USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=11 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 173:sc= 0.0514 USER MOD Set 1.2: A 33 CYS SG : rot 170:sc= 1.92 USER MOD Set 1.3: A 63 CYS SG : rot 61:sc= -0.0989 USER MOD Set 1.4: A 66 CYS SG : rot -120:sc= 1.83 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.941 K(o=0.94,f=-1.2) USER MOD Single : A 37 TYR OH : rot -149:sc= -0.0432 USER MOD Single : A 52 THR OG1 : rot 98:sc= 1.32 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0.527 (180deg=0.325) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 75 MET CE :methyl -173:sc= -0.685 (180deg=-0.814) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.721 -7.148 -7.851 1.00 42.41 N ATOM 351 CA TYR A 25 66.106 -8.391 -8.270 1.00 12.14 C ATOM 352 C TYR A 25 65.691 -8.267 -9.722 1.00 32.30 C ATOM 353 O TYR A 25 65.621 -7.157 -10.253 1.00 32.03 O ATOM 354 CB TYR A 25 64.902 -8.729 -7.393 1.00 42.40 C ATOM 355 CG TYR A 25 65.268 -9.240 -6.015 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.578 -10.575 -5.813 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.298 -8.387 -4.920 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.903 -11.051 -4.557 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.625 -8.854 -3.662 1.00 35.34 C ATOM 360 CZ TYR A 25 65.927 -10.186 -3.485 1.00 72.10 C ATOM 361 OH TYR A 25 66.249 -10.655 -2.234 1.00 54.31 O ATOM 0 HA TYR A 25 66.826 -9.202 -8.163 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.282 -7.839 -7.286 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.296 -9.481 -7.899 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.565 -11.255 -6.652 1.00 12.22 H new ATOM 0 HD2 TYR A 25 65.062 -7.342 -5.054 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.137 -12.096 -4.416 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.644 -8.177 -2.820 1.00 35.34 H new ATOM 0 HH TYR A 25 66.221 -9.916 -1.591 1.00 54.31 H new ATOM 371 N LYS A 26 65.447 -9.383 -10.383 1.00 31.42 N ATOM 372 CA LYS A 26 65.063 -9.336 -11.782 1.00 10.43 C ATOM 373 C LYS A 26 63.603 -9.737 -11.952 1.00 64.22 C ATOM 374 O LYS A 26 63.032 -10.442 -11.113 1.00 33.23 O ATOM 375 CB LYS A 26 65.962 -10.248 -12.630 1.00 44.31 C ATOM 376 CG LYS A 26 67.439 -10.203 -12.250 1.00 40.14 C ATOM 377 CD LYS A 26 67.999 -8.787 -12.249 1.00 14.02 C ATOM 378 CE LYS A 26 69.446 -8.775 -11.772 1.00 14.41 C ATOM 379 NZ LYS A 26 69.978 -7.397 -11.593 1.00 2.34 N ATOM 0 H LYS A 26 65.506 -10.319 -9.982 1.00 31.42 H new ATOM 0 HA LYS A 26 65.188 -8.310 -12.128 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.607 -11.275 -12.540 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.860 -9.967 -13.678 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.570 -10.642 -11.261 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.009 -10.815 -12.949 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.939 -8.367 -13.253 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.393 -8.153 -11.602 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.518 -9.314 -10.827 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.066 -9.309 -12.492 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.965 -7.445 -11.268 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.937 -6.888 -12.499 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.405 -6.893 -10.887 1.00 2.34 H new ATOM 393 N LEU A 27 62.994 -9.260 -13.027 1.00 10.35 N ATOM 394 CA LEU A 27 61.639 -9.646 -13.372 1.00 63.42 C ATOM 395 C LEU A 27 61.662 -10.503 -14.625 1.00 12.52 C ATOM 396 O LEU A 27 61.964 -10.025 -15.714 1.00 23.11 O ATOM 397 CB LEU A 27 60.743 -8.419 -13.593 1.00 14.35 C ATOM 398 CG LEU A 27 60.394 -7.605 -12.340 1.00 74.43 C ATOM 399 CD1 LEU A 27 61.581 -6.775 -11.878 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.193 -6.713 -12.607 1.00 64.32 C ATOM 0 H LEU A 27 63.422 -8.601 -13.677 1.00 10.35 H new ATOM 0 HA LEU A 27 61.223 -10.215 -12.541 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.236 -7.758 -14.306 1.00 14.35 H new ATOM 0 HB3 LEU A 27 59.814 -8.751 -14.056 1.00 14.35 H new ATOM 0 HG LEU A 27 60.141 -8.303 -11.542 1.00 74.43 H new ATOM 0 HD11 LEU A 27 61.305 -6.209 -10.989 1.00 23.04 H new ATOM 0 HD12 LEU A 27 62.417 -7.434 -11.643 1.00 23.04 H new ATOM 0 HD13 LEU A 27 61.874 -6.086 -12.670 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.957 -6.142 -11.709 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.423 -6.028 -13.423 1.00 64.32 H new ATOM 0 HD23 LEU A 27 58.336 -7.329 -12.881 1.00 64.32 H new ATOM 412 N PHE A 28 61.370 -11.775 -14.467 1.00 1.00 N ATOM 413 CA PHE A 28 61.370 -12.695 -15.585 1.00 50.25 C ATOM 414 C PHE A 28 59.983 -12.784 -16.193 1.00 32.34 C ATOM 415 O PHE A 28 59.042 -13.247 -15.549 1.00 14.13 O ATOM 416 CB PHE A 28 61.851 -14.076 -15.144 1.00 13.43 C ATOM 417 CG PHE A 28 63.305 -14.105 -14.777 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.725 -13.722 -13.512 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.255 -14.508 -15.702 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.065 -13.742 -13.179 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.594 -14.529 -15.375 1.00 45.12 C ATOM 422 CZ PHE A 28 66.000 -14.146 -14.111 1.00 30.44 C ATOM 0 H PHE A 28 61.128 -12.198 -13.571 1.00 1.00 H new ATOM 0 HA PHE A 28 62.058 -12.319 -16.343 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.260 -14.403 -14.289 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.671 -14.790 -15.948 1.00 13.43 H new ATOM 0 HD1 PHE A 28 62.997 -13.405 -12.780 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.943 -14.809 -16.691 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.381 -13.442 -12.191 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.324 -14.844 -16.105 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.048 -14.163 -13.852 1.00 30.44 H new ATOM 432 N ARG A 29 59.852 -12.324 -17.425 1.00 72.21 N ATOM 433 CA ARG A 29 58.563 -12.342 -18.098 1.00 15.21 C ATOM 434 C ARG A 29 58.488 -13.499 -19.086 1.00 74.30 C ATOM 435 O ARG A 29 59.442 -13.769 -19.809 1.00 12.12 O ATOM 436 CB ARG A 29 58.292 -11.020 -18.823 1.00 53.45 C ATOM 437 CG ARG A 29 56.991 -11.041 -19.604 1.00 41.44 C ATOM 438 CD ARG A 29 56.791 -9.790 -20.448 1.00 1.41 C ATOM 439 NE ARG A 29 56.068 -8.743 -19.731 1.00 42.11 N ATOM 440 CZ ARG A 29 55.244 -7.873 -20.318 1.00 34.34 C ATOM 441 NH1 ARG A 29 55.048 -7.915 -21.632 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.610 -6.968 -19.583 1.00 21.35 N ATOM 0 H ARG A 29 60.616 -11.936 -17.978 1.00 72.21 H new ATOM 0 HA ARG A 29 57.797 -12.476 -17.334 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.262 -10.210 -18.095 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.117 -10.807 -19.503 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.975 -11.917 -20.252 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.157 -11.143 -18.910 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.762 -9.407 -20.761 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.244 -10.050 -21.354 1.00 1.41 H new ATOM 0 HE ARG A 29 56.201 -8.673 -18.722 1.00 42.11 H new ATOM 0 HH11 ARG A 29 55.529 -8.615 -22.197 1.00 14.43 H new ATOM 0 HH12 ARG A 29 54.417 -7.247 -22.075 1.00 14.43 H new ATOM 0 HH21 ARG A 29 54.754 -6.939 -18.574 1.00 21.35 H new ATOM 0 HH22 ARG A 29 53.979 -6.301 -20.028 1.00 21.35 H new ATOM 456 N CYS A 30 57.359 -14.183 -19.096 1.00 53.14 N ATOM 457 CA CYS A 30 57.131 -15.271 -20.031 1.00 13.35 C ATOM 458 C CYS A 30 56.834 -14.717 -21.418 1.00 23.11 C ATOM 459 O CYS A 30 55.888 -13.954 -21.598 1.00 13.32 O ATOM 460 CB CYS A 30 55.966 -16.133 -19.554 1.00 24.13 C ATOM 461 SG CYS A 30 55.607 -17.550 -20.612 1.00 1.33 S ATOM 0 H CYS A 30 56.580 -14.003 -18.463 1.00 53.14 H new ATOM 0 HA CYS A 30 58.030 -15.885 -20.082 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.183 -16.492 -18.548 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.074 -15.511 -19.485 1.00 24.13 H new ATOM 0 HG CYS A 30 54.714 -18.303 -20.041 1.00 1.33 H new ATOM 466 N ILE A 31 57.625 -15.132 -22.396 1.00 13.20 N ATOM 467 CA ILE A 31 57.515 -14.615 -23.755 1.00 62.43 C ATOM 468 C ILE A 31 56.322 -15.224 -24.475 1.00 64.12 C ATOM 469 O ILE A 31 55.911 -14.748 -25.529 1.00 21.10 O ATOM 470 CB ILE A 31 58.790 -14.900 -24.580 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.009 -16.413 -24.715 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.997 -14.235 -23.934 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.195 -16.792 -25.576 1.00 74.30 C ATOM 0 H ILE A 31 58.357 -15.832 -22.273 1.00 13.20 H new ATOM 0 HA ILE A 31 57.382 -13.537 -23.668 1.00 62.43 H new ATOM 0 HB ILE A 31 58.663 -14.482 -25.579 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.144 -16.840 -23.721 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.110 -16.863 -25.136 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.888 -14.444 -24.526 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.837 -13.158 -23.887 1.00 12.21 H new ATOM 0 HG23 ILE A 31 60.131 -14.626 -22.925 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.280 -17.878 -25.620 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.055 -16.398 -26.582 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.105 -16.374 -25.146 1.00 74.30 H new ATOM 485 N GLN A 32 55.770 -16.281 -23.898 1.00 51.33 N ATOM 486 CA GLN A 32 54.653 -16.981 -24.508 1.00 23.44 C ATOM 487 C GLN A 32 53.334 -16.282 -24.212 1.00 13.04 C ATOM 488 O GLN A 32 52.326 -16.552 -24.860 1.00 35.13 O ATOM 489 CB GLN A 32 54.599 -18.427 -24.014 1.00 55.24 C ATOM 490 CG GLN A 32 55.793 -19.268 -24.447 1.00 33.15 C ATOM 491 CD GLN A 32 55.991 -19.264 -25.952 1.00 11.55 C ATOM 492 OE1 GLN A 32 55.034 -19.122 -26.716 1.00 42.33 O ATOM 493 NE2 GLN A 32 57.228 -19.428 -26.392 1.00 22.30 N ATOM 0 H GLN A 32 56.079 -16.672 -23.008 1.00 51.33 H new ATOM 0 HA GLN A 32 54.806 -16.976 -25.587 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.541 -18.428 -22.926 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.685 -18.893 -24.382 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.694 -18.890 -23.964 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.654 -20.294 -24.105 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.994 -19.542 -25.729 1.00 22.30 H new ATOM 0 HE22 GLN A 32 57.415 -19.440 -27.395 1.00 22.30 H new ATOM 502 N CYS A 33 53.338 -15.377 -23.241 1.00 2.20 N ATOM 503 CA CYS A 33 52.106 -14.690 -22.864 1.00 22.24 C ATOM 504 C CYS A 33 52.375 -13.290 -22.318 1.00 72.42 C ATOM 505 O CYS A 33 51.812 -12.310 -22.805 1.00 22.31 O ATOM 506 CB CYS A 33 51.324 -15.527 -21.849 1.00 41.11 C ATOM 507 SG CYS A 33 52.275 -16.032 -20.396 1.00 25.30 S ATOM 0 H CYS A 33 54.164 -15.104 -22.708 1.00 2.20 H new ATOM 0 HA CYS A 33 51.504 -14.571 -23.765 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.457 -14.956 -21.518 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.947 -16.420 -22.348 1.00 41.11 H new ATOM 0 HG CYS A 33 51.474 -16.547 -19.511 1.00 25.30 H new ATOM 512 N GLY A 34 53.235 -13.191 -21.318 1.00 75.22 N ATOM 513 CA GLY A 34 53.523 -11.899 -20.729 1.00 61.15 C ATOM 514 C GLY A 34 53.471 -11.923 -19.216 1.00 41.20 C ATOM 515 O GLY A 34 53.457 -10.875 -18.575 1.00 65.41 O ATOM 0 H GLY A 34 53.737 -13.977 -20.904 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.512 -11.570 -21.049 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.807 -11.166 -21.102 1.00 61.15 H new ATOM 519 N PHE A 35 53.436 -13.120 -18.644 1.00 44.34 N ATOM 520 CA PHE A 35 53.440 -13.276 -17.195 1.00 63.14 C ATOM 521 C PHE A 35 54.777 -12.819 -16.613 1.00 62.11 C ATOM 522 O PHE A 35 55.821 -13.398 -16.919 1.00 22.11 O ATOM 523 CB PHE A 35 53.170 -14.739 -16.828 1.00 51.10 C ATOM 524 CG PHE A 35 53.150 -15.007 -15.347 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.018 -14.736 -14.597 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.262 -15.537 -14.708 1.00 75.13 C ATOM 527 CE1 PHE A 35 51.994 -14.987 -13.238 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.243 -15.789 -13.350 1.00 63.43 C ATOM 529 CZ PHE A 35 53.108 -15.514 -12.615 1.00 22.21 C ATOM 0 H PHE A 35 53.404 -13.998 -19.162 1.00 44.34 H new ATOM 0 HA PHE A 35 52.651 -12.654 -16.771 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.212 -15.038 -17.254 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.934 -15.365 -17.289 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.144 -14.324 -15.079 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.152 -15.755 -15.279 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.105 -14.771 -12.664 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.115 -16.201 -12.864 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.091 -15.711 -11.553 1.00 22.21 H new ATOM 539 N GLU A 36 54.740 -11.774 -15.793 1.00 21.30 N ATOM 540 CA GLU A 36 55.947 -11.223 -15.192 1.00 35.33 C ATOM 541 C GLU A 36 56.174 -11.776 -13.789 1.00 44.03 C ATOM 542 O GLU A 36 55.298 -11.699 -12.928 1.00 52.25 O ATOM 543 CB GLU A 36 55.867 -9.699 -15.138 1.00 30.54 C ATOM 544 CG GLU A 36 56.060 -9.029 -16.485 1.00 13.22 C ATOM 545 CD GLU A 36 55.885 -7.526 -16.420 1.00 51.45 C ATOM 546 OE1 GLU A 36 56.763 -6.846 -15.858 1.00 35.32 O ATOM 547 OE2 GLU A 36 54.876 -7.014 -16.948 1.00 54.43 O ATOM 0 H GLU A 36 53.882 -11.290 -15.529 1.00 21.30 H new ATOM 0 HA GLU A 36 56.790 -11.519 -15.817 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.897 -9.409 -14.734 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.624 -9.329 -14.446 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.057 -9.259 -16.861 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.347 -9.443 -17.198 1.00 13.22 H new ATOM 554 N TYR A 37 57.354 -12.333 -13.580 1.00 71.04 N ATOM 555 CA TYR A 37 57.756 -12.833 -12.268 1.00 2.31 C ATOM 556 C TYR A 37 58.845 -11.948 -11.663 1.00 2.10 C ATOM 557 O TYR A 37 59.956 -11.879 -12.180 1.00 33.24 O ATOM 558 CB TYR A 37 58.253 -14.282 -12.379 1.00 64.22 C ATOM 559 CG TYR A 37 58.971 -14.784 -11.144 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.270 -15.141 -10.000 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.355 -14.892 -11.125 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.931 -15.591 -8.871 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.023 -15.339 -10.002 1.00 42.11 C ATOM 564 CZ TYR A 37 60.307 -15.687 -8.879 1.00 3.33 C ATOM 565 OH TYR A 37 60.969 -16.131 -7.756 1.00 35.44 O ATOM 0 H TYR A 37 58.060 -12.453 -14.307 1.00 71.04 H new ATOM 0 HA TYR A 37 56.886 -12.808 -11.611 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.402 -14.932 -12.581 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.925 -14.360 -13.234 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.193 -15.066 -9.991 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.920 -14.621 -12.005 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.373 -15.866 -7.988 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.100 -15.415 -10.005 1.00 42.11 H new ATOM 0 HH TYR A 37 61.851 -15.707 -7.707 1.00 35.44 H new ATOM 575 N ASP A 38 58.514 -11.274 -10.571 1.00 70.50 N ATOM 576 CA ASP A 38 59.485 -10.451 -9.852 1.00 10.30 C ATOM 577 C ASP A 38 60.131 -11.289 -8.747 1.00 4.53 C ATOM 578 O ASP A 38 59.427 -11.835 -7.894 1.00 73.13 O ATOM 579 CB ASP A 38 58.790 -9.218 -9.245 1.00 64.12 C ATOM 580 CG ASP A 38 59.763 -8.196 -8.668 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.710 -8.598 -7.967 1.00 51.42 O ATOM 582 OD2 ASP A 38 59.563 -6.982 -8.896 1.00 30.54 O ATOM 0 H ASP A 38 57.580 -11.279 -10.160 1.00 70.50 H new ATOM 0 HA ASP A 38 60.253 -10.107 -10.544 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.183 -8.738 -10.013 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.109 -9.544 -8.459 1.00 64.12 H new ATOM 587 N GLU A 39 61.460 -11.405 -8.767 1.00 21.24 N ATOM 588 CA GLU A 39 62.179 -12.202 -7.768 1.00 73.35 C ATOM 589 C GLU A 39 61.972 -11.662 -6.349 1.00 61.05 C ATOM 590 O GLU A 39 62.064 -12.407 -5.368 1.00 14.23 O ATOM 591 CB GLU A 39 63.675 -12.237 -8.082 1.00 3.15 C ATOM 592 CG GLU A 39 64.042 -13.022 -9.332 1.00 2.32 C ATOM 593 CD GLU A 39 65.541 -13.072 -9.555 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.156 -11.993 -9.710 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.109 -14.186 -9.570 1.00 61.24 O ATOM 0 H GLU A 39 62.060 -10.959 -9.461 1.00 21.24 H new ATOM 0 HA GLU A 39 61.771 -13.212 -7.814 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.033 -11.214 -8.193 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.201 -12.668 -7.231 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.654 -14.037 -9.249 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.562 -12.568 -10.199 1.00 2.32 H new ATOM 602 N ALA A 40 61.682 -10.374 -6.239 1.00 41.21 N ATOM 603 CA ALA A 40 61.510 -9.735 -4.941 1.00 41.44 C ATOM 604 C ALA A 40 60.072 -9.862 -4.451 1.00 73.14 C ATOM 605 O ALA A 40 59.731 -9.406 -3.356 1.00 63.31 O ATOM 606 CB ALA A 40 61.913 -8.279 -5.018 1.00 64.54 C ATOM 0 H ALA A 40 61.560 -9.748 -7.035 1.00 41.21 H new ATOM 0 HA ALA A 40 62.155 -10.244 -4.225 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.780 -7.813 -4.042 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.959 -8.206 -5.315 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.291 -7.768 -5.752 1.00 64.54 H new ATOM 612 N LEU A 41 59.225 -10.467 -5.270 1.00 35.01 N ATOM 613 CA LEU A 41 57.843 -10.718 -4.889 1.00 43.03 C ATOM 614 C LEU A 41 57.603 -12.217 -4.754 1.00 41.24 C ATOM 615 O LEU A 41 56.945 -12.678 -3.817 1.00 5.12 O ATOM 616 CB LEU A 41 56.883 -10.121 -5.926 1.00 54.42 C ATOM 617 CG LEU A 41 55.393 -10.279 -5.608 1.00 52.33 C ATOM 618 CD1 LEU A 41 55.028 -9.509 -4.347 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.545 -9.813 -6.785 1.00 50.10 C ATOM 0 H LEU A 41 59.471 -10.794 -6.204 1.00 35.01 H new ATOM 0 HA LEU A 41 57.655 -10.240 -3.928 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.104 -9.059 -6.032 1.00 54.42 H new ATOM 0 HB3 LEU A 41 57.083 -10.586 -6.891 1.00 54.42 H new ATOM 0 HG LEU A 41 55.189 -11.335 -5.433 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.965 -9.634 -4.139 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.610 -9.889 -3.507 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.247 -8.451 -4.490 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.489 -9.932 -6.542 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.754 -8.763 -6.991 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.785 -10.410 -7.665 1.00 50.10 H new ATOM 631 N GLY A 42 58.156 -12.974 -5.691 1.00 60.35 N ATOM 632 CA GLY A 42 58.003 -14.408 -5.675 1.00 65.42 C ATOM 633 C GLY A 42 56.666 -14.840 -6.240 1.00 1.31 C ATOM 634 O GLY A 42 56.061 -14.125 -7.040 1.00 22.32 O ATOM 0 H GLY A 42 58.712 -12.613 -6.467 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.806 -14.865 -6.253 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.099 -14.772 -4.652 1.00 65.42 H new ATOM 638 N TRP A 43 56.201 -16.002 -5.811 1.00 34.01 N ATOM 639 CA TRP A 43 54.900 -16.505 -6.220 1.00 72.13 C ATOM 640 C TRP A 43 54.341 -17.404 -5.118 1.00 1.53 C ATOM 641 O TRP A 43 54.473 -18.632 -5.162 1.00 0.54 O ATOM 642 CB TRP A 43 54.988 -17.260 -7.555 1.00 22.21 C ATOM 643 CG TRP A 43 53.654 -17.454 -8.214 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.036 -18.639 -8.502 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.766 -16.422 -8.660 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.825 -18.404 -9.106 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.635 -17.052 -9.213 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.821 -15.024 -8.647 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.567 -16.334 -9.742 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.758 -14.314 -9.173 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.645 -14.970 -9.716 1.00 72.01 C ATOM 0 H TRP A 43 56.709 -16.618 -5.176 1.00 34.01 H new ATOM 0 HA TRP A 43 54.226 -15.662 -6.373 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.644 -16.713 -8.232 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.447 -18.234 -7.385 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.441 -19.617 -8.286 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.173 -19.121 -9.424 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.677 -14.510 -8.234 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.707 -16.837 -10.158 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.786 -13.234 -9.165 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.833 -14.386 -10.122 1.00 72.01 H new ATOM 662 N PRO A 44 53.721 -16.786 -4.101 1.00 45.41 N ATOM 663 CA PRO A 44 53.223 -17.493 -2.918 1.00 41.22 C ATOM 664 C PRO A 44 52.092 -18.459 -3.248 1.00 43.31 C ATOM 665 O PRO A 44 51.740 -19.313 -2.436 1.00 52.04 O ATOM 666 CB PRO A 44 52.715 -16.387 -1.990 1.00 1.41 C ATOM 667 CG PRO A 44 53.146 -15.092 -2.596 1.00 43.31 C ATOM 668 CD PRO A 44 53.460 -15.345 -4.041 1.00 12.02 C ATOM 0 HA PRO A 44 54.008 -18.103 -2.472 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.630 -16.429 -1.895 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.127 -16.502 -0.988 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.358 -14.345 -2.501 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.021 -14.700 -2.078 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.627 -15.063 -4.686 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.326 -14.769 -4.368 1.00 12.02 H new ATOM 676 N GLU A 45 51.512 -18.300 -4.431 1.00 52.10 N ATOM 677 CA GLU A 45 50.515 -19.247 -4.929 1.00 33.11 C ATOM 678 C GLU A 45 51.080 -20.668 -4.921 1.00 32.45 C ATOM 679 O GLU A 45 50.421 -21.604 -4.469 1.00 53.21 O ATOM 680 CB GLU A 45 50.073 -18.866 -6.344 1.00 63.41 C ATOM 681 CG GLU A 45 49.008 -19.782 -6.925 1.00 44.43 C ATOM 682 CD GLU A 45 48.630 -19.406 -8.344 1.00 32.53 C ATOM 683 OE1 GLU A 45 49.364 -19.792 -9.281 1.00 61.31 O ATOM 684 OE2 GLU A 45 47.603 -18.722 -8.532 1.00 63.33 O ATOM 0 H GLU A 45 51.713 -17.526 -5.065 1.00 52.10 H new ATOM 0 HA GLU A 45 49.647 -19.210 -4.270 1.00 33.11 H new ATOM 0 HB2 GLU A 45 49.693 -17.845 -6.332 1.00 63.41 H new ATOM 0 HB3 GLU A 45 50.943 -18.875 -7.000 1.00 63.41 H new ATOM 0 HG2 GLU A 45 49.370 -20.810 -6.909 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.120 -19.747 -6.294 1.00 44.43 H new ATOM 691 N ASP A 46 52.307 -20.823 -5.405 1.00 54.25 N ATOM 692 CA ASP A 46 52.955 -22.133 -5.411 1.00 30.40 C ATOM 693 C ASP A 46 53.830 -22.300 -4.176 1.00 61.32 C ATOM 694 O ASP A 46 54.105 -23.418 -3.741 1.00 73.23 O ATOM 695 CB ASP A 46 53.805 -22.317 -6.673 1.00 23.20 C ATOM 696 CG ASP A 46 54.505 -23.668 -6.722 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.857 -24.670 -7.096 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.708 -23.734 -6.391 1.00 44.11 O ATOM 0 H ASP A 46 52.870 -20.067 -5.795 1.00 54.25 H new ATOM 0 HA ASP A 46 52.173 -22.893 -5.402 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.169 -22.210 -7.552 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.552 -21.524 -6.721 1.00 23.20 H new ATOM 703 N GLY A 47 54.241 -21.184 -3.593 1.00 73.12 N ATOM 704 CA GLY A 47 55.089 -21.239 -2.419 1.00 12.11 C ATOM 705 C GLY A 47 56.431 -20.577 -2.640 1.00 64.11 C ATOM 706 O GLY A 47 57.293 -20.594 -1.761 1.00 22.42 O ATOM 0 H GLY A 47 54.004 -20.244 -3.910 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.581 -20.754 -1.585 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.244 -22.280 -2.135 1.00 12.11 H new ATOM 710 N ILE A 48 56.614 -19.996 -3.818 1.00 0.01 N ATOM 711 CA ILE A 48 57.840 -19.278 -4.131 1.00 25.24 C ATOM 712 C ILE A 48 57.927 -18.016 -3.278 1.00 62.01 C ATOM 713 O ILE A 48 57.167 -17.070 -3.479 1.00 62.43 O ATOM 714 CB ILE A 48 57.907 -18.889 -5.626 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.706 -20.118 -6.523 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.233 -18.214 -5.941 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.788 -21.169 -6.380 1.00 43.03 C ATOM 0 H ILE A 48 55.928 -20.008 -4.573 1.00 0.01 H new ATOM 0 HA ILE A 48 58.679 -19.939 -3.913 1.00 25.24 H new ATOM 0 HB ILE A 48 57.100 -18.185 -5.829 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.742 -20.570 -6.291 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.664 -19.793 -7.563 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.263 -17.947 -6.997 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.336 -17.313 -5.336 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.052 -18.897 -5.716 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.574 -22.005 -7.046 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.753 -20.735 -6.641 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.816 -21.524 -5.350 1.00 43.03 H new ATOM 729 N ALA A 49 58.837 -18.017 -2.319 1.00 31.20 N ATOM 730 CA ALA A 49 58.963 -16.910 -1.385 1.00 5.11 C ATOM 731 C ALA A 49 59.711 -15.742 -2.009 1.00 32.55 C ATOM 732 O ALA A 49 60.627 -15.936 -2.814 1.00 44.13 O ATOM 733 CB ALA A 49 59.676 -17.372 -0.125 1.00 50.42 C ATOM 0 H ALA A 49 59.502 -18.775 -2.166 1.00 31.20 H new ATOM 0 HA ALA A 49 57.960 -16.569 -1.129 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.766 -16.536 0.569 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.104 -18.173 0.344 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.670 -17.738 -0.383 1.00 50.42 H new ATOM 739 N ALA A 50 59.308 -14.534 -1.645 1.00 43.33 N ATOM 740 CA ALA A 50 60.004 -13.332 -2.073 1.00 31.42 C ATOM 741 C ALA A 50 61.474 -13.416 -1.687 1.00 65.35 C ATOM 742 O ALA A 50 61.805 -13.674 -0.525 1.00 33.24 O ATOM 743 CB ALA A 50 59.366 -12.099 -1.453 1.00 12.13 C ATOM 0 H ALA A 50 58.497 -14.361 -1.051 1.00 43.33 H new ATOM 0 HA ALA A 50 59.928 -13.251 -3.157 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.899 -11.208 -1.784 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.323 -12.034 -1.763 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.417 -12.170 -0.367 1.00 12.13 H new ATOM 749 N GLY A 51 62.346 -13.218 -2.658 1.00 23.11 N ATOM 750 CA GLY A 51 63.763 -13.354 -2.413 1.00 51.21 C ATOM 751 C GLY A 51 64.329 -14.604 -3.053 1.00 12.22 C ATOM 752 O GLY A 51 65.547 -14.767 -3.143 1.00 44.15 O ATOM 0 H GLY A 51 62.098 -12.965 -3.614 1.00 23.11 H new ATOM 0 HA2 GLY A 51 64.284 -12.479 -2.802 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.945 -13.382 -1.339 1.00 51.21 H new ATOM 756 N THR A 52 63.443 -15.499 -3.483 1.00 34.23 N ATOM 757 CA THR A 52 63.869 -16.689 -4.201 1.00 72.11 C ATOM 758 C THR A 52 64.381 -16.308 -5.581 1.00 32.45 C ATOM 759 O THR A 52 63.668 -15.693 -6.376 1.00 11.25 O ATOM 760 CB THR A 52 62.721 -17.712 -4.339 1.00 4.53 C ATOM 761 OG1 THR A 52 62.196 -18.031 -3.043 1.00 61.21 O ATOM 762 CG2 THR A 52 63.203 -18.984 -5.020 1.00 63.31 C ATOM 0 H THR A 52 62.435 -15.421 -3.347 1.00 34.23 H new ATOM 0 HA THR A 52 64.669 -17.154 -3.626 1.00 72.11 H new ATOM 0 HB THR A 52 61.939 -17.266 -4.953 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.393 -17.496 -2.875 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.375 -19.688 -5.105 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.579 -18.744 -6.015 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.002 -19.433 -4.429 1.00 63.31 H new ATOM 770 N ARG A 53 65.624 -16.667 -5.844 1.00 11.11 N ATOM 771 CA ARG A 53 66.272 -16.337 -7.094 1.00 1.42 C ATOM 772 C ARG A 53 65.874 -17.308 -8.187 1.00 24.11 C ATOM 773 O ARG A 53 65.446 -18.428 -7.912 1.00 33.21 O ATOM 774 CB ARG A 53 67.785 -16.366 -6.905 1.00 42.33 C ATOM 775 CG ARG A 53 68.340 -15.113 -6.259 1.00 70.11 C ATOM 776 CD ARG A 53 68.502 -14.009 -7.289 1.00 62.02 C ATOM 777 NE ARG A 53 69.306 -14.467 -8.428 1.00 73.44 N ATOM 778 CZ ARG A 53 69.483 -13.778 -9.551 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.941 -12.580 -9.697 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.205 -14.305 -10.533 1.00 20.33 N ATOM 0 H ARG A 53 66.210 -17.195 -5.197 1.00 11.11 H new ATOM 0 HA ARG A 53 65.956 -15.338 -7.394 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.050 -17.228 -6.293 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.261 -16.506 -7.875 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.673 -14.781 -5.464 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.303 -15.331 -5.797 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.521 -13.686 -7.638 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.978 -13.143 -6.828 1.00 62.02 H new ATOM 0 HE ARG A 53 69.761 -15.377 -8.353 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.382 -12.178 -8.944 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.082 -12.058 -10.562 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.618 -15.231 -10.422 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.346 -13.784 -11.398 1.00 20.33 H new ATOM 794 N TRP A 54 66.024 -16.873 -9.427 1.00 75.02 N ATOM 795 CA TRP A 54 65.806 -17.735 -10.579 1.00 4.51 C ATOM 796 C TRP A 54 66.763 -18.927 -10.523 1.00 51.50 C ATOM 797 O TRP A 54 66.479 -19.998 -11.058 1.00 53.22 O ATOM 798 CB TRP A 54 66.026 -16.940 -11.866 1.00 14.02 C ATOM 799 CG TRP A 54 65.405 -17.558 -13.080 1.00 2.34 C ATOM 800 CD1 TRP A 54 66.049 -18.164 -14.119 1.00 3.31 C ATOM 801 CD2 TRP A 54 64.009 -17.618 -13.380 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.135 -18.593 -15.051 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.875 -18.272 -14.618 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.858 -17.184 -12.719 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.635 -18.497 -15.207 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.628 -17.408 -13.305 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.525 -18.060 -14.539 1.00 44.10 C ATOM 0 H TRP A 54 66.298 -15.920 -9.664 1.00 75.02 H new ATOM 0 HA TRP A 54 64.781 -18.106 -10.564 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.621 -15.937 -11.734 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.097 -16.831 -12.035 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.119 -18.288 -14.197 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.358 -19.072 -15.923 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.929 -16.682 -11.766 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.552 -19.000 -16.159 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.732 -17.075 -12.803 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.549 -18.221 -14.972 1.00 44.10 H new ATOM 818 N ASP A 55 67.894 -18.723 -9.854 1.00 34.41 N ATOM 819 CA ASP A 55 68.882 -19.777 -9.650 1.00 13.53 C ATOM 820 C ASP A 55 68.342 -20.836 -8.695 1.00 43.20 C ATOM 821 O ASP A 55 68.742 -22.000 -8.742 1.00 13.14 O ATOM 822 CB ASP A 55 70.180 -19.197 -9.079 1.00 34.21 C ATOM 823 CG ASP A 55 70.766 -18.096 -9.937 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.508 -18.406 -10.890 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.498 -16.909 -9.650 1.00 31.22 O ATOM 0 H ASP A 55 68.150 -17.827 -9.440 1.00 34.41 H new ATOM 0 HA ASP A 55 69.089 -20.235 -10.617 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.988 -18.807 -8.079 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.913 -19.997 -8.974 1.00 34.21 H new ATOM 830 N ASP A 56 67.422 -20.422 -7.832 1.00 74.00 N ATOM 831 CA ASP A 56 66.837 -21.316 -6.833 1.00 13.50 C ATOM 832 C ASP A 56 65.613 -22.021 -7.398 1.00 35.01 C ATOM 833 O ASP A 56 64.997 -22.852 -6.728 1.00 73.34 O ATOM 834 CB ASP A 56 66.432 -20.541 -5.571 1.00 10.43 C ATOM 835 CG ASP A 56 67.600 -19.897 -4.851 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.420 -20.632 -4.260 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.703 -18.651 -4.866 1.00 45.42 O ATOM 0 H ASP A 56 67.062 -19.468 -7.802 1.00 74.00 H new ATOM 0 HA ASP A 56 67.594 -22.055 -6.570 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.714 -19.768 -5.845 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.924 -21.220 -4.886 1.00 10.43 H new ATOM 842 N ILE A 57 65.256 -21.681 -8.623 1.00 54.25 N ATOM 843 CA ILE A 57 64.084 -22.250 -9.263 1.00 24.31 C ATOM 844 C ILE A 57 64.495 -23.287 -10.304 1.00 43.24 C ATOM 845 O ILE A 57 65.220 -22.973 -11.249 1.00 14.33 O ATOM 846 CB ILE A 57 63.230 -21.154 -9.936 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.785 -20.113 -8.901 1.00 25.30 C ATOM 848 CG2 ILE A 57 62.022 -21.767 -10.629 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.984 -18.971 -9.489 1.00 14.05 C ATOM 0 H ILE A 57 65.765 -21.009 -9.198 1.00 54.25 H new ATOM 0 HA ILE A 57 63.486 -22.732 -8.490 1.00 24.31 H new ATOM 0 HB ILE A 57 63.840 -20.655 -10.689 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.187 -20.608 -8.136 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.667 -19.708 -8.404 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.432 -20.979 -11.097 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.358 -22.470 -11.391 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.409 -22.291 -9.896 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.705 -18.276 -8.697 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.586 -18.450 -10.234 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.083 -19.363 -9.961 1.00 14.05 H new ATOM 861 N PRO A 58 64.055 -24.539 -10.127 1.00 63.44 N ATOM 862 CA PRO A 58 64.322 -25.612 -11.089 1.00 3.44 C ATOM 863 C PRO A 58 63.454 -25.483 -12.339 1.00 51.00 C ATOM 864 O PRO A 58 62.332 -24.973 -12.277 1.00 45.01 O ATOM 865 CB PRO A 58 63.960 -26.878 -10.312 1.00 24.00 C ATOM 866 CG PRO A 58 62.927 -26.438 -9.332 1.00 73.11 C ATOM 867 CD PRO A 58 63.269 -25.014 -8.972 1.00 50.42 C ATOM 0 HA PRO A 58 65.351 -25.600 -11.450 1.00 3.44 H new ATOM 0 HB2 PRO A 58 63.573 -27.652 -10.975 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.831 -27.296 -9.808 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.928 -26.501 -9.764 1.00 73.11 H new ATOM 0 HG3 PRO A 58 62.933 -27.075 -8.448 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.372 -24.412 -8.824 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.844 -24.962 -8.048 1.00 50.42 H new ATOM 875 N ASP A 59 63.966 -25.966 -13.469 1.00 25.01 N ATOM 876 CA ASP A 59 63.262 -25.869 -14.752 1.00 41.44 C ATOM 877 C ASP A 59 62.039 -26.772 -14.794 1.00 34.41 C ATOM 878 O ASP A 59 61.320 -26.821 -15.791 1.00 72.22 O ATOM 879 CB ASP A 59 64.203 -26.180 -15.916 1.00 1.55 C ATOM 880 CG ASP A 59 65.102 -25.005 -16.237 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.006 -24.702 -15.428 1.00 11.32 O ATOM 882 OD2 ASP A 59 64.890 -24.357 -17.281 1.00 4.21 O ATOM 0 H ASP A 59 64.872 -26.432 -13.525 1.00 25.01 H new ATOM 0 HA ASP A 59 62.915 -24.841 -14.854 1.00 41.44 H new ATOM 0 HB2 ASP A 59 64.813 -27.049 -15.669 1.00 1.55 H new ATOM 0 HB3 ASP A 59 63.618 -26.442 -16.797 1.00 1.55 H new ATOM 887 N ASP A 60 61.811 -27.481 -13.699 1.00 32.43 N ATOM 888 CA ASP A 60 60.618 -28.295 -13.540 1.00 54.13 C ATOM 889 C ASP A 60 59.416 -27.396 -13.296 1.00 24.24 C ATOM 890 O ASP A 60 58.271 -27.806 -13.472 1.00 12.35 O ATOM 891 CB ASP A 60 60.780 -29.251 -12.358 1.00 23.23 C ATOM 892 CG ASP A 60 61.930 -30.221 -12.539 1.00 23.22 C ATOM 893 OD1 ASP A 60 63.097 -29.778 -12.514 1.00 70.35 O ATOM 894 OD2 ASP A 60 61.670 -31.431 -12.713 1.00 42.45 O ATOM 0 H ASP A 60 62.445 -27.508 -12.900 1.00 32.43 H new ATOM 0 HA ASP A 60 60.467 -28.876 -14.450 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.939 -28.672 -11.448 1.00 23.23 H new ATOM 0 HB3 ASP A 60 59.856 -29.812 -12.222 1.00 23.23 H new ATOM 899 N TRP A 61 59.696 -26.163 -12.888 1.00 5.24 N ATOM 900 CA TRP A 61 58.655 -25.183 -12.625 1.00 42.43 C ATOM 901 C TRP A 61 58.206 -24.514 -13.921 1.00 33.21 C ATOM 902 O TRP A 61 58.981 -23.808 -14.572 1.00 22.24 O ATOM 903 CB TRP A 61 59.161 -24.128 -11.632 1.00 54.42 C ATOM 904 CG TRP A 61 58.152 -23.067 -11.307 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.036 -23.210 -10.539 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.177 -21.695 -11.725 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.354 -22.021 -10.465 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.036 -21.073 -11.183 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.050 -20.934 -12.509 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.748 -19.726 -11.398 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.762 -19.599 -12.721 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.621 -19.008 -12.167 1.00 25.01 C ATOM 0 H TRP A 61 60.644 -25.819 -12.732 1.00 5.24 H new ATOM 0 HA TRP A 61 57.799 -25.698 -12.189 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.461 -24.625 -10.710 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.053 -23.654 -12.043 1.00 54.42 H new ATOM 0 HD1 TRP A 61 56.731 -24.127 -10.057 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.482 -21.868 -9.958 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.933 -21.381 -12.941 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.868 -19.267 -10.973 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.429 -19.002 -13.325 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.426 -17.962 -12.351 1.00 25.01 H new ATOM 923 N SER A 62 56.965 -24.758 -14.301 1.00 54.20 N ATOM 924 CA SER A 62 56.387 -24.125 -15.468 1.00 3.30 C ATOM 925 C SER A 62 55.608 -22.880 -15.061 1.00 13.23 C ATOM 926 O SER A 62 55.126 -22.783 -13.930 1.00 63.43 O ATOM 927 CB SER A 62 55.476 -25.115 -16.200 1.00 63.43 C ATOM 928 OG SER A 62 54.786 -25.945 -15.280 1.00 64.32 O ATOM 0 H SER A 62 56.336 -25.395 -13.813 1.00 54.20 H new ATOM 0 HA SER A 62 57.188 -23.823 -16.143 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.758 -24.570 -16.813 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.070 -25.730 -16.876 1.00 63.43 H new ATOM 0 HG SER A 62 54.209 -26.568 -15.770 1.00 64.32 H new ATOM 934 N CYS A 63 55.506 -21.928 -15.978 1.00 24.15 N ATOM 935 CA CYS A 63 54.734 -20.718 -15.750 1.00 63.43 C ATOM 936 C CYS A 63 53.300 -21.068 -15.363 1.00 24.51 C ATOM 937 O CYS A 63 52.598 -21.731 -16.124 1.00 44.14 O ATOM 938 CB CYS A 63 54.743 -19.855 -17.013 1.00 63.12 C ATOM 939 SG CYS A 63 53.844 -18.294 -16.860 1.00 13.20 S ATOM 0 H CYS A 63 55.953 -21.973 -16.894 1.00 24.15 H new ATOM 0 HA CYS A 63 55.186 -20.159 -14.931 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.777 -19.639 -17.283 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.312 -20.429 -17.833 1.00 63.12 H new ATOM 0 HG CYS A 63 54.383 -17.573 -15.923 1.00 13.20 H new ATOM 944 N PRO A 64 52.840 -20.607 -14.188 1.00 12.23 N ATOM 945 CA PRO A 64 51.502 -20.924 -13.663 1.00 52.51 C ATOM 946 C PRO A 64 50.371 -20.320 -14.494 1.00 52.22 C ATOM 947 O PRO A 64 49.198 -20.430 -14.137 1.00 21.33 O ATOM 948 CB PRO A 64 51.506 -20.310 -12.254 1.00 2.43 C ATOM 949 CG PRO A 64 52.936 -20.025 -11.947 1.00 63.34 C ATOM 950 CD PRO A 64 53.592 -19.748 -13.264 1.00 75.23 C ATOM 0 HA PRO A 64 51.320 -21.999 -13.680 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.909 -19.399 -12.221 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.078 -20.998 -11.525 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.029 -19.170 -11.277 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.405 -20.873 -11.448 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.519 -18.696 -13.539 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.652 -20.000 -13.249 1.00 75.23 H new ATOM 958 N ASP A 65 50.730 -19.681 -15.599 1.00 62.43 N ATOM 959 CA ASP A 65 49.758 -19.056 -16.482 1.00 4.14 C ATOM 960 C ASP A 65 49.575 -19.868 -17.762 1.00 73.14 C ATOM 961 O ASP A 65 48.461 -20.265 -18.100 1.00 75.43 O ATOM 962 CB ASP A 65 50.206 -17.631 -16.820 1.00 75.11 C ATOM 963 CG ASP A 65 49.327 -16.961 -17.856 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.190 -16.564 -17.517 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.780 -16.803 -19.006 1.00 12.44 O ATOM 0 H ASP A 65 51.698 -19.582 -15.906 1.00 62.43 H new ATOM 0 HA ASP A 65 48.798 -19.020 -15.966 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.206 -17.031 -15.910 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.233 -17.656 -17.185 1.00 75.11 H new ATOM 970 N CYS A 66 50.670 -20.130 -18.464 1.00 24.23 N ATOM 971 CA CYS A 66 50.596 -20.797 -19.761 1.00 44.35 C ATOM 972 C CYS A 66 51.246 -22.181 -19.742 1.00 61.50 C ATOM 973 O CYS A 66 51.050 -22.977 -20.662 1.00 33.10 O ATOM 974 CB CYS A 66 51.271 -19.928 -20.817 1.00 11.53 C ATOM 975 SG CYS A 66 52.963 -19.460 -20.391 1.00 2.42 S ATOM 0 H CYS A 66 51.615 -19.893 -18.161 1.00 24.23 H new ATOM 0 HA CYS A 66 49.542 -20.936 -20.000 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.279 -20.464 -21.766 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.679 -19.025 -20.965 1.00 11.53 H new ATOM 0 HG CYS A 66 53.053 -18.164 -20.333 1.00 2.42 H new ATOM 980 N GLY A 67 52.027 -22.459 -18.707 1.00 11.35 N ATOM 981 CA GLY A 67 52.704 -23.744 -18.600 1.00 2.21 C ATOM 982 C GLY A 67 54.056 -23.767 -19.292 1.00 45.15 C ATOM 983 O GLY A 67 54.734 -24.794 -19.304 1.00 12.15 O ATOM 0 H GLY A 67 52.207 -21.817 -17.935 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.838 -23.990 -17.547 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.069 -24.519 -19.030 1.00 2.21 H new ATOM 987 N ALA A 68 54.451 -22.642 -19.875 1.00 3.21 N ATOM 988 CA ALA A 68 55.752 -22.542 -20.524 1.00 51.33 C ATOM 989 C ALA A 68 56.869 -22.646 -19.493 1.00 24.02 C ATOM 990 O ALA A 68 56.740 -22.141 -18.376 1.00 24.41 O ATOM 991 CB ALA A 68 55.861 -21.241 -21.297 1.00 22.41 C ATOM 0 H ALA A 68 53.892 -21.790 -19.912 1.00 3.21 H new ATOM 0 HA ALA A 68 55.853 -23.369 -21.227 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.839 -21.183 -21.775 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.082 -21.204 -22.058 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.741 -20.400 -20.613 1.00 22.41 H new ATOM 997 N ALA A 69 57.959 -23.298 -19.868 1.00 63.43 N ATOM 998 CA ALA A 69 59.069 -23.521 -18.953 1.00 14.25 C ATOM 999 C ALA A 69 59.927 -22.269 -18.814 1.00 45.14 C ATOM 1000 O ALA A 69 59.686 -21.261 -19.481 1.00 64.45 O ATOM 1001 CB ALA A 69 59.918 -24.687 -19.429 1.00 43.25 C ATOM 0 H ALA A 69 58.099 -23.683 -20.802 1.00 63.43 H new ATOM 0 HA ALA A 69 58.655 -23.759 -17.973 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.744 -24.842 -18.735 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.307 -25.588 -19.473 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.313 -24.468 -20.421 1.00 43.25 H new ATOM 1007 N LYS A 70 60.944 -22.357 -17.963 1.00 44.04 N ATOM 1008 CA LYS A 70 61.849 -21.239 -17.699 1.00 2.40 C ATOM 1009 C LYS A 70 62.544 -20.758 -18.973 1.00 33.52 C ATOM 1010 O LYS A 70 62.897 -19.583 -19.102 1.00 53.10 O ATOM 1011 CB LYS A 70 62.879 -21.653 -16.649 1.00 2.20 C ATOM 1012 CG LYS A 70 62.263 -21.901 -15.281 1.00 4.42 C ATOM 1013 CD LYS A 70 63.219 -22.601 -14.324 1.00 65.43 C ATOM 1014 CE LYS A 70 64.478 -21.795 -14.038 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.569 -22.068 -15.015 1.00 61.24 N ATOM 0 H LYS A 70 61.166 -23.202 -17.437 1.00 44.04 H new ATOM 0 HA LYS A 70 61.259 -20.404 -17.321 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.387 -22.558 -16.983 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.637 -20.875 -16.565 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.954 -20.949 -14.848 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.363 -22.506 -15.396 1.00 4.42 H new ATOM 0 HD2 LYS A 70 62.702 -22.800 -13.385 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.501 -23.567 -14.744 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.236 -20.732 -14.057 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.831 -22.024 -13.032 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.343 -21.389 -14.870 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.926 -23.035 -14.875 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.201 -21.971 -15.983 1.00 61.24 H new ATOM 1029 N SER A 71 62.704 -21.671 -19.920 1.00 24.44 N ATOM 1030 CA SER A 71 63.340 -21.373 -21.195 1.00 74.02 C ATOM 1031 C SER A 71 62.590 -20.272 -21.951 1.00 74.23 C ATOM 1032 O SER A 71 63.154 -19.611 -22.824 1.00 30.43 O ATOM 1033 CB SER A 71 63.378 -22.646 -22.031 1.00 35.23 C ATOM 1034 OG SER A 71 63.831 -23.741 -21.254 1.00 35.24 O ATOM 0 H SER A 71 62.397 -22.639 -19.826 1.00 24.44 H new ATOM 0 HA SER A 71 64.351 -21.012 -21.008 1.00 74.02 H new ATOM 0 HB2 SER A 71 62.384 -22.859 -22.424 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.036 -22.505 -22.888 1.00 35.23 H new ATOM 0 HG SER A 71 63.847 -24.550 -21.807 1.00 35.24 H new ATOM 1040 N ASP A 72 61.322 -20.071 -21.603 1.00 22.41 N ATOM 1041 CA ASP A 72 60.489 -19.085 -22.278 1.00 53.55 C ATOM 1042 C ASP A 72 60.350 -17.814 -21.450 1.00 72.53 C ATOM 1043 O ASP A 72 59.431 -17.025 -21.662 1.00 51.33 O ATOM 1044 CB ASP A 72 59.104 -19.661 -22.583 1.00 31.01 C ATOM 1045 CG ASP A 72 59.132 -20.635 -23.738 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.336 -20.193 -24.885 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.959 -21.850 -23.506 1.00 20.11 O ATOM 0 H ASP A 72 60.850 -20.580 -20.856 1.00 22.41 H new ATOM 0 HA ASP A 72 60.982 -18.831 -23.216 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.718 -20.163 -21.696 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.417 -18.847 -22.813 1.00 31.01 H new ATOM 1052 N PHE A 73 61.257 -17.610 -20.506 1.00 54.42 N ATOM 1053 CA PHE A 73 61.257 -16.381 -19.727 1.00 32.03 C ATOM 1054 C PHE A 73 62.386 -15.457 -20.162 1.00 41.43 C ATOM 1055 O PHE A 73 63.459 -15.914 -20.562 1.00 33.41 O ATOM 1056 CB PHE A 73 61.370 -16.680 -18.233 1.00 12.00 C ATOM 1057 CG PHE A 73 60.091 -17.179 -17.618 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.728 -18.510 -17.722 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.252 -16.314 -16.932 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.556 -18.973 -17.154 1.00 43.50 C ATOM 1061 CE2 PHE A 73 58.077 -16.769 -16.360 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.731 -18.101 -16.470 1.00 32.20 C ATOM 0 H PHE A 73 61.994 -18.271 -20.263 1.00 54.42 H new ATOM 0 HA PHE A 73 60.308 -15.877 -19.909 1.00 32.03 H new ATOM 0 HB2 PHE A 73 62.152 -17.424 -18.078 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.684 -15.775 -17.713 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.369 -19.197 -18.254 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.519 -15.271 -16.843 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.286 -20.015 -17.245 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.432 -16.084 -15.829 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.817 -18.461 -16.022 1.00 32.20 H new ATOM 1072 N GLU A 74 62.123 -14.160 -20.100 1.00 11.30 N ATOM 1073 CA GLU A 74 63.123 -13.149 -20.405 1.00 71.52 C ATOM 1074 C GLU A 74 63.471 -12.380 -19.138 1.00 63.42 C ATOM 1075 O GLU A 74 62.604 -12.132 -18.295 1.00 24.10 O ATOM 1076 CB GLU A 74 62.611 -12.180 -21.481 1.00 55.11 C ATOM 1077 CG GLU A 74 61.340 -11.438 -21.087 1.00 15.31 C ATOM 1078 CD GLU A 74 60.916 -10.402 -22.109 1.00 10.03 C ATOM 1079 OE1 GLU A 74 60.547 -10.786 -23.236 1.00 33.13 O ATOM 1080 OE2 GLU A 74 60.937 -9.192 -21.786 1.00 22.12 O ATOM 0 H GLU A 74 61.213 -13.780 -19.838 1.00 11.30 H new ATOM 0 HA GLU A 74 64.014 -13.645 -20.789 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.392 -11.452 -21.702 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.425 -12.737 -22.399 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.533 -12.158 -20.952 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.495 -10.949 -20.125 1.00 15.31 H new ATOM 1087 N MET A 75 64.736 -12.017 -19.000 1.00 1.12 N ATOM 1088 CA MET A 75 65.198 -11.323 -17.811 1.00 0.12 C ATOM 1089 C MET A 75 65.044 -9.816 -17.963 1.00 41.40 C ATOM 1090 O MET A 75 65.822 -9.165 -18.664 1.00 64.03 O ATOM 1091 CB MET A 75 66.663 -11.663 -17.518 1.00 65.23 C ATOM 1092 CG MET A 75 67.192 -11.021 -16.242 1.00 22.24 C ATOM 1093 SD MET A 75 68.962 -11.276 -15.999 1.00 62.41 S ATOM 1094 CE MET A 75 69.057 -13.065 -15.997 1.00 41.21 C ATOM 0 H MET A 75 65.460 -12.192 -19.697 1.00 1.12 H new ATOM 0 HA MET A 75 64.582 -11.656 -16.976 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.768 -12.745 -17.442 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.278 -11.342 -18.359 1.00 65.23 H new ATOM 0 HG2 MET A 75 66.986 -9.951 -16.269 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.652 -11.428 -15.387 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.068 -13.375 -15.733 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.352 -13.466 -15.269 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.809 -13.444 -16.989 1.00 41.21 H new ATOM 1104 N VAL A 76 64.033 -9.270 -17.313 1.00 52.24 N ATOM 1105 CA VAL A 76 63.835 -7.833 -17.278 1.00 50.44 C ATOM 1106 C VAL A 76 64.495 -7.266 -16.030 1.00 33.40 C ATOM 1107 O VAL A 76 64.062 -7.536 -14.909 1.00 12.34 O ATOM 1108 CB VAL A 76 62.336 -7.457 -17.280 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.157 -5.949 -17.349 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.608 -8.137 -18.427 1.00 70.33 C ATOM 0 H VAL A 76 63.332 -9.804 -16.799 1.00 52.24 H new ATOM 0 HA VAL A 76 64.286 -7.410 -18.176 1.00 50.44 H new ATOM 0 HB VAL A 76 61.900 -7.809 -16.345 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.094 -5.708 -17.349 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.634 -5.486 -16.485 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.615 -5.570 -18.262 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.555 -7.857 -18.407 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.049 -7.825 -19.374 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.697 -9.218 -18.325 1.00 70.33 H new