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 Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ -119:sc= -0.107 (180deg=-0.943) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.0764 USER MOD Single : B 20 GLN : amide:sc= -2.42 K(o=-2.4,f=-3) USER MOD Single : B 22 GLN : amide:sc= -0.434 K(o=-0.43,f=-4.3!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -170:sc= -0.4 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -72:sc= 1.22 USER MOD Single : B 42 ASN : amide:sc= -0.57 K(o=-0.57,f=-8.7!) 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 72 SER OG : rot -147:sc= 1.51 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.402 -0.098 4.142 1.00 0.00 N ATOM 382 CA VAL B 5 13.225 1.341 3.999 1.00 0.00 C ATOM 383 C VAL B 5 12.142 1.837 4.955 1.00 0.00 C ATOM 384 O VAL B 5 11.282 1.064 5.380 1.00 0.00 O ATOM 385 CB VAL B 5 12.856 1.734 2.552 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.741 1.007 1.553 1.00 0.00 C ATOM 387 CG2 VAL B 5 11.386 1.465 2.271 1.00 0.00 C ATOM 0 HA VAL B 5 14.177 1.812 4.244 1.00 0.00 H new ATOM 0 HB VAL B 5 13.027 2.805 2.440 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.463 1.299 0.540 1.00 0.00 H new ATOM 0 HG12 VAL B 5 14.784 1.269 1.733 1.00 0.00 H new ATOM 0 HG13 VAL B 5 13.612 -0.069 1.668 1.00 0.00 H new ATOM 0 HG21 VAL B 5 11.153 1.751 1.245 1.00 0.00 H new ATOM 0 HG22 VAL B 5 11.178 0.404 2.408 1.00 0.00 H new ATOM 0 HG23 VAL B 5 10.772 2.047 2.958 1.00 0.00 H new ATOM 397 N THR B 6 12.187 3.118 5.295 1.00 0.00 N ATOM 398 CA THR B 6 11.212 3.695 6.208 1.00 0.00 C ATOM 399 C THR B 6 10.435 4.832 5.556 1.00 0.00 C ATOM 400 O THR B 6 10.944 5.515 4.664 1.00 0.00 O ATOM 401 CB THR B 6 11.899 4.223 7.478 1.00 0.00 C ATOM 402 OG1 THR B 6 13.247 3.738 7.545 1.00 0.00 O ATOM 403 CG2 THR B 6 11.141 3.783 8.717 1.00 0.00 C ATOM 0 H THR B 6 12.887 3.776 4.953 1.00 0.00 H new ATOM 0 HA THR B 6 10.515 2.899 6.471 1.00 0.00 H new ATOM 0 HB THR B 6 11.906 5.312 7.436 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.678 4.080 8.356 1.00 0.00 H new ATOM 0 HG21 THR B 6 11.643 4.166 9.606 1.00 0.00 H new ATOM 0 HG22 THR B 6 10.124 4.172 8.678 1.00 0.00 H new ATOM 0 HG23 THR B 6 11.112 2.694 8.758 1.00 0.00 H new ATOM 411 N LEU B 7 9.199 5.028 6.004 1.00 0.00 N ATOM 412 CA LEU B 7 8.348 6.085 5.471 1.00 0.00 C ATOM 413 C LEU B 7 7.525 6.726 6.582 1.00 0.00 C ATOM 414 O LEU B 7 7.253 6.101 7.606 1.00 0.00 O ATOM 415 CB LEU B 7 7.422 5.522 4.389 1.00 0.00 C ATOM 416 CG LEU B 7 6.450 6.531 3.773 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.205 7.644 3.062 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.500 5.831 2.812 1.00 0.00 C ATOM 0 H LEU B 7 8.764 4.467 6.737 1.00 0.00 H new ATOM 0 HA LEU B 7 8.987 6.850 5.029 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.035 5.100 3.593 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.846 4.702 4.817 1.00 0.00 H new ATOM 0 HG LEU B 7 5.865 6.978 4.576 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.494 8.349 2.632 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.845 8.163 3.776 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.819 7.218 2.268 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.815 6.561 2.382 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.073 5.357 2.015 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.931 5.073 3.350 1.00 0.00 H new ATOM 430 N ASP B 8 7.133 7.979 6.376 1.00 0.00 N ATOM 431 CA ASP B 8 6.340 8.704 7.364 1.00 0.00 C ATOM 432 C ASP B 8 5.679 9.930 6.740 1.00 0.00 C ATOM 433 O ASP B 8 5.200 10.816 7.448 1.00 0.00 O ATOM 434 CB ASP B 8 7.218 9.127 8.543 1.00 0.00 C ATOM 435 CG ASP B 8 8.362 10.029 8.117 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.183 11.265 8.149 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.433 9.501 7.755 1.00 0.00 O ATOM 0 H ASP B 8 7.351 8.514 5.535 1.00 0.00 H new ATOM 0 HA ASP B 8 5.557 8.037 7.724 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.606 9.645 9.281 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.621 8.239 9.030 1.00 0.00 H new ATOM 442 N ASP B 9 5.651 9.969 5.412 1.00 0.00 N ATOM 443 CA ASP B 9 5.048 11.087 4.692 1.00 0.00 C ATOM 444 C ASP B 9 4.117 10.586 3.593 1.00 0.00 C ATOM 445 O ASP B 9 3.924 9.381 3.432 1.00 0.00 O ATOM 446 CB ASP B 9 6.134 11.978 4.089 1.00 0.00 C ATOM 447 CG ASP B 9 7.052 12.567 5.142 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.749 13.668 5.646 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.075 11.926 5.464 1.00 0.00 O ATOM 0 H ASP B 9 6.038 9.241 4.812 1.00 0.00 H new ATOM 0 HA ASP B 9 4.462 11.671 5.402 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.724 11.397 3.381 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.666 12.786 3.527 1.00 0.00 H new ATOM 454 N ALA B 10 3.541 11.517 2.840 1.00 0.00 N ATOM 455 CA ALA B 10 2.631 11.171 1.756 1.00 0.00 C ATOM 456 C ALA B 10 3.140 11.701 0.420 1.00 0.00 C ATOM 457 O ALA B 10 3.108 10.998 -0.589 1.00 0.00 O ATOM 458 CB ALA B 10 1.239 11.710 2.044 1.00 0.00 C ATOM 0 H ALA B 10 3.689 12.519 2.961 1.00 0.00 H new ATOM 0 HA ALA B 10 2.582 10.084 1.690 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.569 11.444 1.226 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.866 11.278 2.973 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.282 12.795 2.140 1.00 0.00 H new ATOM 464 N ASP B 11 3.608 12.945 0.424 1.00 0.00 N ATOM 465 CA ASP B 11 4.125 13.572 -0.788 1.00 0.00 C ATOM 466 C ASP B 11 5.588 13.204 -1.011 1.00 0.00 C ATOM 467 O ASP B 11 6.071 13.187 -2.143 1.00 0.00 O ATOM 468 CB ASP B 11 3.976 15.091 -0.705 1.00 0.00 C ATOM 469 CG ASP B 11 4.487 15.792 -1.947 1.00 0.00 C ATOM 470 OD1 ASP B 11 5.686 16.142 -1.980 1.00 0.00 O ATOM 471 OD2 ASP B 11 3.689 15.992 -2.887 1.00 0.00 O ATOM 0 H ASP B 11 3.640 13.539 1.253 1.00 0.00 H new ATOM 0 HA ASP B 11 3.544 13.203 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.926 15.342 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP B 11 4.519 15.459 0.166 1.00 0.00 H new ATOM 476 N ASP B 12 6.289 12.910 0.081 1.00 0.00 N ATOM 477 CA ASP B 12 7.695 12.539 0.011 1.00 0.00 C ATOM 478 C ASP B 12 7.855 11.072 -0.365 1.00 0.00 C ATOM 479 O ASP B 12 8.951 10.516 -0.289 1.00 0.00 O ATOM 480 CB ASP B 12 8.370 12.801 1.358 1.00 0.00 C ATOM 481 CG ASP B 12 8.255 14.250 1.792 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.148 15.047 1.436 1.00 0.00 O ATOM 483 OD2 ASP B 12 7.274 14.584 2.489 1.00 0.00 O ATOM 0 H ASP B 12 5.903 12.922 1.025 1.00 0.00 H new ATOM 0 HA ASP B 12 8.169 13.146 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.920 12.161 2.117 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.423 12.527 1.293 1.00 0.00 H new ATOM 488 N CYS B 13 6.754 10.449 -0.774 1.00 0.00 N ATOM 489 CA CYS B 13 6.770 9.043 -1.155 1.00 0.00 C ATOM 490 C CYS B 13 7.363 8.848 -2.547 1.00 0.00 C ATOM 491 O CYS B 13 8.528 8.476 -2.679 1.00 0.00 O ATOM 492 CB CYS B 13 5.360 8.461 -1.091 1.00 0.00 C ATOM 493 SG CYS B 13 4.709 8.300 0.604 1.00 0.00 S ATOM 0 H CYS B 13 5.840 10.896 -0.850 1.00 0.00 H new ATOM 0 HA CYS B 13 7.405 8.512 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.688 9.095 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.360 7.480 -1.565 1.00 0.00 H new ATOM 498 N SER B 14 6.553 9.090 -3.581 1.00 0.00 N ATOM 499 CA SER B 14 7.008 8.933 -4.960 1.00 0.00 C ATOM 500 C SER B 14 7.262 7.455 -5.233 1.00 0.00 C ATOM 501 O SER B 14 7.246 6.660 -4.297 1.00 0.00 O ATOM 502 CB SER B 14 8.278 9.761 -5.196 1.00 0.00 C ATOM 503 OG SER B 14 8.061 11.127 -4.894 1.00 0.00 O ATOM 0 H SER B 14 5.584 9.394 -3.488 1.00 0.00 H new ATOM 0 HA SER B 14 6.242 9.295 -5.646 1.00 0.00 H new ATOM 0 HB2 SER B 14 9.088 9.373 -4.578 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.593 9.661 -6.235 1.00 0.00 H new ATOM 0 HG SER B 14 8.886 11.632 -5.051 1.00 0.00 H new ATOM 509 N PRO B 15 7.476 7.048 -6.505 1.00 0.00 N ATOM 510 CA PRO B 15 7.733 5.645 -6.839 1.00 0.00 C ATOM 511 C PRO B 15 8.800 5.036 -5.938 1.00 0.00 C ATOM 512 O PRO B 15 9.971 4.950 -6.305 1.00 0.00 O ATOM 513 CB PRO B 15 8.210 5.688 -8.300 1.00 0.00 C ATOM 514 CG PRO B 15 8.418 7.133 -8.609 1.00 0.00 C ATOM 515 CD PRO B 15 7.488 7.890 -7.707 1.00 0.00 C ATOM 0 HA PRO B 15 6.848 5.024 -6.700 1.00 0.00 H new ATOM 0 HB2 PRO B 15 9.133 5.122 -8.428 1.00 0.00 H new ATOM 0 HB3 PRO B 15 7.470 5.246 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO B 15 9.454 7.424 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO B 15 8.201 7.343 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.852 8.896 -7.497 1.00 0.00 H new ATOM 0 HD3 PRO B 15 6.494 7.995 -8.141 1.00 0.00 H new ATOM 523 N LEU B 16 8.374 4.634 -4.744 1.00 0.00 N ATOM 524 CA LEU B 16 9.262 4.035 -3.754 1.00 0.00 C ATOM 525 C LEU B 16 10.006 2.834 -4.299 1.00 0.00 C ATOM 526 O LEU B 16 10.021 2.577 -5.502 1.00 0.00 O ATOM 527 CB LEU B 16 8.461 3.613 -2.525 1.00 0.00 C ATOM 528 CG LEU B 16 8.104 4.758 -1.596 1.00 0.00 C ATOM 529 CD1 LEU B 16 6.818 4.460 -0.838 1.00 0.00 C ATOM 530 CD2 LEU B 16 9.248 5.049 -0.639 1.00 0.00 C ATOM 0 H LEU B 16 7.405 4.714 -4.436 1.00 0.00 H new ATOM 0 HA LEU B 16 9.999 4.792 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU B 16 7.543 3.125 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.034 2.872 -1.968 1.00 0.00 H new ATOM 0 HG LEU B 16 7.936 5.649 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.583 5.295 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.003 4.317 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.947 3.555 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU B 16 8.972 5.873 0.018 1.00 0.00 H new ATOM 0 HD22 LEU B 16 9.457 4.162 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU B 16 10.138 5.321 -1.207 1.00 0.00 H new ATOM 542 N LYS B 17 10.631 2.107 -3.388 1.00 0.00 N ATOM 543 CA LYS B 17 11.383 0.922 -3.747 1.00 0.00 C ATOM 544 C LYS B 17 12.405 1.248 -4.831 1.00 0.00 C ATOM 545 O LYS B 17 12.825 2.398 -4.964 1.00 0.00 O ATOM 546 CB LYS B 17 10.417 -0.187 -4.183 1.00 0.00 C ATOM 547 CG LYS B 17 9.918 -1.048 -3.030 1.00 0.00 C ATOM 548 CD LYS B 17 9.291 -0.208 -1.924 1.00 0.00 C ATOM 549 CE LYS B 17 8.800 -1.076 -0.777 1.00 0.00 C ATOM 550 NZ LYS B 17 9.918 -1.782 -0.095 1.00 0.00 N ATOM 0 H LYS B 17 10.631 2.320 -2.391 1.00 0.00 H new ATOM 0 HA LYS B 17 11.938 0.564 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS B 17 9.561 0.264 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS B 17 10.915 -0.825 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS B 17 9.185 -1.764 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS B 17 10.748 -1.625 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS B 17 10.022 0.510 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS B 17 8.458 0.367 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS B 17 8.268 -0.456 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS B 17 8.086 -1.808 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 9.780 -2.810 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 10.819 -1.517 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 9.937 -1.513 0.909 1.00 0.00 H new ATOM 564 N LEU B 18 12.791 0.244 -5.607 1.00 0.00 N ATOM 565 CA LEU B 18 13.785 0.419 -6.659 1.00 0.00 C ATOM 566 C LEU B 18 14.136 -0.909 -7.294 1.00 0.00 C ATOM 567 O LEU B 18 14.115 -1.063 -8.513 1.00 0.00 O ATOM 568 CB LEU B 18 15.055 1.051 -6.092 1.00 0.00 C ATOM 569 CG LEU B 18 16.220 1.141 -7.066 1.00 0.00 C ATOM 570 CD1 LEU B 18 15.769 1.741 -8.386 1.00 0.00 C ATOM 571 CD2 LEU B 18 17.355 1.947 -6.459 1.00 0.00 C ATOM 0 H LEU B 18 12.428 -0.706 -5.527 1.00 0.00 H new ATOM 0 HA LEU B 18 13.356 1.076 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU B 18 14.817 2.055 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU B 18 15.372 0.475 -5.222 1.00 0.00 H new ATOM 0 HG LEU B 18 16.587 0.134 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU B 18 16.617 1.797 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU B 18 14.991 1.115 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU B 18 15.375 2.743 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU B 18 18.181 2.003 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU B 18 17.005 2.954 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU B 18 17.695 1.464 -5.543 1.00 0.00 H new ATOM 583 N THR B 19 14.473 -1.850 -6.444 1.00 0.00 N ATOM 584 CA THR B 19 14.844 -3.190 -6.863 1.00 0.00 C ATOM 585 C THR B 19 14.553 -4.199 -5.759 1.00 0.00 C ATOM 586 O THR B 19 14.675 -3.893 -4.573 1.00 0.00 O ATOM 587 CB THR B 19 16.337 -3.270 -7.233 1.00 0.00 C ATOM 588 OG1 THR B 19 16.648 -2.287 -8.228 1.00 0.00 O ATOM 589 CG2 THR B 19 16.698 -4.653 -7.753 1.00 0.00 C ATOM 0 H THR B 19 14.499 -1.711 -5.434 1.00 0.00 H new ATOM 0 HA THR B 19 14.248 -3.428 -7.744 1.00 0.00 H new ATOM 0 HB THR B 19 16.920 -3.076 -6.332 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.599 -2.343 -8.457 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.758 -4.681 -8.007 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.489 -5.397 -6.984 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.106 -4.874 -8.641 1.00 0.00 H new ATOM 597 N GLN B 20 14.162 -5.396 -6.162 1.00 0.00 N ATOM 598 CA GLN B 20 13.847 -6.468 -5.227 1.00 0.00 C ATOM 599 C GLN B 20 14.974 -6.661 -4.220 1.00 0.00 C ATOM 600 O GLN B 20 16.144 -6.443 -4.531 1.00 0.00 O ATOM 601 CB GLN B 20 13.594 -7.773 -5.986 1.00 0.00 C ATOM 602 CG GLN B 20 12.404 -7.703 -6.930 1.00 0.00 C ATOM 603 CD GLN B 20 12.257 -8.950 -7.777 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.652 -10.043 -7.371 1.00 0.00 O ATOM 605 NE2 GLN B 20 11.681 -8.793 -8.964 1.00 0.00 N ATOM 0 H GLN B 20 14.054 -5.654 -7.143 1.00 0.00 H new ATOM 0 HA GLN B 20 12.944 -6.190 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.486 -8.031 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.431 -8.577 -5.268 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.493 -7.553 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.513 -6.836 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.368 -7.869 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.551 -9.597 -9.578 1.00 0.00 H new ATOM 614 N GLY B 21 14.606 -7.069 -3.014 1.00 0.00 N ATOM 615 CA GLY B 21 15.590 -7.280 -1.968 1.00 0.00 C ATOM 616 C GLY B 21 15.520 -6.218 -0.888 1.00 0.00 C ATOM 617 O GLY B 21 16.411 -6.115 -0.047 1.00 0.00 O ATOM 0 H GLY B 21 13.642 -7.258 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.435 -8.261 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.588 -7.284 -2.407 1.00 0.00 H new ATOM 621 N GLN B 22 14.454 -5.425 -0.919 1.00 0.00 N ATOM 622 CA GLN B 22 14.251 -4.366 0.050 1.00 0.00 C ATOM 623 C GLN B 22 12.965 -4.610 0.822 1.00 0.00 C ATOM 624 O GLN B 22 12.118 -5.396 0.398 1.00 0.00 O ATOM 625 CB GLN B 22 14.179 -3.015 -0.658 1.00 0.00 C ATOM 626 CG GLN B 22 15.354 -2.743 -1.579 1.00 0.00 C ATOM 627 CD GLN B 22 15.107 -1.573 -2.513 1.00 0.00 C ATOM 628 OE1 GLN B 22 15.645 -1.521 -3.617 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.283 -0.628 -2.072 1.00 0.00 N ATOM 0 H GLN B 22 13.712 -5.502 -1.615 1.00 0.00 H new ATOM 0 HA GLN B 22 15.090 -4.359 0.745 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.257 -2.967 -1.237 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.126 -2.225 0.091 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.242 -2.543 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.562 -3.636 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.858 -0.712 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.075 0.181 -2.657 1.00 0.00 H new ATOM 638 N GLU B 23 12.825 -3.942 1.951 1.00 0.00 N ATOM 639 CA GLU B 23 11.622 -4.093 2.774 1.00 0.00 C ATOM 640 C GLU B 23 11.152 -2.754 3.322 1.00 0.00 C ATOM 641 O GLU B 23 11.656 -1.702 2.936 1.00 0.00 O ATOM 642 CB GLU B 23 11.868 -5.060 3.933 1.00 0.00 C ATOM 643 CG GLU B 23 12.324 -6.439 3.491 1.00 0.00 C ATOM 644 CD GLU B 23 12.632 -7.354 4.660 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.710 -8.063 5.118 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.793 -7.363 5.118 1.00 0.00 O ATOM 0 H GLU B 23 13.518 -3.293 2.324 1.00 0.00 H new ATOM 0 HA GLU B 23 10.843 -4.500 2.129 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.620 -4.634 4.597 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.950 -5.159 4.513 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.549 -6.893 2.873 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.212 -6.341 2.867 1.00 0.00 H new ATOM 653 N LEU B 24 10.172 -2.804 4.220 1.00 0.00 N ATOM 654 CA LEU B 24 9.636 -1.594 4.827 1.00 0.00 C ATOM 655 C LEU B 24 8.940 -1.893 6.153 1.00 0.00 C ATOM 656 O LEU B 24 8.323 -2.945 6.324 1.00 0.00 O ATOM 657 CB LEU B 24 8.651 -0.909 3.878 1.00 0.00 C ATOM 658 CG LEU B 24 7.908 0.285 4.483 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.456 1.591 3.937 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.414 0.173 4.213 1.00 0.00 C ATOM 0 H LEU B 24 9.735 -3.668 4.541 1.00 0.00 H new ATOM 0 HA LEU B 24 10.477 -0.928 5.021 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.193 -0.573 2.994 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.919 -1.644 3.543 1.00 0.00 H new ATOM 0 HG LEU B 24 8.064 0.277 5.562 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.914 2.427 4.380 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.514 1.673 4.184 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.334 1.612 2.854 1.00 0.00 H new ATOM 0 HD21 LEU B 24 5.900 1.029 4.650 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.239 0.155 3.137 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.032 -0.745 4.659 1.00 0.00 H new ATOM 672 N VAL B 25 9.050 -0.950 7.085 1.00 0.00 N ATOM 673 CA VAL B 25 8.426 -1.077 8.397 1.00 0.00 C ATOM 674 C VAL B 25 7.842 0.264 8.834 1.00 0.00 C ATOM 675 O VAL B 25 8.564 1.150 9.295 1.00 0.00 O ATOM 676 CB VAL B 25 9.428 -1.571 9.462 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.849 -1.426 10.863 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.818 -3.017 9.192 1.00 0.00 C ATOM 0 H VAL B 25 9.570 -0.083 6.953 1.00 0.00 H new ATOM 0 HA VAL B 25 7.630 -1.817 8.309 1.00 0.00 H new ATOM 0 HB VAL B 25 10.323 -0.952 9.401 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.574 -1.781 11.595 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.622 -0.378 11.056 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.936 -2.016 10.942 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.525 -3.351 9.951 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.928 -3.646 9.223 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.281 -3.091 8.208 1.00 0.00 H new ATOM 688 N LEU B 26 6.530 0.410 8.675 1.00 0.00 N ATOM 689 CA LEU B 26 5.848 1.646 9.042 1.00 0.00 C ATOM 690 C LEU B 26 5.089 1.492 10.356 1.00 0.00 C ATOM 691 O LEU B 26 4.578 0.417 10.667 1.00 0.00 O ATOM 692 CB LEU B 26 4.885 2.066 7.928 1.00 0.00 C ATOM 693 CG LEU B 26 3.994 3.269 8.249 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.836 4.517 8.461 1.00 0.00 C ATOM 695 CD2 LEU B 26 2.977 3.492 7.140 1.00 0.00 C ATOM 0 H LEU B 26 5.918 -0.312 8.295 1.00 0.00 H new ATOM 0 HA LEU B 26 6.604 2.419 9.177 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.467 2.294 7.035 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.246 1.217 7.684 1.00 0.00 H new ATOM 0 HG LEU B 26 3.454 3.059 9.172 1.00 0.00 H new ATOM 0 HD11 LEU B 26 4.185 5.361 8.688 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.523 4.355 9.291 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.404 4.731 7.556 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.353 4.351 7.386 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.498 3.679 6.201 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.350 2.606 7.037 1.00 0.00 H new ATOM 707 N THR B 27 5.026 2.576 11.124 1.00 0.00 N ATOM 708 CA THR B 27 4.330 2.568 12.406 1.00 0.00 C ATOM 709 C THR B 27 3.608 3.890 12.642 1.00 0.00 C ATOM 710 O THR B 27 4.238 4.915 12.898 1.00 0.00 O ATOM 711 CB THR B 27 5.305 2.310 13.570 1.00 0.00 C ATOM 712 OG1 THR B 27 6.017 1.087 13.351 1.00 0.00 O ATOM 713 CG2 THR B 27 4.560 2.235 14.894 1.00 0.00 C ATOM 0 H THR B 27 5.449 3.472 10.880 1.00 0.00 H new ATOM 0 HA THR B 27 3.600 1.759 12.370 1.00 0.00 H new ATOM 0 HB THR B 27 6.010 3.140 13.613 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.636 0.931 14.095 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.270 2.052 15.701 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.041 3.177 15.073 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.835 1.422 14.858 1.00 0.00 H new ATOM 721 N LEU B 28 2.281 3.859 12.553 1.00 0.00 N ATOM 722 CA LEU B 28 1.474 5.056 12.759 1.00 0.00 C ATOM 723 C LEU B 28 0.513 4.874 13.933 1.00 0.00 C ATOM 724 O LEU B 28 0.168 3.747 14.290 1.00 0.00 O ATOM 725 CB LEU B 28 0.683 5.384 11.488 1.00 0.00 C ATOM 726 CG LEU B 28 1.534 5.611 10.235 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.644 5.813 9.019 1.00 0.00 C ATOM 728 CD2 LEU B 28 2.461 6.803 10.424 1.00 0.00 C ATOM 0 H LEU B 28 1.743 3.019 12.340 1.00 0.00 H new ATOM 0 HA LEU B 28 2.147 5.882 12.989 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.015 4.570 11.292 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.086 6.278 11.670 1.00 0.00 H new ATOM 0 HG LEU B 28 2.148 4.725 10.071 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.264 5.973 8.137 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.024 4.929 8.871 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.005 6.682 9.176 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.057 6.947 9.523 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.869 7.698 10.614 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.123 6.619 11.270 1.00 0.00 H new ATOM 740 N PRO B 29 0.071 5.985 14.550 1.00 0.00 N ATOM 741 CA PRO B 29 -0.851 5.941 15.686 1.00 0.00 C ATOM 742 C PRO B 29 -2.298 5.740 15.249 1.00 0.00 C ATOM 743 O PRO B 29 -2.695 6.168 14.165 1.00 0.00 O ATOM 744 CB PRO B 29 -0.671 7.316 16.324 1.00 0.00 C ATOM 745 CG PRO B 29 -0.325 8.214 15.186 1.00 0.00 C ATOM 746 CD PRO B 29 0.435 7.371 14.193 1.00 0.00 C ATOM 0 HA PRO B 29 -0.641 5.109 16.358 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.582 7.643 16.825 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.119 7.305 17.075 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.225 8.631 14.733 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.280 9.055 15.525 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.150 7.607 13.168 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.510 7.534 14.271 1.00 0.00 H new ATOM 754 N SER B 30 -3.082 5.084 16.098 1.00 0.00 N ATOM 755 CA SER B 30 -4.486 4.826 15.799 1.00 0.00 C ATOM 756 C SER B 30 -5.297 4.654 17.080 1.00 0.00 C ATOM 757 O SER B 30 -6.472 5.015 17.133 1.00 0.00 O ATOM 758 CB SER B 30 -4.622 3.581 14.923 1.00 0.00 C ATOM 759 OG SER B 30 -4.039 2.451 15.548 1.00 0.00 O ATOM 0 H SER B 30 -2.769 4.721 16.999 1.00 0.00 H new ATOM 0 HA SER B 30 -4.879 5.687 15.258 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.676 3.387 14.723 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.142 3.756 13.960 1.00 0.00 H new ATOM 0 HG SER B 30 -3.997 1.709 14.909 1.00 0.00 H new ATOM 765 N ASN B 31 -4.657 4.101 18.108 1.00 0.00 N ATOM 766 CA ASN B 31 -5.313 3.877 19.394 1.00 0.00 C ATOM 767 C ASN B 31 -6.519 2.951 19.240 1.00 0.00 C ATOM 768 O ASN B 31 -7.584 3.378 18.799 1.00 0.00 O ATOM 769 CB ASN B 31 -5.752 5.209 20.007 1.00 0.00 C ATOM 770 CG ASN B 31 -4.588 6.151 20.239 1.00 0.00 C ATOM 771 OD1 ASN B 31 -3.464 5.717 20.490 1.00 0.00 O ATOM 772 ND2 ASN B 31 -4.853 7.450 20.161 1.00 0.00 N ATOM 0 H ASN B 31 -3.683 3.799 18.075 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.594 3.398 20.059 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.477 5.687 19.348 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.258 5.021 20.954 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.110 8.132 20.312 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.800 7.766 19.950 1.00 0.00 H new ATOM 779 N PRO B 32 -6.369 1.662 19.606 1.00 0.00 N ATOM 780 CA PRO B 32 -7.458 0.681 19.504 1.00 0.00 C ATOM 781 C PRO B 32 -8.667 1.065 20.355 1.00 0.00 C ATOM 782 O PRO B 32 -9.731 0.453 20.249 1.00 0.00 O ATOM 783 CB PRO B 32 -6.832 -0.618 20.027 1.00 0.00 C ATOM 784 CG PRO B 32 -5.360 -0.412 19.922 1.00 0.00 C ATOM 785 CD PRO B 32 -5.137 1.056 20.139 1.00 0.00 C ATOM 0 HA PRO B 32 -7.835 0.605 18.484 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.130 -0.812 21.057 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.153 -1.476 19.436 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.828 -1.003 20.668 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.990 -0.724 18.945 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.996 1.291 21.194 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.252 1.412 19.612 1.00 0.00 H new ATOM 793 N THR B 33 -8.495 2.078 21.197 1.00 0.00 N ATOM 794 CA THR B 33 -9.571 2.540 22.067 1.00 0.00 C ATOM 795 C THR B 33 -10.633 3.300 21.278 1.00 0.00 C ATOM 796 O THR B 33 -11.807 3.306 21.648 1.00 0.00 O ATOM 797 CB THR B 33 -9.029 3.448 23.189 1.00 0.00 C ATOM 798 OG1 THR B 33 -7.998 2.770 23.914 1.00 0.00 O ATOM 799 CG2 THR B 33 -10.142 3.855 24.145 1.00 0.00 C ATOM 0 H THR B 33 -7.621 2.595 21.296 1.00 0.00 H new ATOM 0 HA THR B 33 -10.023 1.653 22.511 1.00 0.00 H new ATOM 0 HB THR B 33 -8.620 4.347 22.729 1.00 0.00 H new ATOM 0 HG1 THR B 33 -7.658 3.355 24.623 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.734 4.495 24.927 1.00 0.00 H new ATOM 0 HG22 THR B 33 -10.912 4.398 23.597 1.00 0.00 H new ATOM 0 HG23 THR B 33 -10.578 2.964 24.596 1.00 0.00 H new ATOM 807 N THR B 34 -10.216 3.937 20.188 1.00 0.00 N ATOM 808 CA THR B 34 -11.135 4.701 19.355 1.00 0.00 C ATOM 809 C THR B 34 -12.031 3.782 18.528 1.00 0.00 C ATOM 810 O THR B 34 -13.223 3.649 18.806 1.00 0.00 O ATOM 811 CB THR B 34 -10.381 5.658 18.411 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.429 4.930 17.627 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.668 6.744 19.202 1.00 0.00 C ATOM 0 H THR B 34 -9.249 3.939 19.862 1.00 0.00 H new ATOM 0 HA THR B 34 -11.755 5.289 20.032 1.00 0.00 H new ATOM 0 HB THR B 34 -11.109 6.127 17.750 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.684 4.647 18.197 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.142 7.408 18.516 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.398 7.317 19.773 1.00 0.00 H new ATOM 0 HG23 THR B 34 -8.952 6.286 19.884 1.00 0.00 H new ATOM 821 N GLY B 35 -11.451 3.151 17.509 1.00 0.00 N ATOM 822 CA GLY B 35 -12.213 2.260 16.660 1.00 0.00 C ATOM 823 C GLY B 35 -11.835 2.406 15.204 1.00 0.00 C ATOM 824 O GLY B 35 -12.023 1.486 14.407 1.00 0.00 O ATOM 0 H GLY B 35 -10.466 3.243 17.259 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.049 1.230 16.976 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.277 2.465 16.781 1.00 0.00 H new ATOM 828 N PHE B 36 -11.298 3.570 14.853 1.00 0.00 N ATOM 829 CA PHE B 36 -10.886 3.840 13.488 1.00 0.00 C ATOM 830 C PHE B 36 -9.462 3.370 13.245 1.00 0.00 C ATOM 831 O PHE B 36 -8.494 4.054 13.581 1.00 0.00 O ATOM 832 CB PHE B 36 -10.987 5.327 13.187 1.00 0.00 C ATOM 833 CG PHE B 36 -12.391 5.805 12.945 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.348 5.730 13.945 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.753 6.327 11.714 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.639 6.168 13.722 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.043 6.766 11.485 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.986 6.687 12.489 1.00 0.00 C ATOM 0 H PHE B 36 -11.139 4.342 15.501 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.554 3.291 12.825 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.562 5.886 14.020 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.381 5.552 12.310 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.081 5.324 14.910 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.019 6.392 10.925 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.375 6.105 14.509 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.313 7.171 10.521 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.994 7.030 12.312 1.00 0.00 H new ATOM 848 N ARG B 37 -9.351 2.191 12.670 1.00 0.00 N ATOM 849 CA ARG B 37 -8.059 1.597 12.355 1.00 0.00 C ATOM 850 C ARG B 37 -7.599 2.035 10.968 1.00 0.00 C ATOM 851 O ARG B 37 -8.017 3.079 10.468 1.00 0.00 O ATOM 852 CB ARG B 37 -8.156 0.073 12.409 1.00 0.00 C ATOM 853 CG ARG B 37 -6.945 -0.599 13.032 1.00 0.00 C ATOM 854 CD ARG B 37 -6.801 -0.242 14.503 1.00 0.00 C ATOM 855 NE ARG B 37 -5.652 -0.903 15.116 1.00 0.00 N ATOM 856 CZ ARG B 37 -5.083 -0.495 16.246 1.00 0.00 C ATOM 857 NH1 ARG B 37 -5.553 0.570 16.882 1.00 0.00 N ATOM 858 NH2 ARG B 37 -4.043 -1.151 16.741 1.00 0.00 N ATOM 0 H ARG B 37 -10.150 1.614 12.406 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.331 1.936 13.092 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.045 -0.205 12.975 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.291 -0.309 11.397 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.034 -1.680 12.927 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.045 -0.299 12.495 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.695 0.838 14.605 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.709 -0.525 15.035 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.264 -1.724 14.651 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -6.353 1.078 16.504 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -5.115 0.881 17.749 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.678 -1.970 16.255 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.607 -0.837 17.608 1.00 0.00 H new ATOM 872 N TRP B 38 -6.740 1.231 10.352 1.00 0.00 N ATOM 873 CA TRP B 38 -6.236 1.533 9.020 1.00 0.00 C ATOM 874 C TRP B 38 -6.469 0.360 8.075 1.00 0.00 C ATOM 875 O TRP B 38 -5.968 -0.742 8.303 1.00 0.00 O ATOM 876 CB TRP B 38 -4.745 1.871 9.074 1.00 0.00 C ATOM 877 CG TRP B 38 -4.436 3.094 9.884 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.191 3.148 11.225 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.335 4.437 9.403 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.944 4.445 11.608 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.028 5.255 10.507 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.475 5.032 8.144 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.858 6.633 10.390 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.306 6.399 8.030 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.001 7.187 9.148 1.00 0.00 C ATOM 0 H TRP B 38 -6.379 0.366 10.754 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.780 2.398 8.642 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.203 1.022 9.492 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.377 2.015 8.058 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.191 2.296 11.889 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.733 4.754 12.557 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.711 4.433 7.277 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.622 7.242 11.250 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.411 6.868 7.063 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.876 8.253 9.026 1.00 0.00 H new ATOM 896 N GLU B 39 -7.234 0.603 7.014 1.00 0.00 N ATOM 897 CA GLU B 39 -7.534 -0.438 6.037 1.00 0.00 C ATOM 898 C GLU B 39 -6.589 -0.351 4.841 1.00 0.00 C ATOM 899 O GLU B 39 -6.111 0.729 4.494 1.00 0.00 O ATOM 900 CB GLU B 39 -8.985 -0.326 5.566 1.00 0.00 C ATOM 901 CG GLU B 39 -9.426 -1.473 4.670 1.00 0.00 C ATOM 902 CD GLU B 39 -10.872 -1.353 4.235 1.00 0.00 C ATOM 903 OE1 GLU B 39 -11.760 -1.792 4.997 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.119 -0.820 3.133 1.00 0.00 O ATOM 0 H GLU B 39 -7.656 1.509 6.810 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.392 -1.405 6.520 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.639 -0.285 6.437 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.112 0.613 5.028 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -8.787 -1.506 3.788 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.287 -2.416 5.199 1.00 0.00 H new ATOM 911 N LEU B 40 -6.325 -1.496 4.219 1.00 0.00 N ATOM 912 CA LEU B 40 -5.434 -1.551 3.065 1.00 0.00 C ATOM 913 C LEU B 40 -6.220 -1.651 1.763 1.00 0.00 C ATOM 914 O LEU B 40 -6.735 -2.715 1.418 1.00 0.00 O ATOM 915 CB LEU B 40 -4.483 -2.744 3.186 1.00 0.00 C ATOM 916 CG LEU B 40 -3.385 -2.592 4.240 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.717 -3.931 4.509 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.357 -1.564 3.793 1.00 0.00 C ATOM 0 H LEU B 40 -6.715 -2.397 4.494 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.856 -0.627 3.047 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.068 -3.634 3.419 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.014 -2.915 2.217 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.842 -2.243 5.166 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.938 -3.805 5.261 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.460 -4.642 4.871 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.273 -4.308 3.587 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.583 -1.468 4.555 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.905 -1.886 2.855 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.845 -0.600 3.649 1.00 0.00 H new ATOM 930 N ARG B 41 -6.312 -0.536 1.047 1.00 0.00 N ATOM 931 CA ARG B 41 -7.023 -0.504 -0.223 1.00 0.00 C ATOM 932 C ARG B 41 -6.130 -1.030 -1.340 1.00 0.00 C ATOM 933 O ARG B 41 -6.600 -1.344 -2.432 1.00 0.00 O ATOM 934 CB ARG B 41 -7.482 0.922 -0.544 1.00 0.00 C ATOM 935 CG ARG B 41 -8.456 1.495 0.474 1.00 0.00 C ATOM 936 CD ARG B 41 -9.746 0.693 0.531 1.00 0.00 C ATOM 937 NE ARG B 41 -10.423 0.650 -0.763 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.495 -0.097 -1.011 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.010 -0.861 -0.057 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.053 -0.080 -2.214 1.00 0.00 N ATOM 0 H ARG B 41 -5.903 0.356 1.325 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.902 -1.143 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.608 1.571 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.952 0.930 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.989 1.504 1.459 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.682 2.530 0.219 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.527 -0.323 0.859 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.412 1.131 1.274 1.00 0.00 H new ATOM 0 HE ARG B 41 -10.052 1.226 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.584 -0.877 0.870 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.832 -1.433 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.660 0.506 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.875 -0.653 -2.403 1.00 0.00 H new ATOM 954 N ASN B 42 -4.835 -1.120 -1.050 1.00 0.00 N ATOM 955 CA ASN B 42 -3.860 -1.611 -2.015 1.00 0.00 C ATOM 956 C ASN B 42 -2.531 -1.915 -1.325 1.00 0.00 C ATOM 957 O ASN B 42 -1.647 -1.061 -1.270 1.00 0.00 O ATOM 958 CB ASN B 42 -3.650 -0.585 -3.133 1.00 0.00 C ATOM 959 CG ASN B 42 -2.784 -1.116 -4.260 1.00 0.00 C ATOM 960 OD1 ASN B 42 -1.963 -2.011 -4.063 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.960 -0.559 -5.453 1.00 0.00 N ATOM 0 H ASN B 42 -4.436 -0.857 -0.149 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.245 -2.532 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.619 -0.287 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.189 0.311 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.403 -0.871 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.652 0.181 -5.573 1.00 0.00 H new ATOM 968 N PRO B 43 -2.375 -3.137 -0.783 1.00 0.00 N ATOM 969 CA PRO B 43 -1.147 -3.540 -0.089 1.00 0.00 C ATOM 970 C PRO B 43 0.003 -3.828 -1.050 1.00 0.00 C ATOM 971 O PRO B 43 0.978 -4.486 -0.682 1.00 0.00 O ATOM 972 CB PRO B 43 -1.564 -4.817 0.639 1.00 0.00 C ATOM 973 CG PRO B 43 -2.646 -5.391 -0.209 1.00 0.00 C ATOM 974 CD PRO B 43 -3.381 -4.216 -0.796 1.00 0.00 C ATOM 0 HA PRO B 43 -0.773 -2.754 0.567 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.728 -5.509 0.738 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.921 -4.602 1.646 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.232 -6.024 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.316 -6.014 0.383 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.731 -4.426 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.258 -3.954 -0.203 1.00 0.00 H new ATOM 982 N ALA B 44 -0.113 -3.331 -2.278 1.00 0.00 N ATOM 983 CA ALA B 44 0.917 -3.537 -3.288 1.00 0.00 C ATOM 984 C ALA B 44 1.194 -5.021 -3.500 1.00 0.00 C ATOM 985 O ALA B 44 2.286 -5.404 -3.917 1.00 0.00 O ATOM 986 CB ALA B 44 2.195 -2.812 -2.894 1.00 0.00 C ATOM 0 H ALA B 44 -0.912 -2.782 -2.597 1.00 0.00 H new ATOM 0 HA ALA B 44 0.552 -3.125 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.956 -2.975 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.994 -1.744 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.552 -3.197 -1.939 1.00 0.00 H new ATOM 992 N ALA B 45 0.194 -5.849 -3.217 1.00 0.00 N ATOM 993 CA ALA B 45 0.327 -7.293 -3.376 1.00 0.00 C ATOM 994 C ALA B 45 0.612 -7.664 -4.829 1.00 0.00 C ATOM 995 O ALA B 45 0.925 -8.814 -5.136 1.00 0.00 O ATOM 996 CB ALA B 45 -0.930 -7.995 -2.887 1.00 0.00 C ATOM 0 H ALA B 45 -0.718 -5.545 -2.876 1.00 0.00 H new ATOM 0 HA ALA B 45 1.173 -7.623 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.817 -9.072 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -1.088 -7.766 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.787 -7.651 -3.465 1.00 0.00 H new ATOM 1002 N SER B 46 0.501 -6.682 -5.717 1.00 0.00 N ATOM 1003 CA SER B 46 0.745 -6.902 -7.138 1.00 0.00 C ATOM 1004 C SER B 46 2.222 -7.183 -7.403 1.00 0.00 C ATOM 1005 O SER B 46 2.563 -7.953 -8.301 1.00 0.00 O ATOM 1006 CB SER B 46 0.292 -5.686 -7.947 1.00 0.00 C ATOM 1007 OG SER B 46 -1.090 -5.437 -7.764 1.00 0.00 O ATOM 0 H SER B 46 0.243 -5.725 -5.477 1.00 0.00 H new ATOM 0 HA SER B 46 0.169 -7.773 -7.449 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.866 -4.810 -7.644 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.498 -5.852 -9.004 1.00 0.00 H new ATOM 0 HG SER B 46 -1.354 -4.654 -8.290 1.00 0.00 H new ATOM 1013 N VAL B 47 3.094 -6.556 -6.619 1.00 0.00 N ATOM 1014 CA VAL B 47 4.533 -6.744 -6.778 1.00 0.00 C ATOM 1015 C VAL B 47 5.204 -7.092 -5.451 1.00 0.00 C ATOM 1016 O VAL B 47 6.021 -8.008 -5.382 1.00 0.00 O ATOM 1017 CB VAL B 47 5.206 -5.491 -7.374 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.718 -5.243 -8.794 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.950 -4.274 -6.501 1.00 0.00 C ATOM 0 H VAL B 47 2.831 -5.916 -5.870 1.00 0.00 H new ATOM 0 HA VAL B 47 4.661 -7.577 -7.469 1.00 0.00 H new ATOM 0 HB VAL B 47 6.281 -5.667 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.205 -4.355 -9.196 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.961 -6.103 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.638 -5.093 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.434 -3.402 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.877 -4.096 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.355 -4.449 -5.504 1.00 0.00 H new ATOM 1029 N LEU B 48 4.858 -6.358 -4.397 1.00 0.00 N ATOM 1030 CA LEU B 48 5.441 -6.599 -3.082 1.00 0.00 C ATOM 1031 C LEU B 48 4.734 -7.748 -2.374 1.00 0.00 C ATOM 1032 O LEU B 48 3.505 -7.822 -2.361 1.00 0.00 O ATOM 1033 CB LEU B 48 5.366 -5.336 -2.222 1.00 0.00 C ATOM 1034 CG LEU B 48 5.705 -4.030 -2.944 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.630 -2.856 -1.978 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.084 -4.112 -3.581 1.00 0.00 C ATOM 0 H LEU B 48 4.181 -5.596 -4.428 1.00 0.00 H new ATOM 0 HA LEU B 48 6.487 -6.870 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.359 -5.255 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.045 -5.451 -1.377 1.00 0.00 H new ATOM 0 HG LEU B 48 4.973 -3.873 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.874 -1.934 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.622 -2.785 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.341 -3.007 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.306 -3.174 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.832 -4.292 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.104 -4.929 -4.302 1.00 0.00 H new ATOM 1048 N LYS B 49 5.520 -8.645 -1.787 1.00 0.00 N ATOM 1049 CA LYS B 49 4.971 -9.793 -1.076 1.00 0.00 C ATOM 1050 C LYS B 49 4.762 -9.464 0.397 1.00 0.00 C ATOM 1051 O LYS B 49 5.603 -8.822 1.027 1.00 0.00 O ATOM 1052 CB LYS B 49 5.903 -10.999 -1.216 1.00 0.00 C ATOM 1053 CG LYS B 49 5.366 -12.263 -0.569 1.00 0.00 C ATOM 1054 CD LYS B 49 6.375 -13.395 -0.640 1.00 0.00 C ATOM 1055 CE LYS B 49 7.559 -13.150 0.283 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.544 -14.265 0.231 1.00 0.00 N ATOM 0 H LYS B 49 6.539 -8.599 -1.790 1.00 0.00 H new ATOM 0 HA LYS B 49 4.005 -10.038 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.079 -11.190 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.868 -10.755 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.116 -12.062 0.473 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.444 -12.564 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.890 -14.333 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS B 49 6.729 -13.504 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS B 49 8.051 -12.218 0.003 1.00 0.00 H new ATOM 0 HE3 LYS B 49 7.203 -13.028 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.335 -14.059 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.082 -15.150 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.904 -14.365 -0.740 1.00 0.00 H new ATOM 1070 N ARG B 50 3.634 -9.911 0.943 1.00 0.00 N ATOM 1071 CA ARG B 50 3.312 -9.663 2.344 1.00 0.00 C ATOM 1072 C ARG B 50 3.976 -10.700 3.245 1.00 0.00 C ATOM 1073 O ARG B 50 3.996 -11.889 2.928 1.00 0.00 O ATOM 1074 CB ARG B 50 1.796 -9.685 2.551 1.00 0.00 C ATOM 1075 CG ARG B 50 1.373 -9.379 3.978 1.00 0.00 C ATOM 1076 CD ARG B 50 -0.140 -9.383 4.124 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.561 -9.087 5.490 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.832 -8.998 5.868 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.805 -9.179 4.985 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.132 -8.727 7.131 1.00 0.00 N ATOM 0 H ARG B 50 2.929 -10.446 0.436 1.00 0.00 H new ATOM 0 HA ARG B 50 3.694 -8.678 2.612 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.336 -8.959 1.881 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.413 -10.666 2.270 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.807 -10.117 4.653 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.766 -8.406 4.274 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.571 -8.647 3.445 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.530 -10.357 3.828 1.00 0.00 H new ATOM 0 HE ARG B 50 0.162 -8.940 6.195 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.579 -9.387 4.012 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.779 -9.110 5.279 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.387 -8.587 7.813 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.108 -8.659 7.420 1.00 0.00 H new ATOM 1349 N GLU B 71 0.959 0.388 18.816 1.00 0.00 N ATOM 1350 CA GLU B 71 0.366 1.001 17.631 1.00 0.00 C ATOM 1351 C GLU B 71 0.402 0.048 16.439 1.00 0.00 C ATOM 1352 O GLU B 71 0.851 -1.093 16.557 1.00 0.00 O ATOM 1353 CB GLU B 71 1.088 2.306 17.287 1.00 0.00 C ATOM 1354 CG GLU B 71 0.901 3.396 18.330 1.00 0.00 C ATOM 1355 CD GLU B 71 1.586 3.071 19.644 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.798 3.345 19.765 1.00 0.00 O ATOM 1357 OE2 GLU B 71 0.909 2.545 20.553 1.00 0.00 O ATOM 0 HA GLU B 71 -0.677 1.223 17.855 1.00 0.00 H new ATOM 0 HB2 GLU B 71 2.153 2.103 17.172 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.727 2.669 16.325 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.294 4.336 17.942 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -0.164 3.545 18.507 1.00 0.00 H new ATOM 1364 N SER B 72 -0.077 0.523 15.293 1.00 0.00 N ATOM 1365 CA SER B 72 -0.106 -0.288 14.081 1.00 0.00 C ATOM 1366 C SER B 72 1.301 -0.514 13.536 1.00 0.00 C ATOM 1367 O SER B 72 2.185 0.324 13.704 1.00 0.00 O ATOM 1368 CB SER B 72 -0.976 0.382 13.017 1.00 0.00 C ATOM 1369 OG SER B 72 -1.028 -0.397 11.836 1.00 0.00 O ATOM 0 H SER B 72 -0.450 1.465 15.179 1.00 0.00 H new ATOM 0 HA SER B 72 -0.534 -1.258 14.336 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.984 0.527 13.405 1.00 0.00 H new ATOM 0 HB3 SER B 72 -0.578 1.370 12.787 1.00 0.00 H new ATOM 0 HG SER B 72 -1.101 0.194 11.057 1.00 0.00 H new ATOM 1375 N THR B 73 1.496 -1.656 12.882 1.00 0.00 N ATOM 1376 CA THR B 73 2.791 -1.998 12.305 1.00 0.00 C ATOM 1377 C THR B 73 2.622 -2.688 10.954 1.00 0.00 C ATOM 1378 O THR B 73 1.835 -3.624 10.819 1.00 0.00 O ATOM 1379 CB THR B 73 3.597 -2.918 13.244 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.805 -2.271 14.505 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.942 -3.278 12.629 1.00 0.00 C ATOM 0 H THR B 73 0.772 -2.360 12.739 1.00 0.00 H new ATOM 0 HA THR B 73 3.337 -1.064 12.168 1.00 0.00 H new ATOM 0 HB THR B 73 3.026 -3.834 13.394 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.316 -2.863 15.096 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.492 -3.927 13.310 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.783 -3.796 11.683 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.516 -2.369 12.452 1.00 0.00 H new ATOM 1389 N TRP B 74 3.364 -2.215 9.958 1.00 0.00 N ATOM 1390 CA TRP B 74 3.293 -2.783 8.616 1.00 0.00 C ATOM 1391 C TRP B 74 4.661 -3.255 8.141 1.00 0.00 C ATOM 1392 O TRP B 74 5.654 -2.537 8.265 1.00 0.00 O ATOM 1393 CB TRP B 74 2.732 -1.756 7.631 1.00 0.00 C ATOM 1394 CG TRP B 74 1.278 -1.463 7.835 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.226 -2.266 7.502 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.713 -0.278 8.407 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.957 -1.656 7.836 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.685 -0.435 8.395 1.00 0.00 C ATOM 1399 CE3 TRP B 74 1.254 0.898 8.935 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.548 0.541 8.884 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 0.395 1.865 9.422 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -0.993 1.682 9.394 1.00 0.00 C ATOM 0 H TRP B 74 4.021 -1.441 10.054 1.00 0.00 H new ATOM 0 HA TRP B 74 2.627 -3.645 8.657 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.298 -0.829 7.724 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.882 -2.120 6.615 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.312 -3.240 7.043 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.888 -2.048 7.692 1.00 0.00 H new ATOM 0 HE3 TRP B 74 2.323 1.048 8.962 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -2.619 0.402 8.862 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.801 2.778 9.831 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -1.637 2.457 9.783 1.00 0.00 H new ATOM 1413 N ARG B 75 4.703 -4.464 7.591 1.00 0.00 N ATOM 1414 CA ARG B 75 5.943 -5.039 7.081 1.00 0.00 C ATOM 1415 C ARG B 75 5.746 -5.564 5.664 1.00 0.00 C ATOM 1416 O ARG B 75 4.876 -6.402 5.420 1.00 0.00 O ATOM 1417 CB ARG B 75 6.425 -6.169 7.992 1.00 0.00 C ATOM 1418 CG ARG B 75 7.007 -5.682 9.308 1.00 0.00 C ATOM 1419 CD ARG B 75 7.754 -6.793 10.023 1.00 0.00 C ATOM 1420 NE ARG B 75 8.462 -6.308 11.206 1.00 0.00 N ATOM 1421 CZ ARG B 75 9.353 -7.029 11.878 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.637 -8.265 11.494 1.00 0.00 N ATOM 1423 NH2 ARG B 75 9.961 -6.514 12.936 1.00 0.00 N ATOM 0 H ARG B 75 3.888 -5.068 7.487 1.00 0.00 H new ATOM 0 HA ARG B 75 6.699 -4.254 7.063 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.590 -6.839 8.199 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.179 -6.753 7.465 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.682 -4.847 9.123 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.206 -5.309 9.947 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.050 -7.572 10.316 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.467 -7.250 9.337 1.00 0.00 H new ATOM 0 HE ARG B 75 8.261 -5.363 11.534 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.171 -8.666 10.680 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.322 -8.815 12.012 1.00 0.00 H new ATOM 0 HH21 ARG B 75 9.745 -5.563 13.236 1.00 0.00 H new ATOM 0 HH22 ARG B 75 10.645 -7.068 13.451 1.00 0.00 H new ATOM 1437 N PHE B 76 6.556 -5.072 4.732 1.00 0.00 N ATOM 1438 CA PHE B 76 6.456 -5.496 3.339 1.00 0.00 C ATOM 1439 C PHE B 76 7.825 -5.824 2.752 1.00 0.00 C ATOM 1440 O PHE B 76 8.841 -5.257 3.155 1.00 0.00 O ATOM 1441 CB PHE B 76 5.782 -4.409 2.500 1.00 0.00 C ATOM 1442 CG PHE B 76 4.357 -4.139 2.897 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.335 -4.962 2.452 1.00 0.00 C ATOM 1444 CD2 PHE B 76 4.043 -3.063 3.709 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.024 -4.717 2.813 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.734 -2.813 4.073 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.722 -3.640 3.625 1.00 0.00 C ATOM 0 H PHE B 76 7.286 -4.383 4.914 1.00 0.00 H new ATOM 0 HA PHE B 76 5.850 -6.402 3.315 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.356 -3.486 2.587 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.809 -4.703 1.451 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.566 -5.804 1.816 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.829 -2.412 4.062 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.236 -5.366 2.461 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.502 -1.971 4.708 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.698 -3.446 3.908 1.00 0.00 H new ATOM 1457 N ARG B 77 7.835 -6.753 1.797 1.00 0.00 N ATOM 1458 CA ARG B 77 9.065 -7.168 1.130 1.00 0.00 C ATOM 1459 C ARG B 77 8.906 -7.069 -0.386 1.00 0.00 C ATOM 1460 O ARG B 77 7.794 -7.160 -0.907 1.00 0.00 O ATOM 1461 CB ARG B 77 9.424 -8.606 1.524 1.00 0.00 C ATOM 1462 CG ARG B 77 10.526 -9.225 0.674 1.00 0.00 C ATOM 1463 CD ARG B 77 11.878 -8.590 0.951 1.00 0.00 C ATOM 1464 NE ARG B 77 12.959 -9.282 0.254 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.225 -9.272 0.663 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.567 -8.604 1.756 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.148 -9.932 -0.021 1.00 0.00 N ATOM 0 H ARG B 77 6.998 -7.234 1.467 1.00 0.00 H new ATOM 0 HA ARG B 77 9.870 -6.504 1.444 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.735 -8.619 2.569 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.531 -9.226 1.450 1.00 0.00 H new ATOM 0 HG2 ARG B 77 10.580 -10.295 0.873 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.279 -9.109 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.858 -7.545 0.642 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.072 -8.602 2.024 1.00 0.00 H new ATOM 0 HE ARG B 77 12.731 -9.802 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.859 -8.096 2.286 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.538 -8.598 2.067 1.00 0.00 H new ATOM 0 HH21 ARG B 77 14.888 -10.448 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.118 -9.924 0.293 1.00 0.00 H new ATOM 1481 N VAL B 78 10.018 -6.882 -1.086 1.00 0.00 N ATOM 1482 CA VAL B 78 9.995 -6.776 -2.538 1.00 0.00 C ATOM 1483 C VAL B 78 10.539 -8.047 -3.183 1.00 0.00 C ATOM 1484 O VAL B 78 11.714 -8.379 -3.029 1.00 0.00 O ATOM 1485 CB VAL B 78 10.820 -5.571 -3.025 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.549 -5.299 -4.497 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.509 -4.343 -2.183 1.00 0.00 C ATOM 0 H VAL B 78 10.946 -6.801 -0.671 1.00 0.00 H new ATOM 0 HA VAL B 78 8.955 -6.635 -2.833 1.00 0.00 H new ATOM 0 HB VAL B 78 11.879 -5.805 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.141 -4.444 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.822 -6.175 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.490 -5.083 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.100 -3.499 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.449 -4.104 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.756 -4.545 -1.141 1.00 0.00 H new ATOM 1497 N ALA B 79 9.676 -8.755 -3.906 1.00 0.00 N ATOM 1498 CA ALA B 79 10.070 -9.994 -4.566 1.00 0.00 C ATOM 1499 C ALA B 79 9.697 -9.985 -6.046 1.00 0.00 C ATOM 1500 O ALA B 79 10.142 -10.841 -6.810 1.00 0.00 O ATOM 1501 CB ALA B 79 9.431 -11.185 -3.869 1.00 0.00 C ATOM 0 H ALA B 79 8.701 -8.492 -4.049 1.00 0.00 H new ATOM 0 HA ALA B 79 11.155 -10.078 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.732 -12.105 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.756 -11.215 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.346 -11.090 -3.907 1.00 0.00 H new ATOM 1507 N ALA B 80 8.876 -9.019 -6.441 1.00 0.00 N ATOM 1508 CA ALA B 80 8.449 -8.906 -7.832 1.00 0.00 C ATOM 1509 C ALA B 80 8.773 -7.535 -8.401 1.00 0.00 C ATOM 1510 O ALA B 80 8.910 -6.565 -7.661 1.00 0.00 O ATOM 1511 CB ALA B 80 6.958 -9.166 -7.950 1.00 0.00 C ATOM 0 H ALA B 80 8.494 -8.305 -5.821 1.00 0.00 H new ATOM 0 HA ALA B 80 8.995 -9.655 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA B 80 6.655 -9.078 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA B 80 6.734 -10.170 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.413 -8.436 -7.351 1.00 0.00 H new ATOM 1517 N SER B 81 8.890 -7.465 -9.721 1.00 0.00 N ATOM 1518 CA SER B 81 9.183 -6.228 -10.399 1.00 0.00 C ATOM 1519 C SER B 81 7.901 -5.550 -10.845 1.00 0.00 C ATOM 1520 O SER B 81 6.804 -6.067 -10.640 1.00 0.00 O ATOM 1521 CB SER B 81 10.068 -6.500 -11.608 1.00 0.00 C ATOM 1522 OG SER B 81 9.295 -6.895 -12.728 1.00 0.00 O ATOM 0 H SER B 81 8.783 -8.267 -10.342 1.00 0.00 H new ATOM 0 HA SER B 81 9.706 -5.567 -9.708 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.638 -5.604 -11.854 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.789 -7.281 -11.366 1.00 0.00 H new ATOM 0 HG SER B 81 9.887 -7.062 -13.491 1.00 0.00 H new ATOM 1528 N GLY B 82 8.052 -4.397 -11.469 1.00 0.00 N ATOM 1529 CA GLY B 82 6.907 -3.651 -11.946 1.00 0.00 C ATOM 1530 C GLY B 82 6.537 -2.512 -11.022 1.00 0.00 C ATOM 1531 O GLY B 82 7.065 -2.404 -9.914 1.00 0.00 O ATOM 0 H GLY B 82 8.954 -3.959 -11.656 1.00 0.00 H new ATOM 0 HA2 GLY B 82 7.122 -3.255 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.055 -4.324 -12.049 1.00 0.00 H new ATOM 1535 N ASP B 83 5.632 -1.660 -11.481 1.00 0.00 N ATOM 1536 CA ASP B 83 5.186 -0.523 -10.696 1.00 0.00 C ATOM 1537 C ASP B 83 3.953 -0.877 -9.876 1.00 0.00 C ATOM 1538 O ASP B 83 3.267 -1.860 -10.155 1.00 0.00 O ATOM 1539 CB ASP B 83 4.880 0.660 -11.613 1.00 0.00 C ATOM 1540 CG ASP B 83 4.133 0.243 -12.865 1.00 0.00 C ATOM 1541 OD1 ASP B 83 2.885 0.225 -12.833 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.798 -0.063 -13.877 1.00 0.00 O ATOM 0 H ASP B 83 5.192 -1.737 -12.398 1.00 0.00 H new ATOM 0 HA ASP B 83 5.987 -0.248 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.288 1.395 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.813 1.148 -11.895 1.00 0.00 H new ATOM 1547 N ASP B 84 3.683 -0.063 -8.867 1.00 0.00 N ATOM 1548 CA ASP B 84 2.536 -0.271 -7.995 1.00 0.00 C ATOM 1549 C ASP B 84 2.288 0.973 -7.153 1.00 0.00 C ATOM 1550 O ASP B 84 2.970 1.985 -7.317 1.00 0.00 O ATOM 1551 CB ASP B 84 2.765 -1.479 -7.087 1.00 0.00 C ATOM 1552 CG ASP B 84 3.886 -1.249 -6.095 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.594 -1.113 -4.889 1.00 0.00 O ATOM 1554 OD2 ASP B 84 5.058 -1.200 -6.525 1.00 0.00 O ATOM 0 H ASP B 84 4.247 0.753 -8.630 1.00 0.00 H new ATOM 0 HA ASP B 84 1.660 -0.463 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.845 -1.704 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.997 -2.351 -7.698 1.00 0.00 H new ATOM 1559 N ARG B 85 1.314 0.901 -6.255 1.00 0.00 N ATOM 1560 CA ARG B 85 0.995 2.024 -5.401 1.00 0.00 C ATOM 1561 C ARG B 85 0.268 1.568 -4.141 1.00 0.00 C ATOM 1562 O ARG B 85 -0.836 1.026 -4.212 1.00 0.00 O ATOM 1563 CB ARG B 85 0.132 3.021 -6.165 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.086 4.312 -5.413 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.009 5.247 -6.171 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.408 5.718 -7.417 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.995 6.586 -8.236 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.193 7.075 -7.943 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.384 6.967 -9.348 1.00 0.00 N ATOM 0 H ARG B 85 0.735 0.075 -6.104 1.00 0.00 H new ATOM 0 HA ARG B 85 1.928 2.502 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.603 3.240 -7.123 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.834 2.565 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.510 4.096 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.873 4.803 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.945 4.733 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.256 6.102 -5.542 1.00 0.00 H new ATOM 0 HE ARG B 85 0.513 5.361 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.667 6.785 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.640 7.741 -8.573 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.538 6.595 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.835 7.633 -9.975 1.00 0.00 H new ATOM 1583 N LEU B 86 0.890 1.791 -2.988 1.00 0.00 N ATOM 1584 CA LEU B 86 0.296 1.407 -1.715 1.00 0.00 C ATOM 1585 C LEU B 86 -0.846 2.351 -1.357 1.00 0.00 C ATOM 1586 O LEU B 86 -0.701 3.570 -1.440 1.00 0.00 O ATOM 1587 CB LEU B 86 1.354 1.418 -0.610 1.00 0.00 C ATOM 1588 CG LEU B 86 1.020 0.565 0.616 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.063 -0.912 0.266 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.977 0.871 1.758 1.00 0.00 C ATOM 0 H LEU B 86 1.805 2.236 -2.910 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.102 0.396 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.298 1.071 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.508 2.447 -0.286 1.00 0.00 H new ATOM 0 HG LEU B 86 0.009 0.812 0.940 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.823 -1.503 1.150 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.336 -1.121 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.061 -1.174 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.723 0.255 2.620 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.998 0.654 1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.896 1.924 2.028 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.982 1.787 -0.957 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.145 2.591 -0.598 1.00 0.00 C ATOM 1604 C GLU B 87 -3.675 2.223 0.783 1.00 0.00 C ATOM 1605 O GLU B 87 -3.937 1.054 1.070 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.252 2.420 -1.641 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.806 2.740 -3.058 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.972 3.000 -3.992 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.469 2.032 -4.604 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.385 4.173 -4.113 1.00 0.00 O ATOM 0 H GLU B 87 -2.122 0.780 -0.874 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.829 3.634 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.617 1.393 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.090 3.065 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.156 3.615 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.214 1.911 -3.444 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.829 3.232 1.634 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.335 3.031 2.985 1.00 0.00 C ATOM 1619 C LEU B 88 -5.362 4.103 3.334 1.00 0.00 C ATOM 1620 O LEU B 88 -5.363 5.186 2.747 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.191 3.061 4.004 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.111 1.996 3.805 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.075 2.463 2.794 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.448 1.658 5.132 1.00 0.00 C ATOM 0 H LEU B 88 -3.609 4.202 1.409 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.813 2.052 3.023 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.720 4.043 3.968 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.613 2.945 5.003 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.585 1.095 3.416 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.316 1.691 2.667 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.561 2.655 1.837 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.604 3.379 3.152 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.682 0.899 4.973 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.989 2.555 5.548 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.197 1.278 5.827 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.237 3.801 4.288 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.263 4.749 4.706 1.00 0.00 C ATOM 1638 C VAL B 89 -7.479 4.699 6.214 1.00 0.00 C ATOM 1639 O VAL B 89 -7.165 3.700 6.863 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.606 4.485 3.996 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.455 4.630 2.490 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.142 3.109 4.357 1.00 0.00 C ATOM 0 H VAL B 89 -6.256 2.910 4.785 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.905 5.739 4.425 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.326 5.229 4.337 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.414 4.440 2.008 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.124 5.641 2.253 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.718 3.913 2.128 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.090 2.942 3.846 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.425 2.347 4.050 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.295 3.049 5.435 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.020 5.782 6.763 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.274 5.871 8.196 1.00 0.00 C ATOM 1654 C TYR B 90 -9.762 5.706 8.496 1.00 0.00 C ATOM 1655 O TYR B 90 -10.523 6.673 8.461 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.771 7.215 8.731 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.955 7.398 10.220 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.687 8.468 10.722 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.394 6.508 11.126 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.855 8.643 12.081 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.557 6.675 12.487 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.289 7.744 12.959 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.455 7.914 14.314 1.00 0.00 O ATOM 0 H TYR B 90 -8.291 6.612 6.236 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.736 5.064 8.694 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.712 7.315 8.492 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.292 8.018 8.211 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.132 9.175 10.037 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.820 5.670 10.760 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.427 9.480 12.454 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.114 5.973 13.178 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.994 7.194 14.793 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.167 4.473 8.779 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.562 4.176 9.084 1.00 0.00 C ATOM 1675 C ARG B 91 -11.699 2.814 9.751 1.00 0.00 C ATOM 1676 O ARG B 91 -10.702 2.152 10.049 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.410 4.222 7.809 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.923 3.278 6.720 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.858 3.286 5.522 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.347 2.472 4.423 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.005 2.272 3.286 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.196 2.825 3.098 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.472 1.520 2.333 1.00 0.00 N ATOM 0 H ARG B 91 -9.549 3.662 8.804 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.922 4.936 9.778 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.441 3.973 8.059 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.413 5.241 7.421 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.922 3.570 6.404 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.849 2.266 7.119 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.837 2.914 5.824 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.999 4.311 5.179 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.433 2.032 4.534 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.609 3.406 3.827 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.698 2.669 2.224 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.556 1.094 2.472 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.978 1.367 1.461 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.940 2.396 9.983 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.211 1.112 10.617 1.00 0.00 C ATOM 1699 C ARG B 92 -13.127 -0.023 9.590 1.00 0.00 C ATOM 1700 O ARG B 92 -13.838 -0.010 8.585 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.591 1.140 11.276 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.854 2.419 12.059 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.218 2.399 12.730 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.668 3.741 13.089 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.804 3.989 13.735 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.602 2.991 14.088 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.142 5.238 14.027 1.00 0.00 N ATOM 0 H ARG B 92 -13.775 2.930 9.740 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.458 0.931 11.384 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.356 1.028 10.508 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.684 0.285 11.946 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.079 2.549 12.814 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.791 3.276 11.388 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.945 1.939 12.061 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.173 1.779 13.626 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.079 4.532 12.830 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.346 2.029 13.864 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.472 3.185 14.583 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.531 6.008 13.756 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.013 5.428 14.522 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.256 -1.024 9.833 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.064 -2.158 8.915 1.00 0.00 C ATOM 1723 C PRO B 93 -13.288 -3.063 8.797 1.00 0.00 C ATOM 1724 O PRO B 93 -13.358 -3.899 7.896 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.894 -2.937 9.534 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.268 -2.001 10.511 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.380 -1.132 11.010 1.00 0.00 C ATOM 0 HA PRO B 93 -11.882 -1.806 7.900 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.243 -3.844 10.027 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.179 -3.244 8.771 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -9.799 -2.546 11.330 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.488 -1.405 10.037 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -11.895 -1.581 11.859 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.017 -0.157 11.336 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.252 -2.905 9.700 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.451 -3.734 9.675 1.00 0.00 C ATOM 1737 C TRP B 94 -16.618 -2.993 9.032 1.00 0.00 C ATOM 1738 O TRP B 94 -17.781 -3.337 9.249 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.820 -4.183 11.089 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.247 -3.066 11.990 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.509 -2.564 12.137 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.412 -2.318 12.877 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.506 -1.547 13.059 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.231 -1.376 13.528 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -14.050 -2.353 13.183 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -15.730 -0.480 14.466 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -13.553 -1.462 14.114 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -14.393 -0.536 14.747 1.00 0.00 C ATOM 0 H TRP B 94 -14.226 -2.216 10.452 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.237 -4.616 9.072 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.625 -4.915 11.028 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.963 -4.688 11.534 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.381 -2.916 11.606 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.321 -1.006 13.348 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.397 -3.064 12.700 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.374 0.235 14.955 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -12.501 -1.479 14.358 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -13.976 0.147 15.472 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.300 -1.984 8.230 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.321 -1.189 7.559 1.00 0.00 C ATOM 1761 C GLU B 95 -17.134 -1.223 6.046 1.00 0.00 C ATOM 1762 O GLU B 95 -16.180 -0.655 5.517 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.277 0.252 8.063 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.600 0.380 9.539 1.00 0.00 C ATOM 1765 CD GLU B 95 -19.079 0.220 9.829 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.802 1.237 9.813 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.514 -0.926 10.074 1.00 0.00 O ATOM 0 H GLU B 95 -15.342 -1.697 8.028 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.296 -1.619 7.790 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.285 0.664 7.878 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.984 0.852 7.490 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.041 -0.372 10.096 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.267 1.354 9.897 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.050 -1.897 5.358 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.988 -2.008 3.905 1.00 0.00 C ATOM 1776 C LYS B 96 -18.182 -0.646 3.247 1.00 0.00 C ATOM 1777 O LYS B 96 -19.299 -0.139 3.163 1.00 0.00 O ATOM 1778 CB LYS B 96 -19.050 -2.988 3.401 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.849 -4.413 3.892 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.567 -5.020 3.343 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.372 -6.447 3.830 1.00 0.00 C ATOM 1782 NZ LYS B 96 -16.119 -7.050 3.297 1.00 0.00 N ATOM 0 H LYS B 96 -18.844 -2.375 5.784 1.00 0.00 H new ATOM 0 HA LYS B 96 -17.001 -2.384 3.636 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -20.033 -2.639 3.718 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.047 -2.985 2.311 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.819 -4.422 4.982 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.699 -5.025 3.592 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.595 -5.007 2.253 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.716 -4.411 3.647 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.345 -6.458 4.920 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -18.225 -7.054 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.023 -8.023 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -16.155 -7.063 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.303 -6.486 3.608 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.080 -0.062 2.784 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.118 1.241 2.127 1.00 0.00 C ATOM 1798 C ASP B 97 -17.776 2.288 3.021 1.00 0.00 C ATOM 1799 O ASP B 97 -18.954 2.608 2.856 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.863 1.148 0.793 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.210 0.173 -0.166 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.586 -1.018 -0.150 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -16.325 0.600 -0.936 1.00 0.00 O ATOM 0 H ASP B 97 -16.148 -0.471 2.852 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.090 1.549 1.937 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -18.892 0.840 0.975 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -17.903 2.135 0.332 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.011 2.810 3.975 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.515 3.823 4.894 1.00 0.00 C ATOM 1810 C ALA B 98 -16.687 5.101 4.797 1.00 0.00 C ATOM 1811 O ALA B 98 -15.460 5.049 4.733 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.511 3.296 6.319 1.00 0.00 C ATOM 0 H ALA B 98 -16.038 2.547 4.131 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.542 4.058 4.613 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.890 4.065 6.992 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.147 2.413 6.382 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.493 3.032 6.606 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.368 6.243 4.785 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.703 7.540 4.694 1.00 0.00 C ATOM 1820 C GLU B 99 -15.565 7.650 5.708 1.00 0.00 C ATOM 1821 O GLU B 99 -15.807 7.800 6.905 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.711 8.667 4.923 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.849 8.682 3.915 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.366 8.880 2.492 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -18.074 7.870 1.818 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.280 10.044 2.052 1.00 0.00 O ATOM 0 H GLU B 99 -18.385 6.297 4.837 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.280 7.630 3.693 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.127 8.572 5.926 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.189 9.623 4.883 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -19.400 7.744 3.980 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.546 9.479 4.172 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.302 7.571 5.243 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.131 7.661 6.107 1.00 0.00 C ATOM 1835 C PRO B 100 -12.730 9.106 6.386 1.00 0.00 C ATOM 1836 O PRO B 100 -12.839 9.969 5.515 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.029 6.950 5.304 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.621 6.618 3.965 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.907 7.385 3.845 1.00 0.00 C ATOM 0 HA PRO B 100 -13.316 7.217 7.085 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.155 7.592 5.193 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.698 6.047 5.816 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.935 6.890 3.163 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.803 5.547 3.880 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.764 8.337 3.334 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.658 6.831 3.282 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.272 9.363 7.607 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.851 10.704 7.995 1.00 0.00 C ATOM 1849 C ALA B 101 -10.602 11.119 7.233 1.00 0.00 C ATOM 1850 O ALA B 101 -10.612 12.094 6.481 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.603 10.767 9.496 1.00 0.00 C ATOM 0 H ALA B 101 -12.183 8.662 8.343 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.651 11.400 7.744 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.289 11.774 9.771 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.521 10.515 10.027 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.821 10.057 9.766 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.527 10.370 7.436 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.262 10.643 6.770 1.00 0.00 C ATOM 1859 C GLU B 102 -8.076 9.756 5.550 1.00 0.00 C ATOM 1860 O GLU B 102 -9.028 9.158 5.046 1.00 0.00 O ATOM 1861 CB GLU B 102 -7.094 10.427 7.730 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.602 11.699 8.391 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.397 12.835 7.409 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.335 13.641 7.229 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.300 12.919 6.818 1.00 0.00 O ATOM 0 H GLU B 102 -9.507 9.564 8.061 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.283 11.684 6.447 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.397 9.721 8.503 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.268 9.969 7.186 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.320 12.008 9.151 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.662 11.495 8.904 1.00 0.00 H new ATOM 1872 N SER B 103 -6.835 9.679 5.086 1.00 0.00 N ATOM 1873 CA SER B 103 -6.499 8.868 3.920 1.00 0.00 C ATOM 1874 C SER B 103 -4.992 8.851 3.680 1.00 0.00 C ATOM 1875 O SER B 103 -4.272 9.742 4.133 1.00 0.00 O ATOM 1876 CB SER B 103 -7.216 9.393 2.677 1.00 0.00 C ATOM 1877 OG SER B 103 -6.843 10.730 2.397 1.00 0.00 O ATOM 0 H SER B 103 -6.042 10.169 5.500 1.00 0.00 H new ATOM 0 HA SER B 103 -6.830 7.848 4.117 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.978 8.760 1.822 1.00 0.00 H new ATOM 0 HB3 SER B 103 -8.294 9.337 2.825 1.00 0.00 H new ATOM 0 HG SER B 103 -7.315 11.040 1.596 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.525 7.832 2.967 1.00 0.00 N ATOM 1884 CA PHE B 104 -3.103 7.696 2.664 1.00 0.00 C ATOM 1885 C PHE B 104 -2.899 7.027 1.306 1.00 0.00 C ATOM 1886 O PHE B 104 -3.675 6.156 0.912 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.409 6.885 3.760 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.911 6.910 3.675 1.00 0.00 C ATOM 1889 CD1 PHE B 104 -0.227 5.934 2.970 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.186 7.907 4.308 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.152 5.952 2.895 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.192 7.931 4.236 1.00 0.00 C ATOM 1893 CZ PHE B 104 1.864 6.952 3.529 1.00 0.00 C ATOM 0 H PHE B 104 -5.110 7.087 2.587 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.663 8.692 2.624 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.715 7.270 4.733 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.750 5.851 3.705 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.778 5.150 2.473 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.705 8.674 4.864 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.673 5.185 2.341 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.745 8.715 4.732 1.00 0.00 H new ATOM 0 HZ PHE B 104 2.942 6.969 3.472 1.00 0.00 H new ATOM 1903 N SER B 105 -1.853 7.439 0.596 1.00 0.00 N ATOM 1904 CA SER B 105 -1.550 6.877 -0.717 1.00 0.00 C ATOM 1905 C SER B 105 -0.133 7.239 -1.152 1.00 0.00 C ATOM 1906 O SER B 105 0.272 8.399 -1.077 1.00 0.00 O ATOM 1907 CB SER B 105 -2.558 7.377 -1.752 1.00 0.00 C ATOM 1908 OG SER B 105 -2.264 6.864 -3.041 1.00 0.00 O ATOM 0 H SER B 105 -1.201 8.159 0.907 1.00 0.00 H new ATOM 0 HA SER B 105 -1.621 5.792 -0.645 1.00 0.00 H new ATOM 0 HB2 SER B 105 -3.564 7.077 -1.459 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.546 8.467 -1.779 1.00 0.00 H new ATOM 0 HG SER B 105 -2.924 7.197 -3.684 1.00 0.00 H new ATOM 1914 N CYS B 106 0.614 6.240 -1.612 1.00 0.00 N ATOM 1915 CA CYS B 106 1.986 6.450 -2.059 1.00 0.00 C ATOM 1916 C CYS B 106 2.361 5.464 -3.161 1.00 0.00 C ATOM 1917 O CYS B 106 1.897 4.325 -3.171 1.00 0.00 O ATOM 1918 CB CYS B 106 2.952 6.316 -0.883 1.00 0.00 C ATOM 1919 SG CYS B 106 2.803 7.653 0.345 1.00 0.00 S ATOM 0 H CYS B 106 0.291 5.275 -1.685 1.00 0.00 H new ATOM 0 HA CYS B 106 2.058 7.459 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.778 5.360 -0.389 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.973 6.297 -1.264 1.00 0.00 H new ATOM 1924 N ALA B 107 3.210 5.910 -4.082 1.00 0.00 N ATOM 1925 CA ALA B 107 3.644 5.074 -5.196 1.00 0.00 C ATOM 1926 C ALA B 107 4.851 4.221 -4.825 1.00 0.00 C ATOM 1927 O ALA B 107 5.599 4.545 -3.902 1.00 0.00 O ATOM 1928 CB ALA B 107 3.962 5.939 -6.408 1.00 0.00 C ATOM 0 H ALA B 107 3.612 6.848 -4.079 1.00 0.00 H new ATOM 0 HA ALA B 107 2.825 4.397 -5.442 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.285 5.304 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.071 6.493 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.758 6.640 -6.156 1.00 0.00 H new ATOM 1934 N ILE B 108 5.024 3.123 -5.554 1.00 0.00 N ATOM 1935 CA ILE B 108 6.137 2.201 -5.331 1.00 0.00 C ATOM 1936 C ILE B 108 6.610 1.606 -6.656 1.00 0.00 C ATOM 1937 O ILE B 108 5.794 1.300 -7.527 1.00 0.00 O ATOM 1938 CB ILE B 108 5.733 1.059 -4.378 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.403 1.611 -2.989 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.841 0.018 -4.295 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.830 0.577 -2.041 1.00 0.00 C ATOM 0 H ILE B 108 4.401 2.846 -6.313 1.00 0.00 H new ATOM 0 HA ILE B 108 6.948 2.769 -4.875 1.00 0.00 H new ATOM 0 HB ILE B 108 4.840 0.577 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.308 2.030 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.691 2.429 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.539 -0.781 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.026 -0.396 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.752 0.485 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.622 1.042 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.906 0.174 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.549 -0.231 -1.906 1.00 0.00 H new ATOM 1953 N GLN B 109 7.924 1.442 -6.814 1.00 0.00 N ATOM 1954 CA GLN B 109 8.464 0.887 -8.060 1.00 0.00 C ATOM 1955 C GLN B 109 9.618 -0.096 -7.827 1.00 0.00 C ATOM 1956 O GLN B 109 10.493 0.131 -6.986 1.00 0.00 O ATOM 1957 CB GLN B 109 8.933 2.021 -8.974 1.00 0.00 C ATOM 1958 CG GLN B 109 9.409 1.546 -10.337 1.00 0.00 C ATOM 1959 CD GLN B 109 9.866 2.687 -11.226 1.00 0.00 C ATOM 1960 OE1 GLN B 109 10.356 3.708 -10.742 1.00 0.00 O ATOM 1961 NE2 GLN B 109 9.709 2.520 -12.534 1.00 0.00 N ATOM 0 H GLN B 109 8.624 1.680 -6.111 1.00 0.00 H new ATOM 0 HA GLN B 109 7.656 0.328 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.115 2.729 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.743 2.561 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN B 109 10.230 0.841 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.602 1.006 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN B 109 9.298 1.658 -12.892 1.00 0.00 H new ATOM 0 HE22 GLN B 109 9.999 3.254 -13.180 1.00 0.00 H new ATOM 1970 N VAL B 110 9.612 -1.191 -8.595 1.00 0.00 N ATOM 1971 CA VAL B 110 10.659 -2.204 -8.500 1.00 0.00 C ATOM 1972 C VAL B 110 11.501 -2.224 -9.771 1.00 0.00 C ATOM 1973 O VAL B 110 11.071 -1.743 -10.817 1.00 0.00 O ATOM 1974 CB VAL B 110 10.088 -3.620 -8.270 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.191 -4.566 -7.826 1.00 0.00 C ATOM 1976 CG2 VAL B 110 8.968 -3.592 -7.245 1.00 0.00 C ATOM 0 H VAL B 110 8.892 -1.395 -9.288 1.00 0.00 H new ATOM 0 HA VAL B 110 11.272 -1.933 -7.640 1.00 0.00 H new ATOM 0 HB VAL B 110 9.676 -3.980 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.775 -5.561 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.961 -4.613 -8.596 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.629 -4.203 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.582 -4.601 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.351 -3.210 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.166 -2.944 -7.600 1.00 0.00 H new ATOM 1986 N ARG B 111 12.698 -2.793 -9.668 1.00 0.00 N ATOM 1987 CA ARG B 111 13.615 -2.888 -10.796 1.00 0.00 C ATOM 1988 C ARG B 111 13.697 -1.573 -11.568 1.00 0.00 C ATOM 1989 O ARG B 111 14.484 -0.695 -11.154 1.00 0.00 O ATOM 1990 CB ARG B 111 13.183 -4.018 -11.724 1.00 0.00 C ATOM 1991 CG ARG B 111 13.058 -5.354 -11.030 1.00 0.00 C ATOM 1992 CD ARG B 111 14.363 -5.745 -10.383 1.00 0.00 C ATOM 1993 NE ARG B 111 14.310 -7.073 -9.780 1.00 0.00 N ATOM 1994 CZ ARG B 111 15.388 -7.767 -9.428 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.599 -7.260 -9.618 1.00 0.00 N ATOM 1996 NH2 ARG B 111 15.256 -8.970 -8.887 1.00 0.00 N ATOM 1997 OXT ARG B 111 12.978 -1.432 -12.579 1.00 0.00 O ATOM 0 H ARG B 111 13.057 -3.199 -8.804 1.00 0.00 H new ATOM 0 HA ARG B 111 14.609 -3.102 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.225 -3.761 -12.175 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.904 -4.106 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.273 -5.305 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.761 -6.117 -11.750 1.00 0.00 H new ATOM 0 HD2 ARG B 111 15.157 -5.719 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.620 -5.012 -9.618 1.00 0.00 H new ATOM 0 HE ARG B 111 13.394 -7.492 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.705 -6.335 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.424 -7.795 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG B 111 14.327 -9.364 -8.740 1.00 0.00 H new ATOM 0 HH22 ARG B 111 16.084 -9.502 -8.617 1.00 0.00 H new