USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 581 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 Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.859 K(o=-0.86,f=-3.7!) USER MOD Single : A 39 MET CE :methyl -127:sc= -0.235 (180deg=-1.94!) USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= -0.0623 (180deg=-0.397) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0907 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 56 TYR OH : rot 60:sc= -0.704 USER MOD Single : A 57 CYS SG : rot 93:sc= -0.213 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.595 K(o=-0.6,f=-2.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 79 THR OG1 : rot -43:sc= 0.0391 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -134:sc= -1.34! USER MOD Single : A 87 MET CE :methyl 171:sc= 0 (180deg=-0.00839) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 41.741 -9.173 23.102 1.00 1.11 N ATOM 299 CA ALA A 25 41.776 -7.784 23.544 1.00 62.32 C ATOM 300 C ALA A 25 40.379 -7.173 23.546 1.00 31.52 C ATOM 301 O ALA A 25 39.450 -7.721 22.951 1.00 51.23 O ATOM 302 CB ALA A 25 42.708 -6.972 22.657 1.00 50.31 C ATOM 0 HA ALA A 25 42.154 -7.763 24.566 1.00 62.32 H new ATOM 0 HB1 ALA A 25 42.725 -5.937 22.998 1.00 50.31 H new ATOM 0 HB2 ALA A 25 43.714 -7.388 22.710 1.00 50.31 H new ATOM 0 HB3 ALA A 25 42.354 -7.009 21.627 1.00 50.31 H new ATOM 308 N LEU A 26 40.236 -6.037 24.220 1.00 62.52 N ATOM 309 CA LEU A 26 38.951 -5.352 24.300 1.00 0.03 C ATOM 310 C LEU A 26 39.098 -3.876 23.945 1.00 72.04 C ATOM 311 O LEU A 26 39.953 -3.177 24.489 1.00 61.51 O ATOM 312 CB LEU A 26 38.362 -5.494 25.705 1.00 3.30 C ATOM 313 CG LEU A 26 36.998 -4.840 25.930 1.00 23.22 C ATOM 314 CD1 LEU A 26 35.920 -5.573 25.147 1.00 13.43 C ATOM 315 CD2 LEU A 26 36.658 -4.813 27.413 1.00 22.32 C ATOM 0 H LEU A 26 40.994 -5.571 24.719 1.00 62.52 H new ATOM 0 HA LEU A 26 38.275 -5.814 23.581 1.00 0.03 H new ATOM 0 HB2 LEU A 26 38.276 -6.556 25.936 1.00 3.30 H new ATOM 0 HB3 LEU A 26 39.068 -5.069 26.418 1.00 3.30 H new ATOM 0 HG LEU A 26 37.045 -3.812 25.570 1.00 23.22 H new ATOM 0 HD11 LEU A 26 34.956 -5.094 25.319 1.00 13.43 H new ATOM 0 HD12 LEU A 26 36.157 -5.540 24.084 1.00 13.43 H new ATOM 0 HD13 LEU A 26 35.873 -6.611 25.476 1.00 13.43 H new ATOM 0 HD21 LEU A 26 35.684 -4.344 27.555 1.00 22.32 H new ATOM 0 HD22 LEU A 26 36.630 -5.832 27.798 1.00 22.32 H new ATOM 0 HD23 LEU A 26 37.416 -4.243 27.950 1.00 22.32 H new ATOM 327 N VAL A 27 38.256 -3.407 23.029 1.00 43.41 N ATOM 328 CA VAL A 27 38.290 -2.013 22.603 1.00 51.32 C ATOM 329 C VAL A 27 36.890 -1.410 22.585 1.00 11.41 C ATOM 330 O VAL A 27 35.951 -2.011 22.064 1.00 14.54 O ATOM 331 CB VAL A 27 38.917 -1.869 21.203 1.00 12.43 C ATOM 332 CG1 VAL A 27 38.293 -0.699 20.456 1.00 21.44 C ATOM 333 CG2 VAL A 27 40.425 -1.700 21.310 1.00 32.12 C ATOM 0 H VAL A 27 37.543 -3.972 22.568 1.00 43.41 H new ATOM 0 HA VAL A 27 38.905 -1.476 23.325 1.00 51.32 H new ATOM 0 HB VAL A 27 38.715 -2.779 20.638 1.00 12.43 H new ATOM 0 HG11 VAL A 27 38.748 -0.613 19.469 1.00 21.44 H new ATOM 0 HG12 VAL A 27 37.221 -0.866 20.348 1.00 21.44 H new ATOM 0 HG13 VAL A 27 38.462 0.221 21.015 1.00 21.44 H new ATOM 0 HG21 VAL A 27 40.852 -1.600 20.312 1.00 32.12 H new ATOM 0 HG22 VAL A 27 40.651 -0.807 21.892 1.00 32.12 H new ATOM 0 HG23 VAL A 27 40.855 -2.572 21.802 1.00 32.12 H new ATOM 343 N ALA A 28 36.758 -0.217 23.157 1.00 31.43 N ATOM 344 CA ALA A 28 35.473 0.469 23.205 1.00 32.02 C ATOM 345 C ALA A 28 35.263 1.329 21.964 1.00 42.05 C ATOM 346 O ALA A 28 36.173 2.031 21.522 1.00 52.15 O ATOM 347 CB ALA A 28 35.376 1.321 24.462 1.00 30.22 C ATOM 0 H ALA A 28 37.525 0.294 23.593 1.00 31.43 H new ATOM 0 HA ALA A 28 34.687 -0.286 23.229 1.00 32.02 H new ATOM 0 HB1 ALA A 28 34.411 1.828 24.485 1.00 30.22 H new ATOM 0 HB2 ALA A 28 35.472 0.684 25.341 1.00 30.22 H new ATOM 0 HB3 ALA A 28 36.175 2.062 24.462 1.00 30.22 H new ATOM 353 N VAL A 29 34.059 1.269 21.404 1.00 11.11 N ATOM 354 CA VAL A 29 33.730 2.043 20.213 1.00 32.01 C ATOM 355 C VAL A 29 32.614 3.042 20.498 1.00 43.41 C ATOM 356 O VAL A 29 31.698 2.764 21.272 1.00 62.31 O ATOM 357 CB VAL A 29 33.300 1.128 19.050 1.00 3.55 C ATOM 358 CG1 VAL A 29 32.932 1.956 17.828 1.00 30.33 C ATOM 359 CG2 VAL A 29 34.403 0.135 18.719 1.00 24.23 C ATOM 0 H VAL A 29 33.295 0.692 21.756 1.00 11.11 H new ATOM 0 HA VAL A 29 34.633 2.583 19.927 1.00 32.01 H new ATOM 0 HB VAL A 29 32.418 0.567 19.358 1.00 3.55 H new ATOM 0 HG11 VAL A 29 32.631 1.293 17.017 1.00 30.33 H new ATOM 0 HG12 VAL A 29 32.107 2.624 18.076 1.00 30.33 H new ATOM 0 HG13 VAL A 29 33.794 2.545 17.514 1.00 30.33 H new ATOM 0 HG21 VAL A 29 34.083 -0.503 17.896 1.00 24.23 H new ATOM 0 HG22 VAL A 29 35.304 0.675 18.430 1.00 24.23 H new ATOM 0 HG23 VAL A 29 34.614 -0.480 19.594 1.00 24.23 H new ATOM 369 N LYS A 30 32.697 4.209 19.867 1.00 61.32 N ATOM 370 CA LYS A 30 31.694 5.251 20.050 1.00 41.12 C ATOM 371 C LYS A 30 31.351 5.916 18.720 1.00 22.53 C ATOM 372 O LYS A 30 32.169 6.632 18.144 1.00 45.04 O ATOM 373 CB LYS A 30 32.196 6.302 21.043 1.00 61.23 C ATOM 374 CG LYS A 30 31.142 7.325 21.430 1.00 24.35 C ATOM 375 CD LYS A 30 31.350 7.829 22.849 1.00 43.45 C ATOM 376 CE LYS A 30 31.100 9.326 22.950 1.00 54.22 C ATOM 377 NZ LYS A 30 30.210 9.663 24.095 1.00 14.32 N ATOM 0 H LYS A 30 33.449 4.456 19.224 1.00 61.32 H new ATOM 0 HA LYS A 30 30.792 4.786 20.447 1.00 41.12 H new ATOM 0 HB2 LYS A 30 32.550 5.799 21.943 1.00 61.23 H new ATOM 0 HB3 LYS A 30 33.051 6.820 20.609 1.00 61.23 H new ATOM 0 HG2 LYS A 30 31.176 8.165 20.736 1.00 24.35 H new ATOM 0 HG3 LYS A 30 30.151 6.879 21.343 1.00 24.35 H new ATOM 0 HD2 LYS A 30 30.679 7.300 23.526 1.00 43.45 H new ATOM 0 HD3 LYS A 30 32.368 7.606 23.170 1.00 43.45 H new ATOM 0 HE2 LYS A 30 32.051 9.846 23.064 1.00 54.22 H new ATOM 0 HE3 LYS A 30 30.650 9.683 22.023 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 30.064 10.692 24.130 1.00 14.32 H new ATOM 0 HZ2 LYS A 30 29.293 9.187 23.974 1.00 14.32 H new ATOM 0 HZ3 LYS A 30 30.650 9.346 24.982 1.00 14.32 H new ATOM 391 N VAL A 31 30.136 5.674 18.239 1.00 14.24 N ATOM 392 CA VAL A 31 29.684 6.251 16.979 1.00 14.52 C ATOM 393 C VAL A 31 28.737 7.422 17.219 1.00 34.21 C ATOM 394 O VAL A 31 27.773 7.309 17.977 1.00 53.44 O ATOM 395 CB VAL A 31 28.973 5.202 16.104 1.00 64.22 C ATOM 396 CG1 VAL A 31 27.734 4.670 16.807 1.00 23.44 C ATOM 397 CG2 VAL A 31 28.615 5.793 14.749 1.00 54.20 C ATOM 0 H VAL A 31 29.447 5.082 18.703 1.00 14.24 H new ATOM 0 HA VAL A 31 30.573 6.607 16.457 1.00 14.52 H new ATOM 0 HB VAL A 31 29.655 4.367 15.942 1.00 64.22 H new ATOM 0 HG11 VAL A 31 27.245 3.930 16.173 1.00 23.44 H new ATOM 0 HG12 VAL A 31 28.022 4.206 17.750 1.00 23.44 H new ATOM 0 HG13 VAL A 31 27.045 5.492 17.002 1.00 23.44 H new ATOM 0 HG21 VAL A 31 28.113 5.038 14.144 1.00 54.20 H new ATOM 0 HG22 VAL A 31 27.951 6.646 14.888 1.00 54.20 H new ATOM 0 HG23 VAL A 31 29.524 6.119 14.243 1.00 54.20 H new ATOM 407 N VAL A 32 29.017 8.546 16.568 1.00 3.20 N ATOM 408 CA VAL A 32 28.190 9.738 16.709 1.00 54.31 C ATOM 409 C VAL A 32 27.727 10.250 15.349 1.00 21.13 C ATOM 410 O VAL A 32 28.357 9.982 14.327 1.00 33.10 O ATOM 411 CB VAL A 32 28.946 10.864 17.439 1.00 64.05 C ATOM 412 CG1 VAL A 32 29.447 10.381 18.791 1.00 12.55 C ATOM 413 CG2 VAL A 32 30.099 11.371 16.585 1.00 54.34 C ATOM 0 H VAL A 32 29.811 8.656 15.937 1.00 3.20 H new ATOM 0 HA VAL A 32 27.321 9.451 17.301 1.00 54.31 H new ATOM 0 HB VAL A 32 28.257 11.691 17.608 1.00 64.05 H new ATOM 0 HG11 VAL A 32 29.979 11.190 19.292 1.00 12.55 H new ATOM 0 HG12 VAL A 32 28.600 10.069 19.403 1.00 12.55 H new ATOM 0 HG13 VAL A 32 30.122 9.537 18.649 1.00 12.55 H new ATOM 0 HG21 VAL A 32 30.623 12.166 17.116 1.00 54.34 H new ATOM 0 HG22 VAL A 32 30.790 10.553 16.384 1.00 54.34 H new ATOM 0 HG23 VAL A 32 29.711 11.758 15.643 1.00 54.34 H new ATOM 423 N ASN A 33 26.622 10.989 15.346 1.00 64.12 N ATOM 424 CA ASN A 33 26.075 11.539 14.111 1.00 33.01 C ATOM 425 C ASN A 33 25.778 13.028 14.263 1.00 20.24 C ATOM 426 O ASN A 33 25.521 13.510 15.366 1.00 54.11 O ATOM 427 CB ASN A 33 24.799 10.791 13.717 1.00 45.12 C ATOM 428 CG ASN A 33 24.285 11.205 12.352 1.00 42.15 C ATOM 429 OD1 ASN A 33 25.044 11.685 11.509 1.00 23.52 O ATOM 430 ND2 ASN A 33 22.989 11.022 12.127 1.00 23.50 N ATOM 0 H ASN A 33 26.088 11.220 16.184 1.00 64.12 H new ATOM 0 HA ASN A 33 26.820 11.414 13.325 1.00 33.01 H new ATOM 0 HB2 ASN A 33 24.994 9.719 13.719 1.00 45.12 H new ATOM 0 HB3 ASN A 33 24.027 10.976 14.464 1.00 45.12 H new ATOM 0 HD21 ASN A 33 22.586 11.283 11.227 1.00 23.50 H new ATOM 0 HD22 ASN A 33 22.397 10.621 12.854 1.00 23.50 H new ATOM 437 N ALA A 34 25.816 13.750 13.148 1.00 13.15 N ATOM 438 CA ALA A 34 25.548 15.183 13.157 1.00 24.12 C ATOM 439 C ALA A 34 24.125 15.473 13.622 1.00 5.15 C ATOM 440 O ALA A 34 23.834 16.562 14.119 1.00 63.43 O ATOM 441 CB ALA A 34 25.784 15.772 11.774 1.00 1.23 C ATOM 0 H ALA A 34 26.030 13.366 12.227 1.00 13.15 H new ATOM 0 HA ALA A 34 26.235 15.652 13.862 1.00 24.12 H new ATOM 0 HB1 ALA A 34 25.580 16.843 11.795 1.00 1.23 H new ATOM 0 HB2 ALA A 34 26.820 15.606 11.480 1.00 1.23 H new ATOM 0 HB3 ALA A 34 25.121 15.290 11.055 1.00 1.23 H new ATOM 447 N ASP A 35 23.243 14.494 13.458 1.00 22.34 N ATOM 448 CA ASP A 35 21.850 14.644 13.862 1.00 11.11 C ATOM 449 C ASP A 35 21.695 14.441 15.366 1.00 1.21 C ATOM 450 O ASP A 35 20.755 14.948 15.978 1.00 65.24 O ATOM 451 CB ASP A 35 20.968 13.649 13.107 1.00 34.21 C ATOM 452 CG ASP A 35 19.964 14.336 12.202 1.00 62.44 C ATOM 453 OD1 ASP A 35 20.349 14.728 11.080 1.00 31.04 O ATOM 454 OD2 ASP A 35 18.794 14.481 12.614 1.00 4.44 O ATOM 0 H ASP A 35 23.468 13.588 13.048 1.00 22.34 H new ATOM 0 HA ASP A 35 21.533 15.658 13.616 1.00 11.11 H new ATOM 0 HB2 ASP A 35 21.598 12.989 12.511 1.00 34.21 H new ATOM 0 HB3 ASP A 35 20.437 13.022 13.823 1.00 34.21 H new ATOM 459 N GLY A 36 22.624 13.695 15.956 1.00 0.04 N ATOM 460 CA GLY A 36 22.572 13.437 17.384 1.00 52.14 C ATOM 461 C GLY A 36 22.648 11.959 17.709 1.00 63.53 C ATOM 462 O GLY A 36 23.228 11.568 18.722 1.00 40.15 O ATOM 0 H GLY A 36 23.412 13.265 15.471 1.00 0.04 H new ATOM 0 HA2 GLY A 36 23.395 13.956 17.874 1.00 52.14 H new ATOM 0 HA3 GLY A 36 21.648 13.848 17.791 1.00 52.14 H new ATOM 466 N ALA A 37 22.060 11.134 16.848 1.00 24.22 N ATOM 467 CA ALA A 37 22.065 9.690 17.049 1.00 51.11 C ATOM 468 C ALA A 37 23.479 9.174 17.293 1.00 40.21 C ATOM 469 O ALA A 37 24.369 9.361 16.464 1.00 74.35 O ATOM 470 CB ALA A 37 21.445 8.989 15.850 1.00 74.43 C ATOM 0 H ALA A 37 21.574 11.441 16.005 1.00 24.22 H new ATOM 0 HA ALA A 37 21.469 9.469 17.934 1.00 51.11 H new ATOM 0 HB1 ALA A 37 21.455 7.911 16.013 1.00 74.43 H new ATOM 0 HB2 ALA A 37 20.417 9.327 15.723 1.00 74.43 H new ATOM 0 HB3 ALA A 37 22.018 9.226 14.954 1.00 74.43 H new ATOM 476 N GLU A 38 23.678 8.526 18.436 1.00 25.31 N ATOM 477 CA GLU A 38 24.986 7.985 18.789 1.00 71.34 C ATOM 478 C GLU A 38 24.846 6.803 19.745 1.00 42.54 C ATOM 479 O GLU A 38 23.791 6.598 20.343 1.00 20.24 O ATOM 480 CB GLU A 38 25.857 9.070 19.425 1.00 32.12 C ATOM 481 CG GLU A 38 25.325 9.573 20.757 1.00 44.54 C ATOM 482 CD GLU A 38 25.873 10.939 21.124 1.00 31.14 C ATOM 483 OE1 GLU A 38 27.111 11.105 21.108 1.00 13.12 O ATOM 484 OE2 GLU A 38 25.065 11.841 21.429 1.00 74.44 O ATOM 0 H GLU A 38 22.951 8.363 19.133 1.00 25.31 H new ATOM 0 HA GLU A 38 25.465 7.635 17.874 1.00 71.34 H new ATOM 0 HB2 GLU A 38 26.864 8.678 19.570 1.00 32.12 H new ATOM 0 HB3 GLU A 38 25.938 9.910 18.735 1.00 32.12 H new ATOM 0 HG2 GLU A 38 24.237 9.621 20.715 1.00 44.54 H new ATOM 0 HG3 GLU A 38 25.582 8.860 21.540 1.00 44.54 H new ATOM 491 N MET A 39 25.919 6.030 19.881 1.00 14.42 N ATOM 492 CA MET A 39 25.916 4.870 20.764 1.00 1.05 C ATOM 493 C MET A 39 27.328 4.321 20.945 1.00 72.15 C ATOM 494 O MET A 39 28.132 4.332 20.013 1.00 44.13 O ATOM 495 CB MET A 39 24.999 3.780 20.207 1.00 64.44 C ATOM 496 CG MET A 39 25.497 3.175 18.903 1.00 11.55 C ATOM 497 SD MET A 39 24.547 1.728 18.402 1.00 75.33 S ATOM 498 CE MET A 39 25.843 0.499 18.274 1.00 25.11 C ATOM 0 H MET A 39 26.800 6.186 19.392 1.00 14.42 H new ATOM 0 HA MET A 39 25.541 5.186 21.737 1.00 1.05 H new ATOM 0 HB2 MET A 39 24.896 2.989 20.949 1.00 64.44 H new ATOM 0 HB3 MET A 39 24.005 4.199 20.048 1.00 64.44 H new ATOM 0 HG2 MET A 39 25.448 3.927 18.116 1.00 11.55 H new ATOM 0 HG3 MET A 39 26.545 2.897 19.013 1.00 11.55 H new ATOM 0 HE1 MET A 39 25.800 0.025 17.293 1.00 25.11 H new ATOM 0 HE2 MET A 39 26.813 0.979 18.403 1.00 25.11 H new ATOM 0 HE3 MET A 39 25.706 -0.256 19.048 1.00 25.11 H new ATOM 508 N PHE A 40 27.622 3.841 22.148 1.00 2.13 N ATOM 509 CA PHE A 40 28.938 3.289 22.450 1.00 34.24 C ATOM 510 C PHE A 40 28.815 1.900 23.072 1.00 51.53 C ATOM 511 O PHE A 40 27.862 1.615 23.798 1.00 64.24 O ATOM 512 CB PHE A 40 29.699 4.218 23.398 1.00 41.33 C ATOM 513 CG PHE A 40 29.056 4.356 24.748 1.00 21.31 C ATOM 514 CD1 PHE A 40 27.972 5.199 24.931 1.00 2.32 C ATOM 515 CD2 PHE A 40 29.535 3.641 25.834 1.00 10.11 C ATOM 516 CE1 PHE A 40 27.379 5.328 26.173 1.00 43.11 C ATOM 517 CE2 PHE A 40 28.946 3.766 27.078 1.00 32.53 C ATOM 518 CZ PHE A 40 27.866 4.609 27.247 1.00 12.55 C ATOM 0 H PHE A 40 26.967 3.823 22.930 1.00 2.13 H new ATOM 0 HA PHE A 40 29.491 3.202 21.515 1.00 34.24 H new ATOM 0 HB2 PHE A 40 30.714 3.842 23.525 1.00 41.33 H new ATOM 0 HB3 PHE A 40 29.779 5.204 22.940 1.00 41.33 H new ATOM 0 HD1 PHE A 40 27.586 5.762 24.094 1.00 2.32 H new ATOM 0 HD2 PHE A 40 30.378 2.978 25.707 1.00 10.11 H new ATOM 0 HE1 PHE A 40 26.536 5.990 26.303 1.00 43.11 H new ATOM 0 HE2 PHE A 40 29.330 3.205 27.917 1.00 32.53 H new ATOM 0 HZ PHE A 40 27.403 4.706 28.218 1.00 12.55 H new ATOM 528 N PHE A 41 29.785 1.041 22.781 1.00 65.35 N ATOM 529 CA PHE A 41 29.786 -0.319 23.309 1.00 45.45 C ATOM 530 C PHE A 41 31.189 -0.917 23.267 1.00 65.21 C ATOM 531 O PHE A 41 31.982 -0.607 22.377 1.00 31.32 O ATOM 532 CB PHE A 41 28.821 -1.198 22.512 1.00 34.42 C ATOM 533 CG PHE A 41 27.404 -1.133 23.007 1.00 71.40 C ATOM 534 CD1 PHE A 41 27.075 -1.597 24.271 1.00 64.14 C ATOM 535 CD2 PHE A 41 26.401 -0.609 22.208 1.00 14.11 C ATOM 536 CE1 PHE A 41 25.773 -1.538 24.729 1.00 33.41 C ATOM 537 CE2 PHE A 41 25.096 -0.547 22.661 1.00 24.23 C ATOM 538 CZ PHE A 41 24.782 -1.014 23.923 1.00 52.42 C ATOM 0 H PHE A 41 30.581 1.262 22.182 1.00 65.35 H new ATOM 0 HA PHE A 41 29.458 -0.280 24.348 1.00 45.45 H new ATOM 0 HB2 PHE A 41 28.846 -0.895 21.465 1.00 34.42 H new ATOM 0 HB3 PHE A 41 29.165 -2.231 22.553 1.00 34.42 H new ATOM 0 HD1 PHE A 41 27.846 -2.010 24.905 1.00 64.14 H new ATOM 0 HD2 PHE A 41 26.641 -0.245 21.220 1.00 14.11 H new ATOM 0 HE1 PHE A 41 25.531 -1.901 25.717 1.00 33.41 H new ATOM 0 HE2 PHE A 41 24.323 -0.134 22.029 1.00 24.23 H new ATOM 0 HZ PHE A 41 23.763 -0.969 24.278 1.00 52.42 H new ATOM 548 N ARG A 42 31.489 -1.776 24.236 1.00 11.21 N ATOM 549 CA ARG A 42 32.796 -2.417 24.312 1.00 42.20 C ATOM 550 C ARG A 42 32.796 -3.743 23.558 1.00 32.52 C ATOM 551 O ARG A 42 32.027 -4.650 23.878 1.00 33.25 O ATOM 552 CB ARG A 42 33.191 -2.648 25.772 1.00 53.41 C ATOM 553 CG ARG A 42 32.225 -3.544 26.529 1.00 32.04 C ATOM 554 CD ARG A 42 32.520 -3.546 28.021 1.00 13.32 C ATOM 555 NE ARG A 42 32.607 -4.900 28.560 1.00 23.22 N ATOM 556 CZ ARG A 42 32.583 -5.177 29.859 1.00 34.22 C ATOM 557 NH1 ARG A 42 32.473 -4.199 30.747 1.00 11.21 N ATOM 558 NH2 ARG A 42 32.667 -6.435 30.272 1.00 20.42 N ATOM 0 H ARG A 42 30.844 -2.044 24.979 1.00 11.21 H new ATOM 0 HA ARG A 42 33.525 -1.754 23.846 1.00 42.20 H new ATOM 0 HB2 ARG A 42 34.186 -3.091 25.805 1.00 53.41 H new ATOM 0 HB3 ARG A 42 33.254 -1.685 26.279 1.00 53.41 H new ATOM 0 HG2 ARG A 42 31.203 -3.205 26.359 1.00 32.04 H new ATOM 0 HG3 ARG A 42 32.291 -4.561 26.142 1.00 32.04 H new ATOM 0 HD2 ARG A 42 33.457 -3.021 28.206 1.00 13.32 H new ATOM 0 HD3 ARG A 42 31.738 -2.997 28.546 1.00 13.32 H new ATOM 0 HE ARG A 42 32.691 -5.676 27.903 1.00 23.22 H new ATOM 0 HH11 ARG A 42 32.406 -3.231 30.434 1.00 11.21 H new ATOM 0 HH12 ARG A 42 32.455 -4.415 31.744 1.00 11.21 H new ATOM 0 HH21 ARG A 42 32.750 -7.191 29.592 1.00 20.42 H new ATOM 0 HH22 ARG A 42 32.648 -6.647 31.270 1.00 20.42 H new ATOM 572 N ILE A 43 33.662 -3.849 22.556 1.00 11.21 N ATOM 573 CA ILE A 43 33.761 -5.064 21.758 1.00 64.33 C ATOM 574 C ILE A 43 35.213 -5.376 21.410 1.00 70.13 C ATOM 575 O ILE A 43 36.055 -4.480 21.349 1.00 1.12 O ATOM 576 CB ILE A 43 32.946 -4.951 20.456 1.00 21.20 C ATOM 577 CG1 ILE A 43 31.546 -4.410 20.751 1.00 12.21 C ATOM 578 CG2 ILE A 43 32.862 -6.304 19.764 1.00 2.44 C ATOM 579 CD1 ILE A 43 31.455 -2.901 20.687 1.00 24.24 C ATOM 0 H ILE A 43 34.305 -3.108 22.278 1.00 11.21 H new ATOM 0 HA ILE A 43 33.352 -5.873 22.363 1.00 64.33 H new ATOM 0 HB ILE A 43 33.451 -4.254 19.788 1.00 21.20 H new ATOM 0 HG12 ILE A 43 30.842 -4.839 20.038 1.00 12.21 H new ATOM 0 HG13 ILE A 43 31.238 -4.743 21.742 1.00 12.21 H new ATOM 0 HG21 ILE A 43 32.283 -6.208 18.846 1.00 2.44 H new ATOM 0 HG22 ILE A 43 33.866 -6.653 19.525 1.00 2.44 H new ATOM 0 HG23 ILE A 43 32.376 -7.021 20.425 1.00 2.44 H new ATOM 0 HD11 ILE A 43 30.434 -2.588 20.907 1.00 24.24 H new ATOM 0 HD12 ILE A 43 32.134 -2.464 21.419 1.00 24.24 H new ATOM 0 HD13 ILE A 43 31.731 -2.562 19.689 1.00 24.24 H new ATOM 591 N LYS A 44 35.499 -6.653 21.180 1.00 63.03 N ATOM 592 CA LYS A 44 36.848 -7.085 20.834 1.00 3.10 C ATOM 593 C LYS A 44 37.366 -6.329 19.615 1.00 50.15 C ATOM 594 O LYS A 44 36.665 -6.196 18.611 1.00 10.45 O ATOM 595 CB LYS A 44 36.870 -8.591 20.561 1.00 53.51 C ATOM 596 CG LYS A 44 38.235 -9.226 20.762 1.00 54.23 C ATOM 597 CD LYS A 44 38.473 -10.359 19.777 1.00 12.52 C ATOM 598 CE LYS A 44 38.539 -11.705 20.482 1.00 54.21 C ATOM 599 NZ LYS A 44 37.328 -11.956 21.312 1.00 22.11 N ATOM 0 H LYS A 44 34.814 -7.407 21.227 1.00 63.03 H new ATOM 0 HA LYS A 44 37.500 -6.866 21.679 1.00 3.10 H new ATOM 0 HB2 LYS A 44 36.151 -9.081 21.217 1.00 53.51 H new ATOM 0 HB3 LYS A 44 36.542 -8.771 19.537 1.00 53.51 H new ATOM 0 HG2 LYS A 44 39.011 -8.469 20.642 1.00 54.23 H new ATOM 0 HG3 LYS A 44 38.314 -9.605 21.781 1.00 54.23 H new ATOM 0 HD2 LYS A 44 37.673 -10.373 19.037 1.00 12.52 H new ATOM 0 HD3 LYS A 44 39.403 -10.184 19.237 1.00 12.52 H new ATOM 0 HE2 LYS A 44 38.643 -12.498 19.742 1.00 54.21 H new ATOM 0 HE3 LYS A 44 39.426 -11.741 21.114 1.00 54.21 H new ATOM 0 HZ1 LYS A 44 37.172 -12.981 21.398 1.00 22.11 H new ATOM 0 HZ2 LYS A 44 37.464 -11.546 22.258 1.00 22.11 H new ATOM 0 HZ3 LYS A 44 36.500 -11.517 20.860 1.00 22.11 H new ATOM 613 N SER A 45 38.597 -5.837 19.707 1.00 24.24 N ATOM 614 CA SER A 45 39.208 -5.093 18.612 1.00 12.42 C ATOM 615 C SER A 45 39.094 -5.864 17.301 1.00 54.01 C ATOM 616 O SER A 45 38.993 -5.272 16.226 1.00 12.44 O ATOM 617 CB SER A 45 40.678 -4.804 18.921 1.00 41.01 C ATOM 618 OG SER A 45 40.902 -4.734 20.318 1.00 33.35 O ATOM 0 H SER A 45 39.191 -5.940 20.529 1.00 24.24 H new ATOM 0 HA SER A 45 38.674 -4.149 18.505 1.00 12.42 H new ATOM 0 HB2 SER A 45 41.304 -5.584 18.488 1.00 41.01 H new ATOM 0 HB3 SER A 45 40.973 -3.864 18.455 1.00 41.01 H new ATOM 0 HG SER A 45 41.849 -4.550 20.489 1.00 33.35 H new ATOM 624 N ARG A 46 39.110 -7.189 17.398 1.00 63.31 N ATOM 625 CA ARG A 46 39.010 -8.043 16.220 1.00 10.13 C ATOM 626 C ARG A 46 37.805 -7.654 15.368 1.00 25.20 C ATOM 627 O ARG A 46 37.818 -7.812 14.147 1.00 74.43 O ATOM 628 CB ARG A 46 38.901 -9.511 16.636 1.00 25.11 C ATOM 629 CG ARG A 46 38.878 -10.476 15.462 1.00 34.43 C ATOM 630 CD ARG A 46 40.073 -10.268 14.545 1.00 32.35 C ATOM 631 NE ARG A 46 40.211 -11.349 13.573 1.00 41.34 N ATOM 632 CZ ARG A 46 41.322 -11.578 12.882 1.00 43.33 C ATOM 633 NH1 ARG A 46 42.386 -10.806 13.056 1.00 22.12 N ATOM 634 NH2 ARG A 46 41.371 -12.581 12.014 1.00 12.34 N ATOM 0 H ARG A 46 39.191 -7.695 18.280 1.00 63.31 H new ATOM 0 HA ARG A 46 39.913 -7.907 15.625 1.00 10.13 H new ATOM 0 HB2 ARG A 46 39.742 -9.760 17.284 1.00 25.11 H new ATOM 0 HB3 ARG A 46 37.994 -9.647 17.225 1.00 25.11 H new ATOM 0 HG2 ARG A 46 38.877 -11.501 15.832 1.00 34.43 H new ATOM 0 HG3 ARG A 46 37.956 -10.340 14.896 1.00 34.43 H new ATOM 0 HD2 ARG A 46 39.966 -9.319 14.019 1.00 32.35 H new ATOM 0 HD3 ARG A 46 40.982 -10.200 15.143 1.00 32.35 H new ATOM 0 HE ARG A 46 39.411 -11.962 13.416 1.00 41.34 H new ATOM 0 HH11 ARG A 46 42.353 -10.034 13.722 1.00 22.12 H new ATOM 0 HH12 ARG A 46 43.238 -10.984 12.524 1.00 22.12 H new ATOM 0 HH21 ARG A 46 40.555 -13.177 11.877 1.00 12.34 H new ATOM 0 HH22 ARG A 46 42.225 -12.756 11.484 1.00 12.34 H new ATOM 648 N THR A 47 36.765 -7.145 16.020 1.00 10.13 N ATOM 649 CA THR A 47 35.552 -6.735 15.324 1.00 62.24 C ATOM 650 C THR A 47 34.780 -5.696 16.129 1.00 70.33 C ATOM 651 O THR A 47 34.459 -5.915 17.296 1.00 22.14 O ATOM 652 CB THR A 47 34.632 -7.938 15.043 1.00 60.22 C ATOM 653 OG1 THR A 47 35.417 -9.086 14.701 1.00 31.13 O ATOM 654 CG2 THR A 47 33.663 -7.626 13.913 1.00 53.12 C ATOM 0 H THR A 47 36.738 -7.007 17.030 1.00 10.13 H new ATOM 0 HA THR A 47 35.864 -6.297 14.376 1.00 62.24 H new ATOM 0 HB THR A 47 34.058 -8.146 15.946 1.00 60.22 H new ATOM 0 HG1 THR A 47 34.825 -9.847 14.525 1.00 31.13 H new ATOM 0 HG21 THR A 47 33.024 -8.490 13.733 1.00 53.12 H new ATOM 0 HG22 THR A 47 33.047 -6.770 14.188 1.00 53.12 H new ATOM 0 HG23 THR A 47 34.223 -7.394 13.007 1.00 53.12 H new ATOM 662 N ALA A 48 34.484 -4.565 15.497 1.00 73.33 N ATOM 663 CA ALA A 48 33.746 -3.494 16.154 1.00 43.51 C ATOM 664 C ALA A 48 33.120 -2.551 15.132 1.00 41.02 C ATOM 665 O ALA A 48 31.904 -2.353 15.118 1.00 44.32 O ATOM 666 CB ALA A 48 34.661 -2.723 17.094 1.00 2.03 C ATOM 0 H ALA A 48 34.744 -4.367 14.531 1.00 73.33 H new ATOM 0 HA ALA A 48 32.941 -3.944 16.735 1.00 43.51 H new ATOM 0 HB1 ALA A 48 34.097 -1.926 17.578 1.00 2.03 H new ATOM 0 HB2 ALA A 48 35.057 -3.399 17.852 1.00 2.03 H new ATOM 0 HB3 ALA A 48 35.485 -2.291 16.526 1.00 2.03 H new ATOM 672 N LEU A 49 33.957 -1.972 14.278 1.00 13.50 N ATOM 673 CA LEU A 49 33.485 -1.048 13.252 1.00 71.32 C ATOM 674 C LEU A 49 32.557 -1.755 12.269 1.00 42.14 C ATOM 675 O LEU A 49 31.671 -1.136 11.679 1.00 3.41 O ATOM 676 CB LEU A 49 34.671 -0.438 12.503 1.00 52.11 C ATOM 677 CG LEU A 49 34.734 1.090 12.476 1.00 35.34 C ATOM 678 CD1 LEU A 49 33.389 1.672 12.069 1.00 10.23 C ATOM 679 CD2 LEU A 49 35.162 1.629 13.833 1.00 11.52 C ATOM 0 H LEU A 49 34.965 -2.126 14.275 1.00 13.50 H new ATOM 0 HA LEU A 49 32.926 -0.252 13.743 1.00 71.32 H new ATOM 0 HB2 LEU A 49 35.591 -0.812 12.953 1.00 52.11 H new ATOM 0 HB3 LEU A 49 34.650 -0.799 11.475 1.00 52.11 H new ATOM 0 HG LEU A 49 35.476 1.392 11.737 1.00 35.34 H new ATOM 0 HD11 LEU A 49 33.453 2.760 12.055 1.00 10.23 H new ATOM 0 HD12 LEU A 49 33.122 1.311 11.076 1.00 10.23 H new ATOM 0 HD13 LEU A 49 32.627 1.362 12.784 1.00 10.23 H new ATOM 0 HD21 LEU A 49 35.202 2.718 13.796 1.00 11.52 H new ATOM 0 HD22 LEU A 49 34.444 1.318 14.591 1.00 11.52 H new ATOM 0 HD23 LEU A 49 36.148 1.238 14.085 1.00 11.52 H new ATOM 691 N LYS A 50 32.765 -3.056 12.098 1.00 61.13 N ATOM 692 CA LYS A 50 31.946 -3.849 11.189 1.00 20.51 C ATOM 693 C LYS A 50 30.497 -3.898 11.664 1.00 24.12 C ATOM 694 O LYS A 50 29.581 -3.513 10.937 1.00 23.13 O ATOM 695 CB LYS A 50 32.504 -5.270 11.075 1.00 43.23 C ATOM 696 CG LYS A 50 33.789 -5.355 10.268 1.00 34.42 C ATOM 697 CD LYS A 50 33.583 -4.879 8.840 1.00 1.31 C ATOM 698 CE LYS A 50 33.871 -5.985 7.836 1.00 3.45 C ATOM 699 NZ LYS A 50 32.773 -6.989 7.787 1.00 53.21 N ATOM 0 H LYS A 50 33.494 -3.584 12.577 1.00 61.13 H new ATOM 0 HA LYS A 50 31.973 -3.374 10.208 1.00 20.51 H new ATOM 0 HB2 LYS A 50 32.687 -5.661 12.076 1.00 43.23 H new ATOM 0 HB3 LYS A 50 31.752 -5.911 10.614 1.00 43.23 H new ATOM 0 HG2 LYS A 50 34.560 -4.751 10.746 1.00 34.42 H new ATOM 0 HG3 LYS A 50 34.148 -6.384 10.261 1.00 34.42 H new ATOM 0 HD2 LYS A 50 32.557 -4.532 8.716 1.00 1.31 H new ATOM 0 HD3 LYS A 50 34.234 -4.028 8.642 1.00 1.31 H new ATOM 0 HE2 LYS A 50 34.010 -5.550 6.846 1.00 3.45 H new ATOM 0 HE3 LYS A 50 34.805 -6.481 8.100 1.00 3.45 H new ATOM 0 HZ1 LYS A 50 33.007 -7.726 7.091 1.00 53.21 H new ATOM 0 HZ2 LYS A 50 32.657 -7.423 8.725 1.00 53.21 H new ATOM 0 HZ3 LYS A 50 31.887 -6.521 7.510 1.00 53.21 H new ATOM 713 N LYS A 51 30.297 -4.372 12.889 1.00 31.31 N ATOM 714 CA LYS A 51 28.960 -4.469 13.463 1.00 2.14 C ATOM 715 C LYS A 51 28.380 -3.083 13.726 1.00 34.13 C ATOM 716 O LYS A 51 27.163 -2.894 13.702 1.00 53.33 O ATOM 717 CB LYS A 51 28.999 -5.273 14.765 1.00 11.42 C ATOM 718 CG LYS A 51 28.414 -6.669 14.636 1.00 45.43 C ATOM 719 CD LYS A 51 28.956 -7.601 15.706 1.00 33.22 C ATOM 720 CE LYS A 51 29.442 -8.913 15.109 1.00 44.42 C ATOM 721 NZ LYS A 51 29.832 -9.891 16.162 1.00 73.13 N ATOM 0 H LYS A 51 31.044 -4.695 13.504 1.00 31.31 H new ATOM 0 HA LYS A 51 28.319 -4.982 12.746 1.00 2.14 H new ATOM 0 HB2 LYS A 51 30.032 -5.351 15.103 1.00 11.42 H new ATOM 0 HB3 LYS A 51 28.452 -4.729 15.535 1.00 11.42 H new ATOM 0 HG2 LYS A 51 27.328 -6.618 14.713 1.00 45.43 H new ATOM 0 HG3 LYS A 51 28.645 -7.072 13.650 1.00 45.43 H new ATOM 0 HD2 LYS A 51 29.777 -7.114 16.233 1.00 33.22 H new ATOM 0 HD3 LYS A 51 28.178 -7.801 16.443 1.00 33.22 H new ATOM 0 HE2 LYS A 51 28.656 -9.342 14.488 1.00 44.42 H new ATOM 0 HE3 LYS A 51 30.295 -8.722 14.457 1.00 44.42 H new ATOM 0 HZ1 LYS A 51 30.157 -10.772 15.715 1.00 73.13 H new ATOM 0 HZ2 LYS A 51 30.599 -9.492 16.739 1.00 73.13 H new ATOM 0 HZ3 LYS A 51 29.012 -10.093 16.769 1.00 73.13 H new ATOM 735 N LEU A 52 29.256 -2.117 13.976 1.00 25.03 N ATOM 736 CA LEU A 52 28.831 -0.747 14.242 1.00 33.31 C ATOM 737 C LEU A 52 28.186 -0.128 13.006 1.00 3.22 C ATOM 738 O LEU A 52 27.074 0.397 13.071 1.00 30.50 O ATOM 739 CB LEU A 52 30.023 0.101 14.689 1.00 71.40 C ATOM 740 CG LEU A 52 30.119 0.387 16.188 1.00 73.20 C ATOM 741 CD1 LEU A 52 29.016 1.341 16.621 1.00 63.13 C ATOM 742 CD2 LEU A 52 30.048 -0.908 16.984 1.00 65.32 C ATOM 0 H LEU A 52 30.266 -2.257 14.000 1.00 25.03 H new ATOM 0 HA LEU A 52 28.091 -0.771 15.042 1.00 33.31 H new ATOM 0 HB2 LEU A 52 30.938 -0.401 14.376 1.00 71.40 H new ATOM 0 HB3 LEU A 52 29.985 1.053 14.160 1.00 71.40 H new ATOM 0 HG LEU A 52 31.080 0.860 16.387 1.00 73.20 H new ATOM 0 HD11 LEU A 52 29.100 1.533 17.691 1.00 63.13 H new ATOM 0 HD12 LEU A 52 29.112 2.280 16.075 1.00 63.13 H new ATOM 0 HD13 LEU A 52 28.045 0.895 16.408 1.00 63.13 H new ATOM 0 HD21 LEU A 52 30.118 -0.685 18.049 1.00 65.32 H new ATOM 0 HD22 LEU A 52 29.102 -1.409 16.780 1.00 65.32 H new ATOM 0 HD23 LEU A 52 30.873 -1.559 16.695 1.00 65.32 H new ATOM 754 N ILE A 53 28.891 -0.194 11.882 1.00 42.22 N ATOM 755 CA ILE A 53 28.386 0.358 10.631 1.00 61.33 C ATOM 756 C ILE A 53 27.234 -0.480 10.086 1.00 10.12 C ATOM 757 O ILE A 53 26.322 0.042 9.445 1.00 43.55 O ATOM 758 CB ILE A 53 29.494 0.441 9.564 1.00 1.02 C ATOM 759 CG1 ILE A 53 29.886 -0.961 9.094 1.00 72.23 C ATOM 760 CG2 ILE A 53 30.705 1.178 10.116 1.00 44.35 C ATOM 761 CD1 ILE A 53 30.991 -0.965 8.061 1.00 24.23 C ATOM 0 H ILE A 53 29.813 -0.624 11.812 1.00 42.22 H new ATOM 0 HA ILE A 53 28.029 1.364 10.852 1.00 61.33 H new ATOM 0 HB ILE A 53 29.113 0.997 8.708 1.00 1.02 H new ATOM 0 HG12 ILE A 53 30.203 -1.549 9.955 1.00 72.23 H new ATOM 0 HG13 ILE A 53 29.008 -1.454 8.677 1.00 72.23 H new ATOM 0 HG21 ILE A 53 31.480 1.229 9.351 1.00 44.35 H new ATOM 0 HG22 ILE A 53 30.415 2.188 10.407 1.00 44.35 H new ATOM 0 HG23 ILE A 53 31.089 0.646 10.986 1.00 44.35 H new ATOM 0 HD11 ILE A 53 31.217 -1.992 7.774 1.00 24.23 H new ATOM 0 HD12 ILE A 53 30.670 -0.405 7.183 1.00 24.23 H new ATOM 0 HD13 ILE A 53 31.883 -0.501 8.481 1.00 24.23 H new ATOM 773 N ASP A 54 27.281 -1.781 10.348 1.00 71.41 N ATOM 774 CA ASP A 54 26.239 -2.692 9.887 1.00 64.12 C ATOM 775 C ASP A 54 24.949 -2.484 10.673 1.00 33.41 C ATOM 776 O ASP A 54 23.864 -2.396 10.096 1.00 3.42 O ATOM 777 CB ASP A 54 26.705 -4.143 10.021 1.00 52.15 C ATOM 778 CG ASP A 54 25.645 -5.134 9.582 1.00 53.24 C ATOM 779 OD1 ASP A 54 24.846 -4.789 8.686 1.00 72.40 O ATOM 780 OD2 ASP A 54 25.613 -6.253 10.134 1.00 24.52 O ATOM 0 H ASP A 54 28.029 -2.229 10.877 1.00 71.41 H new ATOM 0 HA ASP A 54 26.041 -2.478 8.837 1.00 64.12 H new ATOM 0 HB2 ASP A 54 27.605 -4.289 9.423 1.00 52.15 H new ATOM 0 HB3 ASP A 54 26.976 -4.340 11.058 1.00 52.15 H new ATOM 785 N THR A 55 25.072 -2.409 11.995 1.00 44.43 N ATOM 786 CA THR A 55 23.916 -2.214 12.861 1.00 45.24 C ATOM 787 C THR A 55 23.340 -0.812 12.701 1.00 52.22 C ATOM 788 O THR A 55 22.123 -0.625 12.720 1.00 50.33 O ATOM 789 CB THR A 55 24.278 -2.442 14.340 1.00 22.24 C ATOM 790 OG1 THR A 55 24.780 -3.771 14.523 1.00 73.14 O ATOM 791 CG2 THR A 55 23.066 -2.225 15.233 1.00 30.35 C ATOM 0 H THR A 55 25.961 -2.480 12.489 1.00 44.43 H new ATOM 0 HA THR A 55 23.168 -2.948 12.560 1.00 45.24 H new ATOM 0 HB THR A 55 25.048 -1.722 14.618 1.00 22.24 H new ATOM 0 HG1 THR A 55 25.730 -3.798 14.283 1.00 73.14 H new ATOM 0 HG21 THR A 55 23.346 -2.392 16.273 1.00 30.35 H new ATOM 0 HG22 THR A 55 22.704 -1.204 15.114 1.00 30.35 H new ATOM 0 HG23 THR A 55 22.278 -2.924 14.953 1.00 30.35 H new ATOM 799 N TYR A 56 24.220 0.170 12.543 1.00 41.32 N ATOM 800 CA TYR A 56 23.798 1.556 12.381 1.00 12.53 C ATOM 801 C TYR A 56 23.058 1.750 11.061 1.00 45.41 C ATOM 802 O TYR A 56 21.953 2.292 11.030 1.00 74.25 O ATOM 803 CB TYR A 56 25.007 2.491 12.443 1.00 25.42 C ATOM 804 CG TYR A 56 24.642 3.940 12.674 1.00 24.54 C ATOM 805 CD1 TYR A 56 23.933 4.659 11.721 1.00 70.44 C ATOM 806 CD2 TYR A 56 25.006 4.589 13.848 1.00 44.24 C ATOM 807 CE1 TYR A 56 23.598 5.983 11.928 1.00 61.25 C ATOM 808 CE2 TYR A 56 24.675 5.913 14.064 1.00 75.33 C ATOM 809 CZ TYR A 56 23.971 6.605 13.101 1.00 51.34 C ATOM 810 OH TYR A 56 23.638 7.924 13.311 1.00 31.20 O ATOM 0 H TYR A 56 25.230 0.032 12.524 1.00 41.32 H new ATOM 0 HA TYR A 56 23.118 1.799 13.197 1.00 12.53 H new ATOM 0 HB2 TYR A 56 25.670 2.161 13.242 1.00 25.42 H new ATOM 0 HB3 TYR A 56 25.566 2.410 11.511 1.00 25.42 H new ATOM 0 HD1 TYR A 56 23.638 4.175 10.802 1.00 70.44 H new ATOM 0 HD2 TYR A 56 25.557 4.049 14.604 1.00 44.24 H new ATOM 0 HE1 TYR A 56 23.047 6.528 11.176 1.00 61.25 H new ATOM 0 HE2 TYR A 56 24.966 6.403 14.981 1.00 75.33 H new ATOM 0 HH TYR A 56 22.663 8.023 13.287 1.00 31.20 H new ATOM 820 N CYS A 57 23.677 1.304 9.973 1.00 12.13 N ATOM 821 CA CYS A 57 23.079 1.428 8.649 1.00 72.23 C ATOM 822 C CYS A 57 21.779 0.634 8.563 1.00 50.52 C ATOM 823 O CYS A 57 20.792 1.098 7.991 1.00 43.23 O ATOM 824 CB CYS A 57 24.057 0.944 7.577 1.00 3.34 C ATOM 825 SG CYS A 57 25.371 2.125 7.191 1.00 23.30 S ATOM 0 H CYS A 57 24.592 0.854 9.982 1.00 12.13 H new ATOM 0 HA CYS A 57 22.854 2.480 8.477 1.00 72.23 H new ATOM 0 HB2 CYS A 57 24.509 0.009 7.908 1.00 3.34 H new ATOM 0 HB3 CYS A 57 23.501 0.724 6.666 1.00 3.34 H new ATOM 0 HG CYS A 57 26.415 1.866 7.920 1.00 23.30 H new ATOM 831 N LYS A 58 21.785 -0.565 9.134 1.00 64.34 N ATOM 832 CA LYS A 58 20.608 -1.425 9.122 1.00 13.01 C ATOM 833 C LYS A 58 19.502 -0.845 9.998 1.00 51.41 C ATOM 834 O LYS A 58 18.326 -0.877 9.634 1.00 1.21 O ATOM 835 CB LYS A 58 20.972 -2.830 9.606 1.00 30.25 C ATOM 836 CG LYS A 58 21.687 -3.668 8.561 1.00 42.35 C ATOM 837 CD LYS A 58 20.767 -4.719 7.963 1.00 53.42 C ATOM 838 CE LYS A 58 21.386 -5.369 6.735 1.00 51.51 C ATOM 839 NZ LYS A 58 20.743 -6.673 6.414 1.00 54.43 N ATOM 0 H LYS A 58 22.593 -0.964 9.612 1.00 64.34 H new ATOM 0 HA LYS A 58 20.243 -1.484 8.097 1.00 13.01 H new ATOM 0 HB2 LYS A 58 21.606 -2.748 10.489 1.00 30.25 H new ATOM 0 HB3 LYS A 58 20.062 -3.346 9.913 1.00 30.25 H new ATOM 0 HG2 LYS A 58 22.064 -3.020 7.769 1.00 42.35 H new ATOM 0 HG3 LYS A 58 22.551 -4.155 9.013 1.00 42.35 H new ATOM 0 HD2 LYS A 58 20.551 -5.483 8.710 1.00 53.42 H new ATOM 0 HD3 LYS A 58 19.816 -4.260 7.693 1.00 53.42 H new ATOM 0 HE2 LYS A 58 21.291 -4.697 5.882 1.00 51.51 H new ATOM 0 HE3 LYS A 58 22.452 -5.521 6.903 1.00 51.51 H new ATOM 0 HZ1 LYS A 58 21.193 -7.084 5.571 1.00 54.43 H new ATOM 0 HZ2 LYS A 58 20.856 -7.323 7.218 1.00 54.43 H new ATOM 0 HZ3 LYS A 58 19.731 -6.524 6.228 1.00 54.43 H new ATOM 853 N LYS A 59 19.886 -0.313 11.153 1.00 2.13 N ATOM 854 CA LYS A 59 18.928 0.278 12.080 1.00 23.35 C ATOM 855 C LYS A 59 18.221 1.471 11.446 1.00 61.24 C ATOM 856 O LYS A 59 16.999 1.592 11.524 1.00 70.04 O ATOM 857 CB LYS A 59 19.635 0.715 13.366 1.00 75.21 C ATOM 858 CG LYS A 59 19.770 -0.396 14.393 1.00 1.32 C ATOM 859 CD LYS A 59 18.654 -0.342 15.423 1.00 74.45 C ATOM 860 CE LYS A 59 18.390 -1.711 16.031 1.00 64.53 C ATOM 861 NZ LYS A 59 18.867 -1.794 17.439 1.00 11.42 N ATOM 0 H LYS A 59 20.855 -0.279 11.470 1.00 2.13 H new ATOM 0 HA LYS A 59 18.181 -0.478 12.321 1.00 23.35 H new ATOM 0 HB2 LYS A 59 20.628 1.090 13.116 1.00 75.21 H new ATOM 0 HB3 LYS A 59 19.084 1.544 13.810 1.00 75.21 H new ATOM 0 HG2 LYS A 59 19.755 -1.362 13.889 1.00 1.32 H new ATOM 0 HG3 LYS A 59 20.734 -0.313 14.895 1.00 1.32 H new ATOM 0 HD2 LYS A 59 18.919 0.362 16.211 1.00 74.45 H new ATOM 0 HD3 LYS A 59 17.743 0.031 14.955 1.00 74.45 H new ATOM 0 HE2 LYS A 59 17.322 -1.924 15.996 1.00 64.53 H new ATOM 0 HE3 LYS A 59 18.887 -2.476 15.434 1.00 64.53 H new ATOM 0 HZ1 LYS A 59 18.669 -2.742 17.817 1.00 11.42 H new ATOM 0 HZ2 LYS A 59 19.891 -1.616 17.470 1.00 11.42 H new ATOM 0 HZ3 LYS A 59 18.375 -1.082 18.015 1.00 11.42 H new ATOM 875 N GLN A 60 18.998 2.347 10.817 1.00 54.31 N ATOM 876 CA GLN A 60 18.444 3.530 10.168 1.00 30.11 C ATOM 877 C GLN A 60 17.554 3.140 8.992 1.00 22.35 C ATOM 878 O GLN A 60 16.726 3.928 8.539 1.00 0.42 O ATOM 879 CB GLN A 60 19.569 4.448 9.688 1.00 3.34 C ATOM 880 CG GLN A 60 20.102 5.374 10.770 1.00 20.02 C ATOM 881 CD GLN A 60 20.405 6.765 10.250 1.00 10.44 C ATOM 882 OE1 GLN A 60 21.054 6.927 9.217 1.00 60.25 O ATOM 883 NE2 GLN A 60 19.935 7.780 10.966 1.00 3.43 N ATOM 0 H GLN A 60 20.012 2.260 10.743 1.00 54.31 H new ATOM 0 HA GLN A 60 17.836 4.063 10.899 1.00 30.11 H new ATOM 0 HB2 GLN A 60 20.388 3.837 9.308 1.00 3.34 H new ATOM 0 HB3 GLN A 60 19.206 5.048 8.854 1.00 3.34 H new ATOM 0 HG2 GLN A 60 19.372 5.443 11.576 1.00 20.02 H new ATOM 0 HG3 GLN A 60 21.008 4.944 11.197 1.00 20.02 H new ATOM 0 HE21 GLN A 60 19.401 7.600 11.817 1.00 3.43 H new ATOM 0 HE22 GLN A 60 20.108 8.739 10.665 1.00 3.43 H new ATOM 892 N GLY A 61 17.732 1.916 8.503 1.00 53.34 N ATOM 893 CA GLY A 61 16.938 1.443 7.384 1.00 62.05 C ATOM 894 C GLY A 61 17.524 1.847 6.045 1.00 23.22 C ATOM 895 O GLY A 61 16.794 2.034 5.072 1.00 61.14 O ATOM 0 H GLY A 61 18.411 1.245 8.861 1.00 53.34 H new ATOM 0 HA2 GLY A 61 16.861 0.357 7.431 1.00 62.05 H new ATOM 0 HA3 GLY A 61 15.926 1.838 7.468 1.00 62.05 H new ATOM 899 N ILE A 62 18.845 1.983 5.996 1.00 21.05 N ATOM 900 CA ILE A 62 19.528 2.368 4.768 1.00 60.13 C ATOM 901 C ILE A 62 20.820 1.578 4.586 1.00 74.10 C ATOM 902 O ILE A 62 21.581 1.388 5.534 1.00 65.51 O ATOM 903 CB ILE A 62 19.854 3.873 4.752 1.00 14.13 C ATOM 904 CG1 ILE A 62 20.494 4.292 6.077 1.00 1.12 C ATOM 905 CG2 ILE A 62 18.595 4.685 4.486 1.00 34.33 C ATOM 906 CD1 ILE A 62 20.828 5.766 6.147 1.00 23.35 C ATOM 0 H ILE A 62 19.463 1.832 6.793 1.00 21.05 H new ATOM 0 HA ILE A 62 18.848 2.143 3.946 1.00 60.13 H new ATOM 0 HB ILE A 62 20.565 4.067 3.949 1.00 14.13 H new ATOM 0 HG12 ILE A 62 19.817 4.042 6.894 1.00 1.12 H new ATOM 0 HG13 ILE A 62 21.405 3.714 6.230 1.00 1.12 H new ATOM 0 HG21 ILE A 62 18.842 5.747 4.478 1.00 34.33 H new ATOM 0 HG22 ILE A 62 18.177 4.402 3.520 1.00 34.33 H new ATOM 0 HG23 ILE A 62 17.863 4.489 5.270 1.00 34.33 H new ATOM 0 HD11 ILE A 62 21.278 5.992 7.114 1.00 23.35 H new ATOM 0 HD12 ILE A 62 21.530 6.018 5.352 1.00 23.35 H new ATOM 0 HD13 ILE A 62 19.917 6.352 6.026 1.00 23.35 H new ATOM 918 N SER A 63 21.060 1.122 3.361 1.00 65.40 N ATOM 919 CA SER A 63 22.259 0.350 3.055 1.00 45.34 C ATOM 920 C SER A 63 23.517 1.145 3.392 1.00 25.33 C ATOM 921 O SER A 63 23.446 2.325 3.734 1.00 3.21 O ATOM 922 CB SER A 63 22.273 -0.045 1.577 1.00 45.13 C ATOM 923 OG SER A 63 21.213 -0.936 1.277 1.00 51.31 O ATOM 0 H SER A 63 20.441 1.273 2.565 1.00 65.40 H new ATOM 0 HA SER A 63 22.246 -0.553 3.665 1.00 45.34 H new ATOM 0 HB2 SER A 63 22.188 0.848 0.958 1.00 45.13 H new ATOM 0 HB3 SER A 63 23.226 -0.513 1.332 1.00 45.13 H new ATOM 0 HG SER A 63 21.243 -1.172 0.326 1.00 51.31 H new ATOM 929 N ARG A 64 24.669 0.488 3.294 1.00 74.22 N ATOM 930 CA ARG A 64 25.943 1.131 3.590 1.00 40.13 C ATOM 931 C ARG A 64 26.452 1.911 2.381 1.00 62.52 C ATOM 932 O ARG A 64 27.591 1.733 1.950 1.00 32.11 O ATOM 933 CB ARG A 64 26.980 0.088 4.011 1.00 74.33 C ATOM 934 CG ARG A 64 28.083 0.647 4.894 1.00 15.14 C ATOM 935 CD ARG A 64 29.459 0.359 4.317 1.00 63.42 C ATOM 936 NE ARG A 64 29.815 -1.054 4.428 1.00 14.40 N ATOM 937 CZ ARG A 64 31.023 -1.531 4.152 1.00 21.33 C ATOM 938 NH1 ARG A 64 31.987 -0.714 3.751 1.00 21.05 N ATOM 939 NH2 ARG A 64 31.269 -2.829 4.278 1.00 63.13 N ATOM 0 H ARG A 64 24.745 -0.489 3.012 1.00 74.22 H new ATOM 0 HA ARG A 64 25.786 1.829 4.412 1.00 40.13 H new ATOM 0 HB2 ARG A 64 26.476 -0.720 4.542 1.00 74.33 H new ATOM 0 HB3 ARG A 64 27.427 -0.348 3.118 1.00 74.33 H new ATOM 0 HG2 ARG A 64 27.952 1.723 5.004 1.00 15.14 H new ATOM 0 HG3 ARG A 64 28.007 0.213 5.891 1.00 15.14 H new ATOM 0 HD2 ARG A 64 29.482 0.657 3.269 1.00 63.42 H new ATOM 0 HD3 ARG A 64 30.203 0.962 4.837 1.00 63.42 H new ATOM 0 HE ARG A 64 29.096 -1.710 4.734 1.00 14.40 H new ATOM 0 HH11 ARG A 64 31.802 0.284 3.654 1.00 21.05 H new ATOM 0 HH12 ARG A 64 32.914 -1.084 3.540 1.00 21.05 H new ATOM 0 HH21 ARG A 64 30.530 -3.461 4.587 1.00 63.13 H new ATOM 0 HH22 ARG A 64 32.197 -3.195 4.066 1.00 63.13 H new ATOM 953 N ASN A 65 25.600 2.774 1.838 1.00 31.10 N ATOM 954 CA ASN A 65 25.963 3.580 0.678 1.00 20.20 C ATOM 955 C ASN A 65 25.480 5.018 0.842 1.00 70.32 C ATOM 956 O ASN A 65 25.252 5.723 -0.141 1.00 64.32 O ATOM 957 CB ASN A 65 25.371 2.973 -0.596 1.00 3.21 C ATOM 958 CG ASN A 65 26.402 2.824 -1.698 1.00 24.41 C ATOM 959 OD1 ASN A 65 26.902 1.727 -1.951 1.00 3.42 O ATOM 960 ND2 ASN A 65 26.725 3.929 -2.360 1.00 25.34 N ATOM 0 H ASN A 65 24.653 2.933 2.183 1.00 31.10 H new ATOM 0 HA ASN A 65 27.050 3.588 0.598 1.00 20.20 H new ATOM 0 HB2 ASN A 65 24.945 1.996 -0.366 1.00 3.21 H new ATOM 0 HB3 ASN A 65 24.554 3.602 -0.949 1.00 3.21 H new ATOM 0 HD21 ASN A 65 27.413 3.890 -3.112 1.00 25.34 H new ATOM 0 HD22 ASN A 65 26.285 4.816 -2.116 1.00 25.34 H new ATOM 967 N SER A 66 25.326 5.446 2.091 1.00 63.13 N ATOM 968 CA SER A 66 24.867 6.799 2.384 1.00 24.40 C ATOM 969 C SER A 66 25.353 7.251 3.758 1.00 41.23 C ATOM 970 O SER A 66 24.760 8.133 4.379 1.00 33.44 O ATOM 971 CB SER A 66 23.340 6.866 2.323 1.00 42.23 C ATOM 972 OG SER A 66 22.910 7.937 1.500 1.00 73.42 O ATOM 0 H SER A 66 25.512 4.876 2.916 1.00 63.13 H new ATOM 0 HA SER A 66 25.283 7.469 1.632 1.00 24.40 H new ATOM 0 HB2 SER A 66 22.947 5.926 1.937 1.00 42.23 H new ATOM 0 HB3 SER A 66 22.938 6.991 3.328 1.00 42.23 H new ATOM 0 HG SER A 66 21.931 7.958 1.476 1.00 73.42 H new ATOM 978 N VAL A 67 26.437 6.641 4.226 1.00 62.13 N ATOM 979 CA VAL A 67 27.005 6.980 5.525 1.00 12.51 C ATOM 980 C VAL A 67 28.525 6.873 5.506 1.00 64.43 C ATOM 981 O VAL A 67 29.079 5.813 5.212 1.00 60.01 O ATOM 982 CB VAL A 67 26.451 6.068 6.635 1.00 15.24 C ATOM 983 CG1 VAL A 67 26.771 6.642 8.007 1.00 35.14 C ATOM 984 CG2 VAL A 67 24.951 5.874 6.466 1.00 3.21 C ATOM 0 H VAL A 67 26.940 5.909 3.724 1.00 62.13 H new ATOM 0 HA VAL A 67 26.719 8.011 5.735 1.00 12.51 H new ATOM 0 HB VAL A 67 26.932 5.093 6.554 1.00 15.24 H new ATOM 0 HG11 VAL A 67 26.372 5.984 8.779 1.00 35.14 H new ATOM 0 HG12 VAL A 67 27.852 6.724 8.124 1.00 35.14 H new ATOM 0 HG13 VAL A 67 26.319 7.629 8.103 1.00 35.14 H new ATOM 0 HG21 VAL A 67 24.576 5.227 7.259 1.00 3.21 H new ATOM 0 HG22 VAL A 67 24.451 6.841 6.520 1.00 3.21 H new ATOM 0 HG23 VAL A 67 24.750 5.415 5.498 1.00 3.21 H new ATOM 994 N ARG A 68 29.195 7.976 5.821 1.00 4.21 N ATOM 995 CA ARG A 68 30.653 8.006 5.839 1.00 11.14 C ATOM 996 C ARG A 68 31.180 7.970 7.271 1.00 14.00 C ATOM 997 O ARG A 68 31.051 8.942 8.016 1.00 44.25 O ATOM 998 CB ARG A 68 31.167 9.258 5.127 1.00 45.23 C ATOM 999 CG ARG A 68 31.195 9.129 3.613 1.00 43.15 C ATOM 1000 CD ARG A 68 31.229 10.491 2.938 1.00 55.42 C ATOM 1001 NE ARG A 68 31.883 10.440 1.633 1.00 1.33 N ATOM 1002 CZ ARG A 68 33.198 10.342 1.474 1.00 2.02 C ATOM 1003 NH1 ARG A 68 33.995 10.284 2.533 1.00 52.14 N ATOM 1004 NH2 ARG A 68 33.719 10.301 0.255 1.00 60.15 N ATOM 0 H ARG A 68 28.752 8.861 6.067 1.00 4.21 H new ATOM 0 HA ARG A 68 31.016 7.122 5.314 1.00 11.14 H new ATOM 0 HB2 ARG A 68 30.537 10.105 5.399 1.00 45.23 H new ATOM 0 HB3 ARG A 68 32.173 9.481 5.483 1.00 45.23 H new ATOM 0 HG2 ARG A 68 32.069 8.551 3.312 1.00 43.15 H new ATOM 0 HG3 ARG A 68 30.317 8.577 3.278 1.00 43.15 H new ATOM 0 HD2 ARG A 68 30.211 10.862 2.819 1.00 55.42 H new ATOM 0 HD3 ARG A 68 31.753 11.200 3.579 1.00 55.42 H new ATOM 0 HE ARG A 68 31.298 10.482 0.798 1.00 1.33 H new ATOM 0 HH11 ARG A 68 33.598 10.315 3.472 1.00 52.14 H new ATOM 0 HH12 ARG A 68 35.005 10.209 2.408 1.00 52.14 H new ATOM 0 HH21 ARG A 68 33.110 10.345 -0.562 1.00 60.15 H new ATOM 0 HH22 ARG A 68 34.729 10.226 0.134 1.00 60.15 H new ATOM 1018 N PHE A 69 31.772 6.842 7.650 1.00 50.42 N ATOM 1019 CA PHE A 69 32.317 6.679 8.993 1.00 72.45 C ATOM 1020 C PHE A 69 33.801 7.031 9.024 1.00 10.50 C ATOM 1021 O PHE A 69 34.641 6.279 8.528 1.00 55.25 O ATOM 1022 CB PHE A 69 32.112 5.242 9.477 1.00 22.22 C ATOM 1023 CG PHE A 69 30.678 4.907 9.771 1.00 31.14 C ATOM 1024 CD1 PHE A 69 30.125 5.195 11.009 1.00 43.21 C ATOM 1025 CD2 PHE A 69 29.882 4.304 8.810 1.00 1.45 C ATOM 1026 CE1 PHE A 69 28.806 4.887 11.282 1.00 10.34 C ATOM 1027 CE2 PHE A 69 28.562 3.995 9.078 1.00 31.51 C ATOM 1028 CZ PHE A 69 28.023 4.287 10.315 1.00 0.44 C ATOM 0 H PHE A 69 31.887 6.028 7.046 1.00 50.42 H new ATOM 0 HA PHE A 69 31.787 7.359 9.659 1.00 72.45 H new ATOM 0 HB2 PHE A 69 32.489 4.555 8.720 1.00 22.22 H new ATOM 0 HB3 PHE A 69 32.706 5.082 10.377 1.00 22.22 H new ATOM 0 HD1 PHE A 69 30.732 5.665 11.769 1.00 43.21 H new ATOM 0 HD2 PHE A 69 30.298 4.073 7.841 1.00 1.45 H new ATOM 0 HE1 PHE A 69 28.387 5.115 12.251 1.00 10.34 H new ATOM 0 HE2 PHE A 69 27.952 3.525 8.320 1.00 31.51 H new ATOM 0 HZ PHE A 69 26.991 4.047 10.526 1.00 0.44 H new ATOM 1038 N LEU A 70 34.117 8.181 9.610 1.00 22.23 N ATOM 1039 CA LEU A 70 35.500 8.635 9.707 1.00 0.30 C ATOM 1040 C LEU A 70 35.927 8.775 11.165 1.00 54.22 C ATOM 1041 O LEU A 70 35.118 9.112 12.030 1.00 73.33 O ATOM 1042 CB LEU A 70 35.670 9.972 8.984 1.00 52.45 C ATOM 1043 CG LEU A 70 34.470 10.919 9.032 1.00 30.02 C ATOM 1044 CD1 LEU A 70 34.313 11.510 10.424 1.00 13.25 C ATOM 1045 CD2 LEU A 70 34.619 12.023 7.996 1.00 43.13 C ATOM 0 H LEU A 70 33.435 8.816 10.025 1.00 22.23 H new ATOM 0 HA LEU A 70 36.136 7.888 9.232 1.00 0.30 H new ATOM 0 HB2 LEU A 70 36.531 10.486 9.412 1.00 52.45 H new ATOM 0 HB3 LEU A 70 35.906 9.770 7.939 1.00 52.45 H new ATOM 0 HG LEU A 70 33.572 10.348 8.798 1.00 30.02 H new ATOM 0 HD11 LEU A 70 33.454 12.181 10.440 1.00 13.25 H new ATOM 0 HD12 LEU A 70 34.159 10.707 11.145 1.00 13.25 H new ATOM 0 HD13 LEU A 70 35.213 12.066 10.687 1.00 13.25 H new ATOM 0 HD21 LEU A 70 33.756 12.687 8.045 1.00 43.13 H new ATOM 0 HD22 LEU A 70 35.526 12.592 8.199 1.00 43.13 H new ATOM 0 HD23 LEU A 70 34.682 11.582 7.001 1.00 43.13 H new ATOM 1057 N PHE A 71 37.203 8.517 11.430 1.00 71.42 N ATOM 1058 CA PHE A 71 37.738 8.615 12.783 1.00 71.22 C ATOM 1059 C PHE A 71 38.812 9.695 12.866 1.00 43.12 C ATOM 1060 O PHE A 71 39.936 9.505 12.399 1.00 12.45 O ATOM 1061 CB PHE A 71 38.317 7.269 13.224 1.00 33.01 C ATOM 1062 CG PHE A 71 39.269 7.376 14.381 1.00 50.23 C ATOM 1063 CD1 PHE A 71 38.938 8.121 15.501 1.00 50.41 C ATOM 1064 CD2 PHE A 71 40.495 6.732 14.347 1.00 4.34 C ATOM 1065 CE1 PHE A 71 39.812 8.222 16.567 1.00 32.12 C ATOM 1066 CE2 PHE A 71 41.373 6.829 15.411 1.00 70.23 C ATOM 1067 CZ PHE A 71 41.031 7.575 16.521 1.00 4.54 C ATOM 0 H PHE A 71 37.886 8.238 10.726 1.00 71.42 H new ATOM 0 HA PHE A 71 36.921 8.888 13.451 1.00 71.22 H new ATOM 0 HB2 PHE A 71 37.499 6.603 13.497 1.00 33.01 H new ATOM 0 HB3 PHE A 71 38.833 6.811 12.380 1.00 33.01 H new ATOM 0 HD1 PHE A 71 37.986 8.629 15.542 1.00 50.41 H new ATOM 0 HD2 PHE A 71 40.768 6.148 13.480 1.00 4.34 H new ATOM 0 HE1 PHE A 71 39.542 8.806 17.434 1.00 32.12 H new ATOM 0 HE2 PHE A 71 42.326 6.321 15.374 1.00 70.23 H new ATOM 0 HZ PHE A 71 41.716 7.653 17.352 1.00 4.54 H new ATOM 1077 N ASP A 72 38.458 10.828 13.462 1.00 44.31 N ATOM 1078 CA ASP A 72 39.391 11.940 13.607 1.00 24.31 C ATOM 1079 C ASP A 72 39.941 12.369 12.250 1.00 33.21 C ATOM 1080 O ASP A 72 41.028 12.938 12.161 1.00 71.41 O ATOM 1081 CB ASP A 72 40.542 11.550 14.537 1.00 74.33 C ATOM 1082 CG ASP A 72 41.042 12.720 15.360 1.00 25.23 C ATOM 1083 OD1 ASP A 72 40.901 13.873 14.901 1.00 31.22 O ATOM 1084 OD2 ASP A 72 41.575 12.483 16.464 1.00 22.24 O ATOM 0 H ASP A 72 37.532 11.001 13.853 1.00 44.31 H new ATOM 0 HA ASP A 72 38.851 12.781 14.042 1.00 24.31 H new ATOM 0 HB2 ASP A 72 40.212 10.754 15.205 1.00 74.33 H new ATOM 0 HB3 ASP A 72 41.364 11.148 13.944 1.00 74.33 H new ATOM 1089 N GLY A 73 39.181 12.091 11.195 1.00 70.12 N ATOM 1090 CA GLY A 73 39.609 12.454 9.857 1.00 72.05 C ATOM 1091 C GLY A 73 40.003 11.248 9.027 1.00 52.23 C ATOM 1092 O GLY A 73 40.539 11.389 7.927 1.00 1.40 O ATOM 0 H GLY A 73 38.277 11.621 11.243 1.00 70.12 H new ATOM 0 HA2 GLY A 73 38.804 12.990 9.354 1.00 72.05 H new ATOM 0 HA3 GLY A 73 40.455 13.138 9.923 1.00 72.05 H new ATOM 1096 N THR A 74 39.738 10.057 9.554 1.00 63.31 N ATOM 1097 CA THR A 74 40.071 8.821 8.856 1.00 2.32 C ATOM 1098 C THR A 74 38.815 8.112 8.364 1.00 52.33 C ATOM 1099 O THR A 74 38.286 7.211 9.015 1.00 61.25 O ATOM 1100 CB THR A 74 40.867 7.862 9.761 1.00 30.12 C ATOM 1101 OG1 THR A 74 41.748 8.606 10.610 1.00 40.44 O ATOM 1102 CG2 THR A 74 41.671 6.874 8.929 1.00 53.43 C ATOM 0 H THR A 74 39.294 9.922 10.462 1.00 63.31 H new ATOM 0 HA THR A 74 40.687 9.097 8.001 1.00 2.32 H new ATOM 0 HB THR A 74 40.158 7.305 10.373 1.00 30.12 H new ATOM 0 HG1 THR A 74 41.252 8.934 11.389 1.00 40.44 H new ATOM 0 HG21 THR A 74 42.225 6.207 9.590 1.00 53.43 H new ATOM 0 HG22 THR A 74 40.995 6.288 8.306 1.00 53.43 H new ATOM 0 HG23 THR A 74 42.370 7.418 8.294 1.00 53.43 H new ATOM 1110 N PRO A 75 38.324 8.526 7.186 1.00 12.42 N ATOM 1111 CA PRO A 75 37.124 7.943 6.580 1.00 73.34 C ATOM 1112 C PRO A 75 37.355 6.516 6.093 1.00 44.44 C ATOM 1113 O PRO A 75 37.872 6.302 4.996 1.00 72.45 O ATOM 1114 CB PRO A 75 36.836 8.871 5.397 1.00 2.53 C ATOM 1115 CG PRO A 75 38.157 9.470 5.056 1.00 0.33 C ATOM 1116 CD PRO A 75 38.903 9.596 6.356 1.00 72.11 C ATOM 0 HA PRO A 75 36.302 7.871 7.293 1.00 73.34 H new ATOM 0 HB2 PRO A 75 36.421 8.320 4.553 1.00 2.53 H new ATOM 0 HB3 PRO A 75 36.110 9.639 5.664 1.00 2.53 H new ATOM 0 HG2 PRO A 75 38.702 8.839 4.353 1.00 0.33 H new ATOM 0 HG3 PRO A 75 38.033 10.443 4.581 1.00 0.33 H new ATOM 0 HD2 PRO A 75 39.976 9.462 6.218 1.00 72.11 H new ATOM 0 HD3 PRO A 75 38.760 10.577 6.808 1.00 72.11 H new ATOM 1124 N ILE A 76 36.970 5.546 6.914 1.00 24.31 N ATOM 1125 CA ILE A 76 37.135 4.140 6.565 1.00 2.13 C ATOM 1126 C ILE A 76 36.032 3.287 7.183 1.00 40.43 C ATOM 1127 O ILE A 76 35.595 3.538 8.306 1.00 23.43 O ATOM 1128 CB ILE A 76 38.503 3.602 7.026 1.00 11.40 C ATOM 1129 CG1 ILE A 76 39.634 4.327 6.293 1.00 54.11 C ATOM 1130 CG2 ILE A 76 38.588 2.102 6.791 1.00 23.31 C ATOM 1131 CD1 ILE A 76 39.660 4.056 4.805 1.00 50.31 C ATOM 0 H ILE A 76 36.542 5.707 7.826 1.00 24.31 H new ATOM 0 HA ILE A 76 37.076 4.076 5.479 1.00 2.13 H new ATOM 0 HB ILE A 76 38.610 3.789 8.094 1.00 11.40 H new ATOM 0 HG12 ILE A 76 39.534 5.400 6.457 1.00 54.11 H new ATOM 0 HG13 ILE A 76 40.588 4.026 6.726 1.00 54.11 H new ATOM 0 HG21 ILE A 76 39.560 1.736 7.122 1.00 23.31 H new ATOM 0 HG22 ILE A 76 37.801 1.600 7.354 1.00 23.31 H new ATOM 0 HG23 ILE A 76 38.464 1.893 5.729 1.00 23.31 H new ATOM 0 HD11 ILE A 76 40.487 4.602 4.350 1.00 50.31 H new ATOM 0 HD12 ILE A 76 39.791 2.988 4.632 1.00 50.31 H new ATOM 0 HD13 ILE A 76 38.721 4.383 4.359 1.00 50.31 H new ATOM 1143 N ASP A 77 35.587 2.279 6.442 1.00 70.33 N ATOM 1144 CA ASP A 77 34.536 1.386 6.917 1.00 4.12 C ATOM 1145 C ASP A 77 35.067 -0.033 7.093 1.00 64.25 C ATOM 1146 O ASP A 77 35.014 -0.844 6.169 1.00 74.24 O ATOM 1147 CB ASP A 77 33.358 1.386 5.942 1.00 13.24 C ATOM 1148 CG ASP A 77 32.809 2.778 5.698 1.00 41.15 C ATOM 1149 OD1 ASP A 77 32.361 3.419 6.671 1.00 12.32 O ATOM 1150 OD2 ASP A 77 32.829 3.227 4.532 1.00 32.45 O ATOM 0 H ASP A 77 35.937 2.059 5.510 1.00 70.33 H new ATOM 0 HA ASP A 77 34.195 1.750 7.886 1.00 4.12 H new ATOM 0 HB2 ASP A 77 33.675 0.952 4.994 1.00 13.24 H new ATOM 0 HB3 ASP A 77 32.565 0.749 6.335 1.00 13.24 H new ATOM 1155 N GLU A 78 35.581 -0.325 8.284 1.00 55.23 N ATOM 1156 CA GLU A 78 36.123 -1.646 8.578 1.00 10.14 C ATOM 1157 C GLU A 78 36.630 -1.718 10.016 1.00 14.31 C ATOM 1158 O GLU A 78 36.863 -0.692 10.657 1.00 63.23 O ATOM 1159 CB GLU A 78 37.257 -1.984 7.609 1.00 44.32 C ATOM 1160 CG GLU A 78 36.878 -3.022 6.566 1.00 22.25 C ATOM 1161 CD GLU A 78 37.972 -4.047 6.339 1.00 24.12 C ATOM 1162 OE1 GLU A 78 38.019 -5.043 7.092 1.00 44.54 O ATOM 1163 OE2 GLU A 78 38.782 -3.853 5.408 1.00 72.31 O ATOM 0 H GLU A 78 35.633 0.335 9.060 1.00 55.23 H new ATOM 0 HA GLU A 78 35.322 -2.375 8.456 1.00 10.14 H new ATOM 0 HB2 GLU A 78 37.575 -1.072 7.103 1.00 44.32 H new ATOM 0 HB3 GLU A 78 38.113 -2.348 8.177 1.00 44.32 H new ATOM 0 HG2 GLU A 78 35.967 -3.532 6.880 1.00 22.25 H new ATOM 0 HG3 GLU A 78 36.654 -2.521 5.624 1.00 22.25 H new ATOM 1170 N THR A 79 36.797 -2.937 10.518 1.00 30.32 N ATOM 1171 CA THR A 79 37.274 -3.144 11.880 1.00 73.43 C ATOM 1172 C THR A 79 38.730 -3.596 11.890 1.00 53.13 C ATOM 1173 O THR A 79 39.226 -4.106 12.895 1.00 53.14 O ATOM 1174 CB THR A 79 36.419 -4.189 12.621 1.00 31.44 C ATOM 1175 OG1 THR A 79 36.763 -4.206 14.011 1.00 34.14 O ATOM 1176 CG2 THR A 79 36.622 -5.575 12.027 1.00 52.11 C ATOM 0 H THR A 79 36.609 -3.796 10.002 1.00 30.32 H new ATOM 0 HA THR A 79 37.190 -2.186 12.393 1.00 73.43 H new ATOM 0 HB THR A 79 35.370 -3.913 12.509 1.00 31.44 H new ATOM 0 HG1 THR A 79 37.737 -4.162 14.107 1.00 34.14 H new ATOM 0 HG21 THR A 79 36.008 -6.296 12.567 1.00 52.11 H new ATOM 0 HG22 THR A 79 36.332 -5.567 10.976 1.00 52.11 H new ATOM 0 HG23 THR A 79 37.671 -5.857 12.112 1.00 52.11 H new ATOM 1184 N LYS A 80 39.411 -3.405 10.765 1.00 2.12 N ATOM 1185 CA LYS A 80 40.812 -3.791 10.644 1.00 1.52 C ATOM 1186 C LYS A 80 41.686 -2.578 10.339 1.00 12.12 C ATOM 1187 O LYS A 80 42.820 -2.483 10.808 1.00 4.25 O ATOM 1188 CB LYS A 80 40.980 -4.843 9.545 1.00 12.54 C ATOM 1189 CG LYS A 80 40.152 -6.096 9.772 1.00 5.02 C ATOM 1190 CD LYS A 80 40.620 -6.858 11.001 1.00 14.21 C ATOM 1191 CE LYS A 80 41.974 -7.510 10.771 1.00 43.10 C ATOM 1192 NZ LYS A 80 43.020 -6.948 11.670 1.00 21.53 N ATOM 0 H LYS A 80 39.015 -2.985 9.924 1.00 2.12 H new ATOM 0 HA LYS A 80 41.129 -4.216 11.596 1.00 1.52 H new ATOM 0 HB2 LYS A 80 40.703 -4.403 8.587 1.00 12.54 H new ATOM 0 HB3 LYS A 80 42.032 -5.120 9.476 1.00 12.54 H new ATOM 0 HG2 LYS A 80 39.103 -5.824 9.889 1.00 5.02 H new ATOM 0 HG3 LYS A 80 40.218 -6.741 8.896 1.00 5.02 H new ATOM 0 HD2 LYS A 80 40.682 -6.178 11.850 1.00 14.21 H new ATOM 0 HD3 LYS A 80 39.886 -7.622 11.258 1.00 14.21 H new ATOM 0 HE2 LYS A 80 41.892 -8.584 10.936 1.00 43.10 H new ATOM 0 HE3 LYS A 80 42.273 -7.369 9.733 1.00 43.10 H new ATOM 0 HZ1 LYS A 80 43.928 -7.418 11.482 1.00 21.53 H new ATOM 0 HZ2 LYS A 80 43.116 -5.927 11.495 1.00 21.53 H new ATOM 0 HZ3 LYS A 80 42.747 -7.105 12.661 1.00 21.53 H new ATOM 1206 N THR A 81 41.150 -1.651 9.551 1.00 71.11 N ATOM 1207 CA THR A 81 41.880 -0.445 9.184 1.00 43.42 C ATOM 1208 C THR A 81 42.108 0.450 10.397 1.00 43.55 C ATOM 1209 O THR A 81 43.242 0.729 10.788 1.00 13.23 O ATOM 1210 CB THR A 81 41.133 0.357 8.102 1.00 50.15 C ATOM 1211 OG1 THR A 81 39.882 -0.272 7.802 1.00 63.45 O ATOM 1212 CG2 THR A 81 41.969 0.466 6.835 1.00 75.21 C ATOM 0 H THR A 81 40.212 -1.713 9.155 1.00 71.11 H new ATOM 0 HA THR A 81 42.843 -0.767 8.787 1.00 43.42 H new ATOM 0 HB THR A 81 40.951 1.361 8.486 1.00 50.15 H new ATOM 0 HG1 THR A 81 39.764 -0.318 6.830 1.00 63.45 H new ATOM 0 HG21 THR A 81 41.421 1.037 6.085 1.00 75.21 H new ATOM 0 HG22 THR A 81 42.908 0.972 7.061 1.00 75.21 H new ATOM 0 HG23 THR A 81 42.178 -0.532 6.450 1.00 75.21 H new ATOM 1220 N PRO A 82 41.007 0.913 11.007 1.00 21.53 N ATOM 1221 CA PRO A 82 41.062 1.782 12.186 1.00 13.40 C ATOM 1222 C PRO A 82 41.560 1.048 13.426 1.00 42.01 C ATOM 1223 O PRO A 82 42.041 1.668 14.374 1.00 52.22 O ATOM 1224 CB PRO A 82 39.606 2.219 12.372 1.00 5.22 C ATOM 1225 CG PRO A 82 38.802 1.134 11.745 1.00 71.43 C ATOM 1226 CD PRO A 82 39.624 0.621 10.595 1.00 70.23 C ATOM 0 HA PRO A 82 41.757 2.611 12.049 1.00 13.40 H new ATOM 0 HB2 PRO A 82 39.359 2.335 13.427 1.00 5.22 H new ATOM 0 HB3 PRO A 82 39.417 3.180 11.893 1.00 5.22 H new ATOM 0 HG2 PRO A 82 38.594 0.339 12.461 1.00 71.43 H new ATOM 0 HG3 PRO A 82 37.840 1.511 11.399 1.00 71.43 H new ATOM 0 HD2 PRO A 82 39.469 -0.446 10.435 1.00 70.23 H new ATOM 0 HD3 PRO A 82 39.368 1.124 9.662 1.00 70.23 H new ATOM 1234 N GLU A 83 41.443 -0.276 13.411 1.00 34.12 N ATOM 1235 CA GLU A 83 41.882 -1.094 14.536 1.00 53.21 C ATOM 1236 C GLU A 83 43.401 -1.234 14.546 1.00 62.10 C ATOM 1237 O GLU A 83 44.044 -1.059 15.581 1.00 54.23 O ATOM 1238 CB GLU A 83 41.231 -2.477 14.474 1.00 62.42 C ATOM 1239 CG GLU A 83 41.074 -3.138 15.833 1.00 3.32 C ATOM 1240 CD GLU A 83 41.704 -4.516 15.889 1.00 43.14 C ATOM 1241 OE1 GLU A 83 41.316 -5.380 15.075 1.00 14.31 O ATOM 1242 OE2 GLU A 83 42.587 -4.730 16.746 1.00 32.10 O ATOM 0 H GLU A 83 41.048 -0.805 12.633 1.00 34.12 H new ATOM 0 HA GLU A 83 41.574 -0.597 15.456 1.00 53.21 H new ATOM 0 HB2 GLU A 83 40.250 -2.387 14.008 1.00 62.42 H new ATOM 0 HB3 GLU A 83 41.830 -3.123 13.832 1.00 62.42 H new ATOM 0 HG2 GLU A 83 41.527 -2.504 16.595 1.00 3.32 H new ATOM 0 HG3 GLU A 83 40.014 -3.217 16.074 1.00 3.32 H new ATOM 1249 N GLU A 84 43.968 -1.552 13.386 1.00 21.03 N ATOM 1250 CA GLU A 84 45.412 -1.717 13.262 1.00 34.43 C ATOM 1251 C GLU A 84 46.118 -0.365 13.287 1.00 22.11 C ATOM 1252 O GLU A 84 47.219 -0.237 13.825 1.00 41.34 O ATOM 1253 CB GLU A 84 45.753 -2.460 11.969 1.00 50.13 C ATOM 1254 CG GLU A 84 46.976 -3.353 12.084 1.00 24.55 C ATOM 1255 CD GLU A 84 48.162 -2.823 11.302 1.00 22.41 C ATOM 1256 OE1 GLU A 84 48.302 -1.586 11.204 1.00 22.21 O ATOM 1257 OE2 GLU A 84 48.950 -3.645 10.788 1.00 54.21 O ATOM 0 H GLU A 84 43.450 -1.700 12.520 1.00 21.03 H new ATOM 0 HA GLU A 84 45.760 -2.304 14.112 1.00 34.43 H new ATOM 0 HB2 GLU A 84 44.897 -3.067 11.672 1.00 50.13 H new ATOM 0 HB3 GLU A 84 45.919 -1.732 11.175 1.00 50.13 H new ATOM 0 HG2 GLU A 84 47.252 -3.451 13.134 1.00 24.55 H new ATOM 0 HG3 GLU A 84 46.727 -4.352 11.726 1.00 24.55 H new ATOM 1264 N LEU A 85 45.478 0.641 12.701 1.00 22.14 N ATOM 1265 CA LEU A 85 46.044 1.985 12.655 1.00 24.51 C ATOM 1266 C LEU A 85 45.877 2.693 13.996 1.00 72.43 C ATOM 1267 O LEU A 85 46.730 3.478 14.406 1.00 65.15 O ATOM 1268 CB LEU A 85 45.379 2.802 11.547 1.00 75.01 C ATOM 1269 CG LEU A 85 46.066 4.117 11.177 1.00 12.05 C ATOM 1270 CD1 LEU A 85 46.026 4.336 9.673 1.00 63.30 C ATOM 1271 CD2 LEU A 85 45.412 5.283 11.905 1.00 24.00 C ATOM 0 H LEU A 85 44.567 0.552 12.251 1.00 22.14 H new ATOM 0 HA LEU A 85 47.109 1.897 12.443 1.00 24.51 H new ATOM 0 HB2 LEU A 85 45.319 2.182 10.652 1.00 75.01 H new ATOM 0 HB3 LEU A 85 44.356 3.023 11.850 1.00 75.01 H new ATOM 0 HG LEU A 85 47.109 4.059 11.487 1.00 12.05 H new ATOM 0 HD11 LEU A 85 46.520 5.277 9.429 1.00 63.30 H new ATOM 0 HD12 LEU A 85 46.540 3.516 9.172 1.00 63.30 H new ATOM 0 HD13 LEU A 85 44.989 4.373 9.338 1.00 63.30 H new ATOM 0 HD21 LEU A 85 45.913 6.211 11.630 1.00 24.00 H new ATOM 0 HD22 LEU A 85 44.360 5.342 11.626 1.00 24.00 H new ATOM 0 HD23 LEU A 85 45.494 5.132 12.981 1.00 24.00 H new ATOM 1283 N GLY A 86 44.770 2.407 14.676 1.00 45.11 N ATOM 1284 CA GLY A 86 44.512 3.023 15.964 1.00 0.22 C ATOM 1285 C GLY A 86 45.065 2.210 17.117 1.00 30.44 C ATOM 1286 O GLY A 86 45.957 2.663 17.834 1.00 71.11 O ATOM 0 H GLY A 86 44.048 1.760 14.358 1.00 45.11 H new ATOM 0 HA2 GLY A 86 44.953 4.019 15.982 1.00 0.22 H new ATOM 0 HA3 GLY A 86 43.437 3.148 16.094 1.00 0.22 H new ATOM 1290 N MET A 87 44.533 1.005 17.298 1.00 3.12 N ATOM 1291 CA MET A 87 44.980 0.127 18.373 1.00 35.25 C ATOM 1292 C MET A 87 44.664 0.733 19.737 1.00 12.21 C ATOM 1293 O MET A 87 45.529 0.806 20.609 1.00 43.24 O ATOM 1294 CB MET A 87 46.482 -0.137 18.255 1.00 31.01 C ATOM 1295 CG MET A 87 46.928 -0.489 16.845 1.00 32.23 C ATOM 1296 SD MET A 87 48.697 -0.822 16.739 1.00 12.11 S ATOM 1297 CE MET A 87 49.312 0.779 16.223 1.00 0.10 C ATOM 0 H MET A 87 43.793 0.615 16.715 1.00 3.12 H new ATOM 0 HA MET A 87 44.445 -0.818 18.282 1.00 35.25 H new ATOM 0 HB2 MET A 87 47.025 0.747 18.589 1.00 31.01 H new ATOM 0 HB3 MET A 87 46.753 -0.951 18.927 1.00 31.01 H new ATOM 0 HG2 MET A 87 46.376 -1.364 16.501 1.00 32.23 H new ATOM 0 HG3 MET A 87 46.676 0.331 16.173 1.00 32.23 H new ATOM 0 HE1 MET A 87 50.401 0.782 16.268 1.00 0.10 H new ATOM 0 HE2 MET A 87 48.990 0.980 15.201 1.00 0.10 H new ATOM 0 HE3 MET A 87 48.920 1.550 16.886 1.00 0.10 H new ATOM 1307 N GLU A 88 43.419 1.167 19.913 1.00 25.44 N ATOM 1308 CA GLU A 88 42.992 1.768 21.171 1.00 33.42 C ATOM 1309 C GLU A 88 41.537 1.418 21.474 1.00 5.13 C ATOM 1310 O GLU A 88 40.773 1.065 20.577 1.00 73.25 O ATOM 1311 CB GLU A 88 43.162 3.287 21.120 1.00 4.31 C ATOM 1312 CG GLU A 88 43.030 3.961 22.476 1.00 63.42 C ATOM 1313 CD GLU A 88 43.972 5.138 22.637 1.00 52.24 C ATOM 1314 OE1 GLU A 88 44.015 5.991 21.725 1.00 12.33 O ATOM 1315 OE2 GLU A 88 44.665 5.207 23.673 1.00 65.15 O ATOM 0 H GLU A 88 42.690 1.114 19.201 1.00 25.44 H new ATOM 0 HA GLU A 88 43.619 1.366 21.967 1.00 33.42 H new ATOM 0 HB2 GLU A 88 44.141 3.521 20.701 1.00 4.31 H new ATOM 0 HB3 GLU A 88 42.418 3.705 20.442 1.00 4.31 H new ATOM 0 HG2 GLU A 88 42.003 4.301 22.610 1.00 63.42 H new ATOM 0 HG3 GLU A 88 43.229 3.231 23.261 1.00 63.42 H new ATOM 1322 N ASP A 89 41.164 1.519 22.745 1.00 34.10 N ATOM 1323 CA ASP A 89 39.802 1.214 23.168 1.00 54.32 C ATOM 1324 C ASP A 89 38.901 2.437 23.021 1.00 73.44 C ATOM 1325 O ASP A 89 37.773 2.452 23.514 1.00 21.03 O ATOM 1326 CB ASP A 89 39.791 0.730 24.618 1.00 25.44 C ATOM 1327 CG ASP A 89 40.606 1.623 25.533 1.00 1.01 C ATOM 1328 OD1 ASP A 89 40.473 2.860 25.427 1.00 12.41 O ATOM 1329 OD2 ASP A 89 41.376 1.085 26.355 1.00 23.14 O ATOM 0 H ASP A 89 41.785 1.810 23.500 1.00 34.10 H new ATOM 0 HA ASP A 89 39.418 0.421 22.526 1.00 54.32 H new ATOM 0 HB2 ASP A 89 38.762 0.689 24.977 1.00 25.44 H new ATOM 0 HB3 ASP A 89 40.184 -0.286 24.662 1.00 25.44 H new ATOM 1334 N ASP A 90 39.406 3.459 22.340 1.00 43.13 N ATOM 1335 CA ASP A 90 38.648 4.686 22.127 1.00 15.24 C ATOM 1336 C ASP A 90 38.379 4.909 20.642 1.00 31.13 C ATOM 1337 O ASP A 90 38.510 6.024 20.138 1.00 13.41 O ATOM 1338 CB ASP A 90 39.401 5.884 22.707 1.00 24.02 C ATOM 1339 CG ASP A 90 39.250 5.990 24.212 1.00 53.41 C ATOM 1340 OD1 ASP A 90 38.099 6.086 24.686 1.00 13.53 O ATOM 1341 OD2 ASP A 90 40.282 5.978 24.915 1.00 11.50 O ATOM 0 H ASP A 90 40.338 3.462 21.926 1.00 43.13 H new ATOM 0 HA ASP A 90 37.691 4.585 22.640 1.00 15.24 H new ATOM 0 HB2 ASP A 90 40.458 5.801 22.456 1.00 24.02 H new ATOM 0 HB3 ASP A 90 39.034 6.799 22.243 1.00 24.02 H new ATOM 1346 N ASP A 91 38.004 3.841 19.948 1.00 71.54 N ATOM 1347 CA ASP A 91 37.717 3.919 18.520 1.00 72.10 C ATOM 1348 C ASP A 91 36.380 4.611 18.272 1.00 71.53 C ATOM 1349 O ASP A 91 35.318 4.024 18.478 1.00 34.40 O ATOM 1350 CB ASP A 91 37.703 2.519 17.903 1.00 4.41 C ATOM 1351 CG ASP A 91 36.964 2.477 16.580 1.00 24.11 C ATOM 1352 OD1 ASP A 91 35.731 2.282 16.595 1.00 32.51 O ATOM 1353 OD2 ASP A 91 37.619 2.640 15.530 1.00 64.03 O ATOM 0 H ASP A 91 37.891 2.911 20.351 1.00 71.54 H new ATOM 0 HA ASP A 91 38.504 4.507 18.048 1.00 72.10 H new ATOM 0 HB2 ASP A 91 38.728 2.180 17.754 1.00 4.41 H new ATOM 0 HB3 ASP A 91 37.235 1.823 18.599 1.00 4.41 H new ATOM 1358 N VAL A 92 36.440 5.862 17.829 1.00 42.35 N ATOM 1359 CA VAL A 92 35.235 6.634 17.552 1.00 13.41 C ATOM 1360 C VAL A 92 35.032 6.818 16.052 1.00 13.23 C ATOM 1361 O VAL A 92 35.991 6.814 15.281 1.00 45.41 O ATOM 1362 CB VAL A 92 35.288 8.019 18.225 1.00 21.33 C ATOM 1363 CG1 VAL A 92 35.737 7.892 19.673 1.00 30.41 C ATOM 1364 CG2 VAL A 92 36.209 8.951 17.453 1.00 51.22 C ATOM 0 H VAL A 92 37.311 6.363 17.654 1.00 42.35 H new ATOM 0 HA VAL A 92 34.397 6.070 17.963 1.00 13.41 H new ATOM 0 HB VAL A 92 34.285 8.447 18.216 1.00 21.33 H new ATOM 0 HG11 VAL A 92 35.769 8.880 20.132 1.00 30.41 H new ATOM 0 HG12 VAL A 92 35.035 7.261 20.218 1.00 30.41 H new ATOM 0 HG13 VAL A 92 36.730 7.444 19.708 1.00 30.41 H new ATOM 0 HG21 VAL A 92 36.235 9.925 17.942 1.00 51.22 H new ATOM 0 HG22 VAL A 92 37.214 8.531 17.428 1.00 51.22 H new ATOM 0 HG23 VAL A 92 35.839 9.066 16.434 1.00 51.22 H new ATOM 1374 N ILE A 93 33.777 6.979 15.646 1.00 11.52 N ATOM 1375 CA ILE A 93 33.448 7.167 14.238 1.00 22.45 C ATOM 1376 C ILE A 93 32.274 8.125 14.071 1.00 71.22 C ATOM 1377 O ILE A 93 31.187 7.890 14.600 1.00 63.23 O ATOM 1378 CB ILE A 93 33.105 5.828 13.558 1.00 45.33 C ATOM 1379 CG1 ILE A 93 32.170 5.004 14.445 1.00 4.43 C ATOM 1380 CG2 ILE A 93 34.376 5.050 13.251 1.00 71.52 C ATOM 1381 CD1 ILE A 93 32.899 4.105 15.420 1.00 53.42 C ATOM 0 H ILE A 93 32.972 6.983 16.272 1.00 11.52 H new ATOM 0 HA ILE A 93 34.331 7.592 13.761 1.00 22.45 H new ATOM 0 HB ILE A 93 32.593 6.035 12.618 1.00 45.33 H new ATOM 0 HG12 ILE A 93 31.521 5.680 15.002 1.00 4.43 H new ATOM 0 HG13 ILE A 93 31.526 4.394 13.812 1.00 4.43 H new ATOM 0 HG21 ILE A 93 34.118 4.106 12.771 1.00 71.52 H new ATOM 0 HG22 ILE A 93 35.009 5.635 12.584 1.00 71.52 H new ATOM 0 HG23 ILE A 93 34.913 4.850 14.178 1.00 71.52 H new ATOM 0 HD11 ILE A 93 32.174 3.551 16.016 1.00 53.42 H new ATOM 0 HD12 ILE A 93 33.527 3.405 14.869 1.00 53.42 H new ATOM 0 HD13 ILE A 93 33.522 4.711 16.078 1.00 53.42 H new ATOM 1393 N ASP A 94 32.500 9.204 13.330 1.00 13.33 N ATOM 1394 CA ASP A 94 31.459 10.198 13.090 1.00 64.33 C ATOM 1395 C ASP A 94 30.827 10.000 11.716 1.00 53.02 C ATOM 1396 O ASP A 94 31.443 10.290 10.691 1.00 75.45 O ATOM 1397 CB ASP A 94 32.037 11.609 13.201 1.00 42.54 C ATOM 1398 CG ASP A 94 32.400 11.976 14.626 1.00 12.42 C ATOM 1399 OD1 ASP A 94 33.103 11.181 15.282 1.00 24.45 O ATOM 1400 OD2 ASP A 94 31.979 13.059 15.086 1.00 63.11 O ATOM 0 H ASP A 94 33.394 9.413 12.885 1.00 13.33 H new ATOM 0 HA ASP A 94 30.686 10.070 13.848 1.00 64.33 H new ATOM 0 HB2 ASP A 94 32.924 11.685 12.572 1.00 42.54 H new ATOM 0 HB3 ASP A 94 31.312 12.327 12.818 1.00 42.54 H new ATOM 1405 N ALA A 95 29.594 9.504 11.704 1.00 53.14 N ATOM 1406 CA ALA A 95 28.877 9.269 10.456 1.00 24.42 C ATOM 1407 C ALA A 95 28.393 10.579 9.846 1.00 53.14 C ATOM 1408 O ALA A 95 27.575 11.284 10.436 1.00 51.44 O ATOM 1409 CB ALA A 95 27.705 8.328 10.691 1.00 72.35 C ATOM 0 H ALA A 95 29.071 9.257 12.544 1.00 53.14 H new ATOM 0 HA ALA A 95 29.566 8.804 9.751 1.00 24.42 H new ATOM 0 HB1 ALA A 95 27.178 8.161 9.751 1.00 72.35 H new ATOM 0 HB2 ALA A 95 28.074 7.377 11.074 1.00 72.35 H new ATOM 0 HB3 ALA A 95 27.022 8.771 11.416 1.00 72.35 H new ATOM 1415 N MET A 96 28.903 10.899 8.661 1.00 2.20 N ATOM 1416 CA MET A 96 28.521 12.126 7.971 1.00 62.42 C ATOM 1417 C MET A 96 27.881 11.813 6.622 1.00 42.52 C ATOM 1418 O MET A 96 28.147 10.771 6.024 1.00 65.05 O ATOM 1419 CB MET A 96 29.742 13.026 7.773 1.00 11.41 C ATOM 1420 CG MET A 96 29.404 14.508 7.736 1.00 42.00 C ATOM 1421 SD MET A 96 30.113 15.417 9.123 1.00 71.23 S ATOM 1422 CE MET A 96 30.710 16.888 8.294 1.00 60.04 C ATOM 0 H MET A 96 29.581 10.326 8.159 1.00 2.20 H new ATOM 0 HA MET A 96 27.790 12.649 8.588 1.00 62.42 H new ATOM 0 HB2 MET A 96 30.452 12.844 8.579 1.00 11.41 H new ATOM 0 HB3 MET A 96 30.239 12.751 6.842 1.00 11.41 H new ATOM 0 HG2 MET A 96 29.768 14.936 6.802 1.00 42.00 H new ATOM 0 HG3 MET A 96 28.321 14.630 7.742 1.00 42.00 H new ATOM 0 HE1 MET A 96 31.177 17.552 9.022 1.00 60.04 H new ATOM 0 HE2 MET A 96 31.442 16.607 7.537 1.00 60.04 H new ATOM 0 HE3 MET A 96 29.875 17.402 7.818 1.00 60.04 H new ATOM 1432 N VAL A 97 27.036 12.723 6.148 1.00 13.31 N ATOM 1433 CA VAL A 97 26.358 12.545 4.869 1.00 5.13 C ATOM 1434 C VAL A 97 27.080 13.296 3.756 1.00 64.52 C ATOM 1435 O VAL A 97 27.169 14.523 3.778 1.00 71.44 O ATOM 1436 CB VAL A 97 24.898 13.028 4.936 1.00 55.43 C ATOM 1437 CG1 VAL A 97 24.176 12.728 3.631 1.00 52.42 C ATOM 1438 CG2 VAL A 97 24.178 12.387 6.112 1.00 13.14 C ATOM 0 H VAL A 97 26.804 13.591 6.631 1.00 13.31 H new ATOM 0 HA VAL A 97 26.370 11.477 4.650 1.00 5.13 H new ATOM 0 HB VAL A 97 24.898 14.108 5.084 1.00 55.43 H new ATOM 0 HG11 VAL A 97 23.145 13.076 3.697 1.00 52.42 H new ATOM 0 HG12 VAL A 97 24.680 13.239 2.811 1.00 52.42 H new ATOM 0 HG13 VAL A 97 24.185 11.653 3.449 1.00 52.42 H new ATOM 0 HG21 VAL A 97 23.147 12.740 6.144 1.00 13.14 H new ATOM 0 HG22 VAL A 97 24.187 11.303 5.997 1.00 13.14 H new ATOM 0 HG23 VAL A 97 24.683 12.658 7.039 1.00 13.14 H new