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 180:sc= -0.04 USER MOD Set 1.2: B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.187 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -91:sc= -4.67! USER MOD Single : B 20 GLN : amide:sc= -1 K(o=-1,f=-0.38) USER MOD Single : B 22 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.9!) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -69:sc= 0.986 USER MOD Single : B 42 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.98) USER MOD Single : B 46 SER OG : rot -152:sc= 0.991 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -91:sc= 0.549 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -170:sc= -0.0618 USER MOD Single : B 96 LYS NZ :NH3+ 168:sc= -0.0485 (180deg=-0.306) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 170:sc= -0.29 USER MOD Single : B 109 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.836 1.248 5.200 1.00 0.00 N ATOM 382 CA VAL B 5 13.514 2.657 5.371 1.00 0.00 C ATOM 383 C VAL B 5 12.119 2.834 5.958 1.00 0.00 C ATOM 384 O VAL B 5 11.188 2.102 5.615 1.00 0.00 O ATOM 385 CB VAL B 5 13.595 3.404 4.025 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.455 4.903 4.234 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.904 3.077 3.316 1.00 0.00 C ATOM 0 HA VAL B 5 14.246 3.076 6.062 1.00 0.00 H new ATOM 0 HB VAL B 5 12.770 3.072 3.395 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.515 5.412 3.272 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.492 5.117 4.698 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.257 5.257 4.882 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.947 3.612 2.367 1.00 0.00 H new ATOM 0 HG22 VAL B 5 15.743 3.381 3.942 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.959 2.004 3.131 1.00 0.00 H new ATOM 397 N THR B 6 11.983 3.811 6.849 1.00 0.00 N ATOM 398 CA THR B 6 10.707 4.088 7.490 1.00 0.00 C ATOM 399 C THR B 6 10.005 5.275 6.830 1.00 0.00 C ATOM 400 O THR B 6 10.623 6.045 6.090 1.00 0.00 O ATOM 401 CB THR B 6 10.899 4.386 8.988 1.00 0.00 C ATOM 402 OG1 THR B 6 11.876 3.496 9.547 1.00 0.00 O ATOM 403 CG2 THR B 6 9.588 4.230 9.738 1.00 0.00 C ATOM 0 H THR B 6 12.744 4.424 7.142 1.00 0.00 H new ATOM 0 HA THR B 6 10.088 3.198 7.375 1.00 0.00 H new ATOM 0 HB THR B 6 11.244 5.415 9.089 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.992 3.695 10.500 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.746 4.445 10.795 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.852 4.924 9.332 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.224 3.209 9.626 1.00 0.00 H new ATOM 411 N LEU B 7 8.711 5.415 7.102 1.00 0.00 N ATOM 412 CA LEU B 7 7.919 6.507 6.539 1.00 0.00 C ATOM 413 C LEU B 7 6.981 7.093 7.587 1.00 0.00 C ATOM 414 O LEU B 7 6.475 6.375 8.451 1.00 0.00 O ATOM 415 CB LEU B 7 7.113 6.014 5.334 1.00 0.00 C ATOM 416 CG LEU B 7 7.940 5.699 4.085 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.078 5.009 3.034 1.00 0.00 C ATOM 418 CD2 LEU B 7 8.555 6.973 3.519 1.00 0.00 C ATOM 0 H LEU B 7 8.187 4.786 7.710 1.00 0.00 H new ATOM 0 HA LEU B 7 8.605 7.289 6.212 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.566 5.117 5.625 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.371 6.771 5.078 1.00 0.00 H new ATOM 0 HG LEU B 7 8.747 5.022 4.366 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.682 4.792 2.153 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.683 4.078 3.441 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.251 5.662 2.755 1.00 0.00 H new ATOM 0 HD21 LEU B 7 9.140 6.732 2.631 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.763 7.672 3.252 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.203 7.428 4.268 1.00 0.00 H new ATOM 430 N ASP B 8 6.753 8.402 7.504 1.00 0.00 N ATOM 431 CA ASP B 8 5.874 9.084 8.448 1.00 0.00 C ATOM 432 C ASP B 8 4.981 10.097 7.730 1.00 0.00 C ATOM 433 O ASP B 8 4.052 10.646 8.322 1.00 0.00 O ATOM 434 CB ASP B 8 6.704 9.789 9.528 1.00 0.00 C ATOM 435 CG ASP B 8 5.842 10.446 10.587 1.00 0.00 C ATOM 436 OD1 ASP B 8 5.531 11.648 10.439 1.00 0.00 O ATOM 437 OD2 ASP B 8 5.477 9.756 11.565 1.00 0.00 O ATOM 0 H ASP B 8 7.164 9.009 6.795 1.00 0.00 H new ATOM 0 HA ASP B 8 5.235 8.337 8.919 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.367 9.065 10.002 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.337 10.543 9.060 1.00 0.00 H new ATOM 442 N ASP B 9 5.267 10.339 6.454 1.00 0.00 N ATOM 443 CA ASP B 9 4.489 11.287 5.660 1.00 0.00 C ATOM 444 C ASP B 9 4.076 10.674 4.322 1.00 0.00 C ATOM 445 O ASP B 9 4.806 9.866 3.748 1.00 0.00 O ATOM 446 CB ASP B 9 5.294 12.569 5.422 1.00 0.00 C ATOM 447 CG ASP B 9 5.670 13.267 6.715 1.00 0.00 C ATOM 448 OD1 ASP B 9 4.886 14.125 7.177 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.747 12.956 7.269 1.00 0.00 O ATOM 0 H ASP B 9 6.031 9.892 5.947 1.00 0.00 H new ATOM 0 HA ASP B 9 3.586 11.532 6.219 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.200 12.327 4.867 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.712 13.250 4.801 1.00 0.00 H new ATOM 454 N ALA B 10 2.901 11.067 3.834 1.00 0.00 N ATOM 455 CA ALA B 10 2.389 10.557 2.564 1.00 0.00 C ATOM 456 C ALA B 10 3.055 11.257 1.384 1.00 0.00 C ATOM 457 O ALA B 10 3.439 10.615 0.405 1.00 0.00 O ATOM 458 CB ALA B 10 0.878 10.727 2.496 1.00 0.00 C ATOM 0 H ALA B 10 2.287 11.736 4.298 1.00 0.00 H new ATOM 0 HA ALA B 10 2.627 9.495 2.505 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.511 10.343 1.544 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.413 10.176 3.313 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.627 11.784 2.581 1.00 0.00 H new ATOM 464 N ASP B 11 3.188 12.579 1.481 1.00 0.00 N ATOM 465 CA ASP B 11 3.810 13.368 0.422 1.00 0.00 C ATOM 466 C ASP B 11 5.286 13.012 0.278 1.00 0.00 C ATOM 467 O ASP B 11 5.879 13.200 -0.786 1.00 0.00 O ATOM 468 CB ASP B 11 3.661 14.865 0.716 1.00 0.00 C ATOM 469 CG ASP B 11 4.290 15.733 -0.359 1.00 0.00 C ATOM 470 OD1 ASP B 11 3.588 16.069 -1.340 1.00 0.00 O ATOM 471 OD2 ASP B 11 5.486 16.078 -0.221 1.00 0.00 O ATOM 0 H ASP B 11 2.873 13.125 2.283 1.00 0.00 H new ATOM 0 HA ASP B 11 3.304 13.137 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.603 15.111 0.804 1.00 0.00 H new ATOM 0 HB3 ASP B 11 4.122 15.091 1.677 1.00 0.00 H new ATOM 476 N ASP B 12 5.874 12.496 1.355 1.00 0.00 N ATOM 477 CA ASP B 12 7.281 12.111 1.351 1.00 0.00 C ATOM 478 C ASP B 12 7.506 10.878 0.481 1.00 0.00 C ATOM 479 O ASP B 12 8.628 10.606 0.053 1.00 0.00 O ATOM 480 CB ASP B 12 7.762 11.836 2.781 1.00 0.00 C ATOM 481 CG ASP B 12 9.231 11.463 2.838 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.541 10.254 2.738 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.073 12.377 2.983 1.00 0.00 O ATOM 0 H ASP B 12 5.396 12.335 2.242 1.00 0.00 H new ATOM 0 HA ASP B 12 7.856 12.938 0.934 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.591 12.720 3.395 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.169 11.029 3.212 1.00 0.00 H new ATOM 488 N CYS B 13 6.433 10.133 0.223 1.00 0.00 N ATOM 489 CA CYS B 13 6.516 8.927 -0.597 1.00 0.00 C ATOM 490 C CYS B 13 6.803 9.275 -2.055 1.00 0.00 C ATOM 491 O CYS B 13 6.506 10.381 -2.516 1.00 0.00 O ATOM 492 CB CYS B 13 5.222 8.115 -0.501 1.00 0.00 C ATOM 493 SG CYS B 13 5.018 7.228 1.081 1.00 0.00 S ATOM 0 H CYS B 13 5.497 10.343 0.570 1.00 0.00 H new ATOM 0 HA CYS B 13 7.340 8.324 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.374 8.785 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.197 7.392 -1.317 1.00 0.00 H new ATOM 498 N SER B 14 7.382 8.319 -2.772 1.00 0.00 N ATOM 499 CA SER B 14 7.718 8.507 -4.178 1.00 0.00 C ATOM 500 C SER B 14 7.741 7.163 -4.903 1.00 0.00 C ATOM 501 O SER B 14 7.875 6.118 -4.264 1.00 0.00 O ATOM 502 CB SER B 14 9.080 9.186 -4.307 1.00 0.00 C ATOM 503 OG SER B 14 9.157 10.349 -3.498 1.00 0.00 O ATOM 0 H SER B 14 7.629 7.402 -2.401 1.00 0.00 H new ATOM 0 HA SER B 14 6.958 9.141 -4.634 1.00 0.00 H new ATOM 0 HB2 SER B 14 9.865 8.487 -4.018 1.00 0.00 H new ATOM 0 HB3 SER B 14 9.258 9.453 -5.349 1.00 0.00 H new ATOM 0 HG SER B 14 10.040 10.761 -3.600 1.00 0.00 H new ATOM 509 N PRO B 15 7.609 7.168 -6.243 1.00 0.00 N ATOM 510 CA PRO B 15 7.629 5.934 -7.034 1.00 0.00 C ATOM 511 C PRO B 15 8.910 5.137 -6.801 1.00 0.00 C ATOM 512 O PRO B 15 9.905 5.332 -7.500 1.00 0.00 O ATOM 513 CB PRO B 15 7.546 6.420 -8.489 1.00 0.00 C ATOM 514 CG PRO B 15 7.884 7.876 -8.441 1.00 0.00 C ATOM 515 CD PRO B 15 7.434 8.360 -7.092 1.00 0.00 C ATOM 0 HA PRO B 15 6.814 5.262 -6.765 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.243 5.876 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.549 6.261 -8.900 1.00 0.00 H new ATOM 0 HG2 PRO B 15 8.954 8.033 -8.575 1.00 0.00 H new ATOM 0 HG3 PRO B 15 7.380 8.420 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO B 15 8.036 9.198 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO B 15 6.397 8.697 -7.108 1.00 0.00 H new ATOM 523 N LEU B 16 8.875 4.254 -5.801 1.00 0.00 N ATOM 524 CA LEU B 16 10.028 3.420 -5.456 1.00 0.00 C ATOM 525 C LEU B 16 10.726 2.899 -6.703 1.00 0.00 C ATOM 526 O LEU B 16 10.282 1.923 -7.308 1.00 0.00 O ATOM 527 CB LEU B 16 9.591 2.233 -4.586 1.00 0.00 C ATOM 528 CG LEU B 16 10.733 1.463 -3.915 1.00 0.00 C ATOM 529 CD1 LEU B 16 11.515 2.379 -2.988 1.00 0.00 C ATOM 530 CD2 LEU B 16 10.188 0.263 -3.152 1.00 0.00 C ATOM 0 H LEU B 16 8.056 4.098 -5.213 1.00 0.00 H new ATOM 0 HA LEU B 16 10.727 4.043 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU B 16 8.916 2.599 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.021 1.540 -5.204 1.00 0.00 H new ATOM 0 HG LEU B 16 11.409 1.098 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU B 16 12.323 1.818 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.933 3.206 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.850 2.771 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.012 -0.273 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU B 16 9.492 0.605 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU B 16 9.669 -0.402 -3.842 1.00 0.00 H new ATOM 542 N LYS B 17 11.823 3.556 -7.082 1.00 0.00 N ATOM 543 CA LYS B 17 12.582 3.149 -8.258 1.00 0.00 C ATOM 544 C LYS B 17 13.412 1.906 -7.948 1.00 0.00 C ATOM 545 O LYS B 17 14.491 1.998 -7.355 1.00 0.00 O ATOM 546 CB LYS B 17 13.490 4.291 -8.739 1.00 0.00 C ATOM 547 CG LYS B 17 14.309 4.942 -7.632 1.00 0.00 C ATOM 548 CD LYS B 17 13.620 6.180 -7.078 1.00 0.00 C ATOM 549 CE LYS B 17 14.437 6.823 -5.965 1.00 0.00 C ATOM 550 NZ LYS B 17 13.767 8.034 -5.413 1.00 0.00 N ATOM 0 H LYS B 17 12.202 4.367 -6.593 1.00 0.00 H new ATOM 0 HA LYS B 17 11.879 2.910 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.169 3.905 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS B 17 12.875 5.053 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS B 17 14.470 4.224 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS B 17 15.292 5.214 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.465 6.901 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS B 17 12.635 5.910 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS B 17 14.595 6.099 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS B 17 15.421 7.095 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 14.355 8.442 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 13.639 8.736 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 12.839 7.771 -5.025 1.00 0.00 H new ATOM 564 N LEU B 18 12.895 0.745 -8.345 1.00 0.00 N ATOM 565 CA LEU B 18 13.574 -0.526 -8.105 1.00 0.00 C ATOM 566 C LEU B 18 13.700 -0.795 -6.608 1.00 0.00 C ATOM 567 O LEU B 18 13.560 0.114 -5.787 1.00 0.00 O ATOM 568 CB LEU B 18 14.959 -0.526 -8.755 1.00 0.00 C ATOM 569 CG LEU B 18 15.704 -1.857 -8.720 1.00 0.00 C ATOM 570 CD1 LEU B 18 14.856 -2.972 -9.324 1.00 0.00 C ATOM 571 CD2 LEU B 18 17.035 -1.741 -9.449 1.00 0.00 C ATOM 0 H LEU B 18 12.005 0.659 -8.836 1.00 0.00 H new ATOM 0 HA LEU B 18 12.976 -1.319 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU B 18 14.853 -0.217 -9.795 1.00 0.00 H new ATOM 0 HB3 LEU B 18 15.573 0.227 -8.260 1.00 0.00 H new ATOM 0 HG LEU B 18 15.901 -2.110 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU B 18 15.409 -3.910 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU B 18 13.931 -3.074 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU B 18 14.621 -2.730 -10.360 1.00 0.00 H new ATOM 0 HD21 LEU B 18 17.553 -2.699 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU B 18 16.858 -1.461 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU B 18 17.648 -0.979 -8.968 1.00 0.00 H new ATOM 583 N THR B 19 13.966 -2.050 -6.257 1.00 0.00 N ATOM 584 CA THR B 19 14.108 -2.448 -4.862 1.00 0.00 C ATOM 585 C THR B 19 14.544 -3.911 -4.734 1.00 0.00 C ATOM 586 O THR B 19 15.740 -4.202 -4.693 1.00 0.00 O ATOM 587 CB THR B 19 12.799 -2.223 -4.079 1.00 0.00 C ATOM 588 OG1 THR B 19 12.754 -3.075 -2.928 1.00 0.00 O ATOM 589 CG2 THR B 19 11.577 -2.471 -4.960 1.00 0.00 C ATOM 0 H THR B 19 14.088 -2.812 -6.924 1.00 0.00 H new ATOM 0 HA THR B 19 14.886 -1.818 -4.432 1.00 0.00 H new ATOM 0 HB THR B 19 12.779 -1.183 -3.755 1.00 0.00 H new ATOM 0 HG1 THR B 19 12.315 -3.919 -3.163 1.00 0.00 H new ATOM 0 HG21 THR B 19 10.670 -2.304 -4.379 1.00 0.00 H new ATOM 0 HG22 THR B 19 11.595 -1.787 -5.809 1.00 0.00 H new ATOM 0 HG23 THR B 19 11.592 -3.499 -5.322 1.00 0.00 H new ATOM 597 N GLN B 20 13.571 -4.826 -4.680 1.00 0.00 N ATOM 598 CA GLN B 20 13.857 -6.254 -4.554 1.00 0.00 C ATOM 599 C GLN B 20 14.879 -6.514 -3.448 1.00 0.00 C ATOM 600 O GLN B 20 16.086 -6.547 -3.692 1.00 0.00 O ATOM 601 CB GLN B 20 14.356 -6.803 -5.886 1.00 0.00 C ATOM 602 CG GLN B 20 13.238 -7.087 -6.879 1.00 0.00 C ATOM 603 CD GLN B 20 13.753 -7.422 -8.266 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.836 -7.985 -8.418 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.975 -7.070 -9.286 1.00 0.00 N ATOM 0 H GLN B 20 12.577 -4.600 -4.722 1.00 0.00 H new ATOM 0 HA GLN B 20 12.935 -6.768 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.051 -6.089 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.914 -7.722 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.634 -7.916 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.583 -6.218 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.084 -6.605 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.269 -7.265 -10.243 1.00 0.00 H new ATOM 614 N GLY B 21 14.382 -6.700 -2.228 1.00 0.00 N ATOM 615 CA GLY B 21 15.253 -6.945 -1.094 1.00 0.00 C ATOM 616 C GLY B 21 15.149 -5.848 -0.052 1.00 0.00 C ATOM 617 O GLY B 21 15.854 -5.868 0.960 1.00 0.00 O ATOM 0 H GLY B 21 13.387 -6.685 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.997 -7.902 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.284 -7.022 -1.439 1.00 0.00 H new ATOM 621 N GLN B 22 14.266 -4.885 -0.306 1.00 0.00 N ATOM 622 CA GLN B 22 14.057 -3.773 0.602 1.00 0.00 C ATOM 623 C GLN B 22 12.756 -3.953 1.374 1.00 0.00 C ATOM 624 O GLN B 22 11.719 -4.288 0.795 1.00 0.00 O ATOM 625 CB GLN B 22 14.016 -2.453 -0.175 1.00 0.00 C ATOM 626 CG GLN B 22 15.130 -2.307 -1.205 1.00 0.00 C ATOM 627 CD GLN B 22 15.376 -0.860 -1.591 1.00 0.00 C ATOM 628 OE1 GLN B 22 15.795 -0.563 -2.710 1.00 0.00 O ATOM 629 NE2 GLN B 22 15.110 0.050 -0.659 1.00 0.00 N ATOM 0 H GLN B 22 13.682 -4.858 -1.142 1.00 0.00 H new ATOM 0 HA GLN B 22 14.887 -3.747 1.308 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.054 -2.370 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.077 -1.625 0.531 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.049 -2.735 -0.805 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.874 -2.879 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN B 22 14.764 -0.242 0.255 1.00 0.00 H new ATOM 0 HE22 GLN B 22 15.252 1.040 -0.858 1.00 0.00 H new ATOM 638 N GLU B 23 12.820 -3.739 2.681 1.00 0.00 N ATOM 639 CA GLU B 23 11.645 -3.875 3.530 1.00 0.00 C ATOM 640 C GLU B 23 11.023 -2.508 3.804 1.00 0.00 C ATOM 641 O GLU B 23 11.491 -1.486 3.298 1.00 0.00 O ATOM 642 CB GLU B 23 12.012 -4.556 4.853 1.00 0.00 C ATOM 643 CG GLU B 23 13.459 -5.011 4.927 1.00 0.00 C ATOM 644 CD GLU B 23 13.766 -5.793 6.192 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.588 -7.031 6.185 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.186 -5.167 7.191 1.00 0.00 O ATOM 0 H GLU B 23 13.671 -3.471 3.175 1.00 0.00 H new ATOM 0 HA GLU B 23 10.917 -4.495 3.007 1.00 0.00 H new ATOM 0 HB2 GLU B 23 11.816 -3.865 5.673 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.362 -5.418 5.000 1.00 0.00 H new ATOM 0 HG2 GLU B 23 13.685 -5.630 4.059 1.00 0.00 H new ATOM 0 HG3 GLU B 23 14.112 -4.140 4.876 1.00 0.00 H new ATOM 653 N LEU B 24 9.962 -2.498 4.606 1.00 0.00 N ATOM 654 CA LEU B 24 9.276 -1.254 4.947 1.00 0.00 C ATOM 655 C LEU B 24 8.402 -1.441 6.185 1.00 0.00 C ATOM 656 O LEU B 24 7.405 -2.165 6.149 1.00 0.00 O ATOM 657 CB LEU B 24 8.421 -0.769 3.771 1.00 0.00 C ATOM 658 CG LEU B 24 7.486 0.406 4.083 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.278 1.611 4.577 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.663 0.774 2.854 1.00 0.00 C ATOM 0 H LEU B 24 9.559 -3.333 5.031 1.00 0.00 H new ATOM 0 HA LEU B 24 10.033 -0.501 5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.084 -0.478 2.956 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.821 -1.604 3.411 1.00 0.00 H new ATOM 0 HG LEU B 24 6.804 0.098 4.876 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.594 2.432 4.792 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.820 1.343 5.484 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.987 1.920 3.809 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.005 1.609 3.093 1.00 0.00 H new ATOM 0 HD22 LEU B 24 7.331 1.059 2.041 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.064 -0.083 2.547 1.00 0.00 H new ATOM 672 N VAL B 25 8.783 -0.783 7.277 1.00 0.00 N ATOM 673 CA VAL B 25 8.034 -0.874 8.524 1.00 0.00 C ATOM 674 C VAL B 25 7.340 0.449 8.842 1.00 0.00 C ATOM 675 O VAL B 25 7.944 1.358 9.416 1.00 0.00 O ATOM 676 CB VAL B 25 8.949 -1.265 9.706 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.142 -1.406 10.989 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.701 -2.552 9.396 1.00 0.00 C ATOM 0 H VAL B 25 9.606 -0.182 7.322 1.00 0.00 H new ATOM 0 HA VAL B 25 7.283 -1.652 8.388 1.00 0.00 H new ATOM 0 HB VAL B 25 9.679 -0.469 9.852 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.806 -1.682 11.808 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.656 -0.458 11.219 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.385 -2.180 10.860 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.340 -2.812 10.240 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.987 -3.357 9.220 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.314 -2.410 8.506 1.00 0.00 H new ATOM 688 N LEU B 26 6.070 0.550 8.458 1.00 0.00 N ATOM 689 CA LEU B 26 5.290 1.760 8.698 1.00 0.00 C ATOM 690 C LEU B 26 4.918 1.889 10.173 1.00 0.00 C ATOM 691 O LEU B 26 4.866 0.895 10.899 1.00 0.00 O ATOM 692 CB LEU B 26 4.020 1.752 7.838 1.00 0.00 C ATOM 693 CG LEU B 26 4.255 1.807 6.326 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.948 1.596 5.574 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.892 3.134 5.932 1.00 0.00 C ATOM 0 H LEU B 26 5.559 -0.192 7.979 1.00 0.00 H new ATOM 0 HA LEU B 26 5.904 2.617 8.422 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.450 0.852 8.068 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.401 2.603 8.124 1.00 0.00 H new ATOM 0 HG LEU B 26 4.940 1.004 6.055 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.135 1.638 4.501 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.533 0.622 5.832 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.239 2.377 5.850 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.052 3.155 4.854 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.232 3.953 6.217 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.849 3.244 6.443 1.00 0.00 H new ATOM 707 N THR B 27 4.662 3.121 10.605 1.00 0.00 N ATOM 708 CA THR B 27 4.292 3.386 11.991 1.00 0.00 C ATOM 709 C THR B 27 3.464 4.662 12.099 1.00 0.00 C ATOM 710 O THR B 27 3.977 5.767 11.899 1.00 0.00 O ATOM 711 CB THR B 27 5.539 3.513 12.895 1.00 0.00 C ATOM 712 OG1 THR B 27 6.338 2.325 12.799 1.00 0.00 O ATOM 713 CG2 THR B 27 5.139 3.740 14.345 1.00 0.00 C ATOM 0 H THR B 27 4.704 3.951 10.014 1.00 0.00 H new ATOM 0 HA THR B 27 3.697 2.538 12.330 1.00 0.00 H new ATOM 0 HB THR B 27 6.118 4.372 12.555 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.127 2.414 13.373 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.035 3.826 14.960 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.556 4.658 14.422 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.539 2.899 14.693 1.00 0.00 H new ATOM 721 N LEU B 28 2.181 4.505 12.414 1.00 0.00 N ATOM 722 CA LEU B 28 1.282 5.646 12.546 1.00 0.00 C ATOM 723 C LEU B 28 0.463 5.549 13.835 1.00 0.00 C ATOM 724 O LEU B 28 -0.031 4.473 14.182 1.00 0.00 O ATOM 725 CB LEU B 28 0.346 5.728 11.334 1.00 0.00 C ATOM 726 CG LEU B 28 1.048 5.875 9.981 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.036 5.785 8.844 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.812 7.192 9.914 1.00 0.00 C ATOM 0 H LEU B 28 1.742 3.600 12.582 1.00 0.00 H new ATOM 0 HA LEU B 28 1.887 6.552 12.590 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.272 4.830 11.310 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.327 6.574 11.471 1.00 0.00 H new ATOM 0 HG LEU B 28 1.762 5.059 9.873 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.551 5.891 7.889 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.466 4.818 8.880 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.701 6.581 8.949 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.304 7.278 8.945 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.118 8.022 10.044 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.561 7.219 10.705 1.00 0.00 H new ATOM 740 N PRO B 29 0.309 6.672 14.563 1.00 0.00 N ATOM 741 CA PRO B 29 -0.454 6.703 15.816 1.00 0.00 C ATOM 742 C PRO B 29 -1.929 6.359 15.607 1.00 0.00 C ATOM 743 O PRO B 29 -2.624 7.013 14.827 1.00 0.00 O ATOM 744 CB PRO B 29 -0.311 8.153 16.303 1.00 0.00 C ATOM 745 CG PRO B 29 0.856 8.707 15.553 1.00 0.00 C ATOM 746 CD PRO B 29 0.861 7.999 14.229 1.00 0.00 C ATOM 0 HA PRO B 29 -0.082 5.966 16.528 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.216 8.727 16.102 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.141 8.192 17.379 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.760 9.785 15.420 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.787 8.534 16.093 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.248 8.517 13.491 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.866 7.926 13.814 1.00 0.00 H new ATOM 754 N SER B 30 -2.397 5.329 16.311 1.00 0.00 N ATOM 755 CA SER B 30 -3.788 4.898 16.205 1.00 0.00 C ATOM 756 C SER B 30 -4.126 3.886 17.298 1.00 0.00 C ATOM 757 O SER B 30 -3.552 2.797 17.353 1.00 0.00 O ATOM 758 CB SER B 30 -4.060 4.287 14.827 1.00 0.00 C ATOM 759 OG SER B 30 -5.401 3.840 14.720 1.00 0.00 O ATOM 0 H SER B 30 -1.833 4.779 16.959 1.00 0.00 H new ATOM 0 HA SER B 30 -4.422 5.775 16.333 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.857 5.026 14.052 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.381 3.452 14.656 1.00 0.00 H new ATOM 0 HG SER B 30 -5.548 3.456 13.830 1.00 0.00 H new ATOM 765 N ASN B 31 -5.062 4.254 18.167 1.00 0.00 N ATOM 766 CA ASN B 31 -5.477 3.377 19.260 1.00 0.00 C ATOM 767 C ASN B 31 -6.537 2.378 18.785 1.00 0.00 C ATOM 768 O ASN B 31 -7.587 2.775 18.274 1.00 0.00 O ATOM 769 CB ASN B 31 -6.028 4.209 20.422 1.00 0.00 C ATOM 770 CG ASN B 31 -5.007 5.192 20.967 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.240 4.870 21.877 1.00 0.00 O ATOM 772 ND2 ASN B 31 -4.993 6.401 20.411 1.00 0.00 N ATOM 0 H ASN B 31 -5.547 5.151 18.137 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.605 2.819 19.600 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.911 4.754 20.088 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.349 3.542 21.222 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.329 7.104 20.736 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.646 6.625 19.660 1.00 0.00 H new ATOM 779 N PRO B 32 -6.279 1.064 18.949 1.00 0.00 N ATOM 780 CA PRO B 32 -7.222 0.016 18.532 1.00 0.00 C ATOM 781 C PRO B 32 -8.421 -0.094 19.469 1.00 0.00 C ATOM 782 O PRO B 32 -9.322 -0.907 19.250 1.00 0.00 O ATOM 783 CB PRO B 32 -6.377 -1.256 18.595 1.00 0.00 C ATOM 784 CG PRO B 32 -5.389 -0.976 19.671 1.00 0.00 C ATOM 785 CD PRO B 32 -5.056 0.488 19.548 1.00 0.00 C ATOM 0 HA PRO B 32 -7.649 0.216 17.549 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.986 -2.129 18.829 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.885 -1.456 17.643 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.805 -1.202 20.653 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.497 -1.592 19.553 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.835 0.933 20.518 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.183 0.651 18.916 1.00 0.00 H new ATOM 793 N THR B 33 -8.424 0.732 20.513 1.00 0.00 N ATOM 794 CA THR B 33 -9.512 0.729 21.484 1.00 0.00 C ATOM 795 C THR B 33 -10.629 1.680 21.065 1.00 0.00 C ATOM 796 O THR B 33 -11.693 1.713 21.683 1.00 0.00 O ATOM 797 CB THR B 33 -9.010 1.128 22.887 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.439 2.443 22.849 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.974 0.133 23.397 1.00 0.00 C ATOM 0 H THR B 33 -7.687 1.410 20.707 1.00 0.00 H new ATOM 0 HA THR B 33 -9.902 -0.288 21.520 1.00 0.00 H new ATOM 0 HB THR B 33 -9.861 1.122 23.568 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.124 2.689 23.744 1.00 0.00 H new ATOM 0 HG21 THR B 33 -7.635 0.436 24.388 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.420 -0.860 23.454 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.124 0.110 22.714 1.00 0.00 H new ATOM 807 N THR B 34 -10.379 2.454 20.010 1.00 0.00 N ATOM 808 CA THR B 34 -11.366 3.406 19.509 1.00 0.00 C ATOM 809 C THR B 34 -12.262 2.763 18.451 1.00 0.00 C ATOM 810 O THR B 34 -13.483 2.712 18.603 1.00 0.00 O ATOM 811 CB THR B 34 -10.692 4.656 18.906 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.830 4.277 17.826 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.889 5.401 19.965 1.00 0.00 C ATOM 0 H THR B 34 -9.503 2.440 19.487 1.00 0.00 H new ATOM 0 HA THR B 34 -11.973 3.709 20.362 1.00 0.00 H new ATOM 0 HB THR B 34 -11.473 5.317 18.531 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.058 3.788 18.180 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.423 6.279 19.517 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.552 5.714 20.771 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.117 4.744 20.365 1.00 0.00 H new ATOM 821 N GLY B 35 -11.646 2.274 17.379 1.00 0.00 N ATOM 822 CA GLY B 35 -12.400 1.641 16.313 1.00 0.00 C ATOM 823 C GLY B 35 -11.828 1.948 14.944 1.00 0.00 C ATOM 824 O GLY B 35 -11.723 1.061 14.095 1.00 0.00 O ATOM 0 H GLY B 35 -10.637 2.305 17.230 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.408 0.562 16.468 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.436 1.976 16.355 1.00 0.00 H new ATOM 828 N PHE B 36 -11.455 3.208 14.730 1.00 0.00 N ATOM 829 CA PHE B 36 -10.892 3.631 13.458 1.00 0.00 C ATOM 830 C PHE B 36 -9.479 3.086 13.281 1.00 0.00 C ATOM 831 O PHE B 36 -8.517 3.616 13.843 1.00 0.00 O ATOM 832 CB PHE B 36 -10.879 5.155 13.368 1.00 0.00 C ATOM 833 CG PHE B 36 -12.251 5.765 13.286 1.00 0.00 C ATOM 834 CD1 PHE B 36 -12.904 6.188 14.432 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.886 5.913 12.061 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.167 6.748 14.358 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.147 6.472 11.978 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.789 6.889 13.130 1.00 0.00 C ATOM 0 H PHE B 36 -11.534 3.951 15.424 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.517 3.232 12.659 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.363 5.558 14.240 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.305 5.454 12.491 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.423 6.080 15.393 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.388 5.587 11.160 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.667 7.075 15.258 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.629 6.583 11.018 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.776 7.325 13.071 1.00 0.00 H new ATOM 848 N ARG B 37 -9.369 2.017 12.504 1.00 0.00 N ATOM 849 CA ARG B 37 -8.081 1.389 12.235 1.00 0.00 C ATOM 850 C ARG B 37 -7.547 1.802 10.869 1.00 0.00 C ATOM 851 O ARG B 37 -7.975 2.810 10.300 1.00 0.00 O ATOM 852 CB ARG B 37 -8.208 -0.135 12.289 1.00 0.00 C ATOM 853 CG ARG B 37 -8.191 -0.707 13.700 1.00 0.00 C ATOM 854 CD ARG B 37 -6.847 -0.485 14.381 1.00 0.00 C ATOM 855 NE ARG B 37 -5.752 -1.122 13.652 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.484 -1.100 14.058 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.151 -0.475 15.182 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.547 -1.702 13.338 1.00 0.00 N ATOM 0 H ARG B 37 -10.160 1.564 12.046 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.382 1.723 13.002 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.136 -0.430 11.799 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.392 -0.578 11.718 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.980 -0.242 14.291 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.408 -1.774 13.663 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.654 0.585 14.463 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -6.885 -0.880 15.396 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.971 -1.611 12.784 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.868 -0.009 15.738 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.178 -0.461 15.489 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.798 -2.182 12.473 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.576 -1.685 13.649 1.00 0.00 H new ATOM 872 N TRP B 38 -6.610 1.016 10.350 1.00 0.00 N ATOM 873 CA TRP B 38 -6.020 1.293 9.049 1.00 0.00 C ATOM 874 C TRP B 38 -6.352 0.185 8.051 1.00 0.00 C ATOM 875 O TRP B 38 -5.800 -0.914 8.121 1.00 0.00 O ATOM 876 CB TRP B 38 -4.501 1.454 9.170 1.00 0.00 C ATOM 877 CG TRP B 38 -4.086 2.685 9.920 1.00 0.00 C ATOM 878 CD1 TRP B 38 -3.803 2.776 11.255 1.00 0.00 C ATOM 879 CD2 TRP B 38 -3.906 4.002 9.380 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.456 4.069 11.576 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.511 4.839 10.443 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.036 4.554 8.101 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.250 6.199 10.264 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -3.777 5.902 7.924 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.388 6.712 9.002 1.00 0.00 C ATOM 0 H TRP B 38 -6.244 0.183 10.811 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.445 2.227 8.681 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.090 0.578 9.671 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.066 1.483 8.171 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.845 1.954 11.955 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.200 4.400 12.506 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.334 3.938 7.265 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -2.950 6.824 11.092 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -3.876 6.337 6.941 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.194 7.761 8.833 1.00 0.00 H new ATOM 896 N GLU B 39 -7.260 0.485 7.122 1.00 0.00 N ATOM 897 CA GLU B 39 -7.665 -0.482 6.106 1.00 0.00 C ATOM 898 C GLU B 39 -6.739 -0.406 4.897 1.00 0.00 C ATOM 899 O GLU B 39 -6.328 0.681 4.484 1.00 0.00 O ATOM 900 CB GLU B 39 -9.111 -0.227 5.673 1.00 0.00 C ATOM 901 CG GLU B 39 -9.635 -1.239 4.662 1.00 0.00 C ATOM 902 CD GLU B 39 -9.638 -2.658 5.201 1.00 0.00 C ATOM 903 OE1 GLU B 39 -10.645 -3.057 5.825 1.00 0.00 O ATOM 904 OE2 GLU B 39 -8.632 -3.372 5.001 1.00 0.00 O ATOM 0 H GLU B 39 -7.727 1.389 7.053 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.597 -1.481 6.538 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.753 -0.241 6.554 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.181 0.772 5.243 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.648 -0.963 4.370 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.022 -1.198 3.762 1.00 0.00 H new ATOM 911 N LEU B 40 -6.411 -1.565 4.331 1.00 0.00 N ATOM 912 CA LEU B 40 -5.531 -1.623 3.171 1.00 0.00 C ATOM 913 C LEU B 40 -6.323 -1.546 1.869 1.00 0.00 C ATOM 914 O LEU B 40 -6.905 -2.537 1.422 1.00 0.00 O ATOM 915 CB LEU B 40 -4.699 -2.910 3.197 1.00 0.00 C ATOM 916 CG LEU B 40 -3.726 -3.039 4.375 1.00 0.00 C ATOM 917 CD1 LEU B 40 -3.009 -4.382 4.328 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.722 -1.894 4.371 1.00 0.00 C ATOM 0 H LEU B 40 -6.741 -2.473 4.657 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.864 -0.762 3.217 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.379 -3.762 3.214 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.131 -2.974 2.269 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.298 -2.986 5.301 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.322 -4.457 5.171 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.741 -5.188 4.383 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.450 -4.463 3.396 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.041 -2.004 5.215 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.154 -1.912 3.441 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.252 -0.945 4.454 1.00 0.00 H new ATOM 930 N ARG B 41 -6.347 -0.358 1.266 1.00 0.00 N ATOM 931 CA ARG B 41 -7.056 -0.153 0.007 1.00 0.00 C ATOM 932 C ARG B 41 -6.300 -0.819 -1.137 1.00 0.00 C ATOM 933 O ARG B 41 -6.887 -1.180 -2.160 1.00 0.00 O ATOM 934 CB ARG B 41 -7.219 1.345 -0.277 1.00 0.00 C ATOM 935 CG ARG B 41 -8.033 2.083 0.774 1.00 0.00 C ATOM 936 CD ARG B 41 -9.504 1.695 0.716 1.00 0.00 C ATOM 937 NE ARG B 41 -10.092 1.972 -0.595 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.390 2.188 -0.793 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.231 2.171 0.232 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.848 2.426 -2.017 1.00 0.00 N ATOM 0 H ARG B 41 -5.884 0.475 1.630 1.00 0.00 H new ATOM 0 HA ARG B 41 -8.045 -0.604 0.089 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.232 1.802 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.697 1.471 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.636 1.861 1.765 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.933 3.158 0.624 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.608 0.634 0.943 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.054 2.241 1.483 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.471 2.001 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.883 1.992 1.174 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.226 2.337 0.078 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.204 2.443 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.843 2.591 -2.166 1.00 0.00 H new ATOM 954 N ASN B 42 -4.993 -0.978 -0.949 1.00 0.00 N ATOM 955 CA ASN B 42 -4.136 -1.599 -1.953 1.00 0.00 C ATOM 956 C ASN B 42 -2.727 -1.810 -1.395 1.00 0.00 C ATOM 957 O ASN B 42 -1.869 -0.935 -1.516 1.00 0.00 O ATOM 958 CB ASN B 42 -4.075 -0.730 -3.214 1.00 0.00 C ATOM 959 CG ASN B 42 -3.377 -1.429 -4.366 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.396 -2.657 -4.466 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.757 -0.645 -5.243 1.00 0.00 N ATOM 0 H ASN B 42 -4.502 -0.683 -0.105 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.559 -2.569 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -5.087 -0.461 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.553 0.199 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.270 -1.056 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.768 0.367 -5.119 1.00 0.00 H new ATOM 968 N PRO B 43 -2.470 -2.978 -0.769 1.00 0.00 N ATOM 969 CA PRO B 43 -1.157 -3.292 -0.181 1.00 0.00 C ATOM 970 C PRO B 43 -0.072 -3.499 -1.234 1.00 0.00 C ATOM 971 O PRO B 43 1.042 -3.913 -0.908 1.00 0.00 O ATOM 972 CB PRO B 43 -1.414 -4.597 0.582 1.00 0.00 C ATOM 973 CG PRO B 43 -2.567 -5.226 -0.123 1.00 0.00 C ATOM 974 CD PRO B 43 -3.435 -4.084 -0.585 1.00 0.00 C ATOM 0 HA PRO B 43 -0.790 -2.477 0.443 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.538 -5.245 0.565 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.647 -4.404 1.629 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.229 -5.827 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.117 -5.891 0.542 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.955 -4.323 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.198 -3.834 0.152 1.00 0.00 H new ATOM 982 N ALA B 44 -0.401 -3.208 -2.493 1.00 0.00 N ATOM 983 CA ALA B 44 0.553 -3.370 -3.585 1.00 0.00 C ATOM 984 C ALA B 44 1.114 -4.789 -3.608 1.00 0.00 C ATOM 985 O ALA B 44 2.201 -5.029 -4.131 1.00 0.00 O ATOM 986 CB ALA B 44 1.683 -2.356 -3.454 1.00 0.00 C ATOM 0 H ALA B 44 -1.317 -2.861 -2.779 1.00 0.00 H new ATOM 0 HA ALA B 44 0.031 -3.194 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.387 -2.488 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.272 -1.347 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.199 -2.507 -2.506 1.00 0.00 H new ATOM 992 N ALA B 45 0.358 -5.727 -3.037 1.00 0.00 N ATOM 993 CA ALA B 45 0.773 -7.127 -2.980 1.00 0.00 C ATOM 994 C ALA B 45 1.056 -7.682 -4.374 1.00 0.00 C ATOM 995 O ALA B 45 1.668 -8.742 -4.518 1.00 0.00 O ATOM 996 CB ALA B 45 -0.292 -7.965 -2.286 1.00 0.00 C ATOM 0 H ALA B 45 -0.548 -5.541 -2.606 1.00 0.00 H new ATOM 0 HA ALA B 45 1.698 -7.178 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.030 -9.006 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.441 -7.596 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.229 -7.894 -2.839 1.00 0.00 H new ATOM 1002 N SER B 46 0.608 -6.959 -5.399 1.00 0.00 N ATOM 1003 CA SER B 46 0.814 -7.379 -6.781 1.00 0.00 C ATOM 1004 C SER B 46 2.304 -7.484 -7.101 1.00 0.00 C ATOM 1005 O SER B 46 2.709 -8.290 -7.941 1.00 0.00 O ATOM 1006 CB SER B 46 0.143 -6.395 -7.744 1.00 0.00 C ATOM 1007 OG SER B 46 0.689 -5.093 -7.608 1.00 0.00 O ATOM 0 H SER B 46 0.100 -6.080 -5.297 1.00 0.00 H new ATOM 0 HA SER B 46 0.362 -8.363 -6.905 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.271 -6.741 -8.770 1.00 0.00 H new ATOM 0 HB3 SER B 46 -0.929 -6.365 -7.549 1.00 0.00 H new ATOM 0 HG SER B 46 0.016 -4.428 -7.861 1.00 0.00 H new ATOM 1013 N VAL B 47 3.114 -6.668 -6.428 1.00 0.00 N ATOM 1014 CA VAL B 47 4.559 -6.675 -6.648 1.00 0.00 C ATOM 1015 C VAL B 47 5.322 -6.936 -5.350 1.00 0.00 C ATOM 1016 O VAL B 47 6.401 -7.528 -5.362 1.00 0.00 O ATOM 1017 CB VAL B 47 5.039 -5.340 -7.259 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.376 -5.106 -8.609 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.762 -4.181 -6.312 1.00 0.00 C ATOM 0 H VAL B 47 2.796 -5.997 -5.729 1.00 0.00 H new ATOM 0 HA VAL B 47 4.766 -7.484 -7.348 1.00 0.00 H new ATOM 0 HB VAL B 47 6.117 -5.399 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.724 -4.161 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.634 -5.920 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.294 -5.069 -8.482 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.109 -3.251 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.691 -4.115 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.288 -4.346 -5.372 1.00 0.00 H new ATOM 1029 N LEU B 48 4.754 -6.494 -4.232 1.00 0.00 N ATOM 1030 CA LEU B 48 5.387 -6.683 -2.928 1.00 0.00 C ATOM 1031 C LEU B 48 4.893 -7.970 -2.270 1.00 0.00 C ATOM 1032 O LEU B 48 3.930 -8.586 -2.731 1.00 0.00 O ATOM 1033 CB LEU B 48 5.099 -5.485 -2.018 1.00 0.00 C ATOM 1034 CG LEU B 48 5.172 -4.112 -2.700 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.706 -3.021 -1.748 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.588 -3.829 -3.184 1.00 0.00 C ATOM 0 H LEU B 48 3.860 -6.004 -4.201 1.00 0.00 H new ATOM 0 HA LEU B 48 6.464 -6.762 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.105 -5.607 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.808 -5.500 -1.190 1.00 0.00 H new ATOM 0 HG LEU B 48 4.510 -4.122 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 48 4.764 -2.054 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.676 -3.214 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.344 -3.012 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU B 48 6.620 -2.851 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.271 -3.838 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.888 -4.595 -3.899 1.00 0.00 H new ATOM 1048 N LYS B 49 5.561 -8.371 -1.188 1.00 0.00 N ATOM 1049 CA LYS B 49 5.192 -9.586 -0.466 1.00 0.00 C ATOM 1050 C LYS B 49 5.086 -9.318 1.033 1.00 0.00 C ATOM 1051 O LYS B 49 5.797 -8.468 1.574 1.00 0.00 O ATOM 1052 CB LYS B 49 6.220 -10.691 -0.727 1.00 0.00 C ATOM 1053 CG LYS B 49 5.853 -12.030 -0.103 1.00 0.00 C ATOM 1054 CD LYS B 49 6.959 -13.054 -0.297 1.00 0.00 C ATOM 1055 CE LYS B 49 8.178 -12.734 0.557 1.00 0.00 C ATOM 1056 NZ LYS B 49 9.266 -13.736 0.375 1.00 0.00 N ATOM 0 H LYS B 49 6.359 -7.872 -0.794 1.00 0.00 H new ATOM 0 HA LYS B 49 4.217 -9.912 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.335 -10.821 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.188 -10.373 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.661 -11.897 0.962 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.930 -12.400 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.586 -14.046 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.248 -13.083 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS B 49 8.551 -11.743 0.299 1.00 0.00 H new ATOM 0 HE3 LYS B 49 7.887 -12.702 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 10.077 -13.481 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.919 -14.678 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 9.563 -13.749 -0.622 1.00 0.00 H new ATOM 1070 N ARG B 50 4.195 -10.047 1.700 1.00 0.00 N ATOM 1071 CA ARG B 50 3.996 -9.889 3.137 1.00 0.00 C ATOM 1072 C ARG B 50 4.909 -10.829 3.924 1.00 0.00 C ATOM 1073 O ARG B 50 5.376 -11.840 3.395 1.00 0.00 O ATOM 1074 CB ARG B 50 2.534 -10.158 3.504 1.00 0.00 C ATOM 1075 CG ARG B 50 1.551 -9.228 2.807 1.00 0.00 C ATOM 1076 CD ARG B 50 0.115 -9.542 3.203 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.841 -8.653 2.540 1.00 0.00 N ATOM 1078 CZ ARG B 50 -2.158 -8.718 2.726 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.673 -9.625 3.548 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.960 -7.874 2.087 1.00 0.00 N ATOM 0 H ARG B 50 3.599 -10.753 1.268 1.00 0.00 H new ATOM 0 HA ARG B 50 4.249 -8.862 3.400 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.288 -11.189 3.251 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.414 -10.058 4.583 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.783 -8.194 3.062 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.661 -9.323 1.727 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.114 -10.577 2.948 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.008 -9.449 4.284 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.479 -7.945 1.901 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.059 -10.275 4.039 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.682 -9.672 3.688 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -2.567 -7.177 1.455 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.969 -7.923 2.229 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.118 0.678 18.673 1.00 0.00 N ATOM 1350 CA GLU B 71 0.489 1.315 17.507 1.00 0.00 C ATOM 1351 C GLU B 71 0.441 0.388 16.297 1.00 0.00 C ATOM 1352 O GLU B 71 0.982 -0.720 16.328 1.00 0.00 O ATOM 1353 CB GLU B 71 1.938 1.712 17.808 1.00 0.00 C ATOM 1354 CG GLU B 71 2.070 2.787 18.878 1.00 0.00 C ATOM 1355 CD GLU B 71 3.500 3.264 19.052 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.826 4.360 18.543 1.00 0.00 O ATOM 1357 OE2 GLU B 71 4.294 2.544 19.695 1.00 0.00 O ATOM 0 HA GLU B 71 -0.082 2.214 17.276 1.00 0.00 H new ATOM 0 HB2 GLU B 71 2.489 0.827 18.125 1.00 0.00 H new ATOM 0 HB3 GLU B 71 2.406 2.067 16.890 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.437 3.635 18.616 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.703 2.397 19.827 1.00 0.00 H new ATOM 1364 N SER B 72 -0.211 0.848 15.229 1.00 0.00 N ATOM 1365 CA SER B 72 -0.332 0.060 14.006 1.00 0.00 C ATOM 1366 C SER B 72 1.015 -0.060 13.302 1.00 0.00 C ATOM 1367 O SER B 72 1.572 0.933 12.827 1.00 0.00 O ATOM 1368 CB SER B 72 -1.360 0.696 13.064 1.00 0.00 C ATOM 1369 OG SER B 72 -1.501 -0.061 11.873 1.00 0.00 O ATOM 0 H SER B 72 -0.663 1.762 15.188 1.00 0.00 H new ATOM 0 HA SER B 72 -0.669 -0.940 14.278 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.324 0.768 13.568 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.052 1.712 12.818 1.00 0.00 H new ATOM 0 HG SER B 72 -0.878 0.276 11.196 1.00 0.00 H new ATOM 1375 N THR B 73 1.535 -1.284 13.237 1.00 0.00 N ATOM 1376 CA THR B 73 2.816 -1.538 12.590 1.00 0.00 C ATOM 1377 C THR B 73 2.638 -2.409 11.348 1.00 0.00 C ATOM 1378 O THR B 73 2.176 -3.548 11.437 1.00 0.00 O ATOM 1379 CB THR B 73 3.806 -2.229 13.553 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.983 -1.430 14.732 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.155 -2.449 12.882 1.00 0.00 C ATOM 0 H THR B 73 1.087 -2.114 13.625 1.00 0.00 H new ATOM 0 HA THR B 73 3.223 -0.570 12.298 1.00 0.00 H new ATOM 0 HB THR B 73 3.391 -3.199 13.827 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.611 -1.876 15.338 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.834 -2.937 13.581 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.025 -3.079 12.002 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.573 -1.488 12.581 1.00 0.00 H new ATOM 1389 N TRP B 74 3.008 -1.861 10.192 1.00 0.00 N ATOM 1390 CA TRP B 74 2.889 -2.589 8.930 1.00 0.00 C ATOM 1391 C TRP B 74 4.263 -2.986 8.402 1.00 0.00 C ATOM 1392 O TRP B 74 5.082 -2.128 8.064 1.00 0.00 O ATOM 1393 CB TRP B 74 2.162 -1.731 7.888 1.00 0.00 C ATOM 1394 CG TRP B 74 0.790 -1.308 8.315 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.441 -0.117 8.886 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.419 -2.072 8.201 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.912 -0.093 9.134 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.462 -1.282 8.724 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.722 -3.348 7.710 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.783 -1.727 8.766 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.034 -3.787 7.752 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.050 -2.978 8.277 1.00 0.00 C ATOM 0 H TRP B 74 3.391 -0.920 10.103 1.00 0.00 H new ATOM 0 HA TRP B 74 2.311 -3.495 9.115 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.759 -0.843 7.680 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.087 -2.291 6.956 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.126 0.687 9.110 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.424 0.683 9.554 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.055 -3.979 7.305 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.569 -1.106 9.170 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.278 -4.769 7.374 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.064 -3.348 8.297 1.00 0.00 H new ATOM 1413 N ARG B 75 4.511 -4.292 8.328 1.00 0.00 N ATOM 1414 CA ARG B 75 5.785 -4.802 7.836 1.00 0.00 C ATOM 1415 C ARG B 75 5.628 -5.399 6.440 1.00 0.00 C ATOM 1416 O ARG B 75 4.783 -6.270 6.218 1.00 0.00 O ATOM 1417 CB ARG B 75 6.344 -5.858 8.796 1.00 0.00 C ATOM 1418 CG ARG B 75 6.626 -5.318 10.190 1.00 0.00 C ATOM 1419 CD ARG B 75 7.444 -6.304 11.011 1.00 0.00 C ATOM 1420 NE ARG B 75 6.742 -7.572 11.207 1.00 0.00 N ATOM 1421 CZ ARG B 75 7.265 -8.614 11.852 1.00 0.00 C ATOM 1422 NH1 ARG B 75 8.491 -8.538 12.360 1.00 0.00 N ATOM 1423 NH2 ARG B 75 6.563 -9.733 11.990 1.00 0.00 N ATOM 0 H ARG B 75 3.846 -5.015 8.603 1.00 0.00 H new ATOM 0 HA ARG B 75 6.484 -3.968 7.780 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.635 -6.682 8.870 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.265 -6.266 8.379 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.162 -4.372 10.114 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.685 -5.111 10.699 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.395 -6.490 10.511 1.00 0.00 H new ATOM 0 HD3 ARG B 75 7.674 -5.864 11.981 1.00 0.00 H new ATOM 0 HE ARG B 75 5.799 -7.664 10.829 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.034 -7.681 12.257 1.00 0.00 H new ATOM 0 HH12 ARG B 75 8.889 -9.337 12.853 1.00 0.00 H new ATOM 0 HH21 ARG B 75 5.622 -9.796 11.602 1.00 0.00 H new ATOM 0 HH22 ARG B 75 6.965 -10.530 12.484 1.00 0.00 H new ATOM 1437 N PHE B 76 6.445 -4.926 5.502 1.00 0.00 N ATOM 1438 CA PHE B 76 6.389 -5.414 4.127 1.00 0.00 C ATOM 1439 C PHE B 76 7.785 -5.727 3.597 1.00 0.00 C ATOM 1440 O PHE B 76 8.787 -5.200 4.089 1.00 0.00 O ATOM 1441 CB PHE B 76 5.717 -4.379 3.218 1.00 0.00 C ATOM 1442 CG PHE B 76 4.274 -4.126 3.549 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.891 -2.948 4.173 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.299 -5.062 3.235 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.565 -2.708 4.477 1.00 0.00 C ATOM 1446 CE2 PHE B 76 1.970 -4.830 3.537 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.603 -3.651 4.158 1.00 0.00 C ATOM 0 H PHE B 76 7.151 -4.208 5.668 1.00 0.00 H new ATOM 0 HA PHE B 76 5.801 -6.332 4.126 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.266 -3.439 3.286 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.789 -4.716 2.184 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.638 -2.210 4.424 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.582 -5.984 2.748 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.279 -1.787 4.963 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.221 -5.567 3.289 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.566 -3.465 4.394 1.00 0.00 H new ATOM 1457 N ARG B 77 7.837 -6.592 2.588 1.00 0.00 N ATOM 1458 CA ARG B 77 9.100 -6.982 1.968 1.00 0.00 C ATOM 1459 C ARG B 77 8.907 -7.213 0.474 1.00 0.00 C ATOM 1460 O ARG B 77 8.060 -8.010 0.061 1.00 0.00 O ATOM 1461 CB ARG B 77 9.650 -8.253 2.628 1.00 0.00 C ATOM 1462 CG ARG B 77 10.949 -8.745 2.009 1.00 0.00 C ATOM 1463 CD ARG B 77 12.110 -7.811 2.321 1.00 0.00 C ATOM 1464 NE ARG B 77 13.357 -8.273 1.716 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.544 -8.190 2.316 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.646 -7.671 3.533 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.633 -8.628 1.697 1.00 0.00 N ATOM 0 H ARG B 77 7.015 -7.038 2.181 1.00 0.00 H new ATOM 0 HA ARG B 77 9.818 -6.174 2.110 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.812 -8.061 3.689 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.902 -9.042 2.558 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.175 -9.744 2.383 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.829 -8.828 0.929 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.879 -6.810 1.957 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.236 -7.736 3.401 1.00 0.00 H new ATOM 0 HE ARG B 77 13.317 -8.682 0.782 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.813 -7.333 4.015 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.557 -7.610 3.987 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.562 -9.028 0.762 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.541 -8.564 2.157 1.00 0.00 H new ATOM 1481 N VAL B 78 9.697 -6.517 -0.336 1.00 0.00 N ATOM 1482 CA VAL B 78 9.604 -6.642 -1.788 1.00 0.00 C ATOM 1483 C VAL B 78 10.025 -8.034 -2.250 1.00 0.00 C ATOM 1484 O VAL B 78 10.939 -8.637 -1.683 1.00 0.00 O ATOM 1485 CB VAL B 78 10.470 -5.581 -2.497 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.332 -5.700 -4.010 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.083 -4.185 -2.029 1.00 0.00 C ATOM 0 H VAL B 78 10.408 -5.861 -0.014 1.00 0.00 H new ATOM 0 HA VAL B 78 8.560 -6.481 -2.057 1.00 0.00 H new ATOM 0 HB VAL B 78 11.514 -5.755 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL B 78 10.950 -4.943 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.657 -6.691 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.290 -5.552 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.702 -3.446 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.034 -4.001 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.235 -4.107 -0.953 1.00 0.00 H new ATOM 1497 N ALA B 79 9.351 -8.540 -3.283 1.00 0.00 N ATOM 1498 CA ALA B 79 9.652 -9.862 -3.817 1.00 0.00 C ATOM 1499 C ALA B 79 9.800 -9.828 -5.337 1.00 0.00 C ATOM 1500 O ALA B 79 10.637 -10.538 -5.900 1.00 0.00 O ATOM 1501 CB ALA B 79 8.566 -10.854 -3.416 1.00 0.00 C ATOM 0 H ALA B 79 8.595 -8.053 -3.764 1.00 0.00 H new ATOM 0 HA ALA B 79 10.603 -10.185 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.804 -11.837 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.511 -10.914 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.606 -10.521 -3.810 1.00 0.00 H new ATOM 1507 N ALA B 80 8.989 -9.004 -5.999 1.00 0.00 N ATOM 1508 CA ALA B 80 9.038 -8.892 -7.454 1.00 0.00 C ATOM 1509 C ALA B 80 8.837 -7.449 -7.908 1.00 0.00 C ATOM 1510 O ALA B 80 8.253 -6.635 -7.191 1.00 0.00 O ATOM 1511 CB ALA B 80 7.990 -9.797 -8.090 1.00 0.00 C ATOM 0 H ALA B 80 8.293 -8.407 -5.552 1.00 0.00 H new ATOM 0 HA ALA B 80 10.028 -9.211 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.038 -9.703 -9.175 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.182 -10.832 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.999 -9.504 -7.744 1.00 0.00 H new ATOM 1517 N SER B 81 9.323 -7.141 -9.107 1.00 0.00 N ATOM 1518 CA SER B 81 9.206 -5.807 -9.669 1.00 0.00 C ATOM 1519 C SER B 81 7.774 -5.521 -10.108 1.00 0.00 C ATOM 1520 O SER B 81 6.848 -6.263 -9.773 1.00 0.00 O ATOM 1521 CB SER B 81 10.151 -5.667 -10.859 1.00 0.00 C ATOM 1522 OG SER B 81 9.633 -6.331 -12.002 1.00 0.00 O ATOM 0 H SER B 81 9.805 -7.807 -9.710 1.00 0.00 H new ATOM 0 HA SER B 81 9.477 -5.084 -8.899 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.303 -4.612 -11.085 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.126 -6.082 -10.604 1.00 0.00 H new ATOM 0 HG SER B 81 10.320 -6.364 -12.700 1.00 0.00 H new ATOM 1528 N GLY B 82 7.606 -4.442 -10.869 1.00 0.00 N ATOM 1529 CA GLY B 82 6.288 -4.061 -11.347 1.00 0.00 C ATOM 1530 C GLY B 82 5.891 -2.667 -10.900 1.00 0.00 C ATOM 1531 O GLY B 82 6.462 -2.126 -9.949 1.00 0.00 O ATOM 0 H GLY B 82 8.362 -3.823 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.272 -4.109 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.552 -4.779 -10.985 1.00 0.00 H new ATOM 1535 N ASP B 83 4.914 -2.082 -11.591 1.00 0.00 N ATOM 1536 CA ASP B 83 4.436 -0.746 -11.265 1.00 0.00 C ATOM 1537 C ASP B 83 3.113 -0.811 -10.507 1.00 0.00 C ATOM 1538 O ASP B 83 2.102 -1.279 -11.038 1.00 0.00 O ATOM 1539 CB ASP B 83 4.265 0.071 -12.546 1.00 0.00 C ATOM 1540 CG ASP B 83 3.493 -0.680 -13.616 1.00 0.00 C ATOM 1541 OD1 ASP B 83 2.255 -0.520 -13.681 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.127 -1.430 -14.388 1.00 0.00 O ATOM 0 H ASP B 83 4.439 -2.517 -12.382 1.00 0.00 H new ATOM 0 HA ASP B 83 5.174 -0.263 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.746 1.001 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.247 0.342 -12.934 1.00 0.00 H new ATOM 1547 N ASP B 84 3.127 -0.340 -9.263 1.00 0.00 N ATOM 1548 CA ASP B 84 1.928 -0.342 -8.433 1.00 0.00 C ATOM 1549 C ASP B 84 1.887 0.906 -7.551 1.00 0.00 C ATOM 1550 O ASP B 84 2.689 1.827 -7.722 1.00 0.00 O ATOM 1551 CB ASP B 84 1.879 -1.606 -7.569 1.00 0.00 C ATOM 1552 CG ASP B 84 0.464 -1.975 -7.163 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.067 -1.640 -6.027 1.00 0.00 O ATOM 1554 OD2 ASP B 84 -0.248 -2.597 -7.982 1.00 0.00 O ATOM 0 H ASP B 84 3.954 0.047 -8.809 1.00 0.00 H new ATOM 0 HA ASP B 84 1.056 -0.334 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP B 84 2.325 -2.436 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.483 -1.455 -6.674 1.00 0.00 H new ATOM 1559 N ARG B 85 0.953 0.933 -6.604 1.00 0.00 N ATOM 1560 CA ARG B 85 0.818 2.074 -5.709 1.00 0.00 C ATOM 1561 C ARG B 85 0.144 1.669 -4.400 1.00 0.00 C ATOM 1562 O ARG B 85 -1.013 1.248 -4.393 1.00 0.00 O ATOM 1563 CB ARG B 85 0.006 3.178 -6.393 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.231 4.393 -5.513 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.992 5.478 -6.263 1.00 0.00 C ATOM 1566 NE ARG B 85 -2.341 5.049 -6.628 1.00 0.00 N ATOM 1567 CZ ARG B 85 -3.186 5.792 -7.341 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.820 6.997 -7.765 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -4.396 5.330 -7.631 1.00 0.00 N ATOM 0 H ARG B 85 0.283 0.182 -6.439 1.00 0.00 H new ATOM 0 HA ARG B 85 1.816 2.446 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.526 3.492 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.957 2.771 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.792 4.099 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.725 4.788 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.051 6.373 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -0.442 5.750 -7.164 1.00 0.00 H new ATOM 0 HE ARG B 85 -2.653 4.128 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -1.891 7.355 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.469 7.564 -8.311 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -4.680 4.405 -7.308 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -5.042 5.900 -8.177 1.00 0.00 H new ATOM 1583 N LEU B 86 0.874 1.803 -3.295 1.00 0.00 N ATOM 1584 CA LEU B 86 0.337 1.462 -1.984 1.00 0.00 C ATOM 1585 C LEU B 86 -0.813 2.396 -1.620 1.00 0.00 C ATOM 1586 O LEU B 86 -0.767 3.593 -1.909 1.00 0.00 O ATOM 1587 CB LEU B 86 1.436 1.534 -0.916 1.00 0.00 C ATOM 1588 CG LEU B 86 1.946 0.176 -0.416 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.089 0.361 0.570 1.00 0.00 C ATOM 1590 CD2 LEU B 86 0.816 -0.615 0.227 1.00 0.00 C ATOM 0 H LEU B 86 1.835 2.144 -3.283 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.042 0.441 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.279 2.095 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.057 2.099 -0.064 1.00 0.00 H new ATOM 0 HG LEU B 86 2.318 -0.385 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.436 -0.614 0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.909 0.887 0.082 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.742 0.943 1.424 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.196 -1.575 0.576 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.415 -0.055 1.072 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.026 -0.782 -0.505 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.844 1.840 -0.990 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.010 2.625 -0.601 1.00 0.00 C ATOM 1604 C GLU B 87 -3.523 2.204 0.774 1.00 0.00 C ATOM 1605 O GLU B 87 -4.038 1.095 0.945 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.118 2.468 -1.644 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.800 3.137 -2.972 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.051 4.633 -2.954 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.037 5.063 -2.315 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -3.270 5.376 -3.586 1.00 0.00 O ATOM 0 H GLU B 87 -1.895 0.853 -0.739 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.712 3.672 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.298 1.407 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.042 2.888 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.756 2.952 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -4.404 2.682 -3.756 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.376 3.094 1.751 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.827 2.823 3.114 1.00 0.00 C ATOM 1619 C LEU B 88 -4.728 3.951 3.609 1.00 0.00 C ATOM 1620 O LEU B 88 -4.320 5.114 3.640 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.633 2.658 4.061 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.690 1.495 3.736 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.718 1.887 2.632 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -0.935 1.056 4.985 1.00 0.00 C ATOM 0 H LEU B 88 -2.947 4.011 1.625 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.394 1.892 3.103 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.056 3.583 4.055 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.011 2.524 5.075 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.288 0.655 3.383 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.056 1.048 2.415 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.275 2.151 1.733 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.125 2.742 2.956 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.270 0.229 4.736 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.348 1.891 5.368 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.646 0.733 5.745 1.00 0.00 H new ATOM 1636 N VAL B 89 -5.950 3.601 3.998 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.904 4.590 4.489 1.00 0.00 C ATOM 1638 C VAL B 89 -7.168 4.409 5.979 1.00 0.00 C ATOM 1639 O VAL B 89 -6.953 3.332 6.539 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.238 4.516 3.717 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.920 3.172 3.944 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.159 5.661 4.108 1.00 0.00 C ATOM 0 H VAL B 89 -6.302 2.644 3.983 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.458 5.571 4.325 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.017 4.611 2.654 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.858 3.142 3.390 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.268 2.370 3.597 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.122 3.041 5.007 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.092 5.585 3.549 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.371 5.609 5.176 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -8.676 6.611 3.879 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.637 5.478 6.611 1.00 0.00 N ATOM 1653 CA TYR B 90 -7.936 5.460 8.040 1.00 0.00 C ATOM 1654 C TYR B 90 -9.445 5.488 8.276 1.00 0.00 C ATOM 1655 O TYR B 90 -10.075 6.544 8.194 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.271 6.658 8.727 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.448 6.683 10.230 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.252 7.641 10.836 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -6.809 5.751 11.042 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.412 7.668 12.210 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -6.965 5.773 12.415 1.00 0.00 C ATOM 1662 CZ TYR B 90 -7.767 6.735 12.995 1.00 0.00 C ATOM 1663 OH TYR B 90 -7.925 6.759 14.362 1.00 0.00 O ATOM 0 H TYR B 90 -7.819 6.372 6.155 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.540 4.538 8.467 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.206 6.650 8.497 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -7.681 7.577 8.308 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.759 8.374 10.226 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.180 4.997 10.591 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.041 8.418 12.667 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.462 5.042 13.031 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.404 6.033 14.764 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.019 4.322 8.567 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.455 4.216 8.811 1.00 0.00 C ATOM 1675 C ARG B 91 -11.801 2.888 9.485 1.00 0.00 C ATOM 1676 O ARG B 91 -10.916 2.154 9.930 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.227 4.346 7.494 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.926 3.233 6.501 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.751 3.377 5.230 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.561 2.247 4.323 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.385 1.957 3.318 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.448 2.718 3.085 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -13.146 0.906 2.543 1.00 0.00 N ATOM 0 H ARG B 91 -9.512 3.440 8.639 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.744 5.027 9.479 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.296 4.352 7.708 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -11.988 5.306 7.035 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.865 3.246 6.250 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.133 2.267 6.962 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.806 3.460 5.490 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.475 4.301 4.721 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.750 1.646 4.468 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.635 3.527 3.677 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -15.077 2.493 2.314 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -12.330 0.319 2.717 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.778 0.685 1.774 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.097 2.588 9.555 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.571 1.348 10.169 1.00 0.00 C ATOM 1699 C ARG B 92 -13.417 0.174 9.199 1.00 0.00 C ATOM 1700 O ARG B 92 -14.114 0.108 8.182 1.00 0.00 O ATOM 1701 CB ARG B 92 -15.033 1.503 10.588 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.269 2.684 11.518 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.751 2.903 11.788 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.984 4.071 12.635 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.184 4.619 12.820 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.251 4.108 12.218 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.313 5.680 13.608 1.00 0.00 N ATOM 0 H ARG B 92 -13.839 3.188 9.194 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.968 1.141 11.053 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.649 1.622 9.697 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.361 0.589 11.082 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.749 2.514 12.461 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.843 3.585 11.077 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.277 3.030 10.842 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -17.167 2.017 12.268 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.184 4.489 13.110 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.153 3.294 11.612 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.169 4.530 12.362 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.494 6.074 14.071 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.231 6.101 13.751 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.502 -0.772 9.497 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.253 -1.934 8.634 1.00 0.00 C ATOM 1723 C PRO B 93 -13.335 -3.010 8.728 1.00 0.00 C ATOM 1724 O PRO B 93 -13.388 -3.918 7.896 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.923 -2.471 9.164 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.928 -2.112 10.609 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.630 -0.782 10.695 1.00 0.00 C ATOM 0 HA PRO B 93 -12.245 -1.655 7.580 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.845 -3.549 9.023 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.077 -2.020 8.645 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.447 -2.868 11.199 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.913 -2.045 11.000 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.210 -0.693 11.614 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.922 0.047 10.683 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.197 -2.913 9.736 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.261 -3.899 9.916 1.00 0.00 C ATOM 1737 C TRP B 94 -16.459 -3.591 9.015 1.00 0.00 C ATOM 1738 O TRP B 94 -17.508 -4.233 9.125 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.700 -3.962 11.383 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.274 -2.676 11.902 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.489 -2.134 11.588 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.662 -1.778 12.837 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.664 -0.949 12.262 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.557 -0.710 13.036 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -14.441 -1.773 13.522 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.270 0.351 13.893 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.159 -0.720 14.375 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.071 0.331 14.552 1.00 0.00 C ATOM 0 H TRP B 94 -14.182 -2.170 10.435 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.863 -4.873 9.630 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.443 -4.752 11.496 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.843 -4.240 11.997 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.206 -2.573 10.910 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.484 -0.345 12.197 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.732 -2.576 13.387 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.970 1.161 14.032 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.222 -0.707 14.913 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.822 1.141 15.222 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.299 -2.612 8.128 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.370 -2.228 7.210 1.00 0.00 C ATOM 1761 C GLU B 95 -16.986 -2.532 5.765 1.00 0.00 C ATOM 1762 O GLU B 95 -15.811 -2.721 5.452 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.693 -0.736 7.356 1.00 0.00 C ATOM 1764 CG GLU B 95 -18.207 -0.357 8.731 1.00 0.00 C ATOM 1765 CD GLU B 95 -18.648 1.093 8.807 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -17.773 1.974 8.955 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.868 1.348 8.719 1.00 0.00 O ATOM 0 H GLU B 95 -15.441 -2.071 8.025 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.254 -2.812 7.466 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.796 -0.156 7.140 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -18.438 -0.460 6.610 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -19.045 -1.003 8.993 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.425 -0.535 9.469 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.989 -2.573 4.890 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.760 -2.848 3.474 1.00 0.00 C ATOM 1776 C LYS B 96 -17.394 -1.567 2.728 1.00 0.00 C ATOM 1777 O LYS B 96 -16.538 -1.573 1.845 1.00 0.00 O ATOM 1778 CB LYS B 96 -19.007 -3.484 2.847 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.846 -3.831 1.374 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.789 -4.905 1.164 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.631 -5.250 -0.309 1.00 0.00 C ATOM 1782 NZ LYS B 96 -17.224 -4.064 -1.116 1.00 0.00 N ATOM 0 H LYS B 96 -18.967 -2.419 5.137 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.927 -3.547 3.392 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.257 -4.390 3.399 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.848 -2.800 2.959 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.800 -4.175 0.974 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.571 -2.935 0.817 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.835 -4.561 1.563 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.063 -5.801 1.721 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -16.886 -6.038 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -18.572 -5.645 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.931 -4.374 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -18.027 -3.408 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -16.430 -3.582 -0.648 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.053 -0.469 3.092 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.799 0.825 2.462 1.00 0.00 C ATOM 1798 C ASP B 97 -18.445 1.955 3.261 1.00 0.00 C ATOM 1799 O ASP B 97 -19.668 2.106 3.260 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.334 0.831 1.025 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.084 2.152 0.319 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.013 2.299 -0.309 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.959 3.043 0.394 1.00 0.00 O ATOM 0 H ASP B 97 -18.767 -0.449 3.820 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.721 0.986 2.443 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.862 0.026 0.461 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.404 0.626 1.038 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.615 2.743 3.942 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.104 3.858 4.744 1.00 0.00 C ATOM 1810 C ALA B 98 -17.269 5.114 4.509 1.00 0.00 C ATOM 1811 O ALA B 98 -16.309 5.097 3.737 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.094 3.485 6.222 1.00 0.00 C ATOM 0 H ALA B 98 -16.602 2.628 3.953 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.128 4.073 4.438 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.461 4.325 6.812 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.737 2.620 6.383 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.077 3.243 6.529 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.642 6.204 5.176 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.925 7.469 5.037 1.00 0.00 C ATOM 1820 C GLU B 99 -15.602 7.439 5.804 1.00 0.00 C ATOM 1821 O GLU B 99 -15.592 7.333 7.032 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.792 8.629 5.525 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.937 8.961 4.585 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.682 10.219 4.990 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -20.660 10.105 5.758 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.287 11.317 4.540 1.00 0.00 O ATOM 0 H GLU B 99 -18.435 6.237 5.817 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.702 7.615 3.980 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.197 8.383 6.507 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.167 9.513 5.651 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.548 9.084 3.574 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.634 8.124 4.558 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.465 7.532 5.089 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.134 7.513 5.701 1.00 0.00 C ATOM 1835 C PRO B 100 -12.751 8.864 6.303 1.00 0.00 C ATOM 1836 O PRO B 100 -13.318 9.899 5.946 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.199 7.167 4.529 1.00 0.00 C ATOM 1838 CG PRO B 100 -13.083 6.956 3.335 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.374 7.662 3.633 1.00 0.00 C ATOM 0 HA PRO B 100 -13.081 6.805 6.528 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.487 7.972 4.348 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.618 6.271 4.746 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.620 7.357 2.433 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -13.253 5.894 3.160 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.351 8.705 3.317 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -15.220 7.195 3.128 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.783 8.844 7.219 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.321 10.067 7.871 1.00 0.00 C ATOM 1849 C ALA B 101 -10.043 10.591 7.224 1.00 0.00 C ATOM 1850 O ALA B 101 -10.044 11.645 6.581 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.090 9.821 9.356 1.00 0.00 C ATOM 0 H ALA B 101 -11.305 7.996 7.525 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.097 10.822 7.750 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.746 10.741 9.828 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.022 9.501 9.821 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.336 9.044 9.483 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.953 9.848 7.399 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.663 10.237 6.843 1.00 0.00 C ATOM 1859 C GLU B 102 -7.343 9.471 5.568 1.00 0.00 C ATOM 1860 O GLU B 102 -8.223 8.884 4.935 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.555 10.002 7.867 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.229 11.222 8.706 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.024 12.476 7.873 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.002 13.235 7.692 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.888 12.698 7.403 1.00 0.00 O ATOM 0 H GLU B 102 -8.939 8.973 7.922 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.721 11.297 6.597 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.850 9.187 8.527 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.654 9.680 7.346 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.036 11.393 9.418 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.328 11.027 9.287 1.00 0.00 H new ATOM 1872 N SER B 103 -6.064 9.488 5.208 1.00 0.00 N ATOM 1873 CA SER B 103 -5.594 8.802 4.009 1.00 0.00 C ATOM 1874 C SER B 103 -4.066 8.748 3.978 1.00 0.00 C ATOM 1875 O SER B 103 -3.391 9.561 4.611 1.00 0.00 O ATOM 1876 CB SER B 103 -6.116 9.507 2.752 1.00 0.00 C ATOM 1877 OG SER B 103 -5.667 10.852 2.694 1.00 0.00 O ATOM 0 H SER B 103 -5.333 9.970 5.730 1.00 0.00 H new ATOM 0 HA SER B 103 -5.978 7.782 4.030 1.00 0.00 H new ATOM 0 HB2 SER B 103 -5.780 8.970 1.865 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.206 9.484 2.745 1.00 0.00 H new ATOM 0 HG SER B 103 -6.013 11.278 1.882 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.531 7.782 3.235 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.084 7.618 3.116 1.00 0.00 C ATOM 1885 C PHE B 104 -1.738 6.734 1.920 1.00 0.00 C ATOM 1886 O PHE B 104 -1.881 5.510 1.979 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.511 7.009 4.402 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.014 6.852 4.386 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.812 7.909 4.743 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.565 5.647 4.016 1.00 0.00 C ATOM 1891 CE1 PHE B 104 2.188 7.766 4.731 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.941 5.500 4.001 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.753 6.560 4.360 1.00 0.00 C ATOM 0 H PHE B 104 -4.077 7.101 2.707 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.640 8.601 2.961 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -1.792 7.638 5.247 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.968 6.033 4.565 1.00 0.00 H new ATOM 0 HD1 PHE B 104 0.376 8.853 5.033 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.064 4.815 3.737 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.820 8.596 5.011 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.380 4.558 3.709 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.827 6.446 4.351 1.00 0.00 H new ATOM 1903 N SER B 105 -1.283 7.358 0.837 1.00 0.00 N ATOM 1904 CA SER B 105 -0.924 6.625 -0.374 1.00 0.00 C ATOM 1905 C SER B 105 0.529 6.886 -0.764 1.00 0.00 C ATOM 1906 O SER B 105 1.085 7.945 -0.458 1.00 0.00 O ATOM 1907 CB SER B 105 -1.851 7.023 -1.527 1.00 0.00 C ATOM 1908 OG SER B 105 -3.212 6.824 -1.180 1.00 0.00 O ATOM 0 H SER B 105 -1.154 8.368 0.773 1.00 0.00 H new ATOM 0 HA SER B 105 -1.039 5.560 -0.170 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.687 8.069 -1.785 1.00 0.00 H new ATOM 0 HB3 SER B 105 -1.608 6.435 -2.412 1.00 0.00 H new ATOM 0 HG SER B 105 -3.786 7.232 -1.862 1.00 0.00 H new ATOM 1914 N CYS B 106 1.137 5.914 -1.440 1.00 0.00 N ATOM 1915 CA CYS B 106 2.526 6.037 -1.876 1.00 0.00 C ATOM 1916 C CYS B 106 2.728 5.351 -3.226 1.00 0.00 C ATOM 1917 O CYS B 106 2.177 4.277 -3.476 1.00 0.00 O ATOM 1918 CB CYS B 106 3.466 5.432 -0.829 1.00 0.00 C ATOM 1919 SG CYS B 106 3.301 6.168 0.832 1.00 0.00 S ATOM 0 H CYS B 106 0.691 5.034 -1.697 1.00 0.00 H new ATOM 0 HA CYS B 106 2.760 7.096 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.276 4.361 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.495 5.552 -1.167 1.00 0.00 H new ATOM 1924 N ALA B 107 3.523 5.978 -4.089 1.00 0.00 N ATOM 1925 CA ALA B 107 3.795 5.433 -5.418 1.00 0.00 C ATOM 1926 C ALA B 107 4.912 4.393 -5.377 1.00 0.00 C ATOM 1927 O ALA B 107 5.826 4.477 -4.554 1.00 0.00 O ATOM 1928 CB ALA B 107 4.155 6.558 -6.380 1.00 0.00 C ATOM 0 H ALA B 107 3.990 6.863 -3.893 1.00 0.00 H new ATOM 0 HA ALA B 107 2.891 4.936 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.356 6.142 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.325 7.261 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.042 7.077 -6.017 1.00 0.00 H new ATOM 1934 N ILE B 108 4.827 3.407 -6.272 1.00 0.00 N ATOM 1935 CA ILE B 108 5.830 2.346 -6.346 1.00 0.00 C ATOM 1936 C ILE B 108 6.085 1.937 -7.795 1.00 0.00 C ATOM 1937 O ILE B 108 5.155 1.600 -8.530 1.00 0.00 O ATOM 1938 CB ILE B 108 5.395 1.101 -5.541 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.194 1.465 -4.068 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.426 -0.013 -5.676 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.443 0.413 -3.276 1.00 0.00 C ATOM 0 H ILE B 108 4.074 3.322 -6.955 1.00 0.00 H new ATOM 0 HA ILE B 108 6.748 2.745 -5.914 1.00 0.00 H new ATOM 0 HB ILE B 108 4.448 0.743 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.168 1.627 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.652 2.409 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.101 -0.881 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.528 -0.289 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.388 0.333 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.339 0.741 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.454 0.267 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE B 108 4.995 -0.527 -3.305 1.00 0.00 H new ATOM 1953 N GLN B 109 7.351 1.971 -8.204 1.00 0.00 N ATOM 1954 CA GLN B 109 7.725 1.603 -9.567 1.00 0.00 C ATOM 1955 C GLN B 109 9.078 0.896 -9.585 1.00 0.00 C ATOM 1956 O GLN B 109 10.120 1.529 -9.777 1.00 0.00 O ATOM 1957 CB GLN B 109 7.768 2.844 -10.467 1.00 0.00 C ATOM 1958 CG GLN B 109 6.423 3.541 -10.614 1.00 0.00 C ATOM 1959 CD GLN B 109 6.483 4.740 -11.543 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.279 4.774 -12.484 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.641 5.733 -11.285 1.00 0.00 N ATOM 0 H GLN B 109 8.134 2.249 -7.612 1.00 0.00 H new ATOM 0 HA GLN B 109 6.970 0.917 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.491 3.551 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.126 2.553 -11.455 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.689 2.830 -10.993 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.077 3.864 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN B 109 4.998 5.665 -10.496 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.637 6.564 -11.876 1.00 0.00 H new ATOM 1970 N VAL B 110 9.057 -0.419 -9.387 1.00 0.00 N ATOM 1971 CA VAL B 110 10.284 -1.204 -9.372 1.00 0.00 C ATOM 1972 C VAL B 110 10.870 -1.335 -10.774 1.00 0.00 C ATOM 1973 O VAL B 110 12.028 -0.988 -11.009 1.00 0.00 O ATOM 1974 CB VAL B 110 10.044 -2.609 -8.778 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.365 -3.328 -8.554 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.261 -2.504 -7.475 1.00 0.00 C ATOM 0 H VAL B 110 8.206 -0.961 -9.235 1.00 0.00 H new ATOM 0 HA VAL B 110 10.996 -0.674 -8.740 1.00 0.00 H new ATOM 0 HB VAL B 110 9.457 -3.191 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.175 -4.316 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.889 -3.431 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.980 -2.753 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.099 -3.502 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.825 -1.906 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.299 -2.029 -7.666 1.00 0.00 H new ATOM 1986 N ARG B 111 10.061 -1.840 -11.704 1.00 0.00 N ATOM 1987 CA ARG B 111 10.494 -2.011 -13.087 1.00 0.00 C ATOM 1988 C ARG B 111 9.347 -1.730 -14.056 1.00 0.00 C ATOM 1989 O ARG B 111 9.216 -0.567 -14.499 1.00 0.00 O ATOM 1990 CB ARG B 111 11.031 -3.427 -13.309 1.00 0.00 C ATOM 1991 CG ARG B 111 12.352 -3.696 -12.616 1.00 0.00 C ATOM 1992 CD ARG B 111 13.461 -2.908 -13.272 1.00 0.00 C ATOM 1993 NE ARG B 111 14.756 -3.128 -12.625 1.00 0.00 N ATOM 1994 CZ ARG B 111 15.905 -2.646 -13.095 1.00 0.00 C ATOM 1995 NH1 ARG B 111 15.921 -1.920 -14.207 1.00 0.00 N ATOM 1996 NH2 ARG B 111 17.041 -2.891 -12.450 1.00 0.00 N ATOM 1997 OXT ARG B 111 8.588 -2.675 -14.365 1.00 0.00 O ATOM 0 H ARG B 111 9.102 -2.137 -11.523 1.00 0.00 H new ATOM 0 HA ARG B 111 11.293 -1.295 -13.280 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.292 -4.146 -12.954 1.00 0.00 H new ATOM 0 HB3 ARG B 111 11.152 -3.596 -14.379 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.279 -3.425 -11.563 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.581 -4.761 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG B 111 13.530 -3.188 -14.323 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.217 -1.846 -13.240 1.00 0.00 H new ATOM 0 HE ARG B 111 14.779 -3.680 -11.768 1.00 0.00 H new ATOM 0 HH11 ARG B 111 15.051 -1.730 -14.704 1.00 0.00 H new ATOM 0 HH12 ARG B 111 16.803 -1.553 -14.564 1.00 0.00 H new ATOM 0 HH21 ARG B 111 17.032 -3.448 -11.596 1.00 0.00 H new ATOM 0 HH22 ARG B 111 17.921 -2.522 -12.810 1.00 0.00 H new