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 180:sc= -1.24 USER MOD Set 1.2: A 33 CYS SG : rot 172:sc= 1.11 USER MOD Set 1.3: A 63 CYS SG : rot 58:sc= -2.61! USER MOD Set 1.4: A 66 CYS SG : rot -36:sc= 1.28 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= 0.753 K(o=0.75,f=-0.78) USER MOD Single : A 37 TYR OH : rot -90:sc= -0.563 USER MOD Single : A 52 THR OG1 : rot -160:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.16) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -131:sc= -0.568 (180deg=-0.801) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.548 -7.065 -7.665 1.00 42.41 N ATOM 351 CA TYR A 25 66.034 -8.334 -8.143 1.00 12.14 C ATOM 352 C TYR A 25 65.697 -8.235 -9.621 1.00 32.30 C ATOM 353 O TYR A 25 65.494 -7.139 -10.143 1.00 32.03 O ATOM 354 CB TYR A 25 64.798 -8.747 -7.342 1.00 42.40 C ATOM 355 CG TYR A 25 65.107 -9.228 -5.940 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.408 -10.563 -5.697 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.086 -8.354 -4.860 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.683 -11.011 -4.420 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.363 -8.796 -3.580 1.00 35.34 C ATOM 360 CZ TYR A 25 65.659 -10.125 -3.365 1.00 72.10 C ATOM 361 OH TYR A 25 65.927 -10.570 -2.090 1.00 54.31 O ATOM 0 HA TYR A 25 66.802 -9.096 -8.007 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.116 -7.899 -7.282 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.276 -9.538 -7.880 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.427 -11.262 -6.520 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.850 -7.313 -5.023 1.00 5.11 H new ATOM 0 HE1 TYR A 25 65.916 -12.052 -4.249 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.348 -8.103 -2.752 1.00 35.34 H new ATOM 0 HH TYR A 25 65.870 -9.819 -1.463 1.00 54.31 H new ATOM 371 N LYS A 26 65.651 -9.369 -10.297 1.00 31.42 N ATOM 372 CA LYS A 26 65.327 -9.378 -11.709 1.00 10.43 C ATOM 373 C LYS A 26 63.880 -9.817 -11.920 1.00 64.22 C ATOM 374 O LYS A 26 63.280 -10.470 -11.059 1.00 33.23 O ATOM 375 CB LYS A 26 66.273 -10.309 -12.480 1.00 44.31 C ATOM 376 CG LYS A 26 67.755 -10.032 -12.248 1.00 40.14 C ATOM 377 CD LYS A 26 68.159 -8.633 -12.697 1.00 14.02 C ATOM 378 CE LYS A 26 69.651 -8.401 -12.495 1.00 14.41 C ATOM 379 NZ LYS A 26 70.069 -7.023 -12.872 1.00 2.34 N ATOM 0 H LYS A 26 65.833 -10.288 -9.894 1.00 31.42 H new ATOM 0 HA LYS A 26 65.450 -8.364 -12.090 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.060 -11.340 -12.197 1.00 44.31 H new ATOM 0 HB3 LYS A 26 66.062 -10.221 -13.546 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.983 -10.151 -11.189 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.349 -10.770 -12.787 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.906 -8.498 -13.749 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.593 -7.890 -12.135 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.906 -8.582 -11.451 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.212 -9.123 -13.089 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.092 -6.916 -12.716 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.852 -6.857 -13.875 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.556 -6.332 -12.288 1.00 2.34 H new ATOM 393 N LEU A 27 63.316 -9.422 -13.045 1.00 10.35 N ATOM 394 CA LEU A 27 61.997 -9.877 -13.448 1.00 63.42 C ATOM 395 C LEU A 27 62.129 -10.809 -14.637 1.00 12.52 C ATOM 396 O LEU A 27 62.987 -10.614 -15.497 1.00 23.11 O ATOM 397 CB LEU A 27 61.076 -8.705 -13.819 1.00 14.35 C ATOM 398 CG LEU A 27 60.545 -7.866 -12.653 1.00 74.43 C ATOM 399 CD1 LEU A 27 61.647 -7.025 -12.024 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.402 -6.982 -13.126 1.00 64.32 C ATOM 0 H LEU A 27 63.756 -8.779 -13.704 1.00 10.35 H new ATOM 0 HA LEU A 27 61.550 -10.399 -12.602 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.618 -8.045 -14.497 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.224 -9.101 -14.372 1.00 14.35 H new ATOM 0 HG LEU A 27 60.174 -8.547 -11.887 1.00 74.43 H new ATOM 0 HD11 LEU A 27 61.235 -6.442 -11.200 1.00 23.04 H new ATOM 0 HD12 LEU A 27 62.434 -7.679 -11.648 1.00 23.04 H new ATOM 0 HD13 LEU A 27 62.062 -6.351 -12.773 1.00 23.04 H new ATOM 0 HD21 LEU A 27 59.031 -6.389 -12.290 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.758 -6.317 -13.913 1.00 64.32 H new ATOM 0 HD23 LEU A 27 58.597 -7.605 -13.515 1.00 64.32 H new ATOM 412 N PHE A 28 61.298 -11.827 -14.679 1.00 1.00 N ATOM 413 CA PHE A 28 61.301 -12.760 -15.786 1.00 50.25 C ATOM 414 C PHE A 28 59.919 -12.841 -16.400 1.00 32.34 C ATOM 415 O PHE A 28 58.956 -13.244 -15.750 1.00 14.13 O ATOM 416 CB PHE A 28 61.794 -14.134 -15.332 1.00 13.43 C ATOM 417 CG PHE A 28 63.270 -14.153 -15.051 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.762 -13.751 -13.819 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.167 -14.559 -16.026 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.120 -13.757 -13.567 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.527 -14.567 -15.776 1.00 45.12 C ATOM 422 CZ PHE A 28 66.003 -14.164 -14.546 1.00 30.44 C ATOM 0 H PHE A 28 60.608 -12.031 -13.956 1.00 1.00 H new ATOM 0 HA PHE A 28 61.991 -12.402 -16.550 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.253 -14.432 -14.434 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.565 -14.871 -16.102 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.077 -13.430 -13.049 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.800 -14.873 -16.992 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.491 -13.443 -12.603 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.216 -14.889 -16.543 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.065 -14.167 -14.349 1.00 30.44 H new ATOM 432 N ARG A 29 59.826 -12.425 -17.649 1.00 72.21 N ATOM 433 CA ARG A 29 58.550 -12.348 -18.336 1.00 15.21 C ATOM 434 C ARG A 29 58.419 -13.461 -19.365 1.00 74.30 C ATOM 435 O ARG A 29 59.268 -13.613 -20.237 1.00 12.12 O ATOM 436 CB ARG A 29 58.408 -10.979 -19.002 1.00 53.45 C ATOM 437 CG ARG A 29 57.156 -10.824 -19.844 1.00 41.44 C ATOM 438 CD ARG A 29 57.017 -9.404 -20.369 1.00 1.41 C ATOM 439 NE ARG A 29 58.213 -8.966 -21.087 1.00 42.11 N ATOM 440 CZ ARG A 29 58.779 -7.766 -20.937 1.00 34.34 C ATOM 441 NH1 ARG A 29 58.305 -6.902 -20.047 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.846 -7.445 -21.654 1.00 21.35 N ATOM 0 H ARG A 29 60.625 -12.133 -18.212 1.00 72.21 H new ATOM 0 HA ARG A 29 57.750 -12.475 -17.607 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.410 -10.210 -18.230 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.280 -10.801 -19.632 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.189 -11.522 -20.681 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.280 -11.081 -19.248 1.00 41.44 H new ATOM 0 HD2 ARG A 29 56.154 -9.346 -21.032 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.825 -8.727 -19.537 1.00 1.41 H new ATOM 0 HE ARG A 29 58.642 -9.618 -21.744 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.502 -7.153 -19.471 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.744 -5.988 -19.940 1.00 14.43 H new ATOM 0 HH21 ARG A 29 60.234 -8.114 -22.319 1.00 21.35 H new ATOM 0 HH22 ARG A 29 60.280 -6.529 -21.541 1.00 21.35 H new ATOM 456 N CYS A 30 57.358 -14.242 -19.242 1.00 53.14 N ATOM 457 CA CYS A 30 57.091 -15.324 -20.177 1.00 13.35 C ATOM 458 C CYS A 30 56.761 -14.755 -21.553 1.00 23.11 C ATOM 459 O CYS A 30 55.882 -13.909 -21.688 1.00 13.32 O ATOM 460 CB CYS A 30 55.929 -16.184 -19.672 1.00 24.13 C ATOM 461 SG CYS A 30 55.634 -17.680 -20.646 1.00 1.33 S ATOM 0 H CYS A 30 56.664 -14.146 -18.500 1.00 53.14 H new ATOM 0 HA CYS A 30 57.981 -15.948 -20.256 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.126 -16.470 -18.639 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.021 -15.581 -19.669 1.00 24.13 H new ATOM 0 HG CYS A 30 54.635 -18.338 -20.138 1.00 1.33 H new ATOM 466 N ILE A 31 57.469 -15.220 -22.570 1.00 13.20 N ATOM 467 CA ILE A 31 57.276 -14.728 -23.928 1.00 62.43 C ATOM 468 C ILE A 31 56.086 -15.413 -24.591 1.00 64.12 C ATOM 469 O ILE A 31 55.623 -14.990 -25.648 1.00 21.10 O ATOM 470 CB ILE A 31 58.540 -14.936 -24.791 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.893 -16.424 -24.878 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.705 -14.135 -24.219 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.105 -16.717 -25.735 1.00 74.30 C ATOM 0 H ILE A 31 58.186 -15.940 -22.482 1.00 13.20 H new ATOM 0 HA ILE A 31 57.078 -13.658 -23.856 1.00 62.43 H new ATOM 0 HB ILE A 31 58.337 -14.577 -25.800 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.071 -16.805 -23.872 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.037 -16.968 -25.278 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.590 -14.290 -24.836 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.449 -13.076 -24.211 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.910 -14.467 -23.201 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.291 -17.791 -25.747 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.924 -16.368 -26.752 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.974 -16.203 -25.324 1.00 74.30 H new ATOM 485 N GLN A 32 55.587 -16.468 -23.953 1.00 51.33 N ATOM 486 CA GLN A 32 54.453 -17.219 -24.479 1.00 23.44 C ATOM 487 C GLN A 32 53.145 -16.467 -24.250 1.00 13.04 C ATOM 488 O GLN A 32 52.146 -16.723 -24.922 1.00 35.13 O ATOM 489 CB GLN A 32 54.366 -18.602 -23.824 1.00 55.24 C ATOM 490 CG GLN A 32 55.538 -19.521 -24.140 1.00 33.15 C ATOM 491 CD GLN A 32 55.665 -19.832 -25.620 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.681 -19.820 -26.358 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.873 -20.150 -26.056 1.00 22.30 N ATOM 0 H GLN A 32 55.952 -16.822 -23.069 1.00 51.33 H new ATOM 0 HA GLN A 32 54.609 -17.340 -25.551 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.300 -18.476 -22.743 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.444 -19.086 -24.145 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.461 -19.057 -23.791 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.421 -20.453 -23.587 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.664 -20.148 -25.412 1.00 22.30 H new ATOM 0 HE22 GLN A 32 57.013 -20.397 -27.036 1.00 22.30 H new ATOM 502 N CYS A 33 53.159 -15.533 -23.305 1.00 2.20 N ATOM 503 CA CYS A 33 51.951 -14.798 -22.957 1.00 22.24 C ATOM 504 C CYS A 33 52.272 -13.386 -22.467 1.00 72.42 C ATOM 505 O CYS A 33 51.757 -12.405 -22.999 1.00 22.31 O ATOM 506 CB CYS A 33 51.151 -15.563 -21.897 1.00 41.11 C ATOM 507 SG CYS A 33 52.097 -16.009 -20.421 1.00 25.30 S ATOM 0 H CYS A 33 53.987 -15.269 -22.771 1.00 2.20 H new ATOM 0 HA CYS A 33 51.347 -14.704 -23.859 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.297 -14.956 -21.596 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.753 -16.473 -22.347 1.00 41.11 H new ATOM 0 HG CYS A 33 51.295 -16.503 -19.525 1.00 25.30 H new ATOM 512 N GLY A 34 53.124 -13.285 -21.458 1.00 75.22 N ATOM 513 CA GLY A 34 53.481 -11.984 -20.926 1.00 61.15 C ATOM 514 C GLY A 34 53.462 -11.937 -19.413 1.00 41.20 C ATOM 515 O GLY A 34 53.496 -10.857 -18.826 1.00 65.41 O ATOM 0 H GLY A 34 53.574 -14.077 -20.999 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.476 -11.714 -21.280 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.790 -11.236 -21.316 1.00 61.15 H new ATOM 519 N PHE A 35 53.398 -13.102 -18.777 1.00 44.34 N ATOM 520 CA PHE A 35 53.446 -13.183 -17.321 1.00 63.14 C ATOM 521 C PHE A 35 54.796 -12.688 -16.811 1.00 62.11 C ATOM 522 O PHE A 35 55.838 -13.267 -17.127 1.00 22.11 O ATOM 523 CB PHE A 35 53.206 -14.625 -16.867 1.00 51.10 C ATOM 524 CG PHE A 35 53.258 -14.819 -15.375 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.159 -14.524 -14.585 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.405 -15.306 -14.765 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.202 -14.711 -13.215 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.455 -15.492 -13.398 1.00 63.43 C ATOM 529 CZ PHE A 35 53.353 -15.195 -12.621 1.00 22.21 C ATOM 0 H PHE A 35 53.313 -14.003 -19.247 1.00 44.34 H new ATOM 0 HA PHE A 35 52.662 -12.549 -16.907 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.232 -14.951 -17.231 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.952 -15.269 -17.332 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.258 -14.144 -15.044 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.270 -15.543 -15.367 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.338 -14.479 -12.610 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.356 -15.870 -12.937 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.390 -15.340 -11.551 1.00 22.21 H new ATOM 539 N GLU A 36 54.772 -11.607 -16.044 1.00 21.30 N ATOM 540 CA GLU A 36 55.983 -11.015 -15.521 1.00 35.33 C ATOM 541 C GLU A 36 56.194 -11.418 -14.071 1.00 44.03 C ATOM 542 O GLU A 36 55.420 -11.051 -13.185 1.00 52.25 O ATOM 543 CB GLU A 36 55.914 -9.498 -15.664 1.00 30.54 C ATOM 544 CG GLU A 36 55.974 -9.051 -17.113 1.00 13.22 C ATOM 545 CD GLU A 36 55.716 -7.572 -17.308 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.592 -7.113 -17.024 1.00 54.43 O ATOM 547 OE2 GLU A 36 56.632 -6.860 -17.778 1.00 35.32 O ATOM 0 H GLU A 36 53.917 -11.123 -15.772 1.00 21.30 H new ATOM 0 HA GLU A 36 56.836 -11.382 -16.093 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.991 -9.135 -15.212 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.738 -9.046 -15.112 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.956 -9.295 -17.518 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.242 -9.617 -17.689 1.00 13.22 H new ATOM 554 N TYR A 37 57.240 -12.192 -13.847 1.00 71.04 N ATOM 555 CA TYR A 37 57.573 -12.678 -12.517 1.00 2.31 C ATOM 556 C TYR A 37 58.686 -11.845 -11.890 1.00 2.10 C ATOM 557 O TYR A 37 59.753 -11.682 -12.475 1.00 33.24 O ATOM 558 CB TYR A 37 57.999 -14.150 -12.587 1.00 64.22 C ATOM 559 CG TYR A 37 58.703 -14.647 -11.339 1.00 22.51 C ATOM 560 CD1 TYR A 37 57.986 -15.012 -10.207 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.091 -14.738 -11.293 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.632 -15.457 -9.067 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.740 -15.178 -10.157 1.00 42.11 C ATOM 564 CZ TYR A 37 60.009 -15.536 -9.048 1.00 3.33 C ATOM 565 OH TYR A 37 60.659 -15.973 -7.916 1.00 35.44 O ATOM 0 H TYR A 37 57.881 -12.501 -14.577 1.00 71.04 H new ATOM 0 HA TYR A 37 56.685 -12.588 -11.891 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.117 -14.765 -12.764 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.659 -14.286 -13.443 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.908 -14.948 -10.217 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.670 -14.460 -12.161 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.060 -15.741 -8.196 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.818 -15.241 -10.139 1.00 42.11 H new ATOM 0 HH TYR A 37 60.860 -15.207 -7.338 1.00 35.44 H new ATOM 575 N ASP A 38 58.427 -11.321 -10.703 1.00 70.50 N ATOM 576 CA ASP A 38 59.439 -10.596 -9.944 1.00 10.30 C ATOM 577 C ASP A 38 60.135 -11.547 -8.980 1.00 4.53 C ATOM 578 O ASP A 38 59.463 -12.256 -8.226 1.00 73.13 O ATOM 579 CB ASP A 38 58.807 -9.472 -9.109 1.00 64.12 C ATOM 580 CG ASP A 38 57.809 -8.623 -9.867 1.00 45.13 C ATOM 581 OD1 ASP A 38 56.722 -9.139 -10.203 1.00 30.54 O ATOM 582 OD2 ASP A 38 58.096 -7.434 -10.102 1.00 51.42 O ATOM 0 H ASP A 38 57.520 -11.384 -10.240 1.00 70.50 H new ATOM 0 HA ASP A 38 60.145 -10.171 -10.658 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.310 -9.912 -8.244 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.600 -8.828 -8.728 1.00 64.12 H new ATOM 587 N GLU A 39 61.468 -11.567 -8.978 1.00 21.24 N ATOM 588 CA GLU A 39 62.205 -12.331 -7.965 1.00 73.35 C ATOM 589 C GLU A 39 61.916 -11.769 -6.572 1.00 61.05 C ATOM 590 O GLU A 39 62.041 -12.465 -5.565 1.00 14.23 O ATOM 591 CB GLU A 39 63.714 -12.295 -8.222 1.00 3.15 C ATOM 592 CG GLU A 39 64.168 -13.045 -9.464 1.00 2.32 C ATOM 593 CD GLU A 39 65.679 -13.045 -9.601 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.289 -11.956 -9.513 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.270 -14.135 -9.767 1.00 42.02 O ATOM 0 H GLU A 39 62.053 -11.073 -9.652 1.00 21.24 H new ATOM 0 HA GLU A 39 61.871 -13.367 -8.025 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.029 -11.255 -8.308 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.226 -12.713 -7.355 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.807 -14.073 -9.420 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.723 -12.588 -10.348 1.00 2.32 H new ATOM 602 N ALA A 40 61.520 -10.502 -6.530 1.00 41.21 N ATOM 603 CA ALA A 40 61.227 -9.827 -5.272 1.00 41.44 C ATOM 604 C ALA A 40 59.790 -10.076 -4.820 1.00 73.14 C ATOM 605 O ALA A 40 59.409 -9.701 -3.716 1.00 63.31 O ATOM 606 CB ALA A 40 61.478 -8.332 -5.407 1.00 64.54 C ATOM 0 H ALA A 40 61.394 -9.919 -7.358 1.00 41.21 H new ATOM 0 HA ALA A 40 61.892 -10.239 -4.513 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.256 -7.839 -4.461 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.522 -8.161 -5.669 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.836 -7.924 -6.188 1.00 64.54 H new ATOM 612 N LEU A 41 58.999 -10.705 -5.681 1.00 35.01 N ATOM 613 CA LEU A 41 57.600 -10.977 -5.370 1.00 43.03 C ATOM 614 C LEU A 41 57.425 -12.456 -5.037 1.00 41.24 C ATOM 615 O LEU A 41 56.820 -12.808 -4.025 1.00 5.12 O ATOM 616 CB LEU A 41 56.706 -10.572 -6.558 1.00 54.42 C ATOM 617 CG LEU A 41 55.212 -10.350 -6.255 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.490 -11.664 -5.991 1.00 54.05 C ATOM 619 CD2 LEU A 41 55.043 -9.402 -5.077 1.00 50.10 C ATOM 0 H LEU A 41 59.301 -11.036 -6.598 1.00 35.01 H new ATOM 0 HA LEU A 41 57.301 -10.388 -4.503 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.106 -9.654 -6.988 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.787 -11.344 -7.324 1.00 54.42 H new ATOM 0 HG LEU A 41 54.760 -9.898 -7.138 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.439 -11.466 -5.781 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.570 -12.306 -6.868 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.943 -12.162 -5.134 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.982 -9.256 -4.877 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.524 -9.827 -4.196 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.503 -8.442 -5.313 1.00 50.10 H new ATOM 631 N GLY A 42 57.972 -13.311 -5.890 1.00 60.35 N ATOM 632 CA GLY A 42 57.853 -14.740 -5.691 1.00 65.42 C ATOM 633 C GLY A 42 56.529 -15.278 -6.194 1.00 1.31 C ATOM 634 O GLY A 42 55.860 -14.638 -7.005 1.00 22.32 O ATOM 0 H GLY A 42 58.498 -13.038 -6.720 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.669 -15.246 -6.207 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.957 -14.968 -4.630 1.00 65.42 H new ATOM 638 N TRP A 43 56.158 -16.453 -5.710 1.00 34.01 N ATOM 639 CA TRP A 43 54.892 -17.074 -6.073 1.00 72.13 C ATOM 640 C TRP A 43 54.524 -18.113 -5.017 1.00 1.53 C ATOM 641 O TRP A 43 54.740 -19.315 -5.204 1.00 0.54 O ATOM 642 CB TRP A 43 54.980 -17.717 -7.464 1.00 22.21 C ATOM 643 CG TRP A 43 53.642 -18.020 -8.076 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.070 -19.248 -8.256 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.705 -17.065 -8.593 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.837 -19.114 -8.846 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.591 -17.786 -9.066 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.703 -15.674 -8.702 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.487 -17.159 -9.632 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.606 -15.051 -9.268 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.512 -15.794 -9.728 1.00 72.01 C ATOM 0 H TRP A 43 56.721 -17.001 -5.059 1.00 34.01 H new ATOM 0 HA TRP A 43 54.115 -16.311 -6.113 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.531 -17.051 -8.128 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.554 -18.641 -7.392 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.522 -20.188 -7.975 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.207 -19.880 -9.082 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.544 -15.094 -8.350 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.640 -17.729 -9.984 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.593 -13.975 -9.357 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.670 -15.279 -10.168 1.00 72.01 H new ATOM 662 N PRO A 44 53.990 -17.651 -3.872 1.00 45.41 N ATOM 663 CA PRO A 44 53.672 -18.514 -2.727 1.00 41.22 C ATOM 664 C PRO A 44 52.678 -19.608 -3.090 1.00 43.31 C ATOM 665 O PRO A 44 52.638 -20.665 -2.458 1.00 52.04 O ATOM 666 CB PRO A 44 53.057 -17.563 -1.699 1.00 1.41 C ATOM 667 CG PRO A 44 53.464 -16.194 -2.123 1.00 43.31 C ATOM 668 CD PRO A 44 53.650 -16.243 -3.612 1.00 12.02 C ATOM 0 HA PRO A 44 54.558 -19.033 -2.361 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.972 -17.659 -1.676 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.418 -17.785 -0.695 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.703 -15.462 -1.852 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.387 -15.893 -1.627 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.744 -15.945 -4.139 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.444 -15.572 -3.939 1.00 12.02 H new ATOM 676 N GLU A 45 51.874 -19.334 -4.105 1.00 52.10 N ATOM 677 CA GLU A 45 50.927 -20.304 -4.636 1.00 33.11 C ATOM 678 C GLU A 45 51.625 -21.613 -5.009 1.00 32.45 C ATOM 679 O GLU A 45 51.075 -22.696 -4.810 1.00 53.21 O ATOM 680 CB GLU A 45 50.192 -19.734 -5.858 1.00 63.41 C ATOM 681 CG GLU A 45 49.258 -18.573 -5.538 1.00 44.43 C ATOM 682 CD GLU A 45 49.946 -17.218 -5.505 1.00 32.53 C ATOM 683 OE1 GLU A 45 50.814 -17.001 -4.637 1.00 63.33 O ATOM 684 OE2 GLU A 45 49.592 -16.347 -6.327 1.00 61.31 O ATOM 0 H GLU A 45 51.859 -18.434 -4.584 1.00 52.10 H new ATOM 0 HA GLU A 45 50.198 -20.515 -3.853 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.929 -19.402 -6.589 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.615 -20.532 -6.326 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.460 -18.546 -6.281 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.788 -18.754 -4.571 1.00 44.43 H new ATOM 691 N ASP A 46 52.840 -21.517 -5.542 1.00 54.25 N ATOM 692 CA ASP A 46 53.611 -22.713 -5.887 1.00 30.40 C ATOM 693 C ASP A 46 54.614 -23.040 -4.786 1.00 61.32 C ATOM 694 O ASP A 46 55.033 -24.186 -4.629 1.00 73.23 O ATOM 695 CB ASP A 46 54.351 -22.520 -7.216 1.00 23.20 C ATOM 696 CG ASP A 46 55.149 -23.751 -7.617 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.569 -24.667 -8.236 1.00 44.22 O ATOM 698 OD2 ASP A 46 56.358 -23.812 -7.309 1.00 44.11 O ATOM 0 H ASP A 46 53.310 -20.635 -5.744 1.00 54.25 H new ATOM 0 HA ASP A 46 52.912 -23.543 -5.991 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.631 -22.286 -8.000 1.00 23.20 H new ATOM 0 HB3 ASP A 46 55.022 -21.665 -7.135 1.00 23.20 H new ATOM 703 N GLY A 47 54.963 -22.033 -3.997 1.00 73.12 N ATOM 704 CA GLY A 47 55.938 -22.221 -2.942 1.00 12.11 C ATOM 705 C GLY A 47 57.144 -21.327 -3.118 1.00 64.11 C ATOM 706 O GLY A 47 58.062 -21.337 -2.300 1.00 22.42 O ATOM 0 H GLY A 47 54.587 -21.087 -4.069 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.473 -22.016 -1.978 1.00 12.11 H new ATOM 0 HA3 GLY A 47 56.258 -23.263 -2.926 1.00 12.11 H new ATOM 710 N ILE A 48 57.142 -20.546 -4.187 1.00 0.01 N ATOM 711 CA ILE A 48 58.229 -19.618 -4.453 1.00 25.24 C ATOM 712 C ILE A 48 58.122 -18.428 -3.507 1.00 62.01 C ATOM 713 O ILE A 48 57.092 -17.758 -3.458 1.00 62.43 O ATOM 714 CB ILE A 48 58.201 -19.116 -5.911 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.074 -20.287 -6.893 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.449 -18.302 -6.214 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.209 -21.285 -6.814 1.00 43.03 C ATOM 0 H ILE A 48 56.398 -20.537 -4.885 1.00 0.01 H new ATOM 0 HA ILE A 48 59.170 -20.145 -4.294 1.00 25.24 H new ATOM 0 HB ILE A 48 57.327 -18.476 -6.033 1.00 14.52 H new ATOM 0 HG12 ILE A 48 57.134 -20.806 -6.704 1.00 71.30 H new ATOM 0 HG13 ILE A 48 58.021 -19.892 -7.908 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.415 -17.955 -7.247 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.495 -17.444 -5.544 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.333 -18.923 -6.069 1.00 22.34 H new ATOM 0 HD11 ILE A 48 59.044 -22.082 -7.540 1.00 43.03 H new ATOM 0 HD12 ILE A 48 60.151 -20.783 -7.034 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.250 -21.710 -5.811 1.00 43.03 H new ATOM 729 N ALA A 49 59.176 -18.166 -2.760 1.00 31.20 N ATOM 730 CA ALA A 49 59.152 -17.105 -1.766 1.00 5.11 C ATOM 731 C ALA A 49 59.714 -15.806 -2.329 1.00 32.55 C ATOM 732 O ALA A 49 60.549 -15.821 -3.235 1.00 44.13 O ATOM 733 CB ALA A 49 59.935 -17.527 -0.536 1.00 50.42 C ATOM 0 H ALA A 49 60.060 -18.671 -2.820 1.00 31.20 H new ATOM 0 HA ALA A 49 58.114 -16.927 -1.486 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.911 -16.726 0.203 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.488 -18.426 -0.111 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.968 -17.733 -0.815 1.00 50.42 H new ATOM 739 N ALA A 50 59.250 -14.684 -1.796 1.00 43.33 N ATOM 740 CA ALA A 50 59.771 -13.387 -2.194 1.00 31.42 C ATOM 741 C ALA A 50 61.250 -13.283 -1.834 1.00 65.35 C ATOM 742 O ALA A 50 61.624 -13.375 -0.664 1.00 33.24 O ATOM 743 CB ALA A 50 58.979 -12.270 -1.536 1.00 12.13 C ATOM 0 H ALA A 50 58.516 -14.647 -1.089 1.00 43.33 H new ATOM 0 HA ALA A 50 59.668 -13.285 -3.274 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.383 -11.306 -1.846 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.934 -12.339 -1.837 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.051 -12.362 -0.452 1.00 12.13 H new ATOM 749 N GLY A 51 62.088 -13.101 -2.841 1.00 23.11 N ATOM 750 CA GLY A 51 63.520 -13.069 -2.621 1.00 51.21 C ATOM 751 C GLY A 51 64.209 -14.309 -3.155 1.00 12.22 C ATOM 752 O GLY A 51 65.439 -14.377 -3.197 1.00 44.15 O ATOM 0 H GLY A 51 61.802 -12.974 -3.812 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.940 -12.186 -3.103 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.720 -12.975 -1.554 1.00 51.21 H new ATOM 756 N THR A 52 63.414 -15.288 -3.565 1.00 34.23 N ATOM 757 CA THR A 52 63.942 -16.486 -4.197 1.00 72.11 C ATOM 758 C THR A 52 64.376 -16.166 -5.626 1.00 32.45 C ATOM 759 O THR A 52 63.613 -15.589 -6.404 1.00 11.25 O ATOM 760 CB THR A 52 62.893 -17.621 -4.189 1.00 4.53 C ATOM 761 OG1 THR A 52 62.577 -17.976 -2.835 1.00 61.21 O ATOM 762 CG2 THR A 52 63.401 -18.849 -4.931 1.00 63.31 C ATOM 0 H THR A 52 62.399 -15.274 -3.470 1.00 34.23 H new ATOM 0 HA THR A 52 64.808 -16.828 -3.630 1.00 72.11 H new ATOM 0 HB THR A 52 61.999 -17.260 -4.698 1.00 4.53 H new ATOM 0 HG1 THR A 52 62.178 -18.871 -2.816 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.640 -19.629 -4.907 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.618 -18.585 -5.966 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.310 -19.214 -4.452 1.00 63.31 H new ATOM 770 N ARG A 53 65.610 -16.527 -5.956 1.00 11.11 N ATOM 771 CA ARG A 53 66.184 -16.195 -7.250 1.00 1.42 C ATOM 772 C ARG A 53 65.774 -17.209 -8.301 1.00 24.11 C ATOM 773 O ARG A 53 65.358 -18.323 -7.979 1.00 33.21 O ATOM 774 CB ARG A 53 67.710 -16.145 -7.162 1.00 42.33 C ATOM 775 CG ARG A 53 68.244 -15.017 -6.298 1.00 70.11 C ATOM 776 CD ARG A 53 67.937 -13.661 -6.907 1.00 62.02 C ATOM 777 NE ARG A 53 68.568 -12.575 -6.162 1.00 73.44 N ATOM 778 CZ ARG A 53 68.704 -11.331 -6.620 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.224 -10.989 -7.810 1.00 5.03 N ATOM 780 NH2 ARG A 53 69.316 -10.421 -5.873 1.00 20.33 N ATOM 0 H ARG A 53 66.233 -17.051 -5.342 1.00 11.11 H new ATOM 0 HA ARG A 53 65.806 -15.214 -7.539 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.072 -17.094 -6.766 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.118 -16.043 -8.168 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.804 -15.079 -5.303 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.322 -15.128 -6.177 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.282 -13.641 -7.941 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.858 -13.508 -6.928 1.00 62.02 H new ATOM 0 HE ARG A 53 68.928 -12.782 -5.230 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.745 -11.682 -8.385 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.335 -10.033 -8.149 1.00 5.03 H new ATOM 0 HH21 ARG A 53 69.679 -10.676 -4.954 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.424 -9.467 -6.217 1.00 20.33 H new ATOM 794 N TRP A 54 65.919 -16.818 -9.555 1.00 75.02 N ATOM 795 CA TRP A 54 65.618 -17.682 -10.691 1.00 4.51 C ATOM 796 C TRP A 54 66.433 -18.975 -10.625 1.00 51.50 C ATOM 797 O TRP A 54 65.994 -20.028 -11.091 1.00 53.22 O ATOM 798 CB TRP A 54 65.929 -16.928 -11.983 1.00 14.02 C ATOM 799 CG TRP A 54 65.241 -17.477 -13.194 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.827 -18.045 -14.287 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.833 -17.496 -13.435 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.868 -18.411 -15.196 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.635 -18.087 -14.694 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.718 -17.071 -12.707 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.371 -18.263 -15.242 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.463 -17.248 -13.253 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.299 -17.839 -14.511 1.00 44.10 C ATOM 0 H TRP A 54 66.250 -15.890 -9.819 1.00 75.02 H new ATOM 0 HA TRP A 54 64.562 -17.952 -10.665 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.643 -15.883 -11.859 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.006 -16.946 -12.151 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.890 -18.186 -14.417 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.044 -18.852 -16.099 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.836 -16.613 -11.736 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.241 -18.719 -16.212 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.593 -16.925 -12.700 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.304 -17.962 -14.912 1.00 44.10 H new ATOM 818 N ASP A 55 67.619 -18.885 -10.026 1.00 34.41 N ATOM 819 CA ASP A 55 68.510 -20.036 -9.891 1.00 13.53 C ATOM 820 C ASP A 55 67.998 -21.009 -8.840 1.00 43.20 C ATOM 821 O ASP A 55 68.323 -22.195 -8.868 1.00 13.14 O ATOM 822 CB ASP A 55 69.922 -19.589 -9.501 1.00 34.21 C ATOM 823 CG ASP A 55 70.557 -18.671 -10.519 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.105 -19.176 -11.522 1.00 31.22 O ATOM 825 OD2 ASP A 55 70.532 -17.442 -10.311 1.00 31.21 O ATOM 0 H ASP A 55 67.987 -18.022 -9.625 1.00 34.41 H new ATOM 0 HA ASP A 55 68.537 -20.535 -10.860 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.882 -19.081 -8.538 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.552 -20.469 -9.371 1.00 34.21 H new ATOM 830 N ASP A 56 67.204 -20.500 -7.907 1.00 74.00 N ATOM 831 CA ASP A 56 66.693 -21.314 -6.808 1.00 13.50 C ATOM 832 C ASP A 56 65.396 -21.994 -7.224 1.00 35.01 C ATOM 833 O ASP A 56 64.853 -22.830 -6.501 1.00 73.34 O ATOM 834 CB ASP A 56 66.446 -20.459 -5.558 1.00 10.43 C ATOM 835 CG ASP A 56 67.660 -19.656 -5.128 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.745 -20.251 -4.946 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.536 -18.422 -4.977 1.00 45.42 O ATOM 0 H ASP A 56 66.899 -19.527 -7.888 1.00 74.00 H new ATOM 0 HA ASP A 56 67.442 -22.069 -6.569 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.618 -19.777 -5.751 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.140 -21.108 -4.738 1.00 10.43 H new ATOM 842 N ILE A 57 64.906 -21.624 -8.396 1.00 54.25 N ATOM 843 CA ILE A 57 63.669 -22.173 -8.925 1.00 24.31 C ATOM 844 C ILE A 57 63.961 -23.320 -9.891 1.00 43.24 C ATOM 845 O ILE A 57 64.726 -23.155 -10.843 1.00 14.33 O ATOM 846 CB ILE A 57 62.856 -21.087 -9.660 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.559 -19.914 -8.721 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.565 -21.668 -10.209 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.856 -18.757 -9.400 1.00 14.05 C ATOM 0 H ILE A 57 65.352 -20.938 -9.005 1.00 54.25 H new ATOM 0 HA ILE A 57 63.086 -22.547 -8.083 1.00 24.31 H new ATOM 0 HB ILE A 57 63.450 -20.719 -10.496 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.943 -20.268 -7.894 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.495 -19.558 -8.291 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.005 -20.888 -10.724 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.796 -22.471 -10.909 1.00 13.22 H new ATOM 0 HG23 ILE A 57 60.966 -22.063 -9.389 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.678 -17.963 -8.675 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.480 -18.376 -10.209 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.904 -19.098 -9.806 1.00 14.05 H new ATOM 861 N PRO A 58 63.368 -24.500 -9.648 1.00 63.44 N ATOM 862 CA PRO A 58 63.542 -25.671 -10.513 1.00 3.44 C ATOM 863 C PRO A 58 63.042 -25.421 -11.935 1.00 51.00 C ATOM 864 O PRO A 58 62.080 -24.680 -12.145 1.00 45.01 O ATOM 865 CB PRO A 58 62.700 -26.757 -9.831 1.00 24.00 C ATOM 866 CG PRO A 58 61.759 -26.023 -8.943 1.00 73.11 C ATOM 867 CD PRO A 58 62.489 -24.789 -8.505 1.00 50.42 C ATOM 0 HA PRO A 58 64.593 -25.940 -10.623 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.162 -27.356 -10.565 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.328 -27.441 -9.260 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.841 -25.767 -9.472 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.473 -26.633 -8.086 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.804 -23.965 -8.304 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.058 -24.960 -7.591 1.00 50.42 H new ATOM 875 N ASP A 59 63.684 -26.060 -12.903 1.00 25.01 N ATOM 876 CA ASP A 59 63.356 -25.862 -14.317 1.00 41.44 C ATOM 877 C ASP A 59 61.998 -26.477 -14.650 1.00 34.41 C ATOM 878 O ASP A 59 61.412 -26.203 -15.698 1.00 72.22 O ATOM 879 CB ASP A 59 64.450 -26.467 -15.202 1.00 1.55 C ATOM 880 CG ASP A 59 64.347 -26.031 -16.653 1.00 42.44 C ATOM 881 OD1 ASP A 59 64.453 -24.815 -16.919 1.00 11.32 O ATOM 882 OD2 ASP A 59 64.203 -26.905 -17.535 1.00 4.21 O ATOM 0 H ASP A 59 64.440 -26.725 -12.738 1.00 25.01 H new ATOM 0 HA ASP A 59 63.300 -24.791 -14.512 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.426 -26.181 -14.811 1.00 1.55 H new ATOM 0 HB3 ASP A 59 64.392 -27.554 -15.150 1.00 1.55 H new ATOM 887 N ASP A 60 61.502 -27.304 -13.738 1.00 32.43 N ATOM 888 CA ASP A 60 60.177 -27.897 -13.872 1.00 54.13 C ATOM 889 C ASP A 60 59.095 -26.877 -13.558 1.00 24.24 C ATOM 890 O ASP A 60 57.928 -27.077 -13.896 1.00 12.35 O ATOM 891 CB ASP A 60 60.022 -29.106 -12.950 1.00 23.23 C ATOM 892 CG ASP A 60 60.815 -30.303 -13.423 1.00 23.22 C ATOM 893 OD1 ASP A 60 62.028 -30.368 -13.138 1.00 70.35 O ATOM 894 OD2 ASP A 60 60.232 -31.183 -14.087 1.00 42.45 O ATOM 0 H ASP A 60 62.001 -27.581 -12.892 1.00 32.43 H new ATOM 0 HA ASP A 60 60.068 -28.226 -14.905 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.345 -28.835 -11.945 1.00 23.23 H new ATOM 0 HB3 ASP A 60 58.968 -29.376 -12.885 1.00 23.23 H new ATOM 899 N TRP A 61 59.474 -25.786 -12.901 1.00 5.24 N ATOM 900 CA TRP A 61 58.526 -24.728 -12.602 1.00 42.43 C ATOM 901 C TRP A 61 58.194 -23.980 -13.878 1.00 33.21 C ATOM 902 O TRP A 61 59.040 -23.287 -14.446 1.00 22.24 O ATOM 903 CB TRP A 61 59.078 -23.764 -11.549 1.00 54.42 C ATOM 904 CG TRP A 61 58.125 -22.665 -11.182 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.056 -22.760 -10.340 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.153 -21.308 -11.641 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.421 -21.548 -10.242 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.073 -20.641 -11.032 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.985 -20.591 -12.505 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.806 -19.295 -11.260 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.717 -19.255 -12.730 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.637 -18.619 -12.111 1.00 25.01 C ATOM 0 H TRP A 61 60.423 -25.615 -12.569 1.00 5.24 H new ATOM 0 HA TRP A 61 57.621 -25.177 -12.192 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.333 -24.327 -10.651 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.002 -23.323 -11.922 1.00 54.42 H new ATOM 0 HD1 TRP A 61 56.753 -23.660 -9.825 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.597 -21.355 -9.673 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.822 -21.073 -12.988 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.973 -18.801 -10.782 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.353 -18.691 -13.396 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.455 -17.573 -12.309 1.00 25.01 H new ATOM 923 N SER A 62 56.979 -24.158 -14.346 1.00 54.20 N ATOM 924 CA SER A 62 56.535 -23.494 -15.543 1.00 3.30 C ATOM 925 C SER A 62 55.699 -22.280 -15.178 1.00 13.23 C ATOM 926 O SER A 62 55.290 -22.122 -14.027 1.00 63.43 O ATOM 927 CB SER A 62 55.724 -24.458 -16.405 1.00 63.43 C ATOM 928 OG SER A 62 56.383 -25.709 -16.511 1.00 64.32 O ATOM 0 H SER A 62 56.280 -24.761 -13.911 1.00 54.20 H new ATOM 0 HA SER A 62 57.404 -23.164 -16.113 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.734 -24.598 -15.970 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.579 -24.032 -17.398 1.00 63.43 H new ATOM 0 HG SER A 62 55.848 -26.315 -17.065 1.00 64.32 H new ATOM 934 N CYS A 63 55.466 -21.421 -16.158 1.00 24.15 N ATOM 935 CA CYS A 63 54.637 -20.243 -15.973 1.00 63.43 C ATOM 936 C CYS A 63 53.276 -20.636 -15.411 1.00 24.51 C ATOM 937 O CYS A 63 52.517 -21.355 -16.063 1.00 44.14 O ATOM 938 CB CYS A 63 54.476 -19.514 -17.309 1.00 63.12 C ATOM 939 SG CYS A 63 53.431 -18.046 -17.239 1.00 13.20 S ATOM 0 H CYS A 63 55.845 -21.521 -17.100 1.00 24.15 H new ATOM 0 HA CYS A 63 55.119 -19.574 -15.260 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.462 -19.225 -17.672 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.058 -20.207 -18.039 1.00 63.12 H new ATOM 0 HG CYS A 63 53.912 -17.212 -16.366 1.00 13.20 H new ATOM 944 N PRO A 64 52.955 -20.186 -14.189 1.00 12.23 N ATOM 945 CA PRO A 64 51.690 -20.517 -13.521 1.00 52.51 C ATOM 946 C PRO A 64 50.491 -19.867 -14.208 1.00 52.22 C ATOM 947 O PRO A 64 49.341 -20.150 -13.878 1.00 21.33 O ATOM 948 CB PRO A 64 51.870 -19.975 -12.095 1.00 2.43 C ATOM 949 CG PRO A 64 53.321 -19.652 -11.966 1.00 63.34 C ATOM 950 CD PRO A 64 53.800 -19.329 -13.351 1.00 75.23 C ATOM 0 HA PRO A 64 51.484 -21.587 -13.546 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.256 -19.089 -11.932 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.566 -20.714 -11.354 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.474 -18.808 -11.294 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.872 -20.495 -11.550 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.669 -18.273 -13.589 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.859 -19.556 -13.477 1.00 75.23 H new ATOM 958 N ASP A 65 50.779 -18.996 -15.165 1.00 62.43 N ATOM 959 CA ASP A 65 49.748 -18.368 -15.980 1.00 4.14 C ATOM 960 C ASP A 65 49.324 -19.301 -17.112 1.00 73.14 C ATOM 961 O ASP A 65 48.170 -19.284 -17.550 1.00 75.43 O ATOM 962 CB ASP A 65 50.267 -17.037 -16.537 1.00 75.11 C ATOM 963 CG ASP A 65 49.416 -16.487 -17.661 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.391 -15.829 -17.382 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.773 -16.705 -18.835 1.00 62.34 O ATOM 0 H ASP A 65 51.729 -18.706 -15.398 1.00 62.43 H new ATOM 0 HA ASP A 65 48.874 -18.170 -15.360 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.309 -16.305 -15.730 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.287 -17.174 -16.896 1.00 75.11 H new ATOM 970 N CYS A 66 50.251 -20.138 -17.567 1.00 24.23 N ATOM 971 CA CYS A 66 49.967 -21.074 -18.645 1.00 44.35 C ATOM 972 C CYS A 66 50.655 -22.421 -18.402 1.00 61.50 C ATOM 973 O CYS A 66 50.034 -23.358 -17.903 1.00 33.10 O ATOM 974 CB CYS A 66 50.386 -20.479 -19.996 1.00 11.53 C ATOM 975 SG CYS A 66 52.059 -19.789 -20.028 1.00 2.42 S ATOM 0 H CYS A 66 51.204 -20.186 -17.205 1.00 24.23 H new ATOM 0 HA CYS A 66 48.892 -21.252 -18.667 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.312 -21.254 -20.758 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.679 -19.696 -20.268 1.00 11.53 H new ATOM 0 HG CYS A 66 52.318 -19.225 -18.886 1.00 2.42 H new ATOM 980 N GLY A 67 51.938 -22.508 -18.730 1.00 11.35 N ATOM 981 CA GLY A 67 52.672 -23.745 -18.533 1.00 2.21 C ATOM 982 C GLY A 67 53.919 -23.818 -19.388 1.00 45.15 C ATOM 983 O GLY A 67 54.231 -24.861 -19.959 1.00 12.15 O ATOM 0 H GLY A 67 52.484 -21.744 -19.129 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.949 -23.837 -17.483 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.024 -24.590 -18.767 1.00 2.21 H new ATOM 987 N ALA A 68 54.632 -22.707 -19.475 1.00 3.21 N ATOM 988 CA ALA A 68 55.870 -22.651 -20.237 1.00 51.33 C ATOM 989 C ALA A 68 57.064 -22.677 -19.296 1.00 24.02 C ATOM 990 O ALA A 68 57.027 -22.057 -18.236 1.00 24.41 O ATOM 991 CB ALA A 68 55.893 -21.406 -21.106 1.00 22.41 C ATOM 0 H ALA A 68 54.374 -21.828 -19.026 1.00 3.21 H new ATOM 0 HA ALA A 68 55.928 -23.523 -20.888 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.824 -21.374 -21.672 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.050 -21.428 -21.796 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.822 -20.520 -20.475 1.00 22.41 H new ATOM 997 N ALA A 69 58.112 -23.396 -19.679 1.00 63.43 N ATOM 998 CA ALA A 69 59.282 -23.569 -18.822 1.00 14.25 C ATOM 999 C ALA A 69 60.048 -22.258 -18.649 1.00 45.14 C ATOM 1000 O ALA A 69 59.722 -21.251 -19.279 1.00 64.45 O ATOM 1001 CB ALA A 69 60.193 -24.646 -19.387 1.00 43.25 C ATOM 0 H ALA A 69 58.177 -23.870 -20.580 1.00 63.43 H new ATOM 0 HA ALA A 69 58.933 -23.881 -17.838 1.00 14.25 H new ATOM 0 HB1 ALA A 69 61.061 -24.765 -18.739 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.650 -25.589 -19.443 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.522 -24.357 -20.385 1.00 43.25 H new ATOM 1007 N LYS A 70 61.077 -22.284 -17.806 1.00 44.04 N ATOM 1008 CA LYS A 70 61.859 -21.087 -17.498 1.00 2.40 C ATOM 1009 C LYS A 70 62.521 -20.510 -18.748 1.00 33.52 C ATOM 1010 O LYS A 70 62.730 -19.300 -18.848 1.00 53.10 O ATOM 1011 CB LYS A 70 62.925 -21.395 -16.445 1.00 2.20 C ATOM 1012 CG LYS A 70 62.360 -21.814 -15.094 1.00 4.42 C ATOM 1013 CD LYS A 70 63.420 -21.753 -14.003 1.00 65.43 C ATOM 1014 CE LYS A 70 64.611 -22.645 -14.322 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.683 -22.532 -13.301 1.00 61.24 N ATOM 0 H LYS A 70 61.391 -23.125 -17.321 1.00 44.04 H new ATOM 0 HA LYS A 70 61.168 -20.342 -17.103 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.571 -22.189 -16.819 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.551 -20.513 -16.308 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.526 -21.164 -14.830 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.964 -22.827 -15.162 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.759 -20.724 -13.882 1.00 65.43 H new ATOM 0 HD3 LYS A 70 62.982 -22.058 -13.053 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.280 -23.682 -14.386 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.012 -22.377 -15.299 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.368 -23.304 -13.430 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 66.167 -21.618 -13.406 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.265 -22.596 -12.351 1.00 61.24 H new ATOM 1029 N SER A 71 62.835 -21.373 -19.702 1.00 24.44 N ATOM 1030 CA SER A 71 63.481 -20.951 -20.937 1.00 74.02 C ATOM 1031 C SER A 71 62.552 -20.051 -21.755 1.00 74.23 C ATOM 1032 O SER A 71 62.993 -19.319 -22.643 1.00 30.43 O ATOM 1033 CB SER A 71 63.887 -22.182 -21.751 1.00 35.23 C ATOM 1034 OG SER A 71 64.769 -21.837 -22.805 1.00 35.24 O ATOM 0 H SER A 71 62.652 -22.375 -19.645 1.00 24.44 H new ATOM 0 HA SER A 71 64.373 -20.376 -20.689 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.366 -22.911 -21.097 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.997 -22.659 -22.161 1.00 35.23 H new ATOM 0 HG SER A 71 65.012 -22.644 -23.306 1.00 35.24 H new ATOM 1040 N ASP A 72 61.264 -20.091 -21.432 1.00 22.41 N ATOM 1041 CA ASP A 72 60.271 -19.279 -22.126 1.00 53.55 C ATOM 1042 C ASP A 72 60.132 -17.912 -21.468 1.00 72.53 C ATOM 1043 O ASP A 72 59.258 -17.124 -21.828 1.00 51.33 O ATOM 1044 CB ASP A 72 58.909 -19.978 -22.145 1.00 31.01 C ATOM 1045 CG ASP A 72 58.909 -21.255 -22.959 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.186 -22.332 -22.389 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.621 -21.193 -24.172 1.00 14.24 O ATOM 0 H ASP A 72 60.882 -20.679 -20.691 1.00 22.41 H new ATOM 0 HA ASP A 72 60.615 -19.146 -23.152 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.610 -20.206 -21.122 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.162 -19.295 -22.551 1.00 31.01 H new ATOM 1052 N PHE A 73 60.984 -17.635 -20.493 1.00 54.42 N ATOM 1053 CA PHE A 73 60.987 -16.342 -19.825 1.00 32.03 C ATOM 1054 C PHE A 73 62.145 -15.486 -20.320 1.00 41.43 C ATOM 1055 O PHE A 73 63.172 -16.007 -20.751 1.00 33.41 O ATOM 1056 CB PHE A 73 61.082 -16.515 -18.305 1.00 12.00 C ATOM 1057 CG PHE A 73 59.838 -17.064 -17.666 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.556 -18.419 -17.711 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.953 -16.222 -17.012 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.414 -18.922 -17.118 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.812 -16.718 -16.417 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.541 -18.070 -16.469 1.00 32.20 C ATOM 0 H PHE A 73 61.684 -18.290 -20.146 1.00 54.42 H new ATOM 0 HA PHE A 73 60.049 -15.840 -20.062 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.916 -17.179 -18.078 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.312 -15.549 -17.855 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.236 -19.090 -18.215 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.160 -15.163 -16.968 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.204 -19.980 -17.162 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.132 -16.049 -15.911 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.649 -18.461 -16.003 1.00 32.20 H new ATOM 1072 N GLU A 74 61.957 -14.178 -20.276 1.00 11.30 N ATOM 1073 CA GLU A 74 63.003 -13.230 -20.624 1.00 71.52 C ATOM 1074 C GLU A 74 63.426 -12.457 -19.380 1.00 63.42 C ATOM 1075 O GLU A 74 62.621 -12.263 -18.468 1.00 24.10 O ATOM 1076 CB GLU A 74 62.503 -12.256 -21.697 1.00 55.11 C ATOM 1077 CG GLU A 74 61.329 -11.407 -21.239 1.00 15.31 C ATOM 1078 CD GLU A 74 60.889 -10.401 -22.274 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.646 -9.447 -22.547 1.00 22.12 O ATOM 1080 OE2 GLU A 74 59.772 -10.545 -22.814 1.00 33.13 O ATOM 0 H GLU A 74 61.077 -13.743 -19.999 1.00 11.30 H new ATOM 0 HA GLU A 74 63.859 -13.776 -21.020 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.322 -11.601 -21.993 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.210 -12.821 -22.582 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.490 -12.059 -20.994 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.603 -10.882 -20.324 1.00 15.31 H new ATOM 1087 N MET A 75 64.677 -12.015 -19.343 1.00 1.12 N ATOM 1088 CA MET A 75 65.188 -11.292 -18.187 1.00 0.12 C ATOM 1089 C MET A 75 64.976 -9.789 -18.332 1.00 41.40 C ATOM 1090 O MET A 75 65.536 -9.153 -19.226 1.00 64.03 O ATOM 1091 CB MET A 75 66.676 -11.581 -17.980 1.00 65.23 C ATOM 1092 CG MET A 75 67.255 -10.903 -16.747 1.00 22.24 C ATOM 1093 SD MET A 75 69.025 -11.189 -16.547 1.00 62.41 S ATOM 1094 CE MET A 75 69.060 -12.973 -16.358 1.00 41.21 C ATOM 0 H MET A 75 65.353 -12.144 -20.096 1.00 1.12 H new ATOM 0 HA MET A 75 64.631 -11.639 -17.317 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.822 -12.658 -17.896 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.229 -11.252 -18.860 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.071 -9.830 -16.810 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.732 -11.265 -15.862 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.664 -13.235 -15.489 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.045 -13.344 -16.219 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.493 -13.425 -17.251 1.00 41.21 H new ATOM 1104 N VAL A 76 64.154 -9.237 -17.458 1.00 52.24 N ATOM 1105 CA VAL A 76 63.935 -7.802 -17.392 1.00 50.44 C ATOM 1106 C VAL A 76 64.392 -7.296 -16.030 1.00 33.40 C ATOM 1107 O VAL A 76 63.883 -7.729 -15.002 1.00 12.34 O ATOM 1108 CB VAL A 76 62.445 -7.443 -17.595 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.252 -5.930 -17.619 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.903 -8.084 -18.867 1.00 70.33 C ATOM 0 H VAL A 76 63.619 -9.771 -16.773 1.00 52.24 H new ATOM 0 HA VAL A 76 64.507 -7.331 -18.191 1.00 50.44 H new ATOM 0 HB VAL A 76 61.880 -7.841 -16.752 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.196 -5.700 -17.763 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.590 -5.505 -16.674 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.831 -5.502 -18.437 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.853 -7.818 -18.990 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.471 -7.726 -19.726 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.997 -9.168 -18.797 1.00 70.33 H new