USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 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 72 ASN : amide:sc=-0.00762 X(o=-0.084,f=0) USER MOD Set 1.2: B 76 HIS : no HD1:sc= -0.0764 X(o=-0.084,f=0) USER MOD Set 2.1: B 74 CYS SG : rot -3:sc= 0.755 USER MOD Set 2.2: B 91 TYR OH : rot 10:sc= 1.07 USER MOD Set 3.1: B 53 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.2: B 56 THR OG1 : rot -102:sc= 1.13 USER MOD Set 4.1: A 412 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: B 59 THR OG1 : rot 17:sc= 0.786 USER MOD Single : A 407 MET CE :methyl 167:sc= -0.21 (180deg=-0.533) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.22) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.87 K(o=0.87,f=-1.6!) 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 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot -7:sc= 1.25 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.8) USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot -158:sc= 0.825 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 146:sc= 1.16 USER MOD Single : B 93 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.517 0.936 -5.188 1.00 24.22 N ATOM 392 CA LEU A 404 5.431 0.382 -4.389 1.00 12.43 C ATOM 393 C LEU A 404 5.910 -0.861 -3.629 1.00 53.01 C ATOM 394 O LEU A 404 5.418 -1.147 -2.541 1.00 41.11 O ATOM 395 CB LEU A 404 4.228 0.056 -5.284 1.00 13.32 C ATOM 396 CG LEU A 404 2.965 -0.282 -4.466 1.00 3.12 C ATOM 397 CD1 LEU A 404 2.390 0.955 -3.766 1.00 42.33 C ATOM 398 CD2 LEU A 404 1.908 -0.880 -5.393 1.00 13.40 C ATOM 0 HA LEU A 404 5.116 1.124 -3.655 1.00 12.43 H new ATOM 0 HB2 LEU A 404 4.021 0.906 -5.934 1.00 13.32 H new ATOM 0 HB3 LEU A 404 4.476 -0.786 -5.930 1.00 13.32 H new ATOM 0 HG LEU A 404 3.246 -1.000 -3.696 1.00 3.12 H new ATOM 0 HD11 LEU A 404 1.502 0.673 -3.201 1.00 42.33 H new ATOM 0 HD12 LEU A 404 3.136 1.368 -3.087 1.00 42.33 H new ATOM 0 HD13 LEU A 404 2.123 1.704 -4.512 1.00 42.33 H new ATOM 0 HD21 LEU A 404 1.014 -1.120 -4.818 1.00 13.40 H new ATOM 0 HD22 LEU A 404 1.657 -0.159 -6.171 1.00 13.40 H new ATOM 0 HD23 LEU A 404 2.299 -1.788 -5.852 1.00 13.40 H new ATOM 409 N ASP A 405 6.860 -1.610 -4.194 1.00 2.24 N ATOM 410 CA ASP A 405 7.396 -2.803 -3.550 1.00 22.24 C ATOM 411 C ASP A 405 8.204 -2.437 -2.296 1.00 54.55 C ATOM 412 O ASP A 405 8.153 -3.157 -1.297 1.00 33.42 O ATOM 413 CB ASP A 405 8.240 -3.615 -4.535 1.00 61.00 C ATOM 414 CG ASP A 405 8.745 -4.879 -3.848 1.00 64.44 C ATOM 415 OD1 ASP A 405 7.902 -5.740 -3.513 1.00 22.51 O ATOM 416 OD2 ASP A 405 9.966 -4.969 -3.592 1.00 44.30 O ATOM 0 H ASP A 405 7.274 -1.406 -5.104 1.00 2.24 H new ATOM 0 HA ASP A 405 6.558 -3.424 -3.233 1.00 22.24 H new ATOM 0 HB2 ASP A 405 7.646 -3.877 -5.411 1.00 61.00 H new ATOM 0 HB3 ASP A 405 9.082 -3.019 -4.888 1.00 61.00 H new ATOM 420 N ALA A 406 8.937 -1.320 -2.336 1.00 21.32 N ATOM 421 CA ALA A 406 9.750 -0.826 -1.226 1.00 24.33 C ATOM 422 C ALA A 406 8.881 -0.108 -0.192 1.00 4.41 C ATOM 423 O ALA A 406 9.106 -0.236 1.013 1.00 33.22 O ATOM 424 CB ALA A 406 10.813 0.129 -1.765 1.00 11.10 C ATOM 0 H ALA A 406 8.981 -0.722 -3.161 1.00 21.32 H new ATOM 0 HA ALA A 406 10.230 -1.674 -0.737 1.00 24.33 H new ATOM 0 HB1 ALA A 406 11.421 0.499 -0.940 1.00 11.10 H new ATOM 0 HB2 ALA A 406 11.449 -0.398 -2.476 1.00 11.10 H new ATOM 0 HB3 ALA A 406 10.329 0.968 -2.264 1.00 11.10 H new ATOM 430 N MET A 407 7.871 0.632 -0.655 1.00 32.40 N ATOM 431 CA MET A 407 6.936 1.373 0.185 1.00 41.32 C ATOM 432 C MET A 407 6.060 0.439 1.023 1.00 34.02 C ATOM 433 O MET A 407 5.341 0.918 1.903 1.00 11.34 O ATOM 434 CB MET A 407 6.033 2.260 -0.679 1.00 71.23 C ATOM 435 CG MET A 407 6.761 3.490 -1.227 1.00 60.44 C ATOM 436 SD MET A 407 5.674 4.642 -2.113 1.00 32.13 S ATOM 437 CE MET A 407 4.697 5.247 -0.709 1.00 74.43 C ATOM 0 H MET A 407 7.678 0.733 -1.652 1.00 32.40 H new ATOM 0 HA MET A 407 7.530 1.988 0.860 1.00 41.32 H new ATOM 0 HB2 MET A 407 5.643 1.673 -1.511 1.00 71.23 H new ATOM 0 HB3 MET A 407 5.176 2.584 -0.088 1.00 71.23 H new ATOM 0 HG2 MET A 407 7.239 4.017 -0.401 1.00 60.44 H new ATOM 0 HG3 MET A 407 7.555 3.163 -1.899 1.00 60.44 H new ATOM 0 HE1 MET A 407 4.132 6.129 -1.012 1.00 74.43 H new ATOM 0 HE2 MET A 407 4.007 4.468 -0.383 1.00 74.43 H new ATOM 0 HE3 MET A 407 5.364 5.508 0.113 1.00 74.43 H new ATOM 445 N PHE A 408 6.048 -0.862 0.730 1.00 1.21 N ATOM 446 CA PHE A 408 5.271 -1.854 1.456 1.00 63.10 C ATOM 447 C PHE A 408 6.163 -2.588 2.463 1.00 2.41 C ATOM 448 O PHE A 408 7.391 -2.611 2.309 1.00 3.41 O ATOM 449 CB PHE A 408 4.612 -2.829 0.467 1.00 35.45 C ATOM 450 CG PHE A 408 3.159 -2.498 0.188 1.00 52.10 C ATOM 451 CD1 PHE A 408 2.825 -1.299 -0.468 1.00 23.33 C ATOM 452 CD2 PHE A 408 2.132 -3.348 0.644 1.00 3.23 C ATOM 453 CE1 PHE A 408 1.480 -0.943 -0.653 1.00 35.03 C ATOM 454 CE2 PHE A 408 0.786 -2.991 0.454 1.00 52.41 C ATOM 455 CZ PHE A 408 0.459 -1.788 -0.195 1.00 52.14 C ATOM 0 H PHE A 408 6.592 -1.259 -0.036 1.00 1.21 H new ATOM 0 HA PHE A 408 4.478 -1.357 2.016 1.00 63.10 H new ATOM 0 HB2 PHE A 408 5.168 -2.818 -0.471 1.00 35.45 H new ATOM 0 HB3 PHE A 408 4.678 -3.842 0.865 1.00 35.45 H new ATOM 0 HD1 PHE A 408 3.608 -0.649 -0.831 1.00 23.33 H new ATOM 0 HD2 PHE A 408 2.379 -4.275 1.140 1.00 3.23 H new ATOM 0 HE1 PHE A 408 1.231 -0.017 -1.149 1.00 35.03 H new ATOM 0 HE2 PHE A 408 0.001 -3.643 0.808 1.00 52.41 H new ATOM 0 HZ PHE A 408 -0.576 -1.515 -0.341 1.00 52.14 H new ATOM 464 N PRO A 409 5.559 -3.175 3.509 1.00 63.43 N ATOM 465 CA PRO A 409 6.276 -3.915 4.525 1.00 55.34 C ATOM 466 C PRO A 409 6.378 -5.384 4.095 1.00 35.24 C ATOM 467 O PRO A 409 5.770 -5.824 3.110 1.00 40.31 O ATOM 468 CB PRO A 409 5.416 -3.736 5.777 1.00 64.21 C ATOM 469 CG PRO A 409 3.994 -3.775 5.221 1.00 62.20 C ATOM 470 CD PRO A 409 4.130 -3.211 3.805 1.00 24.30 C ATOM 0 HA PRO A 409 7.298 -3.576 4.694 1.00 55.34 H new ATOM 0 HB2 PRO A 409 5.588 -4.531 6.503 1.00 64.21 H new ATOM 0 HB3 PRO A 409 5.627 -2.793 6.281 1.00 64.21 H new ATOM 0 HG2 PRO A 409 3.599 -4.791 5.209 1.00 62.20 H new ATOM 0 HG3 PRO A 409 3.313 -3.175 5.825 1.00 62.20 H new ATOM 0 HD2 PRO A 409 3.600 -3.836 3.086 1.00 24.30 H new ATOM 0 HD3 PRO A 409 3.695 -2.213 3.741 1.00 24.30 H new ATOM 475 N GLU A 410 7.142 -6.166 4.847 1.00 13.24 N ATOM 476 CA GLU A 410 7.321 -7.579 4.569 1.00 40.04 C ATOM 477 C GLU A 410 6.061 -8.374 4.939 1.00 10.21 C ATOM 478 O GLU A 410 5.276 -7.928 5.781 1.00 25.23 O ATOM 479 CB GLU A 410 8.513 -8.115 5.372 1.00 35.51 C ATOM 480 CG GLU A 410 9.316 -9.026 4.454 1.00 5.12 C ATOM 481 CD GLU A 410 10.323 -9.851 5.234 1.00 24.13 C ATOM 482 OE1 GLU A 410 9.912 -10.921 5.742 1.00 54.24 O ATOM 483 OE2 GLU A 410 11.518 -9.471 5.284 1.00 54.14 O ATOM 0 H GLU A 410 7.653 -5.836 5.665 1.00 13.24 H new ATOM 0 HA GLU A 410 7.507 -7.698 3.502 1.00 40.04 H new ATOM 0 HB2 GLU A 410 9.132 -7.293 5.733 1.00 35.51 H new ATOM 0 HB3 GLU A 410 8.168 -8.663 6.249 1.00 35.51 H new ATOM 0 HG2 GLU A 410 8.640 -9.689 3.915 1.00 5.12 H new ATOM 0 HG3 GLU A 410 9.836 -8.426 3.707 1.00 5.12 H new ATOM 488 N GLY A 411 5.903 -9.572 4.370 1.00 2.34 N ATOM 489 CA GLY A 411 4.778 -10.453 4.648 1.00 75.22 C ATOM 490 C GLY A 411 3.513 -10.177 3.839 1.00 41.43 C ATOM 491 O GLY A 411 2.450 -10.633 4.261 1.00 32.22 O ATOM 0 H GLY A 411 6.564 -9.957 3.696 1.00 2.34 H new ATOM 0 HA2 GLY A 411 5.090 -11.481 4.463 1.00 75.22 H new ATOM 0 HA3 GLY A 411 4.534 -10.379 5.708 1.00 75.22 H new ATOM 495 N TYR A 412 3.590 -9.497 2.686 1.00 15.13 N ATOM 496 CA TYR A 412 2.433 -9.177 1.849 1.00 74.03 C ATOM 497 C TYR A 412 2.649 -9.675 0.416 1.00 2.41 C ATOM 498 O TYR A 412 3.747 -9.558 -0.137 1.00 31.21 O ATOM 499 CB TYR A 412 2.146 -7.663 1.891 1.00 11.13 C ATOM 500 CG TYR A 412 1.522 -7.201 3.197 1.00 73.23 C ATOM 501 CD1 TYR A 412 2.325 -7.005 4.333 1.00 1.34 C ATOM 502 CD2 TYR A 412 0.128 -7.030 3.299 1.00 12.31 C ATOM 503 CE1 TYR A 412 1.745 -6.702 5.577 1.00 51.21 C ATOM 504 CE2 TYR A 412 -0.465 -6.753 4.544 1.00 71.43 C ATOM 505 CZ TYR A 412 0.340 -6.607 5.695 1.00 21.15 C ATOM 506 OH TYR A 412 -0.261 -6.403 6.903 1.00 0.10 O ATOM 0 H TYR A 412 4.471 -9.151 2.307 1.00 15.13 H new ATOM 0 HA TYR A 412 1.557 -9.692 2.244 1.00 74.03 H new ATOM 0 HB2 TYR A 412 3.077 -7.120 1.730 1.00 11.13 H new ATOM 0 HB3 TYR A 412 1.480 -7.404 1.068 1.00 11.13 H new ATOM 0 HD1 TYR A 412 3.399 -7.088 4.250 1.00 1.34 H new ATOM 0 HD2 TYR A 412 -0.489 -7.112 2.417 1.00 12.31 H new ATOM 0 HE1 TYR A 412 2.372 -6.542 6.441 1.00 51.21 H new ATOM 0 HE2 TYR A 412 -1.538 -6.652 4.620 1.00 71.43 H new ATOM 0 HH TYR A 412 -1.233 -6.365 6.783 1.00 0.10 H new ATOM 515 N LYS A 413 1.596 -10.217 -0.205 1.00 32.14 N ATOM 516 CA LYS A 413 1.572 -10.770 -1.562 1.00 51.31 C ATOM 517 C LYS A 413 0.512 -10.034 -2.384 1.00 34.24 C ATOM 518 O LYS A 413 -0.471 -9.547 -1.828 1.00 3.10 O ATOM 519 CB LYS A 413 1.260 -12.281 -1.471 1.00 22.34 C ATOM 520 CG LYS A 413 1.823 -13.109 -2.640 1.00 62.22 C ATOM 521 CD LYS A 413 3.307 -13.427 -2.403 1.00 51.12 C ATOM 522 CE LYS A 413 3.964 -14.245 -3.517 1.00 62.24 C ATOM 523 NZ LYS A 413 4.131 -13.477 -4.764 1.00 23.40 N ATOM 0 H LYS A 413 0.687 -10.285 0.252 1.00 32.14 H new ATOM 0 HA LYS A 413 2.536 -10.639 -2.053 1.00 51.31 H new ATOM 0 HB2 LYS A 413 1.665 -12.669 -0.536 1.00 22.34 H new ATOM 0 HB3 LYS A 413 0.179 -12.416 -1.431 1.00 22.34 H new ATOM 0 HG2 LYS A 413 1.258 -14.035 -2.744 1.00 62.22 H new ATOM 0 HG3 LYS A 413 1.707 -12.558 -3.574 1.00 62.22 H new ATOM 0 HD2 LYS A 413 3.853 -12.491 -2.286 1.00 51.12 H new ATOM 0 HD3 LYS A 413 3.404 -13.971 -1.464 1.00 51.12 H new ATOM 0 HE2 LYS A 413 4.939 -14.596 -3.178 1.00 62.24 H new ATOM 0 HE3 LYS A 413 3.359 -15.129 -3.718 1.00 62.24 H new ATOM 0 HZ1 LYS A 413 4.580 -14.078 -5.484 1.00 23.40 H new ATOM 0 HZ2 LYS A 413 3.200 -13.164 -5.106 1.00 23.40 H new ATOM 0 HZ3 LYS A 413 4.731 -12.647 -4.583 1.00 23.40 H new ATOM 533 N VAL A 414 0.685 -9.933 -3.695 1.00 3.42 N ATOM 534 CA VAL A 414 -0.245 -9.255 -4.591 1.00 24.23 C ATOM 535 C VAL A 414 -1.497 -10.107 -4.813 1.00 14.43 C ATOM 536 O VAL A 414 -1.484 -11.343 -4.738 1.00 64.43 O ATOM 537 CB VAL A 414 0.487 -8.912 -5.915 1.00 12.43 C ATOM 538 CG1 VAL A 414 -0.418 -8.292 -6.991 1.00 2.41 C ATOM 539 CG2 VAL A 414 1.610 -7.892 -5.674 1.00 62.32 C ATOM 0 H VAL A 414 1.493 -10.328 -4.176 1.00 3.42 H new ATOM 0 HA VAL A 414 -0.585 -8.321 -4.143 1.00 24.23 H new ATOM 0 HB VAL A 414 0.861 -9.873 -6.267 1.00 12.43 H new ATOM 0 HG11 VAL A 414 0.170 -8.082 -7.884 1.00 2.41 H new ATOM 0 HG12 VAL A 414 -1.218 -8.989 -7.239 1.00 2.41 H new ATOM 0 HG13 VAL A 414 -0.849 -7.364 -6.614 1.00 2.41 H new ATOM 0 HG21 VAL A 414 2.107 -7.669 -6.618 1.00 62.32 H new ATOM 0 HG22 VAL A 414 1.187 -6.976 -5.261 1.00 62.32 H new ATOM 0 HG23 VAL A 414 2.333 -8.306 -4.972 1.00 62.32 H new ATOM 549 N LEU A 415 -2.605 -9.417 -5.078 1.00 52.11 N ATOM 550 CA LEU A 415 -3.916 -9.966 -5.375 1.00 74.11 C ATOM 551 C LEU A 415 -4.291 -9.293 -6.702 1.00 73.43 C ATOM 552 O LEU A 415 -4.819 -8.178 -6.680 1.00 4.50 O ATOM 553 CB LEU A 415 -4.909 -9.702 -4.231 1.00 23.41 C ATOM 554 CG LEU A 415 -6.347 -10.169 -4.544 1.00 51.21 C ATOM 555 CD1 LEU A 415 -6.412 -11.638 -4.967 1.00 63.22 C ATOM 556 CD2 LEU A 415 -7.224 -9.990 -3.300 1.00 53.43 C ATOM 0 H LEU A 415 -2.605 -8.397 -5.090 1.00 52.11 H new ATOM 0 HA LEU A 415 -3.930 -11.052 -5.467 1.00 74.11 H new ATOM 0 HB2 LEU A 415 -4.558 -10.209 -3.332 1.00 23.41 H new ATOM 0 HB3 LEU A 415 -4.922 -8.635 -4.011 1.00 23.41 H new ATOM 0 HG LEU A 415 -6.703 -9.560 -5.375 1.00 51.21 H new ATOM 0 HD11 LEU A 415 -7.447 -11.911 -5.174 1.00 63.22 H new ATOM 0 HD12 LEU A 415 -5.811 -11.785 -5.864 1.00 63.22 H new ATOM 0 HD13 LEU A 415 -6.025 -12.265 -4.164 1.00 63.22 H new ATOM 0 HD21 LEU A 415 -8.239 -10.319 -3.520 1.00 53.43 H new ATOM 0 HD22 LEU A 415 -6.819 -10.584 -2.481 1.00 53.43 H new ATOM 0 HD23 LEU A 415 -7.238 -8.939 -3.013 1.00 53.43 H new ATOM 567 N PRO A 416 -3.896 -9.874 -7.850 1.00 11.34 N ATOM 568 CA PRO A 416 -4.191 -9.321 -9.170 1.00 12.01 C ATOM 569 C PRO A 416 -5.705 -9.304 -9.441 1.00 24.33 C ATOM 570 O PRO A 416 -6.459 -9.926 -8.688 1.00 61.40 O ATOM 571 CB PRO A 416 -3.497 -10.248 -10.184 1.00 71.32 C ATOM 572 CG PRO A 416 -2.625 -11.188 -9.359 1.00 3.30 C ATOM 573 CD PRO A 416 -3.262 -11.174 -7.980 1.00 10.25 C ATOM 0 HA PRO A 416 -3.839 -8.292 -9.243 1.00 12.01 H new ATOM 0 HB2 PRO A 416 -4.229 -10.806 -10.768 1.00 71.32 H new ATOM 0 HB3 PRO A 416 -2.895 -9.675 -10.890 1.00 71.32 H new ATOM 0 HG2 PRO A 416 -2.612 -12.193 -9.781 1.00 3.30 H new ATOM 0 HG3 PRO A 416 -1.591 -10.844 -9.324 1.00 3.30 H new ATOM 0 HD2 PRO A 416 -3.992 -11.977 -7.878 1.00 10.25 H new ATOM 0 HD3 PRO A 416 -2.513 -11.323 -7.202 1.00 10.25 H new ATOM 578 N PRO A 417 -6.163 -8.624 -10.507 1.00 63.44 N ATOM 579 CA PRO A 417 -7.580 -8.599 -10.838 1.00 24.54 C ATOM 580 C PRO A 417 -8.007 -10.010 -11.283 1.00 32.24 C ATOM 581 O PRO A 417 -7.145 -10.818 -11.654 1.00 64.12 O ATOM 582 CB PRO A 417 -7.724 -7.582 -11.978 1.00 25.04 C ATOM 583 CG PRO A 417 -6.346 -7.583 -12.636 1.00 24.43 C ATOM 584 CD PRO A 417 -5.395 -7.846 -11.470 1.00 14.11 C ATOM 0 HA PRO A 417 -8.211 -8.316 -9.996 1.00 24.54 H new ATOM 0 HB2 PRO A 417 -8.504 -7.875 -12.681 1.00 25.04 H new ATOM 0 HB3 PRO A 417 -7.988 -6.593 -11.602 1.00 25.04 H new ATOM 0 HG2 PRO A 417 -6.267 -8.356 -13.401 1.00 24.43 H new ATOM 0 HG3 PRO A 417 -6.132 -6.631 -13.122 1.00 24.43 H new ATOM 0 HD2 PRO A 417 -4.512 -8.392 -11.800 1.00 14.11 H new ATOM 0 HD3 PRO A 417 -5.046 -6.912 -11.030 1.00 14.11 H new ATOM 589 N PRO A 418 -9.319 -10.308 -11.309 1.00 1.34 N ATOM 590 CA PRO A 418 -9.845 -11.606 -11.723 1.00 5.52 C ATOM 591 C PRO A 418 -9.260 -12.116 -13.046 1.00 44.21 C ATOM 592 O PRO A 418 -8.836 -11.346 -13.920 1.00 51.32 O ATOM 593 CB PRO A 418 -11.364 -11.437 -11.782 1.00 61.22 C ATOM 594 CG PRO A 418 -11.595 -10.389 -10.700 1.00 44.51 C ATOM 595 CD PRO A 418 -10.407 -9.445 -10.877 1.00 73.33 C ATOM 0 HA PRO A 418 -9.554 -12.377 -11.009 1.00 5.52 H new ATOM 0 HB2 PRO A 418 -11.701 -11.097 -12.761 1.00 61.22 H new ATOM 0 HB3 PRO A 418 -11.889 -12.368 -11.570 1.00 61.22 H new ATOM 0 HG2 PRO A 418 -12.545 -9.872 -10.835 1.00 44.51 H new ATOM 0 HG3 PRO A 418 -11.613 -10.833 -9.705 1.00 44.51 H new ATOM 0 HD2 PRO A 418 -10.620 -8.673 -11.617 1.00 73.33 H new ATOM 0 HD3 PRO A 418 -10.163 -8.935 -9.945 1.00 73.33 H new ATOM 826 N VAL B 17 -4.801 13.861 3.671 1.00 30.44 N ATOM 827 CA VAL B 17 -5.355 12.572 3.280 1.00 75.14 C ATOM 828 C VAL B 17 -4.442 11.987 2.198 1.00 15.54 C ATOM 829 O VAL B 17 -4.600 12.277 1.007 1.00 11.03 O ATOM 830 CB VAL B 17 -6.827 12.664 2.813 1.00 34.00 C ATOM 831 CG1 VAL B 17 -7.352 11.240 2.565 1.00 51.42 C ATOM 832 CG2 VAL B 17 -7.775 13.360 3.797 1.00 1.22 C ATOM 0 HA VAL B 17 -5.384 11.912 4.147 1.00 75.14 H new ATOM 0 HB VAL B 17 -6.818 13.277 1.911 1.00 34.00 H new ATOM 0 HG11 VAL B 17 -8.390 11.287 2.235 1.00 51.42 H new ATOM 0 HG12 VAL B 17 -6.748 10.758 1.796 1.00 51.42 H new ATOM 0 HG13 VAL B 17 -7.291 10.664 3.488 1.00 51.42 H new ATOM 0 HG21 VAL B 17 -8.783 13.376 3.382 1.00 1.22 H new ATOM 0 HG22 VAL B 17 -7.780 12.818 4.742 1.00 1.22 H new ATOM 0 HG23 VAL B 17 -7.437 14.382 3.967 1.00 1.22 H new ATOM 842 N ASN B 18 -3.461 11.194 2.620 1.00 63.02 N ATOM 843 CA ASN B 18 -2.495 10.533 1.751 1.00 15.03 C ATOM 844 C ASN B 18 -3.208 9.564 0.796 1.00 72.20 C ATOM 845 O ASN B 18 -4.276 9.045 1.127 1.00 42.04 O ATOM 846 CB ASN B 18 -1.477 9.794 2.625 1.00 0.24 C ATOM 847 CG ASN B 18 -0.530 8.997 1.757 1.00 50.43 C ATOM 848 OD1 ASN B 18 0.331 9.561 1.083 1.00 73.24 O ATOM 849 ND2 ASN B 18 -0.737 7.699 1.645 1.00 63.21 N ATOM 0 H ASN B 18 -3.313 10.988 3.608 1.00 63.02 H new ATOM 0 HA ASN B 18 -1.977 11.272 1.140 1.00 15.03 H new ATOM 0 HB2 ASN B 18 -0.916 10.509 3.228 1.00 0.24 H new ATOM 0 HB3 ASN B 18 -1.994 9.130 3.317 1.00 0.24 H new ATOM 0 HD21 ASN B 18 -0.179 7.148 0.992 1.00 63.21 H new ATOM 0 HD22 ASN B 18 -1.455 7.246 2.211 1.00 63.21 H new ATOM 855 N ARG B 19 -2.632 9.306 -0.387 1.00 30.31 N ATOM 856 CA ARG B 19 -3.221 8.406 -1.383 1.00 34.11 C ATOM 857 C ARG B 19 -3.427 6.986 -0.854 1.00 33.21 C ATOM 858 O ARG B 19 -4.560 6.507 -0.888 1.00 60.42 O ATOM 859 CB ARG B 19 -2.405 8.384 -2.688 1.00 53.34 C ATOM 860 CG ARG B 19 -2.503 9.692 -3.491 1.00 43.23 C ATOM 861 CD ARG B 19 -2.072 9.470 -4.953 1.00 72.13 C ATOM 862 NE ARG B 19 -2.052 10.713 -5.742 1.00 63.20 N ATOM 863 CZ ARG B 19 -1.127 11.677 -5.667 1.00 71.14 C ATOM 864 NH1 ARG B 19 -0.087 11.575 -4.842 1.00 32.24 N ATOM 865 NH2 ARG B 19 -1.286 12.758 -6.423 1.00 52.12 N ATOM 0 H ARG B 19 -1.745 9.716 -0.678 1.00 30.31 H new ATOM 0 HA ARG B 19 -4.208 8.813 -1.603 1.00 34.11 H new ATOM 0 HB2 ARG B 19 -1.359 8.189 -2.451 1.00 53.34 H new ATOM 0 HB3 ARG B 19 -2.750 7.558 -3.310 1.00 53.34 H new ATOM 0 HG2 ARG B 19 -3.526 10.066 -3.462 1.00 43.23 H new ATOM 0 HG3 ARG B 19 -1.872 10.453 -3.033 1.00 43.23 H new ATOM 0 HD2 ARG B 19 -1.079 9.020 -4.969 1.00 72.13 H new ATOM 0 HD3 ARG B 19 -2.752 8.759 -5.422 1.00 72.13 H new ATOM 0 HE ARG B 19 -2.813 10.852 -6.407 1.00 63.20 H new ATOM 0 HH11 ARG B 19 0.016 10.750 -4.251 1.00 32.24 H new ATOM 0 HH12 ARG B 19 0.606 12.322 -4.801 1.00 32.24 H new ATOM 0 HH21 ARG B 19 -2.096 12.836 -7.038 1.00 52.12 H new ATOM 0 HH22 ARG B 19 -0.598 13.510 -6.388 1.00 52.12 H new ATOM 876 N ILE B 20 -2.359 6.288 -0.463 1.00 54.12 N ATOM 877 CA ILE B 20 -2.435 4.917 0.045 1.00 23.42 C ATOM 878 C ILE B 20 -3.305 4.900 1.310 1.00 12.03 C ATOM 879 O ILE B 20 -3.139 5.758 2.190 1.00 51.43 O ATOM 880 CB ILE B 20 -1.012 4.338 0.264 1.00 11.01 C ATOM 881 CG1 ILE B 20 -0.228 4.318 -1.072 1.00 63.14 C ATOM 882 CG2 ILE B 20 -1.074 2.924 0.876 1.00 43.14 C ATOM 883 CD1 ILE B 20 1.226 3.849 -0.945 1.00 74.51 C ATOM 0 H ILE B 20 -1.410 6.661 -0.490 1.00 54.12 H new ATOM 0 HA ILE B 20 -2.911 4.264 -0.686 1.00 23.42 H new ATOM 0 HB ILE B 20 -0.488 4.984 0.968 1.00 11.01 H new ATOM 0 HG12 ILE B 20 -0.747 3.666 -1.774 1.00 63.14 H new ATOM 0 HG13 ILE B 20 -0.238 5.320 -1.500 1.00 63.14 H new ATOM 0 HG21 ILE B 20 -0.062 2.544 1.018 1.00 43.14 H new ATOM 0 HG22 ILE B 20 -1.584 2.966 1.838 1.00 43.14 H new ATOM 0 HG23 ILE B 20 -1.620 2.261 0.205 1.00 43.14 H new ATOM 0 HD11 ILE B 20 1.701 3.865 -1.926 1.00 74.51 H new ATOM 0 HD12 ILE B 20 1.765 4.514 -0.270 1.00 74.51 H new ATOM 0 HD13 ILE B 20 1.248 2.834 -0.549 1.00 74.51 H new ATOM 894 N LEU B 21 -4.215 3.918 1.372 1.00 63.25 N ATOM 895 CA LEU B 21 -5.168 3.671 2.451 1.00 50.41 C ATOM 896 C LEU B 21 -4.877 2.303 3.076 1.00 15.22 C ATOM 897 O LEU B 21 -4.359 1.405 2.405 1.00 33.24 O ATOM 898 CB LEU B 21 -6.613 3.665 1.916 1.00 55.35 C ATOM 899 CG LEU B 21 -7.046 4.868 1.057 1.00 45.04 C ATOM 900 CD1 LEU B 21 -8.469 4.620 0.546 1.00 50.25 C ATOM 901 CD2 LEU B 21 -6.995 6.191 1.826 1.00 25.11 C ATOM 0 H LEU B 21 -4.307 3.235 0.620 1.00 63.25 H new ATOM 0 HA LEU B 21 -5.064 4.465 3.191 1.00 50.41 H new ATOM 0 HB2 LEU B 21 -6.752 2.760 1.325 1.00 55.35 H new ATOM 0 HB3 LEU B 21 -7.289 3.596 2.768 1.00 55.35 H new ATOM 0 HG LEU B 21 -6.345 4.958 0.228 1.00 45.04 H new ATOM 0 HD11 LEU B 21 -8.789 5.465 -0.064 1.00 50.25 H new ATOM 0 HD12 LEU B 21 -8.486 3.711 -0.055 1.00 50.25 H new ATOM 0 HD13 LEU B 21 -9.145 4.508 1.393 1.00 50.25 H new ATOM 0 HD21 LEU B 21 -7.310 7.004 1.172 1.00 25.11 H new ATOM 0 HD22 LEU B 21 -7.662 6.138 2.686 1.00 25.11 H new ATOM 0 HD23 LEU B 21 -5.976 6.374 2.168 1.00 25.11 H new ATOM 912 N TYR B 22 -5.308 2.101 4.321 1.00 55.13 N ATOM 913 CA TYR B 22 -5.128 0.889 5.117 1.00 54.40 C ATOM 914 C TYR B 22 -6.497 0.413 5.584 1.00 11.41 C ATOM 915 O TYR B 22 -7.309 1.231 6.029 1.00 54.35 O ATOM 916 CB TYR B 22 -4.210 1.246 6.295 1.00 43.32 C ATOM 917 CG TYR B 22 -4.032 0.239 7.400 1.00 14.45 C ATOM 918 CD1 TYR B 22 -3.878 -1.123 7.111 1.00 15.30 C ATOM 919 CD2 TYR B 22 -3.897 0.690 8.725 1.00 72.32 C ATOM 920 CE1 TYR B 22 -3.630 -2.027 8.147 1.00 3.24 C ATOM 921 CE2 TYR B 22 -3.620 -0.208 9.763 1.00 32.03 C ATOM 922 CZ TYR B 22 -3.472 -1.579 9.474 1.00 63.11 C ATOM 923 OH TYR B 22 -3.104 -2.456 10.445 1.00 72.14 O ATOM 0 H TYR B 22 -5.822 2.821 4.829 1.00 55.13 H new ATOM 0 HA TYR B 22 -4.670 0.081 4.546 1.00 54.40 H new ATOM 0 HB2 TYR B 22 -3.223 1.471 5.890 1.00 43.32 H new ATOM 0 HB3 TYR B 22 -4.588 2.165 6.742 1.00 43.32 H new ATOM 0 HD1 TYR B 22 -3.951 -1.473 6.092 1.00 15.30 H new ATOM 0 HD2 TYR B 22 -4.008 1.742 8.945 1.00 72.32 H new ATOM 0 HE1 TYR B 22 -3.558 -3.082 7.928 1.00 3.24 H new ATOM 0 HE2 TYR B 22 -3.521 0.148 10.778 1.00 32.03 H new ATOM 0 HH TYR B 22 -3.038 -1.986 11.302 1.00 72.14 H new ATOM 932 N ILE B 23 -6.752 -0.893 5.486 1.00 12.43 N ATOM 933 CA ILE B 23 -7.994 -1.556 5.854 1.00 1.41 C ATOM 934 C ILE B 23 -7.705 -2.555 6.973 1.00 62.13 C ATOM 935 O ILE B 23 -6.662 -3.216 6.995 1.00 12.11 O ATOM 936 CB ILE B 23 -8.619 -2.274 4.631 1.00 74.12 C ATOM 937 CG1 ILE B 23 -8.550 -1.487 3.305 1.00 51.43 C ATOM 938 CG2 ILE B 23 -10.078 -2.662 4.927 1.00 54.44 C ATOM 939 CD1 ILE B 23 -9.317 -0.163 3.280 1.00 53.23 C ATOM 0 H ILE B 23 -6.057 -1.548 5.128 1.00 12.43 H new ATOM 0 HA ILE B 23 -8.712 -0.813 6.202 1.00 1.41 H new ATOM 0 HB ILE B 23 -8.003 -3.161 4.480 1.00 74.12 H new ATOM 0 HG12 ILE B 23 -7.503 -1.284 3.078 1.00 51.43 H new ATOM 0 HG13 ILE B 23 -8.932 -2.122 2.506 1.00 51.43 H new ATOM 0 HG21 ILE B 23 -10.504 -3.165 4.059 1.00 54.44 H new ATOM 0 HG22 ILE B 23 -10.109 -3.332 5.786 1.00 54.44 H new ATOM 0 HG23 ILE B 23 -10.656 -1.764 5.146 1.00 54.44 H new ATOM 0 HD11 ILE B 23 -9.201 0.306 2.303 1.00 53.23 H new ATOM 0 HD12 ILE B 23 -10.374 -0.351 3.469 1.00 53.23 H new ATOM 0 HD13 ILE B 23 -8.923 0.500 4.050 1.00 53.23 H new ATOM 950 N ARG B 24 -8.647 -2.672 7.906 1.00 23.33 N ATOM 951 CA ARG B 24 -8.578 -3.565 9.058 1.00 40.02 C ATOM 952 C ARG B 24 -9.919 -4.286 9.163 1.00 40.34 C ATOM 953 O ARG B 24 -10.916 -3.828 8.599 1.00 35.34 O ATOM 954 CB ARG B 24 -8.228 -2.770 10.331 1.00 1.32 C ATOM 955 CG ARG B 24 -6.854 -2.064 10.283 1.00 13.14 C ATOM 956 CD ARG B 24 -6.746 -0.942 11.323 1.00 52.24 C ATOM 957 NE ARG B 24 -6.534 -1.481 12.672 1.00 64.32 N ATOM 958 CZ ARG B 24 -6.714 -0.849 13.831 1.00 12.32 C ATOM 959 NH1 ARG B 24 -7.114 0.415 13.854 1.00 73.44 N ATOM 960 NH2 ARG B 24 -6.486 -1.492 14.972 1.00 34.32 N ATOM 0 H ARG B 24 -9.509 -2.128 7.879 1.00 23.33 H new ATOM 0 HA ARG B 24 -7.788 -4.306 8.939 1.00 40.02 H new ATOM 0 HB2 ARG B 24 -9.002 -2.022 10.502 1.00 1.32 H new ATOM 0 HB3 ARG B 24 -8.245 -3.448 11.185 1.00 1.32 H new ATOM 0 HG2 ARG B 24 -6.065 -2.796 10.456 1.00 13.14 H new ATOM 0 HG3 ARG B 24 -6.693 -1.651 9.287 1.00 13.14 H new ATOM 0 HD2 ARG B 24 -5.922 -0.279 11.061 1.00 52.24 H new ATOM 0 HD3 ARG B 24 -7.655 -0.341 11.308 1.00 52.24 H new ATOM 0 HE ARG B 24 -6.213 -2.448 12.728 1.00 64.32 H new ATOM 0 HH11 ARG B 24 -7.286 0.911 12.980 1.00 73.44 H new ATOM 0 HH12 ARG B 24 -7.249 0.891 14.746 1.00 73.44 H new ATOM 0 HH21 ARG B 24 -6.175 -2.463 14.957 1.00 34.32 H new ATOM 0 HH22 ARG B 24 -6.622 -1.014 15.863 1.00 34.32 H new ATOM 971 N ASN B 25 -9.939 -5.386 9.912 1.00 2.41 N ATOM 972 CA ASN B 25 -11.060 -6.288 10.172 1.00 55.14 C ATOM 973 C ASN B 25 -11.510 -7.015 8.897 1.00 61.51 C ATOM 974 O ASN B 25 -12.695 -7.304 8.716 1.00 72.33 O ATOM 975 CB ASN B 25 -12.217 -5.577 10.901 1.00 60.41 C ATOM 976 CG ASN B 25 -13.057 -6.548 11.734 1.00 13.43 C ATOM 977 OD1 ASN B 25 -12.708 -7.707 11.949 1.00 24.25 O ATOM 978 ND2 ASN B 25 -14.155 -6.073 12.294 1.00 1.31 N ATOM 0 H ASN B 25 -9.097 -5.697 10.396 1.00 2.41 H new ATOM 0 HA ASN B 25 -10.706 -7.060 10.855 1.00 55.14 H new ATOM 0 HB2 ASN B 25 -11.813 -4.800 11.550 1.00 60.41 H new ATOM 0 HB3 ASN B 25 -12.856 -5.082 10.170 1.00 60.41 H new ATOM 0 HD21 ASN B 25 -14.714 -6.668 12.905 1.00 1.31 H new ATOM 0 HD22 ASN B 25 -14.444 -5.111 12.115 1.00 1.31 H new ATOM 984 N LEU B 26 -10.576 -7.260 7.970 1.00 24.11 N ATOM 985 CA LEU B 26 -10.868 -7.938 6.709 1.00 61.11 C ATOM 986 C LEU B 26 -11.185 -9.419 6.937 1.00 72.14 C ATOM 987 O LEU B 26 -10.578 -10.040 7.816 1.00 64.14 O ATOM 988 CB LEU B 26 -9.680 -7.828 5.739 1.00 63.14 C ATOM 989 CG LEU B 26 -9.536 -6.440 5.094 1.00 62.42 C ATOM 990 CD1 LEU B 26 -8.279 -6.433 4.225 1.00 35.40 C ATOM 991 CD2 LEU B 26 -10.741 -6.079 4.217 1.00 71.43 C ATOM 0 H LEU B 26 -9.598 -6.992 8.077 1.00 24.11 H new ATOM 0 HA LEU B 26 -11.739 -7.447 6.275 1.00 61.11 H new ATOM 0 HB2 LEU B 26 -8.761 -8.067 6.275 1.00 63.14 H new ATOM 0 HB3 LEU B 26 -9.794 -8.574 4.953 1.00 63.14 H new ATOM 0 HG LEU B 26 -9.473 -5.704 5.895 1.00 62.42 H new ATOM 0 HD11 LEU B 26 -8.163 -5.454 3.760 1.00 35.40 H new ATOM 0 HD12 LEU B 26 -7.408 -6.646 4.844 1.00 35.40 H new ATOM 0 HD13 LEU B 26 -8.368 -7.194 3.450 1.00 35.40 H new ATOM 0 HD21 LEU B 26 -10.592 -5.090 3.784 1.00 71.43 H new ATOM 0 HD22 LEU B 26 -10.843 -6.814 3.418 1.00 71.43 H new ATOM 0 HD23 LEU B 26 -11.646 -6.077 4.825 1.00 71.43 H new ATOM 1002 N PRO B 27 -12.064 -10.017 6.115 1.00 74.04 N ATOM 1003 CA PRO B 27 -12.439 -11.416 6.245 1.00 55.13 C ATOM 1004 C PRO B 27 -11.277 -12.320 5.856 1.00 0.41 C ATOM 1005 O PRO B 27 -10.432 -11.965 5.028 1.00 41.10 O ATOM 1006 CB PRO B 27 -13.640 -11.605 5.320 1.00 62.41 C ATOM 1007 CG PRO B 27 -13.441 -10.538 4.250 1.00 24.52 C ATOM 1008 CD PRO B 27 -12.819 -9.392 5.040 1.00 53.24 C ATOM 0 HA PRO B 27 -12.693 -11.680 7.272 1.00 55.13 H new ATOM 0 HB2 PRO B 27 -13.660 -12.606 4.889 1.00 62.41 H new ATOM 0 HB3 PRO B 27 -14.581 -11.468 5.852 1.00 62.41 H new ATOM 0 HG2 PRO B 27 -12.786 -10.882 3.450 1.00 24.52 H new ATOM 0 HG3 PRO B 27 -14.384 -10.247 3.787 1.00 24.52 H new ATOM 0 HD2 PRO B 27 -12.170 -8.787 4.407 1.00 53.24 H new ATOM 0 HD3 PRO B 27 -13.587 -8.728 5.436 1.00 53.24 H new ATOM 1013 N TYR B 28 -11.247 -13.518 6.430 1.00 72.31 N ATOM 1014 CA TYR B 28 -10.197 -14.505 6.183 1.00 33.23 C ATOM 1015 C TYR B 28 -10.468 -15.333 4.918 1.00 33.21 C ATOM 1016 O TYR B 28 -9.593 -16.061 4.434 1.00 52.53 O ATOM 1017 CB TYR B 28 -9.987 -15.330 7.457 1.00 62.23 C ATOM 1018 CG TYR B 28 -9.703 -14.437 8.657 1.00 13.14 C ATOM 1019 CD1 TYR B 28 -8.459 -13.784 8.777 1.00 30.31 C ATOM 1020 CD2 TYR B 28 -10.727 -14.142 9.580 1.00 50.34 C ATOM 1021 CE1 TYR B 28 -8.242 -12.849 9.801 1.00 44.23 C ATOM 1022 CE2 TYR B 28 -10.527 -13.179 10.584 1.00 72.14 C ATOM 1023 CZ TYR B 28 -9.284 -12.517 10.686 1.00 20.55 C ATOM 1024 OH TYR B 28 -9.090 -11.534 11.603 1.00 63.10 O ATOM 0 H TYR B 28 -11.958 -13.837 7.088 1.00 72.31 H new ATOM 0 HA TYR B 28 -9.254 -14.004 5.963 1.00 33.23 H new ATOM 0 HB2 TYR B 28 -10.874 -15.933 7.652 1.00 62.23 H new ATOM 0 HB3 TYR B 28 -9.157 -16.022 7.312 1.00 62.23 H new ATOM 0 HD1 TYR B 28 -7.668 -14.005 8.076 1.00 30.31 H new ATOM 0 HD2 TYR B 28 -11.672 -14.660 9.515 1.00 50.34 H new ATOM 0 HE1 TYR B 28 -7.273 -12.384 9.910 1.00 44.23 H new ATOM 0 HE2 TYR B 28 -11.323 -12.946 11.276 1.00 72.14 H new ATOM 0 HH TYR B 28 -9.903 -11.422 12.139 1.00 63.10 H new ATOM 1033 N LYS B 29 -11.674 -15.226 4.356 1.00 30.00 N ATOM 1034 CA LYS B 29 -12.133 -15.899 3.148 1.00 24.53 C ATOM 1035 C LYS B 29 -12.663 -14.793 2.247 1.00 22.33 C ATOM 1036 O LYS B 29 -13.578 -14.069 2.646 1.00 22.21 O ATOM 1037 CB LYS B 29 -13.232 -16.929 3.469 1.00 13.24 C ATOM 1038 CG LYS B 29 -12.745 -18.187 4.211 1.00 75.54 C ATOM 1039 CD LYS B 29 -11.779 -19.078 3.412 1.00 61.45 C ATOM 1040 CE LYS B 29 -12.424 -19.652 2.142 1.00 24.31 C ATOM 1041 NZ LYS B 29 -11.454 -20.350 1.269 1.00 31.00 N ATOM 0 H LYS B 29 -12.397 -14.630 4.760 1.00 30.00 H new ATOM 0 HA LYS B 29 -11.330 -16.458 2.669 1.00 24.53 H new ATOM 0 HB2 LYS B 29 -13.999 -16.444 4.072 1.00 13.24 H new ATOM 0 HB3 LYS B 29 -13.706 -17.236 2.536 1.00 13.24 H new ATOM 0 HG2 LYS B 29 -12.253 -17.879 5.134 1.00 75.54 H new ATOM 0 HG3 LYS B 29 -13.613 -18.782 4.496 1.00 75.54 H new ATOM 0 HD2 LYS B 29 -10.897 -18.498 3.138 1.00 61.45 H new ATOM 0 HD3 LYS B 29 -11.438 -19.897 4.045 1.00 61.45 H new ATOM 0 HE2 LYS B 29 -13.216 -20.346 2.424 1.00 24.31 H new ATOM 0 HE3 LYS B 29 -12.893 -18.843 1.582 1.00 24.31 H new ATOM 0 HZ1 LYS B 29 -11.945 -20.716 0.428 1.00 31.00 H new ATOM 0 HZ2 LYS B 29 -10.711 -19.685 0.974 1.00 31.00 H new ATOM 0 HZ3 LYS B 29 -11.024 -21.140 1.790 1.00 31.00 H new ATOM 1051 N ILE B 30 -12.000 -14.565 1.119 1.00 4.33 N ATOM 1052 CA ILE B 30 -12.352 -13.564 0.119 1.00 5.25 C ATOM 1053 C ILE B 30 -11.598 -13.936 -1.165 1.00 3.33 C ATOM 1054 O ILE B 30 -10.653 -14.731 -1.103 1.00 11.14 O ATOM 1055 CB ILE B 30 -12.078 -12.137 0.653 1.00 24.42 C ATOM 1056 CG1 ILE B 30 -12.703 -11.083 -0.272 1.00 43.43 C ATOM 1057 CG2 ILE B 30 -10.591 -11.854 0.930 1.00 73.35 C ATOM 1058 CD1 ILE B 30 -12.964 -9.763 0.451 1.00 51.44 C ATOM 0 H ILE B 30 -11.167 -15.096 0.866 1.00 4.33 H new ATOM 0 HA ILE B 30 -13.418 -13.556 -0.109 1.00 5.25 H new ATOM 0 HB ILE B 30 -12.563 -12.072 1.627 1.00 24.42 H new ATOM 0 HG12 ILE B 30 -12.040 -10.906 -1.119 1.00 43.43 H new ATOM 0 HG13 ILE B 30 -13.640 -11.466 -0.675 1.00 43.43 H new ATOM 0 HG21 ILE B 30 -10.477 -10.835 1.301 1.00 73.35 H new ATOM 0 HG22 ILE B 30 -10.220 -12.556 1.677 1.00 73.35 H new ATOM 0 HG23 ILE B 30 -10.021 -11.970 0.008 1.00 73.35 H new ATOM 0 HD11 ILE B 30 -13.406 -9.049 -0.244 1.00 51.44 H new ATOM 0 HD12 ILE B 30 -13.649 -9.933 1.282 1.00 51.44 H new ATOM 0 HD13 ILE B 30 -12.024 -9.364 0.831 1.00 51.44 H new ATOM 1069 N THR B 31 -11.944 -13.324 -2.292 1.00 51.15 N ATOM 1070 CA THR B 31 -11.369 -13.560 -3.613 1.00 51.10 C ATOM 1071 C THR B 31 -11.048 -12.248 -4.330 1.00 5.35 C ATOM 1072 O THR B 31 -11.336 -11.160 -3.819 1.00 41.54 O ATOM 1073 CB THR B 31 -12.417 -14.350 -4.425 1.00 52.41 C ATOM 1074 OG1 THR B 31 -13.706 -13.793 -4.203 1.00 1.30 O ATOM 1075 CG2 THR B 31 -12.410 -15.822 -4.026 1.00 74.11 C ATOM 0 H THR B 31 -12.673 -12.611 -2.310 1.00 51.15 H new ATOM 0 HA THR B 31 -10.433 -14.110 -3.515 1.00 51.10 H new ATOM 0 HB THR B 31 -12.167 -14.281 -5.484 1.00 52.41 H new ATOM 0 HG1 THR B 31 -14.372 -14.293 -4.720 1.00 1.30 H new ATOM 0 HG21 THR B 31 -13.156 -16.361 -4.610 1.00 74.11 H new ATOM 0 HG22 THR B 31 -11.424 -16.246 -4.217 1.00 74.11 H new ATOM 0 HG23 THR B 31 -12.645 -15.913 -2.965 1.00 74.11 H new ATOM 1083 N ALA B 32 -10.433 -12.353 -5.516 1.00 50.23 N ATOM 1084 CA ALA B 32 -10.102 -11.188 -6.323 1.00 31.14 C ATOM 1085 C ALA B 32 -11.398 -10.539 -6.810 1.00 51.42 C ATOM 1086 O ALA B 32 -11.469 -9.316 -6.882 1.00 61.24 O ATOM 1087 CB ALA B 32 -9.239 -11.586 -7.522 1.00 22.52 C ATOM 0 H ALA B 32 -10.157 -13.242 -5.933 1.00 50.23 H new ATOM 0 HA ALA B 32 -9.535 -10.482 -5.716 1.00 31.14 H new ATOM 0 HB1 ALA B 32 -9.004 -10.700 -8.111 1.00 22.52 H new ATOM 0 HB2 ALA B 32 -8.315 -12.043 -7.169 1.00 22.52 H new ATOM 0 HB3 ALA B 32 -9.783 -12.299 -8.141 1.00 22.52 H new ATOM 1093 N GLU B 33 -12.426 -11.341 -7.121 1.00 32.13 N ATOM 1094 CA GLU B 33 -13.704 -10.822 -7.590 1.00 24.44 C ATOM 1095 C GLU B 33 -14.268 -9.833 -6.567 1.00 33.51 C ATOM 1096 O GLU B 33 -14.614 -8.714 -6.938 1.00 15.13 O ATOM 1097 CB GLU B 33 -14.713 -11.947 -7.861 1.00 70.35 C ATOM 1098 CG GLU B 33 -14.378 -12.847 -9.063 1.00 52.03 C ATOM 1099 CD GLU B 33 -13.766 -14.188 -8.651 1.00 34.42 C ATOM 1100 OE1 GLU B 33 -14.472 -15.016 -8.030 1.00 44.11 O ATOM 1101 OE2 GLU B 33 -12.573 -14.430 -8.952 1.00 74.23 O ATOM 0 H GLU B 33 -12.389 -12.358 -7.053 1.00 32.13 H new ATOM 0 HA GLU B 33 -13.532 -10.308 -8.535 1.00 24.44 H new ATOM 0 HB2 GLU B 33 -14.787 -12.570 -6.970 1.00 70.35 H new ATOM 0 HB3 GLU B 33 -15.695 -11.502 -8.022 1.00 70.35 H new ATOM 0 HG2 GLU B 33 -15.286 -13.029 -9.638 1.00 52.03 H new ATOM 0 HG3 GLU B 33 -13.684 -12.323 -9.720 1.00 52.03 H new ATOM 1106 N GLU B 34 -14.328 -10.232 -5.293 1.00 14.20 N ATOM 1107 CA GLU B 34 -14.838 -9.422 -4.197 1.00 40.11 C ATOM 1108 C GLU B 34 -13.980 -8.176 -3.979 1.00 2.13 C ATOM 1109 O GLU B 34 -14.503 -7.062 -4.006 1.00 10.14 O ATOM 1110 CB GLU B 34 -14.823 -10.264 -2.916 1.00 71.04 C ATOM 1111 CG GLU B 34 -15.877 -11.376 -2.860 1.00 43.10 C ATOM 1112 CD GLU B 34 -17.274 -10.913 -2.439 1.00 64.54 C ATOM 1113 OE1 GLU B 34 -17.410 -10.067 -1.531 1.00 22.30 O ATOM 1114 OE2 GLU B 34 -18.277 -11.499 -2.914 1.00 13.44 O ATOM 0 H GLU B 34 -14.013 -11.155 -4.994 1.00 14.20 H new ATOM 0 HA GLU B 34 -15.850 -9.103 -4.444 1.00 40.11 H new ATOM 0 HB2 GLU B 34 -13.836 -10.713 -2.806 1.00 71.04 H new ATOM 0 HB3 GLU B 34 -14.969 -9.602 -2.062 1.00 71.04 H new ATOM 0 HG2 GLU B 34 -15.945 -11.843 -3.842 1.00 43.10 H new ATOM 0 HG3 GLU B 34 -15.539 -12.144 -2.164 1.00 43.10 H new ATOM 1119 N MET B 35 -12.669 -8.350 -3.777 1.00 22.21 N ATOM 1120 CA MET B 35 -11.754 -7.239 -3.523 1.00 70.53 C ATOM 1121 C MET B 35 -11.753 -6.180 -4.622 1.00 30.43 C ATOM 1122 O MET B 35 -11.473 -5.022 -4.313 1.00 3.31 O ATOM 1123 CB MET B 35 -10.334 -7.754 -3.247 1.00 21.42 C ATOM 1124 CG MET B 35 -10.244 -8.419 -1.868 1.00 31.23 C ATOM 1125 SD MET B 35 -10.606 -7.329 -0.455 1.00 11.41 S ATOM 1126 CE MET B 35 -9.039 -6.443 -0.290 1.00 42.34 C ATOM 0 H MET B 35 -12.216 -9.264 -3.786 1.00 22.21 H new ATOM 0 HA MET B 35 -12.128 -6.737 -2.631 1.00 70.53 H new ATOM 0 HB2 MET B 35 -10.047 -8.469 -4.018 1.00 21.42 H new ATOM 0 HB3 MET B 35 -9.627 -6.926 -3.301 1.00 21.42 H new ATOM 0 HG2 MET B 35 -10.936 -9.261 -1.843 1.00 31.23 H new ATOM 0 HG3 MET B 35 -9.241 -8.827 -1.744 1.00 31.23 H new ATOM 0 HE1 MET B 35 -9.106 -5.736 0.537 1.00 42.34 H new ATOM 0 HE2 MET B 35 -8.237 -7.155 -0.095 1.00 42.34 H new ATOM 0 HE3 MET B 35 -8.828 -5.902 -1.213 1.00 42.34 H new ATOM 1134 N TYR B 36 -12.064 -6.543 -5.868 1.00 65.00 N ATOM 1135 CA TYR B 36 -12.097 -5.583 -6.961 1.00 52.32 C ATOM 1136 C TYR B 36 -13.511 -5.029 -7.170 1.00 21.03 C ATOM 1137 O TYR B 36 -13.652 -3.956 -7.751 1.00 53.11 O ATOM 1138 CB TYR B 36 -11.492 -6.185 -8.237 1.00 62.30 C ATOM 1139 CG TYR B 36 -9.969 -6.206 -8.247 1.00 15.14 C ATOM 1140 CD1 TYR B 36 -9.254 -7.044 -7.371 1.00 23.32 C ATOM 1141 CD2 TYR B 36 -9.259 -5.377 -9.135 1.00 3.23 C ATOM 1142 CE1 TYR B 36 -7.851 -7.064 -7.381 1.00 52.03 C ATOM 1143 CE2 TYR B 36 -7.853 -5.385 -9.151 1.00 23.42 C ATOM 1144 CZ TYR B 36 -7.142 -6.228 -8.267 1.00 2.14 C ATOM 1145 OH TYR B 36 -5.782 -6.230 -8.262 1.00 42.13 O ATOM 0 H TYR B 36 -12.296 -7.498 -6.140 1.00 65.00 H new ATOM 0 HA TYR B 36 -11.473 -4.730 -6.694 1.00 52.32 H new ATOM 0 HB2 TYR B 36 -11.861 -7.204 -8.356 1.00 62.30 H new ATOM 0 HB3 TYR B 36 -11.843 -5.616 -9.098 1.00 62.30 H new ATOM 0 HD1 TYR B 36 -9.792 -7.679 -6.683 1.00 23.32 H new ATOM 0 HD2 TYR B 36 -9.798 -4.729 -9.810 1.00 3.23 H new ATOM 0 HE1 TYR B 36 -7.315 -7.719 -6.710 1.00 52.03 H new ATOM 0 HE2 TYR B 36 -7.317 -4.747 -9.838 1.00 23.42 H new ATOM 0 HH TYR B 36 -5.458 -6.772 -7.512 1.00 42.13 H new ATOM 1154 N ASP B 37 -14.556 -5.716 -6.702 1.00 2.43 N ATOM 1155 CA ASP B 37 -15.941 -5.271 -6.844 1.00 11.13 C ATOM 1156 C ASP B 37 -16.292 -4.233 -5.783 1.00 14.10 C ATOM 1157 O ASP B 37 -16.770 -3.142 -6.110 1.00 45.43 O ATOM 1158 CB ASP B 37 -16.902 -6.459 -6.703 1.00 54.12 C ATOM 1159 CG ASP B 37 -18.356 -6.016 -6.865 1.00 44.23 C ATOM 1160 OD1 ASP B 37 -18.989 -5.477 -5.925 1.00 1.54 O ATOM 1161 OD2 ASP B 37 -18.910 -6.225 -7.966 1.00 12.31 O ATOM 0 H ASP B 37 -14.462 -6.604 -6.210 1.00 2.43 H new ATOM 0 HA ASP B 37 -16.043 -4.826 -7.834 1.00 11.13 H new ATOM 0 HB2 ASP B 37 -16.663 -7.214 -7.452 1.00 54.12 H new ATOM 0 HB3 ASP B 37 -16.768 -6.925 -5.727 1.00 54.12 H new ATOM 1165 N ILE B 38 -16.025 -4.580 -4.520 1.00 60.32 N ATOM 1166 CA ILE B 38 -16.299 -3.773 -3.339 1.00 44.23 C ATOM 1167 C ILE B 38 -15.657 -2.395 -3.462 1.00 55.51 C ATOM 1168 O ILE B 38 -16.332 -1.382 -3.265 1.00 52.10 O ATOM 1169 CB ILE B 38 -15.832 -4.516 -2.062 1.00 30.03 C ATOM 1170 CG1 ILE B 38 -16.573 -5.858 -1.860 1.00 2.32 C ATOM 1171 CG2 ILE B 38 -16.019 -3.645 -0.802 1.00 55.43 C ATOM 1172 CD1 ILE B 38 -15.809 -6.798 -0.918 1.00 61.22 C ATOM 0 H ILE B 38 -15.592 -5.474 -4.288 1.00 60.32 H new ATOM 0 HA ILE B 38 -17.375 -3.619 -3.259 1.00 44.23 H new ATOM 0 HB ILE B 38 -14.772 -4.723 -2.207 1.00 30.03 H new ATOM 0 HG12 ILE B 38 -17.566 -5.667 -1.454 1.00 2.32 H new ATOM 0 HG13 ILE B 38 -16.711 -6.345 -2.825 1.00 2.32 H new ATOM 0 HG21 ILE B 38 -15.681 -4.197 0.075 1.00 55.43 H new ATOM 0 HG22 ILE B 38 -15.435 -2.730 -0.902 1.00 55.43 H new ATOM 0 HG23 ILE B 38 -17.073 -3.392 -0.688 1.00 55.43 H new ATOM 0 HD11 ILE B 38 -16.364 -7.729 -0.804 1.00 61.22 H new ATOM 0 HD12 ILE B 38 -14.825 -7.011 -1.336 1.00 61.22 H new ATOM 0 HD13 ILE B 38 -15.694 -6.322 0.056 1.00 61.22 H new ATOM 1183 N PHE B 39 -14.356 -2.370 -3.749 1.00 53.43 N ATOM 1184 CA PHE B 39 -13.578 -1.148 -3.870 1.00 12.00 C ATOM 1185 C PHE B 39 -13.756 -0.455 -5.218 1.00 0.31 C ATOM 1186 O PHE B 39 -13.687 0.777 -5.253 1.00 1.12 O ATOM 1187 CB PHE B 39 -12.110 -1.483 -3.585 1.00 21.42 C ATOM 1188 CG PHE B 39 -11.868 -1.847 -2.131 1.00 53.00 C ATOM 1189 CD1 PHE B 39 -12.110 -3.154 -1.660 1.00 42.10 C ATOM 1190 CD2 PHE B 39 -11.441 -0.857 -1.230 1.00 55.14 C ATOM 1191 CE1 PHE B 39 -11.907 -3.469 -0.306 1.00 0.14 C ATOM 1192 CE2 PHE B 39 -11.234 -1.174 0.122 1.00 61.11 C ATOM 1193 CZ PHE B 39 -11.463 -2.481 0.587 1.00 3.31 C ATOM 0 H PHE B 39 -13.808 -3.216 -3.906 1.00 53.43 H new ATOM 0 HA PHE B 39 -13.943 -0.427 -3.138 1.00 12.00 H new ATOM 0 HB2 PHE B 39 -11.800 -2.313 -4.220 1.00 21.42 H new ATOM 0 HB3 PHE B 39 -11.488 -0.629 -3.851 1.00 21.42 H new ATOM 0 HD1 PHE B 39 -12.453 -3.917 -2.344 1.00 42.10 H new ATOM 0 HD2 PHE B 39 -11.271 0.151 -1.579 1.00 55.14 H new ATOM 0 HE1 PHE B 39 -12.093 -4.472 0.048 1.00 0.14 H new ATOM 0 HE2 PHE B 39 -10.897 -0.411 0.808 1.00 61.11 H new ATOM 0 HZ PHE B 39 -11.298 -2.724 1.626 1.00 3.31 H new ATOM 1202 N GLY B 40 -14.014 -1.214 -6.291 1.00 34.30 N ATOM 1203 CA GLY B 40 -14.213 -0.678 -7.634 1.00 1.11 C ATOM 1204 C GLY B 40 -15.422 0.249 -7.675 1.00 24.33 C ATOM 1205 O GLY B 40 -15.431 1.239 -8.399 1.00 64.20 O ATOM 0 H GLY B 40 -14.090 -2.230 -6.245 1.00 34.30 H new ATOM 0 HA2 GLY B 40 -13.322 -0.135 -7.949 1.00 1.11 H new ATOM 0 HA3 GLY B 40 -14.353 -1.497 -8.340 1.00 1.11 H new ATOM 1209 N LYS B 41 -16.427 -0.035 -6.839 1.00 41.13 N ATOM 1210 CA LYS B 41 -17.663 0.734 -6.716 1.00 62.32 C ATOM 1211 C LYS B 41 -17.425 2.187 -6.294 1.00 30.24 C ATOM 1212 O LYS B 41 -18.355 2.999 -6.351 1.00 21.43 O ATOM 1213 CB LYS B 41 -18.546 0.017 -5.682 1.00 11.44 C ATOM 1214 CG LYS B 41 -20.039 0.302 -5.863 1.00 52.13 C ATOM 1215 CD LYS B 41 -20.849 -0.692 -5.033 1.00 31.03 C ATOM 1216 CE LYS B 41 -22.304 -0.242 -4.891 1.00 23.32 C ATOM 1217 NZ LYS B 41 -23.003 -1.018 -3.845 1.00 71.45 N ATOM 0 H LYS B 41 -16.397 -0.836 -6.208 1.00 41.13 H new ATOM 0 HA LYS B 41 -18.145 0.784 -7.692 1.00 62.32 H new ATOM 0 HB2 LYS B 41 -18.377 -1.058 -5.752 1.00 11.44 H new ATOM 0 HB3 LYS B 41 -18.243 0.323 -4.681 1.00 11.44 H new ATOM 0 HG2 LYS B 41 -20.266 1.322 -5.553 1.00 52.13 H new ATOM 0 HG3 LYS B 41 -20.311 0.221 -6.915 1.00 52.13 H new ATOM 0 HD2 LYS B 41 -20.814 -1.675 -5.503 1.00 31.03 H new ATOM 0 HD3 LYS B 41 -20.400 -0.795 -4.045 1.00 31.03 H new ATOM 0 HE2 LYS B 41 -22.337 0.819 -4.644 1.00 23.32 H new ATOM 0 HE3 LYS B 41 -22.820 -0.363 -5.844 1.00 23.32 H new ATOM 0 HZ1 LYS B 41 -23.988 -0.692 -3.770 1.00 71.45 H new ATOM 0 HZ2 LYS B 41 -22.991 -2.027 -4.095 1.00 71.45 H new ATOM 0 HZ3 LYS B 41 -22.523 -0.882 -2.933 1.00 71.45 H new ATOM 1227 N TYR B 42 -16.228 2.501 -5.793 1.00 3.41 N ATOM 1228 CA TYR B 42 -15.851 3.830 -5.345 1.00 24.21 C ATOM 1229 C TYR B 42 -14.858 4.535 -6.279 1.00 14.24 C ATOM 1230 O TYR B 42 -14.689 5.753 -6.148 1.00 74.32 O ATOM 1231 CB TYR B 42 -15.289 3.715 -3.928 1.00 12.44 C ATOM 1232 CG TYR B 42 -16.123 2.926 -2.930 1.00 71.11 C ATOM 1233 CD1 TYR B 42 -17.527 3.038 -2.905 1.00 61.52 C ATOM 1234 CD2 TYR B 42 -15.481 2.070 -2.015 1.00 62.35 C ATOM 1235 CE1 TYR B 42 -18.280 2.299 -1.977 1.00 72.22 C ATOM 1236 CE2 TYR B 42 -16.229 1.331 -1.084 1.00 70.21 C ATOM 1237 CZ TYR B 42 -17.638 1.440 -1.062 1.00 31.34 C ATOM 1238 OH TYR B 42 -18.383 0.729 -0.172 1.00 71.11 O ATOM 0 H TYR B 42 -15.480 1.816 -5.688 1.00 3.41 H new ATOM 0 HA TYR B 42 -16.743 4.457 -5.357 1.00 24.21 H new ATOM 0 HB2 TYR B 42 -14.303 3.255 -3.988 1.00 12.44 H new ATOM 0 HB3 TYR B 42 -15.147 4.721 -3.534 1.00 12.44 H new ATOM 0 HD1 TYR B 42 -18.027 3.695 -3.602 1.00 61.52 H new ATOM 0 HD2 TYR B 42 -14.405 1.981 -2.029 1.00 62.35 H new ATOM 0 HE1 TYR B 42 -19.356 2.390 -1.965 1.00 72.22 H new ATOM 0 HE2 TYR B 42 -15.727 0.679 -0.384 1.00 70.21 H new ATOM 0 HH TYR B 42 -17.792 0.184 0.388 1.00 71.11 H new ATOM 1247 N GLY B 43 -14.182 3.809 -7.174 1.00 54.32 N ATOM 1248 CA GLY B 43 -13.208 4.340 -8.118 1.00 41.31 C ATOM 1249 C GLY B 43 -12.269 3.232 -8.618 1.00 22.21 C ATOM 1250 O GLY B 43 -12.340 2.108 -8.118 1.00 74.53 O ATOM 0 H GLY B 43 -14.306 2.800 -7.260 1.00 54.32 H new ATOM 0 HA2 GLY B 43 -13.725 4.793 -8.964 1.00 41.31 H new ATOM 0 HA3 GLY B 43 -12.625 5.128 -7.641 1.00 41.31 H new ATOM 1254 N PRO B 44 -11.379 3.533 -9.578 1.00 1.32 N ATOM 1255 CA PRO B 44 -10.438 2.579 -10.155 1.00 34.24 C ATOM 1256 C PRO B 44 -9.382 2.166 -9.131 1.00 34.32 C ATOM 1257 O PRO B 44 -8.910 2.974 -8.321 1.00 43.34 O ATOM 1258 CB PRO B 44 -9.832 3.276 -11.371 1.00 61.33 C ATOM 1259 CG PRO B 44 -9.927 4.752 -10.995 1.00 63.21 C ATOM 1260 CD PRO B 44 -11.227 4.828 -10.204 1.00 1.24 C ATOM 0 HA PRO B 44 -10.927 1.651 -10.452 1.00 34.24 H new ATOM 0 HB2 PRO B 44 -8.801 2.968 -11.542 1.00 61.33 H new ATOM 0 HB3 PRO B 44 -10.387 3.054 -12.283 1.00 61.33 H new ATOM 0 HG2 PRO B 44 -9.073 5.071 -10.397 1.00 63.21 H new ATOM 0 HG3 PRO B 44 -9.955 5.391 -11.877 1.00 63.21 H new ATOM 0 HD2 PRO B 44 -11.186 5.621 -9.458 1.00 1.24 H new ATOM 0 HD3 PRO B 44 -12.071 5.049 -10.858 1.00 1.24 H new ATOM 1265 N ILE B 45 -8.960 0.909 -9.212 1.00 44.32 N ATOM 1266 CA ILE B 45 -7.996 0.306 -8.313 1.00 44.42 C ATOM 1267 C ILE B 45 -6.605 0.272 -8.937 1.00 15.23 C ATOM 1268 O ILE B 45 -6.403 -0.238 -10.042 1.00 55.11 O ATOM 1269 CB ILE B 45 -8.511 -1.093 -7.911 1.00 43.02 C ATOM 1270 CG1 ILE B 45 -9.967 -1.022 -7.379 1.00 12.15 C ATOM 1271 CG2 ILE B 45 -7.583 -1.727 -6.864 1.00 3.02 C ATOM 1272 CD1 ILE B 45 -10.502 -2.355 -6.866 1.00 54.22 C ATOM 0 H ILE B 45 -9.293 0.265 -9.930 1.00 44.32 H new ATOM 0 HA ILE B 45 -7.895 0.908 -7.410 1.00 44.42 H new ATOM 0 HB ILE B 45 -8.510 -1.721 -8.802 1.00 43.02 H new ATOM 0 HG12 ILE B 45 -10.014 -0.289 -6.574 1.00 12.15 H new ATOM 0 HG13 ILE B 45 -10.618 -0.663 -8.176 1.00 12.15 H new ATOM 0 HG21 ILE B 45 -7.961 -2.713 -6.592 1.00 3.02 H new ATOM 0 HG22 ILE B 45 -6.580 -1.825 -7.279 1.00 3.02 H new ATOM 0 HG23 ILE B 45 -7.549 -1.094 -5.977 1.00 3.02 H new ATOM 0 HD11 ILE B 45 -11.524 -2.224 -6.511 1.00 54.22 H new ATOM 0 HD12 ILE B 45 -10.489 -3.087 -7.673 1.00 54.22 H new ATOM 0 HD13 ILE B 45 -9.876 -2.707 -6.046 1.00 54.22 H new ATOM 1283 N ARG B 46 -5.631 0.848 -8.226 1.00 51.55 N ATOM 1284 CA ARG B 46 -4.239 0.884 -8.648 1.00 31.24 C ATOM 1285 C ARG B 46 -3.600 -0.441 -8.241 1.00 1.21 C ATOM 1286 O ARG B 46 -3.027 -1.090 -9.111 1.00 51.55 O ATOM 1287 CB ARG B 46 -3.514 2.117 -8.082 1.00 2.33 C ATOM 1288 CG ARG B 46 -2.002 2.230 -8.353 1.00 21.45 C ATOM 1289 CD ARG B 46 -1.642 2.408 -9.831 1.00 35.41 C ATOM 1290 NE ARG B 46 -1.795 1.146 -10.562 1.00 60.22 N ATOM 1291 CZ ARG B 46 -2.449 0.964 -11.711 1.00 14.45 C ATOM 1292 NH1 ARG B 46 -2.693 1.974 -12.542 1.00 54.42 N ATOM 1293 NH2 ARG B 46 -2.881 -0.259 -11.975 1.00 74.02 N ATOM 0 H ARG B 46 -5.796 1.307 -7.330 1.00 51.55 H new ATOM 0 HA ARG B 46 -4.161 0.991 -9.730 1.00 31.24 H new ATOM 0 HB2 ARG B 46 -3.997 3.007 -8.485 1.00 2.33 H new ATOM 0 HB3 ARG B 46 -3.666 2.132 -7.003 1.00 2.33 H new ATOM 0 HG2 ARG B 46 -1.605 3.074 -7.789 1.00 21.45 H new ATOM 0 HG3 ARG B 46 -1.508 1.335 -7.975 1.00 21.45 H new ATOM 0 HD2 ARG B 46 -2.281 3.171 -10.276 1.00 35.41 H new ATOM 0 HD3 ARG B 46 -0.615 2.762 -9.919 1.00 35.41 H new ATOM 0 HE ARG B 46 -1.356 0.322 -10.150 1.00 60.22 H new ATOM 0 HH11 ARG B 46 -2.378 2.915 -12.307 1.00 54.42 H new ATOM 0 HH12 ARG B 46 -3.195 1.807 -13.414 1.00 54.42 H new ATOM 0 HH21 ARG B 46 -2.709 -1.015 -11.312 1.00 74.02 H new ATOM 0 HH22 ARG B 46 -3.386 -0.446 -12.841 1.00 74.02 H new ATOM 1304 N GLN B 47 -3.638 -0.824 -6.955 1.00 12.13 N ATOM 1305 CA GLN B 47 -3.064 -2.094 -6.510 1.00 22.22 C ATOM 1306 C GLN B 47 -3.667 -2.577 -5.191 1.00 62.33 C ATOM 1307 O GLN B 47 -4.092 -1.787 -4.338 1.00 41.21 O ATOM 1308 CB GLN B 47 -1.532 -2.021 -6.394 1.00 25.44 C ATOM 1309 CG GLN B 47 -0.952 -3.455 -6.334 1.00 25.14 C ATOM 1310 CD GLN B 47 0.493 -3.580 -6.779 1.00 64.30 C ATOM 1311 OE1 GLN B 47 1.328 -4.139 -6.073 1.00 11.54 O ATOM 1312 NE2 GLN B 47 0.811 -3.114 -7.973 1.00 32.14 N ATOM 0 H GLN B 47 -4.060 -0.270 -6.210 1.00 12.13 H new ATOM 0 HA GLN B 47 -3.318 -2.822 -7.280 1.00 22.22 H new ATOM 0 HB2 GLN B 47 -1.117 -1.484 -7.247 1.00 25.44 H new ATOM 0 HB3 GLN B 47 -1.250 -1.465 -5.500 1.00 25.44 H new ATOM 0 HG2 GLN B 47 -1.035 -3.822 -5.311 1.00 25.14 H new ATOM 0 HG3 GLN B 47 -1.566 -4.106 -6.957 1.00 25.14 H new ATOM 0 HE21 GLN B 47 0.104 -2.653 -8.545 1.00 32.14 H new ATOM 0 HE22 GLN B 47 1.764 -3.216 -8.323 1.00 32.14 H new ATOM 1319 N ILE B 48 -3.650 -3.901 -5.006 1.00 54.11 N ATOM 1320 CA ILE B 48 -4.149 -4.628 -3.852 1.00 62.53 C ATOM 1321 C ILE B 48 -3.087 -5.672 -3.464 1.00 15.12 C ATOM 1322 O ILE B 48 -2.727 -6.533 -4.272 1.00 51.42 O ATOM 1323 CB ILE B 48 -5.545 -5.212 -4.193 1.00 33.12 C ATOM 1324 CG1 ILE B 48 -6.541 -4.044 -4.395 1.00 4.42 C ATOM 1325 CG2 ILE B 48 -6.078 -6.099 -3.067 1.00 70.02 C ATOM 1326 CD1 ILE B 48 -8.009 -4.425 -4.601 1.00 12.34 C ATOM 0 H ILE B 48 -3.260 -4.528 -5.710 1.00 54.11 H new ATOM 0 HA ILE B 48 -4.302 -3.993 -2.979 1.00 62.53 H new ATOM 0 HB ILE B 48 -5.445 -5.814 -5.096 1.00 33.12 H new ATOM 0 HG12 ILE B 48 -6.478 -3.388 -3.527 1.00 4.42 H new ATOM 0 HG13 ILE B 48 -6.215 -3.463 -5.258 1.00 4.42 H new ATOM 0 HG21 ILE B 48 -7.058 -6.489 -3.344 1.00 70.02 H new ATOM 0 HG22 ILE B 48 -5.391 -6.929 -2.901 1.00 70.02 H new ATOM 0 HG23 ILE B 48 -6.166 -5.512 -2.153 1.00 70.02 H new ATOM 0 HD11 ILE B 48 -8.605 -3.521 -4.731 1.00 12.34 H new ATOM 0 HD12 ILE B 48 -8.101 -5.051 -5.489 1.00 12.34 H new ATOM 0 HD13 ILE B 48 -8.368 -4.974 -3.731 1.00 12.34 H new ATOM 1337 N ARG B 49 -2.538 -5.563 -2.248 1.00 14.43 N ATOM 1338 CA ARG B 49 -1.538 -6.468 -1.679 1.00 62.11 C ATOM 1339 C ARG B 49 -2.109 -6.895 -0.332 1.00 23.42 C ATOM 1340 O ARG B 49 -2.360 -6.052 0.534 1.00 60.30 O ATOM 1341 CB ARG B 49 -0.144 -5.823 -1.547 1.00 24.01 C ATOM 1342 CG ARG B 49 0.678 -5.899 -2.843 1.00 5.02 C ATOM 1343 CD ARG B 49 2.125 -5.394 -2.706 1.00 73.13 C ATOM 1344 NE ARG B 49 2.992 -6.336 -1.965 1.00 23.22 N ATOM 1345 CZ ARG B 49 4.275 -6.122 -1.630 1.00 62.13 C ATOM 1346 NH1 ARG B 49 4.901 -5.006 -1.977 1.00 73.23 N ATOM 1347 NH2 ARG B 49 4.944 -7.011 -0.912 1.00 61.32 N ATOM 0 H ARG B 49 -2.791 -4.809 -1.609 1.00 14.43 H new ATOM 0 HA ARG B 49 -1.365 -7.322 -2.334 1.00 62.11 H new ATOM 0 HB2 ARG B 49 -0.259 -4.779 -1.257 1.00 24.01 H new ATOM 0 HB3 ARG B 49 0.405 -6.318 -0.746 1.00 24.01 H new ATOM 0 HG2 ARG B 49 0.698 -6.933 -3.187 1.00 5.02 H new ATOM 0 HG3 ARG B 49 0.174 -5.316 -3.614 1.00 5.02 H new ATOM 0 HD2 ARG B 49 2.542 -5.227 -3.699 1.00 73.13 H new ATOM 0 HD3 ARG B 49 2.122 -4.431 -2.195 1.00 73.13 H new ATOM 0 HE ARG B 49 2.580 -7.226 -1.684 1.00 23.22 H new ATOM 0 HH11 ARG B 49 4.408 -4.289 -2.509 1.00 73.23 H new ATOM 0 HH12 ARG B 49 5.876 -4.864 -1.712 1.00 73.23 H new ATOM 0 HH21 ARG B 49 4.485 -7.870 -0.607 1.00 61.32 H new ATOM 0 HH22 ARG B 49 5.918 -6.837 -0.664 1.00 61.32 H new ATOM 1358 N VAL B 50 -2.303 -8.201 -0.179 1.00 53.23 N ATOM 1359 CA VAL B 50 -2.863 -8.877 0.979 1.00 44.41 C ATOM 1360 C VAL B 50 -1.763 -9.464 1.857 1.00 54.13 C ATOM 1361 O VAL B 50 -0.640 -9.672 1.400 1.00 73.22 O ATOM 1362 CB VAL B 50 -3.763 -10.034 0.477 1.00 42.21 C ATOM 1363 CG1 VAL B 50 -5.104 -9.540 -0.075 1.00 32.34 C ATOM 1364 CG2 VAL B 50 -3.107 -10.928 -0.591 1.00 65.44 C ATOM 0 H VAL B 50 -2.054 -8.860 -0.917 1.00 53.23 H new ATOM 0 HA VAL B 50 -3.431 -8.157 1.568 1.00 44.41 H new ATOM 0 HB VAL B 50 -3.925 -10.633 1.373 1.00 42.21 H new ATOM 0 HG11 VAL B 50 -5.694 -10.392 -0.413 1.00 32.34 H new ATOM 0 HG12 VAL B 50 -5.647 -9.010 0.708 1.00 32.34 H new ATOM 0 HG13 VAL B 50 -4.926 -8.867 -0.913 1.00 32.34 H new ATOM 0 HG21 VAL B 50 -3.804 -11.712 -0.887 1.00 65.44 H new ATOM 0 HG22 VAL B 50 -2.848 -10.325 -1.461 1.00 65.44 H new ATOM 0 HG23 VAL B 50 -2.204 -11.381 -0.182 1.00 65.44 H new ATOM 1374 N GLY B 51 -2.085 -9.719 3.124 1.00 40.24 N ATOM 1375 CA GLY B 51 -1.169 -10.303 4.090 1.00 22.14 C ATOM 1376 C GLY B 51 -0.974 -11.784 3.763 1.00 10.15 C ATOM 1377 O GLY B 51 -1.896 -12.435 3.269 1.00 31.43 O ATOM 0 H GLY B 51 -3.008 -9.520 3.511 1.00 40.24 H new ATOM 0 HA2 GLY B 51 -0.212 -9.783 4.063 1.00 22.14 H new ATOM 0 HA3 GLY B 51 -1.565 -10.190 5.099 1.00 22.14 H new ATOM 1381 N ASN B 52 0.219 -12.320 4.014 1.00 63.41 N ATOM 1382 CA ASN B 52 0.567 -13.720 3.766 1.00 23.13 C ATOM 1383 C ASN B 52 0.813 -14.479 5.071 1.00 1.14 C ATOM 1384 O ASN B 52 0.334 -15.603 5.233 1.00 1.23 O ATOM 1385 CB ASN B 52 1.812 -13.784 2.872 1.00 3.02 C ATOM 1386 CG ASN B 52 2.226 -15.222 2.584 1.00 73.02 C ATOM 1387 OD1 ASN B 52 3.190 -15.730 3.152 1.00 73.10 O ATOM 1388 ND2 ASN B 52 1.524 -15.901 1.694 1.00 40.02 N ATOM 0 H ASN B 52 0.991 -11.780 4.405 1.00 63.41 H new ATOM 0 HA ASN B 52 -0.273 -14.199 3.263 1.00 23.13 H new ATOM 0 HB2 ASN B 52 1.613 -13.268 1.933 1.00 3.02 H new ATOM 0 HB3 ASN B 52 2.635 -13.258 3.356 1.00 3.02 H new ATOM 0 HD21 ASN B 52 1.779 -16.863 1.469 1.00 40.02 H new ATOM 0 HD22 ASN B 52 0.727 -15.464 1.232 1.00 40.02 H new ATOM 1394 N THR B 53 1.571 -13.880 5.986 1.00 43.14 N ATOM 1395 CA THR B 53 1.934 -14.427 7.288 1.00 52.30 C ATOM 1396 C THR B 53 0.753 -14.386 8.277 1.00 63.33 C ATOM 1397 O THR B 53 -0.181 -13.596 8.106 1.00 13.35 O ATOM 1398 CB THR B 53 3.110 -13.579 7.818 1.00 13.41 C ATOM 1399 OG1 THR B 53 2.821 -12.201 7.642 1.00 31.31 O ATOM 1400 CG2 THR B 53 4.414 -13.890 7.076 1.00 31.41 C ATOM 0 H THR B 53 1.968 -12.953 5.830 1.00 43.14 H new ATOM 0 HA THR B 53 2.214 -15.476 7.186 1.00 52.30 H new ATOM 0 HB THR B 53 3.237 -13.822 8.873 1.00 13.41 H new ATOM 0 HG1 THR B 53 3.568 -11.664 7.980 1.00 31.31 H new ATOM 0 HG21 THR B 53 5.218 -13.273 7.478 1.00 31.41 H new ATOM 0 HG22 THR B 53 4.665 -14.943 7.207 1.00 31.41 H new ATOM 0 HG23 THR B 53 4.289 -13.676 6.015 1.00 31.41 H new ATOM 1408 N PRO B 54 0.791 -15.158 9.374 1.00 60.44 N ATOM 1409 CA PRO B 54 -0.263 -15.177 10.388 1.00 40.43 C ATOM 1410 C PRO B 54 -0.234 -13.926 11.285 1.00 33.34 C ATOM 1411 O PRO B 54 -0.951 -13.869 12.284 1.00 13.20 O ATOM 1412 CB PRO B 54 -0.010 -16.451 11.193 1.00 23.21 C ATOM 1413 CG PRO B 54 1.500 -16.620 11.104 1.00 11.10 C ATOM 1414 CD PRO B 54 1.818 -16.135 9.696 1.00 12.23 C ATOM 0 HA PRO B 54 -1.253 -15.168 9.933 1.00 40.43 H new ATOM 0 HB2 PRO B 54 -0.344 -16.349 12.225 1.00 23.21 H new ATOM 0 HB3 PRO B 54 -0.537 -17.306 10.771 1.00 23.21 H new ATOM 0 HG2 PRO B 54 2.017 -16.030 11.860 1.00 11.10 H new ATOM 0 HG3 PRO B 54 1.799 -17.658 11.250 1.00 11.10 H new ATOM 0 HD2 PRO B 54 2.811 -15.688 9.651 1.00 12.23 H new ATOM 0 HD3 PRO B 54 1.808 -16.962 8.986 1.00 12.23 H new ATOM 1419 N GLU B 55 0.570 -12.915 10.950 1.00 40.12 N ATOM 1420 CA GLU B 55 0.712 -11.675 11.707 1.00 52.14 C ATOM 1421 C GLU B 55 0.321 -10.455 10.866 1.00 42.40 C ATOM 1422 O GLU B 55 0.402 -9.326 11.352 1.00 60.53 O ATOM 1423 CB GLU B 55 2.117 -11.609 12.320 1.00 1.23 C ATOM 1424 CG GLU B 55 2.260 -12.737 13.358 1.00 35.22 C ATOM 1425 CD GLU B 55 3.608 -12.787 14.070 1.00 33.20 C ATOM 1426 OE1 GLU B 55 4.491 -11.944 13.812 1.00 71.13 O ATOM 1427 OE2 GLU B 55 3.765 -13.693 14.928 1.00 42.54 O ATOM 0 H GLU B 55 1.158 -12.940 10.117 1.00 40.12 H new ATOM 0 HA GLU B 55 0.009 -11.662 12.540 1.00 52.14 H new ATOM 0 HB2 GLU B 55 2.873 -11.714 11.542 1.00 1.23 H new ATOM 0 HB3 GLU B 55 2.278 -10.640 12.792 1.00 1.23 H new ATOM 0 HG2 GLU B 55 1.475 -12.625 14.105 1.00 35.22 H new ATOM 0 HG3 GLU B 55 2.093 -13.692 12.860 1.00 35.22 H new ATOM 1432 N THR B 56 -0.109 -10.679 9.620 1.00 53.34 N ATOM 1433 CA THR B 56 -0.577 -9.676 8.659 1.00 10.43 C ATOM 1434 C THR B 56 -2.060 -9.937 8.325 1.00 51.25 C ATOM 1435 O THR B 56 -2.674 -9.222 7.532 1.00 23.42 O ATOM 1436 CB THR B 56 0.313 -9.704 7.405 1.00 3.22 C ATOM 1437 OG1 THR B 56 0.410 -11.015 6.885 1.00 22.52 O ATOM 1438 CG2 THR B 56 1.721 -9.196 7.718 1.00 74.02 C ATOM 0 H THR B 56 -0.141 -11.622 9.233 1.00 53.34 H new ATOM 0 HA THR B 56 -0.504 -8.677 9.090 1.00 10.43 H new ATOM 0 HB THR B 56 -0.152 -9.051 6.667 1.00 3.22 H new ATOM 0 HG1 THR B 56 1.269 -11.408 7.147 1.00 22.52 H new ATOM 0 HG21 THR B 56 2.328 -9.227 6.813 1.00 74.02 H new ATOM 0 HG22 THR B 56 1.665 -8.170 8.083 1.00 74.02 H new ATOM 0 HG23 THR B 56 2.175 -9.828 8.481 1.00 74.02 H new ATOM 1446 N ARG B 57 -2.633 -10.992 8.915 1.00 71.13 N ATOM 1447 CA ARG B 57 -4.004 -11.450 8.742 1.00 5.53 C ATOM 1448 C ARG B 57 -5.016 -10.430 9.234 1.00 64.21 C ATOM 1449 O ARG B 57 -4.772 -9.744 10.228 1.00 53.14 O ATOM 1450 CB ARG B 57 -4.167 -12.823 9.420 1.00 23.42 C ATOM 1451 CG ARG B 57 -3.811 -12.832 10.921 1.00 13.12 C ATOM 1452 CD ARG B 57 -3.864 -14.243 11.515 1.00 31.43 C ATOM 1453 NE ARG B 57 -5.243 -14.674 11.732 1.00 63.42 N ATOM 1454 CZ ARG B 57 -5.958 -15.507 10.977 1.00 41.11 C ATOM 1455 NH1 ARG B 57 -5.399 -16.253 10.032 1.00 10.03 N ATOM 1456 NH2 ARG B 57 -7.257 -15.552 11.191 1.00 10.12 N ATOM 0 H ARG B 57 -2.114 -11.581 9.566 1.00 71.13 H new ATOM 0 HA ARG B 57 -4.208 -11.564 7.677 1.00 5.53 H new ATOM 0 HB2 ARG B 57 -5.198 -13.155 9.300 1.00 23.42 H new ATOM 0 HB3 ARG B 57 -3.537 -13.548 8.904 1.00 23.42 H new ATOM 0 HG2 ARG B 57 -2.812 -12.418 11.059 1.00 13.12 H new ATOM 0 HG3 ARG B 57 -4.502 -12.185 11.461 1.00 13.12 H new ATOM 0 HD2 ARG B 57 -3.363 -14.942 10.845 1.00 31.43 H new ATOM 0 HD3 ARG B 57 -3.321 -14.263 12.460 1.00 31.43 H new ATOM 0 HE ARG B 57 -5.711 -14.294 12.555 1.00 63.42 H new ATOM 0 HH11 ARG B 57 -4.394 -16.198 9.867 1.00 10.03 H new ATOM 0 HH12 ARG B 57 -5.975 -16.881 9.471 1.00 10.03 H new ATOM 0 HH21 ARG B 57 -7.676 -14.964 11.911 1.00 10.12 H new ATOM 0 HH22 ARG B 57 -7.844 -16.175 10.637 1.00 10.12 H new ATOM 1467 N GLY B 58 -6.169 -10.348 8.571 1.00 65.14 N ATOM 1468 CA GLY B 58 -7.228 -9.421 8.938 1.00 43.22 C ATOM 1469 C GLY B 58 -6.902 -7.973 8.575 1.00 74.15 C ATOM 1470 O GLY B 58 -7.684 -7.081 8.921 1.00 64.05 O ATOM 0 H GLY B 58 -6.391 -10.927 7.761 1.00 65.14 H new ATOM 0 HA2 GLY B 58 -8.151 -9.716 8.440 1.00 43.22 H new ATOM 0 HA3 GLY B 58 -7.409 -9.490 10.011 1.00 43.22 H new ATOM 1474 N THR B 59 -5.796 -7.714 7.875 1.00 11.51 N ATOM 1475 CA THR B 59 -5.367 -6.382 7.475 1.00 60.32 C ATOM 1476 C THR B 59 -4.778 -6.407 6.061 1.00 55.50 C ATOM 1477 O THR B 59 -4.304 -7.458 5.613 1.00 64.22 O ATOM 1478 CB THR B 59 -4.332 -5.872 8.496 1.00 30.13 C ATOM 1479 OG1 THR B 59 -3.318 -6.824 8.761 1.00 54.11 O ATOM 1480 CG2 THR B 59 -4.957 -5.538 9.850 1.00 53.12 C ATOM 0 H THR B 59 -5.160 -8.448 7.565 1.00 11.51 H new ATOM 0 HA THR B 59 -6.223 -5.707 7.459 1.00 60.32 H new ATOM 0 HB THR B 59 -3.917 -4.979 8.029 1.00 30.13 H new ATOM 0 HG1 THR B 59 -3.315 -7.504 8.055 1.00 54.11 H new ATOM 0 HG21 THR B 59 -4.183 -5.184 10.531 1.00 53.12 H new ATOM 0 HG22 THR B 59 -5.710 -4.761 9.721 1.00 53.12 H new ATOM 0 HG23 THR B 59 -5.424 -6.431 10.265 1.00 53.12 H new ATOM 1488 N ALA B 60 -4.903 -5.293 5.331 1.00 74.41 N ATOM 1489 CA ALA B 60 -4.375 -5.100 3.984 1.00 72.02 C ATOM 1490 C ALA B 60 -4.392 -3.605 3.648 1.00 1.55 C ATOM 1491 O ALA B 60 -5.002 -2.815 4.368 1.00 51.50 O ATOM 1492 CB ALA B 60 -5.169 -5.879 2.938 1.00 42.41 C ATOM 0 H ALA B 60 -5.395 -4.471 5.680 1.00 74.41 H new ATOM 0 HA ALA B 60 -3.354 -5.481 3.963 1.00 72.02 H new ATOM 0 HB1 ALA B 60 -4.740 -5.705 1.951 1.00 42.41 H new ATOM 0 HB2 ALA B 60 -5.128 -6.944 3.169 1.00 42.41 H new ATOM 0 HB3 ALA B 60 -6.207 -5.546 2.946 1.00 42.41 H new ATOM 1498 N TYR B 61 -3.784 -3.211 2.528 1.00 12.10 N ATOM 1499 CA TYR B 61 -3.725 -1.822 2.067 1.00 11.11 C ATOM 1500 C TYR B 61 -4.432 -1.704 0.713 1.00 41.33 C ATOM 1501 O TYR B 61 -4.577 -2.696 -0.012 1.00 12.02 O ATOM 1502 CB TYR B 61 -2.259 -1.385 1.967 1.00 52.12 C ATOM 1503 CG TYR B 61 -1.574 -1.039 3.278 1.00 64.24 C ATOM 1504 CD1 TYR B 61 -0.926 -2.024 4.051 1.00 22.52 C ATOM 1505 CD2 TYR B 61 -1.529 0.301 3.696 1.00 51.10 C ATOM 1506 CE1 TYR B 61 -0.260 -1.674 5.243 1.00 41.50 C ATOM 1507 CE2 TYR B 61 -0.877 0.656 4.887 1.00 71.13 C ATOM 1508 CZ TYR B 61 -0.257 -0.328 5.683 1.00 3.14 C ATOM 1509 OH TYR B 61 0.318 0.050 6.860 1.00 5.53 O ATOM 0 H TYR B 61 -3.309 -3.862 1.903 1.00 12.10 H new ATOM 0 HA TYR B 61 -4.233 -1.167 2.775 1.00 11.11 H new ATOM 0 HB2 TYR B 61 -1.695 -2.184 1.486 1.00 52.12 H new ATOM 0 HB3 TYR B 61 -2.204 -0.516 1.311 1.00 52.12 H new ATOM 0 HD1 TYR B 61 -0.940 -3.054 3.727 1.00 22.52 H new ATOM 0 HD2 TYR B 61 -2.000 1.065 3.096 1.00 51.10 H new ATOM 0 HE1 TYR B 61 0.248 -2.432 5.821 1.00 41.50 H new ATOM 0 HE2 TYR B 61 -0.850 1.691 5.196 1.00 71.13 H new ATOM 0 HH TYR B 61 0.214 1.017 6.979 1.00 5.53 H new ATOM 1518 N VAL B 62 -4.848 -0.502 0.309 1.00 65.12 N ATOM 1519 CA VAL B 62 -5.531 -0.250 -0.959 1.00 63.11 C ATOM 1520 C VAL B 62 -4.901 0.995 -1.573 1.00 51.51 C ATOM 1521 O VAL B 62 -4.581 1.951 -0.858 1.00 20.02 O ATOM 1522 CB VAL B 62 -7.038 -0.044 -0.699 1.00 32.04 C ATOM 1523 CG1 VAL B 62 -7.813 0.298 -1.979 1.00 60.20 C ATOM 1524 CG2 VAL B 62 -7.626 -1.335 -0.134 1.00 74.22 C ATOM 0 H VAL B 62 -4.716 0.341 0.868 1.00 65.12 H new ATOM 0 HA VAL B 62 -5.427 -1.092 -1.644 1.00 63.11 H new ATOM 0 HB VAL B 62 -7.133 0.789 -0.002 1.00 32.04 H new ATOM 0 HG11 VAL B 62 -8.868 0.433 -1.741 1.00 60.20 H new ATOM 0 HG12 VAL B 62 -7.418 1.218 -2.409 1.00 60.20 H new ATOM 0 HG13 VAL B 62 -7.704 -0.514 -2.698 1.00 60.20 H new ATOM 0 HG21 VAL B 62 -8.691 -1.198 0.053 1.00 74.22 H new ATOM 0 HG22 VAL B 62 -7.484 -2.144 -0.851 1.00 74.22 H new ATOM 0 HG23 VAL B 62 -7.123 -1.586 0.800 1.00 74.22 H new ATOM 1534 N VAL B 63 -4.690 0.968 -2.886 1.00 11.01 N ATOM 1535 CA VAL B 63 -4.126 2.073 -3.632 1.00 2.50 C ATOM 1536 C VAL B 63 -5.094 2.333 -4.783 1.00 72.51 C ATOM 1537 O VAL B 63 -5.440 1.390 -5.499 1.00 22.44 O ATOM 1538 CB VAL B 63 -2.694 1.749 -4.117 1.00 33.41 C ATOM 1539 CG1 VAL B 63 -1.999 3.021 -4.619 1.00 4.12 C ATOM 1540 CG2 VAL B 63 -1.820 1.114 -3.024 1.00 73.24 C ATOM 0 H VAL B 63 -4.913 0.159 -3.466 1.00 11.01 H new ATOM 0 HA VAL B 63 -4.017 2.966 -3.017 1.00 2.50 H new ATOM 0 HB VAL B 63 -2.805 1.025 -4.924 1.00 33.41 H new ATOM 0 HG11 VAL B 63 -0.992 2.776 -4.957 1.00 4.12 H new ATOM 0 HG12 VAL B 63 -2.567 3.443 -5.448 1.00 4.12 H new ATOM 0 HG13 VAL B 63 -1.943 3.749 -3.809 1.00 4.12 H new ATOM 0 HG21 VAL B 63 -0.827 0.910 -3.425 1.00 73.24 H new ATOM 0 HG22 VAL B 63 -1.737 1.800 -2.181 1.00 73.24 H new ATOM 0 HG23 VAL B 63 -2.275 0.182 -2.690 1.00 73.24 H new ATOM 1550 N TYR B 64 -5.597 3.558 -4.895 1.00 34.34 N ATOM 1551 CA TYR B 64 -6.494 4.039 -5.940 1.00 3.41 C ATOM 1552 C TYR B 64 -5.590 4.788 -6.931 1.00 21.44 C ATOM 1553 O TYR B 64 -4.429 5.102 -6.627 1.00 3.45 O ATOM 1554 CB TYR B 64 -7.582 4.973 -5.371 1.00 24.10 C ATOM 1555 CG TYR B 64 -8.788 4.269 -4.774 1.00 51.34 C ATOM 1556 CD1 TYR B 64 -8.777 3.811 -3.441 1.00 63.44 C ATOM 1557 CD2 TYR B 64 -9.924 4.043 -5.576 1.00 54.51 C ATOM 1558 CE1 TYR B 64 -9.881 3.096 -2.931 1.00 41.41 C ATOM 1559 CE2 TYR B 64 -11.016 3.311 -5.080 1.00 2.12 C ATOM 1560 CZ TYR B 64 -10.996 2.822 -3.759 1.00 54.02 C ATOM 1561 OH TYR B 64 -12.020 2.051 -3.303 1.00 3.31 O ATOM 0 H TYR B 64 -5.375 4.287 -4.216 1.00 34.34 H new ATOM 0 HA TYR B 64 -7.030 3.217 -6.414 1.00 3.41 H new ATOM 0 HB2 TYR B 64 -7.133 5.604 -4.604 1.00 24.10 H new ATOM 0 HB3 TYR B 64 -7.924 5.634 -6.167 1.00 24.10 H new ATOM 0 HD1 TYR B 64 -7.923 4.008 -2.810 1.00 63.44 H new ATOM 0 HD2 TYR B 64 -9.956 4.436 -6.581 1.00 54.51 H new ATOM 0 HE1 TYR B 64 -9.875 2.757 -1.906 1.00 41.41 H new ATOM 0 HE2 TYR B 64 -11.871 3.123 -5.712 1.00 2.12 H new ATOM 0 HH TYR B 64 -12.511 1.676 -4.064 1.00 3.31 H new ATOM 1570 N GLU B 65 -6.095 5.083 -8.125 1.00 34.24 N ATOM 1571 CA GLU B 65 -5.293 5.785 -9.123 1.00 74.24 C ATOM 1572 C GLU B 65 -5.107 7.265 -8.774 1.00 24.54 C ATOM 1573 O GLU B 65 -4.034 7.810 -9.033 1.00 63.24 O ATOM 1574 CB GLU B 65 -5.909 5.622 -10.518 1.00 24.43 C ATOM 1575 CG GLU B 65 -5.917 4.145 -10.941 1.00 60.33 C ATOM 1576 CD GLU B 65 -6.242 3.948 -12.424 1.00 0.03 C ATOM 1577 OE1 GLU B 65 -6.957 4.784 -13.014 1.00 72.33 O ATOM 1578 OE2 GLU B 65 -5.770 2.935 -12.986 1.00 72.43 O ATOM 0 H GLU B 65 -7.042 4.851 -8.423 1.00 34.24 H new ATOM 0 HA GLU B 65 -4.302 5.332 -9.125 1.00 74.24 H new ATOM 0 HB2 GLU B 65 -6.927 6.011 -10.519 1.00 24.43 H new ATOM 0 HB3 GLU B 65 -5.343 6.209 -11.241 1.00 24.43 H new ATOM 0 HG2 GLU B 65 -4.942 3.707 -10.727 1.00 60.33 H new ATOM 0 HG3 GLU B 65 -6.648 3.605 -10.340 1.00 60.33 H new ATOM 1583 N ASP B 66 -6.107 7.919 -8.173 1.00 45.24 N ATOM 1584 CA ASP B 66 -6.036 9.339 -7.816 1.00 62.30 C ATOM 1585 C ASP B 66 -6.275 9.580 -6.334 1.00 35.02 C ATOM 1586 O ASP B 66 -6.839 8.740 -5.628 1.00 44.42 O ATOM 1587 CB ASP B 66 -7.068 10.149 -8.609 1.00 12.34 C ATOM 1588 CG ASP B 66 -6.817 10.169 -10.111 1.00 42.22 C ATOM 1589 OD1 ASP B 66 -5.645 10.265 -10.538 1.00 75.55 O ATOM 1590 OD2 ASP B 66 -7.819 10.115 -10.859 1.00 61.55 O ATOM 0 H ASP B 66 -6.991 7.477 -7.920 1.00 45.24 H new ATOM 0 HA ASP B 66 -5.025 9.663 -8.062 1.00 62.30 H new ATOM 0 HB2 ASP B 66 -8.060 9.737 -8.422 1.00 12.34 H new ATOM 0 HB3 ASP B 66 -7.073 11.174 -8.238 1.00 12.34 H new ATOM 1594 N ILE B 67 -5.875 10.768 -5.873 1.00 11.51 N ATOM 1595 CA ILE B 67 -6.040 11.206 -4.490 1.00 65.21 C ATOM 1596 C ILE B 67 -7.532 11.407 -4.188 1.00 53.10 C ATOM 1597 O ILE B 67 -8.033 10.968 -3.160 1.00 62.20 O ATOM 1598 CB ILE B 67 -5.178 12.476 -4.266 1.00 1.13 C ATOM 1599 CG1 ILE B 67 -5.090 12.811 -2.768 1.00 15.04 C ATOM 1600 CG2 ILE B 67 -5.632 13.702 -5.084 1.00 34.03 C ATOM 1601 CD1 ILE B 67 -4.136 13.962 -2.441 1.00 5.21 C ATOM 0 H ILE B 67 -5.419 11.463 -6.464 1.00 11.51 H new ATOM 0 HA ILE B 67 -5.688 10.452 -3.786 1.00 65.21 H new ATOM 0 HB ILE B 67 -4.184 12.233 -4.641 1.00 1.13 H new ATOM 0 HG12 ILE B 67 -6.086 13.064 -2.404 1.00 15.04 H new ATOM 0 HG13 ILE B 67 -4.769 11.922 -2.226 1.00 15.04 H new ATOM 0 HG21 ILE B 67 -4.977 14.546 -4.869 1.00 34.03 H new ATOM 0 HG22 ILE B 67 -5.585 13.468 -6.147 1.00 34.03 H new ATOM 0 HG23 ILE B 67 -6.656 13.960 -4.815 1.00 34.03 H new ATOM 0 HD11 ILE B 67 -4.131 14.136 -1.365 1.00 5.21 H new ATOM 0 HD12 ILE B 67 -3.130 13.706 -2.772 1.00 5.21 H new ATOM 0 HD13 ILE B 67 -4.467 14.866 -2.953 1.00 5.21 H new ATOM 1612 N PHE B 68 -8.259 12.031 -5.114 1.00 60.01 N ATOM 1613 CA PHE B 68 -9.681 12.322 -4.996 1.00 1.33 C ATOM 1614 C PHE B 68 -10.507 11.043 -4.905 1.00 3.33 C ATOM 1615 O PHE B 68 -11.411 10.950 -4.080 1.00 61.53 O ATOM 1616 CB PHE B 68 -10.107 13.161 -6.205 1.00 74.44 C ATOM 1617 CG PHE B 68 -9.131 14.270 -6.544 1.00 65.32 C ATOM 1618 CD1 PHE B 68 -8.912 15.316 -5.634 1.00 32.35 C ATOM 1619 CD2 PHE B 68 -8.384 14.218 -7.736 1.00 62.55 C ATOM 1620 CE1 PHE B 68 -7.991 16.331 -5.932 1.00 22.51 C ATOM 1621 CE2 PHE B 68 -7.464 15.235 -8.036 1.00 11.05 C ATOM 1622 CZ PHE B 68 -7.276 16.303 -7.142 1.00 62.33 C ATOM 0 H PHE B 68 -7.859 12.357 -5.994 1.00 60.01 H new ATOM 0 HA PHE B 68 -9.859 12.879 -4.076 1.00 1.33 H new ATOM 0 HB2 PHE B 68 -10.217 12.507 -7.070 1.00 74.44 H new ATOM 0 HB3 PHE B 68 -11.086 13.597 -6.008 1.00 74.44 H new ATOM 0 HD1 PHE B 68 -9.455 15.339 -4.701 1.00 32.35 H new ATOM 0 HD2 PHE B 68 -8.519 13.394 -8.421 1.00 62.55 H new ATOM 0 HE1 PHE B 68 -7.831 17.136 -5.230 1.00 22.51 H new ATOM 0 HE2 PHE B 68 -6.899 15.197 -8.956 1.00 11.05 H new ATOM 0 HZ PHE B 68 -6.586 17.098 -7.383 1.00 62.33 H new ATOM 1631 N ASP B 69 -10.155 10.046 -5.718 1.00 54.20 N ATOM 1632 CA ASP B 69 -10.840 8.758 -5.772 1.00 54.22 C ATOM 1633 C ASP B 69 -10.659 8.055 -4.426 1.00 23.20 C ATOM 1634 O ASP B 69 -11.625 7.547 -3.860 1.00 15.14 O ATOM 1635 CB ASP B 69 -10.336 7.916 -6.959 1.00 42.14 C ATOM 1636 CG ASP B 69 -10.645 8.527 -8.335 1.00 14.33 C ATOM 1637 OD1 ASP B 69 -11.097 9.692 -8.420 1.00 43.30 O ATOM 1638 OD2 ASP B 69 -10.353 7.883 -9.367 1.00 1.23 O ATOM 0 H ASP B 69 -9.372 10.114 -6.368 1.00 54.20 H new ATOM 0 HA ASP B 69 -11.907 8.903 -5.943 1.00 54.22 H new ATOM 0 HB2 ASP B 69 -9.258 7.784 -6.865 1.00 42.14 H new ATOM 0 HB3 ASP B 69 -10.785 6.924 -6.904 1.00 42.14 H new ATOM 1642 N ALA B 70 -9.430 8.065 -3.887 1.00 23.44 N ATOM 1643 CA ALA B 70 -9.120 7.458 -2.596 1.00 4.04 C ATOM 1644 C ALA B 70 -9.933 8.149 -1.497 1.00 62.44 C ATOM 1645 O ALA B 70 -10.562 7.489 -0.669 1.00 1.30 O ATOM 1646 CB ALA B 70 -7.618 7.588 -2.302 1.00 14.05 C ATOM 0 H ALA B 70 -8.625 8.497 -4.341 1.00 23.44 H new ATOM 0 HA ALA B 70 -9.381 6.400 -2.623 1.00 4.04 H new ATOM 0 HB1 ALA B 70 -7.395 7.133 -1.337 1.00 14.05 H new ATOM 0 HB2 ALA B 70 -7.049 7.082 -3.082 1.00 14.05 H new ATOM 0 HB3 ALA B 70 -7.342 8.642 -2.278 1.00 14.05 H new ATOM 1652 N LYS B 71 -9.934 9.484 -1.504 1.00 20.42 N ATOM 1653 CA LYS B 71 -10.653 10.310 -0.546 1.00 14.11 C ATOM 1654 C LYS B 71 -12.140 10.020 -0.583 1.00 62.32 C ATOM 1655 O LYS B 71 -12.725 9.818 0.480 1.00 72.42 O ATOM 1656 CB LYS B 71 -10.378 11.794 -0.824 1.00 71.03 C ATOM 1657 CG LYS B 71 -9.016 12.168 -0.237 1.00 3.05 C ATOM 1658 CD LYS B 71 -8.531 13.554 -0.645 1.00 14.32 C ATOM 1659 CE LYS B 71 -9.288 14.627 0.140 1.00 34.12 C ATOM 1660 NZ LYS B 71 -9.114 15.966 -0.446 1.00 72.22 N ATOM 0 H LYS B 71 -9.420 10.029 -2.196 1.00 20.42 H new ATOM 0 HA LYS B 71 -10.296 10.069 0.455 1.00 14.11 H new ATOM 0 HB2 LYS B 71 -10.390 11.984 -1.897 1.00 71.03 H new ATOM 0 HB3 LYS B 71 -11.160 12.411 -0.382 1.00 71.03 H new ATOM 0 HG2 LYS B 71 -9.073 12.119 0.850 1.00 3.05 H new ATOM 0 HG3 LYS B 71 -8.280 11.428 -0.551 1.00 3.05 H new ATOM 0 HD2 LYS B 71 -7.461 13.643 -0.459 1.00 14.32 H new ATOM 0 HD3 LYS B 71 -8.682 13.700 -1.715 1.00 14.32 H new ATOM 0 HE2 LYS B 71 -10.349 14.377 0.165 1.00 34.12 H new ATOM 0 HE3 LYS B 71 -8.938 14.635 1.172 1.00 34.12 H new ATOM 0 HZ1 LYS B 71 -9.643 16.663 0.116 1.00 72.22 H new ATOM 0 HZ2 LYS B 71 -8.105 16.216 -0.446 1.00 72.22 H new ATOM 0 HZ3 LYS B 71 -9.471 15.967 -1.423 1.00 72.22 H new ATOM 1670 N ASN B 72 -12.771 9.991 -1.758 1.00 5.51 N ATOM 1671 CA ASN B 72 -14.202 9.727 -1.817 1.00 2.03 C ATOM 1672 C ASN B 72 -14.515 8.309 -1.328 1.00 52.32 C ATOM 1673 O ASN B 72 -15.468 8.113 -0.571 1.00 4.34 O ATOM 1674 CB ASN B 72 -14.782 10.040 -3.196 1.00 23.32 C ATOM 1675 CG ASN B 72 -16.244 10.407 -3.002 1.00 43.44 C ATOM 1676 OD1 ASN B 72 -16.564 11.521 -2.588 1.00 34.24 O ATOM 1677 ND2 ASN B 72 -17.162 9.508 -3.276 1.00 10.30 N ATOM 0 H ASN B 72 -12.322 10.144 -2.661 1.00 5.51 H new ATOM 0 HA ASN B 72 -14.706 10.408 -1.132 1.00 2.03 H new ATOM 0 HB2 ASN B 72 -14.239 10.861 -3.663 1.00 23.32 H new ATOM 0 HB3 ASN B 72 -14.687 9.178 -3.857 1.00 23.32 H new ATOM 0 HD21 ASN B 72 -18.149 9.731 -3.146 1.00 10.30 H new ATOM 0 HD22 ASN B 72 -16.888 8.587 -3.619 1.00 10.30 H new ATOM 1683 N ALA B 73 -13.684 7.323 -1.688 1.00 1.25 N ATOM 1684 CA ALA B 73 -13.878 5.945 -1.249 1.00 23.12 C ATOM 1685 C ALA B 73 -13.696 5.808 0.263 1.00 65.10 C ATOM 1686 O ALA B 73 -14.212 4.847 0.835 1.00 61.44 O ATOM 1687 CB ALA B 73 -12.867 5.016 -1.922 1.00 22.21 C ATOM 0 H ALA B 73 -12.869 7.460 -2.285 1.00 1.25 H new ATOM 0 HA ALA B 73 -14.896 5.669 -1.525 1.00 23.12 H new ATOM 0 HB1 ALA B 73 -13.029 3.994 -1.581 1.00 22.21 H new ATOM 0 HB2 ALA B 73 -12.994 5.062 -3.004 1.00 22.21 H new ATOM 0 HB3 ALA B 73 -11.856 5.329 -1.662 1.00 22.21 H new ATOM 1693 N CYS B 74 -12.941 6.707 0.904 1.00 32.11 N ATOM 1694 CA CYS B 74 -12.697 6.669 2.334 1.00 25.21 C ATOM 1695 C CYS B 74 -14.024 6.763 3.074 1.00 2.15 C ATOM 1696 O CYS B 74 -14.394 5.786 3.710 1.00 73.34 O ATOM 1697 CB CYS B 74 -11.680 7.741 2.759 1.00 34.11 C ATOM 1698 SG CYS B 74 -11.499 7.800 4.569 1.00 55.34 S ATOM 0 H CYS B 74 -12.482 7.486 0.432 1.00 32.11 H new ATOM 0 HA CYS B 74 -12.239 5.718 2.604 1.00 25.21 H new ATOM 0 HB2 CYS B 74 -10.713 7.530 2.301 1.00 34.11 H new ATOM 0 HB3 CYS B 74 -12.001 8.716 2.391 1.00 34.11 H new ATOM 0 HG CYS B 74 -12.328 6.961 5.116 1.00 55.34 H new ATOM 1703 N ASP B 75 -14.768 7.866 2.977 1.00 15.13 N ATOM 1704 CA ASP B 75 -16.042 8.012 3.696 1.00 24.51 C ATOM 1705 C ASP B 75 -17.075 6.971 3.291 1.00 70.33 C ATOM 1706 O ASP B 75 -17.859 6.539 4.143 1.00 12.42 O ATOM 1707 CB ASP B 75 -16.635 9.411 3.543 1.00 54.12 C ATOM 1708 CG ASP B 75 -15.820 10.421 4.332 1.00 22.01 C ATOM 1709 OD1 ASP B 75 -14.781 10.858 3.800 1.00 21.11 O ATOM 1710 OD2 ASP B 75 -16.211 10.766 5.474 1.00 41.11 O ATOM 0 H ASP B 75 -14.513 8.673 2.408 1.00 15.13 H new ATOM 0 HA ASP B 75 -15.796 7.849 4.745 1.00 24.51 H new ATOM 0 HB2 ASP B 75 -16.653 9.692 2.490 1.00 54.12 H new ATOM 0 HB3 ASP B 75 -17.668 9.415 3.892 1.00 54.12 H new ATOM 1714 N HIS B 76 -17.079 6.550 2.022 1.00 41.20 N ATOM 1715 CA HIS B 76 -18.015 5.536 1.556 1.00 54.30 C ATOM 1716 C HIS B 76 -17.746 4.202 2.260 1.00 5.45 C ATOM 1717 O HIS B 76 -18.688 3.449 2.511 1.00 43.20 O ATOM 1718 CB HIS B 76 -17.876 5.312 0.043 1.00 71.33 C ATOM 1719 CG HIS B 76 -18.660 6.223 -0.869 1.00 74.33 C ATOM 1720 ND1 HIS B 76 -18.302 6.545 -2.159 1.00 33.51 N ATOM 1721 CD2 HIS B 76 -19.933 6.693 -0.667 1.00 54.51 C ATOM 1722 CE1 HIS B 76 -19.332 7.188 -2.726 1.00 32.51 C ATOM 1723 NE2 HIS B 76 -20.352 7.299 -1.857 1.00 72.44 N ATOM 0 H HIS B 76 -16.443 6.898 1.304 1.00 41.20 H new ATOM 0 HA HIS B 76 -19.020 5.890 1.784 1.00 54.30 H new ATOM 0 HB2 HIS B 76 -16.821 5.403 -0.215 1.00 71.33 H new ATOM 0 HB3 HIS B 76 -18.169 4.285 -0.174 1.00 71.33 H new ATOM 0 HD2 HIS B 76 -20.507 6.610 0.244 1.00 54.51 H new ATOM 0 HE1 HIS B 76 -19.341 7.564 -3.738 1.00 32.51 H new ATOM 0 HE2 HIS B 76 -21.255 7.739 -2.031 1.00 72.44 H new ATOM 1730 N LEU B 77 -16.495 3.909 2.629 1.00 25.14 N ATOM 1731 CA LEU B 77 -16.132 2.656 3.279 1.00 3.21 C ATOM 1732 C LEU B 77 -15.911 2.755 4.792 1.00 43.24 C ATOM 1733 O LEU B 77 -16.068 1.753 5.487 1.00 24.04 O ATOM 1734 CB LEU B 77 -14.867 2.151 2.574 1.00 72.04 C ATOM 1735 CG LEU B 77 -14.428 0.730 2.954 1.00 73.23 C ATOM 1736 CD1 LEU B 77 -15.510 -0.325 2.708 1.00 73.21 C ATOM 1737 CD2 LEU B 77 -13.203 0.380 2.116 1.00 20.11 C ATOM 0 H LEU B 77 -15.707 4.539 2.483 1.00 25.14 H new ATOM 0 HA LEU B 77 -16.969 1.964 3.184 1.00 3.21 H new ATOM 0 HB2 LEU B 77 -15.032 2.187 1.497 1.00 72.04 H new ATOM 0 HB3 LEU B 77 -14.049 2.837 2.794 1.00 72.04 H new ATOM 0 HG LEU B 77 -14.217 0.722 4.023 1.00 73.23 H new ATOM 0 HD11 LEU B 77 -15.134 -1.306 2.998 1.00 73.21 H new ATOM 0 HD12 LEU B 77 -16.393 -0.085 3.300 1.00 73.21 H new ATOM 0 HD13 LEU B 77 -15.774 -0.335 1.651 1.00 73.21 H new ATOM 0 HD21 LEU B 77 -12.867 -0.627 2.365 1.00 20.11 H new ATOM 0 HD22 LEU B 77 -13.461 0.425 1.058 1.00 20.11 H new ATOM 0 HD23 LEU B 77 -12.404 1.091 2.325 1.00 20.11 H new ATOM 1748 N SER B 78 -15.537 3.920 5.316 1.00 75.52 N ATOM 1749 CA SER B 78 -15.261 4.186 6.721 1.00 71.01 C ATOM 1750 C SER B 78 -16.515 3.946 7.564 1.00 75.52 C ATOM 1751 O SER B 78 -17.434 4.762 7.550 1.00 55.44 O ATOM 1752 CB SER B 78 -14.678 5.598 6.870 1.00 70.45 C ATOM 1753 OG SER B 78 -14.096 5.792 8.146 1.00 13.20 O ATOM 0 H SER B 78 -15.412 4.750 4.736 1.00 75.52 H new ATOM 0 HA SER B 78 -14.510 3.493 7.099 1.00 71.01 H new ATOM 0 HB2 SER B 78 -13.927 5.765 6.098 1.00 70.45 H new ATOM 0 HB3 SER B 78 -15.465 6.335 6.713 1.00 70.45 H new ATOM 0 HG SER B 78 -13.733 6.701 8.205 1.00 13.20 H new ATOM 1758 N GLY B 79 -16.531 2.841 8.320 1.00 23.23 N ATOM 1759 CA GLY B 79 -17.650 2.461 9.177 1.00 43.22 C ATOM 1760 C GLY B 79 -18.673 1.576 8.472 1.00 21.41 C ATOM 1761 O GLY B 79 -19.746 1.357 9.032 1.00 51.44 O ATOM 0 H GLY B 79 -15.755 2.180 8.351 1.00 23.23 H new ATOM 0 HA2 GLY B 79 -17.267 1.936 10.052 1.00 43.22 H new ATOM 0 HA3 GLY B 79 -18.146 3.362 9.537 1.00 43.22 H new ATOM 1765 N PHE B 80 -18.369 1.063 7.275 1.00 14.22 N ATOM 1766 CA PHE B 80 -19.269 0.203 6.523 1.00 62.23 C ATOM 1767 C PHE B 80 -19.602 -1.049 7.344 1.00 0.33 C ATOM 1768 O PHE B 80 -18.707 -1.779 7.783 1.00 12.10 O ATOM 1769 CB PHE B 80 -18.631 -0.140 5.170 1.00 62.23 C ATOM 1770 CG PHE B 80 -19.471 -0.924 4.173 1.00 1.11 C ATOM 1771 CD1 PHE B 80 -20.873 -0.772 4.108 1.00 22.13 C ATOM 1772 CD2 PHE B 80 -18.824 -1.760 3.240 1.00 71.45 C ATOM 1773 CE1 PHE B 80 -21.608 -1.445 3.119 1.00 61.52 C ATOM 1774 CE2 PHE B 80 -19.559 -2.415 2.235 1.00 34.35 C ATOM 1775 CZ PHE B 80 -20.952 -2.253 2.175 1.00 41.31 C ATOM 0 H PHE B 80 -17.482 1.239 6.803 1.00 14.22 H new ATOM 0 HA PHE B 80 -20.209 0.719 6.327 1.00 62.23 H new ATOM 0 HB2 PHE B 80 -18.330 0.793 4.695 1.00 62.23 H new ATOM 0 HB3 PHE B 80 -17.721 -0.708 5.362 1.00 62.23 H new ATOM 0 HD1 PHE B 80 -21.381 -0.138 4.820 1.00 22.13 H new ATOM 0 HD2 PHE B 80 -17.754 -1.899 3.297 1.00 71.45 H new ATOM 0 HE1 PHE B 80 -22.682 -1.341 3.084 1.00 61.52 H new ATOM 0 HE2 PHE B 80 -19.054 -3.040 1.513 1.00 34.35 H new ATOM 0 HZ PHE B 80 -21.520 -2.750 1.403 1.00 41.31 H new ATOM 1784 N ASN B 81 -20.897 -1.239 7.598 1.00 21.12 N ATOM 1785 CA ASN B 81 -21.470 -2.349 8.344 1.00 3.15 C ATOM 1786 C ASN B 81 -21.524 -3.561 7.412 1.00 4.35 C ATOM 1787 O ASN B 81 -22.270 -3.522 6.427 1.00 64.31 O ATOM 1788 CB ASN B 81 -22.879 -1.945 8.805 1.00 42.43 C ATOM 1789 CG ASN B 81 -23.602 -3.135 9.403 1.00 1.24 C ATOM 1790 OD1 ASN B 81 -23.373 -3.490 10.554 1.00 13.01 O ATOM 1791 ND2 ASN B 81 -24.466 -3.786 8.658 1.00 51.34 N ATOM 0 H ASN B 81 -21.608 -0.586 7.270 1.00 21.12 H new ATOM 0 HA ASN B 81 -20.874 -2.598 9.222 1.00 3.15 H new ATOM 0 HB2 ASN B 81 -22.812 -1.145 9.542 1.00 42.43 H new ATOM 0 HB3 ASN B 81 -23.446 -1.554 7.961 1.00 42.43 H new ATOM 0 HD21 ASN B 81 -24.956 -4.597 9.036 1.00 51.34 H new ATOM 0 HD22 ASN B 81 -24.647 -3.480 7.702 1.00 51.34 H new ATOM 1797 N VAL B 82 -20.730 -4.605 7.674 1.00 3.15 N ATOM 1798 CA VAL B 82 -20.689 -5.811 6.848 1.00 43.23 C ATOM 1799 C VAL B 82 -20.455 -7.049 7.715 1.00 34.03 C ATOM 1800 O VAL B 82 -19.718 -6.970 8.697 1.00 52.12 O ATOM 1801 CB VAL B 82 -19.574 -5.686 5.782 1.00 74.23 C ATOM 1802 CG1 VAL B 82 -19.912 -4.647 4.710 1.00 42.23 C ATOM 1803 CG2 VAL B 82 -18.185 -5.336 6.350 1.00 52.01 C ATOM 0 H VAL B 82 -20.094 -4.634 8.471 1.00 3.15 H new ATOM 0 HA VAL B 82 -21.650 -5.920 6.345 1.00 43.23 H new ATOM 0 HB VAL B 82 -19.526 -6.685 5.350 1.00 74.23 H new ATOM 0 HG11 VAL B 82 -19.100 -4.595 3.985 1.00 42.23 H new ATOM 0 HG12 VAL B 82 -20.834 -4.934 4.203 1.00 42.23 H new ATOM 0 HG13 VAL B 82 -20.043 -3.671 5.178 1.00 42.23 H new ATOM 0 HG21 VAL B 82 -17.465 -5.268 5.535 1.00 52.01 H new ATOM 0 HG22 VAL B 82 -18.235 -4.379 6.870 1.00 52.01 H new ATOM 0 HG23 VAL B 82 -17.871 -6.112 7.048 1.00 52.01 H new ATOM 1813 N CYS B 83 -21.008 -8.194 7.303 1.00 23.43 N ATOM 1814 CA CYS B 83 -20.933 -9.517 7.931 1.00 40.51 C ATOM 1815 C CYS B 83 -20.885 -9.494 9.466 1.00 54.11 C ATOM 1816 O CYS B 83 -20.012 -10.110 10.086 1.00 65.25 O ATOM 1817 CB CYS B 83 -19.781 -10.315 7.306 1.00 11.43 C ATOM 1818 SG CYS B 83 -20.187 -10.678 5.573 1.00 64.04 S ATOM 0 H CYS B 83 -21.567 -8.221 6.450 1.00 23.43 H new ATOM 0 HA CYS B 83 -21.873 -10.028 7.720 1.00 40.51 H new ATOM 0 HB2 CYS B 83 -18.853 -9.746 7.364 1.00 11.43 H new ATOM 0 HB3 CYS B 83 -19.622 -11.242 7.858 1.00 11.43 H new ATOM 0 HG CYS B 83 -19.216 -11.352 5.032 1.00 64.04 H new ATOM 1823 N ASN B 84 -21.874 -8.839 10.079 1.00 3.43 N ATOM 1824 CA ASN B 84 -22.054 -8.670 11.526 1.00 43.42 C ATOM 1825 C ASN B 84 -20.802 -8.115 12.210 1.00 5.50 C ATOM 1826 O ASN B 84 -20.511 -8.433 13.365 1.00 22.42 O ATOM 1827 CB ASN B 84 -22.580 -9.957 12.172 1.00 43.30 C ATOM 1828 CG ASN B 84 -23.964 -10.290 11.651 1.00 11.52 C ATOM 1829 OD1 ASN B 84 -24.959 -9.783 12.158 1.00 15.13 O ATOM 1830 ND2 ASN B 84 -24.087 -11.171 10.678 1.00 1.24 N ATOM 0 H ASN B 84 -22.616 -8.384 9.547 1.00 3.43 H new ATOM 0 HA ASN B 84 -22.821 -7.910 11.677 1.00 43.42 H new ATOM 0 HB2 ASN B 84 -21.898 -10.781 11.961 1.00 43.30 H new ATOM 0 HB3 ASN B 84 -22.612 -9.840 13.255 1.00 43.30 H new ATOM 0 HD21 ASN B 84 -25.014 -11.435 10.343 1.00 1.24 H new ATOM 0 HD22 ASN B 84 -23.256 -11.589 10.260 1.00 1.24 H new ATOM 1836 N ARG B 85 -20.046 -7.299 11.480 1.00 14.14 N ATOM 1837 CA ARG B 85 -18.810 -6.630 11.849 1.00 41.52 C ATOM 1838 C ARG B 85 -18.848 -5.215 11.262 1.00 4.41 C ATOM 1839 O ARG B 85 -19.893 -4.730 10.807 1.00 22.11 O ATOM 1840 CB ARG B 85 -17.626 -7.450 11.297 1.00 20.42 C ATOM 1841 CG ARG B 85 -17.457 -8.793 12.022 1.00 15.21 C ATOM 1842 CD ARG B 85 -16.371 -9.644 11.367 1.00 43.44 C ATOM 1843 NE ARG B 85 -16.058 -10.814 12.201 1.00 35.52 N ATOM 1844 CZ ARG B 85 -14.850 -11.361 12.357 1.00 23.31 C ATOM 1845 NH1 ARG B 85 -13.866 -11.067 11.515 1.00 12.45 N ATOM 1846 NH2 ARG B 85 -14.636 -12.202 13.355 1.00 31.03 N ATOM 0 H ARG B 85 -20.313 -7.070 10.523 1.00 14.14 H new ATOM 0 HA ARG B 85 -18.693 -6.555 12.930 1.00 41.52 H new ATOM 0 HB2 ARG B 85 -17.777 -7.631 10.233 1.00 20.42 H new ATOM 0 HB3 ARG B 85 -16.709 -6.870 11.394 1.00 20.42 H new ATOM 0 HG2 ARG B 85 -17.202 -8.615 13.067 1.00 15.21 H new ATOM 0 HG3 ARG B 85 -18.402 -9.335 12.012 1.00 15.21 H new ATOM 0 HD2 ARG B 85 -16.703 -9.971 10.382 1.00 43.44 H new ATOM 0 HD3 ARG B 85 -15.472 -9.045 11.218 1.00 43.44 H new ATOM 0 HE ARG B 85 -16.832 -11.246 12.705 1.00 35.52 H new ATOM 0 HH11 ARG B 85 -14.031 -10.420 10.744 1.00 12.45 H new ATOM 0 HH12 ARG B 85 -12.945 -11.488 11.639 1.00 12.45 H new ATOM 0 HH21 ARG B 85 -15.392 -12.430 14.001 1.00 31.03 H new ATOM 0 HH22 ARG B 85 -13.715 -12.623 13.479 1.00 31.03 H new ATOM 1857 N TYR B 86 -17.722 -4.516 11.333 1.00 54.41 N ATOM 1858 CA TYR B 86 -17.495 -3.174 10.823 1.00 54.35 C ATOM 1859 C TYR B 86 -16.024 -3.127 10.422 1.00 12.42 C ATOM 1860 O TYR B 86 -15.211 -3.865 10.988 1.00 50.21 O ATOM 1861 CB TYR B 86 -17.797 -2.103 11.886 1.00 64.34 C ATOM 1862 CG TYR B 86 -16.781 -2.015 13.018 1.00 54.24 C ATOM 1863 CD1 TYR B 86 -16.742 -3.013 14.008 1.00 4.51 C ATOM 1864 CD2 TYR B 86 -15.837 -0.970 13.053 1.00 24.22 C ATOM 1865 CE1 TYR B 86 -15.745 -2.994 14.999 1.00 55.32 C ATOM 1866 CE2 TYR B 86 -14.843 -0.936 14.050 1.00 14.13 C ATOM 1867 CZ TYR B 86 -14.784 -1.961 15.020 1.00 45.01 C ATOM 1868 OH TYR B 86 -13.807 -1.976 15.966 1.00 4.33 O ATOM 0 H TYR B 86 -16.889 -4.900 11.779 1.00 54.41 H new ATOM 0 HA TYR B 86 -18.156 -2.962 9.982 1.00 54.35 H new ATOM 0 HB2 TYR B 86 -17.856 -1.132 11.395 1.00 64.34 H new ATOM 0 HB3 TYR B 86 -18.779 -2.304 12.314 1.00 64.34 H new ATOM 0 HD1 TYR B 86 -17.483 -3.799 14.007 1.00 4.51 H new ATOM 0 HD2 TYR B 86 -15.876 -0.188 12.309 1.00 24.22 H new ATOM 0 HE1 TYR B 86 -15.715 -3.773 15.747 1.00 55.32 H new ATOM 0 HE2 TYR B 86 -14.127 -0.128 14.073 1.00 14.13 H new ATOM 0 HH TYR B 86 -13.223 -1.198 15.846 1.00 4.33 H new ATOM 1877 N LEU B 87 -15.662 -2.279 9.464 1.00 73.44 N ATOM 1878 CA LEU B 87 -14.278 -2.137 9.015 1.00 14.00 C ATOM 1879 C LEU B 87 -13.734 -0.805 9.538 1.00 33.23 C ATOM 1880 O LEU B 87 -14.471 -0.004 10.123 1.00 61.33 O ATOM 1881 CB LEU B 87 -14.186 -2.205 7.479 1.00 71.13 C ATOM 1882 CG LEU B 87 -14.783 -3.461 6.818 1.00 23.40 C ATOM 1883 CD1 LEU B 87 -14.688 -3.325 5.296 1.00 72.30 C ATOM 1884 CD2 LEU B 87 -14.081 -4.750 7.259 1.00 15.32 C ATOM 0 H LEU B 87 -16.319 -1.670 8.976 1.00 73.44 H new ATOM 0 HA LEU B 87 -13.679 -2.958 9.408 1.00 14.00 H new ATOM 0 HB2 LEU B 87 -14.687 -1.329 7.067 1.00 71.13 H new ATOM 0 HB3 LEU B 87 -13.136 -2.134 7.195 1.00 71.13 H new ATOM 0 HG LEU B 87 -15.823 -3.534 7.135 1.00 23.40 H new ATOM 0 HD11 LEU B 87 -15.110 -4.213 4.824 1.00 72.30 H new ATOM 0 HD12 LEU B 87 -15.244 -2.444 4.974 1.00 72.30 H new ATOM 0 HD13 LEU B 87 -13.643 -3.221 5.005 1.00 72.30 H new ATOM 0 HD21 LEU B 87 -14.542 -5.604 6.762 1.00 15.32 H new ATOM 0 HD22 LEU B 87 -13.026 -4.700 6.990 1.00 15.32 H new ATOM 0 HD23 LEU B 87 -14.175 -4.864 8.339 1.00 15.32 H new ATOM 1895 N VAL B 88 -12.435 -0.565 9.353 1.00 73.33 N ATOM 1896 CA VAL B 88 -11.764 0.673 9.758 1.00 63.24 C ATOM 1897 C VAL B 88 -10.903 1.128 8.571 1.00 13.25 C ATOM 1898 O VAL B 88 -10.432 0.292 7.786 1.00 12.44 O ATOM 1899 CB VAL B 88 -10.965 0.467 11.068 1.00 32.22 C ATOM 1900 CG1 VAL B 88 -10.311 1.763 11.573 1.00 75.12 C ATOM 1901 CG2 VAL B 88 -11.844 -0.082 12.205 1.00 65.23 C ATOM 0 H VAL B 88 -11.808 -1.237 8.910 1.00 73.33 H new ATOM 0 HA VAL B 88 -12.479 1.461 9.993 1.00 63.24 H new ATOM 0 HB VAL B 88 -10.192 -0.256 10.809 1.00 32.22 H new ATOM 0 HG11 VAL B 88 -9.764 1.560 12.494 1.00 75.12 H new ATOM 0 HG12 VAL B 88 -9.622 2.141 10.818 1.00 75.12 H new ATOM 0 HG13 VAL B 88 -11.082 2.508 11.766 1.00 75.12 H new ATOM 0 HG21 VAL B 88 -11.239 -0.210 13.103 1.00 65.23 H new ATOM 0 HG22 VAL B 88 -12.654 0.618 12.409 1.00 65.23 H new ATOM 0 HG23 VAL B 88 -12.262 -1.044 11.909 1.00 65.23 H new ATOM 1911 N VAL B 89 -10.685 2.436 8.430 1.00 14.42 N ATOM 1912 CA VAL B 89 -9.892 3.078 7.380 1.00 20.32 C ATOM 1913 C VAL B 89 -8.913 4.041 8.061 1.00 4.33 C ATOM 1914 O VAL B 89 -9.322 4.758 8.979 1.00 12.20 O ATOM 1915 CB VAL B 89 -10.815 3.820 6.382 1.00 54.41 C ATOM 1916 CG1 VAL B 89 -10.003 4.547 5.297 1.00 15.40 C ATOM 1917 CG2 VAL B 89 -11.792 2.862 5.689 1.00 34.44 C ATOM 0 H VAL B 89 -11.079 3.114 9.082 1.00 14.42 H new ATOM 0 HA VAL B 89 -9.338 2.335 6.806 1.00 20.32 H new ATOM 0 HB VAL B 89 -11.375 4.546 6.972 1.00 54.41 H new ATOM 0 HG11 VAL B 89 -10.683 5.057 4.614 1.00 15.40 H new ATOM 0 HG12 VAL B 89 -9.343 5.278 5.765 1.00 15.40 H new ATOM 0 HG13 VAL B 89 -9.407 3.823 4.742 1.00 15.40 H new ATOM 0 HG21 VAL B 89 -12.421 3.422 4.997 1.00 34.44 H new ATOM 0 HG22 VAL B 89 -11.232 2.106 5.139 1.00 34.44 H new ATOM 0 HG23 VAL B 89 -12.418 2.377 6.438 1.00 34.44 H new ATOM 1927 N LEU B 90 -7.646 4.057 7.629 1.00 54.01 N ATOM 1928 CA LEU B 90 -6.569 4.914 8.135 1.00 15.50 C ATOM 1929 C LEU B 90 -5.639 5.247 6.956 1.00 15.43 C ATOM 1930 O LEU B 90 -5.526 4.446 6.022 1.00 65.14 O ATOM 1931 CB LEU B 90 -5.828 4.189 9.275 1.00 71.03 C ATOM 1932 CG LEU B 90 -4.635 4.952 9.895 1.00 60.35 C ATOM 1933 CD1 LEU B 90 -5.041 6.305 10.487 1.00 44.03 C ATOM 1934 CD2 LEU B 90 -3.991 4.121 11.013 1.00 40.23 C ATOM 0 H LEU B 90 -7.329 3.442 6.880 1.00 54.01 H new ATOM 0 HA LEU B 90 -6.959 5.845 8.548 1.00 15.50 H new ATOM 0 HB2 LEU B 90 -6.545 3.969 10.066 1.00 71.03 H new ATOM 0 HB3 LEU B 90 -5.466 3.233 8.897 1.00 71.03 H new ATOM 0 HG LEU B 90 -3.931 5.125 9.081 1.00 60.35 H new ATOM 0 HD11 LEU B 90 -4.164 6.796 10.908 1.00 44.03 H new ATOM 0 HD12 LEU B 90 -5.467 6.932 9.704 1.00 44.03 H new ATOM 0 HD13 LEU B 90 -5.782 6.151 11.271 1.00 44.03 H new ATOM 0 HD21 LEU B 90 -3.153 4.672 11.439 1.00 40.23 H new ATOM 0 HD22 LEU B 90 -4.729 3.924 11.791 1.00 40.23 H new ATOM 0 HD23 LEU B 90 -3.634 3.176 10.604 1.00 40.23 H new ATOM 1945 N TYR B 91 -4.963 6.398 6.979 1.00 64.11 N ATOM 1946 CA TYR B 91 -4.058 6.839 5.914 1.00 14.42 C ATOM 1947 C TYR B 91 -2.607 6.452 6.221 1.00 43.53 C ATOM 1948 O TYR B 91 -2.221 6.276 7.382 1.00 2.32 O ATOM 1949 CB TYR B 91 -4.210 8.349 5.689 1.00 40.41 C ATOM 1950 CG TYR B 91 -5.634 8.868 5.571 1.00 2.33 C ATOM 1951 CD1 TYR B 91 -6.637 8.115 4.929 1.00 13.42 C ATOM 1952 CD2 TYR B 91 -5.973 10.099 6.165 1.00 22.12 C ATOM 1953 CE1 TYR B 91 -7.969 8.565 4.912 1.00 21.34 C ATOM 1954 CE2 TYR B 91 -7.301 10.550 6.155 1.00 62.12 C ATOM 1955 CZ TYR B 91 -8.311 9.789 5.530 1.00 21.41 C ATOM 1956 OH TYR B 91 -9.595 10.235 5.554 1.00 73.32 O ATOM 0 H TYR B 91 -5.030 7.061 7.751 1.00 64.11 H new ATOM 0 HA TYR B 91 -4.330 6.329 4.990 1.00 14.42 H new ATOM 0 HB2 TYR B 91 -3.722 8.869 6.513 1.00 40.41 H new ATOM 0 HB3 TYR B 91 -3.671 8.616 4.780 1.00 40.41 H new ATOM 0 HD1 TYR B 91 -6.380 7.184 4.446 1.00 13.42 H new ATOM 0 HD2 TYR B 91 -5.206 10.699 6.631 1.00 22.12 H new ATOM 0 HE1 TYR B 91 -8.732 7.975 4.426 1.00 21.34 H new ATOM 0 HE2 TYR B 91 -7.552 11.487 6.629 1.00 62.12 H new ATOM 0 HH TYR B 91 -10.194 9.525 5.241 1.00 73.32 H new ATOM 1965 N TYR B 92 -1.795 6.337 5.167 1.00 63.52 N ATOM 1966 CA TYR B 92 -0.396 5.940 5.276 1.00 51.33 C ATOM 1967 C TYR B 92 0.511 7.099 5.689 1.00 33.32 C ATOM 1968 O TYR B 92 0.053 8.231 5.852 1.00 50.40 O ATOM 1969 CB TYR B 92 0.051 5.242 3.980 1.00 20.31 C ATOM 1970 CG TYR B 92 1.296 4.384 4.099 1.00 12.44 C ATOM 1971 CD1 TYR B 92 1.436 3.497 5.182 1.00 52.00 C ATOM 1972 CD2 TYR B 92 2.312 4.461 3.126 1.00 75.00 C ATOM 1973 CE1 TYR B 92 2.575 2.695 5.298 1.00 23.35 C ATOM 1974 CE2 TYR B 92 3.454 3.645 3.227 1.00 15.35 C ATOM 1975 CZ TYR B 92 3.579 2.744 4.308 1.00 51.32 C ATOM 1976 OH TYR B 92 4.637 1.893 4.401 1.00 54.04 O ATOM 0 H TYR B 92 -2.095 6.519 4.209 1.00 63.52 H new ATOM 0 HA TYR B 92 -0.302 5.217 6.087 1.00 51.33 H new ATOM 0 HB2 TYR B 92 -0.768 4.617 3.623 1.00 20.31 H new ATOM 0 HB3 TYR B 92 0.226 6.003 3.219 1.00 20.31 H new ATOM 0 HD1 TYR B 92 0.658 3.435 5.929 1.00 52.00 H new ATOM 0 HD2 TYR B 92 2.214 5.149 2.299 1.00 75.00 H new ATOM 0 HE1 TYR B 92 2.687 2.037 6.147 1.00 23.35 H new ATOM 0 HE2 TYR B 92 4.232 3.707 2.481 1.00 15.35 H new ATOM 0 HH TYR B 92 4.927 1.632 3.502 1.00 54.04 H new ATOM 1985 N ASN B 93 1.795 6.809 5.903 1.00 45.11 N ATOM 1986 CA ASN B 93 2.827 7.751 6.320 1.00 50.42 C ATOM 1987 C ASN B 93 4.137 7.426 5.626 1.00 42.33 C ATOM 1988 O ASN B 93 5.068 8.251 5.718 1.00 41.31 O ATOM 1989 CB ASN B 93 3.009 7.705 7.846 1.00 14.22 C ATOM 1990 CG ASN B 93 3.293 6.296 8.339 1.00 24.41 C ATOM 1991 OD1 ASN B 93 2.382 5.628 8.826 1.00 75.51 O ATOM 1992 ND2 ASN B 93 4.506 5.802 8.182 1.00 13.05 N ATOM 0 H ASN B 93 2.158 5.863 5.784 1.00 45.11 H new ATOM 0 HA ASN B 93 2.517 8.757 6.038 1.00 50.42 H new ATOM 0 HB2 ASN B 93 3.829 8.363 8.134 1.00 14.22 H new ATOM 0 HB3 ASN B 93 2.110 8.085 8.331 1.00 14.22 H new ATOM 0 HD21 ASN B 93 4.707 4.844 8.467 1.00 13.05 H new ATOM 0 HD22 ASN B 93 5.243 6.378 7.775 1.00 13.05 H new