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 154:sc= 0.16 USER MOD Set 1.2: B 72 SER OG : rot 180:sc= 0.0591 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.0145 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : B 20 GLN : amide:sc= -1.79! K(o=-1.8!,f=-1.1) USER MOD Single : B 22 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.1!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc=-0.00954 K(o=-0.0095,f=-0.87) USER MOD Single : B 33 THR OG1 : rot 55:sc= 0.733 USER MOD Single : B 34 THR OG1 : rot -64:sc= 0.00744 USER MOD Single : B 42 ASN : amide:sc= -0.905 X(o=-0.9,f=-1.3) 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 128:sc= 0.489 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 163:sc= -0.0599 (180deg=-0.36) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 12.821 0.332 3.686 1.00 0.00 N ATOM 382 CA VAL B 5 12.567 1.745 3.425 1.00 0.00 C ATOM 383 C VAL B 5 11.421 2.256 4.290 1.00 0.00 C ATOM 384 O VAL B 5 10.260 1.921 4.058 1.00 0.00 O ATOM 385 CB VAL B 5 12.233 1.990 1.941 1.00 0.00 C ATOM 386 CG1 VAL B 5 11.913 3.455 1.698 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.382 1.536 1.055 1.00 0.00 C ATOM 0 HA VAL B 5 13.478 2.289 3.674 1.00 0.00 H new ATOM 0 HB VAL B 5 11.351 1.403 1.686 1.00 0.00 H new ATOM 0 HG11 VAL B 5 11.680 3.607 0.644 1.00 0.00 H new ATOM 0 HG12 VAL B 5 11.055 3.746 2.305 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.774 4.066 1.971 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.129 1.716 0.010 1.00 0.00 H new ATOM 0 HG22 VAL B 5 14.282 2.094 1.312 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.560 0.471 1.207 1.00 0.00 H new ATOM 397 N THR B 6 11.753 3.070 5.287 1.00 0.00 N ATOM 398 CA THR B 6 10.758 3.617 6.197 1.00 0.00 C ATOM 399 C THR B 6 10.093 4.864 5.620 1.00 0.00 C ATOM 400 O THR B 6 10.586 5.462 4.664 1.00 0.00 O ATOM 401 CB THR B 6 11.392 3.970 7.555 1.00 0.00 C ATOM 402 OG1 THR B 6 12.283 2.926 7.966 1.00 0.00 O ATOM 403 CG2 THR B 6 10.325 4.170 8.616 1.00 0.00 C ATOM 0 H THR B 6 12.709 3.365 5.484 1.00 0.00 H new ATOM 0 HA THR B 6 10.000 2.847 6.337 1.00 0.00 H new ATOM 0 HB THR B 6 11.947 4.901 7.438 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.683 3.159 8.830 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.798 4.418 9.566 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.663 4.983 8.317 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.747 3.253 8.728 1.00 0.00 H new ATOM 411 N LEU B 7 8.966 5.246 6.215 1.00 0.00 N ATOM 412 CA LEU B 7 8.219 6.422 5.780 1.00 0.00 C ATOM 413 C LEU B 7 7.664 7.176 6.984 1.00 0.00 C ATOM 414 O LEU B 7 7.928 6.811 8.130 1.00 0.00 O ATOM 415 CB LEU B 7 7.076 6.013 4.847 1.00 0.00 C ATOM 416 CG LEU B 7 7.503 5.624 3.430 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.330 5.037 2.663 1.00 0.00 C ATOM 418 CD2 LEU B 7 8.073 6.831 2.697 1.00 0.00 C ATOM 0 H LEU B 7 8.548 4.754 7.005 1.00 0.00 H new ATOM 0 HA LEU B 7 8.899 7.079 5.237 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.546 5.172 5.294 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.367 6.838 4.783 1.00 0.00 H new ATOM 0 HG LEU B 7 8.281 4.864 3.499 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.652 4.766 1.657 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.966 4.149 3.179 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.530 5.775 2.601 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.372 6.538 1.691 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.315 7.612 2.637 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.941 7.209 3.238 1.00 0.00 H new ATOM 430 N ASP B 8 6.894 8.229 6.719 1.00 0.00 N ATOM 431 CA ASP B 8 6.309 9.027 7.791 1.00 0.00 C ATOM 432 C ASP B 8 5.218 9.955 7.260 1.00 0.00 C ATOM 433 O ASP B 8 4.302 10.328 7.993 1.00 0.00 O ATOM 434 CB ASP B 8 7.393 9.848 8.492 1.00 0.00 C ATOM 435 CG ASP B 8 8.105 10.795 7.546 1.00 0.00 C ATOM 436 OD1 ASP B 8 7.645 11.947 7.403 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.122 10.385 6.949 1.00 0.00 O ATOM 0 H ASP B 8 6.662 8.547 5.778 1.00 0.00 H new ATOM 0 HA ASP B 8 5.855 8.342 8.507 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.943 10.420 9.304 1.00 0.00 H new ATOM 0 HB3 ASP B 8 8.121 9.174 8.942 1.00 0.00 H new ATOM 442 N ASP B 9 5.321 10.323 5.988 1.00 0.00 N ATOM 443 CA ASP B 9 4.340 11.209 5.373 1.00 0.00 C ATOM 444 C ASP B 9 4.070 10.806 3.926 1.00 0.00 C ATOM 445 O ASP B 9 4.856 10.079 3.318 1.00 0.00 O ATOM 446 CB ASP B 9 4.827 12.658 5.434 1.00 0.00 C ATOM 447 CG ASP B 9 3.747 13.651 5.055 1.00 0.00 C ATOM 448 OD1 ASP B 9 2.834 13.875 5.873 1.00 0.00 O ATOM 449 OD2 ASP B 9 3.819 14.208 3.939 1.00 0.00 O ATOM 0 H ASP B 9 6.071 10.023 5.365 1.00 0.00 H new ATOM 0 HA ASP B 9 3.407 11.123 5.930 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.180 12.877 6.442 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.679 12.780 4.765 1.00 0.00 H new ATOM 454 N ALA B 10 2.954 11.282 3.381 1.00 0.00 N ATOM 455 CA ALA B 10 2.577 10.969 2.007 1.00 0.00 C ATOM 456 C ALA B 10 3.260 11.903 1.014 1.00 0.00 C ATOM 457 O ALA B 10 3.670 11.479 -0.065 1.00 0.00 O ATOM 458 CB ALA B 10 1.066 11.041 1.850 1.00 0.00 C ATOM 0 H ALA B 10 2.295 11.887 3.871 1.00 0.00 H new ATOM 0 HA ALA B 10 2.910 9.954 1.790 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.796 10.806 0.821 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.596 10.323 2.522 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.722 12.046 2.095 1.00 0.00 H new ATOM 464 N ASP B 11 3.375 13.173 1.385 1.00 0.00 N ATOM 465 CA ASP B 11 4.008 14.168 0.523 1.00 0.00 C ATOM 466 C ASP B 11 5.429 13.748 0.158 1.00 0.00 C ATOM 467 O ASP B 11 5.926 14.077 -0.919 1.00 0.00 O ATOM 468 CB ASP B 11 4.029 15.535 1.211 1.00 0.00 C ATOM 469 CG ASP B 11 4.666 16.606 0.351 1.00 0.00 C ATOM 470 OD1 ASP B 11 5.902 16.777 0.434 1.00 0.00 O ATOM 471 OD2 ASP B 11 3.934 17.275 -0.408 1.00 0.00 O ATOM 0 H ASP B 11 3.039 13.539 2.276 1.00 0.00 H new ATOM 0 HA ASP B 11 3.422 14.240 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.009 15.830 1.457 1.00 0.00 H new ATOM 0 HB3 ASP B 11 4.574 15.457 2.152 1.00 0.00 H new ATOM 476 N ASP B 12 6.076 13.019 1.063 1.00 0.00 N ATOM 477 CA ASP B 12 7.438 12.554 0.833 1.00 0.00 C ATOM 478 C ASP B 12 7.450 11.324 -0.069 1.00 0.00 C ATOM 479 O ASP B 12 8.437 11.054 -0.753 1.00 0.00 O ATOM 480 CB ASP B 12 8.119 12.229 2.164 1.00 0.00 C ATOM 481 CG ASP B 12 8.313 13.460 3.029 1.00 0.00 C ATOM 482 OD1 ASP B 12 7.372 13.821 3.764 1.00 0.00 O ATOM 483 OD2 ASP B 12 9.408 14.060 2.970 1.00 0.00 O ATOM 0 H ASP B 12 5.679 12.739 1.960 1.00 0.00 H new ATOM 0 HA ASP B 12 7.988 13.353 0.335 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.520 11.498 2.707 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.087 11.768 1.971 1.00 0.00 H new ATOM 488 N CYS B 13 6.346 10.583 -0.067 1.00 0.00 N ATOM 489 CA CYS B 13 6.230 9.385 -0.888 1.00 0.00 C ATOM 490 C CYS B 13 6.276 9.734 -2.371 1.00 0.00 C ATOM 491 O CYS B 13 5.569 10.630 -2.833 1.00 0.00 O ATOM 492 CB CYS B 13 4.935 8.638 -0.565 1.00 0.00 C ATOM 493 SG CYS B 13 4.903 7.889 1.095 1.00 0.00 S ATOM 0 H CYS B 13 5.520 10.792 0.494 1.00 0.00 H new ATOM 0 HA CYS B 13 7.077 8.738 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.097 9.329 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.785 7.855 -1.308 1.00 0.00 H new ATOM 498 N SER B 14 7.114 9.017 -3.111 1.00 0.00 N ATOM 499 CA SER B 14 7.265 9.243 -4.543 1.00 0.00 C ATOM 500 C SER B 14 7.577 7.932 -5.259 1.00 0.00 C ATOM 501 O SER B 14 7.993 6.964 -4.625 1.00 0.00 O ATOM 502 CB SER B 14 8.380 10.252 -4.798 1.00 0.00 C ATOM 503 OG SER B 14 8.165 11.449 -4.071 1.00 0.00 O ATOM 0 H SER B 14 7.702 8.271 -2.740 1.00 0.00 H new ATOM 0 HA SER B 14 6.328 9.640 -4.933 1.00 0.00 H new ATOM 0 HB2 SER B 14 9.339 9.818 -4.514 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.435 10.476 -5.863 1.00 0.00 H new ATOM 0 HG SER B 14 8.895 12.077 -4.252 1.00 0.00 H new ATOM 509 N PRO B 15 7.374 7.875 -6.591 1.00 0.00 N ATOM 510 CA PRO B 15 7.650 6.668 -7.375 1.00 0.00 C ATOM 511 C PRO B 15 9.111 6.241 -7.265 1.00 0.00 C ATOM 512 O PRO B 15 9.932 6.566 -8.123 1.00 0.00 O ATOM 513 CB PRO B 15 7.315 7.072 -8.815 1.00 0.00 C ATOM 514 CG PRO B 15 7.305 8.564 -8.810 1.00 0.00 C ATOM 515 CD PRO B 15 6.860 8.967 -7.433 1.00 0.00 C ATOM 0 HA PRO B 15 7.069 5.815 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.056 6.685 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.348 6.673 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO B 15 8.295 8.962 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO B 15 6.627 8.953 -9.569 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.274 9.932 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.775 9.052 -7.367 1.00 0.00 H new ATOM 523 N LEU B 16 9.424 5.521 -6.194 1.00 0.00 N ATOM 524 CA LEU B 16 10.781 5.049 -5.953 1.00 0.00 C ATOM 525 C LEU B 16 11.075 3.787 -6.758 1.00 0.00 C ATOM 526 O LEU B 16 10.159 3.127 -7.251 1.00 0.00 O ATOM 527 CB LEU B 16 10.976 4.779 -4.460 1.00 0.00 C ATOM 528 CG LEU B 16 12.394 4.378 -4.050 1.00 0.00 C ATOM 529 CD1 LEU B 16 13.387 5.453 -4.459 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.464 4.127 -2.551 1.00 0.00 C ATOM 0 H LEU B 16 8.752 5.251 -5.476 1.00 0.00 H new ATOM 0 HA LEU B 16 11.477 5.823 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.694 5.674 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.290 3.988 -4.158 1.00 0.00 H new ATOM 0 HG LEU B 16 12.655 3.453 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU B 16 14.391 5.153 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.354 5.586 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU B 16 13.128 6.392 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.480 3.843 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU B 16 12.184 5.035 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.778 3.323 -2.284 1.00 0.00 H new ATOM 542 N LYS B 17 12.357 3.462 -6.890 1.00 0.00 N ATOM 543 CA LYS B 17 12.775 2.279 -7.630 1.00 0.00 C ATOM 544 C LYS B 17 13.312 1.209 -6.683 1.00 0.00 C ATOM 545 O LYS B 17 14.523 1.073 -6.501 1.00 0.00 O ATOM 546 CB LYS B 17 13.835 2.641 -8.677 1.00 0.00 C ATOM 547 CG LYS B 17 14.974 3.497 -8.136 1.00 0.00 C ATOM 548 CD LYS B 17 14.622 4.976 -8.147 1.00 0.00 C ATOM 549 CE LYS B 17 15.752 5.823 -7.586 1.00 0.00 C ATOM 550 NZ LYS B 17 15.418 7.274 -7.595 1.00 0.00 N ATOM 0 H LYS B 17 13.125 4.003 -6.493 1.00 0.00 H new ATOM 0 HA LYS B 17 11.902 1.878 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.250 1.722 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.353 3.172 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS B 17 15.210 3.187 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS B 17 15.869 3.332 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS B 17 14.402 5.291 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.718 5.140 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS B 17 15.970 5.507 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS B 17 16.656 5.655 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 16.215 7.816 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 15.235 7.582 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 14.570 7.439 -7.015 1.00 0.00 H new ATOM 564 N LEU B 18 12.400 0.458 -6.075 1.00 0.00 N ATOM 565 CA LEU B 18 12.770 -0.599 -5.144 1.00 0.00 C ATOM 566 C LEU B 18 13.386 -1.788 -5.873 1.00 0.00 C ATOM 567 O LEU B 18 13.684 -1.716 -7.065 1.00 0.00 O ATOM 568 CB LEU B 18 11.544 -1.060 -4.353 1.00 0.00 C ATOM 569 CG LEU B 18 11.187 -0.204 -3.148 1.00 0.00 C ATOM 570 CD1 LEU B 18 10.846 1.217 -3.573 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.033 -0.826 -2.375 1.00 0.00 C ATOM 0 H LEU B 18 11.395 0.564 -6.212 1.00 0.00 H new ATOM 0 HA LEU B 18 13.514 -0.193 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.687 -1.086 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.714 -2.082 -4.014 1.00 0.00 H new ATOM 0 HG LEU B 18 12.057 -0.160 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.594 1.809 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.704 1.662 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.995 1.199 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.791 -0.200 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.161 -0.904 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.319 -1.820 -2.031 1.00 0.00 H new ATOM 583 N THR B 19 13.572 -2.882 -5.141 1.00 0.00 N ATOM 584 CA THR B 19 14.147 -4.097 -5.702 1.00 0.00 C ATOM 585 C THR B 19 14.063 -5.249 -4.707 1.00 0.00 C ATOM 586 O THR B 19 13.994 -5.030 -3.497 1.00 0.00 O ATOM 587 CB THR B 19 15.619 -3.891 -6.111 1.00 0.00 C ATOM 588 OG1 THR B 19 16.163 -5.114 -6.619 1.00 0.00 O ATOM 589 CG2 THR B 19 16.449 -3.414 -4.928 1.00 0.00 C ATOM 0 H THR B 19 13.331 -2.950 -4.152 1.00 0.00 H new ATOM 0 HA THR B 19 13.566 -4.341 -6.591 1.00 0.00 H new ATOM 0 HB THR B 19 15.652 -3.128 -6.889 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.098 -4.974 -6.878 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.484 -3.276 -5.242 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.051 -2.467 -4.563 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.407 -4.157 -4.131 1.00 0.00 H new ATOM 597 N GLN B 20 14.060 -6.473 -5.225 1.00 0.00 N ATOM 598 CA GLN B 20 13.984 -7.660 -4.381 1.00 0.00 C ATOM 599 C GLN B 20 15.092 -7.649 -3.333 1.00 0.00 C ATOM 600 O GLN B 20 16.257 -7.901 -3.641 1.00 0.00 O ATOM 601 CB GLN B 20 14.082 -8.924 -5.237 1.00 0.00 C ATOM 602 CG GLN B 20 12.939 -9.074 -6.229 1.00 0.00 C ATOM 603 CD GLN B 20 13.174 -10.194 -7.224 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.314 -10.520 -7.552 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.092 -10.786 -7.717 1.00 0.00 N ATOM 0 H GLN B 20 14.109 -6.669 -6.225 1.00 0.00 H new ATOM 0 HA GLN B 20 13.023 -7.654 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.026 -8.912 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.102 -9.796 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.014 -9.264 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.805 -8.136 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.165 -10.485 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.188 -11.542 -8.395 1.00 0.00 H new ATOM 614 N GLY B 21 14.719 -7.355 -2.091 1.00 0.00 N ATOM 615 CA GLY B 21 15.689 -7.310 -1.012 1.00 0.00 C ATOM 616 C GLY B 21 15.413 -6.183 -0.036 1.00 0.00 C ATOM 617 O GLY B 21 15.943 -6.171 1.075 1.00 0.00 O ATOM 0 H GLY B 21 13.760 -7.147 -1.812 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.680 -8.260 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.688 -7.189 -1.430 1.00 0.00 H new ATOM 621 N GLN B 22 14.584 -5.234 -0.455 1.00 0.00 N ATOM 622 CA GLN B 22 14.229 -4.098 0.380 1.00 0.00 C ATOM 623 C GLN B 22 12.864 -4.313 1.017 1.00 0.00 C ATOM 624 O GLN B 22 12.109 -5.195 0.603 1.00 0.00 O ATOM 625 CB GLN B 22 14.221 -2.816 -0.449 1.00 0.00 C ATOM 626 CG GLN B 22 15.582 -2.454 -1.021 1.00 0.00 C ATOM 627 CD GLN B 22 15.538 -1.212 -1.888 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.325 -1.066 -2.820 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.614 -0.308 -1.582 1.00 0.00 N ATOM 0 H GLN B 22 14.144 -5.231 -1.375 1.00 0.00 H new ATOM 0 HA GLN B 22 14.974 -4.004 1.170 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.510 -2.927 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN B 22 13.867 -1.993 0.172 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.286 -2.297 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.959 -3.290 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.981 -0.471 -0.799 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.538 0.549 -2.130 1.00 0.00 H new ATOM 638 N GLU B 23 12.551 -3.503 2.016 1.00 0.00 N ATOM 639 CA GLU B 23 11.262 -3.623 2.703 1.00 0.00 C ATOM 640 C GLU B 23 10.684 -2.261 3.065 1.00 0.00 C ATOM 641 O GLU B 23 11.073 -1.238 2.501 1.00 0.00 O ATOM 642 CB GLU B 23 11.400 -4.471 3.970 1.00 0.00 C ATOM 643 CG GLU B 23 11.839 -5.901 3.706 1.00 0.00 C ATOM 644 CD GLU B 23 12.013 -6.702 4.981 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.034 -7.346 5.414 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.125 -6.686 5.547 1.00 0.00 O ATOM 0 H GLU B 23 13.158 -2.763 2.370 1.00 0.00 H new ATOM 0 HA GLU B 23 10.577 -4.113 2.011 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.120 -3.997 4.637 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.444 -4.485 4.493 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.102 -6.392 3.071 1.00 0.00 H new ATOM 0 HG3 GLU B 23 12.780 -5.893 3.155 1.00 0.00 H new ATOM 653 N LEU B 24 9.744 -2.263 4.007 1.00 0.00 N ATOM 654 CA LEU B 24 9.105 -1.033 4.458 1.00 0.00 C ATOM 655 C LEU B 24 8.458 -1.215 5.834 1.00 0.00 C ATOM 656 O LEU B 24 8.043 -2.314 6.198 1.00 0.00 O ATOM 657 CB LEU B 24 8.048 -0.589 3.444 1.00 0.00 C ATOM 658 CG LEU B 24 6.954 0.322 4.005 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.378 1.780 3.943 1.00 0.00 C ATOM 660 CD2 LEU B 24 5.646 0.108 3.261 1.00 0.00 C ATOM 0 H LEU B 24 9.408 -3.106 4.473 1.00 0.00 H new ATOM 0 HA LEU B 24 9.875 -0.266 4.542 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.547 -0.070 2.626 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.578 -1.476 3.020 1.00 0.00 H new ATOM 0 HG LEU B 24 6.798 0.061 5.052 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.584 2.407 4.347 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.286 1.920 4.530 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.569 2.060 2.907 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.881 0.765 3.674 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.787 0.335 2.204 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.331 -0.930 3.370 1.00 0.00 H new ATOM 672 N VAL B 25 8.381 -0.120 6.587 1.00 0.00 N ATOM 673 CA VAL B 25 7.768 -0.128 7.912 1.00 0.00 C ATOM 674 C VAL B 25 6.982 1.157 8.148 1.00 0.00 C ATOM 675 O VAL B 25 7.521 2.143 8.654 1.00 0.00 O ATOM 676 CB VAL B 25 8.812 -0.291 9.033 1.00 0.00 C ATOM 677 CG1 VAL B 25 9.141 -1.760 9.250 1.00 0.00 C ATOM 678 CG2 VAL B 25 10.065 0.515 8.728 1.00 0.00 C ATOM 0 H VAL B 25 8.739 0.791 6.299 1.00 0.00 H new ATOM 0 HA VAL B 25 7.096 -0.986 7.941 1.00 0.00 H new ATOM 0 HB VAL B 25 8.385 0.097 9.958 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.880 -1.854 10.046 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.236 -2.298 9.531 1.00 0.00 H new ATOM 0 HG13 VAL B 25 9.543 -2.183 8.329 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.787 0.384 9.534 1.00 0.00 H new ATOM 0 HG22 VAL B 25 10.501 0.169 7.791 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.807 1.570 8.641 1.00 0.00 H new ATOM 688 N LEU B 26 5.709 1.144 7.771 1.00 0.00 N ATOM 689 CA LEU B 26 4.849 2.310 7.933 1.00 0.00 C ATOM 690 C LEU B 26 4.636 2.638 9.406 1.00 0.00 C ATOM 691 O LEU B 26 4.596 1.747 10.253 1.00 0.00 O ATOM 692 CB LEU B 26 3.500 2.076 7.249 1.00 0.00 C ATOM 693 CG LEU B 26 3.560 1.955 5.725 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.203 1.550 5.171 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.026 3.263 5.104 1.00 0.00 C ATOM 0 H LEU B 26 5.249 0.337 7.350 1.00 0.00 H new ATOM 0 HA LEU B 26 5.345 3.159 7.463 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.058 1.166 7.654 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.831 2.897 7.507 1.00 0.00 H new ATOM 0 HG LEU B 26 4.281 1.179 5.467 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.263 1.468 4.086 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.911 0.588 5.592 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.462 2.303 5.438 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.063 3.158 4.020 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.330 4.059 5.368 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.019 3.510 5.478 1.00 0.00 H new ATOM 707 N THR B 27 4.502 3.927 9.701 1.00 0.00 N ATOM 708 CA THR B 27 4.291 4.384 11.068 1.00 0.00 C ATOM 709 C THR B 27 3.324 5.564 11.102 1.00 0.00 C ATOM 710 O THR B 27 3.525 6.559 10.405 1.00 0.00 O ATOM 711 CB THR B 27 5.616 4.795 11.737 1.00 0.00 C ATOM 712 OG1 THR B 27 6.545 3.705 11.694 1.00 0.00 O ATOM 713 CG2 THR B 27 5.391 5.215 13.182 1.00 0.00 C ATOM 0 H THR B 27 4.536 4.675 9.008 1.00 0.00 H new ATOM 0 HA THR B 27 3.864 3.548 11.622 1.00 0.00 H new ATOM 0 HB THR B 27 6.023 5.645 11.188 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.385 3.975 12.120 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.343 5.500 13.630 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.707 6.063 13.212 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.962 4.383 13.740 1.00 0.00 H new ATOM 721 N LEU B 28 2.282 5.448 11.918 1.00 0.00 N ATOM 722 CA LEU B 28 1.286 6.506 12.036 1.00 0.00 C ATOM 723 C LEU B 28 0.672 6.526 13.438 1.00 0.00 C ATOM 724 O LEU B 28 0.811 5.565 14.195 1.00 0.00 O ATOM 725 CB LEU B 28 0.190 6.352 10.961 1.00 0.00 C ATOM 726 CG LEU B 28 -0.441 4.956 10.799 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.547 3.971 10.192 1.00 0.00 C ATOM 728 CD2 LEU B 28 -0.967 4.439 12.127 1.00 0.00 C ATOM 0 H LEU B 28 2.105 4.634 12.506 1.00 0.00 H new ATOM 0 HA LEU B 28 1.789 7.459 11.874 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.608 7.060 11.187 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.614 6.645 10.001 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.283 5.052 10.113 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.072 2.995 10.090 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.859 4.327 9.210 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.419 3.884 10.840 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -1.407 3.452 11.985 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -0.147 4.371 12.842 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -1.725 5.123 12.509 1.00 0.00 H new ATOM 740 N PRO B 29 -0.004 7.630 13.808 1.00 0.00 N ATOM 741 CA PRO B 29 -0.639 7.774 15.115 1.00 0.00 C ATOM 742 C PRO B 29 -2.014 7.120 15.157 1.00 0.00 C ATOM 743 O PRO B 29 -2.913 7.496 14.403 1.00 0.00 O ATOM 744 CB PRO B 29 -0.765 9.297 15.295 1.00 0.00 C ATOM 745 CG PRO B 29 -0.211 9.913 14.044 1.00 0.00 C ATOM 746 CD PRO B 29 -0.202 8.832 13.002 1.00 0.00 C ATOM 0 HA PRO B 29 -0.062 7.289 15.903 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.805 9.587 15.444 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.212 9.633 16.172 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.823 10.756 13.723 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.795 10.296 14.213 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.137 8.798 12.442 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.599 8.972 12.276 1.00 0.00 H new ATOM 754 N SER B 30 -2.173 6.138 16.037 1.00 0.00 N ATOM 755 CA SER B 30 -3.440 5.433 16.170 1.00 0.00 C ATOM 756 C SER B 30 -3.523 4.706 17.508 1.00 0.00 C ATOM 757 O SER B 30 -2.644 4.848 18.357 1.00 0.00 O ATOM 758 CB SER B 30 -3.615 4.434 15.023 1.00 0.00 C ATOM 759 OG SER B 30 -2.574 3.473 15.019 1.00 0.00 O ATOM 0 H SER B 30 -1.440 5.813 16.668 1.00 0.00 H new ATOM 0 HA SER B 30 -4.242 6.170 16.128 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.577 3.931 15.118 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.626 4.966 14.072 1.00 0.00 H new ATOM 0 HG SER B 30 -2.892 2.648 14.597 1.00 0.00 H new ATOM 765 N ASN B 31 -4.585 3.928 17.684 1.00 0.00 N ATOM 766 CA ASN B 31 -4.790 3.177 18.916 1.00 0.00 C ATOM 767 C ASN B 31 -5.112 1.715 18.606 1.00 0.00 C ATOM 768 O ASN B 31 -5.541 1.392 17.498 1.00 0.00 O ATOM 769 CB ASN B 31 -5.924 3.801 19.732 1.00 0.00 C ATOM 770 CG ASN B 31 -5.640 5.243 20.108 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.486 5.636 20.278 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.696 6.038 20.242 1.00 0.00 N ATOM 0 H ASN B 31 -5.319 3.801 16.987 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.870 3.215 19.500 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.850 3.753 19.158 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.080 3.216 20.638 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.568 7.018 20.496 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -7.635 5.669 20.091 1.00 0.00 H new ATOM 779 N PRO B 32 -4.907 0.809 19.581 1.00 0.00 N ATOM 780 CA PRO B 32 -5.184 -0.621 19.402 1.00 0.00 C ATOM 781 C PRO B 32 -6.667 -0.898 19.194 1.00 0.00 C ATOM 782 O PRO B 32 -7.390 -0.058 18.659 1.00 0.00 O ATOM 783 CB PRO B 32 -4.689 -1.249 20.707 1.00 0.00 C ATOM 784 CG PRO B 32 -4.749 -0.140 21.694 1.00 0.00 C ATOM 785 CD PRO B 32 -4.388 1.100 20.930 1.00 0.00 C ATOM 0 HA PRO B 32 -4.696 -1.025 18.515 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -5.319 -2.086 21.010 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -3.675 -1.635 20.603 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.745 -0.056 22.129 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.055 -0.310 22.517 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.850 1.989 21.359 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -3.312 1.272 20.922 1.00 0.00 H new ATOM 793 N THR B 33 -7.114 -2.081 19.609 1.00 0.00 N ATOM 794 CA THR B 33 -8.513 -2.464 19.464 1.00 0.00 C ATOM 795 C THR B 33 -9.437 -1.450 20.134 1.00 0.00 C ATOM 796 O THR B 33 -9.846 -1.628 21.281 1.00 0.00 O ATOM 797 CB THR B 33 -8.779 -3.860 20.059 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.413 -3.882 21.444 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.999 -4.926 19.308 1.00 0.00 C ATOM 0 H THR B 33 -6.526 -2.790 20.048 1.00 0.00 H new ATOM 0 HA THR B 33 -8.723 -2.488 18.395 1.00 0.00 H new ATOM 0 HB THR B 33 -9.843 -4.074 19.961 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.886 -3.167 21.919 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.203 -5.903 19.746 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.301 -4.928 18.261 1.00 0.00 H new ATOM 0 HG23 THR B 33 -6.932 -4.713 19.377 1.00 0.00 H new ATOM 807 N THR B 34 -9.749 -0.381 19.408 1.00 0.00 N ATOM 808 CA THR B 34 -10.621 0.667 19.923 1.00 0.00 C ATOM 809 C THR B 34 -11.856 0.836 19.045 1.00 0.00 C ATOM 810 O THR B 34 -12.983 0.627 19.495 1.00 0.00 O ATOM 811 CB THR B 34 -9.884 2.016 20.017 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.347 2.372 18.739 1.00 0.00 O ATOM 813 CG2 THR B 34 -8.763 1.950 21.043 1.00 0.00 C ATOM 0 H THR B 34 -9.410 -0.218 18.460 1.00 0.00 H new ATOM 0 HA THR B 34 -10.928 0.359 20.922 1.00 0.00 H new ATOM 0 HB THR B 34 -10.600 2.774 20.333 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.665 1.719 18.477 1.00 0.00 H new ATOM 0 HG21 THR B 34 -8.257 2.914 21.092 1.00 0.00 H new ATOM 0 HG22 THR B 34 -9.179 1.709 22.021 1.00 0.00 H new ATOM 0 HG23 THR B 34 -8.049 1.180 20.752 1.00 0.00 H new ATOM 821 N GLY B 35 -11.636 1.215 17.790 1.00 0.00 N ATOM 822 CA GLY B 35 -12.739 1.406 16.870 1.00 0.00 C ATOM 823 C GLY B 35 -12.276 1.728 15.462 1.00 0.00 C ATOM 824 O GLY B 35 -12.572 0.993 14.521 1.00 0.00 O ATOM 0 H GLY B 35 -10.713 1.393 17.395 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.351 0.504 16.850 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.374 2.214 17.233 1.00 0.00 H new ATOM 828 N PHE B 36 -11.550 2.833 15.318 1.00 0.00 N ATOM 829 CA PHE B 36 -11.046 3.254 14.022 1.00 0.00 C ATOM 830 C PHE B 36 -9.633 2.731 13.781 1.00 0.00 C ATOM 831 O PHE B 36 -8.691 3.117 14.472 1.00 0.00 O ATOM 832 CB PHE B 36 -11.064 4.777 13.925 1.00 0.00 C ATOM 833 CG PHE B 36 -12.435 5.348 13.705 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.239 5.692 14.780 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.922 5.540 12.422 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.502 6.214 14.580 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.183 6.064 12.216 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.976 6.402 13.297 1.00 0.00 C ATOM 0 H PHE B 36 -11.299 3.453 16.088 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.696 2.835 13.254 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.647 5.196 14.841 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.414 5.089 13.107 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.874 5.550 15.786 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.308 5.277 11.573 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.119 6.475 15.427 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.550 6.210 11.211 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.963 6.812 13.138 1.00 0.00 H new ATOM 848 N ARG B 37 -9.497 1.850 12.796 1.00 0.00 N ATOM 849 CA ARG B 37 -8.203 1.270 12.454 1.00 0.00 C ATOM 850 C ARG B 37 -7.745 1.720 11.074 1.00 0.00 C ATOM 851 O ARG B 37 -8.210 2.733 10.552 1.00 0.00 O ATOM 852 CB ARG B 37 -8.278 -0.255 12.490 1.00 0.00 C ATOM 853 CG ARG B 37 -8.218 -0.843 13.892 1.00 0.00 C ATOM 854 CD ARG B 37 -6.869 -0.592 14.547 1.00 0.00 C ATOM 855 NE ARG B 37 -5.772 -1.195 13.794 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.519 -1.244 14.228 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.201 -0.730 15.409 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.578 -1.810 13.482 1.00 0.00 N ATOM 0 H ARG B 37 -10.270 1.521 12.218 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.480 1.617 13.192 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.204 -0.575 12.012 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.457 -0.663 11.900 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.007 -0.407 14.504 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.407 -1.916 13.846 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.702 0.482 14.633 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -6.878 -0.995 15.560 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.981 -1.602 12.882 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.921 -0.295 15.987 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.237 -0.769 15.739 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.818 -2.208 12.574 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.615 -1.847 13.817 1.00 0.00 H new ATOM 872 N TRP B 38 -6.826 0.956 10.491 1.00 0.00 N ATOM 873 CA TRP B 38 -6.303 1.267 9.169 1.00 0.00 C ATOM 874 C TRP B 38 -6.556 0.116 8.198 1.00 0.00 C ATOM 875 O TRP B 38 -6.126 -1.013 8.432 1.00 0.00 O ATOM 876 CB TRP B 38 -4.803 1.566 9.236 1.00 0.00 C ATOM 877 CG TRP B 38 -4.479 2.891 9.859 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.253 3.144 11.181 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.339 4.145 9.180 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.979 4.478 11.364 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.029 5.114 10.152 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.448 4.542 7.844 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.824 6.452 9.831 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.246 5.874 7.527 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.936 6.814 8.517 1.00 0.00 C ATOM 0 H TRP B 38 -6.429 0.117 10.915 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.825 2.153 8.806 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.309 0.777 9.804 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.391 1.538 8.227 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.285 2.405 11.968 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.772 4.923 12.258 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.685 3.823 7.074 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.585 7.179 10.593 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.329 6.194 6.499 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.782 7.846 8.237 1.00 0.00 H new ATOM 896 N GLU B 39 -7.257 0.413 7.108 1.00 0.00 N ATOM 897 CA GLU B 39 -7.564 -0.594 6.098 1.00 0.00 C ATOM 898 C GLU B 39 -6.613 -0.477 4.913 1.00 0.00 C ATOM 899 O GLU B 39 -6.127 0.610 4.598 1.00 0.00 O ATOM 900 CB GLU B 39 -9.011 -0.450 5.623 1.00 0.00 C ATOM 901 CG GLU B 39 -10.038 -0.749 6.703 1.00 0.00 C ATOM 902 CD GLU B 39 -9.940 -2.171 7.221 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.198 -2.397 8.199 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.607 -3.058 6.648 1.00 0.00 O ATOM 0 H GLU B 39 -7.623 1.342 6.902 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.437 -1.578 6.550 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.165 0.565 5.257 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.176 -1.121 4.780 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.902 -0.054 7.532 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.039 -0.579 6.305 1.00 0.00 H new ATOM 911 N LEU B 40 -6.350 -1.604 4.256 1.00 0.00 N ATOM 912 CA LEU B 40 -5.456 -1.626 3.106 1.00 0.00 C ATOM 913 C LEU B 40 -6.235 -1.525 1.801 1.00 0.00 C ATOM 914 O LEU B 40 -6.799 -2.512 1.326 1.00 0.00 O ATOM 915 CB LEU B 40 -4.611 -2.902 3.111 1.00 0.00 C ATOM 916 CG LEU B 40 -3.671 -3.055 4.308 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.956 -4.398 4.251 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.661 -1.916 4.346 1.00 0.00 C ATOM 0 H LEU B 40 -6.744 -2.512 4.502 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.797 -0.761 3.180 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.280 -3.762 3.082 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.017 -2.929 2.197 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.266 -3.016 5.220 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.291 -4.493 5.109 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.691 -5.203 4.271 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.374 -4.462 3.332 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.002 -2.043 5.205 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.070 -1.923 3.430 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.188 -0.965 4.430 1.00 0.00 H new ATOM 930 N ARG B 41 -6.264 -0.327 1.226 1.00 0.00 N ATOM 931 CA ARG B 41 -6.966 -0.099 -0.031 1.00 0.00 C ATOM 932 C ARG B 41 -6.211 -0.746 -1.186 1.00 0.00 C ATOM 933 O ARG B 41 -6.796 -1.083 -2.215 1.00 0.00 O ATOM 934 CB ARG B 41 -7.124 1.402 -0.285 1.00 0.00 C ATOM 935 CG ARG B 41 -7.946 2.120 0.776 1.00 0.00 C ATOM 936 CD ARG B 41 -9.411 1.722 0.711 1.00 0.00 C ATOM 937 NE ARG B 41 -10.003 2.022 -0.591 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.286 1.834 -0.879 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.112 1.347 0.037 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.747 2.133 -2.087 1.00 0.00 N ATOM 0 H ARG B 41 -5.809 0.501 1.611 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.955 -0.552 0.039 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.136 1.859 -0.337 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.594 1.549 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.549 1.888 1.764 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.855 3.198 0.641 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.506 0.656 0.915 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.964 2.247 1.490 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.396 2.397 -1.320 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.763 1.115 0.967 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.096 1.204 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.116 2.508 -2.795 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.732 1.988 -2.307 1.00 0.00 H new ATOM 954 N ASN B 42 -4.904 -0.915 -1.004 1.00 0.00 N ATOM 955 CA ASN B 42 -4.056 -1.524 -2.022 1.00 0.00 C ATOM 956 C ASN B 42 -2.666 -1.822 -1.456 1.00 0.00 C ATOM 957 O ASN B 42 -1.779 -0.972 -1.498 1.00 0.00 O ATOM 958 CB ASN B 42 -3.939 -0.603 -3.240 1.00 0.00 C ATOM 959 CG ASN B 42 -3.206 -1.257 -4.394 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.204 -2.481 -4.530 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.585 -0.443 -5.239 1.00 0.00 N ATOM 0 H ASN B 42 -4.408 -0.637 -0.157 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.515 -2.463 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.937 -0.310 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.417 0.310 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.081 -0.826 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.612 0.565 -5.089 1.00 0.00 H new ATOM 968 N PRO B 43 -2.461 -3.039 -0.916 1.00 0.00 N ATOM 969 CA PRO B 43 -1.173 -3.440 -0.335 1.00 0.00 C ATOM 970 C PRO B 43 -0.108 -3.713 -1.393 1.00 0.00 C ATOM 971 O PRO B 43 0.930 -4.306 -1.097 1.00 0.00 O ATOM 972 CB PRO B 43 -1.516 -4.724 0.420 1.00 0.00 C ATOM 973 CG PRO B 43 -2.670 -5.296 -0.327 1.00 0.00 C ATOM 974 CD PRO B 43 -3.464 -4.119 -0.824 1.00 0.00 C ATOM 0 HA PRO B 43 -0.749 -2.655 0.291 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.672 -5.413 0.436 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.778 -4.517 1.458 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.330 -5.916 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.276 -5.932 0.318 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.922 -4.324 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.270 -3.860 -0.138 1.00 0.00 H new ATOM 982 N ALA B 44 -0.368 -3.276 -2.622 1.00 0.00 N ATOM 983 CA ALA B 44 0.573 -3.476 -3.717 1.00 0.00 C ATOM 984 C ALA B 44 0.942 -4.948 -3.861 1.00 0.00 C ATOM 985 O ALA B 44 2.026 -5.285 -4.337 1.00 0.00 O ATOM 986 CB ALA B 44 1.822 -2.636 -3.502 1.00 0.00 C ATOM 0 H ALA B 44 -1.221 -2.782 -2.883 1.00 0.00 H new ATOM 0 HA ALA B 44 0.090 -3.157 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.515 -2.796 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.548 -1.582 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.299 -2.927 -2.566 1.00 0.00 H new ATOM 992 N ALA B 45 0.028 -5.824 -3.451 1.00 0.00 N ATOM 993 CA ALA B 45 0.254 -7.262 -3.526 1.00 0.00 C ATOM 994 C ALA B 45 0.527 -7.709 -4.960 1.00 0.00 C ATOM 995 O ALA B 45 0.948 -8.842 -5.195 1.00 0.00 O ATOM 996 CB ALA B 45 -0.943 -8.011 -2.959 1.00 0.00 C ATOM 0 H ALA B 45 -0.878 -5.561 -3.063 1.00 0.00 H new ATOM 0 HA ALA B 45 1.136 -7.495 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.763 -9.084 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -1.090 -7.727 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.835 -7.759 -3.533 1.00 0.00 H new ATOM 1002 N SER B 46 0.287 -6.813 -5.913 1.00 0.00 N ATOM 1003 CA SER B 46 0.510 -7.117 -7.321 1.00 0.00 C ATOM 1004 C SER B 46 1.979 -7.422 -7.589 1.00 0.00 C ATOM 1005 O SER B 46 2.304 -8.289 -8.402 1.00 0.00 O ATOM 1006 CB SER B 46 0.052 -5.949 -8.195 1.00 0.00 C ATOM 1007 OG SER B 46 0.245 -6.232 -9.570 1.00 0.00 O ATOM 0 H SER B 46 -0.062 -5.871 -5.735 1.00 0.00 H new ATOM 0 HA SER B 46 -0.076 -8.002 -7.571 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.002 -5.743 -8.008 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.606 -5.050 -7.925 1.00 0.00 H new ATOM 0 HG SER B 46 -0.057 -5.470 -10.106 1.00 0.00 H new ATOM 1013 N VAL B 47 2.867 -6.707 -6.904 1.00 0.00 N ATOM 1014 CA VAL B 47 4.301 -6.904 -7.074 1.00 0.00 C ATOM 1015 C VAL B 47 4.990 -7.175 -5.739 1.00 0.00 C ATOM 1016 O VAL B 47 5.856 -8.045 -5.644 1.00 0.00 O ATOM 1017 CB VAL B 47 4.965 -5.688 -7.749 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.468 -5.538 -9.177 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.707 -4.419 -6.952 1.00 0.00 C ATOM 0 H VAL B 47 2.618 -5.986 -6.226 1.00 0.00 H new ATOM 0 HA VAL B 47 4.420 -7.775 -7.719 1.00 0.00 H new ATOM 0 HB VAL B 47 6.042 -5.855 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.946 -4.675 -9.640 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.713 -6.436 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.387 -5.395 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.185 -3.574 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.633 -4.242 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.117 -4.530 -5.948 1.00 0.00 H new ATOM 1029 N LEU B 48 4.601 -6.428 -4.711 1.00 0.00 N ATOM 1030 CA LEU B 48 5.186 -6.594 -3.386 1.00 0.00 C ATOM 1031 C LEU B 48 4.501 -7.730 -2.635 1.00 0.00 C ATOM 1032 O LEU B 48 3.403 -8.153 -2.997 1.00 0.00 O ATOM 1033 CB LEU B 48 5.075 -5.295 -2.582 1.00 0.00 C ATOM 1034 CG LEU B 48 5.402 -4.016 -3.358 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.195 -2.793 -2.477 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.828 -4.058 -3.888 1.00 0.00 C ATOM 0 H LEU B 48 3.885 -5.704 -4.770 1.00 0.00 H new ATOM 0 HA LEU B 48 6.240 -6.842 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.061 -5.214 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.743 -5.360 -1.723 1.00 0.00 H new ATOM 0 HG LEU B 48 4.724 -3.948 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.432 -1.892 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.156 -2.753 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.848 -2.857 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.040 -3.140 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.524 -4.151 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.944 -4.913 -4.554 1.00 0.00 H new ATOM 1048 N LYS B 49 5.154 -8.221 -1.587 1.00 0.00 N ATOM 1049 CA LYS B 49 4.607 -9.312 -0.786 1.00 0.00 C ATOM 1050 C LYS B 49 4.447 -8.891 0.671 1.00 0.00 C ATOM 1051 O LYS B 49 5.258 -8.133 1.201 1.00 0.00 O ATOM 1052 CB LYS B 49 5.511 -10.541 -0.876 1.00 0.00 C ATOM 1053 CG LYS B 49 5.002 -11.736 -0.090 1.00 0.00 C ATOM 1054 CD LYS B 49 5.997 -12.883 -0.115 1.00 0.00 C ATOM 1055 CE LYS B 49 7.230 -12.572 0.719 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.205 -13.697 0.711 1.00 0.00 N ATOM 0 H LYS B 49 6.063 -7.881 -1.272 1.00 0.00 H new ATOM 0 HA LYS B 49 3.623 -9.562 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS B 49 5.618 -10.826 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.505 -10.277 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.812 -11.440 0.942 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.051 -12.069 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.520 -13.787 0.263 1.00 0.00 H new ATOM 0 HD3 LYS B 49 6.294 -13.085 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.711 -11.672 0.334 1.00 0.00 H new ATOM 0 HE3 LYS B 49 6.930 -12.359 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.031 -13.445 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 7.755 -14.549 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.512 -13.884 -0.265 1.00 0.00 H new ATOM 1070 N ARG B 50 3.394 -9.389 1.314 1.00 0.00 N ATOM 1071 CA ARG B 50 3.129 -9.070 2.710 1.00 0.00 C ATOM 1072 C ARG B 50 3.992 -9.926 3.632 1.00 0.00 C ATOM 1073 O ARG B 50 3.912 -11.154 3.607 1.00 0.00 O ATOM 1074 CB ARG B 50 1.649 -9.283 3.033 1.00 0.00 C ATOM 1075 CG ARG B 50 1.273 -8.902 4.455 1.00 0.00 C ATOM 1076 CD ARG B 50 -0.205 -9.135 4.723 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.585 -8.752 6.079 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.822 -8.849 6.554 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.798 -9.315 5.783 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.088 -8.479 7.798 1.00 0.00 N ATOM 0 H ARG B 50 2.711 -10.016 0.888 1.00 0.00 H new ATOM 0 HA ARG B 50 3.380 -8.022 2.873 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.047 -8.698 2.338 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.397 -10.331 2.868 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.868 -9.485 5.158 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.514 -7.853 4.627 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.797 -8.565 4.007 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.440 -10.188 4.565 1.00 0.00 H new ATOM 0 HE ARG B 50 0.140 -8.389 6.697 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.599 -9.599 4.824 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.747 -9.389 6.150 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.342 -8.119 8.393 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.038 -8.554 8.160 1.00 0.00 H new ATOM 1349 N GLU B 71 0.880 1.488 18.569 1.00 0.00 N ATOM 1350 CA GLU B 71 1.379 1.973 17.287 1.00 0.00 C ATOM 1351 C GLU B 71 1.213 0.913 16.203 1.00 0.00 C ATOM 1352 O GLU B 71 1.663 -0.222 16.358 1.00 0.00 O ATOM 1353 CB GLU B 71 2.850 2.374 17.406 1.00 0.00 C ATOM 1354 CG GLU B 71 3.086 3.559 18.328 1.00 0.00 C ATOM 1355 CD GLU B 71 2.431 4.831 17.827 1.00 0.00 C ATOM 1356 OE1 GLU B 71 1.286 5.111 18.238 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.064 5.546 17.021 1.00 0.00 O ATOM 0 HA GLU B 71 0.794 2.849 17.006 1.00 0.00 H new ATOM 0 HB2 GLU B 71 3.422 1.521 17.771 1.00 0.00 H new ATOM 0 HB3 GLU B 71 3.234 2.614 16.414 1.00 0.00 H new ATOM 0 HG2 GLU B 71 2.701 3.324 19.320 1.00 0.00 H new ATOM 0 HG3 GLU B 71 4.158 3.724 18.433 1.00 0.00 H new ATOM 1364 N SER B 72 0.568 1.293 15.106 1.00 0.00 N ATOM 1365 CA SER B 72 0.345 0.376 13.994 1.00 0.00 C ATOM 1366 C SER B 72 1.518 0.404 13.020 1.00 0.00 C ATOM 1367 O SER B 72 1.752 1.404 12.343 1.00 0.00 O ATOM 1368 CB SER B 72 -0.950 0.736 13.260 1.00 0.00 C ATOM 1369 OG SER B 72 -2.065 0.677 14.133 1.00 0.00 O ATOM 0 H SER B 72 0.190 2.230 14.963 1.00 0.00 H new ATOM 0 HA SER B 72 0.258 -0.632 14.400 1.00 0.00 H new ATOM 0 HB2 SER B 72 -0.867 1.738 12.839 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.101 0.051 12.425 1.00 0.00 H new ATOM 0 HG SER B 72 -2.879 0.913 13.641 1.00 0.00 H new ATOM 1375 N THR B 73 2.252 -0.702 12.956 1.00 0.00 N ATOM 1376 CA THR B 73 3.402 -0.807 12.066 1.00 0.00 C ATOM 1377 C THR B 73 3.142 -1.819 10.954 1.00 0.00 C ATOM 1378 O THR B 73 2.874 -2.991 11.219 1.00 0.00 O ATOM 1379 CB THR B 73 4.673 -1.216 12.834 1.00 0.00 C ATOM 1380 OG1 THR B 73 4.923 -0.288 13.896 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.876 -1.265 11.904 1.00 0.00 C ATOM 0 H THR B 73 2.071 -1.539 13.510 1.00 0.00 H new ATOM 0 HA THR B 73 3.556 0.179 11.628 1.00 0.00 H new ATOM 0 HB THR B 73 4.515 -2.211 13.250 1.00 0.00 H new ATOM 0 HG1 THR B 73 5.732 -0.556 14.381 1.00 0.00 H new ATOM 0 HG21 THR B 73 6.761 -1.556 12.469 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.695 -1.993 11.113 1.00 0.00 H new ATOM 0 HG23 THR B 73 6.035 -0.281 11.462 1.00 0.00 H new ATOM 1389 N TRP B 74 3.224 -1.356 9.712 1.00 0.00 N ATOM 1390 CA TRP B 74 2.999 -2.219 8.558 1.00 0.00 C ATOM 1391 C TRP B 74 4.324 -2.635 7.925 1.00 0.00 C ATOM 1392 O TRP B 74 5.050 -1.804 7.380 1.00 0.00 O ATOM 1393 CB TRP B 74 2.127 -1.506 7.524 1.00 0.00 C ATOM 1394 CG TRP B 74 0.799 -1.073 8.064 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.508 0.115 8.670 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.421 -1.825 8.047 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.818 0.149 9.031 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.409 -1.031 8.659 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.773 -3.092 7.572 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.724 -1.464 8.808 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.079 -3.520 7.721 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.041 -2.707 8.335 1.00 0.00 C ATOM 0 H TRP B 74 3.445 -0.388 9.478 1.00 0.00 H new ATOM 0 HA TRP B 74 2.483 -3.116 8.900 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.661 -0.633 7.149 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.967 -2.170 6.675 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.216 0.912 8.841 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.286 0.925 9.499 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.038 -3.725 7.097 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.468 -0.840 9.281 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.362 -4.497 7.358 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.053 -3.070 8.437 1.00 0.00 H new ATOM 1413 N ARG B 75 4.629 -3.927 7.998 1.00 0.00 N ATOM 1414 CA ARG B 75 5.865 -4.455 7.433 1.00 0.00 C ATOM 1415 C ARG B 75 5.611 -5.135 6.092 1.00 0.00 C ATOM 1416 O ARG B 75 4.746 -6.005 5.980 1.00 0.00 O ATOM 1417 CB ARG B 75 6.513 -5.435 8.404 1.00 0.00 C ATOM 1418 CG ARG B 75 7.051 -4.761 9.651 1.00 0.00 C ATOM 1419 CD ARG B 75 7.847 -5.726 10.501 1.00 0.00 C ATOM 1420 NE ARG B 75 9.068 -6.168 9.834 1.00 0.00 N ATOM 1421 CZ ARG B 75 9.981 -6.948 10.408 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.810 -7.369 11.653 1.00 0.00 N ATOM 1423 NH2 ARG B 75 11.066 -7.306 9.735 1.00 0.00 N ATOM 0 H ARG B 75 4.036 -4.628 8.443 1.00 0.00 H new ATOM 0 HA ARG B 75 6.543 -3.618 7.266 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.782 -6.190 8.692 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.327 -5.955 7.898 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.682 -3.918 9.368 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.223 -4.358 10.234 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.104 -5.249 11.447 1.00 0.00 H new ATOM 0 HD3 ARG B 75 7.230 -6.593 10.739 1.00 0.00 H new ATOM 0 HE ARG B 75 9.230 -5.862 8.875 1.00 0.00 H new ATOM 0 HH11 ARG B 75 8.977 -7.095 12.174 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.511 -7.967 12.090 1.00 0.00 H new ATOM 0 HH21 ARG B 75 11.201 -6.984 8.777 1.00 0.00 H new ATOM 0 HH22 ARG B 75 11.765 -7.904 10.176 1.00 0.00 H new ATOM 1437 N PHE B 76 6.371 -4.735 5.076 1.00 0.00 N ATOM 1438 CA PHE B 76 6.224 -5.310 3.742 1.00 0.00 C ATOM 1439 C PHE B 76 7.583 -5.631 3.127 1.00 0.00 C ATOM 1440 O PHE B 76 8.544 -4.879 3.291 1.00 0.00 O ATOM 1441 CB PHE B 76 5.458 -4.350 2.828 1.00 0.00 C ATOM 1442 CG PHE B 76 4.019 -4.169 3.213 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.080 -5.142 2.910 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.604 -3.024 3.870 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.753 -4.977 3.260 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.279 -2.853 4.224 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.353 -3.831 3.918 1.00 0.00 C ATOM 0 H PHE B 76 7.092 -4.018 5.150 1.00 0.00 H new ATOM 0 HA PHE B 76 5.662 -6.238 3.841 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.953 -3.379 2.840 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.507 -4.720 1.804 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.389 -6.039 2.395 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.324 -2.255 4.109 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.031 -5.743 3.019 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.968 -1.956 4.739 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.317 -3.699 4.193 1.00 0.00 H new ATOM 1457 N ARG B 77 7.649 -6.755 2.419 1.00 0.00 N ATOM 1458 CA ARG B 77 8.879 -7.189 1.764 1.00 0.00 C ATOM 1459 C ARG B 77 8.659 -7.349 0.263 1.00 0.00 C ATOM 1460 O ARG B 77 7.650 -7.905 -0.169 1.00 0.00 O ATOM 1461 CB ARG B 77 9.360 -8.515 2.366 1.00 0.00 C ATOM 1462 CG ARG B 77 10.378 -9.251 1.506 1.00 0.00 C ATOM 1463 CD ARG B 77 11.732 -8.560 1.514 1.00 0.00 C ATOM 1464 NE ARG B 77 12.424 -8.734 2.788 1.00 0.00 N ATOM 1465 CZ ARG B 77 13.745 -8.671 2.923 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.515 -8.445 1.868 1.00 0.00 N ATOM 1467 NH2 ARG B 77 14.300 -8.838 4.116 1.00 0.00 N ATOM 0 H ARG B 77 6.859 -7.386 2.284 1.00 0.00 H new ATOM 0 HA ARG B 77 9.642 -6.427 1.926 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.799 -8.320 3.344 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.499 -9.163 2.527 1.00 0.00 H new ATOM 0 HG2 ARG B 77 10.490 -10.272 1.870 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.009 -9.316 0.482 1.00 0.00 H new ATOM 0 HD2 ARG B 77 12.348 -8.959 0.709 1.00 0.00 H new ATOM 0 HD3 ARG B 77 11.598 -7.497 1.316 1.00 0.00 H new ATOM 0 HE ARG B 77 11.863 -8.914 3.620 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.094 -8.319 0.947 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.528 -8.398 1.977 1.00 0.00 H new ATOM 0 HH21 ARG B 77 13.713 -9.015 4.931 1.00 0.00 H new ATOM 0 HH22 ARG B 77 15.314 -8.789 4.218 1.00 0.00 H new ATOM 1481 N VAL B 78 9.610 -6.863 -0.528 1.00 0.00 N ATOM 1482 CA VAL B 78 9.516 -6.961 -1.980 1.00 0.00 C ATOM 1483 C VAL B 78 9.825 -8.379 -2.449 1.00 0.00 C ATOM 1484 O VAL B 78 10.854 -8.951 -2.086 1.00 0.00 O ATOM 1485 CB VAL B 78 10.471 -5.973 -2.676 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.331 -6.065 -4.187 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.208 -4.554 -2.194 1.00 0.00 C ATOM 0 H VAL B 78 10.452 -6.399 -0.189 1.00 0.00 H new ATOM 0 HA VAL B 78 8.492 -6.706 -2.253 1.00 0.00 H new ATOM 0 HB VAL B 78 11.495 -6.240 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.014 -5.359 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.571 -7.077 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.307 -5.825 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.891 -3.867 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.180 -4.276 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.365 -4.501 -1.117 1.00 0.00 H new ATOM 1497 N ALA B 79 8.932 -8.942 -3.257 1.00 0.00 N ATOM 1498 CA ALA B 79 9.110 -10.297 -3.767 1.00 0.00 C ATOM 1499 C ALA B 79 9.342 -10.305 -5.273 1.00 0.00 C ATOM 1500 O ALA B 79 10.159 -11.074 -5.777 1.00 0.00 O ATOM 1501 CB ALA B 79 7.901 -11.150 -3.416 1.00 0.00 C ATOM 0 H ALA B 79 8.078 -8.481 -3.572 1.00 0.00 H new ATOM 0 HA ALA B 79 9.997 -10.718 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.044 -12.160 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.785 -11.188 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.007 -10.715 -3.862 1.00 0.00 H new ATOM 1507 N ALA B 80 8.619 -9.449 -5.990 1.00 0.00 N ATOM 1508 CA ALA B 80 8.752 -9.369 -7.439 1.00 0.00 C ATOM 1509 C ALA B 80 8.813 -7.921 -7.908 1.00 0.00 C ATOM 1510 O ALA B 80 8.347 -7.015 -7.218 1.00 0.00 O ATOM 1511 CB ALA B 80 7.598 -10.094 -8.115 1.00 0.00 C ATOM 0 H ALA B 80 7.937 -8.803 -5.591 1.00 0.00 H new ATOM 0 HA ALA B 80 9.688 -9.853 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.710 -10.026 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.601 -11.142 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.655 -9.634 -7.818 1.00 0.00 H new ATOM 1517 N SER B 81 9.391 -7.713 -9.085 1.00 0.00 N ATOM 1518 CA SER B 81 9.518 -6.386 -9.652 1.00 0.00 C ATOM 1519 C SER B 81 8.176 -5.887 -10.170 1.00 0.00 C ATOM 1520 O SER B 81 7.147 -6.537 -9.988 1.00 0.00 O ATOM 1521 CB SER B 81 10.542 -6.405 -10.784 1.00 0.00 C ATOM 1522 OG SER B 81 9.988 -6.961 -11.963 1.00 0.00 O ATOM 0 H SER B 81 9.780 -8.456 -9.665 1.00 0.00 H new ATOM 0 HA SER B 81 9.856 -5.706 -8.870 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.887 -5.390 -10.984 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.414 -6.984 -10.480 1.00 0.00 H new ATOM 0 HG SER B 81 10.136 -6.349 -12.714 1.00 0.00 H new ATOM 1528 N GLY B 82 8.200 -4.732 -10.819 1.00 0.00 N ATOM 1529 CA GLY B 82 6.982 -4.152 -11.356 1.00 0.00 C ATOM 1530 C GLY B 82 6.577 -2.882 -10.634 1.00 0.00 C ATOM 1531 O GLY B 82 6.950 -2.670 -9.481 1.00 0.00 O ATOM 0 H GLY B 82 9.044 -4.183 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY B 82 7.123 -3.935 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.174 -4.880 -11.284 1.00 0.00 H new ATOM 1535 N ASP B 83 5.808 -2.039 -11.314 1.00 0.00 N ATOM 1536 CA ASP B 83 5.352 -0.784 -10.739 1.00 0.00 C ATOM 1537 C ASP B 83 4.010 -0.955 -10.031 1.00 0.00 C ATOM 1538 O ASP B 83 3.178 -1.762 -10.444 1.00 0.00 O ATOM 1539 CB ASP B 83 5.230 0.270 -11.838 1.00 0.00 C ATOM 1540 CG ASP B 83 4.348 -0.186 -12.982 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.124 0.055 -12.923 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.882 -0.785 -13.940 1.00 0.00 O ATOM 0 H ASP B 83 5.487 -2.205 -12.268 1.00 0.00 H new ATOM 0 HA ASP B 83 6.084 -0.460 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.824 1.188 -11.413 1.00 0.00 H new ATOM 0 HB3 ASP B 83 6.222 0.508 -12.221 1.00 0.00 H new ATOM 1547 N ASP B 84 3.812 -0.189 -8.962 1.00 0.00 N ATOM 1548 CA ASP B 84 2.573 -0.247 -8.195 1.00 0.00 C ATOM 1549 C ASP B 84 2.427 0.993 -7.316 1.00 0.00 C ATOM 1550 O ASP B 84 3.216 1.932 -7.421 1.00 0.00 O ATOM 1551 CB ASP B 84 2.538 -1.511 -7.332 1.00 0.00 C ATOM 1552 CG ASP B 84 1.126 -2.004 -7.088 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.519 -1.595 -6.078 1.00 0.00 O ATOM 1554 OD2 ASP B 84 0.626 -2.803 -7.909 1.00 0.00 O ATOM 0 H ASP B 84 4.495 0.480 -8.607 1.00 0.00 H new ATOM 0 HA ASP B 84 1.738 -0.277 -8.895 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.115 -2.297 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP B 84 3.020 -1.308 -6.375 1.00 0.00 H new ATOM 1559 N ARG B 85 1.417 0.994 -6.453 1.00 0.00 N ATOM 1560 CA ARG B 85 1.175 2.122 -5.565 1.00 0.00 C ATOM 1561 C ARG B 85 0.398 1.690 -4.325 1.00 0.00 C ATOM 1562 O ARG B 85 -0.727 1.203 -4.429 1.00 0.00 O ATOM 1563 CB ARG B 85 0.400 3.211 -6.307 1.00 0.00 C ATOM 1564 CG ARG B 85 0.087 4.426 -5.455 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.755 5.433 -6.217 1.00 0.00 C ATOM 1566 NE ARG B 85 -2.067 4.896 -6.569 1.00 0.00 N ATOM 1567 CZ ARG B 85 -3.004 5.593 -7.204 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.775 6.852 -7.556 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -4.170 5.030 -7.488 1.00 0.00 N ATOM 0 H ARG B 85 0.754 0.226 -6.350 1.00 0.00 H new ATOM 0 HA ARG B 85 2.140 2.514 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.977 3.527 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.534 2.790 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.442 4.114 -4.554 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.016 4.896 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.881 6.331 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -0.230 5.731 -7.125 1.00 0.00 H new ATOM 0 HE ARG B 85 -2.276 3.931 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -1.878 7.287 -7.339 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.496 7.385 -8.043 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -4.348 4.062 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -4.889 5.565 -7.975 1.00 0.00 H new ATOM 1583 N LEU B 86 1.002 1.871 -3.155 1.00 0.00 N ATOM 1584 CA LEU B 86 0.355 1.502 -1.903 1.00 0.00 C ATOM 1585 C LEU B 86 -0.803 2.445 -1.595 1.00 0.00 C ATOM 1586 O LEU B 86 -0.709 3.653 -1.820 1.00 0.00 O ATOM 1587 CB LEU B 86 1.366 1.519 -0.755 1.00 0.00 C ATOM 1588 CG LEU B 86 2.122 0.207 -0.526 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.028 0.322 0.689 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.154 -0.951 -0.350 1.00 0.00 C ATOM 0 H LEU B 86 1.935 2.269 -3.049 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.040 0.492 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.093 2.309 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.842 1.782 0.164 1.00 0.00 H new ATOM 0 HG LEU B 86 2.736 0.011 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.558 -0.619 0.838 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.749 1.124 0.530 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.427 0.544 1.571 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.714 -1.872 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.512 -0.761 0.510 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.540 -1.052 -1.245 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.894 1.886 -1.081 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.072 2.678 -0.747 1.00 0.00 C ATOM 1604 C GLU B 87 -3.636 2.270 0.611 1.00 0.00 C ATOM 1605 O GLU B 87 -4.035 1.124 0.809 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.147 2.516 -1.826 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.639 2.768 -3.236 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.756 3.081 -4.212 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.294 2.135 -4.822 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.092 4.275 -4.365 1.00 0.00 O ATOM 0 H GLU B 87 -1.987 0.889 -0.887 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.771 3.724 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.555 1.507 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.967 3.203 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.932 3.598 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.093 1.891 -3.584 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.660 3.219 1.542 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.178 2.964 2.882 1.00 0.00 C ATOM 1619 C LEU B 88 -5.165 4.052 3.292 1.00 0.00 C ATOM 1620 O LEU B 88 -5.088 5.184 2.815 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.037 2.890 3.899 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.031 1.757 3.680 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.994 2.152 2.641 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.361 1.380 4.991 1.00 0.00 C ATOM 0 H LEU B 88 -3.327 4.171 1.393 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.696 2.005 2.865 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.499 3.838 3.885 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.467 2.783 4.895 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.570 0.886 3.307 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.289 1.333 2.501 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.491 2.369 1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.458 3.038 2.981 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.649 0.573 4.817 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.836 2.246 5.394 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.116 1.050 5.704 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.091 3.703 4.179 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.090 4.654 4.651 1.00 0.00 C ATOM 1638 C VAL B 89 -7.374 4.461 6.135 1.00 0.00 C ATOM 1639 O VAL B 89 -7.159 3.382 6.688 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.405 4.528 3.859 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.988 3.130 4.000 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.412 5.579 4.297 1.00 0.00 C ATOM 0 H VAL B 89 -6.170 2.770 4.585 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.679 5.651 4.493 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.179 4.699 2.806 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.916 3.064 3.433 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.276 2.399 3.618 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.190 2.924 5.051 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.330 5.466 3.721 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.631 5.453 5.357 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -8.998 6.573 4.127 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.860 5.519 6.772 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.174 5.481 8.195 1.00 0.00 C ATOM 1654 C TYR B 90 -9.683 5.424 8.418 1.00 0.00 C ATOM 1655 O TYR B 90 -10.393 6.399 8.175 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.588 6.708 8.898 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.838 6.737 10.388 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.623 7.731 10.960 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.290 5.773 11.224 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.853 7.761 12.323 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.517 5.795 12.587 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.298 6.792 13.130 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.527 6.820 14.487 1.00 0.00 O ATOM 0 H TYR B 90 -8.046 6.416 6.324 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.729 4.580 8.618 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.513 6.738 8.719 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.011 7.607 8.451 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.060 8.492 10.330 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.675 4.992 10.801 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.465 8.540 12.753 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.085 5.036 13.222 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.066 6.067 14.912 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.162 4.274 8.879 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.585 4.083 9.134 1.00 0.00 C ATOM 1675 C ARG B 91 -11.832 2.784 9.892 1.00 0.00 C ATOM 1676 O ARG B 91 -10.902 2.024 10.160 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.361 4.071 7.815 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.934 2.956 6.873 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.722 2.992 5.573 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.363 1.887 4.688 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.007 1.609 3.558 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.035 2.355 3.175 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.622 0.585 2.809 1.00 0.00 N ATOM 0 H ARG B 91 -9.585 3.459 9.084 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.934 4.913 9.748 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.425 3.968 8.029 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.228 5.030 7.315 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.870 3.048 6.657 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.078 1.992 7.360 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.789 2.949 5.794 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.540 3.939 5.064 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.575 1.296 4.951 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.334 3.144 3.748 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.527 2.139 2.308 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.831 0.010 3.099 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.116 0.373 1.943 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.092 2.536 10.235 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.463 1.325 10.958 1.00 0.00 C ATOM 1699 C ARG B 92 -13.127 0.084 10.127 1.00 0.00 C ATOM 1700 O ARG B 92 -13.525 -0.017 8.967 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.952 1.353 11.299 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.342 2.512 12.204 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.849 2.603 12.390 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.222 3.648 13.338 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.458 3.820 13.796 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.437 3.023 13.392 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.716 4.792 14.660 1.00 0.00 N ATOM 0 H ARG B 92 -13.873 3.157 10.024 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.893 1.282 11.886 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.528 1.413 10.375 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.224 0.415 11.784 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.863 2.391 13.176 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.971 3.445 11.779 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.321 2.801 11.428 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -17.229 1.643 12.740 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.494 4.282 13.667 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.243 2.274 12.727 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.384 3.159 13.746 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.966 5.408 14.973 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.665 4.924 15.011 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.388 -0.880 10.712 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.988 -2.104 10.009 1.00 0.00 C ATOM 1723 C PRO B 93 -13.138 -3.085 9.799 1.00 0.00 C ATOM 1724 O PRO B 93 -13.086 -3.924 8.899 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.932 -2.705 10.935 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.319 -2.235 12.292 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.882 -0.857 12.100 1.00 0.00 C ATOM 0 HA PRO B 93 -11.632 -1.889 9.001 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.927 -3.793 10.878 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -9.931 -2.367 10.668 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -12.057 -2.900 12.741 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.458 -2.216 12.960 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.678 -0.646 12.814 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.120 -0.090 12.237 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.172 -2.983 10.627 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.320 -3.880 10.515 1.00 0.00 C ATOM 1737 C TRP B 94 -16.269 -3.433 9.408 1.00 0.00 C ATOM 1738 O TRP B 94 -17.156 -4.183 9.001 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.069 -3.965 11.848 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.534 -2.639 12.365 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.523 -1.856 11.846 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.033 -1.946 13.512 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.664 -0.714 12.596 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.761 -0.747 13.626 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.039 -2.220 14.456 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.525 0.174 14.642 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.807 -1.305 15.466 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.548 -0.119 15.551 1.00 0.00 C ATOM 0 H TRP B 94 -14.241 -2.295 11.377 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.942 -4.869 10.258 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.931 -4.621 11.728 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.418 -4.426 12.591 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.110 -2.099 10.972 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.332 0.036 12.416 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.462 -3.131 14.397 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -17.095 1.089 14.710 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -14.042 -1.508 16.201 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -15.343 0.577 16.351 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.082 -2.208 8.923 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.926 -1.672 7.861 1.00 0.00 C ATOM 1761 C GLU B 95 -16.429 -2.115 6.490 1.00 0.00 C ATOM 1762 O GLU B 95 -15.223 -2.251 6.270 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.972 -0.144 7.928 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.651 0.393 9.172 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.913 1.884 9.096 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.090 2.270 8.932 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -16.944 2.664 9.195 1.00 0.00 O ATOM 0 H GLU B 95 -15.355 -1.570 9.248 1.00 0.00 H new ATOM 0 HA GLU B 95 -17.933 -2.064 8.008 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.954 0.243 7.885 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.494 0.234 7.049 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.595 -0.131 9.321 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.028 0.181 10.041 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.363 -2.340 5.572 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.019 -2.765 4.220 1.00 0.00 C ATOM 1776 C LYS B 96 -16.883 -1.560 3.293 1.00 0.00 C ATOM 1777 O LYS B 96 -15.931 -1.465 2.521 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.085 -3.724 3.679 1.00 0.00 C ATOM 1779 CG LYS B 96 -17.785 -4.249 2.281 1.00 0.00 C ATOM 1780 CD LYS B 96 -16.518 -5.090 2.253 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.676 -6.371 3.059 1.00 0.00 C ATOM 1782 NZ LYS B 96 -17.794 -7.211 2.550 1.00 0.00 N ATOM 0 H LYS B 96 -18.364 -2.235 5.739 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.061 -3.283 4.258 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.181 -4.568 4.362 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.048 -3.213 3.667 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.626 -4.847 1.929 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.680 -3.410 1.593 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.268 -5.337 1.221 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -15.686 -4.509 2.652 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -15.747 -6.941 3.022 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.855 -6.122 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -17.696 -8.179 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -18.701 -6.811 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -17.768 -7.231 1.511 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.843 -0.645 3.378 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.833 0.556 2.551 1.00 0.00 C ATOM 1798 C ASP B 97 -18.574 1.695 3.243 1.00 0.00 C ATOM 1799 O ASP B 97 -19.803 1.733 3.258 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.467 0.270 1.190 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.476 1.488 0.287 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.490 1.685 -0.454 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -19.467 2.246 0.322 1.00 0.00 O ATOM 0 H ASP B 97 -18.639 -0.713 4.012 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.796 0.857 2.402 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.921 -0.537 0.701 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.490 -0.079 1.335 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.814 2.624 3.819 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.399 3.765 4.514 1.00 0.00 C ATOM 1810 C ALA B 98 -17.563 5.023 4.304 1.00 0.00 C ATOM 1811 O ALA B 98 -16.646 5.040 3.484 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.535 3.461 5.997 1.00 0.00 C ATOM 0 H ALA B 98 -16.794 2.608 3.818 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.390 3.946 4.097 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.973 4.320 6.506 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.179 2.592 6.133 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.551 3.253 6.417 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.890 6.075 5.050 1.00 0.00 N ATOM 1819 CA GLU B 99 -17.169 7.340 4.948 1.00 0.00 C ATOM 1820 C GLU B 99 -15.993 7.375 5.921 1.00 0.00 C ATOM 1821 O GLU B 99 -16.187 7.483 7.133 1.00 0.00 O ATOM 1822 CB GLU B 99 -18.113 8.509 5.230 1.00 0.00 C ATOM 1823 CG GLU B 99 -19.291 8.585 4.277 1.00 0.00 C ATOM 1824 CD GLU B 99 -20.271 9.681 4.648 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -21.206 9.404 5.428 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -20.105 10.815 4.155 1.00 0.00 O ATOM 0 H GLU B 99 -18.649 6.076 5.731 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.781 7.430 3.933 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.487 8.424 6.250 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.550 9.441 5.173 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.924 8.758 3.265 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.810 7.626 4.269 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.750 7.283 5.410 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.549 7.305 6.248 1.00 0.00 C ATOM 1835 C PRO B 100 -13.236 8.701 6.777 1.00 0.00 C ATOM 1836 O PRO B 100 -13.994 9.645 6.556 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.449 6.836 5.300 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.916 7.254 3.950 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.417 7.148 3.976 1.00 0.00 C ATOM 0 HA PRO B 100 -13.660 6.683 7.136 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.491 7.293 5.547 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -12.311 5.756 5.355 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.601 8.273 3.727 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.493 6.613 3.176 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.885 7.932 3.380 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.759 6.195 3.573 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.113 8.823 7.479 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.699 10.103 8.042 1.00 0.00 C ATOM 1849 C ALA B 101 -10.437 10.623 7.362 1.00 0.00 C ATOM 1850 O ALA B 101 -10.457 11.665 6.706 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.468 9.972 9.539 1.00 0.00 C ATOM 0 H ALA B 101 -11.474 8.051 7.671 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.500 10.821 7.866 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.159 10.935 9.945 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.391 9.653 10.023 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.688 9.234 9.723 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.339 9.892 7.526 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.064 10.284 6.940 1.00 0.00 C ATOM 1859 C GLU B 102 -7.758 9.509 5.668 1.00 0.00 C ATOM 1860 O GLU B 102 -8.638 8.889 5.070 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.934 10.070 7.943 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.588 11.305 8.745 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.395 12.535 7.879 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.373 13.292 7.696 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.267 12.744 7.385 1.00 0.00 O ATOM 0 H GLU B 102 -9.308 9.024 8.061 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.141 11.341 6.684 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.215 9.270 8.628 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.045 9.734 7.409 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.381 11.497 9.468 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.676 11.120 9.313 1.00 0.00 H new ATOM 1872 N SER B 103 -6.493 9.560 5.269 1.00 0.00 N ATOM 1873 CA SER B 103 -6.030 8.873 4.069 1.00 0.00 C ATOM 1874 C SER B 103 -4.505 8.884 3.998 1.00 0.00 C ATOM 1875 O SER B 103 -3.853 9.750 4.581 1.00 0.00 O ATOM 1876 CB SER B 103 -6.615 9.532 2.818 1.00 0.00 C ATOM 1877 OG SER B 103 -6.232 10.894 2.732 1.00 0.00 O ATOM 0 H SER B 103 -5.764 10.074 5.763 1.00 0.00 H new ATOM 0 HA SER B 103 -6.370 7.839 4.116 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.276 8.999 1.930 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.702 9.457 2.839 1.00 0.00 H new ATOM 0 HG SER B 103 -6.617 11.292 1.923 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.942 7.918 3.278 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.492 7.819 3.136 1.00 0.00 C ATOM 1885 C PHE B 104 -2.120 6.914 1.965 1.00 0.00 C ATOM 1886 O PHE B 104 -2.422 5.721 1.971 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.872 7.284 4.429 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.371 7.241 4.409 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.372 8.382 4.675 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.297 6.062 4.126 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.753 8.344 4.661 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.679 6.019 4.109 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.407 7.162 4.376 1.00 0.00 C ATOM 0 H PHE B 104 -4.465 7.195 2.785 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.100 8.816 2.937 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.197 7.907 5.262 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.253 6.280 4.615 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.135 9.310 4.895 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.268 5.166 3.916 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.320 9.238 4.873 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.188 5.093 3.887 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.486 7.131 4.362 1.00 0.00 H new ATOM 1903 N SER B 105 -1.458 7.488 0.963 1.00 0.00 N ATOM 1904 CA SER B 105 -1.046 6.732 -0.214 1.00 0.00 C ATOM 1905 C SER B 105 0.403 7.041 -0.582 1.00 0.00 C ATOM 1906 O SER B 105 0.897 8.139 -0.326 1.00 0.00 O ATOM 1907 CB SER B 105 -1.963 7.047 -1.396 1.00 0.00 C ATOM 1908 OG SER B 105 -1.922 8.427 -1.718 1.00 0.00 O ATOM 0 H SER B 105 -1.196 8.474 0.944 1.00 0.00 H new ATOM 0 HA SER B 105 -1.123 5.671 0.023 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.660 6.459 -2.262 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.986 6.757 -1.155 1.00 0.00 H new ATOM 0 HG SER B 105 -2.515 8.603 -2.478 1.00 0.00 H new ATOM 1914 N CYS B 106 1.076 6.066 -1.186 1.00 0.00 N ATOM 1915 CA CYS B 106 2.469 6.232 -1.591 1.00 0.00 C ATOM 1916 C CYS B 106 2.764 5.459 -2.872 1.00 0.00 C ATOM 1917 O CYS B 106 2.131 4.440 -3.153 1.00 0.00 O ATOM 1918 CB CYS B 106 3.403 5.767 -0.473 1.00 0.00 C ATOM 1919 SG CYS B 106 3.245 6.718 1.071 1.00 0.00 S ATOM 0 H CYS B 106 0.680 5.152 -1.406 1.00 0.00 H new ATOM 0 HA CYS B 106 2.641 7.291 -1.784 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.204 4.716 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.433 5.833 -0.824 1.00 0.00 H new ATOM 1924 N ALA B 107 3.729 5.950 -3.645 1.00 0.00 N ATOM 1925 CA ALA B 107 4.107 5.307 -4.899 1.00 0.00 C ATOM 1926 C ALA B 107 5.286 4.357 -4.701 1.00 0.00 C ATOM 1927 O ALA B 107 6.224 4.660 -3.964 1.00 0.00 O ATOM 1928 CB ALA B 107 4.442 6.355 -5.948 1.00 0.00 C ATOM 0 H ALA B 107 4.263 6.791 -3.425 1.00 0.00 H new ATOM 0 HA ALA B 107 3.257 4.719 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.722 5.862 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.572 6.988 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.273 6.968 -5.598 1.00 0.00 H new ATOM 1934 N ILE B 108 5.229 3.209 -5.369 1.00 0.00 N ATOM 1935 CA ILE B 108 6.286 2.207 -5.274 1.00 0.00 C ATOM 1936 C ILE B 108 6.474 1.483 -6.601 1.00 0.00 C ATOM 1937 O ILE B 108 5.566 0.811 -7.086 1.00 0.00 O ATOM 1938 CB ILE B 108 5.976 1.167 -4.177 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.955 1.837 -2.803 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.997 0.035 -4.207 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.384 0.962 -1.708 1.00 0.00 C ATOM 0 H ILE B 108 4.459 2.949 -5.985 1.00 0.00 H new ATOM 0 HA ILE B 108 7.203 2.736 -5.016 1.00 0.00 H new ATOM 0 HB ILE B 108 4.991 0.742 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.971 2.125 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.370 2.755 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.762 -0.688 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.966 -0.457 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.995 0.440 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.402 1.504 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.356 0.695 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.982 0.055 -1.617 1.00 0.00 H new ATOM 1953 N GLN B 109 7.659 1.621 -7.181 1.00 0.00 N ATOM 1954 CA GLN B 109 7.962 0.981 -8.457 1.00 0.00 C ATOM 1955 C GLN B 109 9.238 0.153 -8.367 1.00 0.00 C ATOM 1956 O GLN B 109 10.202 0.551 -7.716 1.00 0.00 O ATOM 1957 CB GLN B 109 8.098 2.034 -9.560 1.00 0.00 C ATOM 1958 CG GLN B 109 6.834 2.845 -9.787 1.00 0.00 C ATOM 1959 CD GLN B 109 6.977 3.858 -10.906 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.354 4.917 -10.883 1.00 0.00 O ATOM 1961 NE2 GLN B 109 7.801 3.533 -11.899 1.00 0.00 N ATOM 0 H GLN B 109 8.425 2.169 -6.790 1.00 0.00 H new ATOM 0 HA GLN B 109 7.137 0.312 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.913 2.711 -9.305 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.374 1.539 -10.491 1.00 0.00 H new ATOM 0 HG2 GLN B 109 6.011 2.169 -10.019 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.571 3.364 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.299 2.643 -11.878 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.935 4.174 -12.681 1.00 0.00 H new ATOM 1970 N VAL B 110 9.236 -1.004 -9.023 1.00 0.00 N ATOM 1971 CA VAL B 110 10.395 -1.887 -9.022 1.00 0.00 C ATOM 1972 C VAL B 110 10.898 -2.106 -10.447 1.00 0.00 C ATOM 1973 O VAL B 110 10.323 -1.578 -11.399 1.00 0.00 O ATOM 1974 CB VAL B 110 10.066 -3.246 -8.368 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.330 -3.932 -7.870 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.084 -3.062 -7.220 1.00 0.00 C ATOM 0 H VAL B 110 8.443 -1.351 -9.562 1.00 0.00 H new ATOM 0 HA VAL B 110 11.177 -1.406 -8.434 1.00 0.00 H new ATOM 0 HB VAL B 110 9.607 -3.880 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.070 -4.887 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.006 -4.102 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.821 -3.299 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.864 -4.030 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.522 -2.405 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.162 -2.619 -7.597 1.00 0.00 H new ATOM 1986 N ARG B 111 11.977 -2.875 -10.583 1.00 0.00 N ATOM 1987 CA ARG B 111 12.568 -3.167 -11.888 1.00 0.00 C ATOM 1988 C ARG B 111 11.500 -3.423 -12.949 1.00 0.00 C ATOM 1989 O ARG B 111 11.137 -2.465 -13.663 1.00 0.00 O ATOM 1990 CB ARG B 111 13.494 -4.382 -11.781 1.00 0.00 C ATOM 1991 CG ARG B 111 14.500 -4.294 -10.656 1.00 0.00 C ATOM 1992 CD ARG B 111 15.359 -3.061 -10.801 1.00 0.00 C ATOM 1993 NE ARG B 111 16.352 -2.949 -9.738 1.00 0.00 N ATOM 1994 CZ ARG B 111 17.124 -1.882 -9.557 1.00 0.00 C ATOM 1995 NH1 ARG B 111 17.016 -0.836 -10.365 1.00 0.00 N ATOM 1996 NH2 ARG B 111 18.005 -1.857 -8.565 1.00 0.00 N ATOM 1997 OXT ARG B 111 11.038 -4.577 -13.059 1.00 0.00 O ATOM 0 H ARG B 111 12.463 -3.310 -9.799 1.00 0.00 H new ATOM 0 HA ARG B 111 13.141 -2.292 -12.195 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.887 -5.277 -11.642 1.00 0.00 H new ATOM 0 HB3 ARG B 111 14.028 -4.502 -12.723 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.980 -4.270 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG B 111 15.130 -5.184 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG B 111 15.865 -3.085 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.723 -2.176 -10.796 1.00 0.00 H new ATOM 0 HE ARG B 111 16.460 -3.735 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.339 -0.849 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.610 -0.019 -10.223 1.00 0.00 H new ATOM 0 HH21 ARG B 111 18.091 -2.658 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.596 -1.037 -8.428 1.00 0.00 H new