -17.407 1.00 50.44 C ATOM 1106 C VAL A 76 64.751 -7.251 -16.293 1.00 33.40 C ATOM 1107 O VAL A 76 64.626 -7.594 -15.111 1.00 12.34 O ATOM 1108 CB VAL A 76 62.513 -7.725 -17.322 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.217 -6.251 -17.533 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.757 -8.571 -18.333 1.00 70.33 C ATOM 0 H VAL A 76 63.761 -9.914 -16.620 1.00 52.24 H new ATOM 0 HA VAL A 76 64.390 -7.647 -18.373 1.00 50.44 H new ATOM 0 HB VAL A 76 62.176 -7.999 -16.322 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.142 -6.083 -17.468 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.723 -5.665 -16.766 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.573 -5.945 -18.517 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.690 -8.362 -18.257 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.103 -8.332 -19.339 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.935 -9.627 -18.129 1.00 70.33 H new