USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 679 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 30 SER OG : rot 4:sc= -0.582 USER MOD Set 1.2: B 72 SER OG : rot -16:sc= 1.04 USER MOD Single : B 6 THR OG1 : rot -4:sc= -1.64! USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 166:sc= -2.31! USER MOD Single : B 20 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.52) USER MOD Single : B 22 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.47) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.193 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 33 THR OG1 : rot 8:sc= 0.708 USER MOD Single : B 34 THR OG1 : rot 54:sc=0.000439 USER MOD Single : B 42 ASN : amide:sc= -0.007 X(o=-0.007,f=-0.28) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.297) USER MOD Single : B 103 SER OG : rot -13:sc= 0.653 USER MOD Single : B 105 SER OG : rot 140:sc= 0.102 USER MOD Single : B 109 GLN : amide:sc= -2.99! K(o=-3!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.312 -0.771 6.637 1.00 0.00 N ATOM 382 CA VAL B 5 13.226 0.653 6.352 1.00 0.00 C ATOM 383 C VAL B 5 12.441 0.926 5.068 1.00 0.00 C ATOM 384 O VAL B 5 12.732 0.351 4.019 1.00 0.00 O ATOM 385 CB VAL B 5 14.633 1.264 6.209 1.00 0.00 C ATOM 386 CG1 VAL B 5 15.491 0.422 5.270 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.537 2.694 5.715 1.00 0.00 C ATOM 0 HA VAL B 5 12.703 1.113 7.191 1.00 0.00 H new ATOM 0 HB VAL B 5 15.111 1.270 7.189 1.00 0.00 H new ATOM 0 HG11 VAL B 5 16.481 0.870 5.182 1.00 0.00 H new ATOM 0 HG12 VAL B 5 15.584 -0.588 5.669 1.00 0.00 H new ATOM 0 HG13 VAL B 5 15.022 0.382 4.287 1.00 0.00 H new ATOM 0 HG21 VAL B 5 15.538 3.114 5.618 1.00 0.00 H new ATOM 0 HG22 VAL B 5 14.041 2.711 4.744 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.962 3.287 6.426 1.00 0.00 H new ATOM 397 N THR B 6 11.441 1.804 5.157 1.00 0.00 N ATOM 398 CA THR B 6 10.641 2.165 4.002 1.00 0.00 C ATOM 399 C THR B 6 10.037 3.554 4.149 1.00 0.00 C ATOM 400 O THR B 6 10.649 4.555 3.778 1.00 0.00 O ATOM 401 CB THR B 6 9.523 1.149 3.729 1.00 0.00 C ATOM 402 OG1 THR B 6 10.081 -0.149 3.501 1.00 0.00 O ATOM 403 CG2 THR B 6 8.717 1.575 2.516 1.00 0.00 C ATOM 0 H THR B 6 11.171 2.275 6.021 1.00 0.00 H new ATOM 0 HA THR B 6 11.323 2.163 3.152 1.00 0.00 H new ATOM 0 HB THR B 6 8.868 1.109 4.600 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.059 -0.091 3.510 1.00 0.00 H new ATOM 0 HG21 THR B 6 7.927 0.848 2.331 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.274 2.554 2.699 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.371 1.630 1.646 1.00 0.00 H new ATOM 411 N LEU B 7 8.833 3.602 4.692 1.00 0.00 N ATOM 412 CA LEU B 7 8.125 4.864 4.884 1.00 0.00 C ATOM 413 C LEU B 7 8.220 5.355 6.325 1.00 0.00 C ATOM 414 O LEU B 7 8.915 4.769 7.155 1.00 0.00 O ATOM 415 CB LEU B 7 6.652 4.713 4.494 1.00 0.00 C ATOM 416 CG LEU B 7 6.260 5.334 3.150 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.643 6.805 3.112 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.913 4.582 2.000 1.00 0.00 C ATOM 0 H LEU B 7 8.320 2.780 5.010 1.00 0.00 H new ATOM 0 HA LEU B 7 8.603 5.603 4.241 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.408 3.651 4.469 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.039 5.163 5.275 1.00 0.00 H new ATOM 0 HG LEU B 7 5.179 5.256 3.038 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.357 7.231 2.150 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.127 7.336 3.912 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.720 6.904 3.247 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.622 5.039 1.054 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.997 4.626 2.105 1.00 0.00 H new ATOM 0 HD23 LEU B 7 6.589 3.541 2.015 1.00 0.00 H new ATOM 430 N ASP B 8 7.507 6.443 6.601 1.00 0.00 N ATOM 431 CA ASP B 8 7.484 7.043 7.930 1.00 0.00 C ATOM 432 C ASP B 8 6.396 8.112 8.012 1.00 0.00 C ATOM 433 O ASP B 8 5.854 8.381 9.083 1.00 0.00 O ATOM 434 CB ASP B 8 8.846 7.653 8.266 1.00 0.00 C ATOM 435 CG ASP B 8 8.892 8.236 9.663 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.585 9.438 9.817 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.235 7.491 10.606 1.00 0.00 O ATOM 0 H ASP B 8 6.932 6.931 5.914 1.00 0.00 H new ATOM 0 HA ASP B 8 7.263 6.261 8.656 1.00 0.00 H new ATOM 0 HB2 ASP B 8 9.617 6.888 8.169 1.00 0.00 H new ATOM 0 HB3 ASP B 8 9.079 8.434 7.542 1.00 0.00 H new ATOM 442 N ASP B 9 6.086 8.715 6.866 1.00 0.00 N ATOM 443 CA ASP B 9 5.062 9.752 6.792 1.00 0.00 C ATOM 444 C ASP B 9 4.172 9.542 5.571 1.00 0.00 C ATOM 445 O ASP B 9 4.220 8.491 4.930 1.00 0.00 O ATOM 446 CB ASP B 9 5.710 11.137 6.735 1.00 0.00 C ATOM 447 CG ASP B 9 6.567 11.425 7.951 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.014 11.884 8.973 1.00 0.00 O ATOM 449 OD2 ASP B 9 7.792 11.193 7.882 1.00 0.00 O ATOM 0 H ASP B 9 6.532 8.501 5.974 1.00 0.00 H new ATOM 0 HA ASP B 9 4.445 9.687 7.688 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.322 11.212 5.836 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.932 11.896 6.654 1.00 0.00 H new ATOM 454 N ALA B 10 3.358 10.545 5.250 1.00 0.00 N ATOM 455 CA ALA B 10 2.458 10.464 4.104 1.00 0.00 C ATOM 456 C ALA B 10 2.806 11.509 3.049 1.00 0.00 C ATOM 457 O ALA B 10 2.015 11.778 2.144 1.00 0.00 O ATOM 458 CB ALA B 10 1.015 10.629 4.555 1.00 0.00 C ATOM 0 H ALA B 10 3.304 11.422 5.767 1.00 0.00 H new ATOM 0 HA ALA B 10 2.579 9.480 3.652 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.354 10.567 3.690 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.762 9.839 5.263 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.893 11.600 5.036 1.00 0.00 H new ATOM 464 N ASP B 11 3.994 12.094 3.167 1.00 0.00 N ATOM 465 CA ASP B 11 4.443 13.109 2.221 1.00 0.00 C ATOM 466 C ASP B 11 5.703 12.654 1.490 1.00 0.00 C ATOM 467 O ASP B 11 6.129 13.280 0.518 1.00 0.00 O ATOM 468 CB ASP B 11 4.710 14.428 2.950 1.00 0.00 C ATOM 469 CG ASP B 11 5.108 15.544 2.005 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.323 15.730 1.783 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.204 16.233 1.486 1.00 0.00 O ATOM 0 H ASP B 11 4.662 11.883 3.908 1.00 0.00 H new ATOM 0 HA ASP B 11 3.654 13.260 1.484 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.816 14.723 3.499 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.501 14.279 3.685 1.00 0.00 H new ATOM 476 N ASP B 12 6.294 11.562 1.962 1.00 0.00 N ATOM 477 CA ASP B 12 7.509 11.028 1.355 1.00 0.00 C ATOM 478 C ASP B 12 7.177 10.059 0.224 1.00 0.00 C ATOM 479 O ASP B 12 8.062 9.387 -0.307 1.00 0.00 O ATOM 480 CB ASP B 12 8.362 10.323 2.412 1.00 0.00 C ATOM 481 CG ASP B 12 8.838 11.269 3.495 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.943 11.836 3.347 1.00 0.00 O ATOM 483 OD2 ASP B 12 8.110 11.443 4.494 1.00 0.00 O ATOM 0 H ASP B 12 5.953 11.029 2.762 1.00 0.00 H new ATOM 0 HA ASP B 12 8.072 11.862 0.937 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.783 9.519 2.865 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.225 9.862 1.931 1.00 0.00 H new ATOM 488 N CYS B 13 5.901 9.991 -0.146 1.00 0.00 N ATOM 489 CA CYS B 13 5.468 9.101 -1.218 1.00 0.00 C ATOM 490 C CYS B 13 5.961 9.600 -2.571 1.00 0.00 C ATOM 491 O CYS B 13 5.863 10.786 -2.883 1.00 0.00 O ATOM 492 CB CYS B 13 3.944 8.976 -1.235 1.00 0.00 C ATOM 493 SG CYS B 13 3.237 8.237 0.275 1.00 0.00 S ATOM 0 H CYS B 13 5.153 10.539 0.278 1.00 0.00 H new ATOM 0 HA CYS B 13 5.900 8.118 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.511 9.966 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS B 13 3.650 8.372 -2.093 1.00 0.00 H new ATOM 498 N SER B 14 6.489 8.679 -3.370 1.00 0.00 N ATOM 499 CA SER B 14 7.005 9.012 -4.694 1.00 0.00 C ATOM 500 C SER B 14 7.378 7.744 -5.457 1.00 0.00 C ATOM 501 O SER B 14 7.600 6.698 -4.849 1.00 0.00 O ATOM 502 CB SER B 14 8.229 9.919 -4.573 1.00 0.00 C ATOM 503 OG SER B 14 9.133 9.428 -3.599 1.00 0.00 O ATOM 0 H SER B 14 6.571 7.693 -3.123 1.00 0.00 H new ATOM 0 HA SER B 14 6.224 9.538 -5.243 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.731 9.988 -5.538 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.913 10.927 -4.305 1.00 0.00 H new ATOM 0 HG SER B 14 9.908 10.025 -3.542 1.00 0.00 H new ATOM 509 N PRO B 15 7.448 7.817 -6.800 1.00 0.00 N ATOM 510 CA PRO B 15 7.808 6.662 -7.627 1.00 0.00 C ATOM 511 C PRO B 15 9.238 6.204 -7.370 1.00 0.00 C ATOM 512 O PRO B 15 10.151 6.507 -8.140 1.00 0.00 O ATOM 513 CB PRO B 15 7.662 7.174 -9.058 1.00 0.00 C ATOM 514 CG PRO B 15 7.769 8.656 -8.952 1.00 0.00 C ATOM 515 CD PRO B 15 7.186 9.019 -7.614 1.00 0.00 C ATOM 0 HA PRO B 15 7.180 5.797 -7.412 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.441 6.768 -9.704 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.705 6.877 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO B 15 8.808 8.978 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO B 15 7.225 9.145 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.663 9.904 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO B 15 6.120 9.235 -7.684 1.00 0.00 H new ATOM 523 N LEU B 16 9.421 5.482 -6.277 1.00 0.00 N ATOM 524 CA LEU B 16 10.734 4.978 -5.894 1.00 0.00 C ATOM 525 C LEU B 16 11.204 3.890 -6.853 1.00 0.00 C ATOM 526 O LEU B 16 10.571 2.839 -6.971 1.00 0.00 O ATOM 527 CB LEU B 16 10.693 4.429 -4.467 1.00 0.00 C ATOM 528 CG LEU B 16 12.047 4.005 -3.895 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.969 5.208 -3.765 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.868 3.318 -2.550 1.00 0.00 C ATOM 0 H LEU B 16 8.672 5.229 -5.633 1.00 0.00 H new ATOM 0 HA LEU B 16 11.440 5.807 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.262 5.188 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.022 3.571 -4.444 1.00 0.00 H new ATOM 0 HG LEU B 16 12.505 3.294 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU B 16 13.928 4.889 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.124 5.656 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.517 5.942 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.842 3.024 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.389 4.004 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.244 2.433 -2.674 1.00 0.00 H new ATOM 542 N LYS B 17 12.313 4.152 -7.536 1.00 0.00 N ATOM 543 CA LYS B 17 12.873 3.196 -8.483 1.00 0.00 C ATOM 544 C LYS B 17 13.591 2.067 -7.751 1.00 0.00 C ATOM 545 O LYS B 17 14.403 2.313 -6.860 1.00 0.00 O ATOM 546 CB LYS B 17 13.841 3.906 -9.429 1.00 0.00 C ATOM 547 CG LYS B 17 13.196 5.033 -10.219 1.00 0.00 C ATOM 548 CD LYS B 17 14.234 6.020 -10.724 1.00 0.00 C ATOM 549 CE LYS B 17 13.597 7.122 -11.554 1.00 0.00 C ATOM 550 NZ LYS B 17 14.606 8.097 -12.053 1.00 0.00 N ATOM 0 H LYS B 17 12.842 5.020 -7.451 1.00 0.00 H new ATOM 0 HA LYS B 17 12.057 2.765 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.673 4.308 -8.851 1.00 0.00 H new ATOM 0 HB3 LYS B 17 14.258 3.177 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.645 4.619 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.473 5.553 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS B 17 14.762 6.459 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.976 5.494 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS B 17 13.070 6.681 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS B 17 12.853 7.645 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 14.130 8.832 -12.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 15.092 8.538 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 15.301 7.603 -12.648 1.00 0.00 H new ATOM 564 N LEU B 18 13.283 0.831 -8.138 1.00 0.00 N ATOM 565 CA LEU B 18 13.890 -0.346 -7.524 1.00 0.00 C ATOM 566 C LEU B 18 13.530 -0.433 -6.043 1.00 0.00 C ATOM 567 O LEU B 18 13.068 0.544 -5.451 1.00 0.00 O ATOM 568 CB LEU B 18 15.408 -0.308 -7.698 1.00 0.00 C ATOM 569 CG LEU B 18 16.160 -1.547 -7.225 1.00 0.00 C ATOM 570 CD1 LEU B 18 15.612 -2.801 -7.893 1.00 0.00 C ATOM 571 CD2 LEU B 18 17.649 -1.402 -7.494 1.00 0.00 C ATOM 0 H LEU B 18 12.613 0.619 -8.878 1.00 0.00 H new ATOM 0 HA LEU B 18 13.499 -1.233 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU B 18 15.630 -0.152 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU B 18 15.795 0.557 -7.159 1.00 0.00 H new ATOM 0 HG LEU B 18 16.013 -1.645 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU B 18 16.164 -3.672 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU B 18 14.557 -2.915 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU B 18 15.722 -2.715 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU B 18 18.170 -2.296 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU B 18 17.815 -1.275 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU B 18 18.032 -0.531 -6.961 1.00 0.00 H new ATOM 583 N THR B 19 13.754 -1.603 -5.453 1.00 0.00 N ATOM 584 CA THR B 19 13.445 -1.832 -4.043 1.00 0.00 C ATOM 585 C THR B 19 13.612 -3.301 -3.651 1.00 0.00 C ATOM 586 O THR B 19 13.745 -3.616 -2.467 1.00 0.00 O ATOM 587 CB THR B 19 12.010 -1.388 -3.701 1.00 0.00 C ATOM 588 OG1 THR B 19 11.688 -1.754 -2.356 1.00 0.00 O ATOM 589 CG2 THR B 19 11.007 -2.008 -4.661 1.00 0.00 C ATOM 0 H THR B 19 14.150 -2.412 -5.931 1.00 0.00 H new ATOM 0 HA THR B 19 14.157 -1.231 -3.476 1.00 0.00 H new ATOM 0 HB THR B 19 11.957 -0.304 -3.800 1.00 0.00 H new ATOM 0 HG1 THR B 19 10.878 -1.281 -2.073 1.00 0.00 H new ATOM 0 HG21 THR B 19 10.001 -1.679 -4.399 1.00 0.00 H new ATOM 0 HG22 THR B 19 11.237 -1.695 -5.680 1.00 0.00 H new ATOM 0 HG23 THR B 19 11.063 -3.094 -4.594 1.00 0.00 H new ATOM 597 N GLN B 20 13.590 -4.198 -4.640 1.00 0.00 N ATOM 598 CA GLN B 20 13.748 -5.632 -4.383 1.00 0.00 C ATOM 599 C GLN B 20 14.822 -5.883 -3.332 1.00 0.00 C ATOM 600 O GLN B 20 16.002 -5.610 -3.558 1.00 0.00 O ATOM 601 CB GLN B 20 14.111 -6.375 -5.670 1.00 0.00 C ATOM 602 CG GLN B 20 13.057 -6.269 -6.758 1.00 0.00 C ATOM 603 CD GLN B 20 13.416 -7.060 -7.998 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.591 -7.244 -8.316 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.400 -7.533 -8.713 1.00 0.00 N ATOM 0 H GLN B 20 13.465 -3.958 -5.623 1.00 0.00 H new ATOM 0 HA GLN B 20 12.795 -6.007 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.054 -5.983 -6.051 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.275 -7.427 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.102 -6.624 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.922 -5.221 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.441 -7.358 -8.414 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.580 -8.071 -9.561 1.00 0.00 H new ATOM 614 N GLY B 21 14.408 -6.407 -2.183 1.00 0.00 N ATOM 615 CA GLY B 21 15.348 -6.681 -1.116 1.00 0.00 C ATOM 616 C GLY B 21 15.349 -5.591 -0.065 1.00 0.00 C ATOM 617 O GLY B 21 16.408 -5.160 0.389 1.00 0.00 O ATOM 0 H GLY B 21 13.439 -6.646 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.099 -7.634 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.350 -6.783 -1.533 1.00 0.00 H new ATOM 621 N GLN B 22 14.157 -5.139 0.308 1.00 0.00 N ATOM 622 CA GLN B 22 14.007 -4.094 1.313 1.00 0.00 C ATOM 623 C GLN B 22 12.772 -4.357 2.169 1.00 0.00 C ATOM 624 O GLN B 22 11.674 -4.548 1.642 1.00 0.00 O ATOM 625 CB GLN B 22 13.893 -2.723 0.645 1.00 0.00 C ATOM 626 CG GLN B 22 15.130 -2.317 -0.145 1.00 0.00 C ATOM 627 CD GLN B 22 16.376 -2.245 0.716 1.00 0.00 C ATOM 628 OE1 GLN B 22 17.489 -2.460 0.234 1.00 0.00 O ATOM 629 NE2 GLN B 22 16.195 -1.946 1.997 1.00 0.00 N ATOM 0 H GLN B 22 13.276 -5.483 -0.073 1.00 0.00 H new ATOM 0 HA GLN B 22 14.890 -4.102 1.952 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.032 -2.726 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN B 22 13.700 -1.972 1.411 1.00 0.00 H new ATOM 0 HG2 GLN B 22 15.292 -3.032 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.957 -1.346 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN B 22 15.254 -1.776 2.353 1.00 0.00 H new ATOM 0 HE22 GLN B 22 16.997 -1.887 2.625 1.00 0.00 H new ATOM 638 N GLU B 23 12.954 -4.376 3.488 1.00 0.00 N ATOM 639 CA GLU B 23 11.842 -4.619 4.398 1.00 0.00 C ATOM 640 C GLU B 23 11.050 -3.346 4.683 1.00 0.00 C ATOM 641 O GLU B 23 11.285 -2.301 4.080 1.00 0.00 O ATOM 642 CB GLU B 23 12.338 -5.214 5.713 1.00 0.00 C ATOM 643 CG GLU B 23 12.992 -6.573 5.558 1.00 0.00 C ATOM 644 CD GLU B 23 12.178 -7.687 6.187 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.322 -8.266 5.486 1.00 0.00 O ATOM 646 OE2 GLU B 23 12.398 -7.980 7.382 1.00 0.00 O ATOM 0 H GLU B 23 13.854 -4.227 3.945 1.00 0.00 H new ATOM 0 HA GLU B 23 11.180 -5.330 3.905 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.052 -4.526 6.166 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.498 -5.301 6.402 1.00 0.00 H new ATOM 0 HG2 GLU B 23 13.134 -6.785 4.498 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.982 -6.550 6.013 1.00 0.00 H new ATOM 653 N LEU B 24 10.106 -3.470 5.612 1.00 0.00 N ATOM 654 CA LEU B 24 9.236 -2.370 6.028 1.00 0.00 C ATOM 655 C LEU B 24 8.192 -2.066 4.952 1.00 0.00 C ATOM 656 O LEU B 24 7.910 -2.910 4.102 1.00 0.00 O ATOM 657 CB LEU B 24 10.032 -1.108 6.395 1.00 0.00 C ATOM 658 CG LEU B 24 9.638 -0.467 7.740 1.00 0.00 C ATOM 659 CD1 LEU B 24 10.486 0.758 8.028 1.00 0.00 C ATOM 660 CD2 LEU B 24 8.168 -0.086 7.761 1.00 0.00 C ATOM 0 H LEU B 24 9.920 -4.345 6.103 1.00 0.00 H new ATOM 0 HA LEU B 24 8.717 -2.693 6.931 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.092 -1.359 6.425 1.00 0.00 H new ATOM 0 HB3 LEU B 24 9.901 -0.370 5.604 1.00 0.00 H new ATOM 0 HG LEU B 24 9.816 -1.212 8.516 1.00 0.00 H new ATOM 0 HD11 LEU B 24 10.187 1.191 8.983 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.537 0.471 8.072 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.344 1.493 7.236 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.922 0.363 8.723 1.00 0.00 H new ATOM 0 HD22 LEU B 24 7.966 0.630 6.964 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.559 -0.977 7.611 1.00 0.00 H new ATOM 672 N VAL B 25 7.648 -0.846 4.981 1.00 0.00 N ATOM 673 CA VAL B 25 6.610 -0.416 4.047 1.00 0.00 C ATOM 674 C VAL B 25 5.902 0.832 4.569 1.00 0.00 C ATOM 675 O VAL B 25 5.672 1.781 3.822 1.00 0.00 O ATOM 676 CB VAL B 25 5.554 -1.510 3.785 1.00 0.00 C ATOM 677 CG1 VAL B 25 4.939 -1.994 5.090 1.00 0.00 C ATOM 678 CG2 VAL B 25 4.477 -0.998 2.837 1.00 0.00 C ATOM 0 H VAL B 25 7.917 -0.129 5.655 1.00 0.00 H new ATOM 0 HA VAL B 25 7.117 -0.200 3.107 1.00 0.00 H new ATOM 0 HB VAL B 25 6.051 -2.357 3.313 1.00 0.00 H new ATOM 0 HG11 VAL B 25 4.198 -2.765 4.879 1.00 0.00 H new ATOM 0 HG12 VAL B 25 5.720 -2.407 5.729 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.458 -1.158 5.598 1.00 0.00 H new ATOM 0 HG21 VAL B 25 3.741 -1.783 2.664 1.00 0.00 H new ATOM 0 HG22 VAL B 25 3.986 -0.131 3.279 1.00 0.00 H new ATOM 0 HG23 VAL B 25 4.933 -0.713 1.889 1.00 0.00 H new ATOM 688 N LEU B 26 5.558 0.823 5.861 1.00 0.00 N ATOM 689 CA LEU B 26 4.871 1.954 6.484 1.00 0.00 C ATOM 690 C LEU B 26 5.188 2.050 7.973 1.00 0.00 C ATOM 691 O LEU B 26 5.630 1.084 8.592 1.00 0.00 O ATOM 692 CB LEU B 26 3.357 1.825 6.302 1.00 0.00 C ATOM 693 CG LEU B 26 2.844 2.016 4.877 1.00 0.00 C ATOM 694 CD1 LEU B 26 1.339 1.817 4.830 1.00 0.00 C ATOM 695 CD2 LEU B 26 3.217 3.394 4.352 1.00 0.00 C ATOM 0 H LEU B 26 5.745 0.045 6.493 1.00 0.00 H new ATOM 0 HA LEU B 26 5.226 2.860 5.992 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.050 0.839 6.650 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.868 2.556 6.946 1.00 0.00 H new ATOM 0 HG LEU B 26 3.314 1.270 4.237 1.00 0.00 H new ATOM 0 HD11 LEU B 26 0.985 1.956 3.808 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.095 0.809 5.165 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.855 2.543 5.483 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.842 3.510 3.335 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.775 4.159 4.991 1.00 0.00 H new ATOM 0 HD23 LEU B 26 4.302 3.503 4.353 1.00 0.00 H new ATOM 707 N THR B 27 4.940 3.227 8.543 1.00 0.00 N ATOM 708 CA THR B 27 5.184 3.464 9.962 1.00 0.00 C ATOM 709 C THR B 27 4.323 4.617 10.473 1.00 0.00 C ATOM 710 O THR B 27 4.683 5.784 10.324 1.00 0.00 O ATOM 711 CB THR B 27 6.668 3.782 10.236 1.00 0.00 C ATOM 712 OG1 THR B 27 7.495 2.724 9.740 1.00 0.00 O ATOM 713 CG2 THR B 27 6.916 3.969 11.727 1.00 0.00 C ATOM 0 H THR B 27 4.569 4.034 8.041 1.00 0.00 H new ATOM 0 HA THR B 27 4.919 2.548 10.490 1.00 0.00 H new ATOM 0 HB THR B 27 6.918 4.710 9.723 1.00 0.00 H new ATOM 0 HG1 THR B 27 8.436 2.934 9.916 1.00 0.00 H new ATOM 0 HG21 THR B 27 7.970 4.192 11.895 1.00 0.00 H new ATOM 0 HG22 THR B 27 6.307 4.794 12.097 1.00 0.00 H new ATOM 0 HG23 THR B 27 6.650 3.055 12.258 1.00 0.00 H new ATOM 721 N LEU B 28 3.181 4.281 11.073 1.00 0.00 N ATOM 722 CA LEU B 28 2.267 5.292 11.597 1.00 0.00 C ATOM 723 C LEU B 28 1.603 4.814 12.888 1.00 0.00 C ATOM 724 O LEU B 28 1.447 3.614 13.106 1.00 0.00 O ATOM 725 CB LEU B 28 1.192 5.624 10.559 1.00 0.00 C ATOM 726 CG LEU B 28 1.712 6.211 9.244 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.592 6.293 8.217 1.00 0.00 C ATOM 728 CD2 LEU B 28 2.324 7.585 9.478 1.00 0.00 C ATOM 0 H LEU B 28 2.869 3.319 11.207 1.00 0.00 H new ATOM 0 HA LEU B 28 2.848 6.188 11.816 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.632 4.716 10.336 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.490 6.331 11.001 1.00 0.00 H new ATOM 0 HG LEU B 28 2.488 5.551 8.855 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.980 6.713 7.289 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.198 5.294 8.027 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.205 6.931 8.598 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.688 7.987 8.533 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.569 8.254 9.890 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.154 7.499 10.179 1.00 0.00 H new ATOM 740 N PRO B 29 1.206 5.756 13.765 1.00 0.00 N ATOM 741 CA PRO B 29 0.557 5.433 15.032 1.00 0.00 C ATOM 742 C PRO B 29 -0.958 5.312 14.892 1.00 0.00 C ATOM 743 O PRO B 29 -1.560 5.916 14.005 1.00 0.00 O ATOM 744 CB PRO B 29 0.920 6.634 15.899 1.00 0.00 C ATOM 745 CG PRO B 29 0.986 7.782 14.945 1.00 0.00 C ATOM 746 CD PRO B 29 1.369 7.212 13.598 1.00 0.00 C ATOM 0 HA PRO B 29 0.877 4.473 15.436 1.00 0.00 H new ATOM 0 HB2 PRO B 29 0.172 6.805 16.673 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.874 6.484 16.405 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.025 8.293 14.889 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.719 8.517 15.276 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.727 7.597 12.805 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.394 7.471 13.332 1.00 0.00 H new ATOM 754 N SER B 30 -1.569 4.528 15.777 1.00 0.00 N ATOM 755 CA SER B 30 -3.016 4.328 15.754 1.00 0.00 C ATOM 756 C SER B 30 -3.489 3.624 17.023 1.00 0.00 C ATOM 757 O SER B 30 -2.696 3.006 17.733 1.00 0.00 O ATOM 758 CB SER B 30 -3.422 3.515 14.524 1.00 0.00 C ATOM 759 OG SER B 30 -2.737 2.276 14.481 1.00 0.00 O ATOM 0 H SER B 30 -1.085 4.021 16.518 1.00 0.00 H new ATOM 0 HA SER B 30 -3.491 5.308 15.705 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.498 3.339 14.540 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.206 4.085 13.620 1.00 0.00 H new ATOM 0 HG SER B 30 -2.190 2.176 15.288 1.00 0.00 H new ATOM 765 N ASN B 31 -4.785 3.724 17.299 1.00 0.00 N ATOM 766 CA ASN B 31 -5.365 3.098 18.481 1.00 0.00 C ATOM 767 C ASN B 31 -5.985 1.743 18.134 1.00 0.00 C ATOM 768 O ASN B 31 -7.061 1.684 17.536 1.00 0.00 O ATOM 769 CB ASN B 31 -6.428 4.011 19.097 1.00 0.00 C ATOM 770 CG ASN B 31 -5.863 5.356 19.513 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.691 5.466 19.874 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.696 6.387 19.464 1.00 0.00 N ATOM 0 H ASN B 31 -5.453 4.233 16.720 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.566 2.938 19.204 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.233 4.164 18.378 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.866 3.520 19.966 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.373 7.317 19.732 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -7.660 6.250 19.159 1.00 0.00 H new ATOM 779 N PRO B 32 -5.314 0.634 18.501 1.00 0.00 N ATOM 780 CA PRO B 32 -5.811 -0.719 18.222 1.00 0.00 C ATOM 781 C PRO B 32 -6.986 -1.105 19.115 1.00 0.00 C ATOM 782 O PRO B 32 -7.112 -0.612 20.235 1.00 0.00 O ATOM 783 CB PRO B 32 -4.602 -1.603 18.518 1.00 0.00 C ATOM 784 CG PRO B 32 -3.857 -0.852 19.561 1.00 0.00 C ATOM 785 CD PRO B 32 -4.020 0.602 19.213 1.00 0.00 C ATOM 0 HA PRO B 32 -6.189 -0.813 17.204 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -4.905 -2.588 18.874 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -3.994 -1.759 17.627 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.254 -1.063 20.554 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -2.805 -1.136 19.571 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.034 1.230 20.104 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -3.205 0.960 18.584 1.00 0.00 H new ATOM 793 N THR B 33 -7.844 -1.987 18.603 1.00 0.00 N ATOM 794 CA THR B 33 -9.015 -2.452 19.343 1.00 0.00 C ATOM 795 C THR B 33 -9.816 -1.287 19.916 1.00 0.00 C ATOM 796 O THR B 33 -10.539 -1.442 20.899 1.00 0.00 O ATOM 797 CB THR B 33 -8.618 -3.403 20.489 1.00 0.00 C ATOM 798 OG1 THR B 33 -7.836 -2.706 21.466 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.829 -4.591 19.957 1.00 0.00 C ATOM 0 H THR B 33 -7.748 -2.395 17.673 1.00 0.00 H new ATOM 0 HA THR B 33 -9.637 -2.993 18.630 1.00 0.00 H new ATOM 0 HB THR B 33 -9.533 -3.769 20.955 1.00 0.00 H new ATOM 0 HG1 THR B 33 -7.825 -1.749 21.254 1.00 0.00 H new ATOM 0 HG21 THR B 33 -7.560 -5.248 20.784 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.438 -5.141 19.240 1.00 0.00 H new ATOM 0 HG23 THR B 33 -6.923 -4.236 19.466 1.00 0.00 H new ATOM 807 N THR B 34 -9.690 -0.122 19.289 1.00 0.00 N ATOM 808 CA THR B 34 -10.402 1.069 19.738 1.00 0.00 C ATOM 809 C THR B 34 -11.535 1.421 18.778 1.00 0.00 C ATOM 810 O THR B 34 -12.612 1.839 19.200 1.00 0.00 O ATOM 811 CB THR B 34 -9.453 2.278 19.863 1.00 0.00 C ATOM 812 OG1 THR B 34 -8.377 1.964 20.753 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.199 3.501 20.375 1.00 0.00 C ATOM 0 H THR B 34 -9.102 0.023 18.469 1.00 0.00 H new ATOM 0 HA THR B 34 -10.817 0.842 20.720 1.00 0.00 H new ATOM 0 HB THR B 34 -9.054 2.503 18.874 1.00 0.00 H new ATOM 0 HG1 THR B 34 -7.933 1.144 20.453 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.509 4.341 20.455 1.00 0.00 H new ATOM 0 HG22 THR B 34 -11.001 3.755 19.682 1.00 0.00 H new ATOM 0 HG23 THR B 34 -10.622 3.285 21.356 1.00 0.00 H new ATOM 821 N GLY B 35 -11.280 1.249 17.484 1.00 0.00 N ATOM 822 CA GLY B 35 -12.285 1.551 16.483 1.00 0.00 C ATOM 823 C GLY B 35 -11.682 2.105 15.208 1.00 0.00 C ATOM 824 O GLY B 35 -11.787 1.492 14.145 1.00 0.00 O ATOM 0 H GLY B 35 -10.395 0.906 17.112 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.848 0.646 16.252 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -12.994 2.272 16.890 1.00 0.00 H new ATOM 828 N PHE B 36 -11.047 3.268 15.314 1.00 0.00 N ATOM 829 CA PHE B 36 -10.422 3.908 14.168 1.00 0.00 C ATOM 830 C PHE B 36 -9.073 3.266 13.855 1.00 0.00 C ATOM 831 O PHE B 36 -8.098 3.462 14.581 1.00 0.00 O ATOM 832 CB PHE B 36 -10.243 5.399 14.438 1.00 0.00 C ATOM 833 CG PHE B 36 -11.540 6.145 14.572 1.00 0.00 C ATOM 834 CD1 PHE B 36 -12.171 6.254 15.801 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.129 6.740 13.467 1.00 0.00 C ATOM 836 CE1 PHE B 36 -13.363 6.939 15.927 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.323 7.427 13.586 1.00 0.00 C ATOM 838 CZ PHE B 36 -13.939 7.527 14.817 1.00 0.00 C ATOM 0 H PHE B 36 -10.953 3.786 16.187 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.072 3.776 13.303 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -9.663 5.527 15.352 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -9.662 5.839 13.628 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -11.724 5.797 16.672 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.650 6.666 12.502 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -13.844 7.015 16.891 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.773 7.885 12.717 1.00 0.00 H new ATOM 0 HZ PHE B 36 -14.871 8.065 14.913 1.00 0.00 H new ATOM 848 N ARG B 37 -9.025 2.497 12.771 1.00 0.00 N ATOM 849 CA ARG B 37 -7.800 1.823 12.360 1.00 0.00 C ATOM 850 C ARG B 37 -7.402 2.213 10.942 1.00 0.00 C ATOM 851 O ARG B 37 -7.849 3.233 10.417 1.00 0.00 O ATOM 852 CB ARG B 37 -7.976 0.308 12.436 1.00 0.00 C ATOM 853 CG ARG B 37 -7.859 -0.255 13.844 1.00 0.00 C ATOM 854 CD ARG B 37 -6.459 -0.073 14.407 1.00 0.00 C ATOM 855 NE ARG B 37 -5.451 -0.750 13.597 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.168 -0.843 13.940 1.00 0.00 C ATOM 857 NH1 ARG B 37 -3.740 -0.306 15.076 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.313 -1.474 13.148 1.00 0.00 N ATOM 0 H ARG B 37 -9.824 2.326 12.160 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.009 2.135 13.042 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.952 0.044 12.030 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.228 -0.167 11.802 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.580 0.239 14.495 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.113 -1.315 13.834 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.226 0.990 14.462 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -6.425 -0.460 15.426 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.746 -1.176 12.718 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.395 0.180 15.689 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -2.756 -0.379 15.336 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.638 -1.889 12.275 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.330 -1.545 13.412 1.00 0.00 H new ATOM 872 N TRP B 38 -6.556 1.389 10.330 1.00 0.00 N ATOM 873 CA TRP B 38 -6.098 1.639 8.971 1.00 0.00 C ATOM 874 C TRP B 38 -6.359 0.431 8.077 1.00 0.00 C ATOM 875 O TRP B 38 -5.901 -0.676 8.363 1.00 0.00 O ATOM 876 CB TRP B 38 -4.604 1.978 8.960 1.00 0.00 C ATOM 877 CG TRP B 38 -4.272 3.262 9.658 1.00 0.00 C ATOM 878 CD1 TRP B 38 -3.867 3.409 10.952 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.317 4.581 9.098 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.655 4.738 11.232 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.926 5.477 10.110 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.648 5.092 7.840 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.855 6.852 9.903 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.581 6.457 7.635 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.188 7.324 8.662 1.00 0.00 C ATOM 0 H TRP B 38 -6.175 0.544 10.755 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.658 2.489 8.581 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.053 1.165 9.432 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.262 2.037 7.927 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.732 2.599 11.654 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.346 5.113 12.129 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.951 4.431 7.041 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.548 7.522 10.693 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.836 6.862 6.667 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.147 8.386 8.471 1.00 0.00 H new ATOM 896 N GLU B 39 -7.096 0.654 6.994 1.00 0.00 N ATOM 897 CA GLU B 39 -7.418 -0.417 6.055 1.00 0.00 C ATOM 898 C GLU B 39 -6.521 -0.344 4.824 1.00 0.00 C ATOM 899 O GLU B 39 -5.945 0.703 4.524 1.00 0.00 O ATOM 900 CB GLU B 39 -8.888 -0.336 5.636 1.00 0.00 C ATOM 901 CG GLU B 39 -9.858 -0.494 6.796 1.00 0.00 C ATOM 902 CD GLU B 39 -9.688 -1.813 7.522 1.00 0.00 C ATOM 903 OE1 GLU B 39 -8.813 -1.895 8.409 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.430 -2.766 7.203 1.00 0.00 O ATOM 0 H GLU B 39 -7.481 1.565 6.744 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.245 -1.370 6.555 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.067 0.624 5.151 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.090 -1.110 4.896 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.713 0.325 7.500 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.880 -0.417 6.424 1.00 0.00 H new ATOM 911 N LEU B 40 -6.408 -1.464 4.113 1.00 0.00 N ATOM 912 CA LEU B 40 -5.577 -1.530 2.917 1.00 0.00 C ATOM 913 C LEU B 40 -6.420 -1.427 1.651 1.00 0.00 C ATOM 914 O LEU B 40 -7.098 -2.378 1.265 1.00 0.00 O ATOM 915 CB LEU B 40 -4.775 -2.834 2.896 1.00 0.00 C ATOM 916 CG LEU B 40 -3.818 -3.029 4.074 1.00 0.00 C ATOM 917 CD1 LEU B 40 -3.173 -4.406 4.011 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.755 -1.942 4.086 1.00 0.00 C ATOM 0 H LEU B 40 -6.882 -2.337 4.346 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.891 -0.684 2.944 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.473 -3.671 2.873 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.200 -2.873 1.971 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.391 -2.957 4.999 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.495 -4.529 4.856 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.947 -5.172 4.052 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.614 -4.504 3.080 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.084 -2.098 4.931 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.185 -1.981 3.158 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.233 -0.967 4.178 1.00 0.00 H new ATOM 930 N ARG B 41 -6.375 -0.263 1.009 1.00 0.00 N ATOM 931 CA ARG B 41 -7.123 -0.039 -0.221 1.00 0.00 C ATOM 932 C ARG B 41 -6.374 -0.633 -1.410 1.00 0.00 C ATOM 933 O ARG B 41 -6.963 -0.915 -2.453 1.00 0.00 O ATOM 934 CB ARG B 41 -7.353 1.459 -0.441 1.00 0.00 C ATOM 935 CG ARG B 41 -8.132 2.129 0.680 1.00 0.00 C ATOM 936 CD ARG B 41 -9.557 1.605 0.765 1.00 0.00 C ATOM 937 NE ARG B 41 -10.291 1.813 -0.481 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.433 1.198 -0.776 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.968 0.339 0.081 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.040 1.442 -1.928 1.00 0.00 N ATOM 0 H ARG B 41 -5.828 0.539 1.322 1.00 0.00 H new ATOM 0 HA ARG B 41 -8.091 -0.532 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.388 1.954 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.889 1.601 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.624 1.958 1.629 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.149 3.207 0.518 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.539 0.541 1.002 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.079 2.104 1.581 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.906 2.467 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.504 0.148 0.969 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.844 -0.131 -0.148 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.632 2.102 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.916 0.970 -2.153 1.00 0.00 H new ATOM 954 N ASN B 42 -5.069 -0.819 -1.235 1.00 0.00 N ATOM 955 CA ASN B 42 -4.218 -1.382 -2.277 1.00 0.00 C ATOM 956 C ASN B 42 -2.840 -1.713 -1.709 1.00 0.00 C ATOM 957 O ASN B 42 -1.913 -0.912 -1.817 1.00 0.00 O ATOM 958 CB ASN B 42 -4.087 -0.404 -3.448 1.00 0.00 C ATOM 959 CG ASN B 42 -3.416 -1.031 -4.654 1.00 0.00 C ATOM 960 OD1 ASN B 42 -4.071 -1.661 -5.484 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.103 -0.856 -4.766 1.00 0.00 N ATOM 0 H ASN B 42 -4.575 -0.586 -0.374 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.678 -2.300 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -5.077 -0.047 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.514 0.466 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.602 -1.251 -5.562 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -1.597 -0.327 -4.056 1.00 0.00 H new ATOM 968 N PRO B 43 -2.686 -2.903 -1.099 1.00 0.00 N ATOM 969 CA PRO B 43 -1.414 -3.327 -0.493 1.00 0.00 C ATOM 970 C PRO B 43 -0.298 -3.513 -1.514 1.00 0.00 C ATOM 971 O PRO B 43 0.833 -3.835 -1.150 1.00 0.00 O ATOM 972 CB PRO B 43 -1.759 -4.668 0.159 1.00 0.00 C ATOM 973 CG PRO B 43 -2.939 -5.163 -0.600 1.00 0.00 C ATOM 974 CD PRO B 43 -3.729 -3.936 -0.956 1.00 0.00 C ATOM 0 HA PRO B 43 -1.036 -2.576 0.201 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.925 -5.366 0.094 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.991 -4.546 1.217 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.631 -5.705 -1.494 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.532 -5.851 0.002 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -4.292 -4.072 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.448 -3.679 -0.179 1.00 0.00 H new ATOM 982 N ALA B 44 -0.613 -3.311 -2.790 1.00 0.00 N ATOM 983 CA ALA B 44 0.374 -3.471 -3.851 1.00 0.00 C ATOM 984 C ALA B 44 1.008 -4.855 -3.782 1.00 0.00 C ATOM 985 O ALA B 44 2.129 -5.062 -4.247 1.00 0.00 O ATOM 986 CB ALA B 44 1.445 -2.395 -3.748 1.00 0.00 C ATOM 0 H ALA B 44 -1.541 -3.037 -3.113 1.00 0.00 H new ATOM 0 HA ALA B 44 -0.132 -3.367 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.174 -2.529 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA B 44 0.983 -1.412 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA B 44 1.947 -2.472 -2.783 1.00 0.00 H new ATOM 992 N ALA B 45 0.276 -5.799 -3.197 1.00 0.00 N ATOM 993 CA ALA B 45 0.752 -7.170 -3.051 1.00 0.00 C ATOM 994 C ALA B 45 1.133 -7.773 -4.400 1.00 0.00 C ATOM 995 O ALA B 45 1.782 -8.817 -4.465 1.00 0.00 O ATOM 996 CB ALA B 45 -0.308 -8.023 -2.371 1.00 0.00 C ATOM 0 H ALA B 45 -0.655 -5.637 -2.814 1.00 0.00 H new ATOM 0 HA ALA B 45 1.647 -7.151 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.058 -9.044 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.526 -7.614 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.217 -8.023 -2.973 1.00 0.00 H new ATOM 1002 N SER B 46 0.723 -7.108 -5.476 1.00 0.00 N ATOM 1003 CA SER B 46 1.021 -7.576 -6.824 1.00 0.00 C ATOM 1004 C SER B 46 2.526 -7.627 -7.067 1.00 0.00 C ATOM 1005 O SER B 46 3.004 -8.417 -7.882 1.00 0.00 O ATOM 1006 CB SER B 46 0.357 -6.665 -7.858 1.00 0.00 C ATOM 1007 OG SER B 46 0.631 -7.107 -9.178 1.00 0.00 O ATOM 0 H SER B 46 0.183 -6.243 -5.440 1.00 0.00 H new ATOM 0 HA SER B 46 0.623 -8.586 -6.926 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.720 -6.647 -7.693 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.716 -5.644 -7.731 1.00 0.00 H new ATOM 0 HG SER B 46 0.194 -6.509 -9.820 1.00 0.00 H new ATOM 1013 N VAL B 47 3.272 -6.783 -6.358 1.00 0.00 N ATOM 1014 CA VAL B 47 4.723 -6.741 -6.508 1.00 0.00 C ATOM 1015 C VAL B 47 5.433 -6.782 -5.158 1.00 0.00 C ATOM 1016 O VAL B 47 6.660 -6.887 -5.100 1.00 0.00 O ATOM 1017 CB VAL B 47 5.173 -5.479 -7.266 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.624 -5.480 -8.683 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.745 -4.225 -6.521 1.00 0.00 C ATOM 0 H VAL B 47 2.897 -6.122 -5.677 1.00 0.00 H new ATOM 0 HA VAL B 47 4.997 -7.626 -7.082 1.00 0.00 H new ATOM 0 HB VAL B 47 6.261 -5.484 -7.324 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.954 -4.580 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.989 -6.359 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.535 -5.502 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.073 -3.344 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.659 -4.211 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.196 -4.220 -5.529 1.00 0.00 H new ATOM 1029 N LEU B 48 4.668 -6.699 -4.077 1.00 0.00 N ATOM 1030 CA LEU B 48 5.243 -6.726 -2.736 1.00 0.00 C ATOM 1031 C LEU B 48 4.809 -7.974 -1.975 1.00 0.00 C ATOM 1032 O LEU B 48 3.647 -8.376 -2.034 1.00 0.00 O ATOM 1033 CB LEU B 48 4.835 -5.471 -1.961 1.00 0.00 C ATOM 1034 CG LEU B 48 5.019 -4.155 -2.719 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.461 -2.993 -1.911 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.486 -3.925 -3.045 1.00 0.00 C ATOM 0 H LEU B 48 3.652 -6.613 -4.101 1.00 0.00 H new ATOM 0 HA LEU B 48 6.328 -6.749 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.788 -5.564 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.416 -5.426 -1.040 1.00 0.00 H new ATOM 0 HG LEU B 48 4.467 -4.218 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU B 48 4.600 -2.065 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.398 -3.152 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU B 48 4.985 -2.928 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 48 6.596 -2.984 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.062 -3.883 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.854 -4.743 -3.664 1.00 0.00 H new ATOM 1048 N LYS B 49 5.752 -8.585 -1.261 1.00 0.00 N ATOM 1049 CA LYS B 49 5.469 -9.788 -0.489 1.00 0.00 C ATOM 1050 C LYS B 49 5.285 -9.455 0.989 1.00 0.00 C ATOM 1051 O LYS B 49 5.945 -8.561 1.520 1.00 0.00 O ATOM 1052 CB LYS B 49 6.600 -10.806 -0.658 1.00 0.00 C ATOM 1053 CG LYS B 49 6.360 -12.112 0.078 1.00 0.00 C ATOM 1054 CD LYS B 49 7.565 -13.033 -0.023 1.00 0.00 C ATOM 1055 CE LYS B 49 8.733 -12.520 0.806 1.00 0.00 C ATOM 1056 NZ LYS B 49 9.919 -13.414 0.705 1.00 0.00 N ATOM 0 H LYS B 49 6.719 -8.265 -1.202 1.00 0.00 H new ATOM 0 HA LYS B 49 4.541 -10.221 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.732 -11.016 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.531 -10.364 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.144 -11.907 1.126 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.483 -12.610 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.289 -14.032 0.315 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.869 -13.122 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.004 -11.518 0.472 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.429 -12.436 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 10.693 -13.030 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 9.668 -14.363 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 10.225 -13.474 -0.287 1.00 0.00 H new ATOM 1070 N ARG B 50 4.384 -10.177 1.644 1.00 0.00 N ATOM 1071 CA ARG B 50 4.113 -9.960 3.062 1.00 0.00 C ATOM 1072 C ARG B 50 4.764 -11.045 3.913 1.00 0.00 C ATOM 1073 O ARG B 50 4.639 -12.235 3.621 1.00 0.00 O ATOM 1074 CB ARG B 50 2.604 -9.934 3.315 1.00 0.00 C ATOM 1075 CG ARG B 50 1.879 -8.832 2.559 1.00 0.00 C ATOM 1076 CD ARG B 50 0.383 -8.863 2.825 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.221 -10.126 2.407 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.520 -10.390 2.502 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.351 -9.483 3.001 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -1.992 -11.562 2.100 1.00 0.00 N ATOM 0 H ARG B 50 3.828 -10.918 1.217 1.00 0.00 H new ATOM 0 HA ARG B 50 4.539 -8.998 3.345 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.180 -10.897 3.032 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.425 -9.809 4.383 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.282 -7.863 2.853 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.062 -8.942 1.490 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.201 -8.708 3.888 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.096 -8.039 2.296 1.00 0.00 H new ATOM 0 HE ARG B 50 0.389 -10.846 2.020 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.993 -8.580 3.313 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.347 -9.689 3.072 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.358 -12.263 1.717 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.989 -11.763 2.174 1.00 0.00 H new ATOM 1349 N GLU B 71 0.705 1.599 18.045 1.00 0.00 N ATOM 1350 CA GLU B 71 1.245 2.051 16.768 1.00 0.00 C ATOM 1351 C GLU B 71 1.195 0.939 15.727 1.00 0.00 C ATOM 1352 O GLU B 71 1.819 -0.109 15.894 1.00 0.00 O ATOM 1353 CB GLU B 71 2.687 2.535 16.942 1.00 0.00 C ATOM 1354 CG GLU B 71 2.802 3.852 17.691 1.00 0.00 C ATOM 1355 CD GLU B 71 4.240 4.295 17.870 1.00 0.00 C ATOM 1356 OE1 GLU B 71 4.932 3.725 18.741 1.00 0.00 O ATOM 1357 OE2 GLU B 71 4.675 5.211 17.141 1.00 0.00 O ATOM 0 HA GLU B 71 0.629 2.879 16.418 1.00 0.00 H new ATOM 0 HB2 GLU B 71 3.255 1.773 17.475 1.00 0.00 H new ATOM 0 HB3 GLU B 71 3.145 2.645 15.959 1.00 0.00 H new ATOM 0 HG2 GLU B 71 2.253 4.623 17.150 1.00 0.00 H new ATOM 0 HG3 GLU B 71 2.332 3.752 18.669 1.00 0.00 H new ATOM 1364 N SER B 72 0.446 1.172 14.654 1.00 0.00 N ATOM 1365 CA SER B 72 0.320 0.190 13.582 1.00 0.00 C ATOM 1366 C SER B 72 1.665 -0.025 12.898 1.00 0.00 C ATOM 1367 O SER B 72 2.105 0.801 12.098 1.00 0.00 O ATOM 1368 CB SER B 72 -0.725 0.645 12.563 1.00 0.00 C ATOM 1369 OG SER B 72 -0.372 1.894 11.990 1.00 0.00 O ATOM 0 H SER B 72 -0.083 2.031 14.503 1.00 0.00 H new ATOM 0 HA SER B 72 -0.005 -0.756 14.016 1.00 0.00 H new ATOM 0 HB2 SER B 72 -0.821 -0.104 11.777 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.698 0.726 13.047 1.00 0.00 H new ATOM 0 HG SER B 72 0.315 2.324 12.541 1.00 0.00 H new ATOM 1375 N THR B 73 2.315 -1.139 13.218 1.00 0.00 N ATOM 1376 CA THR B 73 3.616 -1.455 12.642 1.00 0.00 C ATOM 1377 C THR B 73 3.479 -2.301 11.380 1.00 0.00 C ATOM 1378 O THR B 73 3.322 -3.519 11.451 1.00 0.00 O ATOM 1379 CB THR B 73 4.509 -2.199 13.651 1.00 0.00 C ATOM 1380 OG1 THR B 73 4.638 -1.428 14.853 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.889 -2.461 13.065 1.00 0.00 C ATOM 0 H THR B 73 1.962 -1.837 13.873 1.00 0.00 H new ATOM 0 HA THR B 73 4.082 -0.504 12.383 1.00 0.00 H new ATOM 0 HB THR B 73 4.040 -3.156 13.879 1.00 0.00 H new ATOM 0 HG1 THR B 73 5.206 -1.909 15.491 1.00 0.00 H new ATOM 0 HG21 THR B 73 6.501 -2.988 13.797 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.793 -3.071 12.166 1.00 0.00 H new ATOM 0 HG23 THR B 73 6.363 -1.513 12.811 1.00 0.00 H new ATOM 1389 N TRP B 74 3.536 -1.644 10.227 1.00 0.00 N ATOM 1390 CA TRP B 74 3.437 -2.333 8.945 1.00 0.00 C ATOM 1391 C TRP B 74 4.826 -2.535 8.353 1.00 0.00 C ATOM 1392 O TRP B 74 5.494 -1.572 7.975 1.00 0.00 O ATOM 1393 CB TRP B 74 2.567 -1.536 7.971 1.00 0.00 C ATOM 1394 CG TRP B 74 1.174 -1.295 8.468 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.707 -0.174 9.088 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.067 -2.201 8.385 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.624 -0.324 9.396 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.040 -1.559 8.976 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.098 -3.489 7.870 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.292 -2.163 9.061 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.341 -4.087 7.957 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -2.424 -3.426 8.548 1.00 0.00 C ATOM 0 H TRP B 74 3.650 -0.633 10.154 1.00 0.00 H new ATOM 0 HA TRP B 74 2.973 -3.305 9.110 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.044 -0.576 7.773 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.518 -2.069 7.022 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.297 0.704 9.305 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.207 0.371 9.862 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.731 -4.008 7.412 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.129 -1.654 9.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -1.479 -5.083 7.562 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -3.382 -3.921 8.601 1.00 0.00 H new ATOM 1413 N ARG B 75 5.263 -3.790 8.278 1.00 0.00 N ATOM 1414 CA ARG B 75 6.583 -4.104 7.743 1.00 0.00 C ATOM 1415 C ARG B 75 6.535 -5.266 6.758 1.00 0.00 C ATOM 1416 O ARG B 75 6.414 -6.426 7.156 1.00 0.00 O ATOM 1417 CB ARG B 75 7.546 -4.433 8.882 1.00 0.00 C ATOM 1418 CG ARG B 75 7.744 -3.288 9.858 1.00 0.00 C ATOM 1419 CD ARG B 75 8.886 -3.570 10.816 1.00 0.00 C ATOM 1420 NE ARG B 75 8.632 -4.744 11.645 1.00 0.00 N ATOM 1421 CZ ARG B 75 9.546 -5.307 12.428 1.00 0.00 C ATOM 1422 NH1 ARG B 75 10.772 -4.807 12.487 1.00 0.00 N ATOM 1423 NH2 ARG B 75 9.235 -6.374 13.151 1.00 0.00 N ATOM 0 H ARG B 75 4.724 -4.602 8.580 1.00 0.00 H new ATOM 0 HA ARG B 75 6.936 -3.224 7.205 1.00 0.00 H new ATOM 0 HB2 ARG B 75 7.172 -5.301 9.424 1.00 0.00 H new ATOM 0 HB3 ARG B 75 8.512 -4.712 8.461 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.947 -2.369 9.308 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.825 -3.125 10.422 1.00 0.00 H new ATOM 0 HD2 ARG B 75 9.805 -3.719 10.249 1.00 0.00 H new ATOM 0 HD3 ARG B 75 9.044 -2.702 11.456 1.00 0.00 H new ATOM 0 HE ARG B 75 7.699 -5.156 11.622 1.00 0.00 H new ATOM 0 HH11 ARG B 75 11.016 -3.988 11.930 1.00 0.00 H new ATOM 0 HH12 ARG B 75 11.471 -5.241 13.089 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.293 -6.763 13.106 1.00 0.00 H new ATOM 0 HH22 ARG B 75 9.937 -6.805 13.752 1.00 0.00 H new ATOM 1437 N PHE B 76 6.625 -4.949 5.469 1.00 0.00 N ATOM 1438 CA PHE B 76 6.614 -5.970 4.428 1.00 0.00 C ATOM 1439 C PHE B 76 8.009 -6.120 3.830 1.00 0.00 C ATOM 1440 O PHE B 76 8.974 -5.540 4.331 1.00 0.00 O ATOM 1441 CB PHE B 76 5.623 -5.615 3.313 1.00 0.00 C ATOM 1442 CG PHE B 76 4.256 -5.195 3.786 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.492 -4.333 3.015 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.736 -5.653 4.986 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.237 -3.935 3.432 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.478 -5.258 5.408 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.729 -4.396 4.629 1.00 0.00 C ATOM 0 H PHE B 76 6.706 -3.993 5.122 1.00 0.00 H new ATOM 0 HA PHE B 76 6.303 -6.909 4.885 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.047 -4.809 2.714 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.514 -6.478 2.656 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.883 -3.968 2.077 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.318 -6.325 5.599 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.653 -3.263 2.821 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.082 -5.623 6.344 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.748 -4.084 4.957 1.00 0.00 H new ATOM 1457 N ARG B 77 8.109 -6.907 2.763 1.00 0.00 N ATOM 1458 CA ARG B 77 9.380 -7.123 2.087 1.00 0.00 C ATOM 1459 C ARG B 77 9.157 -7.271 0.583 1.00 0.00 C ATOM 1460 O ARG B 77 8.311 -8.054 0.150 1.00 0.00 O ATOM 1461 CB ARG B 77 10.074 -8.366 2.646 1.00 0.00 C ATOM 1462 CG ARG B 77 11.578 -8.370 2.436 1.00 0.00 C ATOM 1463 CD ARG B 77 11.946 -8.801 1.029 1.00 0.00 C ATOM 1464 NE ARG B 77 13.385 -9.000 0.878 1.00 0.00 N ATOM 1465 CZ ARG B 77 13.927 -9.769 -0.062 1.00 0.00 C ATOM 1466 NH1 ARG B 77 13.155 -10.404 -0.934 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.245 -9.902 -0.134 1.00 0.00 N ATOM 0 H ARG B 77 7.322 -7.406 2.348 1.00 0.00 H new ATOM 0 HA ARG B 77 10.021 -6.259 2.262 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.865 -8.440 3.713 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.648 -9.252 2.176 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.975 -7.373 2.627 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.044 -9.042 3.156 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.424 -9.726 0.785 1.00 0.00 H new ATOM 0 HD3 ARG B 77 11.607 -8.047 0.318 1.00 0.00 H new ATOM 0 HE ARG B 77 14.009 -8.523 1.529 1.00 0.00 H new ATOM 0 HH11 ARG B 77 12.141 -10.304 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.575 -10.993 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.844 -9.414 0.532 1.00 0.00 H new ATOM 0 HH22 ARG B 77 15.659 -10.492 -0.855 1.00 0.00 H new ATOM 1481 N VAL B 78 9.914 -6.518 -0.210 1.00 0.00 N ATOM 1482 CA VAL B 78 9.775 -6.567 -1.666 1.00 0.00 C ATOM 1483 C VAL B 78 10.450 -7.801 -2.254 1.00 0.00 C ATOM 1484 O VAL B 78 11.497 -8.237 -1.776 1.00 0.00 O ATOM 1485 CB VAL B 78 10.364 -5.312 -2.330 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.074 -5.317 -3.824 1.00 0.00 C ATOM 1487 CG2 VAL B 78 9.811 -4.057 -1.675 1.00 0.00 C ATOM 0 H VAL B 78 10.626 -5.870 0.126 1.00 0.00 H new ATOM 0 HA VAL B 78 8.706 -6.614 -1.872 1.00 0.00 H new ATOM 0 HB VAL B 78 11.445 -5.319 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL B 78 10.497 -4.422 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.520 -6.202 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL B 78 8.996 -5.331 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.238 -3.177 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL B 78 8.726 -4.039 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.072 -4.054 -0.617 1.00 0.00 H new ATOM 1497 N ALA B 79 9.854 -8.351 -3.308 1.00 0.00 N ATOM 1498 CA ALA B 79 10.402 -9.541 -3.950 1.00 0.00 C ATOM 1499 C ALA B 79 9.944 -9.669 -5.401 1.00 0.00 C ATOM 1500 O ALA B 79 10.210 -10.679 -6.053 1.00 0.00 O ATOM 1501 CB ALA B 79 9.999 -10.778 -3.166 1.00 0.00 C ATOM 0 H ALA B 79 8.998 -7.995 -3.733 1.00 0.00 H new ATOM 0 HA ALA B 79 11.488 -9.446 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.410 -11.665 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA B 79 10.385 -10.706 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.912 -10.852 -3.137 1.00 0.00 H new ATOM 1507 N ALA B 80 9.259 -8.649 -5.905 1.00 0.00 N ATOM 1508 CA ALA B 80 8.768 -8.672 -7.279 1.00 0.00 C ATOM 1509 C ALA B 80 9.003 -7.350 -7.996 1.00 0.00 C ATOM 1510 O ALA B 80 9.164 -6.309 -7.362 1.00 0.00 O ATOM 1511 CB ALA B 80 7.287 -9.001 -7.301 1.00 0.00 C ATOM 0 H ALA B 80 9.032 -7.800 -5.387 1.00 0.00 H new ATOM 0 HA ALA B 80 9.329 -9.444 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA B 80 6.933 -9.015 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.125 -9.979 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.738 -8.245 -6.739 1.00 0.00 H new ATOM 1517 N SER B 81 9.019 -7.407 -9.325 1.00 0.00 N ATOM 1518 CA SER B 81 9.208 -6.235 -10.151 1.00 0.00 C ATOM 1519 C SER B 81 7.867 -5.718 -10.656 1.00 0.00 C ATOM 1520 O SER B 81 6.834 -6.358 -10.465 1.00 0.00 O ATOM 1521 CB SER B 81 10.109 -6.580 -11.331 1.00 0.00 C ATOM 1522 OG SER B 81 9.361 -7.133 -12.402 1.00 0.00 O ATOM 0 H SER B 81 8.900 -8.272 -9.853 1.00 0.00 H new ATOM 0 HA SER B 81 9.678 -5.454 -9.553 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.627 -5.683 -11.671 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.873 -7.289 -11.013 1.00 0.00 H new ATOM 0 HG SER B 81 9.962 -7.344 -13.146 1.00 0.00 H new ATOM 1528 N GLY B 82 7.896 -4.564 -11.304 1.00 0.00 N ATOM 1529 CA GLY B 82 6.679 -3.975 -11.829 1.00 0.00 C ATOM 1530 C GLY B 82 6.253 -2.741 -11.062 1.00 0.00 C ATOM 1531 O GLY B 82 6.770 -2.463 -9.980 1.00 0.00 O ATOM 0 H GLY B 82 8.743 -4.022 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.828 -3.714 -12.877 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.878 -4.714 -11.796 1.00 0.00 H new ATOM 1535 N ASP B 83 5.305 -1.996 -11.624 1.00 0.00 N ATOM 1536 CA ASP B 83 4.806 -0.785 -10.991 1.00 0.00 C ATOM 1537 C ASP B 83 3.699 -1.101 -9.992 1.00 0.00 C ATOM 1538 O ASP B 83 3.091 -2.171 -10.041 1.00 0.00 O ATOM 1539 CB ASP B 83 4.286 0.179 -12.054 1.00 0.00 C ATOM 1540 CG ASP B 83 3.343 -0.491 -13.033 1.00 0.00 C ATOM 1541 OD1 ASP B 83 2.123 -0.505 -12.768 1.00 0.00 O ATOM 1542 OD2 ASP B 83 3.826 -1.003 -14.065 1.00 0.00 O ATOM 0 H ASP B 83 4.868 -2.213 -12.520 1.00 0.00 H new ATOM 0 HA ASP B 83 5.630 -0.320 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.771 1.008 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.129 0.603 -12.599 1.00 0.00 H new ATOM 1547 N ASP B 84 3.445 -0.162 -9.090 1.00 0.00 N ATOM 1548 CA ASP B 84 2.409 -0.329 -8.076 1.00 0.00 C ATOM 1549 C ASP B 84 2.187 0.969 -7.310 1.00 0.00 C ATOM 1550 O ASP B 84 2.865 1.968 -7.555 1.00 0.00 O ATOM 1551 CB ASP B 84 2.790 -1.446 -7.104 1.00 0.00 C ATOM 1552 CG ASP B 84 3.980 -1.080 -6.239 1.00 0.00 C ATOM 1553 OD1 ASP B 84 5.114 -1.069 -6.763 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.777 -0.806 -5.037 1.00 0.00 O ATOM 0 H ASP B 84 3.943 0.726 -9.039 1.00 0.00 H new ATOM 0 HA ASP B 84 1.482 -0.598 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.937 -1.674 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP B 84 3.018 -2.351 -7.667 1.00 0.00 H new ATOM 1559 N ARG B 85 1.237 0.950 -6.382 1.00 0.00 N ATOM 1560 CA ARG B 85 0.927 2.128 -5.585 1.00 0.00 C ATOM 1561 C ARG B 85 0.154 1.745 -4.330 1.00 0.00 C ATOM 1562 O ARG B 85 -1.056 1.530 -4.378 1.00 0.00 O ATOM 1563 CB ARG B 85 0.113 3.124 -6.407 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.186 4.415 -5.670 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.002 5.371 -6.524 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.285 6.625 -5.829 1.00 0.00 N ATOM 1567 CZ ARG B 85 -2.092 7.567 -6.305 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.696 7.401 -7.475 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.298 8.678 -5.611 1.00 0.00 N ATOM 0 H ARG B 85 0.669 0.131 -6.164 1.00 0.00 H new ATOM 0 HA ARG B 85 1.867 2.592 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.655 3.355 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.827 2.657 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.729 4.193 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.749 4.894 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.462 5.583 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.940 4.894 -6.806 1.00 0.00 H new ATOM 0 HE ARG B 85 -0.837 6.786 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.541 6.548 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.315 8.127 -7.837 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.837 8.810 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -2.918 9.401 -5.977 1.00 0.00 H new ATOM 1583 N LEU B 86 0.858 1.661 -3.204 1.00 0.00 N ATOM 1584 CA LEU B 86 0.228 1.302 -1.943 1.00 0.00 C ATOM 1585 C LEU B 86 -0.855 2.307 -1.581 1.00 0.00 C ATOM 1586 O LEU B 86 -0.697 3.509 -1.793 1.00 0.00 O ATOM 1587 CB LEU B 86 1.272 1.210 -0.831 1.00 0.00 C ATOM 1588 CG LEU B 86 0.726 0.920 0.569 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.009 -0.420 0.601 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.850 0.933 1.592 1.00 0.00 C ATOM 0 H LEU B 86 1.861 1.836 -3.142 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.239 0.324 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU B 86 1.986 0.429 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.825 2.149 -0.798 1.00 0.00 H new ATOM 0 HG LEU B 86 0.011 1.703 0.822 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -0.371 -0.606 1.606 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -0.822 -0.405 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU B 86 0.705 -1.212 0.324 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.444 0.725 2.582 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.585 0.171 1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.328 1.912 1.595 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.955 1.805 -1.036 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.079 2.657 -0.661 1.00 0.00 C ATOM 1604 C GLU B 87 -3.702 2.215 0.658 1.00 0.00 C ATOM 1605 O GLU B 87 -3.950 1.029 0.875 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.146 2.643 -1.760 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.602 2.939 -3.149 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.695 3.262 -4.147 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.047 4.454 -4.275 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.195 2.326 -4.804 1.00 0.00 O ATOM 0 H GLU B 87 -2.094 0.813 -0.843 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.695 3.669 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.630 1.667 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.914 3.377 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.908 3.778 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.034 2.079 -3.504 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.950 3.182 1.538 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.558 2.910 2.836 1.00 0.00 C ATOM 1619 C LEU B 88 -5.587 3.982 3.175 1.00 0.00 C ATOM 1620 O LEU B 88 -5.677 5.005 2.498 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.496 2.853 3.938 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.620 1.600 3.943 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.461 1.754 2.972 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -2.109 1.312 5.346 1.00 0.00 C ATOM 0 H LEU B 88 -3.738 4.166 1.373 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.053 1.941 2.777 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.851 3.726 3.842 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.995 2.930 4.904 1.00 0.00 H new ATOM 0 HG LEU B 88 -3.227 0.755 3.619 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.849 0.852 2.990 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.848 1.910 1.965 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.853 2.611 3.264 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.487 0.417 5.330 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -1.519 2.158 5.699 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.954 1.155 6.016 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.362 3.741 4.227 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.379 4.695 4.653 1.00 0.00 C ATOM 1638 C VAL B 89 -7.594 4.629 6.160 1.00 0.00 C ATOM 1639 O VAL B 89 -7.286 3.625 6.801 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.719 4.449 3.932 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -9.286 3.085 4.297 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.716 5.554 4.244 1.00 0.00 C ATOM 0 H VAL B 89 -6.306 2.898 4.798 1.00 0.00 H new ATOM 0 HA VAL B 89 -7.016 5.688 4.388 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.532 4.461 2.858 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -10.232 2.933 3.777 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.581 2.307 4.003 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.452 3.036 5.373 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.653 5.356 3.723 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.898 5.587 5.318 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.313 6.512 3.915 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.125 5.711 6.714 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.376 5.794 8.150 1.00 0.00 C ATOM 1654 C TYR B 90 -9.861 5.616 8.458 1.00 0.00 C ATOM 1655 O TYR B 90 -10.660 6.532 8.266 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.887 7.141 8.688 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.827 7.221 10.198 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.397 8.289 10.877 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.196 6.231 10.942 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.341 8.371 12.256 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.136 6.305 12.322 1.00 0.00 C ATOM 1662 CZ TYR B 90 -7.709 7.377 12.972 1.00 0.00 C ATOM 1663 OH TYR B 90 -7.651 7.455 14.344 1.00 0.00 O ATOM 0 H TYR B 90 -8.391 6.545 6.191 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.828 4.989 8.640 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.894 7.342 8.285 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.546 7.927 8.320 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.893 9.069 10.319 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.745 5.391 10.435 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -8.790 9.209 12.769 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.643 5.527 12.887 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.173 6.676 14.696 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.221 4.429 8.939 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.605 4.126 9.277 1.00 0.00 C ATOM 1675 C ARG B 91 -11.707 2.791 10.010 1.00 0.00 C ATOM 1676 O ARG B 91 -10.722 2.064 10.133 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.468 4.094 8.015 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.014 3.066 6.991 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.903 3.076 5.759 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.481 2.087 4.771 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.111 1.883 3.617 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.184 2.596 3.306 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.666 0.962 2.772 1.00 0.00 N ATOM 0 H ARG B 91 -9.570 3.661 9.103 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.970 4.913 9.937 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.500 3.883 8.296 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.459 5.082 7.554 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.984 3.272 6.699 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.025 2.073 7.441 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.933 2.877 6.054 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.887 4.068 5.308 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.658 1.521 4.977 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.530 3.305 3.953 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.664 2.436 2.420 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.841 0.410 3.007 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.149 0.806 1.887 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.904 2.477 10.493 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.136 1.231 11.212 1.00 0.00 C ATOM 1699 C ARG B 92 -13.033 0.036 10.260 1.00 0.00 C ATOM 1700 O ARG B 92 -13.544 0.083 9.141 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.500 1.277 11.901 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.601 2.400 12.925 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.036 2.646 13.361 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.137 3.745 14.316 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.292 4.255 14.736 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.439 3.765 14.287 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.300 5.255 15.606 1.00 0.00 N ATOM 0 H ARG B 92 -13.729 3.069 10.399 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.369 1.110 11.977 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.279 1.405 11.149 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.686 0.323 12.394 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.995 2.152 13.796 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.189 3.316 12.501 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.647 2.868 12.486 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.439 1.738 13.809 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.273 4.145 14.682 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.438 2.995 13.618 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.323 4.158 14.611 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.420 5.635 15.955 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.186 5.645 15.927 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.367 -1.053 10.693 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.155 -2.247 9.870 1.00 0.00 C ATOM 1723 C PRO B 93 -13.330 -3.225 9.836 1.00 0.00 C ATOM 1724 O PRO B 93 -13.123 -4.422 9.632 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.939 -2.923 10.527 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.563 -2.073 11.703 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.756 -1.220 12.013 1.00 0.00 C ATOM 0 HA PRO B 93 -12.022 -1.962 8.826 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.183 -3.937 10.844 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.110 -3.000 9.823 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.296 -2.692 12.559 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.694 -1.456 11.473 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.432 -1.706 12.716 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.470 -0.265 12.453 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.556 -2.743 10.027 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.708 -3.624 9.985 1.00 0.00 C ATOM 1737 C TRP B 94 -16.755 -3.045 9.044 1.00 0.00 C ATOM 1738 O TRP B 94 -17.716 -3.715 8.665 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.282 -3.810 11.392 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.554 -2.518 12.093 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -15.851 -1.964 13.122 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -17.612 -1.614 11.801 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.419 -0.765 13.483 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -17.506 -0.532 12.685 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -18.639 -1.627 10.872 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -18.400 0.532 12.662 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -19.523 -0.575 10.842 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -19.401 0.496 11.733 1.00 0.00 C ATOM 0 H TRP B 94 -14.770 -1.763 10.209 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.404 -4.602 9.612 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.207 -4.382 11.327 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.584 -4.399 11.987 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -14.979 -2.402 13.584 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -16.085 -0.150 14.225 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -18.744 -2.451 10.182 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -18.307 1.357 13.353 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -20.325 -0.575 10.119 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -20.111 1.309 11.686 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.545 -1.784 8.673 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.452 -1.074 7.781 1.00 0.00 C ATOM 1761 C GLU B 95 -17.360 -1.617 6.359 1.00 0.00 C ATOM 1762 O GLU B 95 -16.437 -2.359 6.026 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.120 0.422 7.790 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.020 1.020 9.185 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.526 2.452 9.170 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -15.295 2.656 9.124 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -17.371 3.372 9.203 1.00 0.00 O ATOM 0 H GLU B 95 -15.746 -1.230 8.981 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.471 -1.224 8.137 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.175 0.578 7.269 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.886 0.958 7.229 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.998 0.982 9.664 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.346 0.413 9.789 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.325 -1.240 5.527 1.00 0.00 N ATOM 1775 CA LYS B 96 -18.356 -1.686 4.137 1.00 0.00 C ATOM 1776 C LYS B 96 -18.135 -0.509 3.192 1.00 0.00 C ATOM 1777 O LYS B 96 -17.421 -0.624 2.194 1.00 0.00 O ATOM 1778 CB LYS B 96 -19.691 -2.365 3.825 1.00 0.00 C ATOM 1779 CG LYS B 96 -19.787 -2.906 2.407 1.00 0.00 C ATOM 1780 CD LYS B 96 -18.782 -4.023 2.164 1.00 0.00 C ATOM 1781 CE LYS B 96 -18.899 -4.579 0.755 1.00 0.00 C ATOM 1782 NZ LYS B 96 -20.252 -5.138 0.487 1.00 0.00 N ATOM 0 H LYS B 96 -19.096 -0.627 5.790 1.00 0.00 H new ATOM 0 HA LYS B 96 -17.552 -2.407 3.991 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.845 -3.184 4.528 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -20.498 -1.651 3.987 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -20.796 -3.278 2.226 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.613 -2.098 1.696 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.772 -3.647 2.325 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.943 -4.823 2.887 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -18.684 -3.790 0.035 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -18.150 -5.357 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -20.221 -5.726 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -20.553 -5.720 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -20.928 -4.360 0.349 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.755 0.622 3.515 1.00 0.00 N ATOM 1797 CA ASP B 97 -18.629 1.827 2.700 1.00 0.00 C ATOM 1798 C ASP B 97 -19.170 3.043 3.446 1.00 0.00 C ATOM 1799 O ASP B 97 -20.382 3.234 3.552 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.370 1.651 1.372 1.00 0.00 C ATOM 1801 CG ASP B 97 -20.815 1.233 1.562 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -21.702 2.110 1.500 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -21.061 0.025 1.773 1.00 0.00 O ATOM 0 H ASP B 97 -19.350 0.730 4.336 1.00 0.00 H new ATOM 0 HA ASP B 97 -17.571 1.991 2.495 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.337 2.587 0.815 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.855 0.903 0.769 1.00 0.00 H new ATOM 1808 N ALA B 98 -18.262 3.861 3.970 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.647 5.056 4.710 1.00 0.00 C ATOM 1810 C ALA B 98 -17.737 6.233 4.372 1.00 0.00 C ATOM 1811 O ALA B 98 -17.007 6.201 3.382 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.621 4.779 6.204 1.00 0.00 C ATOM 0 H ALA B 98 -17.255 3.717 3.895 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.662 5.323 4.416 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.910 5.679 6.746 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.319 3.975 6.437 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.615 4.484 6.502 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.790 7.270 5.201 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.972 8.461 4.998 1.00 0.00 C ATOM 1820 C GLU B 99 -15.825 8.510 6.008 1.00 0.00 C ATOM 1821 O GLU B 99 -15.995 9.000 7.125 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.828 9.722 5.121 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.963 9.787 4.116 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.864 10.987 4.330 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -20.845 10.865 5.094 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.589 12.051 3.734 1.00 0.00 O ATOM 0 H GLU B 99 -18.393 7.310 6.023 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.550 8.415 3.994 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.242 9.773 6.128 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.191 10.597 4.994 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.549 9.823 3.108 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.556 8.875 4.184 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.642 7.993 5.631 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.470 7.977 6.513 1.00 0.00 C ATOM 1835 C PRO B 100 -12.905 9.373 6.751 1.00 0.00 C ATOM 1836 O PRO B 100 -13.283 10.332 6.078 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.461 7.114 5.752 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.858 7.234 4.323 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.355 7.379 4.320 1.00 0.00 C ATOM 0 HA PRO B 100 -13.713 7.595 7.505 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.441 7.466 5.910 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -12.496 6.077 6.086 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.381 8.096 3.857 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.550 6.355 3.757 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.696 8.009 3.498 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.852 6.415 4.210 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.997 9.481 7.717 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.379 10.760 8.050 1.00 0.00 C ATOM 1849 C ALA B 101 -10.091 10.972 7.261 1.00 0.00 C ATOM 1850 O ALA B 101 -10.056 11.753 6.310 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.106 10.840 9.544 1.00 0.00 C ATOM 0 H ALA B 101 -11.673 8.697 8.283 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.074 11.553 7.776 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.645 11.799 9.779 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.044 10.745 10.091 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.433 10.033 9.835 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.033 10.271 7.662 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.744 10.385 6.994 1.00 0.00 C ATOM 1859 C GLU B 102 -7.611 9.370 5.867 1.00 0.00 C ATOM 1860 O GLU B 102 -8.540 8.613 5.582 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.607 10.187 7.997 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.204 11.457 8.720 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.127 11.220 9.760 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -5.477 10.957 10.929 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.932 11.301 9.405 1.00 0.00 O ATOM 0 H GLU B 102 -9.045 9.619 8.446 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.682 11.385 6.566 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.909 9.441 8.732 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.739 9.786 7.474 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.847 12.187 7.993 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.081 11.890 9.202 1.00 0.00 H new ATOM 1872 N SER B 103 -6.444 9.364 5.236 1.00 0.00 N ATOM 1873 CA SER B 103 -6.163 8.449 4.135 1.00 0.00 C ATOM 1874 C SER B 103 -4.660 8.334 3.904 1.00 0.00 C ATOM 1875 O SER B 103 -3.867 8.961 4.606 1.00 0.00 O ATOM 1876 CB SER B 103 -6.853 8.924 2.855 1.00 0.00 C ATOM 1877 OG SER B 103 -8.257 9.000 3.025 1.00 0.00 O ATOM 0 H SER B 103 -5.671 9.987 5.469 1.00 0.00 H new ATOM 0 HA SER B 103 -6.553 7.466 4.401 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.465 9.903 2.572 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.620 8.241 2.039 1.00 0.00 H new ATOM 0 HG SER B 103 -8.512 8.535 3.849 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.274 7.531 2.917 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.864 7.341 2.599 1.00 0.00 C ATOM 1885 C PHE B 104 -2.694 6.807 1.179 1.00 0.00 C ATOM 1886 O PHE B 104 -3.552 6.084 0.672 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.220 6.377 3.597 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.718 6.411 3.588 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.001 5.664 2.668 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.025 7.191 4.500 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.383 5.696 2.658 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.356 7.225 4.494 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.062 6.478 3.572 1.00 0.00 C ATOM 0 H PHE B 104 -4.916 7.003 2.326 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.368 8.309 2.667 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.574 6.617 4.600 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.553 5.363 3.375 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.524 5.050 1.951 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.571 7.779 5.223 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.932 5.110 1.936 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.884 7.836 5.211 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.142 6.505 3.565 1.00 0.00 H new ATOM 1903 N SER B 105 -1.582 7.167 0.543 1.00 0.00 N ATOM 1904 CA SER B 105 -1.301 6.722 -0.816 1.00 0.00 C ATOM 1905 C SER B 105 0.170 6.930 -1.171 1.00 0.00 C ATOM 1906 O SER B 105 0.614 8.059 -1.371 1.00 0.00 O ATOM 1907 CB SER B 105 -2.190 7.466 -1.815 1.00 0.00 C ATOM 1908 OG SER B 105 -1.925 7.047 -3.143 1.00 0.00 O ATOM 0 H SER B 105 -0.862 7.765 0.948 1.00 0.00 H new ATOM 0 HA SER B 105 -1.519 5.655 -0.870 1.00 0.00 H new ATOM 0 HB2 SER B 105 -3.239 7.288 -1.576 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.021 8.539 -1.728 1.00 0.00 H new ATOM 0 HG SER B 105 -2.768 6.974 -3.637 1.00 0.00 H new ATOM 1914 N CYS B 106 0.917 5.833 -1.244 1.00 0.00 N ATOM 1915 CA CYS B 106 2.336 5.894 -1.578 1.00 0.00 C ATOM 1916 C CYS B 106 2.620 5.176 -2.893 1.00 0.00 C ATOM 1917 O CYS B 106 2.165 4.051 -3.110 1.00 0.00 O ATOM 1918 CB CYS B 106 3.174 5.278 -0.454 1.00 0.00 C ATOM 1919 SG CYS B 106 4.220 6.468 0.452 1.00 0.00 S ATOM 0 H CYS B 106 0.564 4.891 -1.076 1.00 0.00 H new ATOM 0 HA CYS B 106 2.610 6.943 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.505 4.789 0.254 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.812 4.502 -0.877 1.00 0.00 H new ATOM 1924 N ALA B 107 3.378 5.834 -3.767 1.00 0.00 N ATOM 1925 CA ALA B 107 3.722 5.261 -5.066 1.00 0.00 C ATOM 1926 C ALA B 107 5.013 4.452 -4.995 1.00 0.00 C ATOM 1927 O ALA B 107 5.920 4.777 -4.228 1.00 0.00 O ATOM 1928 CB ALA B 107 3.846 6.361 -6.110 1.00 0.00 C ATOM 0 H ALA B 107 3.765 6.763 -3.600 1.00 0.00 H new ATOM 0 HA ALA B 107 2.919 4.583 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.103 5.921 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.897 6.891 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.627 7.060 -5.811 1.00 0.00 H new ATOM 1934 N ILE B 108 5.087 3.392 -5.799 1.00 0.00 N ATOM 1935 CA ILE B 108 6.267 2.529 -5.835 1.00 0.00 C ATOM 1936 C ILE B 108 6.497 1.987 -7.245 1.00 0.00 C ATOM 1937 O ILE B 108 5.547 1.715 -7.978 1.00 0.00 O ATOM 1938 CB ILE B 108 6.128 1.340 -4.858 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.912 1.842 -3.428 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.361 0.448 -4.930 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.669 0.734 -2.424 1.00 0.00 C ATOM 0 H ILE B 108 4.342 3.110 -6.436 1.00 0.00 H new ATOM 0 HA ILE B 108 7.118 3.138 -5.532 1.00 0.00 H new ATOM 0 HB ILE B 108 5.258 0.752 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.785 2.416 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.062 2.524 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE B 108 7.248 -0.385 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.473 0.063 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.245 1.027 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.525 1.166 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.779 0.174 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.529 0.064 -2.406 1.00 0.00 H new ATOM 1953 N GLN B 109 7.766 1.833 -7.618 1.00 0.00 N ATOM 1954 CA GLN B 109 8.121 1.323 -8.938 1.00 0.00 C ATOM 1955 C GLN B 109 9.378 0.464 -8.862 1.00 0.00 C ATOM 1956 O GLN B 109 10.490 0.985 -8.775 1.00 0.00 O ATOM 1957 CB GLN B 109 8.339 2.484 -9.911 1.00 0.00 C ATOM 1958 CG GLN B 109 8.801 2.049 -11.294 1.00 0.00 C ATOM 1959 CD GLN B 109 7.739 1.274 -12.049 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.662 0.049 -11.949 1.00 0.00 O ATOM 1961 NE2 GLN B 109 6.917 1.984 -12.809 1.00 0.00 N ATOM 0 H GLN B 109 8.565 2.055 -7.024 1.00 0.00 H new ATOM 0 HA GLN B 109 7.299 0.705 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.409 3.043 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.078 3.165 -9.489 1.00 0.00 H new ATOM 0 HG2 GLN B 109 9.082 2.929 -11.872 1.00 0.00 H new ATOM 0 HG3 GLN B 109 9.695 1.432 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN B 109 7.018 2.998 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.183 1.517 -13.341 1.00 0.00 H new ATOM 1970 N VAL B 110 9.203 -0.855 -8.897 1.00 0.00 N ATOM 1971 CA VAL B 110 10.337 -1.767 -8.823 1.00 0.00 C ATOM 1972 C VAL B 110 11.188 -1.684 -10.084 1.00 0.00 C ATOM 1973 O VAL B 110 12.345 -1.266 -10.037 1.00 0.00 O ATOM 1974 CB VAL B 110 9.897 -3.231 -8.622 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.076 -4.059 -8.146 1.00 0.00 C ATOM 1976 CG2 VAL B 110 8.741 -3.329 -7.638 1.00 0.00 C ATOM 0 H VAL B 110 8.294 -1.311 -8.975 1.00 0.00 H new ATOM 0 HA VAL B 110 10.921 -1.456 -7.957 1.00 0.00 H new ATOM 0 HB VAL B 110 9.549 -3.622 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.761 -5.093 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.872 -4.020 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.443 -3.659 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.453 -4.373 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.048 -2.924 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL B 110 7.892 -2.760 -8.017 1.00 0.00 H new ATOM 1986 N ARG B 111 10.608 -2.085 -11.209 1.00 0.00 N ATOM 1987 CA ARG B 111 11.310 -2.067 -12.481 1.00 0.00 C ATOM 1988 C ARG B 111 10.453 -1.428 -13.570 1.00 0.00 C ATOM 1989 O ARG B 111 10.570 -0.201 -13.768 1.00 0.00 O ATOM 1990 CB ARG B 111 11.692 -3.492 -12.881 1.00 0.00 C ATOM 1991 CG ARG B 111 12.620 -4.171 -11.898 1.00 0.00 C ATOM 1992 CD ARG B 111 13.987 -3.533 -11.933 1.00 0.00 C ATOM 1993 NE ARG B 111 14.912 -4.147 -10.986 1.00 0.00 N ATOM 1994 CZ ARG B 111 16.234 -4.016 -11.055 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.783 -3.296 -12.022 1.00 0.00 N ATOM 1996 NH2 ARG B 111 17.008 -4.607 -10.154 1.00 0.00 N ATOM 1997 OXT ARG B 111 9.675 -2.160 -14.215 1.00 0.00 O ATOM 0 H ARG B 111 9.649 -2.428 -11.263 1.00 0.00 H new ATOM 0 HA ARG B 111 12.214 -1.469 -12.367 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.785 -4.087 -12.981 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.169 -3.470 -13.861 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.206 -4.103 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.701 -5.231 -12.138 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.396 -3.613 -12.940 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.895 -2.470 -11.709 1.00 0.00 H new ATOM 0 HE ARG B 111 14.523 -4.708 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.192 -2.840 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.797 -3.198 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG B 111 16.589 -5.162 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.022 -4.506 -10.208 1.00 0.00 H new