USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 627 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: B 53 THR OG1 : rot 180:sc= 1.03 USER MOD Set 1.2: B 56 THR OG1 : rot -105:sc= 1.25 USER MOD Set 2.1: A 412 TYR OH : rot -165:sc= 0.0454 USER MOD Set 2.2: B 59 THR OG1 : rot -37:sc= 1.14 USER MOD Single : A 407 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.0043) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -0.0569 K(o=-0.057,f=-2.2!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : B 35 MET CE :methyl -169:sc= -0.236 (180deg=-0.457) USER MOD Single : B 36 TYR OH : rot 175:sc= 1.22 USER MOD Single : B 41 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.19) USER MOD Single : B 42 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 0.244 K(o=0.24,f=-4.5!) USER MOD Single : B 52 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.76) USER MOD Single : B 61 TYR OH : rot 168:sc= 0 USER MOD Single : B 64 TYR OH : rot 10:sc= 0.232 USER MOD Single : B 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0018) USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 74 CYS SG : rot 172:sc= 0.114 USER MOD Single : B 76 HIS : no HE2:sc= 0.427 K(o=0.43,f=-1.8!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 81 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 TYR OH : rot 168:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.726 0.795 -6.055 1.00 63.32 N ATOM 392 CA LEU A 404 5.507 0.846 -5.258 1.00 51.14 C ATOM 393 C LEU A 404 5.545 -0.347 -4.310 1.00 32.42 C ATOM 394 O LEU A 404 5.088 -0.213 -3.184 1.00 70.31 O ATOM 395 CB LEU A 404 4.256 0.800 -6.165 1.00 3.24 C ATOM 396 CG LEU A 404 2.919 0.624 -5.418 1.00 23.33 C ATOM 397 CD1 LEU A 404 2.579 1.859 -4.582 1.00 32.43 C ATOM 398 CD2 LEU A 404 1.780 0.347 -6.403 1.00 72.35 C ATOM 0 HA LEU A 404 5.450 1.778 -4.695 1.00 51.14 H new ATOM 0 HB2 LEU A 404 4.212 1.721 -6.746 1.00 3.24 H new ATOM 0 HB3 LEU A 404 4.370 -0.019 -6.875 1.00 3.24 H new ATOM 0 HG LEU A 404 3.033 -0.229 -4.749 1.00 23.33 H new ATOM 0 HD11 LEU A 404 1.630 1.701 -4.069 1.00 32.43 H new ATOM 0 HD12 LEU A 404 3.366 2.028 -3.847 1.00 32.43 H new ATOM 0 HD13 LEU A 404 2.498 2.729 -5.234 1.00 32.43 H new ATOM 0 HD21 LEU A 404 0.846 0.226 -5.854 1.00 72.35 H new ATOM 0 HD22 LEU A 404 1.688 1.183 -7.097 1.00 72.35 H new ATOM 0 HD23 LEU A 404 1.994 -0.565 -6.960 1.00 72.35 H new ATOM 409 N ASP A 405 6.025 -1.516 -4.748 1.00 54.53 N ATOM 410 CA ASP A 405 6.111 -2.716 -3.912 1.00 32.04 C ATOM 411 C ASP A 405 7.102 -2.514 -2.770 1.00 3.22 C ATOM 412 O ASP A 405 6.786 -2.797 -1.616 1.00 71.41 O ATOM 413 CB ASP A 405 6.489 -3.946 -4.752 1.00 12.10 C ATOM 414 CG ASP A 405 6.057 -5.231 -4.042 1.00 55.43 C ATOM 415 OD1 ASP A 405 6.776 -5.755 -3.162 1.00 62.44 O ATOM 416 OD2 ASP A 405 4.937 -5.705 -4.346 1.00 51.41 O ATOM 0 H ASP A 405 6.367 -1.656 -5.699 1.00 54.53 H new ATOM 0 HA ASP A 405 5.127 -2.894 -3.478 1.00 32.04 H new ATOM 0 HB2 ASP A 405 6.013 -3.886 -5.731 1.00 12.10 H new ATOM 0 HB3 ASP A 405 7.566 -3.961 -4.922 1.00 12.10 H new ATOM 420 N ALA A 406 8.264 -1.935 -3.079 1.00 1.33 N ATOM 421 CA ALA A 406 9.331 -1.664 -2.124 1.00 42.13 C ATOM 422 C ALA A 406 8.896 -0.760 -0.960 1.00 21.12 C ATOM 423 O ALA A 406 9.507 -0.803 0.112 1.00 13.30 O ATOM 424 CB ALA A 406 10.496 -1.026 -2.880 1.00 24.35 C ATOM 0 H ALA A 406 8.491 -1.635 -4.027 1.00 1.33 H new ATOM 0 HA ALA A 406 9.623 -2.611 -1.671 1.00 42.13 H new ATOM 0 HB1 ALA A 406 11.308 -0.814 -2.185 1.00 24.35 H new ATOM 0 HB2 ALA A 406 10.848 -1.711 -3.651 1.00 24.35 H new ATOM 0 HB3 ALA A 406 10.164 -0.097 -3.344 1.00 24.35 H new ATOM 430 N MET A 407 7.852 0.053 -1.146 1.00 71.24 N ATOM 431 CA MET A 407 7.310 0.967 -0.142 1.00 54.21 C ATOM 432 C MET A 407 6.411 0.266 0.887 1.00 22.31 C ATOM 433 O MET A 407 5.988 0.909 1.855 1.00 60.43 O ATOM 434 CB MET A 407 6.508 2.066 -0.862 1.00 44.23 C ATOM 435 CG MET A 407 7.429 3.118 -1.467 1.00 25.54 C ATOM 436 SD MET A 407 6.562 4.445 -2.352 1.00 73.12 S ATOM 437 CE MET A 407 5.823 5.407 -1.003 1.00 73.13 C ATOM 0 H MET A 407 7.345 0.093 -2.030 1.00 71.24 H new ATOM 0 HA MET A 407 8.150 1.387 0.411 1.00 54.21 H new ATOM 0 HB2 MET A 407 5.898 1.619 -1.647 1.00 44.23 H new ATOM 0 HB3 MET A 407 5.824 2.540 -0.158 1.00 44.23 H new ATOM 0 HG2 MET A 407 8.030 3.559 -0.672 1.00 25.54 H new ATOM 0 HG3 MET A 407 8.119 2.629 -2.154 1.00 25.54 H new ATOM 0 HE1 MET A 407 5.266 6.247 -1.418 1.00 73.13 H new ATOM 0 HE2 MET A 407 5.148 4.771 -0.430 1.00 73.13 H new ATOM 0 HE3 MET A 407 6.611 5.781 -0.349 1.00 73.13 H new ATOM 445 N PHE A 408 6.102 -1.021 0.710 1.00 31.14 N ATOM 446 CA PHE A 408 5.231 -1.769 1.621 1.00 72.02 C ATOM 447 C PHE A 408 5.959 -2.793 2.502 1.00 33.42 C ATOM 448 O PHE A 408 7.052 -3.249 2.149 1.00 55.44 O ATOM 449 CB PHE A 408 4.138 -2.455 0.798 1.00 51.24 C ATOM 450 CG PHE A 408 3.082 -1.495 0.296 1.00 71.15 C ATOM 451 CD1 PHE A 408 2.087 -0.975 1.147 1.00 4.24 C ATOM 452 CD2 PHE A 408 3.111 -1.102 -1.046 1.00 54.41 C ATOM 453 CE1 PHE A 408 1.132 -0.070 0.650 1.00 51.35 C ATOM 454 CE2 PHE A 408 2.177 -0.179 -1.538 1.00 12.51 C ATOM 455 CZ PHE A 408 1.178 0.335 -0.696 1.00 63.11 C ATOM 0 H PHE A 408 6.450 -1.576 -0.072 1.00 31.14 H new ATOM 0 HA PHE A 408 4.808 -1.047 2.319 1.00 72.02 H new ATOM 0 HB2 PHE A 408 4.595 -2.960 -0.053 1.00 51.24 H new ATOM 0 HB3 PHE A 408 3.662 -3.224 1.407 1.00 51.24 H new ATOM 0 HD1 PHE A 408 2.057 -1.272 2.185 1.00 4.24 H new ATOM 0 HD2 PHE A 408 3.859 -1.513 -1.708 1.00 54.41 H new ATOM 0 HE1 PHE A 408 0.362 0.314 1.303 1.00 51.35 H new ATOM 0 HE2 PHE A 408 2.226 0.138 -2.569 1.00 12.51 H new ATOM 0 HZ PHE A 408 0.451 1.036 -1.079 1.00 63.11 H new ATOM 464 N PRO A 409 5.326 -3.191 3.627 1.00 33.41 N ATOM 465 CA PRO A 409 5.866 -4.155 4.571 1.00 54.21 C ATOM 466 C PRO A 409 5.953 -5.560 3.986 1.00 34.15 C ATOM 467 O PRO A 409 5.243 -5.942 3.052 1.00 31.13 O ATOM 468 CB PRO A 409 4.917 -4.145 5.775 1.00 22.52 C ATOM 469 CG PRO A 409 3.596 -3.652 5.209 1.00 32.15 C ATOM 470 CD PRO A 409 4.052 -2.692 4.127 1.00 54.31 C ATOM 0 HA PRO A 409 6.885 -3.880 4.842 1.00 54.21 H new ATOM 0 HB2 PRO A 409 4.817 -5.139 6.210 1.00 22.52 H new ATOM 0 HB3 PRO A 409 5.282 -3.487 6.564 1.00 22.52 H new ATOM 0 HG2 PRO A 409 2.996 -4.467 4.804 1.00 32.15 H new ATOM 0 HG3 PRO A 409 2.989 -3.155 5.965 1.00 32.15 H new ATOM 0 HD2 PRO A 409 3.317 -2.638 3.324 1.00 54.31 H new ATOM 0 HD3 PRO A 409 4.162 -1.684 4.527 1.00 54.31 H new ATOM 475 N GLU A 410 6.813 -6.351 4.610 1.00 55.31 N ATOM 476 CA GLU A 410 7.092 -7.723 4.264 1.00 3.14 C ATOM 477 C GLU A 410 5.927 -8.608 4.732 1.00 53.43 C ATOM 478 O GLU A 410 5.313 -8.335 5.764 1.00 35.24 O ATOM 479 CB GLU A 410 8.401 -8.137 4.958 1.00 12.13 C ATOM 480 CG GLU A 410 9.658 -7.314 4.601 1.00 63.41 C ATOM 481 CD GLU A 410 9.634 -5.845 5.039 1.00 75.11 C ATOM 482 OE1 GLU A 410 9.102 -5.524 6.129 1.00 13.34 O ATOM 483 OE2 GLU A 410 10.181 -4.984 4.314 1.00 53.10 O ATOM 0 H GLU A 410 7.358 -6.031 5.410 1.00 55.31 H new ATOM 0 HA GLU A 410 7.201 -7.838 3.186 1.00 3.14 H new ATOM 0 HB2 GLU A 410 8.249 -8.079 6.036 1.00 12.13 H new ATOM 0 HB3 GLU A 410 8.598 -9.182 4.720 1.00 12.13 H new ATOM 0 HG2 GLU A 410 10.526 -7.795 5.052 1.00 63.41 H new ATOM 0 HG3 GLU A 410 9.799 -7.350 3.521 1.00 63.41 H new ATOM 488 N GLY A 411 5.633 -9.692 4.011 1.00 34.52 N ATOM 489 CA GLY A 411 4.554 -10.622 4.357 1.00 4.24 C ATOM 490 C GLY A 411 3.175 -10.219 3.839 1.00 12.21 C ATOM 491 O GLY A 411 2.177 -10.847 4.213 1.00 51.44 O ATOM 0 H GLY A 411 6.140 -9.952 3.165 1.00 34.52 H new ATOM 0 HA2 GLY A 411 4.802 -11.608 3.963 1.00 4.24 H new ATOM 0 HA3 GLY A 411 4.507 -10.715 5.442 1.00 4.24 H new ATOM 495 N TYR A 412 3.116 -9.312 2.862 1.00 31.44 N ATOM 496 CA TYR A 412 1.888 -8.812 2.256 1.00 4.41 C ATOM 497 C TYR A 412 2.041 -9.072 0.763 1.00 60.45 C ATOM 498 O TYR A 412 2.784 -8.377 0.067 1.00 11.54 O ATOM 499 CB TYR A 412 1.671 -7.325 2.579 1.00 52.40 C ATOM 500 CG TYR A 412 1.361 -7.013 4.029 1.00 4.23 C ATOM 501 CD1 TYR A 412 2.402 -6.996 4.973 1.00 4.44 C ATOM 502 CD2 TYR A 412 0.047 -6.718 4.439 1.00 41.00 C ATOM 503 CE1 TYR A 412 2.141 -6.733 6.327 1.00 60.11 C ATOM 504 CE2 TYR A 412 -0.229 -6.474 5.797 1.00 73.02 C ATOM 505 CZ TYR A 412 0.817 -6.493 6.748 1.00 55.14 C ATOM 506 OH TYR A 412 0.537 -6.315 8.066 1.00 63.44 O ATOM 0 H TYR A 412 3.954 -8.893 2.459 1.00 31.44 H new ATOM 0 HA TYR A 412 1.003 -9.313 2.647 1.00 4.41 H new ATOM 0 HB2 TYR A 412 2.566 -6.774 2.290 1.00 52.40 H new ATOM 0 HB3 TYR A 412 0.853 -6.952 1.962 1.00 52.40 H new ATOM 0 HD1 TYR A 412 3.415 -7.188 4.653 1.00 4.44 H new ATOM 0 HD2 TYR A 412 -0.750 -6.679 3.711 1.00 41.00 H new ATOM 0 HE1 TYR A 412 2.950 -6.715 7.042 1.00 60.11 H new ATOM 0 HE2 TYR A 412 -1.242 -6.272 6.113 1.00 73.02 H new ATOM 0 HH TYR A 412 -0.429 -6.395 8.209 1.00 63.44 H new ATOM 515 N LYS A 413 1.364 -10.114 0.280 1.00 4.10 N ATOM 516 CA LYS A 413 1.408 -10.556 -1.110 1.00 22.42 C ATOM 517 C LYS A 413 0.432 -9.755 -1.960 1.00 60.51 C ATOM 518 O LYS A 413 -0.601 -9.284 -1.471 1.00 25.45 O ATOM 519 CB LYS A 413 1.033 -12.045 -1.158 1.00 65.24 C ATOM 520 CG LYS A 413 2.126 -13.011 -0.677 1.00 65.24 C ATOM 521 CD LYS A 413 1.543 -14.402 -0.408 1.00 2.42 C ATOM 522 CE LYS A 413 0.938 -15.092 -1.633 1.00 41.04 C ATOM 523 NZ LYS A 413 -0.152 -16.001 -1.227 1.00 14.50 N ATOM 0 H LYS A 413 0.754 -10.688 0.862 1.00 4.10 H new ATOM 0 HA LYS A 413 2.411 -10.402 -1.508 1.00 22.42 H new ATOM 0 HB2 LYS A 413 0.142 -12.198 -0.550 1.00 65.24 H new ATOM 0 HB3 LYS A 413 0.768 -12.303 -2.183 1.00 65.24 H new ATOM 0 HG2 LYS A 413 2.913 -13.081 -1.428 1.00 65.24 H new ATOM 0 HG3 LYS A 413 2.587 -12.623 0.231 1.00 65.24 H new ATOM 0 HD2 LYS A 413 2.330 -15.038 -0.002 1.00 2.42 H new ATOM 0 HD3 LYS A 413 0.774 -14.316 0.360 1.00 2.42 H new ATOM 0 HE2 LYS A 413 0.556 -14.344 -2.328 1.00 41.04 H new ATOM 0 HE3 LYS A 413 1.710 -15.653 -2.161 1.00 41.04 H new ATOM 0 HZ1 LYS A 413 -0.552 -16.461 -2.069 1.00 14.50 H new ATOM 0 HZ2 LYS A 413 0.222 -16.725 -0.581 1.00 14.50 H new ATOM 0 HZ3 LYS A 413 -0.895 -15.458 -0.744 1.00 14.50 H new ATOM 533 N VAL A 414 0.715 -9.683 -3.259 1.00 62.23 N ATOM 534 CA VAL A 414 -0.084 -8.944 -4.227 1.00 24.34 C ATOM 535 C VAL A 414 -1.423 -9.639 -4.444 1.00 12.50 C ATOM 536 O VAL A 414 -1.519 -10.868 -4.397 1.00 31.54 O ATOM 537 CB VAL A 414 0.703 -8.765 -5.548 1.00 52.34 C ATOM 538 CG1 VAL A 414 0.042 -7.722 -6.464 1.00 1.12 C ATOM 539 CG2 VAL A 414 2.145 -8.295 -5.296 1.00 42.43 C ATOM 0 H VAL A 414 1.523 -10.147 -3.674 1.00 62.23 H new ATOM 0 HA VAL A 414 -0.294 -7.948 -3.838 1.00 24.34 H new ATOM 0 HB VAL A 414 0.703 -9.746 -6.024 1.00 52.34 H new ATOM 0 HG11 VAL A 414 0.622 -7.623 -7.381 1.00 1.12 H new ATOM 0 HG12 VAL A 414 -0.971 -8.042 -6.708 1.00 1.12 H new ATOM 0 HG13 VAL A 414 0.005 -6.760 -5.953 1.00 1.12 H new ATOM 0 HG21 VAL A 414 2.663 -8.182 -6.249 1.00 42.43 H new ATOM 0 HG22 VAL A 414 2.130 -7.338 -4.775 1.00 42.43 H new ATOM 0 HG23 VAL A 414 2.666 -9.032 -4.685 1.00 42.43 H new ATOM 549 N LEU A 415 -2.473 -8.844 -4.649 1.00 62.11 N ATOM 550 CA LEU A 415 -3.828 -9.308 -4.889 1.00 34.32 C ATOM 551 C LEU A 415 -4.313 -8.651 -6.186 1.00 12.24 C ATOM 552 O LEU A 415 -5.002 -7.634 -6.126 1.00 34.23 O ATOM 553 CB LEU A 415 -4.721 -9.006 -3.667 1.00 62.13 C ATOM 554 CG LEU A 415 -6.179 -9.492 -3.828 1.00 24.42 C ATOM 555 CD1 LEU A 415 -6.246 -11.001 -4.104 1.00 42.31 C ATOM 556 CD2 LEU A 415 -6.967 -9.198 -2.548 1.00 71.44 C ATOM 0 H LEU A 415 -2.395 -7.827 -4.652 1.00 62.11 H new ATOM 0 HA LEU A 415 -3.872 -10.390 -5.016 1.00 34.32 H new ATOM 0 HB2 LEU A 415 -4.286 -9.476 -2.785 1.00 62.13 H new ATOM 0 HB3 LEU A 415 -4.723 -7.931 -3.487 1.00 62.13 H new ATOM 0 HG LEU A 415 -6.609 -8.960 -4.677 1.00 24.42 H new ATOM 0 HD11 LEU A 415 -7.287 -11.305 -4.211 1.00 42.31 H new ATOM 0 HD12 LEU A 415 -5.705 -11.227 -5.023 1.00 42.31 H new ATOM 0 HD13 LEU A 415 -5.793 -11.543 -3.274 1.00 42.31 H new ATOM 0 HD21 LEU A 415 -7.994 -9.542 -2.666 1.00 71.44 H new ATOM 0 HD22 LEU A 415 -6.504 -9.717 -1.709 1.00 71.44 H new ATOM 0 HD23 LEU A 415 -6.964 -8.125 -2.357 1.00 71.44 H new ATOM 567 N PRO A 416 -3.917 -9.167 -7.361 1.00 20.22 N ATOM 568 CA PRO A 416 -4.346 -8.608 -8.637 1.00 45.31 C ATOM 569 C PRO A 416 -5.822 -8.958 -8.896 1.00 74.11 C ATOM 570 O PRO A 416 -6.350 -9.873 -8.246 1.00 42.02 O ATOM 571 CB PRO A 416 -3.425 -9.263 -9.672 1.00 75.20 C ATOM 572 CG PRO A 416 -3.108 -10.627 -9.066 1.00 20.21 C ATOM 573 CD PRO A 416 -3.096 -10.355 -7.563 1.00 45.43 C ATOM 0 HA PRO A 416 -4.279 -7.521 -8.670 1.00 45.31 H new ATOM 0 HB2 PRO A 416 -3.916 -9.360 -10.640 1.00 75.20 H new ATOM 0 HB3 PRO A 416 -2.520 -8.676 -9.831 1.00 75.20 H new ATOM 0 HG2 PRO A 416 -3.860 -11.370 -9.334 1.00 20.21 H new ATOM 0 HG3 PRO A 416 -2.147 -11.007 -9.413 1.00 20.21 H new ATOM 0 HD2 PRO A 416 -3.497 -11.204 -7.010 1.00 45.43 H new ATOM 0 HD3 PRO A 416 -2.080 -10.192 -7.204 1.00 45.43 H new ATOM 578 N PRO A 417 -6.496 -8.274 -9.838 1.00 21.45 N ATOM 579 CA PRO A 417 -7.888 -8.554 -10.165 1.00 54.31 C ATOM 580 C PRO A 417 -8.000 -9.938 -10.813 1.00 1.30 C ATOM 581 O PRO A 417 -6.996 -10.476 -11.300 1.00 13.44 O ATOM 582 CB PRO A 417 -8.319 -7.437 -11.124 1.00 73.01 C ATOM 583 CG PRO A 417 -7.011 -7.014 -11.785 1.00 63.10 C ATOM 584 CD PRO A 417 -5.994 -7.184 -10.659 1.00 22.55 C ATOM 0 HA PRO A 417 -8.531 -8.572 -9.285 1.00 54.31 H new ATOM 0 HB2 PRO A 417 -9.043 -7.794 -11.857 1.00 73.01 H new ATOM 0 HB3 PRO A 417 -8.786 -6.609 -10.592 1.00 73.01 H new ATOM 0 HG2 PRO A 417 -6.771 -7.640 -12.645 1.00 63.10 H new ATOM 0 HG3 PRO A 417 -7.052 -5.985 -12.141 1.00 63.10 H new ATOM 0 HD2 PRO A 417 -5.005 -7.416 -11.056 1.00 22.55 H new ATOM 0 HD3 PRO A 417 -5.897 -6.268 -10.077 1.00 22.55 H new ATOM 589 N PRO A 418 -9.198 -10.539 -10.844 1.00 53.12 N ATOM 590 CA PRO A 418 -9.374 -11.845 -11.452 1.00 43.30 C ATOM 591 C PRO A 418 -9.135 -11.740 -12.954 1.00 1.11 C ATOM 592 O PRO A 418 -9.495 -10.743 -13.587 1.00 31.45 O ATOM 593 CB PRO A 418 -10.803 -12.275 -11.119 1.00 44.32 C ATOM 594 CG PRO A 418 -11.528 -10.942 -10.926 1.00 1.02 C ATOM 595 CD PRO A 418 -10.459 -10.035 -10.322 1.00 54.35 C ATOM 0 HA PRO A 418 -8.667 -12.585 -11.077 1.00 43.30 H new ATOM 0 HB2 PRO A 418 -11.246 -12.862 -11.924 1.00 44.32 H new ATOM 0 HB3 PRO A 418 -10.840 -12.889 -10.219 1.00 44.32 H new ATOM 0 HG2 PRO A 418 -11.900 -10.548 -11.872 1.00 1.02 H new ATOM 0 HG3 PRO A 418 -12.387 -11.045 -10.263 1.00 1.02 H new ATOM 0 HD2 PRO A 418 -10.617 -8.995 -10.607 1.00 54.35 H new ATOM 0 HD3 PRO A 418 -10.479 -10.073 -9.233 1.00 54.35 H new ATOM 826 N VAL B 17 -4.026 14.688 3.709 1.00 42.32 N ATOM 827 CA VAL B 17 -4.511 13.429 3.160 1.00 41.41 C ATOM 828 C VAL B 17 -3.357 12.784 2.369 1.00 74.13 C ATOM 829 O VAL B 17 -2.354 13.447 2.081 1.00 40.13 O ATOM 830 CB VAL B 17 -5.772 13.715 2.306 1.00 22.11 C ATOM 831 CG1 VAL B 17 -6.423 12.417 1.818 1.00 24.14 C ATOM 832 CG2 VAL B 17 -6.852 14.516 3.054 1.00 52.25 C ATOM 0 HA VAL B 17 -4.812 12.721 3.932 1.00 41.41 H new ATOM 0 HB VAL B 17 -5.407 14.310 1.469 1.00 22.11 H new ATOM 0 HG11 VAL B 17 -7.305 12.654 1.222 1.00 24.14 H new ATOM 0 HG12 VAL B 17 -5.712 11.860 1.208 1.00 24.14 H new ATOM 0 HG13 VAL B 17 -6.717 11.812 2.676 1.00 24.14 H new ATOM 0 HG21 VAL B 17 -7.705 14.679 2.396 1.00 52.25 H new ATOM 0 HG22 VAL B 17 -7.174 13.959 3.934 1.00 52.25 H new ATOM 0 HG23 VAL B 17 -6.443 15.478 3.363 1.00 52.25 H new ATOM 842 N ASN B 18 -3.467 11.500 2.018 1.00 42.45 N ATOM 843 CA ASN B 18 -2.485 10.718 1.263 1.00 45.23 C ATOM 844 C ASN B 18 -3.215 9.932 0.159 1.00 61.42 C ATOM 845 O ASN B 18 -4.420 10.116 -0.025 1.00 63.04 O ATOM 846 CB ASN B 18 -1.703 9.818 2.229 1.00 2.15 C ATOM 847 CG ASN B 18 -0.789 10.627 3.144 1.00 30.31 C ATOM 848 OD1 ASN B 18 0.232 11.155 2.710 1.00 72.01 O ATOM 849 ND2 ASN B 18 -1.140 10.770 4.409 1.00 42.12 N ATOM 0 H ASN B 18 -4.288 10.948 2.267 1.00 42.45 H new ATOM 0 HA ASN B 18 -1.757 11.364 0.773 1.00 45.23 H new ATOM 0 HB2 ASN B 18 -2.402 9.240 2.833 1.00 2.15 H new ATOM 0 HB3 ASN B 18 -1.108 9.104 1.659 1.00 2.15 H new ATOM 0 HD21 ASN B 18 -0.561 11.325 5.039 1.00 42.12 H new ATOM 0 HD22 ASN B 18 -1.990 10.326 4.756 1.00 42.12 H new ATOM 855 N ARG B 19 -2.524 9.093 -0.626 1.00 12.15 N ATOM 856 CA ARG B 19 -3.155 8.323 -1.708 1.00 21.52 C ATOM 857 C ARG B 19 -3.371 6.867 -1.309 1.00 53.20 C ATOM 858 O ARG B 19 -4.418 6.298 -1.621 1.00 1.53 O ATOM 859 CB ARG B 19 -2.314 8.378 -2.996 1.00 12.14 C ATOM 860 CG ARG B 19 -2.224 9.761 -3.669 1.00 34.20 C ATOM 861 CD ARG B 19 -1.299 10.789 -2.994 1.00 75.23 C ATOM 862 NE ARG B 19 0.042 10.235 -2.762 1.00 65.43 N ATOM 863 CZ ARG B 19 0.888 10.522 -1.767 1.00 33.33 C ATOM 864 NH1 ARG B 19 0.628 11.505 -0.911 1.00 22.13 N ATOM 865 NH2 ARG B 19 1.980 9.787 -1.610 1.00 33.44 N ATOM 0 H ARG B 19 -1.522 8.930 -0.531 1.00 12.15 H new ATOM 0 HA ARG B 19 -4.125 8.783 -1.895 1.00 21.52 H new ATOM 0 HB2 ARG B 19 -1.304 8.039 -2.765 1.00 12.14 H new ATOM 0 HB3 ARG B 19 -2.731 7.671 -3.713 1.00 12.14 H new ATOM 0 HG2 ARG B 19 -1.887 9.620 -4.696 1.00 34.20 H new ATOM 0 HG3 ARG B 19 -3.227 10.184 -3.718 1.00 34.20 H new ATOM 0 HD2 ARG B 19 -1.223 11.678 -3.620 1.00 75.23 H new ATOM 0 HD3 ARG B 19 -1.733 11.103 -2.045 1.00 75.23 H new ATOM 0 HE ARG B 19 0.367 9.548 -3.442 1.00 65.43 H new ATOM 0 HH11 ARG B 19 -0.227 12.053 -1.008 1.00 22.13 H new ATOM 0 HH12 ARG B 19 1.283 11.712 -0.157 1.00 22.13 H new ATOM 0 HH21 ARG B 19 2.168 9.011 -2.245 1.00 33.44 H new ATOM 0 HH22 ARG B 19 2.632 9.997 -0.854 1.00 33.44 H new ATOM 876 N ILE B 20 -2.374 6.249 -0.682 1.00 21.01 N ATOM 877 CA ILE B 20 -2.449 4.863 -0.243 1.00 14.12 C ATOM 878 C ILE B 20 -3.374 4.819 0.984 1.00 24.02 C ATOM 879 O ILE B 20 -3.368 5.729 1.819 1.00 1.12 O ATOM 880 CB ILE B 20 -1.015 4.351 0.038 1.00 52.21 C ATOM 881 CG1 ILE B 20 -0.147 4.344 -1.247 1.00 75.12 C ATOM 882 CG2 ILE B 20 -1.016 2.950 0.683 1.00 41.32 C ATOM 883 CD1 ILE B 20 1.359 4.200 -0.987 1.00 75.13 C ATOM 0 H ILE B 20 -1.486 6.701 -0.464 1.00 21.01 H new ATOM 0 HA ILE B 20 -2.869 4.201 -1.000 1.00 14.12 H new ATOM 0 HB ILE B 20 -0.574 5.050 0.749 1.00 52.21 H new ATOM 0 HG12 ILE B 20 -0.474 3.525 -1.888 1.00 75.12 H new ATOM 0 HG13 ILE B 20 -0.323 5.269 -1.796 1.00 75.12 H new ATOM 0 HG21 ILE B 20 0.011 2.631 0.862 1.00 41.32 H new ATOM 0 HG22 ILE B 20 -1.555 2.986 1.630 1.00 41.32 H new ATOM 0 HG23 ILE B 20 -1.504 2.242 0.014 1.00 41.32 H new ATOM 0 HD11 ILE B 20 1.894 4.204 -1.937 1.00 75.13 H new ATOM 0 HD12 ILE B 20 1.703 5.032 -0.373 1.00 75.13 H new ATOM 0 HD13 ILE B 20 1.550 3.262 -0.467 1.00 75.13 H new ATOM 894 N LEU B 21 -4.154 3.744 1.103 1.00 33.44 N ATOM 895 CA LEU B 21 -5.096 3.491 2.187 1.00 2.33 C ATOM 896 C LEU B 21 -4.757 2.145 2.821 1.00 43.24 C ATOM 897 O LEU B 21 -4.177 1.264 2.174 1.00 52.13 O ATOM 898 CB LEU B 21 -6.540 3.439 1.657 1.00 42.21 C ATOM 899 CG LEU B 21 -7.058 4.719 0.975 1.00 10.24 C ATOM 900 CD1 LEU B 21 -8.446 4.418 0.398 1.00 14.54 C ATOM 901 CD2 LEU B 21 -7.139 5.907 1.941 1.00 54.41 C ATOM 0 H LEU B 21 -4.144 2.993 0.413 1.00 33.44 H new ATOM 0 HA LEU B 21 -5.020 4.297 2.917 1.00 2.33 H new ATOM 0 HB2 LEU B 21 -6.615 2.617 0.945 1.00 42.21 H new ATOM 0 HB3 LEU B 21 -7.203 3.202 2.489 1.00 42.21 H new ATOM 0 HG LEU B 21 -6.357 5.004 0.190 1.00 10.24 H new ATOM 0 HD11 LEU B 21 -8.837 5.309 -0.092 1.00 14.54 H new ATOM 0 HD12 LEU B 21 -8.371 3.608 -0.328 1.00 14.54 H new ATOM 0 HD13 LEU B 21 -9.118 4.122 1.203 1.00 14.54 H new ATOM 0 HD21 LEU B 21 -7.510 6.783 1.410 1.00 54.41 H new ATOM 0 HD22 LEU B 21 -7.817 5.665 2.759 1.00 54.41 H new ATOM 0 HD23 LEU B 21 -6.148 6.118 2.342 1.00 54.41 H new ATOM 912 N TYR B 22 -5.175 1.968 4.069 1.00 12.13 N ATOM 913 CA TYR B 22 -4.988 0.792 4.905 1.00 51.25 C ATOM 914 C TYR B 22 -6.379 0.346 5.360 1.00 42.24 C ATOM 915 O TYR B 22 -7.185 1.193 5.756 1.00 14.44 O ATOM 916 CB TYR B 22 -4.083 1.203 6.071 1.00 33.35 C ATOM 917 CG TYR B 22 -3.845 0.148 7.130 1.00 64.13 C ATOM 918 CD1 TYR B 22 -3.273 -1.091 6.784 1.00 34.23 C ATOM 919 CD2 TYR B 22 -4.113 0.445 8.480 1.00 65.31 C ATOM 920 CE1 TYR B 22 -2.955 -2.026 7.783 1.00 42.04 C ATOM 921 CE2 TYR B 22 -3.795 -0.486 9.481 1.00 71.32 C ATOM 922 CZ TYR B 22 -3.221 -1.724 9.136 1.00 25.42 C ATOM 923 OH TYR B 22 -2.862 -2.574 10.130 1.00 62.40 O ATOM 0 H TYR B 22 -5.692 2.699 4.558 1.00 12.13 H new ATOM 0 HA TYR B 22 -4.513 -0.043 4.390 1.00 51.25 H new ATOM 0 HB2 TYR B 22 -3.118 1.507 5.666 1.00 33.35 H new ATOM 0 HB3 TYR B 22 -4.518 2.080 6.551 1.00 33.35 H new ATOM 0 HD1 TYR B 22 -3.078 -1.323 5.747 1.00 34.23 H new ATOM 0 HD2 TYR B 22 -4.564 1.390 8.745 1.00 65.31 H new ATOM 0 HE1 TYR B 22 -2.509 -2.973 7.517 1.00 42.04 H new ATOM 0 HE2 TYR B 22 -3.991 -0.252 10.517 1.00 71.32 H new ATOM 0 HH TYR B 22 -3.126 -2.196 10.995 1.00 62.40 H new ATOM 932 N ILE B 23 -6.673 -0.955 5.267 1.00 24.40 N ATOM 933 CA ILE B 23 -7.961 -1.544 5.634 1.00 61.43 C ATOM 934 C ILE B 23 -7.719 -2.580 6.739 1.00 13.15 C ATOM 935 O ILE B 23 -6.686 -3.266 6.765 1.00 14.33 O ATOM 936 CB ILE B 23 -8.650 -2.189 4.404 1.00 75.14 C ATOM 937 CG1 ILE B 23 -8.521 -1.411 3.069 1.00 24.24 C ATOM 938 CG2 ILE B 23 -10.146 -2.417 4.709 1.00 1.31 C ATOM 939 CD1 ILE B 23 -9.164 -0.020 3.026 1.00 43.41 C ATOM 0 H ILE B 23 -6.003 -1.644 4.925 1.00 24.40 H new ATOM 0 HA ILE B 23 -8.631 -0.766 6.000 1.00 61.43 H new ATOM 0 HB ILE B 23 -8.114 -3.125 4.246 1.00 75.14 H new ATOM 0 HG12 ILE B 23 -7.461 -1.305 2.836 1.00 24.24 H new ATOM 0 HG13 ILE B 23 -8.962 -2.016 2.277 1.00 24.24 H new ATOM 0 HG21 ILE B 23 -10.629 -2.870 3.843 1.00 1.31 H new ATOM 0 HG22 ILE B 23 -10.245 -3.080 5.568 1.00 1.31 H new ATOM 0 HG23 ILE B 23 -10.622 -1.462 4.931 1.00 1.31 H new ATOM 0 HD11 ILE B 23 -9.007 0.423 2.043 1.00 43.41 H new ATOM 0 HD12 ILE B 23 -10.233 -0.107 3.218 1.00 43.41 H new ATOM 0 HD13 ILE B 23 -8.709 0.615 3.786 1.00 43.41 H new ATOM 950 N ARG B 24 -8.678 -2.734 7.654 1.00 50.33 N ATOM 951 CA ARG B 24 -8.616 -3.653 8.797 1.00 73.24 C ATOM 952 C ARG B 24 -9.946 -4.391 8.935 1.00 55.13 C ATOM 953 O ARG B 24 -10.949 -3.964 8.362 1.00 21.45 O ATOM 954 CB ARG B 24 -8.274 -2.879 10.078 1.00 32.32 C ATOM 955 CG ARG B 24 -6.885 -2.210 10.067 1.00 52.42 C ATOM 956 CD ARG B 24 -6.817 -1.098 11.120 1.00 74.00 C ATOM 957 NE ARG B 24 -6.521 -1.609 12.465 1.00 34.40 N ATOM 958 CZ ARG B 24 -6.728 -0.974 13.624 1.00 25.32 C ATOM 959 NH1 ARG B 24 -7.324 0.213 13.665 1.00 43.11 N ATOM 960 NH2 ARG B 24 -6.351 -1.550 14.759 1.00 51.21 N ATOM 0 H ARG B 24 -9.550 -2.205 7.620 1.00 50.33 H new ATOM 0 HA ARG B 24 -7.830 -4.390 8.631 1.00 73.24 H new ATOM 0 HB2 ARG B 24 -9.032 -2.112 10.238 1.00 32.32 H new ATOM 0 HB3 ARG B 24 -8.328 -3.562 10.926 1.00 32.32 H new ATOM 0 HG2 ARG B 24 -6.114 -2.955 10.266 1.00 52.42 H new ATOM 0 HG3 ARG B 24 -6.682 -1.797 9.079 1.00 52.42 H new ATOM 0 HD2 ARG B 24 -6.051 -0.377 10.833 1.00 74.00 H new ATOM 0 HD3 ARG B 24 -7.767 -0.563 11.140 1.00 74.00 H new ATOM 0 HE ARG B 24 -6.116 -2.544 12.521 1.00 34.40 H new ATOM 0 HH11 ARG B 24 -7.634 0.658 12.801 1.00 43.11 H new ATOM 0 HH12 ARG B 24 -7.472 0.679 14.560 1.00 43.11 H new ATOM 0 HH21 ARG B 24 -5.908 -2.469 14.742 1.00 51.21 H new ATOM 0 HH22 ARG B 24 -6.504 -1.074 15.648 1.00 51.21 H new ATOM 971 N ASN B 25 -9.942 -5.496 9.688 1.00 42.31 N ATOM 972 CA ASN B 25 -11.081 -6.377 9.967 1.00 45.01 C ATOM 973 C ASN B 25 -11.623 -7.104 8.726 1.00 70.30 C ATOM 974 O ASN B 25 -12.736 -7.632 8.757 1.00 2.11 O ATOM 975 CB ASN B 25 -12.196 -5.649 10.741 1.00 15.34 C ATOM 976 CG ASN B 25 -13.014 -6.581 11.638 1.00 61.01 C ATOM 977 OD1 ASN B 25 -12.845 -7.796 11.666 1.00 63.41 O ATOM 978 ND2 ASN B 25 -13.875 -6.011 12.466 1.00 10.34 N ATOM 0 H ASN B 25 -9.091 -5.819 10.147 1.00 42.31 H new ATOM 0 HA ASN B 25 -10.689 -7.162 10.614 1.00 45.01 H new ATOM 0 HB2 ASN B 25 -11.752 -4.864 11.353 1.00 15.34 H new ATOM 0 HB3 ASN B 25 -12.863 -5.161 10.031 1.00 15.34 H new ATOM 0 HD21 ASN B 25 -14.399 -6.582 13.129 1.00 10.34 H new ATOM 0 HD22 ASN B 25 -14.014 -5.001 12.441 1.00 10.34 H new ATOM 984 N LEU B 26 -10.881 -7.131 7.609 1.00 15.44 N ATOM 985 CA LEU B 26 -11.345 -7.818 6.402 1.00 22.13 C ATOM 986 C LEU B 26 -11.435 -9.327 6.671 1.00 43.30 C ATOM 987 O LEU B 26 -10.672 -9.839 7.503 1.00 73.15 O ATOM 988 CB LEU B 26 -10.398 -7.567 5.215 1.00 32.43 C ATOM 989 CG LEU B 26 -10.458 -6.145 4.627 1.00 23.14 C ATOM 990 CD1 LEU B 26 -9.426 -6.045 3.499 1.00 53.14 C ATOM 991 CD2 LEU B 26 -11.832 -5.763 4.080 1.00 14.41 C ATOM 0 H LEU B 26 -9.966 -6.689 7.520 1.00 15.44 H new ATOM 0 HA LEU B 26 -12.328 -7.424 6.145 1.00 22.13 H new ATOM 0 HB2 LEU B 26 -9.376 -7.769 5.535 1.00 32.43 H new ATOM 0 HB3 LEU B 26 -10.632 -8.281 4.425 1.00 32.43 H new ATOM 0 HG LEU B 26 -10.245 -5.451 5.440 1.00 23.14 H new ATOM 0 HD11 LEU B 26 -9.453 -5.044 3.069 1.00 53.14 H new ATOM 0 HD12 LEU B 26 -8.431 -6.242 3.898 1.00 53.14 H new ATOM 0 HD13 LEU B 26 -9.659 -6.778 2.727 1.00 53.14 H new ATOM 0 HD21 LEU B 26 -11.796 -4.748 3.683 1.00 14.41 H new ATOM 0 HD22 LEU B 26 -12.112 -6.454 3.285 1.00 14.41 H new ATOM 0 HD23 LEU B 26 -12.569 -5.813 4.881 1.00 14.41 H new ATOM 1002 N PRO B 27 -12.311 -10.058 5.957 1.00 54.14 N ATOM 1003 CA PRO B 27 -12.473 -11.492 6.140 1.00 74.53 C ATOM 1004 C PRO B 27 -11.205 -12.236 5.706 1.00 41.25 C ATOM 1005 O PRO B 27 -10.597 -11.929 4.676 1.00 21.10 O ATOM 1006 CB PRO B 27 -13.714 -11.880 5.323 1.00 32.33 C ATOM 1007 CG PRO B 27 -13.818 -10.791 4.262 1.00 34.02 C ATOM 1008 CD PRO B 27 -13.245 -9.559 4.952 1.00 25.23 C ATOM 0 HA PRO B 27 -12.618 -11.767 7.185 1.00 74.53 H new ATOM 0 HB2 PRO B 27 -13.602 -12.866 4.872 1.00 32.33 H new ATOM 0 HB3 PRO B 27 -14.607 -11.915 5.947 1.00 32.33 H new ATOM 0 HG2 PRO B 27 -13.252 -11.048 3.367 1.00 34.02 H new ATOM 0 HG3 PRO B 27 -14.851 -10.632 3.951 1.00 34.02 H new ATOM 0 HD2 PRO B 27 -12.739 -8.911 4.236 1.00 25.23 H new ATOM 0 HD3 PRO B 27 -14.036 -8.967 5.414 1.00 25.23 H new ATOM 1013 N TYR B 28 -10.833 -13.263 6.474 1.00 34.04 N ATOM 1014 CA TYR B 28 -9.644 -14.076 6.232 1.00 31.43 C ATOM 1015 C TYR B 28 -9.672 -14.834 4.908 1.00 75.03 C ATOM 1016 O TYR B 28 -8.612 -15.150 4.365 1.00 54.21 O ATOM 1017 CB TYR B 28 -9.492 -15.121 7.341 1.00 23.11 C ATOM 1018 CG TYR B 28 -9.598 -14.619 8.765 1.00 22.52 C ATOM 1019 CD1 TYR B 28 -8.765 -13.579 9.219 1.00 63.13 C ATOM 1020 CD2 TYR B 28 -10.478 -15.260 9.660 1.00 43.04 C ATOM 1021 CE1 TYR B 28 -8.808 -13.182 10.566 1.00 42.53 C ATOM 1022 CE2 TYR B 28 -10.506 -14.883 11.011 1.00 70.14 C ATOM 1023 CZ TYR B 28 -9.678 -13.836 11.466 1.00 74.34 C ATOM 1024 OH TYR B 28 -9.668 -13.514 12.784 1.00 34.23 O ATOM 0 H TYR B 28 -11.361 -13.556 7.296 1.00 34.04 H new ATOM 0 HA TYR B 28 -8.813 -13.371 6.207 1.00 31.43 H new ATOM 0 HB2 TYR B 28 -10.252 -15.888 7.193 1.00 23.11 H new ATOM 0 HB3 TYR B 28 -8.523 -15.606 7.222 1.00 23.11 H new ATOM 0 HD1 TYR B 28 -8.093 -13.086 8.532 1.00 63.13 H new ATOM 0 HD2 TYR B 28 -11.132 -16.043 9.305 1.00 43.04 H new ATOM 0 HE1 TYR B 28 -8.176 -12.378 10.913 1.00 42.53 H new ATOM 0 HE2 TYR B 28 -11.161 -15.394 11.702 1.00 70.14 H new ATOM 0 HH TYR B 28 -10.329 -14.059 13.259 1.00 34.23 H new ATOM 1033 N LYS B 29 -10.861 -15.205 4.430 1.00 71.12 N ATOM 1034 CA LYS B 29 -11.068 -15.930 3.188 1.00 71.01 C ATOM 1035 C LYS B 29 -12.140 -15.179 2.411 1.00 64.30 C ATOM 1036 O LYS B 29 -13.254 -15.021 2.910 1.00 72.25 O ATOM 1037 CB LYS B 29 -11.474 -17.377 3.505 1.00 54.53 C ATOM 1038 CG LYS B 29 -11.622 -18.252 2.257 1.00 63.34 C ATOM 1039 CD LYS B 29 -10.303 -18.830 1.740 1.00 60.33 C ATOM 1040 CE LYS B 29 -10.611 -19.815 0.606 1.00 0.23 C ATOM 1041 NZ LYS B 29 -9.596 -20.880 0.504 1.00 34.20 N ATOM 0 H LYS B 29 -11.732 -14.999 4.918 1.00 71.12 H new ATOM 0 HA LYS B 29 -10.162 -15.985 2.584 1.00 71.01 H new ATOM 0 HB2 LYS B 29 -10.728 -17.820 4.165 1.00 54.53 H new ATOM 0 HB3 LYS B 29 -12.418 -17.371 4.050 1.00 54.53 H new ATOM 0 HG2 LYS B 29 -12.303 -19.073 2.481 1.00 63.34 H new ATOM 0 HG3 LYS B 29 -12.083 -17.662 1.465 1.00 63.34 H new ATOM 0 HD2 LYS B 29 -9.655 -18.031 1.381 1.00 60.33 H new ATOM 0 HD3 LYS B 29 -9.770 -19.335 2.545 1.00 60.33 H new ATOM 0 HE2 LYS B 29 -11.591 -20.263 0.772 1.00 0.23 H new ATOM 0 HE3 LYS B 29 -10.664 -19.274 -0.339 1.00 0.23 H new ATOM 0 HZ1 LYS B 29 -9.844 -21.523 -0.275 1.00 34.20 H new ATOM 0 HZ2 LYS B 29 -8.665 -20.455 0.319 1.00 34.20 H new ATOM 0 HZ3 LYS B 29 -9.562 -21.414 1.396 1.00 34.20 H new ATOM 1051 N ILE B 30 -11.772 -14.684 1.240 1.00 42.25 N ATOM 1052 CA ILE B 30 -12.583 -13.940 0.288 1.00 14.14 C ATOM 1053 C ILE B 30 -11.759 -13.947 -0.999 1.00 23.41 C ATOM 1054 O ILE B 30 -10.525 -13.863 -0.916 1.00 4.02 O ATOM 1055 CB ILE B 30 -12.892 -12.520 0.824 1.00 1.43 C ATOM 1056 CG1 ILE B 30 -13.785 -11.738 -0.153 1.00 4.43 C ATOM 1057 CG2 ILE B 30 -11.632 -11.700 1.163 1.00 30.40 C ATOM 1058 CD1 ILE B 30 -14.480 -10.542 0.512 1.00 72.23 C ATOM 0 H ILE B 30 -10.817 -14.802 0.902 1.00 42.25 H new ATOM 0 HA ILE B 30 -13.565 -14.379 0.115 1.00 14.14 H new ATOM 0 HB ILE B 30 -13.428 -12.672 1.761 1.00 1.43 H new ATOM 0 HG12 ILE B 30 -13.181 -11.384 -0.988 1.00 4.43 H new ATOM 0 HG13 ILE B 30 -14.539 -12.408 -0.566 1.00 4.43 H new ATOM 0 HG21 ILE B 30 -11.926 -10.717 1.532 1.00 30.40 H new ATOM 0 HG22 ILE B 30 -11.056 -12.218 1.930 1.00 30.40 H new ATOM 0 HG23 ILE B 30 -11.022 -11.583 0.267 1.00 30.40 H new ATOM 0 HD11 ILE B 30 -15.098 -10.025 -0.223 1.00 72.23 H new ATOM 0 HD12 ILE B 30 -15.108 -10.895 1.330 1.00 72.23 H new ATOM 0 HD13 ILE B 30 -13.729 -9.855 0.902 1.00 72.23 H new ATOM 1069 N THR B 31 -12.382 -14.095 -2.162 1.00 53.22 N ATOM 1070 CA THR B 31 -11.677 -14.108 -3.441 1.00 31.15 C ATOM 1071 C THR B 31 -11.252 -12.685 -3.818 1.00 1.13 C ATOM 1072 O THR B 31 -11.534 -11.717 -3.097 1.00 62.31 O ATOM 1073 CB THR B 31 -12.602 -14.701 -4.520 1.00 61.32 C ATOM 1074 OG1 THR B 31 -13.870 -14.093 -4.426 1.00 0.23 O ATOM 1075 CG2 THR B 31 -12.759 -16.212 -4.370 1.00 64.22 C ATOM 0 H THR B 31 -13.392 -14.210 -2.246 1.00 53.22 H new ATOM 0 HA THR B 31 -10.780 -14.723 -3.362 1.00 31.15 H new ATOM 0 HB THR B 31 -12.150 -14.506 -5.493 1.00 61.32 H new ATOM 0 HG1 THR B 31 -14.463 -14.465 -5.112 1.00 0.23 H new ATOM 0 HG21 THR B 31 -13.419 -16.589 -5.151 1.00 64.22 H new ATOM 0 HG22 THR B 31 -11.783 -16.690 -4.458 1.00 64.22 H new ATOM 0 HG23 THR B 31 -13.187 -16.438 -3.393 1.00 64.22 H new ATOM 1083 N ALA B 32 -10.494 -12.541 -4.908 1.00 15.24 N ATOM 1084 CA ALA B 32 -10.095 -11.216 -5.367 1.00 21.42 C ATOM 1085 C ALA B 32 -11.354 -10.526 -5.903 1.00 52.05 C ATOM 1086 O ALA B 32 -11.552 -9.346 -5.669 1.00 34.13 O ATOM 1087 CB ALA B 32 -9.047 -11.346 -6.478 1.00 31.11 C ATOM 0 H ALA B 32 -10.151 -13.314 -5.478 1.00 15.24 H new ATOM 0 HA ALA B 32 -9.656 -10.636 -4.556 1.00 21.42 H new ATOM 0 HB1 ALA B 32 -8.752 -10.353 -6.818 1.00 31.11 H new ATOM 0 HB2 ALA B 32 -8.173 -11.873 -6.094 1.00 31.11 H new ATOM 0 HB3 ALA B 32 -9.470 -11.905 -7.313 1.00 31.11 H new ATOM 1093 N GLU B 33 -12.210 -11.298 -6.571 1.00 71.22 N ATOM 1094 CA GLU B 33 -13.466 -10.918 -7.201 1.00 44.52 C ATOM 1095 C GLU B 33 -14.351 -10.079 -6.290 1.00 43.13 C ATOM 1096 O GLU B 33 -14.749 -8.988 -6.686 1.00 12.30 O ATOM 1097 CB GLU B 33 -14.184 -12.201 -7.640 1.00 64.42 C ATOM 1098 CG GLU B 33 -13.358 -12.970 -8.680 1.00 1.43 C ATOM 1099 CD GLU B 33 -13.324 -14.465 -8.417 1.00 3.02 C ATOM 1100 OE1 GLU B 33 -14.321 -15.155 -8.714 1.00 32.20 O ATOM 1101 OE2 GLU B 33 -12.264 -14.957 -7.960 1.00 4.11 O ATOM 0 H GLU B 33 -12.022 -12.293 -6.694 1.00 71.22 H new ATOM 0 HA GLU B 33 -13.250 -10.286 -8.063 1.00 44.52 H new ATOM 0 HB2 GLU B 33 -14.363 -12.836 -6.772 1.00 64.42 H new ATOM 0 HB3 GLU B 33 -15.159 -11.951 -8.059 1.00 64.42 H new ATOM 0 HG2 GLU B 33 -13.773 -12.790 -9.672 1.00 1.43 H new ATOM 0 HG3 GLU B 33 -12.339 -12.584 -8.685 1.00 1.43 H new ATOM 1106 N GLU B 34 -14.654 -10.560 -5.081 1.00 52.02 N ATOM 1107 CA GLU B 34 -15.505 -9.804 -4.171 1.00 14.35 C ATOM 1108 C GLU B 34 -14.844 -8.478 -3.816 1.00 14.43 C ATOM 1109 O GLU B 34 -15.486 -7.436 -3.891 1.00 34.21 O ATOM 1110 CB GLU B 34 -15.779 -10.562 -2.872 1.00 32.20 C ATOM 1111 CG GLU B 34 -16.342 -11.974 -3.008 1.00 75.12 C ATOM 1112 CD GLU B 34 -17.567 -12.072 -3.907 1.00 11.12 C ATOM 1113 OE1 GLU B 34 -18.458 -11.194 -3.844 1.00 33.31 O ATOM 1114 OE2 GLU B 34 -17.691 -13.107 -4.598 1.00 72.10 O ATOM 0 H GLU B 34 -14.327 -11.455 -4.718 1.00 52.02 H new ATOM 0 HA GLU B 34 -16.451 -9.641 -4.688 1.00 14.35 H new ATOM 0 HB2 GLU B 34 -14.848 -10.620 -2.309 1.00 32.20 H new ATOM 0 HB3 GLU B 34 -16.476 -9.974 -2.275 1.00 32.20 H new ATOM 0 HG2 GLU B 34 -15.563 -12.628 -3.401 1.00 75.12 H new ATOM 0 HG3 GLU B 34 -16.601 -12.347 -2.017 1.00 75.12 H new ATOM 1119 N MET B 35 -13.569 -8.519 -3.415 1.00 13.32 N ATOM 1120 CA MET B 35 -12.832 -7.321 -3.042 1.00 31.23 C ATOM 1121 C MET B 35 -12.836 -6.298 -4.176 1.00 2.42 C ATOM 1122 O MET B 35 -13.052 -5.108 -3.915 1.00 62.42 O ATOM 1123 CB MET B 35 -11.388 -7.669 -2.652 1.00 75.20 C ATOM 1124 CG MET B 35 -11.236 -8.336 -1.284 1.00 11.43 C ATOM 1125 SD MET B 35 -11.392 -7.204 0.130 1.00 12.32 S ATOM 1126 CE MET B 35 -9.941 -6.122 -0.104 1.00 52.45 C ATOM 0 H MET B 35 -13.028 -9.380 -3.342 1.00 13.32 H new ATOM 0 HA MET B 35 -13.332 -6.881 -2.179 1.00 31.23 H new ATOM 0 HB2 MET B 35 -10.971 -8.330 -3.411 1.00 75.20 H new ATOM 0 HB3 MET B 35 -10.793 -6.756 -2.663 1.00 75.20 H new ATOM 0 HG2 MET B 35 -11.988 -9.119 -1.191 1.00 11.43 H new ATOM 0 HG3 MET B 35 -10.262 -8.823 -1.238 1.00 11.43 H new ATOM 0 HE1 MET B 35 -9.796 -5.510 0.786 1.00 52.45 H new ATOM 0 HE2 MET B 35 -9.054 -6.734 -0.272 1.00 52.45 H new ATOM 0 HE3 MET B 35 -10.104 -5.476 -0.966 1.00 52.45 H new ATOM 1134 N TYR B 36 -12.502 -6.720 -5.400 1.00 32.33 N ATOM 1135 CA TYR B 36 -12.462 -5.837 -6.556 1.00 24.12 C ATOM 1136 C TYR B 36 -13.844 -5.257 -6.816 1.00 13.44 C ATOM 1137 O TYR B 36 -13.926 -4.046 -7.003 1.00 32.03 O ATOM 1138 CB TYR B 36 -11.805 -6.504 -7.769 1.00 40.25 C ATOM 1139 CG TYR B 36 -10.297 -6.310 -7.774 1.00 11.22 C ATOM 1140 CD1 TYR B 36 -9.739 -5.125 -8.293 1.00 73.12 C ATOM 1141 CD2 TYR B 36 -9.455 -7.273 -7.194 1.00 51.04 C ATOM 1142 CE1 TYR B 36 -8.350 -4.901 -8.223 1.00 34.31 C ATOM 1143 CE2 TYR B 36 -8.072 -7.053 -7.107 1.00 73.25 C ATOM 1144 CZ TYR B 36 -7.510 -5.862 -7.619 1.00 4.03 C ATOM 1145 OH TYR B 36 -6.176 -5.627 -7.488 1.00 45.42 O ATOM 0 H TYR B 36 -12.252 -7.686 -5.611 1.00 32.33 H new ATOM 0 HA TYR B 36 -11.811 -4.989 -6.340 1.00 24.12 H new ATOM 0 HB2 TYR B 36 -12.034 -7.570 -7.766 1.00 40.25 H new ATOM 0 HB3 TYR B 36 -12.228 -6.090 -8.684 1.00 40.25 H new ATOM 0 HD1 TYR B 36 -10.380 -4.384 -8.747 1.00 73.12 H new ATOM 0 HD2 TYR B 36 -9.876 -8.191 -6.812 1.00 51.04 H new ATOM 0 HE1 TYR B 36 -7.928 -3.995 -8.631 1.00 34.31 H new ATOM 0 HE2 TYR B 36 -7.436 -7.795 -6.648 1.00 73.25 H new ATOM 0 HH TYR B 36 -5.764 -6.356 -6.979 1.00 45.42 H new ATOM 1154 N ASP B 37 -14.911 -6.060 -6.754 1.00 41.13 N ATOM 1155 CA ASP B 37 -16.278 -5.575 -6.954 1.00 43.25 C ATOM 1156 C ASP B 37 -16.532 -4.445 -5.956 1.00 11.35 C ATOM 1157 O ASP B 37 -16.776 -3.307 -6.357 1.00 32.13 O ATOM 1158 CB ASP B 37 -17.315 -6.703 -6.769 1.00 35.55 C ATOM 1159 CG ASP B 37 -18.753 -6.174 -6.600 1.00 23.23 C ATOM 1160 OD1 ASP B 37 -19.101 -5.643 -5.518 1.00 2.40 O ATOM 1161 OD2 ASP B 37 -19.593 -6.357 -7.508 1.00 2.41 O ATOM 0 H ASP B 37 -14.851 -7.060 -6.564 1.00 41.13 H new ATOM 0 HA ASP B 37 -16.385 -5.212 -7.976 1.00 43.25 H new ATOM 0 HB2 ASP B 37 -17.277 -7.369 -7.631 1.00 35.55 H new ATOM 0 HB3 ASP B 37 -17.047 -7.297 -5.895 1.00 35.55 H new ATOM 1165 N ILE B 38 -16.392 -4.755 -4.663 1.00 22.03 N ATOM 1166 CA ILE B 38 -16.604 -3.873 -3.527 1.00 13.52 C ATOM 1167 C ILE B 38 -15.913 -2.515 -3.706 1.00 62.33 C ATOM 1168 O ILE B 38 -16.600 -1.492 -3.784 1.00 33.32 O ATOM 1169 CB ILE B 38 -16.210 -4.604 -2.217 1.00 3.11 C ATOM 1170 CG1 ILE B 38 -17.149 -5.788 -1.893 1.00 63.35 C ATOM 1171 CG2 ILE B 38 -16.206 -3.662 -1.005 1.00 54.22 C ATOM 1172 CD1 ILE B 38 -16.503 -6.782 -0.918 1.00 64.45 C ATOM 0 H ILE B 38 -16.109 -5.690 -4.371 1.00 22.03 H new ATOM 0 HA ILE B 38 -17.665 -3.632 -3.460 1.00 13.52 H new ATOM 0 HB ILE B 38 -15.202 -4.978 -2.398 1.00 3.11 H new ATOM 0 HG12 ILE B 38 -18.076 -5.409 -1.463 1.00 63.35 H new ATOM 0 HG13 ILE B 38 -17.413 -6.305 -2.816 1.00 63.35 H new ATOM 0 HG21 ILE B 38 -15.924 -4.220 -0.112 1.00 54.22 H new ATOM 0 HG22 ILE B 38 -15.490 -2.858 -1.172 1.00 54.22 H new ATOM 0 HG23 ILE B 38 -17.201 -3.239 -0.870 1.00 54.22 H new ATOM 0 HD11 ILE B 38 -17.197 -7.598 -0.717 1.00 64.45 H new ATOM 0 HD12 ILE B 38 -15.590 -7.182 -1.358 1.00 64.45 H new ATOM 0 HD13 ILE B 38 -16.263 -6.272 0.015 1.00 64.45 H new ATOM 1183 N PHE B 39 -14.578 -2.469 -3.717 1.00 44.13 N ATOM 1184 CA PHE B 39 -13.824 -1.219 -3.850 1.00 71.40 C ATOM 1185 C PHE B 39 -13.964 -0.572 -5.230 1.00 44.40 C ATOM 1186 O PHE B 39 -13.846 0.654 -5.333 1.00 20.35 O ATOM 1187 CB PHE B 39 -12.338 -1.464 -3.552 1.00 32.43 C ATOM 1188 CG PHE B 39 -12.013 -1.593 -2.078 1.00 32.14 C ATOM 1189 CD1 PHE B 39 -12.125 -2.836 -1.428 1.00 74.21 C ATOM 1190 CD2 PHE B 39 -11.638 -0.452 -1.338 1.00 62.53 C ATOM 1191 CE1 PHE B 39 -11.878 -2.938 -0.051 1.00 34.52 C ATOM 1192 CE2 PHE B 39 -11.397 -0.555 0.043 1.00 51.13 C ATOM 1193 CZ PHE B 39 -11.523 -1.798 0.688 1.00 14.52 C ATOM 0 H PHE B 39 -13.989 -3.298 -3.634 1.00 44.13 H new ATOM 0 HA PHE B 39 -14.250 -0.526 -3.125 1.00 71.40 H new ATOM 0 HB2 PHE B 39 -12.022 -2.373 -4.063 1.00 32.43 H new ATOM 0 HB3 PHE B 39 -11.755 -0.644 -3.971 1.00 32.43 H new ATOM 0 HD1 PHE B 39 -12.402 -3.715 -1.991 1.00 74.21 H new ATOM 0 HD2 PHE B 39 -11.536 0.502 -1.833 1.00 62.53 H new ATOM 0 HE1 PHE B 39 -11.961 -3.895 0.442 1.00 34.52 H new ATOM 0 HE2 PHE B 39 -11.115 0.321 0.609 1.00 51.13 H new ATOM 0 HZ PHE B 39 -11.347 -1.876 1.751 1.00 14.52 H new ATOM 1202 N GLY B 40 -14.226 -1.360 -6.271 1.00 64.34 N ATOM 1203 CA GLY B 40 -14.368 -0.904 -7.643 1.00 21.13 C ATOM 1204 C GLY B 40 -15.564 0.013 -7.843 1.00 31.21 C ATOM 1205 O GLY B 40 -15.581 0.775 -8.809 1.00 62.12 O ATOM 0 H GLY B 40 -14.349 -2.368 -6.174 1.00 64.34 H new ATOM 0 HA2 GLY B 40 -13.461 -0.379 -7.941 1.00 21.13 H new ATOM 0 HA3 GLY B 40 -14.466 -1.769 -8.299 1.00 21.13 H new ATOM 1209 N LYS B 41 -16.567 -0.010 -6.953 1.00 15.31 N ATOM 1210 CA LYS B 41 -17.729 0.876 -7.093 1.00 20.21 C ATOM 1211 C LYS B 41 -17.297 2.338 -7.026 1.00 12.23 C ATOM 1212 O LYS B 41 -17.993 3.183 -7.586 1.00 43.55 O ATOM 1213 CB LYS B 41 -18.795 0.598 -6.015 1.00 75.41 C ATOM 1214 CG LYS B 41 -19.867 -0.409 -6.458 1.00 43.10 C ATOM 1215 CD LYS B 41 -19.298 -1.798 -6.739 1.00 14.04 C ATOM 1216 CE LYS B 41 -20.375 -2.798 -7.147 1.00 42.32 C ATOM 1217 NZ LYS B 41 -20.882 -3.610 -6.027 1.00 0.14 N ATOM 0 H LYS B 41 -16.597 -0.624 -6.139 1.00 15.31 H new ATOM 0 HA LYS B 41 -18.174 0.674 -8.067 1.00 20.21 H new ATOM 0 HB2 LYS B 41 -18.303 0.222 -5.118 1.00 75.41 H new ATOM 0 HB3 LYS B 41 -19.279 1.536 -5.744 1.00 75.41 H new ATOM 0 HG2 LYS B 41 -20.630 -0.484 -5.683 1.00 43.10 H new ATOM 0 HG3 LYS B 41 -20.360 -0.036 -7.355 1.00 43.10 H new ATOM 0 HD2 LYS B 41 -18.552 -1.728 -7.531 1.00 14.04 H new ATOM 0 HD3 LYS B 41 -18.785 -2.164 -5.850 1.00 14.04 H new ATOM 0 HE2 LYS B 41 -21.207 -2.258 -7.599 1.00 42.32 H new ATOM 0 HE3 LYS B 41 -19.972 -3.461 -7.912 1.00 42.32 H new ATOM 0 HZ1 LYS B 41 -21.656 -4.218 -6.362 1.00 0.14 H new ATOM 0 HZ2 LYS B 41 -20.114 -4.202 -5.652 1.00 0.14 H new ATOM 0 HZ3 LYS B 41 -21.234 -2.983 -5.276 1.00 0.14 H new ATOM 1227 N TYR B 42 -16.185 2.643 -6.349 1.00 24.22 N ATOM 1228 CA TYR B 42 -15.683 4.003 -6.226 1.00 12.23 C ATOM 1229 C TYR B 42 -14.795 4.416 -7.403 1.00 63.33 C ATOM 1230 O TYR B 42 -14.464 5.599 -7.519 1.00 20.25 O ATOM 1231 CB TYR B 42 -14.927 4.152 -4.901 1.00 21.13 C ATOM 1232 CG TYR B 42 -15.746 3.840 -3.658 1.00 64.23 C ATOM 1233 CD1 TYR B 42 -16.994 4.462 -3.456 1.00 74.04 C ATOM 1234 CD2 TYR B 42 -15.252 2.945 -2.688 1.00 61.12 C ATOM 1235 CE1 TYR B 42 -17.745 4.192 -2.300 1.00 63.31 C ATOM 1236 CE2 TYR B 42 -15.977 2.707 -1.507 1.00 53.33 C ATOM 1237 CZ TYR B 42 -17.233 3.323 -1.312 1.00 20.24 C ATOM 1238 OH TYR B 42 -17.955 3.058 -0.192 1.00 14.11 O ATOM 0 H TYR B 42 -15.611 1.947 -5.872 1.00 24.22 H new ATOM 0 HA TYR B 42 -16.542 4.673 -6.239 1.00 12.23 H new ATOM 0 HB2 TYR B 42 -14.057 3.495 -4.920 1.00 21.13 H new ATOM 0 HB3 TYR B 42 -14.553 5.173 -4.825 1.00 21.13 H new ATOM 0 HD1 TYR B 42 -17.376 5.151 -4.195 1.00 74.04 H new ATOM 0 HD2 TYR B 42 -14.312 2.439 -2.853 1.00 61.12 H new ATOM 0 HE1 TYR B 42 -18.714 4.649 -2.167 1.00 63.31 H new ATOM 0 HE2 TYR B 42 -15.573 2.053 -0.748 1.00 53.33 H new ATOM 0 HH TYR B 42 -17.455 2.440 0.381 1.00 14.11 H new ATOM 1247 N GLY B 43 -14.400 3.491 -8.281 1.00 11.43 N ATOM 1248 CA GLY B 43 -13.550 3.793 -9.419 1.00 40.33 C ATOM 1249 C GLY B 43 -12.435 2.762 -9.575 1.00 30.23 C ATOM 1250 O GLY B 43 -12.452 1.727 -8.906 1.00 21.12 O ATOM 0 H GLY B 43 -14.666 2.508 -8.216 1.00 11.43 H new ATOM 0 HA2 GLY B 43 -14.152 3.819 -10.327 1.00 40.33 H new ATOM 0 HA3 GLY B 43 -13.115 4.785 -9.296 1.00 40.33 H new ATOM 1254 N PRO B 44 -11.483 3.023 -10.481 1.00 42.22 N ATOM 1255 CA PRO B 44 -10.361 2.138 -10.753 1.00 62.44 C ATOM 1256 C PRO B 44 -9.394 2.089 -9.575 1.00 54.14 C ATOM 1257 O PRO B 44 -9.233 3.074 -8.853 1.00 70.30 O ATOM 1258 CB PRO B 44 -9.692 2.718 -11.997 1.00 63.25 C ATOM 1259 CG PRO B 44 -10.008 4.208 -11.900 1.00 62.42 C ATOM 1260 CD PRO B 44 -11.401 4.223 -11.296 1.00 25.54 C ATOM 0 HA PRO B 44 -10.685 1.109 -10.909 1.00 62.44 H new ATOM 0 HB2 PRO B 44 -8.618 2.534 -12.000 1.00 63.25 H new ATOM 0 HB3 PRO B 44 -10.093 2.280 -12.911 1.00 63.25 H new ATOM 0 HG2 PRO B 44 -9.289 4.733 -11.270 1.00 62.42 H new ATOM 0 HG3 PRO B 44 -9.987 4.690 -12.878 1.00 62.42 H new ATOM 0 HD2 PRO B 44 -11.558 5.118 -10.694 1.00 25.54 H new ATOM 0 HD3 PRO B 44 -12.166 4.223 -12.073 1.00 25.54 H new ATOM 1265 N ILE B 45 -8.675 0.976 -9.441 1.00 35.13 N ATOM 1266 CA ILE B 45 -7.724 0.754 -8.366 1.00 23.04 C ATOM 1267 C ILE B 45 -6.333 0.574 -8.984 1.00 33.33 C ATOM 1268 O ILE B 45 -6.156 -0.062 -10.023 1.00 12.44 O ATOM 1269 CB ILE B 45 -8.191 -0.427 -7.475 1.00 71.21 C ATOM 1270 CG1 ILE B 45 -9.713 -0.379 -7.159 1.00 50.51 C ATOM 1271 CG2 ILE B 45 -7.381 -0.388 -6.166 1.00 14.41 C ATOM 1272 CD1 ILE B 45 -10.245 -1.590 -6.388 1.00 60.21 C ATOM 0 H ILE B 45 -8.742 0.193 -10.091 1.00 35.13 H new ATOM 0 HA ILE B 45 -7.667 1.611 -7.694 1.00 23.04 H new ATOM 0 HB ILE B 45 -8.019 -1.356 -8.019 1.00 71.21 H new ATOM 0 HG12 ILE B 45 -9.922 0.522 -6.583 1.00 50.51 H new ATOM 0 HG13 ILE B 45 -10.262 -0.292 -8.096 1.00 50.51 H new ATOM 0 HG21 ILE B 45 -7.692 -1.210 -5.521 1.00 14.41 H new ATOM 0 HG22 ILE B 45 -6.319 -0.485 -6.392 1.00 14.41 H new ATOM 0 HG23 ILE B 45 -7.558 0.559 -5.657 1.00 14.41 H new ATOM 0 HD11 ILE B 45 -11.314 -1.469 -6.213 1.00 60.21 H new ATOM 0 HD12 ILE B 45 -10.073 -2.496 -6.969 1.00 60.21 H new ATOM 0 HD13 ILE B 45 -9.727 -1.669 -5.432 1.00 60.21 H new ATOM 1283 N ARG B 46 -5.324 1.179 -8.358 1.00 70.12 N ATOM 1284 CA ARG B 46 -3.929 1.139 -8.780 1.00 63.12 C ATOM 1285 C ARG B 46 -3.270 -0.182 -8.404 1.00 31.35 C ATOM 1286 O ARG B 46 -2.587 -0.769 -9.245 1.00 1.11 O ATOM 1287 CB ARG B 46 -3.197 2.365 -8.219 1.00 40.11 C ATOM 1288 CG ARG B 46 -1.889 2.666 -8.959 1.00 14.24 C ATOM 1289 CD ARG B 46 -0.721 1.781 -8.521 1.00 51.21 C ATOM 1290 NE ARG B 46 0.349 1.715 -9.528 1.00 63.23 N ATOM 1291 CZ ARG B 46 0.776 0.646 -10.220 1.00 25.34 C ATOM 1292 NH1 ARG B 46 0.176 -0.541 -10.134 1.00 23.02 N ATOM 1293 NH2 ARG B 46 1.835 0.796 -11.005 1.00 63.24 N ATOM 0 H ARG B 46 -5.464 1.731 -7.511 1.00 70.12 H new ATOM 0 HA ARG B 46 -3.872 1.188 -9.867 1.00 63.12 H new ATOM 0 HB2 ARG B 46 -3.852 3.234 -8.281 1.00 40.11 H new ATOM 0 HB3 ARG B 46 -2.982 2.203 -7.163 1.00 40.11 H new ATOM 0 HG2 ARG B 46 -2.049 2.538 -10.030 1.00 14.24 H new ATOM 0 HG3 ARG B 46 -1.623 3.711 -8.799 1.00 14.24 H new ATOM 0 HD2 ARG B 46 -0.311 2.163 -7.586 1.00 51.21 H new ATOM 0 HD3 ARG B 46 -1.088 0.775 -8.320 1.00 51.21 H new ATOM 0 HE ARG B 46 0.828 2.593 -9.726 1.00 63.23 H new ATOM 0 HH11 ARG B 46 -0.636 -0.659 -9.528 1.00 23.02 H new ATOM 0 HH12 ARG B 46 0.528 -1.331 -10.675 1.00 23.02 H new ATOM 0 HH21 ARG B 46 2.298 1.703 -11.069 1.00 63.24 H new ATOM 0 HH22 ARG B 46 2.186 0.005 -11.545 1.00 63.24 H new ATOM 1304 N GLN B 47 -3.358 -0.605 -7.139 1.00 52.23 N ATOM 1305 CA GLN B 47 -2.755 -1.846 -6.653 1.00 74.34 C ATOM 1306 C GLN B 47 -3.407 -2.245 -5.328 1.00 12.31 C ATOM 1307 O GLN B 47 -3.934 -1.379 -4.622 1.00 54.45 O ATOM 1308 CB GLN B 47 -1.240 -1.616 -6.445 1.00 61.01 C ATOM 1309 CG GLN B 47 -0.418 -2.871 -6.122 1.00 44.42 C ATOM 1310 CD GLN B 47 -0.653 -3.965 -7.152 1.00 22.12 C ATOM 1311 OE1 GLN B 47 -1.530 -4.799 -6.963 1.00 2.23 O ATOM 1312 NE2 GLN B 47 0.078 -3.941 -8.251 1.00 71.34 N ATOM 0 H GLN B 47 -3.857 -0.087 -6.416 1.00 52.23 H new ATOM 0 HA GLN B 47 -2.908 -2.645 -7.378 1.00 74.34 H new ATOM 0 HB2 GLN B 47 -0.833 -1.159 -7.347 1.00 61.01 H new ATOM 0 HB3 GLN B 47 -1.107 -0.898 -5.636 1.00 61.01 H new ATOM 0 HG2 GLN B 47 0.642 -2.617 -6.093 1.00 44.42 H new ATOM 0 HG3 GLN B 47 -0.685 -3.238 -5.131 1.00 44.42 H new ATOM 0 HE21 GLN B 47 0.799 -3.229 -8.369 1.00 71.34 H new ATOM 0 HE22 GLN B 47 -0.078 -4.635 -8.982 1.00 71.34 H new ATOM 1319 N ILE B 48 -3.335 -3.532 -4.970 1.00 35.43 N ATOM 1320 CA ILE B 48 -3.889 -4.092 -3.738 1.00 73.33 C ATOM 1321 C ILE B 48 -2.967 -5.218 -3.266 1.00 50.13 C ATOM 1322 O ILE B 48 -2.408 -5.964 -4.075 1.00 53.05 O ATOM 1323 CB ILE B 48 -5.321 -4.635 -3.977 1.00 35.42 C ATOM 1324 CG1 ILE B 48 -6.224 -3.545 -4.598 1.00 51.05 C ATOM 1325 CG2 ILE B 48 -5.941 -5.174 -2.669 1.00 43.24 C ATOM 1326 CD1 ILE B 48 -7.681 -3.961 -4.708 1.00 62.11 C ATOM 0 H ILE B 48 -2.874 -4.233 -5.550 1.00 35.43 H new ATOM 0 HA ILE B 48 -3.953 -3.314 -2.977 1.00 73.33 H new ATOM 0 HB ILE B 48 -5.249 -5.464 -4.680 1.00 35.42 H new ATOM 0 HG12 ILE B 48 -6.157 -2.640 -3.994 1.00 51.05 H new ATOM 0 HG13 ILE B 48 -5.849 -3.295 -5.590 1.00 51.05 H new ATOM 0 HG21 ILE B 48 -6.945 -5.548 -2.869 1.00 43.24 H new ATOM 0 HG22 ILE B 48 -5.323 -5.984 -2.280 1.00 43.24 H new ATOM 0 HG23 ILE B 48 -5.993 -4.372 -1.933 1.00 43.24 H new ATOM 0 HD11 ILE B 48 -8.258 -3.150 -5.152 1.00 62.11 H new ATOM 0 HD12 ILE B 48 -7.760 -4.848 -5.336 1.00 62.11 H new ATOM 0 HD13 ILE B 48 -8.072 -4.183 -3.715 1.00 62.11 H new ATOM 1337 N ARG B 49 -2.782 -5.336 -1.950 1.00 41.01 N ATOM 1338 CA ARG B 49 -1.965 -6.366 -1.313 1.00 72.42 C ATOM 1339 C ARG B 49 -2.644 -6.712 0.006 1.00 52.35 C ATOM 1340 O ARG B 49 -3.298 -5.844 0.592 1.00 12.13 O ATOM 1341 CB ARG B 49 -0.525 -5.893 -1.076 1.00 4.42 C ATOM 1342 CG ARG B 49 0.203 -5.432 -2.350 1.00 42.14 C ATOM 1343 CD ARG B 49 1.715 -5.333 -2.131 1.00 55.41 C ATOM 1344 NE ARG B 49 2.441 -4.958 -3.348 1.00 3.33 N ATOM 1345 CZ ARG B 49 2.468 -3.766 -3.945 1.00 64.10 C ATOM 1346 NH1 ARG B 49 1.760 -2.741 -3.474 1.00 31.24 N ATOM 1347 NH2 ARG B 49 3.226 -3.629 -5.026 1.00 60.44 N ATOM 0 H ARG B 49 -3.210 -4.698 -1.280 1.00 41.01 H new ATOM 0 HA ARG B 49 -1.891 -7.239 -1.962 1.00 72.42 H new ATOM 0 HB2 ARG B 49 -0.537 -5.071 -0.360 1.00 4.42 H new ATOM 0 HB3 ARG B 49 0.042 -6.705 -0.620 1.00 4.42 H new ATOM 0 HG2 ARG B 49 -0.003 -6.131 -3.160 1.00 42.14 H new ATOM 0 HG3 ARG B 49 -0.185 -4.462 -2.660 1.00 42.14 H new ATOM 0 HD2 ARG B 49 1.917 -4.598 -1.352 1.00 55.41 H new ATOM 0 HD3 ARG B 49 2.089 -6.291 -1.771 1.00 55.41 H new ATOM 0 HE ARG B 49 2.990 -5.695 -3.790 1.00 3.33 H new ATOM 0 HH11 ARG B 49 1.183 -2.860 -2.641 1.00 31.24 H new ATOM 0 HH12 ARG B 49 1.795 -1.837 -3.946 1.00 31.24 H new ATOM 0 HH21 ARG B 49 3.764 -4.422 -5.375 1.00 60.44 H new ATOM 0 HH22 ARG B 49 3.270 -2.731 -5.508 1.00 60.44 H new ATOM 1358 N VAL B 50 -2.493 -7.946 0.483 1.00 4.43 N ATOM 1359 CA VAL B 50 -3.105 -8.410 1.727 1.00 42.00 C ATOM 1360 C VAL B 50 -2.072 -9.171 2.555 1.00 63.24 C ATOM 1361 O VAL B 50 -1.188 -9.826 1.992 1.00 14.22 O ATOM 1362 CB VAL B 50 -4.354 -9.276 1.426 1.00 53.25 C ATOM 1363 CG1 VAL B 50 -5.426 -8.513 0.632 1.00 15.30 C ATOM 1364 CG2 VAL B 50 -4.048 -10.553 0.631 1.00 65.44 C ATOM 0 H VAL B 50 -1.937 -8.659 0.012 1.00 4.43 H new ATOM 0 HA VAL B 50 -3.440 -7.552 2.310 1.00 42.00 H new ATOM 0 HB VAL B 50 -4.718 -9.540 2.419 1.00 53.25 H new ATOM 0 HG11 VAL B 50 -6.278 -9.168 0.449 1.00 15.30 H new ATOM 0 HG12 VAL B 50 -5.752 -7.644 1.203 1.00 15.30 H new ATOM 0 HG13 VAL B 50 -5.009 -8.186 -0.320 1.00 15.30 H new ATOM 0 HG21 VAL B 50 -4.972 -11.105 0.460 1.00 65.44 H new ATOM 0 HG22 VAL B 50 -3.602 -10.287 -0.327 1.00 65.44 H new ATOM 0 HG23 VAL B 50 -3.353 -11.175 1.195 1.00 65.44 H new ATOM 1374 N GLY B 51 -2.174 -9.086 3.882 1.00 75.41 N ATOM 1375 CA GLY B 51 -1.271 -9.771 4.797 1.00 63.23 C ATOM 1376 C GLY B 51 -1.506 -11.270 4.669 1.00 51.01 C ATOM 1377 O GLY B 51 -2.667 -11.699 4.596 1.00 4.31 O ATOM 0 H GLY B 51 -2.892 -8.535 4.352 1.00 75.41 H new ATOM 0 HA2 GLY B 51 -0.235 -9.528 4.561 1.00 63.23 H new ATOM 0 HA3 GLY B 51 -1.450 -9.445 5.822 1.00 63.23 H new ATOM 1381 N ASN B 52 -0.439 -12.067 4.604 1.00 30.52 N ATOM 1382 CA ASN B 52 -0.534 -13.523 4.471 1.00 52.13 C ATOM 1383 C ASN B 52 0.174 -14.291 5.580 1.00 62.22 C ATOM 1384 O ASN B 52 -0.139 -15.470 5.775 1.00 13.02 O ATOM 1385 CB ASN B 52 -0.176 -13.981 3.058 1.00 32.44 C ATOM 1386 CG ASN B 52 1.260 -14.449 2.907 1.00 42.45 C ATOM 1387 OD1 ASN B 52 1.483 -15.623 2.647 1.00 45.23 O ATOM 1388 ND2 ASN B 52 2.234 -13.557 2.935 1.00 33.42 N ATOM 0 H ASN B 52 0.520 -11.721 4.642 1.00 30.52 H new ATOM 0 HA ASN B 52 -1.582 -13.784 4.617 1.00 52.13 H new ATOM 0 HB2 ASN B 52 -0.844 -14.792 2.770 1.00 32.44 H new ATOM 0 HB3 ASN B 52 -0.355 -13.159 2.364 1.00 32.44 H new ATOM 0 HD21 ASN B 52 3.193 -13.843 2.738 1.00 33.42 H new ATOM 0 HD22 ASN B 52 2.027 -12.583 3.154 1.00 33.42 H new ATOM 1394 N THR B 53 1.130 -13.672 6.272 1.00 31.42 N ATOM 1395 CA THR B 53 1.795 -14.309 7.401 1.00 61.42 C ATOM 1396 C THR B 53 0.713 -14.377 8.501 1.00 52.43 C ATOM 1397 O THR B 53 -0.288 -13.649 8.438 1.00 72.14 O ATOM 1398 CB THR B 53 3.087 -13.545 7.754 1.00 31.24 C ATOM 1399 OG1 THR B 53 2.924 -12.145 7.699 1.00 3.45 O ATOM 1400 CG2 THR B 53 4.195 -13.895 6.755 1.00 1.41 C ATOM 0 H THR B 53 1.460 -12.729 6.068 1.00 31.42 H new ATOM 0 HA THR B 53 2.158 -15.319 7.212 1.00 61.42 H new ATOM 0 HB THR B 53 3.342 -13.842 8.771 1.00 31.24 H new ATOM 0 HG1 THR B 53 3.770 -11.708 7.932 1.00 3.45 H new ATOM 0 HG21 THR B 53 5.103 -13.350 7.013 1.00 1.41 H new ATOM 0 HG22 THR B 53 4.392 -14.966 6.791 1.00 1.41 H new ATOM 0 HG23 THR B 53 3.879 -13.618 5.749 1.00 1.41 H new ATOM 1408 N PRO B 54 0.850 -15.247 9.507 1.00 33.03 N ATOM 1409 CA PRO B 54 -0.162 -15.373 10.548 1.00 32.25 C ATOM 1410 C PRO B 54 -0.409 -14.038 11.243 1.00 25.14 C ATOM 1411 O PRO B 54 -1.552 -13.596 11.360 1.00 62.13 O ATOM 1412 CB PRO B 54 0.338 -16.482 11.470 1.00 75.52 C ATOM 1413 CG PRO B 54 1.845 -16.538 11.201 1.00 14.21 C ATOM 1414 CD PRO B 54 1.958 -16.153 9.740 1.00 4.11 C ATOM 0 HA PRO B 54 -1.142 -15.641 10.154 1.00 32.25 H new ATOM 0 HB2 PRO B 54 0.127 -16.257 12.515 1.00 75.52 H new ATOM 0 HB3 PRO B 54 -0.143 -17.434 11.246 1.00 75.52 H new ATOM 0 HG2 PRO B 54 2.393 -15.847 11.842 1.00 14.21 H new ATOM 0 HG3 PRO B 54 2.249 -17.533 11.386 1.00 14.21 H new ATOM 0 HD2 PRO B 54 2.913 -15.671 9.531 1.00 4.11 H new ATOM 0 HD3 PRO B 54 1.895 -17.029 9.094 1.00 4.11 H new ATOM 1419 N GLU B 55 0.668 -13.340 11.585 1.00 14.54 N ATOM 1420 CA GLU B 55 0.632 -12.056 12.256 1.00 1.44 C ATOM 1421 C GLU B 55 0.116 -10.891 11.394 1.00 30.45 C ATOM 1422 O GLU B 55 0.015 -9.786 11.931 1.00 73.54 O ATOM 1423 CB GLU B 55 2.044 -11.760 12.782 1.00 24.43 C ATOM 1424 CG GLU B 55 2.971 -11.279 11.660 1.00 52.05 C ATOM 1425 CD GLU B 55 4.392 -11.050 12.136 1.00 23.40 C ATOM 1426 OE1 GLU B 55 4.610 -10.048 12.853 1.00 52.44 O ATOM 1427 OE2 GLU B 55 5.270 -11.839 11.713 1.00 73.24 O ATOM 0 H GLU B 55 1.616 -13.666 11.395 1.00 14.54 H new ATOM 0 HA GLU B 55 -0.093 -12.132 13.066 1.00 1.44 H new ATOM 0 HB2 GLU B 55 1.991 -11.001 13.562 1.00 24.43 H new ATOM 0 HB3 GLU B 55 2.459 -12.658 13.239 1.00 24.43 H new ATOM 0 HG2 GLU B 55 2.975 -12.015 10.856 1.00 52.05 H new ATOM 0 HG3 GLU B 55 2.578 -10.352 11.241 1.00 52.05 H new ATOM 1432 N THR B 56 -0.149 -11.078 10.092 1.00 12.52 N ATOM 1433 CA THR B 56 -0.635 -10.014 9.203 1.00 34.21 C ATOM 1434 C THR B 56 -2.037 -10.296 8.650 1.00 64.22 C ATOM 1435 O THR B 56 -2.717 -9.375 8.186 1.00 53.41 O ATOM 1436 CB THR B 56 0.375 -9.753 8.072 1.00 40.21 C ATOM 1437 OG1 THR B 56 0.555 -10.895 7.265 1.00 62.52 O ATOM 1438 CG2 THR B 56 1.752 -9.335 8.590 1.00 64.22 C ATOM 0 H THR B 56 -0.031 -11.977 9.625 1.00 12.52 H new ATOM 0 HA THR B 56 -0.724 -9.109 9.804 1.00 34.21 H new ATOM 0 HB THR B 56 -0.055 -8.936 7.492 1.00 40.21 H new ATOM 0 HG1 THR B 56 1.417 -11.311 7.475 1.00 62.52 H new ATOM 0 HG21 THR B 56 2.422 -9.165 7.747 1.00 64.22 H new ATOM 0 HG22 THR B 56 1.659 -8.417 9.171 1.00 64.22 H new ATOM 0 HG23 THR B 56 2.158 -10.125 9.222 1.00 64.22 H new ATOM 1446 N ARG B 57 -2.498 -11.551 8.700 1.00 33.32 N ATOM 1447 CA ARG B 57 -3.811 -11.954 8.208 1.00 65.52 C ATOM 1448 C ARG B 57 -4.886 -11.066 8.826 1.00 44.22 C ATOM 1449 O ARG B 57 -4.961 -10.932 10.047 1.00 63.23 O ATOM 1450 CB ARG B 57 -4.033 -13.451 8.482 1.00 54.23 C ATOM 1451 CG ARG B 57 -3.454 -14.287 7.332 1.00 63.02 C ATOM 1452 CD ARG B 57 -3.322 -15.765 7.700 1.00 75.44 C ATOM 1453 NE ARG B 57 -2.915 -16.579 6.541 1.00 4.31 N ATOM 1454 CZ ARG B 57 -2.361 -17.799 6.596 1.00 72.03 C ATOM 1455 NH1 ARG B 57 -2.303 -18.476 7.742 1.00 31.01 N ATOM 1456 NH2 ARG B 57 -1.890 -18.349 5.483 1.00 4.23 N ATOM 0 H ARG B 57 -1.958 -12.323 9.090 1.00 33.32 H new ATOM 0 HA ARG B 57 -3.871 -11.819 7.128 1.00 65.52 H new ATOM 0 HB2 ARG B 57 -3.557 -13.732 9.422 1.00 54.23 H new ATOM 0 HB3 ARG B 57 -5.098 -13.655 8.590 1.00 54.23 H new ATOM 0 HG2 ARG B 57 -4.095 -14.189 6.456 1.00 63.02 H new ATOM 0 HG3 ARG B 57 -2.475 -13.894 7.057 1.00 63.02 H new ATOM 0 HD2 ARG B 57 -2.589 -15.877 8.499 1.00 75.44 H new ATOM 0 HD3 ARG B 57 -4.274 -16.131 8.086 1.00 75.44 H new ATOM 0 HE ARG B 57 -3.068 -16.179 5.615 1.00 4.31 H new ATOM 0 HH11 ARG B 57 -2.684 -18.067 8.596 1.00 31.01 H new ATOM 0 HH12 ARG B 57 -1.878 -19.403 7.766 1.00 31.01 H new ATOM 0 HH21 ARG B 57 -1.952 -17.844 4.599 1.00 4.23 H new ATOM 0 HH22 ARG B 57 -1.466 -19.276 5.512 1.00 4.23 H new ATOM 1467 N GLY B 58 -5.722 -10.472 7.975 1.00 32.02 N ATOM 1468 CA GLY B 58 -6.800 -9.584 8.376 1.00 21.15 C ATOM 1469 C GLY B 58 -6.465 -8.111 8.147 1.00 70.13 C ATOM 1470 O GLY B 58 -7.263 -7.258 8.544 1.00 33.15 O ATOM 0 H GLY B 58 -5.663 -10.601 6.965 1.00 32.02 H new ATOM 0 HA2 GLY B 58 -7.701 -9.838 7.819 1.00 21.15 H new ATOM 0 HA3 GLY B 58 -7.022 -9.742 9.431 1.00 21.15 H new ATOM 1474 N THR B 59 -5.318 -7.771 7.555 1.00 44.14 N ATOM 1475 CA THR B 59 -4.930 -6.393 7.256 1.00 32.04 C ATOM 1476 C THR B 59 -4.556 -6.331 5.777 1.00 70.21 C ATOM 1477 O THR B 59 -4.070 -7.319 5.212 1.00 43.00 O ATOM 1478 CB THR B 59 -3.878 -5.841 8.219 1.00 22.54 C ATOM 1479 OG1 THR B 59 -2.706 -6.629 8.263 1.00 30.33 O ATOM 1480 CG2 THR B 59 -4.459 -5.677 9.624 1.00 25.15 C ATOM 0 H THR B 59 -4.622 -8.458 7.266 1.00 44.14 H new ATOM 0 HA THR B 59 -5.767 -5.715 7.425 1.00 32.04 H new ATOM 0 HB THR B 59 -3.591 -4.863 7.833 1.00 22.54 H new ATOM 0 HG1 THR B 59 -2.946 -7.577 8.192 1.00 30.33 H new ATOM 0 HG21 THR B 59 -3.692 -5.283 10.291 1.00 25.15 H new ATOM 0 HG22 THR B 59 -5.301 -4.986 9.591 1.00 25.15 H new ATOM 0 HG23 THR B 59 -4.798 -6.645 9.993 1.00 25.15 H new ATOM 1488 N ALA B 60 -4.824 -5.197 5.130 1.00 2.10 N ATOM 1489 CA ALA B 60 -4.548 -5.019 3.717 1.00 34.31 C ATOM 1490 C ALA B 60 -4.389 -3.547 3.368 1.00 41.15 C ATOM 1491 O ALA B 60 -4.628 -2.676 4.204 1.00 41.21 O ATOM 1492 CB ALA B 60 -5.738 -5.591 2.944 1.00 12.41 C ATOM 0 H ALA B 60 -5.239 -4.379 5.577 1.00 2.10 H new ATOM 0 HA ALA B 60 -3.618 -5.526 3.459 1.00 34.31 H new ATOM 0 HB1 ALA B 60 -5.566 -5.475 1.874 1.00 12.41 H new ATOM 0 HB2 ALA B 60 -5.851 -6.649 3.181 1.00 12.41 H new ATOM 0 HB3 ALA B 60 -6.646 -5.057 3.226 1.00 12.41 H new ATOM 1498 N TYR B 61 -4.016 -3.284 2.118 1.00 52.33 N ATOM 1499 CA TYR B 61 -3.818 -1.948 1.585 1.00 11.34 C ATOM 1500 C TYR B 61 -4.536 -1.832 0.246 1.00 10.34 C ATOM 1501 O TYR B 61 -4.769 -2.835 -0.439 1.00 74.52 O ATOM 1502 CB TYR B 61 -2.317 -1.673 1.412 1.00 35.24 C ATOM 1503 CG TYR B 61 -1.531 -1.643 2.709 1.00 31.21 C ATOM 1504 CD1 TYR B 61 -1.420 -0.439 3.430 1.00 62.00 C ATOM 1505 CD2 TYR B 61 -0.907 -2.811 3.191 1.00 5.12 C ATOM 1506 CE1 TYR B 61 -0.683 -0.394 4.624 1.00 21.40 C ATOM 1507 CE2 TYR B 61 -0.178 -2.777 4.394 1.00 71.25 C ATOM 1508 CZ TYR B 61 -0.065 -1.568 5.113 1.00 15.40 C ATOM 1509 OH TYR B 61 0.694 -1.530 6.240 1.00 34.31 O ATOM 0 H TYR B 61 -3.839 -4.018 1.432 1.00 52.33 H new ATOM 0 HA TYR B 61 -4.228 -1.212 2.276 1.00 11.34 H new ATOM 0 HB2 TYR B 61 -1.893 -2.438 0.762 1.00 35.24 H new ATOM 0 HB3 TYR B 61 -2.192 -0.717 0.903 1.00 35.24 H new ATOM 0 HD1 TYR B 61 -1.904 0.454 3.063 1.00 62.00 H new ATOM 0 HD2 TYR B 61 -0.988 -3.734 2.636 1.00 5.12 H new ATOM 0 HE1 TYR B 61 -0.588 0.535 5.167 1.00 21.40 H new ATOM 0 HE2 TYR B 61 0.294 -3.674 4.766 1.00 71.25 H new ATOM 0 HH TYR B 61 0.884 -2.444 6.538 1.00 34.31 H new ATOM 1518 N VAL B 62 -4.889 -0.607 -0.130 1.00 65.33 N ATOM 1519 CA VAL B 62 -5.560 -0.263 -1.378 1.00 52.42 C ATOM 1520 C VAL B 62 -4.863 1.016 -1.845 1.00 73.10 C ATOM 1521 O VAL B 62 -4.517 1.871 -1.028 1.00 22.10 O ATOM 1522 CB VAL B 62 -7.086 -0.090 -1.168 1.00 70.21 C ATOM 1523 CG1 VAL B 62 -7.801 0.321 -2.464 1.00 71.42 C ATOM 1524 CG2 VAL B 62 -7.744 -1.391 -0.678 1.00 34.34 C ATOM 0 H VAL B 62 -4.707 0.209 0.454 1.00 65.33 H new ATOM 0 HA VAL B 62 -5.485 -1.046 -2.133 1.00 52.42 H new ATOM 0 HB VAL B 62 -7.190 0.694 -0.418 1.00 70.21 H new ATOM 0 HG11 VAL B 62 -8.868 0.431 -2.272 1.00 71.42 H new ATOM 0 HG12 VAL B 62 -7.396 1.269 -2.818 1.00 71.42 H new ATOM 0 HG13 VAL B 62 -7.647 -0.445 -3.224 1.00 71.42 H new ATOM 0 HG21 VAL B 62 -8.813 -1.229 -0.543 1.00 34.34 H new ATOM 0 HG22 VAL B 62 -7.587 -2.178 -1.415 1.00 34.34 H new ATOM 0 HG23 VAL B 62 -7.299 -1.689 0.271 1.00 34.34 H new ATOM 1534 N VAL B 63 -4.613 1.136 -3.143 1.00 45.13 N ATOM 1535 CA VAL B 63 -3.961 2.286 -3.747 1.00 53.35 C ATOM 1536 C VAL B 63 -4.884 2.735 -4.871 1.00 20.41 C ATOM 1537 O VAL B 63 -5.232 1.903 -5.709 1.00 2.15 O ATOM 1538 CB VAL B 63 -2.558 1.886 -4.265 1.00 3.44 C ATOM 1539 CG1 VAL B 63 -1.772 3.104 -4.777 1.00 52.34 C ATOM 1540 CG2 VAL B 63 -1.725 1.155 -3.197 1.00 22.31 C ATOM 0 H VAL B 63 -4.866 0.416 -3.820 1.00 45.13 H new ATOM 0 HA VAL B 63 -3.801 3.099 -3.039 1.00 53.35 H new ATOM 0 HB VAL B 63 -2.732 1.200 -5.094 1.00 3.44 H new ATOM 0 HG11 VAL B 63 -0.793 2.782 -5.132 1.00 52.34 H new ATOM 0 HG12 VAL B 63 -2.319 3.572 -5.596 1.00 52.34 H new ATOM 0 HG13 VAL B 63 -1.646 3.823 -3.967 1.00 52.34 H new ATOM 0 HG21 VAL B 63 -0.750 0.896 -3.610 1.00 22.31 H new ATOM 0 HG22 VAL B 63 -1.592 1.805 -2.332 1.00 22.31 H new ATOM 0 HG23 VAL B 63 -2.243 0.246 -2.891 1.00 22.31 H new ATOM 1550 N TYR B 64 -5.332 3.989 -4.868 1.00 33.14 N ATOM 1551 CA TYR B 64 -6.193 4.533 -5.917 1.00 33.21 C ATOM 1552 C TYR B 64 -5.284 5.297 -6.885 1.00 23.41 C ATOM 1553 O TYR B 64 -4.092 5.500 -6.604 1.00 24.45 O ATOM 1554 CB TYR B 64 -7.311 5.402 -5.326 1.00 32.14 C ATOM 1555 CG TYR B 64 -8.521 4.592 -4.899 1.00 31.42 C ATOM 1556 CD1 TYR B 64 -9.483 4.227 -5.860 1.00 15.21 C ATOM 1557 CD2 TYR B 64 -8.669 4.157 -3.568 1.00 31.21 C ATOM 1558 CE1 TYR B 64 -10.577 3.416 -5.511 1.00 44.32 C ATOM 1559 CE2 TYR B 64 -9.779 3.372 -3.203 1.00 71.42 C ATOM 1560 CZ TYR B 64 -10.733 2.985 -4.175 1.00 55.44 C ATOM 1561 OH TYR B 64 -11.771 2.176 -3.824 1.00 15.25 O ATOM 0 H TYR B 64 -5.107 4.660 -4.134 1.00 33.14 H new ATOM 0 HA TYR B 64 -6.712 3.740 -6.456 1.00 33.21 H new ATOM 0 HB2 TYR B 64 -6.924 5.949 -4.466 1.00 32.14 H new ATOM 0 HB3 TYR B 64 -7.618 6.143 -6.064 1.00 32.14 H new ATOM 0 HD1 TYR B 64 -9.379 4.574 -6.877 1.00 15.21 H new ATOM 0 HD2 TYR B 64 -7.931 4.426 -2.827 1.00 31.21 H new ATOM 0 HE1 TYR B 64 -11.296 3.123 -6.262 1.00 44.32 H new ATOM 0 HE2 TYR B 64 -9.904 3.063 -2.176 1.00 71.42 H new ATOM 0 HH TYR B 64 -12.229 1.862 -4.632 1.00 15.25 H new ATOM 1570 N GLU B 65 -5.794 5.641 -8.066 1.00 70.40 N ATOM 1571 CA GLU B 65 -5.006 6.353 -9.058 1.00 22.22 C ATOM 1572 C GLU B 65 -4.777 7.793 -8.600 1.00 64.25 C ATOM 1573 O GLU B 65 -3.636 8.263 -8.657 1.00 12.12 O ATOM 1574 CB GLU B 65 -5.656 6.320 -10.444 1.00 72.44 C ATOM 1575 CG GLU B 65 -6.082 4.917 -10.914 1.00 51.43 C ATOM 1576 CD GLU B 65 -6.590 4.957 -12.357 1.00 30.50 C ATOM 1577 OE1 GLU B 65 -7.175 5.985 -12.764 1.00 72.11 O ATOM 1578 OE2 GLU B 65 -6.378 3.993 -13.124 1.00 31.43 O ATOM 0 H GLU B 65 -6.750 5.436 -8.355 1.00 70.40 H new ATOM 0 HA GLU B 65 -4.045 5.846 -9.149 1.00 22.22 H new ATOM 0 HB2 GLU B 65 -6.532 6.969 -10.437 1.00 72.44 H new ATOM 0 HB3 GLU B 65 -4.957 6.736 -11.170 1.00 72.44 H new ATOM 0 HG2 GLU B 65 -5.237 4.232 -10.840 1.00 51.43 H new ATOM 0 HG3 GLU B 65 -6.863 4.531 -10.259 1.00 51.43 H new ATOM 1583 N ASP B 66 -5.817 8.501 -8.151 1.00 15.41 N ATOM 1584 CA ASP B 66 -5.702 9.887 -7.682 1.00 20.44 C ATOM 1585 C ASP B 66 -6.208 10.016 -6.246 1.00 24.15 C ATOM 1586 O ASP B 66 -7.057 9.245 -5.787 1.00 44.20 O ATOM 1587 CB ASP B 66 -6.369 10.882 -8.649 1.00 31.43 C ATOM 1588 CG ASP B 66 -5.380 11.962 -9.095 1.00 73.15 C ATOM 1589 OD1 ASP B 66 -4.528 11.676 -9.963 1.00 62.02 O ATOM 1590 OD2 ASP B 66 -5.429 13.102 -8.572 1.00 4.53 O ATOM 0 H ASP B 66 -6.766 8.129 -8.102 1.00 15.41 H new ATOM 0 HA ASP B 66 -4.645 10.155 -7.672 1.00 20.44 H new ATOM 0 HB2 ASP B 66 -6.748 10.349 -9.521 1.00 31.43 H new ATOM 0 HB3 ASP B 66 -7.226 11.348 -8.163 1.00 31.43 H new ATOM 1594 N ILE B 67 -5.705 11.024 -5.532 1.00 2.33 N ATOM 1595 CA ILE B 67 -6.056 11.289 -4.139 1.00 72.00 C ATOM 1596 C ILE B 67 -7.551 11.512 -3.913 1.00 0.21 C ATOM 1597 O ILE B 67 -8.080 11.079 -2.892 1.00 32.23 O ATOM 1598 CB ILE B 67 -5.229 12.485 -3.611 1.00 33.44 C ATOM 1599 CG1 ILE B 67 -5.483 12.674 -2.101 1.00 34.12 C ATOM 1600 CG2 ILE B 67 -5.471 13.798 -4.381 1.00 44.23 C ATOM 1601 CD1 ILE B 67 -4.405 13.538 -1.443 1.00 11.30 C ATOM 0 H ILE B 67 -5.032 11.689 -5.913 1.00 2.33 H new ATOM 0 HA ILE B 67 -5.808 10.391 -3.573 1.00 72.00 H new ATOM 0 HB ILE B 67 -4.181 12.239 -3.780 1.00 33.44 H new ATOM 0 HG12 ILE B 67 -6.459 13.136 -1.952 1.00 34.12 H new ATOM 0 HG13 ILE B 67 -5.514 11.700 -1.614 1.00 34.12 H new ATOM 0 HG21 ILE B 67 -4.856 14.590 -3.953 1.00 44.23 H new ATOM 0 HG22 ILE B 67 -5.205 13.659 -5.429 1.00 44.23 H new ATOM 0 HG23 ILE B 67 -6.523 14.075 -4.307 1.00 44.23 H new ATOM 0 HD11 ILE B 67 -4.623 13.645 -0.380 1.00 11.30 H new ATOM 0 HD12 ILE B 67 -3.432 13.063 -1.568 1.00 11.30 H new ATOM 0 HD13 ILE B 67 -4.391 14.522 -1.912 1.00 11.30 H new ATOM 1612 N PHE B 68 -8.232 12.181 -4.845 1.00 23.04 N ATOM 1613 CA PHE B 68 -9.649 12.480 -4.722 1.00 3.44 C ATOM 1614 C PHE B 68 -10.472 11.217 -4.558 1.00 50.20 C ATOM 1615 O PHE B 68 -11.287 11.170 -3.636 1.00 1.33 O ATOM 1616 CB PHE B 68 -10.118 13.332 -5.904 1.00 12.25 C ATOM 1617 CG PHE B 68 -9.214 14.515 -6.176 1.00 41.52 C ATOM 1618 CD1 PHE B 68 -8.977 15.458 -5.161 1.00 70.11 C ATOM 1619 CD2 PHE B 68 -8.561 14.647 -7.415 1.00 51.23 C ATOM 1620 CE1 PHE B 68 -8.101 16.531 -5.376 1.00 75.03 C ATOM 1621 CE2 PHE B 68 -7.688 15.725 -7.630 1.00 53.31 C ATOM 1622 CZ PHE B 68 -7.454 16.668 -6.612 1.00 3.33 C ATOM 0 H PHE B 68 -7.810 12.529 -5.706 1.00 23.04 H new ATOM 0 HA PHE B 68 -9.801 13.064 -3.815 1.00 3.44 H new ATOM 0 HB2 PHE B 68 -10.169 12.708 -6.796 1.00 12.25 H new ATOM 0 HB3 PHE B 68 -11.128 13.691 -5.708 1.00 12.25 H new ATOM 0 HD1 PHE B 68 -9.474 15.355 -4.208 1.00 70.11 H new ATOM 0 HD2 PHE B 68 -8.731 13.922 -8.197 1.00 51.23 H new ATOM 0 HE1 PHE B 68 -7.925 17.251 -4.591 1.00 75.03 H new ATOM 0 HE2 PHE B 68 -7.192 15.831 -8.584 1.00 53.31 H new ATOM 0 HZ PHE B 68 -6.779 17.494 -6.782 1.00 3.33 H new ATOM 1631 N ASP B 69 -10.243 10.209 -5.402 1.00 55.21 N ATOM 1632 CA ASP B 69 -10.966 8.942 -5.334 1.00 72.21 C ATOM 1633 C ASP B 69 -10.627 8.238 -4.030 1.00 41.34 C ATOM 1634 O ASP B 69 -11.527 7.710 -3.382 1.00 25.22 O ATOM 1635 CB ASP B 69 -10.612 8.015 -6.500 1.00 33.01 C ATOM 1636 CG ASP B 69 -11.220 8.469 -7.822 1.00 11.42 C ATOM 1637 OD1 ASP B 69 -12.451 8.685 -7.894 1.00 62.10 O ATOM 1638 OD2 ASP B 69 -10.466 8.580 -8.816 1.00 72.24 O ATOM 0 H ASP B 69 -9.551 10.250 -6.151 1.00 55.21 H new ATOM 0 HA ASP B 69 -12.031 9.167 -5.390 1.00 72.21 H new ATOM 0 HB2 ASP B 69 -9.528 7.965 -6.602 1.00 33.01 H new ATOM 0 HB3 ASP B 69 -10.958 7.006 -6.274 1.00 33.01 H new ATOM 1642 N ALA B 70 -9.352 8.271 -3.618 1.00 23.45 N ATOM 1643 CA ALA B 70 -8.923 7.635 -2.382 1.00 2.20 C ATOM 1644 C ALA B 70 -9.727 8.180 -1.203 1.00 13.23 C ATOM 1645 O ALA B 70 -10.328 7.404 -0.462 1.00 12.31 O ATOM 1646 CB ALA B 70 -7.417 7.812 -2.150 1.00 54.21 C ATOM 0 H ALA B 70 -8.603 8.736 -4.131 1.00 23.45 H new ATOM 0 HA ALA B 70 -9.112 6.565 -2.468 1.00 2.20 H new ATOM 0 HB1 ALA B 70 -7.133 7.324 -1.218 1.00 54.21 H new ATOM 0 HB2 ALA B 70 -6.866 7.364 -2.977 1.00 54.21 H new ATOM 0 HB3 ALA B 70 -7.180 8.874 -2.090 1.00 54.21 H new ATOM 1652 N LYS B 71 -9.745 9.507 -1.015 1.00 24.23 N ATOM 1653 CA LYS B 71 -10.492 10.093 0.098 1.00 44.11 C ATOM 1654 C LYS B 71 -12.004 9.968 -0.101 1.00 4.43 C ATOM 1655 O LYS B 71 -12.719 9.850 0.892 1.00 61.31 O ATOM 1656 CB LYS B 71 -9.999 11.507 0.426 1.00 31.20 C ATOM 1657 CG LYS B 71 -10.203 12.599 -0.627 1.00 41.35 C ATOM 1658 CD LYS B 71 -9.645 13.949 -0.146 1.00 52.21 C ATOM 1659 CE LYS B 71 -9.739 15.039 -1.216 1.00 2.10 C ATOM 1660 NZ LYS B 71 -11.127 15.355 -1.603 1.00 64.34 N ATOM 0 H LYS B 71 -9.260 10.180 -1.608 1.00 24.23 H new ATOM 0 HA LYS B 71 -10.285 9.510 0.995 1.00 44.11 H new ATOM 0 HB2 LYS B 71 -10.494 11.829 1.342 1.00 31.20 H new ATOM 0 HB3 LYS B 71 -8.933 11.447 0.644 1.00 31.20 H new ATOM 0 HG2 LYS B 71 -9.710 12.309 -1.555 1.00 41.35 H new ATOM 0 HG3 LYS B 71 -11.265 12.700 -0.848 1.00 41.35 H new ATOM 0 HD2 LYS B 71 -10.191 14.268 0.742 1.00 52.21 H new ATOM 0 HD3 LYS B 71 -8.603 13.823 0.149 1.00 52.21 H new ATOM 0 HE2 LYS B 71 -9.257 15.944 -0.847 1.00 2.10 H new ATOM 0 HE3 LYS B 71 -9.186 14.721 -2.100 1.00 2.10 H new ATOM 0 HZ1 LYS B 71 -11.125 16.111 -2.317 1.00 64.34 H new ATOM 0 HZ2 LYS B 71 -11.579 14.506 -1.999 1.00 64.34 H new ATOM 0 HZ3 LYS B 71 -11.657 15.671 -0.766 1.00 64.34 H new ATOM 1670 N ASN B 72 -12.485 9.965 -1.351 1.00 72.33 N ATOM 1671 CA ASN B 72 -13.907 9.825 -1.674 1.00 71.02 C ATOM 1672 C ASN B 72 -14.391 8.493 -1.114 1.00 23.14 C ATOM 1673 O ASN B 72 -15.339 8.450 -0.328 1.00 51.31 O ATOM 1674 CB ASN B 72 -14.157 9.930 -3.189 1.00 31.55 C ATOM 1675 CG ASN B 72 -15.634 10.025 -3.543 1.00 14.52 C ATOM 1676 OD1 ASN B 72 -16.339 10.922 -3.087 1.00 12.05 O ATOM 1677 ND2 ASN B 72 -16.109 9.182 -4.440 1.00 5.50 N ATOM 0 H ASN B 72 -11.890 10.061 -2.174 1.00 72.33 H new ATOM 0 HA ASN B 72 -14.470 10.640 -1.219 1.00 71.02 H new ATOM 0 HB2 ASN B 72 -13.639 10.807 -3.577 1.00 31.55 H new ATOM 0 HB3 ASN B 72 -13.726 9.060 -3.684 1.00 31.55 H new ATOM 0 HD21 ASN B 72 -17.072 9.270 -4.763 1.00 5.50 H new ATOM 0 HD22 ASN B 72 -15.513 8.442 -4.810 1.00 5.50 H new ATOM 1683 N ALA B 73 -13.691 7.421 -1.491 1.00 3.32 N ATOM 1684 CA ALA B 73 -13.969 6.068 -1.057 1.00 2.41 C ATOM 1685 C ALA B 73 -13.767 5.935 0.449 1.00 63.50 C ATOM 1686 O ALA B 73 -14.600 5.330 1.113 1.00 42.10 O ATOM 1687 CB ALA B 73 -13.000 5.109 -1.754 1.00 42.23 C ATOM 0 H ALA B 73 -12.894 7.482 -2.125 1.00 3.32 H new ATOM 0 HA ALA B 73 -15.003 5.829 -1.308 1.00 2.41 H new ATOM 0 HB1 ALA B 73 -13.204 4.088 -1.432 1.00 42.23 H new ATOM 0 HB2 ALA B 73 -13.130 5.181 -2.834 1.00 42.23 H new ATOM 0 HB3 ALA B 73 -11.975 5.374 -1.493 1.00 42.23 H new ATOM 1693 N CYS B 74 -12.676 6.504 0.978 1.00 23.43 N ATOM 1694 CA CYS B 74 -12.308 6.446 2.383 1.00 32.44 C ATOM 1695 C CYS B 74 -13.473 6.749 3.317 1.00 15.24 C ATOM 1696 O CYS B 74 -13.941 5.835 3.992 1.00 42.11 O ATOM 1697 CB CYS B 74 -11.077 7.321 2.672 1.00 73.44 C ATOM 1698 SG CYS B 74 -10.384 6.931 4.303 1.00 21.53 S ATOM 0 H CYS B 74 -12.009 7.032 0.415 1.00 23.43 H new ATOM 0 HA CYS B 74 -12.030 5.413 2.595 1.00 32.44 H new ATOM 0 HB2 CYS B 74 -10.322 7.161 1.902 1.00 73.44 H new ATOM 0 HB3 CYS B 74 -11.355 8.374 2.632 1.00 73.44 H new ATOM 0 HG CYS B 74 -9.252 7.552 4.453 1.00 21.53 H new ATOM 1703 N ASP B 75 -13.961 7.991 3.363 1.00 4.12 N ATOM 1704 CA ASP B 75 -15.054 8.331 4.278 1.00 65.41 C ATOM 1705 C ASP B 75 -16.380 7.669 3.934 1.00 35.24 C ATOM 1706 O ASP B 75 -17.190 7.425 4.834 1.00 13.41 O ATOM 1707 CB ASP B 75 -15.233 9.848 4.407 1.00 21.22 C ATOM 1708 CG ASP B 75 -14.240 10.509 5.361 1.00 71.21 C ATOM 1709 OD1 ASP B 75 -13.906 9.912 6.409 1.00 62.12 O ATOM 1710 OD2 ASP B 75 -13.827 11.657 5.067 1.00 51.31 O ATOM 0 H ASP B 75 -13.625 8.765 2.790 1.00 4.12 H new ATOM 0 HA ASP B 75 -14.749 7.925 5.243 1.00 65.41 H new ATOM 0 HB2 ASP B 75 -15.131 10.301 3.421 1.00 21.22 H new ATOM 0 HB3 ASP B 75 -16.246 10.057 4.751 1.00 21.22 H new ATOM 1714 N HIS B 76 -16.628 7.351 2.663 1.00 54.24 N ATOM 1715 CA HIS B 76 -17.878 6.702 2.301 1.00 72.41 C ATOM 1716 C HIS B 76 -17.887 5.264 2.840 1.00 63.11 C ATOM 1717 O HIS B 76 -18.935 4.759 3.256 1.00 35.12 O ATOM 1718 CB HIS B 76 -18.064 6.732 0.777 1.00 20.33 C ATOM 1719 CG HIS B 76 -19.466 6.397 0.324 1.00 73.13 C ATOM 1720 ND1 HIS B 76 -20.459 5.804 1.072 1.00 30.30 N ATOM 1721 CD2 HIS B 76 -19.999 6.696 -0.898 1.00 63.14 C ATOM 1722 CE1 HIS B 76 -21.569 5.755 0.320 1.00 4.23 C ATOM 1723 NE2 HIS B 76 -21.341 6.295 -0.890 1.00 32.43 N ATOM 0 H HIS B 76 -15.992 7.529 1.885 1.00 54.24 H new ATOM 0 HA HIS B 76 -18.714 7.239 2.749 1.00 72.41 H new ATOM 0 HB2 HIS B 76 -17.801 7.723 0.408 1.00 20.33 H new ATOM 0 HB3 HIS B 76 -17.368 6.028 0.322 1.00 20.33 H new ATOM 0 HD1 HIS B 76 -20.367 5.462 2.029 1.00 30.30 H new ATOM 0 HD2 HIS B 76 -19.478 7.159 -1.723 1.00 63.14 H new ATOM 0 HE1 HIS B 76 -22.513 5.340 0.641 1.00 4.23 H new ATOM 1730 N LEU B 77 -16.720 4.618 2.878 1.00 33.11 N ATOM 1731 CA LEU B 77 -16.539 3.246 3.334 1.00 44.10 C ATOM 1732 C LEU B 77 -16.251 3.148 4.829 1.00 31.32 C ATOM 1733 O LEU B 77 -16.525 2.115 5.437 1.00 71.33 O ATOM 1734 CB LEU B 77 -15.359 2.668 2.537 1.00 10.12 C ATOM 1735 CG LEU B 77 -15.112 1.163 2.720 1.00 63.33 C ATOM 1736 CD1 LEU B 77 -16.278 0.329 2.178 1.00 30.24 C ATOM 1737 CD2 LEU B 77 -13.811 0.801 1.994 1.00 23.50 C ATOM 0 H LEU B 77 -15.847 5.054 2.581 1.00 33.11 H new ATOM 0 HA LEU B 77 -17.462 2.690 3.169 1.00 44.10 H new ATOM 0 HB2 LEU B 77 -15.527 2.865 1.478 1.00 10.12 H new ATOM 0 HB3 LEU B 77 -14.454 3.204 2.821 1.00 10.12 H new ATOM 0 HG LEU B 77 -15.030 0.939 3.784 1.00 63.33 H new ATOM 0 HD11 LEU B 77 -16.067 -0.730 2.325 1.00 30.24 H new ATOM 0 HD12 LEU B 77 -17.192 0.594 2.709 1.00 30.24 H new ATOM 0 HD13 LEU B 77 -16.405 0.529 1.114 1.00 30.24 H new ATOM 0 HD21 LEU B 77 -13.614 -0.265 2.110 1.00 23.50 H new ATOM 0 HD22 LEU B 77 -13.907 1.039 0.935 1.00 23.50 H new ATOM 0 HD23 LEU B 77 -12.986 1.371 2.421 1.00 23.50 H new ATOM 1748 N SER B 78 -15.707 4.191 5.448 1.00 42.53 N ATOM 1749 CA SER B 78 -15.357 4.247 6.857 1.00 31.12 C ATOM 1750 C SER B 78 -16.587 3.965 7.733 1.00 22.10 C ATOM 1751 O SER B 78 -17.519 4.769 7.813 1.00 1.31 O ATOM 1752 CB SER B 78 -14.674 5.595 7.128 1.00 31.33 C ATOM 1753 OG SER B 78 -13.938 5.608 8.329 1.00 13.34 O ATOM 0 H SER B 78 -15.490 5.058 4.956 1.00 42.53 H new ATOM 0 HA SER B 78 -14.646 3.465 7.123 1.00 31.12 H new ATOM 0 HB2 SER B 78 -14.008 5.832 6.298 1.00 31.33 H new ATOM 0 HB3 SER B 78 -15.431 6.379 7.164 1.00 31.33 H new ATOM 0 HG SER B 78 -13.524 6.488 8.450 1.00 13.34 H new ATOM 1758 N GLY B 79 -16.590 2.818 8.415 1.00 4.43 N ATOM 1759 CA GLY B 79 -17.643 2.346 9.307 1.00 21.41 C ATOM 1760 C GLY B 79 -18.654 1.406 8.650 1.00 54.33 C ATOM 1761 O GLY B 79 -19.644 1.065 9.295 1.00 74.02 O ATOM 0 H GLY B 79 -15.813 2.160 8.354 1.00 4.43 H new ATOM 0 HA2 GLY B 79 -17.184 1.833 10.152 1.00 21.41 H new ATOM 0 HA3 GLY B 79 -18.175 3.208 9.709 1.00 21.41 H new ATOM 1765 N PHE B 80 -18.413 0.932 7.424 1.00 4.11 N ATOM 1766 CA PHE B 80 -19.316 0.024 6.719 1.00 53.31 C ATOM 1767 C PHE B 80 -19.466 -1.295 7.499 1.00 30.24 C ATOM 1768 O PHE B 80 -18.462 -1.883 7.926 1.00 12.21 O ATOM 1769 CB PHE B 80 -18.805 -0.179 5.282 1.00 31.31 C ATOM 1770 CG PHE B 80 -19.737 -0.885 4.312 1.00 10.43 C ATOM 1771 CD1 PHE B 80 -21.130 -0.666 4.338 1.00 50.11 C ATOM 1772 CD2 PHE B 80 -19.189 -1.711 3.311 1.00 51.24 C ATOM 1773 CE1 PHE B 80 -21.961 -1.301 3.402 1.00 12.30 C ATOM 1774 CE2 PHE B 80 -20.023 -2.331 2.364 1.00 4.01 C ATOM 1775 CZ PHE B 80 -21.411 -2.132 2.416 1.00 73.13 C ATOM 0 H PHE B 80 -17.577 1.171 6.890 1.00 4.11 H new ATOM 0 HA PHE B 80 -20.315 0.455 6.655 1.00 53.31 H new ATOM 0 HB2 PHE B 80 -18.562 0.799 4.867 1.00 31.31 H new ATOM 0 HB3 PHE B 80 -17.874 -0.744 5.330 1.00 31.31 H new ATOM 0 HD1 PHE B 80 -21.558 -0.008 5.080 1.00 50.11 H new ATOM 0 HD2 PHE B 80 -18.121 -1.869 3.271 1.00 51.24 H new ATOM 0 HE1 PHE B 80 -23.029 -1.149 3.442 1.00 12.30 H new ATOM 0 HE2 PHE B 80 -19.596 -2.960 1.597 1.00 4.01 H new ATOM 0 HZ PHE B 80 -22.054 -2.618 1.698 1.00 73.13 H new ATOM 1784 N ASN B 81 -20.718 -1.717 7.717 1.00 11.12 N ATOM 1785 CA ASN B 81 -21.139 -2.922 8.438 1.00 2.44 C ATOM 1786 C ASN B 81 -21.252 -4.111 7.482 1.00 64.13 C ATOM 1787 O ASN B 81 -22.257 -4.247 6.784 1.00 24.01 O ATOM 1788 CB ASN B 81 -22.501 -2.657 9.104 1.00 43.40 C ATOM 1789 CG ASN B 81 -23.056 -3.869 9.849 1.00 43.21 C ATOM 1790 OD1 ASN B 81 -22.375 -4.864 10.096 1.00 22.54 O ATOM 1791 ND2 ASN B 81 -24.325 -3.827 10.210 1.00 20.11 N ATOM 0 H ASN B 81 -21.518 -1.188 7.370 1.00 11.12 H new ATOM 0 HA ASN B 81 -20.394 -3.163 9.197 1.00 2.44 H new ATOM 0 HB2 ASN B 81 -22.401 -1.825 9.801 1.00 43.40 H new ATOM 0 HB3 ASN B 81 -23.217 -2.349 8.342 1.00 43.40 H new ATOM 0 HD21 ASN B 81 -24.744 -4.621 10.695 1.00 20.11 H new ATOM 0 HD22 ASN B 81 -24.887 -3.001 10.004 1.00 20.11 H new ATOM 1797 N VAL B 82 -20.259 -4.996 7.457 1.00 72.22 N ATOM 1798 CA VAL B 82 -20.218 -6.165 6.584 1.00 71.23 C ATOM 1799 C VAL B 82 -20.024 -7.441 7.402 1.00 52.41 C ATOM 1800 O VAL B 82 -19.160 -7.493 8.278 1.00 24.12 O ATOM 1801 CB VAL B 82 -19.139 -5.950 5.504 1.00 31.04 C ATOM 1802 CG1 VAL B 82 -19.548 -4.785 4.597 1.00 10.43 C ATOM 1803 CG2 VAL B 82 -17.734 -5.662 6.059 1.00 23.32 C ATOM 0 H VAL B 82 -19.439 -4.918 8.059 1.00 72.22 H new ATOM 0 HA VAL B 82 -21.170 -6.291 6.068 1.00 71.23 H new ATOM 0 HB VAL B 82 -19.077 -6.891 4.957 1.00 31.04 H new ATOM 0 HG11 VAL B 82 -18.785 -4.633 3.834 1.00 10.43 H new ATOM 0 HG12 VAL B 82 -20.500 -5.014 4.118 1.00 10.43 H new ATOM 0 HG13 VAL B 82 -19.650 -3.878 5.193 1.00 10.43 H new ATOM 0 HG21 VAL B 82 -17.037 -5.524 5.232 1.00 23.32 H new ATOM 0 HG22 VAL B 82 -17.761 -4.757 6.666 1.00 23.32 H new ATOM 0 HG23 VAL B 82 -17.406 -6.501 6.673 1.00 23.32 H new ATOM 1813 N CYS B 83 -20.818 -8.478 7.111 1.00 50.43 N ATOM 1814 CA CYS B 83 -20.808 -9.777 7.780 1.00 1.43 C ATOM 1815 C CYS B 83 -20.688 -9.641 9.307 1.00 42.44 C ATOM 1816 O CYS B 83 -19.864 -10.305 9.951 1.00 0.43 O ATOM 1817 CB CYS B 83 -19.766 -10.700 7.142 1.00 33.30 C ATOM 1818 SG CYS B 83 -20.419 -11.334 5.571 1.00 50.20 S ATOM 0 H CYS B 83 -21.515 -8.429 6.368 1.00 50.43 H new ATOM 0 HA CYS B 83 -21.774 -10.258 7.628 1.00 1.43 H new ATOM 0 HB2 CYS B 83 -18.836 -10.157 6.971 1.00 33.30 H new ATOM 0 HB3 CYS B 83 -19.534 -11.526 7.814 1.00 33.30 H new ATOM 0 HG CYS B 83 -19.540 -12.117 5.020 1.00 50.20 H new ATOM 1823 N ASN B 84 -21.543 -8.776 9.868 1.00 64.33 N ATOM 1824 CA ASN B 84 -21.673 -8.443 11.284 1.00 44.45 C ATOM 1825 C ASN B 84 -20.379 -7.885 11.886 1.00 23.30 C ATOM 1826 O ASN B 84 -20.056 -8.151 13.045 1.00 55.21 O ATOM 1827 CB ASN B 84 -22.240 -9.647 12.049 1.00 21.32 C ATOM 1828 CG ASN B 84 -22.720 -9.283 13.442 1.00 35.02 C ATOM 1829 OD1 ASN B 84 -23.664 -8.511 13.580 1.00 50.10 O ATOM 1830 ND2 ASN B 84 -22.146 -9.848 14.487 1.00 45.31 N ATOM 0 H ASN B 84 -22.209 -8.255 9.298 1.00 64.33 H new ATOM 0 HA ASN B 84 -22.386 -7.624 11.383 1.00 44.45 H new ATOM 0 HB2 ASN B 84 -23.068 -10.074 11.484 1.00 21.32 H new ATOM 0 HB3 ASN B 84 -21.474 -10.419 12.123 1.00 21.32 H new ATOM 0 HD21 ASN B 84 -22.486 -9.645 15.427 1.00 45.31 H new ATOM 0 HD22 ASN B 84 -21.362 -10.487 14.355 1.00 45.31 H new ATOM 1836 N ARG B 85 -19.588 -7.152 11.105 1.00 14.03 N ATOM 1837 CA ARG B 85 -18.343 -6.542 11.542 1.00 50.31 C ATOM 1838 C ARG B 85 -18.247 -5.168 10.924 1.00 11.12 C ATOM 1839 O ARG B 85 -18.835 -4.900 9.881 1.00 4.40 O ATOM 1840 CB ARG B 85 -17.125 -7.361 11.106 1.00 72.12 C ATOM 1841 CG ARG B 85 -17.098 -8.732 11.770 1.00 53.42 C ATOM 1842 CD ARG B 85 -15.769 -9.419 11.494 1.00 3.23 C ATOM 1843 NE ARG B 85 -15.898 -10.836 11.808 1.00 11.24 N ATOM 1844 CZ ARG B 85 -14.928 -11.701 12.077 1.00 53.22 C ATOM 1845 NH1 ARG B 85 -13.645 -11.344 12.080 1.00 44.04 N ATOM 1846 NH2 ARG B 85 -15.284 -12.942 12.356 1.00 0.14 N ATOM 0 H ARG B 85 -19.805 -6.964 10.126 1.00 14.03 H new ATOM 0 HA ARG B 85 -18.346 -6.493 12.631 1.00 50.31 H new ATOM 0 HB2 ARG B 85 -17.137 -7.482 10.023 1.00 72.12 H new ATOM 0 HB3 ARG B 85 -16.213 -6.818 11.356 1.00 72.12 H new ATOM 0 HG2 ARG B 85 -17.246 -8.627 12.845 1.00 53.42 H new ATOM 0 HG3 ARG B 85 -17.918 -9.344 11.393 1.00 53.42 H new ATOM 0 HD2 ARG B 85 -15.486 -9.288 10.449 1.00 3.23 H new ATOM 0 HD3 ARG B 85 -14.980 -8.969 12.096 1.00 3.23 H new ATOM 0 HE ARG B 85 -16.848 -11.208 11.823 1.00 11.24 H new ATOM 0 HH11 ARG B 85 -13.383 -10.381 11.871 1.00 44.04 H new ATOM 0 HH12 ARG B 85 -12.924 -12.034 12.291 1.00 44.04 H new ATOM 0 HH21 ARG B 85 -16.270 -13.201 12.358 1.00 0.14 H new ATOM 0 HH22 ARG B 85 -14.572 -13.641 12.569 1.00 0.14 H new ATOM 1857 N TYR B 86 -17.440 -4.320 11.541 1.00 14.41 N ATOM 1858 CA TYR B 86 -17.231 -2.969 11.076 1.00 45.21 C ATOM 1859 C TYR B 86 -15.765 -2.848 10.728 1.00 30.22 C ATOM 1860 O TYR B 86 -14.893 -3.087 11.578 1.00 30.22 O ATOM 1861 CB TYR B 86 -17.645 -1.974 12.149 1.00 75.13 C ATOM 1862 CG TYR B 86 -19.112 -2.051 12.512 1.00 44.54 C ATOM 1863 CD1 TYR B 86 -19.569 -3.016 13.429 1.00 30.33 C ATOM 1864 CD2 TYR B 86 -20.019 -1.150 11.933 1.00 13.42 C ATOM 1865 CE1 TYR B 86 -20.934 -3.105 13.747 1.00 4.52 C ATOM 1866 CE2 TYR B 86 -21.378 -1.205 12.273 1.00 3.25 C ATOM 1867 CZ TYR B 86 -21.842 -2.192 13.170 1.00 3.00 C ATOM 1868 OH TYR B 86 -23.151 -2.224 13.519 1.00 11.02 O ATOM 0 H TYR B 86 -16.912 -4.556 12.381 1.00 14.41 H new ATOM 0 HA TYR B 86 -17.839 -2.748 10.199 1.00 45.21 H new ATOM 0 HB2 TYR B 86 -17.048 -2.148 13.044 1.00 75.13 H new ATOM 0 HB3 TYR B 86 -17.417 -0.965 11.805 1.00 75.13 H new ATOM 0 HD1 TYR B 86 -18.865 -3.692 13.891 1.00 30.33 H new ATOM 0 HD2 TYR B 86 -19.670 -0.413 11.225 1.00 13.42 H new ATOM 0 HE1 TYR B 86 -21.286 -3.866 14.428 1.00 4.52 H new ATOM 0 HE2 TYR B 86 -22.070 -0.493 11.849 1.00 3.25 H new ATOM 0 HH TYR B 86 -23.637 -1.528 13.030 1.00 11.02 H new ATOM 1877 N LEU B 87 -15.500 -2.571 9.454 1.00 21.25 N ATOM 1878 CA LEU B 87 -14.135 -2.398 8.985 1.00 65.15 C ATOM 1879 C LEU B 87 -13.634 -1.041 9.498 1.00 11.23 C ATOM 1880 O LEU B 87 -14.355 -0.288 10.171 1.00 52.41 O ATOM 1881 CB LEU B 87 -14.043 -2.454 7.444 1.00 15.12 C ATOM 1882 CG LEU B 87 -14.719 -3.641 6.744 1.00 33.14 C ATOM 1883 CD1 LEU B 87 -14.627 -3.431 5.228 1.00 11.13 C ATOM 1884 CD2 LEU B 87 -14.094 -4.975 7.154 1.00 45.22 C ATOM 0 H LEU B 87 -16.213 -2.462 8.732 1.00 21.25 H new ATOM 0 HA LEU B 87 -13.518 -3.212 9.365 1.00 65.15 H new ATOM 0 HB2 LEU B 87 -14.476 -1.536 7.046 1.00 15.12 H new ATOM 0 HB3 LEU B 87 -12.988 -2.455 7.168 1.00 15.12 H new ATOM 0 HG LEU B 87 -15.765 -3.685 7.048 1.00 33.14 H new ATOM 0 HD11 LEU B 87 -15.103 -4.267 4.715 1.00 11.13 H new ATOM 0 HD12 LEU B 87 -15.133 -2.504 4.958 1.00 11.13 H new ATOM 0 HD13 LEU B 87 -13.580 -3.373 4.932 1.00 11.13 H new ATOM 0 HD21 LEU B 87 -14.601 -5.789 6.636 1.00 45.22 H new ATOM 0 HD22 LEU B 87 -13.037 -4.979 6.888 1.00 45.22 H new ATOM 0 HD23 LEU B 87 -14.198 -5.110 8.231 1.00 45.22 H new ATOM 1895 N VAL B 88 -12.355 -0.781 9.260 1.00 4.45 N ATOM 1896 CA VAL B 88 -11.690 0.461 9.618 1.00 13.44 C ATOM 1897 C VAL B 88 -10.900 0.834 8.366 1.00 50.42 C ATOM 1898 O VAL B 88 -10.292 -0.050 7.746 1.00 12.51 O ATOM 1899 CB VAL B 88 -10.830 0.331 10.892 1.00 71.33 C ATOM 1900 CG1 VAL B 88 -10.331 1.696 11.376 1.00 3.43 C ATOM 1901 CG2 VAL B 88 -11.580 -0.339 12.054 1.00 11.22 C ATOM 0 H VAL B 88 -11.736 -1.448 8.800 1.00 4.45 H new ATOM 0 HA VAL B 88 -12.391 1.250 9.891 1.00 13.44 H new ATOM 0 HB VAL B 88 -9.989 -0.299 10.604 1.00 71.33 H new ATOM 0 HG11 VAL B 88 -9.729 1.565 12.275 1.00 3.43 H new ATOM 0 HG12 VAL B 88 -9.725 2.159 10.597 1.00 3.43 H new ATOM 0 HG13 VAL B 88 -11.184 2.337 11.600 1.00 3.43 H new ATOM 0 HG21 VAL B 88 -10.924 -0.402 12.922 1.00 11.22 H new ATOM 0 HG22 VAL B 88 -12.461 0.251 12.307 1.00 11.22 H new ATOM 0 HG23 VAL B 88 -11.888 -1.342 11.758 1.00 11.22 H new ATOM 1911 N VAL B 89 -10.917 2.110 7.997 1.00 13.13 N ATOM 1912 CA VAL B 89 -10.246 2.670 6.839 1.00 74.41 C ATOM 1913 C VAL B 89 -9.407 3.828 7.367 1.00 50.01 C ATOM 1914 O VAL B 89 -9.933 4.734 8.021 1.00 72.34 O ATOM 1915 CB VAL B 89 -11.276 3.118 5.773 1.00 12.42 C ATOM 1916 CG1 VAL B 89 -10.547 3.405 4.454 1.00 2.50 C ATOM 1917 CG2 VAL B 89 -12.345 2.054 5.482 1.00 22.42 C ATOM 0 H VAL B 89 -11.427 2.815 8.528 1.00 13.13 H new ATOM 0 HA VAL B 89 -9.611 1.940 6.337 1.00 74.41 H new ATOM 0 HB VAL B 89 -11.771 4.003 6.174 1.00 12.42 H new ATOM 0 HG11 VAL B 89 -11.269 3.721 3.701 1.00 2.50 H new ATOM 0 HG12 VAL B 89 -9.814 4.197 4.608 1.00 2.50 H new ATOM 0 HG13 VAL B 89 -10.040 2.502 4.115 1.00 2.50 H new ATOM 0 HG21 VAL B 89 -13.036 2.429 4.727 1.00 22.42 H new ATOM 0 HG22 VAL B 89 -11.865 1.147 5.115 1.00 22.42 H new ATOM 0 HG23 VAL B 89 -12.894 1.830 6.397 1.00 22.42 H new ATOM 1927 N LEU B 90 -8.094 3.779 7.147 1.00 60.14 N ATOM 1928 CA LEU B 90 -7.167 4.806 7.592 1.00 61.30 C ATOM 1929 C LEU B 90 -6.190 5.105 6.456 1.00 31.44 C ATOM 1930 O LEU B 90 -5.950 4.265 5.587 1.00 63.44 O ATOM 1931 CB LEU B 90 -6.446 4.309 8.863 1.00 21.21 C ATOM 1932 CG LEU B 90 -5.553 5.369 9.536 1.00 52.41 C ATOM 1933 CD1 LEU B 90 -6.377 6.515 10.130 1.00 10.14 C ATOM 1934 CD2 LEU B 90 -4.711 4.751 10.654 1.00 40.24 C ATOM 0 H LEU B 90 -7.643 3.013 6.648 1.00 60.14 H new ATOM 0 HA LEU B 90 -7.687 5.730 7.843 1.00 61.30 H new ATOM 0 HB2 LEU B 90 -7.192 3.969 9.581 1.00 21.21 H new ATOM 0 HB3 LEU B 90 -5.834 3.444 8.606 1.00 21.21 H new ATOM 0 HG LEU B 90 -4.903 5.763 8.755 1.00 52.41 H new ATOM 0 HD11 LEU B 90 -5.709 7.240 10.595 1.00 10.14 H new ATOM 0 HD12 LEU B 90 -6.947 7.002 9.339 1.00 10.14 H new ATOM 0 HD13 LEU B 90 -7.062 6.120 10.880 1.00 10.14 H new ATOM 0 HD21 LEU B 90 -4.091 5.522 11.111 1.00 40.24 H new ATOM 0 HD22 LEU B 90 -5.369 4.320 11.409 1.00 40.24 H new ATOM 0 HD23 LEU B 90 -4.073 3.970 10.240 1.00 40.24 H new ATOM 1945 N TYR B 91 -5.656 6.320 6.438 1.00 14.32 N ATOM 1946 CA TYR B 91 -4.690 6.761 5.447 1.00 13.01 C ATOM 1947 C TYR B 91 -3.328 6.122 5.759 1.00 0.20 C ATOM 1948 O TYR B 91 -3.105 5.620 6.866 1.00 73.12 O ATOM 1949 CB TYR B 91 -4.540 8.289 5.560 1.00 33.24 C ATOM 1950 CG TYR B 91 -5.766 9.177 5.367 1.00 11.20 C ATOM 1951 CD1 TYR B 91 -6.970 8.717 4.787 1.00 64.25 C ATOM 1952 CD2 TYR B 91 -5.646 10.539 5.705 1.00 50.21 C ATOM 1953 CE1 TYR B 91 -8.018 9.619 4.520 1.00 14.24 C ATOM 1954 CE2 TYR B 91 -6.697 11.437 5.461 1.00 12.25 C ATOM 1955 CZ TYR B 91 -7.887 10.986 4.852 1.00 23.53 C ATOM 1956 OH TYR B 91 -8.868 11.877 4.543 1.00 11.04 O ATOM 0 H TYR B 91 -5.888 7.037 7.125 1.00 14.32 H new ATOM 0 HA TYR B 91 -5.022 6.477 4.449 1.00 13.01 H new ATOM 0 HB2 TYR B 91 -4.131 8.506 6.547 1.00 33.24 H new ATOM 0 HB3 TYR B 91 -3.793 8.599 4.830 1.00 33.24 H new ATOM 0 HD1 TYR B 91 -7.087 7.670 4.548 1.00 64.25 H new ATOM 0 HD2 TYR B 91 -4.733 10.897 6.158 1.00 50.21 H new ATOM 0 HE1 TYR B 91 -8.927 9.264 4.059 1.00 14.24 H new ATOM 0 HE2 TYR B 91 -6.594 12.475 5.740 1.00 12.25 H new ATOM 0 HH TYR B 91 -8.703 12.721 5.013 1.00 11.04 H new ATOM 1965 N TYR B 92 -2.413 6.122 4.792 1.00 53.31 N ATOM 1966 CA TYR B 92 -1.054 5.607 4.958 1.00 20.33 C ATOM 1967 C TYR B 92 -0.147 6.839 5.071 1.00 23.32 C ATOM 1968 O TYR B 92 -0.505 7.896 4.543 1.00 13.45 O ATOM 1969 CB TYR B 92 -0.673 4.707 3.784 1.00 31.21 C ATOM 1970 CG TYR B 92 0.788 4.303 3.772 1.00 33.32 C ATOM 1971 CD1 TYR B 92 1.338 3.594 4.858 1.00 31.12 C ATOM 1972 CD2 TYR B 92 1.620 4.706 2.710 1.00 1.32 C ATOM 1973 CE1 TYR B 92 2.716 3.314 4.887 1.00 60.53 C ATOM 1974 CE2 TYR B 92 2.987 4.395 2.714 1.00 60.41 C ATOM 1975 CZ TYR B 92 3.540 3.705 3.810 1.00 41.11 C ATOM 1976 OH TYR B 92 4.867 3.423 3.842 1.00 23.32 O ATOM 0 H TYR B 92 -2.597 6.485 3.857 1.00 53.31 H new ATOM 0 HA TYR B 92 -0.957 4.984 5.847 1.00 20.33 H new ATOM 0 HB2 TYR B 92 -1.289 3.808 3.813 1.00 31.21 H new ATOM 0 HB3 TYR B 92 -0.905 5.223 2.852 1.00 31.21 H new ATOM 0 HD1 TYR B 92 0.702 3.266 5.667 1.00 31.12 H new ATOM 0 HD2 TYR B 92 1.201 5.261 1.884 1.00 1.32 H new ATOM 0 HE1 TYR B 92 3.144 2.799 5.734 1.00 60.53 H new ATOM 0 HE2 TYR B 92 3.612 4.683 1.882 1.00 60.41 H new ATOM 0 HH TYR B 92 5.292 3.758 3.025 1.00 23.32 H new ATOM 1985 N ASN B 93 1.015 6.724 5.720 1.00 65.25 N ATOM 1986 CA ASN B 93 1.960 7.825 5.927 1.00 52.41 C ATOM 1987 C ASN B 93 3.232 7.598 5.125 1.00 23.22 C ATOM 1988 O ASN B 93 3.122 7.421 3.897 1.00 34.53 O ATOM 1989 CB ASN B 93 2.236 7.989 7.433 1.00 60.45 C ATOM 1990 CG ASN B 93 0.973 8.181 8.257 1.00 74.10 C ATOM 1991 OD1 ASN B 93 0.556 7.272 8.974 1.00 10.42 O ATOM 1992 ND2 ASN B 93 0.288 9.305 8.147 1.00 35.33 N ATOM 0 H ASN B 93 1.332 5.843 6.125 1.00 65.25 H new ATOM 0 HA ASN B 93 1.525 8.756 5.564 1.00 52.41 H new ATOM 0 HB2 ASN B 93 2.768 7.110 7.796 1.00 60.45 H new ATOM 0 HB3 ASN B 93 2.894 8.845 7.584 1.00 60.45 H new ATOM 0 HD21 ASN B 93 -0.588 9.420 8.657 1.00 35.33 H new ATOM 0 HD22 ASN B 93 0.635 10.058 7.552 1.00 35.33 H new