USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=13 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 -170:sc= -1.03 USER MOD Set 1.2: A 33 CYS SG : rot 170:sc= 0.779 USER MOD Set 1.3: A 63 CYS SG : rot 60:sc= -1.94! USER MOD Set 1.4: A 66 CYS SG : rot -38:sc= 0.988 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.15) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0102 F(o=-1.5!,f=-0.01) USER MOD Single : A 37 TYR OH : rot -163:sc= -0.252 USER MOD Single : A 52 THR OG1 : rot 99:sc= 1.28 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 2.28 (180deg=1.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -160:sc= -0.1 (180deg=-0.662) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.655 -7.065 -7.606 1.00 42.41 N ATOM 351 CA TYR A 25 66.194 -8.340 -8.121 1.00 12.14 C ATOM 352 C TYR A 25 65.796 -8.177 -9.578 1.00 32.30 C ATOM 353 O TYR A 25 65.683 -7.053 -10.065 1.00 32.03 O ATOM 354 CB TYR A 25 65.009 -8.858 -7.306 1.00 42.40 C ATOM 355 CG TYR A 25 65.376 -9.354 -5.924 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.826 -10.655 -5.722 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.262 -8.524 -4.819 1.00 5.11 C ATOM 358 CE1 TYR A 25 66.149 -11.110 -4.459 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.583 -8.971 -3.555 1.00 35.34 C ATOM 360 CZ TYR A 25 66.027 -10.263 -3.377 1.00 72.10 C ATOM 361 OH TYR A 25 66.343 -10.709 -2.115 1.00 54.31 O ATOM 0 HA TYR A 25 67.002 -9.067 -8.041 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.272 -8.060 -7.210 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.531 -9.669 -7.856 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.924 -11.320 -6.567 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.916 -7.510 -4.951 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.495 -12.123 -4.319 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.487 -8.310 -2.706 1.00 35.34 H new ATOM 0 HH TYR A 25 66.202 -9.987 -1.468 1.00 54.31 H new ATOM 371 N LYS A 26 65.601 -9.281 -10.282 1.00 31.42 N ATOM 372 CA LYS A 26 65.212 -9.208 -11.681 1.00 10.43 C ATOM 373 C LYS A 26 63.806 -9.747 -11.883 1.00 64.22 C ATOM 374 O LYS A 26 63.274 -10.492 -11.046 1.00 33.23 O ATOM 375 CB LYS A 26 66.187 -9.973 -12.588 1.00 44.31 C ATOM 376 CG LYS A 26 67.612 -9.433 -12.579 1.00 40.14 C ATOM 377 CD LYS A 26 68.381 -9.900 -11.355 1.00 14.02 C ATOM 378 CE LYS A 26 68.647 -11.396 -11.405 1.00 14.41 C ATOM 379 NZ LYS A 26 68.876 -11.962 -10.053 1.00 2.34 N ATOM 0 H LYS A 26 65.704 -10.227 -9.914 1.00 31.42 H new ATOM 0 HA LYS A 26 65.239 -8.155 -11.959 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.206 -11.018 -12.280 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.809 -9.948 -13.610 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.130 -9.759 -13.481 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.589 -8.343 -12.601 1.00 40.14 H new ATOM 0 HD2 LYS A 26 69.327 -9.363 -11.291 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.816 -9.659 -10.455 1.00 14.02 H new ATOM 0 HE2 LYS A 26 67.800 -11.900 -11.871 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.517 -11.589 -12.032 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 69.170 -12.956 -10.138 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.622 -11.420 -9.572 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 67.997 -11.907 -9.500 1.00 2.34 H new ATOM 393 N LEU A 27 63.208 -9.351 -12.995 1.00 10.35 N ATOM 394 CA LEU A 27 61.916 -9.868 -13.392 1.00 63.42 C ATOM 395 C LEU A 27 62.101 -10.816 -14.562 1.00 12.52 C ATOM 396 O LEU A 27 63.029 -10.663 -15.350 1.00 23.11 O ATOM 397 CB LEU A 27 60.952 -8.741 -13.795 1.00 14.35 C ATOM 398 CG LEU A 27 60.628 -7.710 -12.709 1.00 74.43 C ATOM 399 CD1 LEU A 27 61.768 -6.713 -12.546 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.333 -6.983 -13.039 1.00 64.32 C ATOM 0 H LEU A 27 63.604 -8.668 -13.641 1.00 10.35 H new ATOM 0 HA LEU A 27 61.481 -10.391 -12.540 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.377 -8.216 -14.651 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.018 -9.192 -14.129 1.00 14.35 H new ATOM 0 HG LEU A 27 60.503 -8.240 -11.765 1.00 74.43 H new ATOM 0 HD11 LEU A 27 61.513 -5.992 -11.769 1.00 23.04 H new ATOM 0 HD12 LEU A 27 62.678 -7.243 -12.264 1.00 23.04 H new ATOM 0 HD13 LEU A 27 61.931 -6.189 -13.488 1.00 23.04 H new ATOM 0 HD21 LEU A 27 59.116 -6.254 -12.258 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.437 -6.471 -13.995 1.00 64.32 H new ATOM 0 HD23 LEU A 27 58.517 -7.703 -13.100 1.00 64.32 H new ATOM 412 N PHE A 28 61.248 -11.810 -14.659 1.00 1.00 N ATOM 413 CA PHE A 28 61.271 -12.731 -15.777 1.00 50.25 C ATOM 414 C PHE A 28 59.878 -12.857 -16.361 1.00 32.34 C ATOM 415 O PHE A 28 58.957 -13.355 -15.714 1.00 14.13 O ATOM 416 CB PHE A 28 61.822 -14.093 -15.348 1.00 13.43 C ATOM 417 CG PHE A 28 63.296 -14.056 -15.048 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.759 -13.668 -13.799 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.220 -14.395 -16.024 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.114 -13.620 -13.531 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.576 -14.347 -15.761 1.00 45.12 C ATOM 422 CZ PHE A 28 66.025 -13.959 -14.514 1.00 30.44 C ATOM 0 H PHE A 28 60.521 -12.004 -13.970 1.00 1.00 H new ATOM 0 HA PHE A 28 61.936 -12.341 -16.548 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.284 -14.436 -14.464 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.634 -14.821 -16.137 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.052 -13.400 -13.027 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.876 -14.700 -17.001 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.461 -13.318 -12.554 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.285 -14.613 -16.531 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.084 -13.921 -14.307 1.00 30.44 H new ATOM 432 N ARG A 29 59.724 -12.371 -17.578 1.00 72.21 N ATOM 433 CA ARG A 29 58.424 -12.321 -18.221 1.00 15.21 C ATOM 434 C ARG A 29 58.284 -13.439 -19.241 1.00 74.30 C ATOM 435 O ARG A 29 59.155 -13.638 -20.082 1.00 12.12 O ATOM 436 CB ARG A 29 58.226 -10.958 -18.882 1.00 53.45 C ATOM 437 CG ARG A 29 56.903 -10.806 -19.614 1.00 41.44 C ATOM 438 CD ARG A 29 56.683 -9.366 -20.056 1.00 1.41 C ATOM 439 NE ARG A 29 57.843 -8.830 -20.767 1.00 42.11 N ATOM 440 CZ ARG A 29 58.392 -7.638 -20.517 1.00 34.34 C ATOM 441 NH1 ARG A 29 57.859 -6.826 -19.608 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.482 -7.264 -21.178 1.00 21.35 N ATOM 0 H ARG A 29 60.488 -12.003 -18.145 1.00 72.21 H new ATOM 0 HA ARG A 29 57.652 -12.461 -17.464 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.297 -10.183 -18.119 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.040 -10.787 -19.587 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.888 -11.463 -20.484 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.086 -11.119 -18.964 1.00 41.44 H new ATOM 0 HD2 ARG A 29 55.806 -9.314 -20.701 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.474 -8.747 -19.184 1.00 1.41 H new ATOM 0 HE ARG A 29 58.260 -9.403 -21.501 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.025 -7.112 -19.096 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.285 -5.918 -19.423 1.00 14.43 H new ATOM 0 HH21 ARG A 29 59.896 -7.886 -21.873 1.00 21.35 H new ATOM 0 HH22 ARG A 29 59.905 -6.355 -20.991 1.00 21.35 H new ATOM 456 N CYS A 30 57.193 -14.174 -19.147 1.00 53.14 N ATOM 457 CA CYS A 30 56.921 -15.256 -20.075 1.00 13.35 C ATOM 458 C CYS A 30 56.577 -14.693 -21.449 1.00 23.11 C ATOM 459 O CYS A 30 55.592 -13.973 -21.599 1.00 13.32 O ATOM 460 CB CYS A 30 55.768 -16.113 -19.555 1.00 24.13 C ATOM 461 SG CYS A 30 55.488 -17.629 -20.498 1.00 1.33 S ATOM 0 H CYS A 30 56.476 -14.041 -18.433 1.00 53.14 H new ATOM 0 HA CYS A 30 57.812 -15.878 -20.163 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.966 -16.376 -18.516 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.855 -15.518 -19.565 1.00 24.13 H new ATOM 0 HG CYS A 30 54.373 -18.177 -20.117 1.00 1.33 H new ATOM 466 N ILE A 31 57.370 -15.041 -22.454 1.00 13.20 N ATOM 467 CA ILE A 31 57.187 -14.497 -23.796 1.00 62.43 C ATOM 468 C ILE A 31 56.063 -15.225 -24.521 1.00 64.12 C ATOM 469 O ILE A 31 55.744 -14.918 -25.668 1.00 21.10 O ATOM 470 CB ILE A 31 58.480 -14.580 -24.639 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.899 -16.039 -24.850 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.595 -13.793 -23.969 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.126 -16.203 -25.723 1.00 74.30 C ATOM 0 H ILE A 31 58.146 -15.697 -22.367 1.00 13.20 H new ATOM 0 HA ILE A 31 56.927 -13.445 -23.677 1.00 62.43 H new ATOM 0 HB ILE A 31 58.284 -14.141 -25.617 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.092 -16.496 -23.879 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.069 -16.584 -25.300 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.500 -13.859 -24.572 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.297 -12.749 -23.875 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.788 -14.206 -22.979 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.360 -17.263 -25.826 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.932 -15.777 -26.707 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.970 -15.688 -25.265 1.00 74.30 H new ATOM 485 N GLN A 32 55.473 -16.199 -23.843 1.00 51.33 N ATOM 486 CA GLN A 32 54.346 -16.936 -24.389 1.00 23.44 C ATOM 487 C GLN A 32 53.049 -16.183 -24.126 1.00 13.04 C ATOM 488 O GLN A 32 52.036 -16.423 -24.781 1.00 35.13 O ATOM 489 CB GLN A 32 54.263 -18.330 -23.763 1.00 55.24 C ATOM 490 CG GLN A 32 55.514 -19.167 -23.956 1.00 33.15 C ATOM 491 CD GLN A 32 55.781 -19.500 -25.407 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.522 -18.641 -26.077 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 55.331 -20.525 -25.915 1.00 22.30 N flip ATOM 0 H GLN A 32 55.759 -16.497 -22.910 1.00 51.33 H new ATOM 0 HA GLN A 32 54.492 -17.038 -25.464 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.068 -18.227 -22.696 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.413 -18.860 -24.193 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.371 -18.630 -23.548 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.417 -20.092 -23.388 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.761 -21.162 -25.358 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.527 -20.738 -26.893 1.00 22.30 H new ATOM 502 N CYS A 33 53.090 -15.263 -23.171 1.00 2.20 N ATOM 503 CA CYS A 33 51.888 -14.541 -22.773 1.00 22.24 C ATOM 504 C CYS A 33 52.208 -13.130 -22.283 1.00 72.42 C ATOM 505 O CYS A 33 51.708 -12.149 -22.832 1.00 22.31 O ATOM 506 CB CYS A 33 51.140 -15.326 -21.692 1.00 41.11 C ATOM 507 SG CYS A 33 52.175 -15.873 -20.312 1.00 25.30 S ATOM 0 H CYS A 33 53.934 -15.001 -22.662 1.00 2.20 H new ATOM 0 HA CYS A 33 51.251 -14.443 -23.652 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.334 -14.705 -21.301 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.676 -16.199 -22.150 1.00 41.11 H new ATOM 0 HG CYS A 33 51.420 -16.341 -19.363 1.00 25.30 H new ATOM 512 N GLY A 34 53.052 -13.030 -21.268 1.00 75.22 N ATOM 513 CA GLY A 34 53.360 -11.735 -20.692 1.00 61.15 C ATOM 514 C GLY A 34 53.395 -11.762 -19.174 1.00 41.20 C ATOM 515 O GLY A 34 53.474 -10.715 -18.537 1.00 65.41 O ATOM 0 H GLY A 34 53.529 -13.819 -20.832 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.325 -11.395 -21.068 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.616 -11.009 -21.021 1.00 61.15 H new ATOM 519 N PHE A 35 53.327 -12.957 -18.595 1.00 44.34 N ATOM 520 CA PHE A 35 53.401 -13.116 -17.146 1.00 63.14 C ATOM 521 C PHE A 35 54.772 -12.688 -16.628 1.00 62.11 C ATOM 522 O PHE A 35 55.784 -13.297 -16.968 1.00 22.11 O ATOM 523 CB PHE A 35 53.126 -14.577 -16.773 1.00 51.10 C ATOM 524 CG PHE A 35 53.297 -14.884 -15.311 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.326 -14.521 -14.393 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.425 -15.549 -14.860 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.481 -14.812 -13.051 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.588 -15.841 -13.521 1.00 63.43 C ATOM 529 CZ PHE A 35 53.614 -15.475 -12.614 1.00 22.21 C ATOM 0 H PHE A 35 53.220 -13.832 -19.109 1.00 44.34 H new ATOM 0 HA PHE A 35 52.647 -12.479 -16.683 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.108 -14.830 -17.069 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.794 -15.219 -17.348 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.439 -14.005 -14.729 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.188 -15.843 -15.566 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.718 -14.522 -12.344 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.476 -16.355 -13.183 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.736 -15.706 -11.566 1.00 22.21 H new ATOM 539 N GLU A 36 54.799 -11.639 -15.816 1.00 21.30 N ATOM 540 CA GLU A 36 56.046 -11.138 -15.253 1.00 35.33 C ATOM 541 C GLU A 36 56.258 -11.642 -13.836 1.00 44.03 C ATOM 542 O GLU A 36 55.509 -11.303 -12.921 1.00 52.25 O ATOM 543 CB GLU A 36 56.077 -9.610 -15.266 1.00 30.54 C ATOM 544 CG GLU A 36 56.431 -9.034 -16.620 1.00 13.22 C ATOM 545 CD GLU A 36 56.459 -7.521 -16.640 1.00 51.45 C ATOM 546 OE1 GLU A 36 57.083 -6.919 -15.747 1.00 35.32 O ATOM 547 OE2 GLU A 36 55.881 -6.930 -17.573 1.00 54.43 O ATOM 0 H GLU A 36 53.970 -11.118 -15.532 1.00 21.30 H new ATOM 0 HA GLU A 36 56.855 -11.515 -15.879 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.102 -9.230 -14.960 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.800 -9.261 -14.529 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.407 -9.412 -16.924 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.709 -9.387 -17.357 1.00 13.22 H new ATOM 554 N TYR A 37 57.278 -12.463 -13.672 1.00 71.04 N ATOM 555 CA TYR A 37 57.677 -12.931 -12.355 1.00 2.31 C ATOM 556 C TYR A 37 58.844 -12.102 -11.833 1.00 2.10 C ATOM 557 O TYR A 37 59.905 -12.068 -12.443 1.00 33.24 O ATOM 558 CB TYR A 37 58.069 -14.415 -12.392 1.00 64.22 C ATOM 559 CG TYR A 37 58.765 -14.880 -11.127 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.040 -15.219 -9.994 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.153 -14.958 -11.066 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.675 -15.628 -8.837 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.793 -15.363 -9.911 1.00 42.11 C ATOM 564 CZ TYR A 37 60.051 -15.697 -8.801 1.00 3.33 C ATOM 565 OH TYR A 37 60.687 -16.096 -7.648 1.00 35.44 O ATOM 0 H TYR A 37 57.849 -12.822 -14.437 1.00 71.04 H new ATOM 0 HA TYR A 37 56.825 -12.816 -11.685 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.174 -15.017 -12.549 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.724 -14.590 -13.245 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.962 -15.162 -10.017 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.739 -14.698 -11.935 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.096 -15.892 -7.965 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.871 -15.417 -9.879 1.00 42.11 H new ATOM 0 HH TYR A 37 61.630 -15.833 -7.687 1.00 35.44 H new ATOM 575 N ASP A 38 58.643 -11.433 -10.713 1.00 70.50 N ATOM 576 CA ASP A 38 59.718 -10.686 -10.070 1.00 10.30 C ATOM 577 C ASP A 38 60.277 -11.499 -8.910 1.00 4.53 C ATOM 578 O ASP A 38 59.509 -12.053 -8.121 1.00 73.13 O ATOM 579 CB ASP A 38 59.202 -9.333 -9.574 1.00 64.12 C ATOM 580 CG ASP A 38 60.232 -8.571 -8.763 1.00 45.13 C ATOM 581 OD1 ASP A 38 61.035 -7.827 -9.356 1.00 30.54 O ATOM 582 OD2 ASP A 38 60.229 -8.712 -7.528 1.00 51.42 O ATOM 0 H ASP A 38 57.747 -11.389 -10.227 1.00 70.50 H new ATOM 0 HA ASP A 38 60.512 -10.504 -10.794 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.901 -8.729 -10.430 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.311 -9.490 -8.966 1.00 64.12 H new ATOM 587 N GLU A 39 61.601 -11.596 -8.820 1.00 21.24 N ATOM 588 CA GLU A 39 62.237 -12.401 -7.772 1.00 73.35 C ATOM 589 C GLU A 39 61.879 -11.909 -6.367 1.00 61.05 C ATOM 590 O GLU A 39 61.688 -12.711 -5.452 1.00 14.23 O ATOM 591 CB GLU A 39 63.756 -12.408 -7.937 1.00 3.15 C ATOM 592 CG GLU A 39 64.252 -13.115 -9.186 1.00 2.32 C ATOM 593 CD GLU A 39 65.762 -13.070 -9.299 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.315 -11.958 -9.442 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.404 -14.140 -9.225 1.00 42.02 O ATOM 0 H GLU A 39 62.253 -11.133 -9.453 1.00 21.24 H new ATOM 0 HA GLU A 39 61.854 -13.415 -7.883 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.111 -11.378 -7.953 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.201 -12.885 -7.064 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.920 -14.153 -9.172 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.808 -12.651 -10.067 1.00 2.32 H new ATOM 602 N ALA A 40 61.776 -10.593 -6.198 1.00 41.21 N ATOM 603 CA ALA A 40 61.502 -10.007 -4.888 1.00 41.44 C ATOM 604 C ALA A 40 60.045 -10.203 -4.504 1.00 73.14 C ATOM 605 O ALA A 40 59.715 -10.361 -3.328 1.00 63.31 O ATOM 606 CB ALA A 40 61.848 -8.525 -4.879 1.00 64.54 C ATOM 0 H ALA A 40 61.878 -9.913 -6.951 1.00 41.21 H new ATOM 0 HA ALA A 40 62.127 -10.517 -4.155 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.637 -8.108 -3.894 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.906 -8.397 -5.108 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.250 -8.007 -5.629 1.00 64.54 H new ATOM 612 N LEU A 41 59.179 -10.171 -5.505 1.00 35.01 N ATOM 613 CA LEU A 41 57.755 -10.391 -5.298 1.00 43.03 C ATOM 614 C LEU A 41 57.499 -11.870 -5.022 1.00 41.24 C ATOM 615 O LEU A 41 56.805 -12.226 -4.066 1.00 5.12 O ATOM 616 CB LEU A 41 56.970 -9.926 -6.535 1.00 54.42 C ATOM 617 CG LEU A 41 55.498 -9.539 -6.306 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.642 -10.753 -5.970 1.00 54.05 C ATOM 619 CD2 LEU A 41 55.393 -8.492 -5.207 1.00 50.10 C ATOM 0 H LEU A 41 59.439 -9.994 -6.475 1.00 35.01 H new ATOM 0 HA LEU A 41 57.418 -9.812 -4.438 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.486 -9.067 -6.964 1.00 54.42 H new ATOM 0 HB3 LEU A 41 57.002 -10.722 -7.279 1.00 54.42 H new ATOM 0 HG LEU A 41 55.117 -9.117 -7.236 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.610 -10.439 -5.815 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.685 -11.467 -6.792 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.018 -11.223 -5.061 1.00 54.05 H new ATOM 0 HD21 LEU A 41 54.347 -8.227 -5.055 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.803 -8.894 -4.281 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.954 -7.603 -5.496 1.00 50.10 H new ATOM 631 N GLY A 42 58.078 -12.725 -5.858 1.00 60.35 N ATOM 632 CA GLY A 42 57.906 -14.155 -5.708 1.00 65.42 C ATOM 633 C GLY A 42 56.562 -14.627 -6.225 1.00 1.31 C ATOM 634 O GLY A 42 55.863 -13.892 -6.921 1.00 22.32 O ATOM 0 H GLY A 42 58.668 -12.448 -6.643 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.702 -14.673 -6.243 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.003 -14.423 -4.656 1.00 65.42 H new ATOM 638 N TRP A 43 56.207 -15.856 -5.892 1.00 34.01 N ATOM 639 CA TRP A 43 54.913 -16.405 -6.256 1.00 72.13 C ATOM 640 C TRP A 43 54.449 -17.355 -5.158 1.00 1.53 C ATOM 641 O TRP A 43 54.534 -18.581 -5.290 1.00 0.54 O ATOM 642 CB TRP A 43 54.981 -17.125 -7.610 1.00 22.21 C ATOM 643 CG TRP A 43 53.635 -17.494 -8.164 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.070 -18.732 -8.190 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.686 -16.610 -8.772 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.830 -18.675 -8.774 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.573 -17.384 -9.144 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.670 -15.239 -9.039 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.456 -16.834 -9.765 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.561 -14.693 -9.657 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.469 -15.489 -10.015 1.00 72.01 C ATOM 0 H TRP A 43 56.802 -16.496 -5.366 1.00 34.01 H new ATOM 0 HA TRP A 43 54.194 -15.592 -6.357 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.496 -16.485 -8.326 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.580 -18.029 -7.501 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.531 -19.630 -7.806 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.202 -19.467 -8.910 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.510 -14.617 -8.767 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.610 -17.446 -10.040 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.538 -13.634 -9.867 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.618 -15.033 -10.499 1.00 72.01 H new ATOM 662 N PRO A 44 53.976 -16.791 -4.034 1.00 45.41 N ATOM 663 CA PRO A 44 53.630 -17.569 -2.844 1.00 41.22 C ATOM 664 C PRO A 44 52.415 -18.457 -3.056 1.00 43.31 C ATOM 665 O PRO A 44 52.097 -19.292 -2.214 1.00 52.04 O ATOM 666 CB PRO A 44 53.344 -16.508 -1.778 1.00 1.41 C ATOM 667 CG PRO A 44 53.011 -15.268 -2.533 1.00 43.31 C ATOM 668 CD PRO A 44 53.750 -15.346 -3.840 1.00 12.02 C ATOM 0 HA PRO A 44 54.432 -18.254 -2.570 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.517 -16.810 -1.135 1.00 1.41 H new ATOM 0 HB3 PRO A 44 54.210 -16.355 -1.134 1.00 1.41 H new ATOM 0 HG2 PRO A 44 51.936 -15.193 -2.700 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.309 -14.382 -1.972 1.00 43.31 H new ATOM 0 HD2 PRO A 44 53.166 -14.920 -4.655 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.690 -14.796 -3.801 1.00 12.02 H new ATOM 676 N GLU A 45 51.745 -18.278 -4.189 1.00 52.10 N ATOM 677 CA GLU A 45 50.590 -19.096 -4.528 1.00 33.11 C ATOM 678 C GLU A 45 51.023 -20.519 -4.860 1.00 32.45 C ATOM 679 O GLU A 45 50.307 -21.476 -4.573 1.00 53.21 O ATOM 680 CB GLU A 45 49.822 -18.480 -5.701 1.00 63.41 C ATOM 681 CG GLU A 45 49.319 -17.076 -5.416 1.00 44.43 C ATOM 682 CD GLU A 45 48.248 -16.627 -6.387 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.185 -17.284 -6.449 1.00 61.31 O ATOM 684 OE2 GLU A 45 48.451 -15.611 -7.083 1.00 63.33 O ATOM 0 H GLU A 45 51.983 -17.573 -4.887 1.00 52.10 H new ATOM 0 HA GLU A 45 49.927 -19.131 -3.664 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.469 -18.456 -6.578 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.974 -19.119 -5.948 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.923 -17.036 -4.401 1.00 44.43 H new ATOM 0 HG3 GLU A 45 50.156 -16.380 -5.459 1.00 44.43 H new ATOM 691 N ASP A 46 52.205 -20.654 -5.454 1.00 54.25 N ATOM 692 CA ASP A 46 52.756 -21.971 -5.771 1.00 30.40 C ATOM 693 C ASP A 46 53.693 -22.432 -4.660 1.00 61.32 C ATOM 694 O ASP A 46 53.922 -23.627 -4.468 1.00 73.23 O ATOM 695 CB ASP A 46 53.507 -21.927 -7.106 1.00 23.20 C ATOM 696 CG ASP A 46 54.083 -23.269 -7.506 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.298 -24.204 -7.766 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.320 -23.385 -7.590 1.00 44.11 O ATOM 0 H ASP A 46 52.800 -19.871 -5.726 1.00 54.25 H new ATOM 0 HA ASP A 46 51.933 -22.680 -5.855 1.00 30.40 H new ATOM 0 HB2 ASP A 46 52.829 -21.582 -7.887 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.314 -21.197 -7.039 1.00 23.20 H new ATOM 703 N GLY A 47 54.203 -21.471 -3.904 1.00 73.12 N ATOM 704 CA GLY A 47 55.118 -21.781 -2.823 1.00 12.11 C ATOM 705 C GLY A 47 56.414 -21.010 -2.934 1.00 64.11 C ATOM 706 O GLY A 47 57.199 -20.961 -1.989 1.00 22.42 O ATOM 0 H GLY A 47 53.999 -20.478 -4.020 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.642 -21.553 -1.869 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.332 -22.850 -2.825 1.00 12.11 H new ATOM 710 N ILE A 48 56.633 -20.398 -4.091 1.00 0.01 N ATOM 711 CA ILE A 48 57.837 -19.615 -4.331 1.00 25.24 C ATOM 712 C ILE A 48 57.851 -18.376 -3.436 1.00 62.01 C ATOM 713 O ILE A 48 57.102 -17.427 -3.665 1.00 62.43 O ATOM 714 CB ILE A 48 57.936 -19.175 -5.809 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.812 -20.381 -6.748 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.241 -18.434 -6.060 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.906 -21.412 -6.572 1.00 43.03 C ATOM 0 H ILE A 48 55.989 -20.430 -4.881 1.00 0.01 H new ATOM 0 HA ILE A 48 58.693 -20.248 -4.097 1.00 25.24 H new ATOM 0 HB ILE A 48 57.108 -18.497 -6.017 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.846 -20.859 -6.584 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.822 -20.028 -7.779 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.293 -18.132 -7.106 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.285 -17.550 -5.424 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.081 -19.089 -5.829 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.748 -22.233 -7.271 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.875 -20.951 -6.766 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.884 -21.795 -5.552 1.00 43.03 H new ATOM 729 N ALA A 49 58.694 -18.399 -2.415 1.00 31.20 N ATOM 730 CA ALA A 49 58.745 -17.322 -1.434 1.00 5.11 C ATOM 731 C ALA A 49 59.371 -16.059 -2.015 1.00 32.55 C ATOM 732 O ALA A 49 60.254 -16.123 -2.879 1.00 44.13 O ATOM 733 CB ALA A 49 59.515 -17.775 -0.204 1.00 50.42 C ATOM 0 H ALA A 49 59.356 -19.155 -2.242 1.00 31.20 H new ATOM 0 HA ALA A 49 57.721 -17.080 -1.150 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.548 -16.964 0.524 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.019 -18.639 0.238 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.531 -18.047 -0.490 1.00 50.42 H new ATOM 739 N ALA A 50 58.902 -14.916 -1.537 1.00 43.33 N ATOM 740 CA ALA A 50 59.424 -13.626 -1.961 1.00 31.42 C ATOM 741 C ALA A 50 60.922 -13.535 -1.692 1.00 65.35 C ATOM 742 O ALA A 50 61.364 -13.603 -0.545 1.00 33.24 O ATOM 743 CB ALA A 50 58.682 -12.508 -1.244 1.00 12.13 C ATOM 0 H ALA A 50 58.153 -14.857 -0.848 1.00 43.33 H new ATOM 0 HA ALA A 50 59.269 -13.521 -3.035 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.077 -11.544 -1.565 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.620 -12.563 -1.485 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.816 -12.614 -0.168 1.00 12.13 H new ATOM 749 N GLY A 51 61.700 -13.400 -2.755 1.00 23.11 N ATOM 750 CA GLY A 51 63.140 -13.343 -2.616 1.00 51.21 C ATOM 751 C GLY A 51 63.813 -14.606 -3.113 1.00 12.22 C ATOM 752 O GLY A 51 65.040 -14.724 -3.054 1.00 44.15 O ATOM 0 H GLY A 51 61.359 -13.329 -3.714 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.523 -12.487 -3.171 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.396 -13.185 -1.568 1.00 51.21 H new ATOM 756 N THR A 52 63.017 -15.562 -3.586 1.00 34.23 N ATOM 757 CA THR A 52 63.567 -16.773 -4.178 1.00 72.11 C ATOM 758 C THR A 52 64.215 -16.464 -5.523 1.00 32.45 C ATOM 759 O THR A 52 63.568 -15.943 -6.434 1.00 11.25 O ATOM 760 CB THR A 52 62.490 -17.858 -4.358 1.00 4.53 C ATOM 761 OG1 THR A 52 61.898 -18.158 -3.087 1.00 61.21 O ATOM 762 CG2 THR A 52 63.078 -19.130 -4.957 1.00 63.31 C ATOM 0 H THR A 52 61.998 -15.520 -3.570 1.00 34.23 H new ATOM 0 HA THR A 52 64.323 -17.155 -3.492 1.00 72.11 H new ATOM 0 HB THR A 52 61.734 -17.477 -5.044 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.047 -17.679 -3.001 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.291 -19.876 -5.071 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.510 -18.907 -5.932 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.853 -19.518 -4.297 1.00 63.31 H new ATOM 770 N ARG A 53 65.498 -16.777 -5.622 1.00 11.11 N ATOM 771 CA ARG A 53 66.265 -16.549 -6.836 1.00 1.42 C ATOM 772 C ARG A 53 65.766 -17.404 -7.991 1.00 24.11 C ATOM 773 O ARG A 53 65.348 -18.549 -7.802 1.00 33.21 O ATOM 774 CB ARG A 53 67.744 -16.845 -6.585 1.00 42.33 C ATOM 775 CG ARG A 53 68.473 -15.734 -5.852 1.00 70.11 C ATOM 776 CD ARG A 53 68.630 -14.512 -6.741 1.00 62.02 C ATOM 777 NE ARG A 53 69.373 -13.444 -6.086 1.00 73.44 N ATOM 778 CZ ARG A 53 70.326 -12.738 -6.683 1.00 34.42 C ATOM 779 NH1 ARG A 53 70.731 -13.061 -7.909 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.893 -11.724 -6.046 1.00 20.33 N ATOM 0 H ARG A 53 66.036 -17.196 -4.863 1.00 11.11 H new ATOM 0 HA ARG A 53 66.137 -15.502 -7.111 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.828 -17.765 -6.007 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.237 -17.022 -7.541 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.922 -15.465 -4.951 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.454 -16.086 -5.533 1.00 70.11 H new ATOM 0 HD2 ARG A 53 69.142 -14.797 -7.660 1.00 62.02 H new ATOM 0 HD3 ARG A 53 67.645 -14.144 -7.026 1.00 62.02 H new ATOM 0 HE ARG A 53 69.149 -13.226 -5.115 1.00 73.44 H new ATOM 0 HH11 ARG A 53 70.309 -13.853 -8.393 1.00 5.03 H new ATOM 0 HH12 ARG A 53 71.463 -12.516 -8.364 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.597 -11.487 -5.099 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.625 -11.180 -6.503 1.00 20.33 H new ATOM 794 N TRP A 54 65.839 -16.844 -9.191 1.00 75.02 N ATOM 795 CA TRP A 54 65.521 -17.572 -10.413 1.00 4.51 C ATOM 796 C TRP A 54 66.500 -18.731 -10.585 1.00 51.50 C ATOM 797 O TRP A 54 66.206 -19.727 -11.251 1.00 53.22 O ATOM 798 CB TRP A 54 65.591 -16.617 -11.609 1.00 14.02 C ATOM 799 CG TRP A 54 65.055 -17.182 -12.892 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.777 -17.582 -13.979 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.679 -17.395 -13.226 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.933 -18.024 -14.968 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.642 -17.923 -14.529 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.475 -17.191 -12.550 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.449 -18.248 -15.168 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.291 -17.515 -13.185 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.286 -18.039 -14.482 1.00 44.10 C ATOM 0 H TRP A 54 66.119 -15.875 -9.345 1.00 75.02 H new ATOM 0 HA TRP A 54 64.511 -17.978 -10.352 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.036 -15.711 -11.367 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.629 -16.323 -11.762 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.854 -17.555 -14.051 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.222 -18.371 -15.882 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.469 -16.787 -11.548 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.443 -18.651 -16.170 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.354 -17.361 -12.671 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.344 -18.283 -14.950 1.00 44.10 H new ATOM 818 N ASP A 55 67.667 -18.582 -9.967 1.00 34.41 N ATOM 819 CA ASP A 55 68.688 -19.623 -9.946 1.00 13.53 C ATOM 820 C ASP A 55 68.226 -20.792 -9.088 1.00 43.20 C ATOM 821 O ASP A 55 68.506 -21.953 -9.388 1.00 13.14 O ATOM 822 CB ASP A 55 69.992 -19.076 -9.354 1.00 34.21 C ATOM 823 CG ASP A 55 70.340 -17.690 -9.850 1.00 1.12 C ATOM 824 OD1 ASP A 55 69.694 -16.719 -9.400 1.00 31.22 O ATOM 825 OD2 ASP A 55 71.268 -17.562 -10.675 1.00 31.21 O ATOM 0 H ASP A 55 67.932 -17.734 -9.466 1.00 34.41 H new ATOM 0 HA ASP A 55 68.856 -19.954 -10.971 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.909 -19.055 -8.267 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.807 -19.757 -9.598 1.00 34.21 H new ATOM 830 N ASP A 56 67.510 -20.469 -8.019 1.00 74.00 N ATOM 831 CA ASP A 56 67.082 -21.460 -7.039 1.00 13.50 C ATOM 832 C ASP A 56 65.881 -22.240 -7.553 1.00 35.01 C ATOM 833 O ASP A 56 65.719 -23.425 -7.257 1.00 73.34 O ATOM 834 CB ASP A 56 66.738 -20.769 -5.718 1.00 10.43 C ATOM 835 CG ASP A 56 66.390 -21.746 -4.611 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.322 -22.325 -4.013 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.191 -21.926 -4.323 1.00 45.42 O ATOM 0 H ASP A 56 67.210 -19.517 -7.807 1.00 74.00 H new ATOM 0 HA ASP A 56 67.899 -22.162 -6.873 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.584 -20.158 -5.403 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.898 -20.093 -5.876 1.00 10.43 H new ATOM 842 N ILE A 57 65.046 -21.563 -8.328 1.00 54.25 N ATOM 843 CA ILE A 57 63.872 -22.184 -8.924 1.00 24.31 C ATOM 844 C ILE A 57 64.279 -23.233 -9.958 1.00 43.24 C ATOM 845 O ILE A 57 64.958 -22.917 -10.935 1.00 14.33 O ATOM 846 CB ILE A 57 62.967 -21.129 -9.595 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.505 -20.089 -8.570 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.769 -21.795 -10.254 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.674 -18.975 -9.170 1.00 14.05 C ATOM 0 H ILE A 57 65.161 -20.576 -8.560 1.00 54.25 H new ATOM 0 HA ILE A 57 63.316 -22.668 -8.121 1.00 24.31 H new ATOM 0 HB ILE A 57 63.545 -20.620 -10.366 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.923 -20.588 -7.795 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.380 -19.657 -8.083 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.142 -21.036 -10.722 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.115 -22.498 -11.012 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.190 -22.330 -9.501 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.382 -18.276 -8.386 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.260 -18.450 -9.925 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.781 -19.396 -9.632 1.00 14.05 H new ATOM 861 N PRO A 58 63.864 -24.495 -9.749 1.00 63.44 N ATOM 862 CA PRO A 58 64.199 -25.605 -10.649 1.00 3.44 C ATOM 863 C PRO A 58 63.677 -25.385 -12.063 1.00 51.00 C ATOM 864 O PRO A 58 62.620 -24.780 -12.263 1.00 45.01 O ATOM 865 CB PRO A 58 63.506 -26.817 -10.014 1.00 24.00 C ATOM 866 CG PRO A 58 62.472 -26.245 -9.104 1.00 73.11 C ATOM 867 CD PRO A 58 63.030 -24.939 -8.620 1.00 50.42 C ATOM 0 HA PRO A 58 65.278 -25.722 -10.753 1.00 3.44 H new ATOM 0 HB2 PRO A 58 63.053 -27.454 -10.774 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.217 -27.433 -9.464 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.528 -26.096 -9.629 1.00 73.11 H new ATOM 0 HG3 PRO A 58 62.270 -26.917 -8.270 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.241 -24.222 -8.395 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.616 -25.064 -7.710 1.00 50.42 H new ATOM 875 N ASP A 59 64.411 -25.904 -13.041 1.00 25.01 N ATOM 876 CA ASP A 59 64.064 -25.729 -14.451 1.00 41.44 C ATOM 877 C ASP A 59 62.768 -26.455 -14.801 1.00 34.41 C ATOM 878 O ASP A 59 62.175 -26.207 -15.848 1.00 72.22 O ATOM 879 CB ASP A 59 65.198 -26.221 -15.356 1.00 1.55 C ATOM 880 CG ASP A 59 65.492 -27.698 -15.185 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.211 -28.055 -14.227 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.013 -28.505 -16.012 1.00 11.32 O ATOM 0 H ASP A 59 65.256 -26.453 -12.884 1.00 25.01 H new ATOM 0 HA ASP A 59 63.915 -24.662 -14.619 1.00 41.44 H new ATOM 0 HB2 ASP A 59 64.936 -26.026 -16.396 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.101 -25.649 -15.142 1.00 1.55 H new ATOM 887 N ASP A 60 62.336 -27.353 -13.922 1.00 32.43 N ATOM 888 CA ASP A 60 61.073 -28.061 -14.116 1.00 54.13 C ATOM 889 C ASP A 60 59.894 -27.141 -13.838 1.00 24.24 C ATOM 890 O ASP A 60 58.786 -27.372 -14.326 1.00 12.35 O ATOM 891 CB ASP A 60 60.979 -29.281 -13.199 1.00 23.23 C ATOM 892 CG ASP A 60 62.000 -30.344 -13.521 1.00 23.22 C ATOM 893 OD1 ASP A 60 61.801 -31.095 -14.502 1.00 70.35 O ATOM 894 OD2 ASP A 60 63.007 -30.440 -12.791 1.00 42.45 O ATOM 0 H ASP A 60 62.838 -27.608 -13.072 1.00 32.43 H new ATOM 0 HA ASP A 60 61.041 -28.392 -15.154 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.110 -28.962 -12.165 1.00 23.23 H new ATOM 0 HB3 ASP A 60 59.980 -29.710 -13.276 1.00 23.23 H new ATOM 899 N TRP A 61 60.135 -26.098 -13.052 1.00 5.24 N ATOM 900 CA TRP A 61 59.087 -25.159 -12.690 1.00 42.43 C ATOM 901 C TRP A 61 58.679 -24.349 -13.909 1.00 33.21 C ATOM 902 O TRP A 61 59.488 -23.621 -14.486 1.00 22.24 O ATOM 903 CB TRP A 61 59.557 -24.234 -11.563 1.00 54.42 C ATOM 904 CG TRP A 61 58.518 -23.249 -11.103 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.515 -23.471 -10.207 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.394 -21.879 -11.509 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.778 -22.327 -10.027 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.296 -21.336 -10.816 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.104 -21.061 -12.392 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.895 -20.011 -10.980 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.704 -19.750 -12.553 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.610 -19.236 -11.847 1.00 25.01 C ATOM 0 H TRP A 61 61.049 -25.884 -12.654 1.00 5.24 H new ATOM 0 HA TRP A 61 58.223 -25.717 -12.331 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.866 -24.843 -10.713 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.437 -23.686 -11.900 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.327 -24.411 -9.710 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.975 -22.231 -9.406 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.951 -21.448 -12.939 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.049 -19.612 -10.440 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.244 -19.110 -13.235 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.326 -18.204 -11.991 1.00 25.01 H new ATOM 923 N SER A 62 57.433 -24.502 -14.310 1.00 54.20 N ATOM 924 CA SER A 62 56.926 -23.815 -15.478 1.00 3.30 C ATOM 925 C SER A 62 56.034 -22.650 -15.068 1.00 13.23 C ATOM 926 O SER A 62 55.568 -22.584 -13.931 1.00 63.43 O ATOM 927 CB SER A 62 56.158 -24.798 -16.356 1.00 63.43 C ATOM 928 OG SER A 62 56.915 -25.980 -16.559 1.00 64.32 O ATOM 0 H SER A 62 56.751 -25.099 -13.841 1.00 54.20 H new ATOM 0 HA SER A 62 57.764 -23.413 -16.047 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.205 -25.045 -15.888 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.930 -24.336 -17.316 1.00 63.43 H new ATOM 0 HG SER A 62 56.408 -26.601 -17.123 1.00 64.32 H new ATOM 934 N CYS A 63 55.818 -21.733 -16.003 1.00 24.15 N ATOM 935 CA CYS A 63 54.988 -20.559 -15.770 1.00 63.43 C ATOM 936 C CYS A 63 53.604 -20.956 -15.255 1.00 24.51 C ATOM 937 O CYS A 63 52.834 -21.600 -15.964 1.00 44.14 O ATOM 938 CB CYS A 63 54.858 -19.764 -17.074 1.00 63.12 C ATOM 939 SG CYS A 63 53.809 -18.298 -16.963 1.00 13.20 S ATOM 0 H CYS A 63 56.213 -21.782 -16.942 1.00 24.15 H new ATOM 0 HA CYS A 63 55.463 -19.941 -15.008 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.853 -19.458 -17.398 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.459 -20.422 -17.846 1.00 63.12 H new ATOM 0 HG CYS A 63 54.293 -17.485 -16.072 1.00 13.20 H new ATOM 944 N PRO A 64 53.276 -20.571 -14.006 1.00 12.23 N ATOM 945 CA PRO A 64 51.979 -20.882 -13.387 1.00 52.51 C ATOM 946 C PRO A 64 50.802 -20.326 -14.182 1.00 52.22 C ATOM 947 O PRO A 64 49.656 -20.736 -13.990 1.00 21.33 O ATOM 948 CB PRO A 64 52.058 -20.202 -12.017 1.00 2.43 C ATOM 949 CG PRO A 64 53.508 -20.006 -11.754 1.00 63.34 C ATOM 950 CD PRO A 64 54.158 -19.824 -13.092 1.00 75.23 C ATOM 0 HA PRO A 64 51.808 -21.957 -13.337 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.528 -19.250 -12.020 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.599 -20.820 -11.245 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.674 -19.135 -11.120 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.928 -20.866 -11.232 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.223 -18.771 -13.367 1.00 75.23 H new ATOM 0 HD3 PRO A 64 55.174 -20.219 -13.102 1.00 75.23 H new ATOM 958 N ASP A 65 51.092 -19.392 -15.072 1.00 62.43 N ATOM 959 CA ASP A 65 50.072 -18.763 -15.900 1.00 4.14 C ATOM 960 C ASP A 65 49.646 -19.670 -17.055 1.00 73.14 C ATOM 961 O ASP A 65 48.469 -19.705 -17.421 1.00 75.43 O ATOM 962 CB ASP A 65 50.587 -17.425 -16.438 1.00 75.11 C ATOM 963 CG ASP A 65 49.737 -16.872 -17.563 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.712 -16.222 -17.277 1.00 12.44 O ATOM 965 OD2 ASP A 65 50.095 -17.087 -18.736 1.00 62.34 O ATOM 0 H ASP A 65 52.037 -19.048 -15.242 1.00 62.43 H new ATOM 0 HA ASP A 65 49.195 -18.588 -15.277 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.619 -16.701 -15.624 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.610 -17.552 -16.792 1.00 75.11 H new ATOM 970 N CYS A 66 50.588 -20.423 -17.608 1.00 24.23 N ATOM 971 CA CYS A 66 50.309 -21.218 -18.800 1.00 44.35 C ATOM 972 C CYS A 66 50.978 -22.589 -18.738 1.00 61.50 C ATOM 973 O CYS A 66 50.321 -23.619 -18.894 1.00 33.10 O ATOM 974 CB CYS A 66 50.760 -20.456 -20.047 1.00 11.53 C ATOM 975 SG CYS A 66 52.420 -19.751 -19.918 1.00 2.42 S ATOM 0 H CYS A 66 51.542 -20.501 -17.256 1.00 24.23 H new ATOM 0 HA CYS A 66 49.233 -21.387 -18.849 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.728 -21.130 -20.903 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.050 -19.653 -20.246 1.00 11.53 H new ATOM 0 HG CYS A 66 52.610 -19.307 -18.711 1.00 2.42 H new ATOM 980 N GLY A 67 52.281 -22.604 -18.511 1.00 11.35 N ATOM 981 CA GLY A 67 53.007 -23.858 -18.450 1.00 2.21 C ATOM 982 C GLY A 67 54.292 -23.821 -19.250 1.00 45.15 C ATOM 983 O GLY A 67 54.962 -24.840 -19.410 1.00 12.15 O ATOM 0 H GLY A 67 52.851 -21.771 -18.367 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.236 -24.092 -17.410 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.372 -24.661 -18.825 1.00 2.21 H new ATOM 987 N ALA A 68 54.632 -22.645 -19.765 1.00 3.21 N ATOM 988 CA ALA A 68 55.870 -22.466 -20.511 1.00 51.33 C ATOM 989 C ALA A 68 57.078 -22.661 -19.606 1.00 24.02 C ATOM 990 O ALA A 68 57.021 -22.356 -18.412 1.00 24.41 O ATOM 991 CB ALA A 68 55.905 -21.087 -21.142 1.00 22.41 C ATOM 0 H ALA A 68 54.066 -21.801 -19.679 1.00 3.21 H new ATOM 0 HA ALA A 68 55.908 -23.217 -21.300 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.835 -20.964 -21.697 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.060 -20.976 -21.821 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.845 -20.328 -20.362 1.00 22.41 H new ATOM 997 N ALA A 69 58.165 -23.155 -20.180 1.00 63.43 N ATOM 998 CA ALA A 69 59.376 -23.434 -19.420 1.00 14.25 C ATOM 999 C ALA A 69 60.157 -22.154 -19.156 1.00 45.14 C ATOM 1000 O ALA A 69 59.836 -21.100 -19.706 1.00 64.45 O ATOM 1001 CB ALA A 69 60.240 -24.441 -20.163 1.00 43.25 C ATOM 0 H ALA A 69 58.234 -23.372 -21.174 1.00 63.43 H new ATOM 0 HA ALA A 69 59.089 -23.859 -18.458 1.00 14.25 H new ATOM 0 HB1 ALA A 69 61.142 -24.642 -19.586 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.683 -25.368 -20.300 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.515 -24.036 -21.137 1.00 43.25 H new ATOM 1007 N LYS A 70 61.191 -22.255 -18.325 1.00 44.04 N ATOM 1008 CA LYS A 70 62.011 -21.101 -17.960 1.00 2.40 C ATOM 1009 C LYS A 70 62.671 -20.486 -19.192 1.00 33.52 C ATOM 1010 O LYS A 70 62.867 -19.273 -19.264 1.00 53.10 O ATOM 1011 CB LYS A 70 63.079 -21.505 -16.936 1.00 2.20 C ATOM 1012 CG LYS A 70 62.502 -22.024 -15.628 1.00 4.42 C ATOM 1013 CD LYS A 70 63.593 -22.435 -14.648 1.00 65.43 C ATOM 1014 CE LYS A 70 64.413 -21.244 -14.180 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.490 -21.639 -13.233 1.00 61.24 N ATOM 0 H LYS A 70 61.483 -23.130 -17.889 1.00 44.04 H new ATOM 0 HA LYS A 70 61.357 -20.352 -17.512 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.717 -22.274 -17.373 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.714 -20.644 -16.727 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.879 -21.253 -15.175 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.855 -22.878 -15.830 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.141 -22.925 -13.786 1.00 65.43 H new ATOM 0 HD3 LYS A 70 64.250 -23.165 -15.121 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.855 -20.748 -15.044 1.00 20.30 H new ATOM 0 HE3 LYS A 70 63.756 -20.520 -13.698 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 65.795 -20.808 -12.688 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.131 -22.367 -12.583 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.298 -22.019 -13.766 1.00 61.24 H new ATOM 1029 N SER A 71 62.976 -21.325 -20.174 1.00 24.44 N ATOM 1030 CA SER A 71 63.620 -20.868 -21.398 1.00 74.02 C ATOM 1031 C SER A 71 62.692 -19.939 -22.188 1.00 74.23 C ATOM 1032 O SER A 71 63.137 -19.183 -23.053 1.00 30.43 O ATOM 1033 CB SER A 71 64.034 -22.070 -22.254 1.00 35.23 C ATOM 1034 OG SER A 71 64.926 -21.688 -23.293 1.00 35.24 O ATOM 0 H SER A 71 62.787 -22.327 -20.146 1.00 24.44 H new ATOM 0 HA SER A 71 64.513 -20.303 -21.130 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.509 -22.821 -21.623 1.00 35.23 H new ATOM 0 HB3 SER A 71 63.147 -22.533 -22.687 1.00 35.23 H new ATOM 0 HG SER A 71 65.172 -22.477 -23.819 1.00 35.24 H new ATOM 1040 N ASP A 72 61.404 -19.986 -21.873 1.00 22.41 N ATOM 1041 CA ASP A 72 60.421 -19.148 -22.545 1.00 53.55 C ATOM 1042 C ASP A 72 60.166 -17.875 -21.744 1.00 72.53 C ATOM 1043 O ASP A 72 59.180 -17.172 -21.972 1.00 51.33 O ATOM 1044 CB ASP A 72 59.110 -19.909 -22.757 1.00 31.01 C ATOM 1045 CG ASP A 72 59.269 -21.104 -23.678 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.285 -20.912 -24.915 1.00 20.11 O ATOM 1047 OD2 ASP A 72 59.369 -22.242 -23.173 1.00 14.24 O ATOM 0 H ASP A 72 61.016 -20.597 -21.155 1.00 22.41 H new ATOM 0 HA ASP A 72 60.822 -18.874 -23.521 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.731 -20.247 -21.793 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.365 -19.231 -23.173 1.00 31.01 H new ATOM 1052 N PHE A 73 61.049 -17.592 -20.795 1.00 54.42 N ATOM 1053 CA PHE A 73 60.998 -16.339 -20.056 1.00 32.03 C ATOM 1054 C PHE A 73 62.065 -15.382 -20.568 1.00 41.43 C ATOM 1055 O PHE A 73 63.103 -15.806 -21.077 1.00 33.41 O ATOM 1056 CB PHE A 73 61.201 -16.577 -18.556 1.00 12.00 C ATOM 1057 CG PHE A 73 59.999 -17.141 -17.852 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.728 -18.499 -17.885 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.145 -16.308 -17.149 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.626 -19.015 -17.230 1.00 43.50 C ATOM 1061 CE2 PHE A 73 58.043 -16.817 -16.491 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.784 -18.171 -16.533 1.00 32.20 C ATOM 0 H PHE A 73 61.809 -18.214 -20.519 1.00 54.42 H new ATOM 0 HA PHE A 73 60.012 -15.899 -20.209 1.00 32.03 H new ATOM 0 HB2 PHE A 73 62.041 -17.258 -18.418 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.475 -15.633 -18.084 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.385 -19.162 -18.429 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.343 -15.247 -17.115 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.424 -20.075 -17.263 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.386 -16.157 -15.945 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.922 -18.572 -16.020 1.00 32.20 H new ATOM 1072 N GLU A 74 61.798 -14.093 -20.434 1.00 11.30 N ATOM 1073 CA GLU A 74 62.754 -13.065 -20.806 1.00 71.52 C ATOM 1074 C GLU A 74 63.228 -12.345 -19.552 1.00 63.42 C ATOM 1075 O GLU A 74 62.430 -12.058 -18.653 1.00 24.10 O ATOM 1076 CB GLU A 74 62.121 -12.060 -21.782 1.00 55.11 C ATOM 1077 CG GLU A 74 60.953 -11.283 -21.187 1.00 15.31 C ATOM 1078 CD GLU A 74 60.394 -10.232 -22.123 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.102 -9.240 -22.403 1.00 33.13 O ATOM 1080 OE2 GLU A 74 59.237 -10.373 -22.560 1.00 22.12 O ATOM 0 H GLU A 74 60.918 -13.732 -20.066 1.00 11.30 H new ATOM 0 HA GLU A 74 63.603 -13.534 -21.304 1.00 71.52 H new ATOM 0 HB2 GLU A 74 62.885 -11.356 -22.111 1.00 55.11 H new ATOM 0 HB3 GLU A 74 61.777 -12.594 -22.668 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.159 -11.981 -20.920 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.278 -10.802 -20.264 1.00 15.31 H new ATOM 1087 N MET A 75 64.523 -12.086 -19.473 1.00 1.12 N ATOM 1088 CA MET A 75 65.080 -11.388 -18.327 1.00 0.12 C ATOM 1089 C MET A 75 64.730 -9.906 -18.390 1.00 41.40 C ATOM 1090 O MET A 75 65.262 -9.159 -19.210 1.00 64.03 O ATOM 1091 CB MET A 75 66.596 -11.575 -18.254 1.00 65.23 C ATOM 1092 CG MET A 75 67.215 -10.979 -16.999 1.00 22.24 C ATOM 1093 SD MET A 75 69.003 -11.204 -16.928 1.00 62.41 S ATOM 1094 CE MET A 75 69.122 -12.992 -16.884 1.00 41.21 C ATOM 0 H MET A 75 65.205 -12.347 -20.185 1.00 1.12 H new ATOM 0 HA MET A 75 64.643 -11.815 -17.424 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.826 -12.640 -18.294 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.054 -11.116 -19.130 1.00 65.23 H new ATOM 0 HG2 MET A 75 66.985 -9.914 -16.956 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.760 -11.439 -16.121 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.096 -13.282 -16.490 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.337 -13.393 -16.243 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.006 -13.389 -17.892 1.00 41.21 H new ATOM 1104 N VAL A 76 63.815 -9.500 -17.532 1.00 52.24 N ATOM 1105 CA VAL A 76 63.376 -8.121 -17.471 1.00 50.44 C ATOM 1106 C VAL A 76 64.163 -7.370 -16.412 1.00 33.40 C ATOM 1107 O VAL A 76 63.967 -7.568 -15.209 1.00 12.34 O ATOM 1108 CB VAL A 76 61.867 -8.011 -17.164 1.00 64.25 C ATOM 1109 CG1 VAL A 76 61.414 -6.562 -17.187 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.057 -8.838 -18.147 1.00 70.33 C ATOM 0 H VAL A 76 63.356 -10.115 -16.860 1.00 52.24 H new ATOM 0 HA VAL A 76 63.555 -7.678 -18.451 1.00 50.44 H new ATOM 0 HB VAL A 76 61.697 -8.405 -16.162 1.00 64.25 H new ATOM 0 HG11 VAL A 76 60.347 -6.511 -16.968 1.00 52.34 H new ATOM 0 HG12 VAL A 76 61.966 -5.996 -16.437 1.00 52.34 H new ATOM 0 HG13 VAL A 76 61.603 -6.137 -18.173 1.00 52.34 H new ATOM 0 HG21 VAL A 76 59.996 -8.746 -17.912 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.237 -8.478 -19.160 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.355 -9.884 -18.075 1.00 70.33 H new