USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 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 -11:sc= 0.84 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.356 USER MOD Single : B 20 GLN : amide:sc= -0.699 K(o=-0.7,f=-1.9) USER MOD Single : B 22 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.6!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 37:sc= 0.183 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -72:sc= 0.585 USER MOD Single : B 42 ASN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 159:sc= -0.122 (180deg=-0.55) USER MOD Single : B 72 SER OG : rot 140:sc= -0.0709 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 116:sc= 0.111 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -167:sc= -0.0161 (180deg=-0.212) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 31:sc= 0.503 USER MOD Single : B 109 GLN : amide:sc= -0.577 K(o=-0.58,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 12.754 1.079 4.869 1.00 0.00 N ATOM 382 CA VAL B 5 12.467 2.502 4.752 1.00 0.00 C ATOM 383 C VAL B 5 11.135 2.836 5.419 1.00 0.00 C ATOM 384 O VAL B 5 10.070 2.574 4.867 1.00 0.00 O ATOM 385 CB VAL B 5 12.445 2.962 3.281 1.00 0.00 C ATOM 386 CG1 VAL B 5 11.676 1.974 2.420 1.00 0.00 C ATOM 387 CG2 VAL B 5 11.857 4.359 3.167 1.00 0.00 C ATOM 0 HA VAL B 5 13.269 3.037 5.260 1.00 0.00 H new ATOM 0 HB VAL B 5 13.471 2.997 2.916 1.00 0.00 H new ATOM 0 HG11 VAL B 5 11.673 2.318 1.386 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.153 0.995 2.475 1.00 0.00 H new ATOM 0 HG13 VAL B 5 10.650 1.899 2.780 1.00 0.00 H new ATOM 0 HG21 VAL B 5 11.850 4.667 2.121 1.00 0.00 H new ATOM 0 HG22 VAL B 5 10.837 4.357 3.552 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.462 5.057 3.746 1.00 0.00 H new ATOM 397 N THR B 6 11.211 3.417 6.611 1.00 0.00 N ATOM 398 CA THR B 6 10.020 3.775 7.368 1.00 0.00 C ATOM 399 C THR B 6 9.353 5.022 6.800 1.00 0.00 C ATOM 400 O THR B 6 9.965 5.778 6.045 1.00 0.00 O ATOM 401 CB THR B 6 10.362 4.021 8.848 1.00 0.00 C ATOM 402 OG1 THR B 6 11.389 3.114 9.268 1.00 0.00 O ATOM 403 CG2 THR B 6 9.137 3.835 9.724 1.00 0.00 C ATOM 0 H THR B 6 12.089 3.650 7.074 1.00 0.00 H new ATOM 0 HA THR B 6 9.329 2.936 7.289 1.00 0.00 H new ATOM 0 HB THR B 6 10.713 5.048 8.951 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.604 3.277 10.210 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.404 4.014 10.766 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.363 4.540 9.421 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.763 2.817 9.615 1.00 0.00 H new ATOM 411 N LEU B 7 8.093 5.231 7.171 1.00 0.00 N ATOM 412 CA LEU B 7 7.336 6.385 6.703 1.00 0.00 C ATOM 413 C LEU B 7 6.477 6.965 7.819 1.00 0.00 C ATOM 414 O LEU B 7 6.185 6.293 8.807 1.00 0.00 O ATOM 415 CB LEU B 7 6.451 5.998 5.517 1.00 0.00 C ATOM 416 CG LEU B 7 7.200 5.698 4.218 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.238 5.185 3.157 1.00 0.00 C ATOM 418 CD2 LEU B 7 7.929 6.938 3.725 1.00 0.00 C ATOM 0 H LEU B 7 7.575 4.614 7.796 1.00 0.00 H new ATOM 0 HA LEU B 7 8.049 7.145 6.384 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.866 5.120 5.792 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.744 6.807 5.332 1.00 0.00 H new ATOM 0 HG LEU B 7 7.939 4.922 4.416 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.787 4.976 2.239 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.761 4.271 3.510 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.476 5.940 2.961 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.457 6.706 2.800 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.208 7.735 3.542 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.645 7.263 4.479 1.00 0.00 H new ATOM 430 N ASP B 8 6.074 8.220 7.649 1.00 0.00 N ATOM 431 CA ASP B 8 5.243 8.899 8.632 1.00 0.00 C ATOM 432 C ASP B 8 4.328 9.912 7.954 1.00 0.00 C ATOM 433 O ASP B 8 3.622 10.669 8.619 1.00 0.00 O ATOM 434 CB ASP B 8 6.116 9.597 9.676 1.00 0.00 C ATOM 435 CG ASP B 8 7.030 10.637 9.061 1.00 0.00 C ATOM 436 OD1 ASP B 8 6.629 11.816 8.995 1.00 0.00 O ATOM 437 OD2 ASP B 8 8.149 10.272 8.645 1.00 0.00 O ATOM 0 H ASP B 8 6.312 8.788 6.836 1.00 0.00 H new ATOM 0 HA ASP B 8 4.625 8.152 9.131 1.00 0.00 H new ATOM 0 HB2 ASP B 8 5.478 10.073 10.420 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.717 8.853 10.200 1.00 0.00 H new ATOM 442 N ASP B 9 4.346 9.917 6.625 1.00 0.00 N ATOM 443 CA ASP B 9 3.518 10.835 5.851 1.00 0.00 C ATOM 444 C ASP B 9 3.441 10.397 4.392 1.00 0.00 C ATOM 445 O ASP B 9 4.397 9.844 3.847 1.00 0.00 O ATOM 446 CB ASP B 9 4.071 12.257 5.944 1.00 0.00 C ATOM 447 CG ASP B 9 5.508 12.351 5.474 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.412 11.955 6.240 1.00 0.00 O ATOM 449 OD2 ASP B 9 5.733 12.824 4.340 1.00 0.00 O ATOM 0 H ASP B 9 4.925 9.295 6.061 1.00 0.00 H new ATOM 0 HA ASP B 9 2.511 10.819 6.269 1.00 0.00 H new ATOM 0 HB2 ASP B 9 3.452 12.924 5.345 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.006 12.602 6.976 1.00 0.00 H new ATOM 454 N ALA B 10 2.296 10.647 3.764 1.00 0.00 N ATOM 455 CA ALA B 10 2.090 10.273 2.369 1.00 0.00 C ATOM 456 C ALA B 10 2.903 11.159 1.429 1.00 0.00 C ATOM 457 O ALA B 10 3.144 10.800 0.278 1.00 0.00 O ATOM 458 CB ALA B 10 0.613 10.348 2.020 1.00 0.00 C ATOM 0 H ALA B 10 1.497 11.107 4.199 1.00 0.00 H new ATOM 0 HA ALA B 10 2.435 9.247 2.241 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.471 10.067 0.977 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.053 9.665 2.659 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.254 11.366 2.174 1.00 0.00 H new ATOM 464 N ASP B 11 3.323 12.316 1.929 1.00 0.00 N ATOM 465 CA ASP B 11 4.108 13.252 1.131 1.00 0.00 C ATOM 466 C ASP B 11 5.452 12.646 0.741 1.00 0.00 C ATOM 467 O ASP B 11 5.899 12.783 -0.398 1.00 0.00 O ATOM 468 CB ASP B 11 4.329 14.548 1.908 1.00 0.00 C ATOM 469 CG ASP B 11 5.114 15.574 1.112 1.00 0.00 C ATOM 470 OD1 ASP B 11 4.483 16.377 0.396 1.00 0.00 O ATOM 471 OD2 ASP B 11 6.359 15.570 1.204 1.00 0.00 O ATOM 0 H ASP B 11 3.134 12.628 2.881 1.00 0.00 H new ATOM 0 HA ASP B 11 3.552 13.469 0.219 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.364 14.970 2.187 1.00 0.00 H new ATOM 0 HB3 ASP B 11 4.860 14.327 2.834 1.00 0.00 H new ATOM 476 N ASP B 12 6.090 11.976 1.694 1.00 0.00 N ATOM 477 CA ASP B 12 7.384 11.349 1.453 1.00 0.00 C ATOM 478 C ASP B 12 7.245 9.838 1.335 1.00 0.00 C ATOM 479 O ASP B 12 8.179 9.097 1.641 1.00 0.00 O ATOM 480 CB ASP B 12 8.356 11.696 2.584 1.00 0.00 C ATOM 481 CG ASP B 12 8.684 13.176 2.631 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.003 13.911 3.376 1.00 0.00 O ATOM 483 OD2 ASP B 12 9.622 13.599 1.923 1.00 0.00 O ATOM 0 H ASP B 12 5.732 11.853 2.641 1.00 0.00 H new ATOM 0 HA ASP B 12 7.776 11.732 0.511 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.923 11.392 3.537 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.277 11.127 2.456 1.00 0.00 H new ATOM 488 N CYS B 13 6.076 9.389 0.885 1.00 0.00 N ATOM 489 CA CYS B 13 5.806 7.964 0.721 1.00 0.00 C ATOM 490 C CYS B 13 6.960 7.261 0.011 1.00 0.00 C ATOM 491 O CYS B 13 7.843 6.689 0.652 1.00 0.00 O ATOM 492 CB CYS B 13 4.516 7.756 -0.071 1.00 0.00 C ATOM 493 SG CYS B 13 3.110 7.169 0.927 1.00 0.00 S ATOM 0 H CYS B 13 5.297 9.995 0.626 1.00 0.00 H new ATOM 0 HA CYS B 13 5.696 7.531 1.715 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.240 8.697 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.705 7.038 -0.869 1.00 0.00 H new ATOM 498 N SER B 14 6.945 7.308 -1.314 1.00 0.00 N ATOM 499 CA SER B 14 7.986 6.685 -2.118 1.00 0.00 C ATOM 500 C SER B 14 8.025 7.301 -3.513 1.00 0.00 C ATOM 501 O SER B 14 6.989 7.685 -4.056 1.00 0.00 O ATOM 502 CB SER B 14 7.753 5.177 -2.212 1.00 0.00 C ATOM 503 OG SER B 14 7.848 4.562 -0.939 1.00 0.00 O ATOM 0 H SER B 14 6.218 7.774 -1.857 1.00 0.00 H new ATOM 0 HA SER B 14 8.947 6.861 -1.635 1.00 0.00 H new ATOM 0 HB2 SER B 14 6.769 4.985 -2.639 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.485 4.735 -2.888 1.00 0.00 H new ATOM 0 HG SER B 14 8.219 5.200 -0.294 1.00 0.00 H new ATOM 509 N PRO B 15 9.220 7.406 -4.115 1.00 0.00 N ATOM 510 CA PRO B 15 9.384 7.992 -5.447 1.00 0.00 C ATOM 511 C PRO B 15 9.020 7.035 -6.573 1.00 0.00 C ATOM 512 O PRO B 15 9.618 7.079 -7.650 1.00 0.00 O ATOM 513 CB PRO B 15 10.869 8.317 -5.499 1.00 0.00 C ATOM 514 CG PRO B 15 11.510 7.297 -4.623 1.00 0.00 C ATOM 515 CD PRO B 15 10.511 6.968 -3.545 1.00 0.00 C ATOM 0 HA PRO B 15 8.726 8.850 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO B 15 11.251 8.260 -6.518 1.00 0.00 H new ATOM 0 HB3 PRO B 15 11.066 9.327 -5.140 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.772 6.406 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO B 15 12.434 7.682 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO B 15 10.506 5.902 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO B 15 10.737 7.493 -2.617 1.00 0.00 H new ATOM 523 N LEU B 16 8.042 6.176 -6.328 1.00 0.00 N ATOM 524 CA LEU B 16 7.603 5.219 -7.331 1.00 0.00 C ATOM 525 C LEU B 16 8.747 4.295 -7.729 1.00 0.00 C ATOM 526 O LEU B 16 9.167 3.446 -6.941 1.00 0.00 O ATOM 527 CB LEU B 16 7.041 5.972 -8.539 1.00 0.00 C ATOM 528 CG LEU B 16 6.449 5.099 -9.648 1.00 0.00 C ATOM 529 CD1 LEU B 16 5.380 4.186 -9.081 1.00 0.00 C ATOM 530 CD2 LEU B 16 5.883 5.964 -10.761 1.00 0.00 C ATOM 0 H LEU B 16 7.538 6.122 -5.443 1.00 0.00 H new ATOM 0 HA LEU B 16 6.813 4.593 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU B 16 6.269 6.657 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU B 16 7.837 6.581 -8.967 1.00 0.00 H new ATOM 0 HG LEU B 16 7.243 4.482 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU B 16 4.967 3.570 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU B 16 5.818 3.544 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU B 16 4.586 4.787 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.466 5.327 -11.541 1.00 0.00 H new ATOM 0 HD22 LEU B 16 5.099 6.606 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU B 16 6.677 6.581 -11.182 1.00 0.00 H new ATOM 542 N LYS B 17 9.225 4.456 -8.950 1.00 0.00 N ATOM 543 CA LYS B 17 10.331 3.661 -9.478 1.00 0.00 C ATOM 544 C LYS B 17 11.302 3.246 -8.376 1.00 0.00 C ATOM 545 O LYS B 17 12.114 4.047 -7.912 1.00 0.00 O ATOM 546 CB LYS B 17 11.072 4.451 -10.555 1.00 0.00 C ATOM 547 CG LYS B 17 10.220 4.740 -11.779 1.00 0.00 C ATOM 548 CD LYS B 17 10.757 5.921 -12.563 1.00 0.00 C ATOM 549 CE LYS B 17 9.944 6.172 -13.822 1.00 0.00 C ATOM 550 NZ LYS B 17 10.463 7.334 -14.595 1.00 0.00 N ATOM 0 H LYS B 17 8.859 5.143 -9.609 1.00 0.00 H new ATOM 0 HA LYS B 17 9.912 2.753 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS B 17 11.419 5.393 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS B 17 11.958 3.894 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS B 17 10.192 3.859 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS B 17 9.195 4.943 -11.470 1.00 0.00 H new ATOM 0 HD2 LYS B 17 10.742 6.812 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS B 17 11.797 5.738 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS B 17 9.962 5.281 -14.450 1.00 0.00 H new ATOM 0 HE3 LYS B 17 8.903 6.351 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 9.882 7.472 -15.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 10.422 8.190 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 11.448 7.153 -14.874 1.00 0.00 H new ATOM 564 N LEU B 18 11.205 1.986 -7.965 1.00 0.00 N ATOM 565 CA LEU B 18 12.061 1.449 -6.914 1.00 0.00 C ATOM 566 C LEU B 18 12.758 0.174 -7.379 1.00 0.00 C ATOM 567 O LEU B 18 12.862 -0.081 -8.579 1.00 0.00 O ATOM 568 CB LEU B 18 11.230 1.167 -5.660 1.00 0.00 C ATOM 569 CG LEU B 18 11.549 2.041 -4.453 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.452 3.518 -4.808 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.622 1.708 -3.295 1.00 0.00 C ATOM 0 H LEU B 18 10.538 1.315 -8.346 1.00 0.00 H new ATOM 0 HA LEU B 18 12.826 2.189 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.176 1.291 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.371 0.123 -5.379 1.00 0.00 H new ATOM 0 HG LEU B 18 12.575 1.834 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.684 4.119 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.161 3.748 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.441 3.745 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.864 2.341 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.589 1.882 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.748 0.662 -3.017 1.00 0.00 H new ATOM 583 N THR B 19 13.235 -0.622 -6.427 1.00 0.00 N ATOM 584 CA THR B 19 13.920 -1.864 -6.740 1.00 0.00 C ATOM 585 C THR B 19 13.869 -2.826 -5.559 1.00 0.00 C ATOM 586 O THR B 19 13.870 -2.411 -4.400 1.00 0.00 O ATOM 587 CB THR B 19 15.393 -1.620 -7.119 1.00 0.00 C ATOM 588 OG1 THR B 19 15.480 -0.601 -8.122 1.00 0.00 O ATOM 589 CG2 THR B 19 16.036 -2.897 -7.633 1.00 0.00 C ATOM 0 H THR B 19 13.157 -0.425 -5.429 1.00 0.00 H new ATOM 0 HA THR B 19 13.403 -2.302 -7.593 1.00 0.00 H new ATOM 0 HB THR B 19 15.926 -1.296 -6.225 1.00 0.00 H new ATOM 0 HG1 THR B 19 16.420 -0.451 -8.356 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.076 -2.701 -7.895 1.00 0.00 H new ATOM 0 HG22 THR B 19 15.995 -3.663 -6.858 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.499 -3.245 -8.516 1.00 0.00 H new ATOM 597 N GLN B 20 13.822 -4.112 -5.870 1.00 0.00 N ATOM 598 CA GLN B 20 13.769 -5.154 -4.857 1.00 0.00 C ATOM 599 C GLN B 20 14.983 -5.084 -3.941 1.00 0.00 C ATOM 600 O GLN B 20 16.019 -4.528 -4.305 1.00 0.00 O ATOM 601 CB GLN B 20 13.706 -6.528 -5.526 1.00 0.00 C ATOM 602 CG GLN B 20 12.642 -6.638 -6.606 1.00 0.00 C ATOM 603 CD GLN B 20 12.768 -7.909 -7.420 1.00 0.00 C ATOM 604 OE1 GLN B 20 13.241 -8.932 -6.926 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.342 -7.850 -8.677 1.00 0.00 N ATOM 0 H GLN B 20 13.820 -4.462 -6.828 1.00 0.00 H new ATOM 0 HA GLN B 20 12.873 -5.001 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.679 -6.753 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.516 -7.284 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.655 -6.603 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.713 -5.777 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.957 -6.980 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.400 -8.675 -9.274 1.00 0.00 H new ATOM 614 N GLY B 21 14.847 -5.652 -2.748 1.00 0.00 N ATOM 615 CA GLY B 21 15.943 -5.650 -1.794 1.00 0.00 C ATOM 616 C GLY B 21 15.719 -4.694 -0.637 1.00 0.00 C ATOM 617 O GLY B 21 16.610 -4.492 0.186 1.00 0.00 O ATOM 0 H GLY B 21 13.998 -6.114 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.080 -6.659 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.865 -5.380 -2.309 1.00 0.00 H new ATOM 621 N GLN B 22 14.530 -4.104 -0.576 1.00 0.00 N ATOM 622 CA GLN B 22 14.192 -3.170 0.479 1.00 0.00 C ATOM 623 C GLN B 22 12.883 -3.567 1.144 1.00 0.00 C ATOM 624 O GLN B 22 12.025 -4.197 0.525 1.00 0.00 O ATOM 625 CB GLN B 22 14.088 -1.761 -0.094 1.00 0.00 C ATOM 626 CG GLN B 22 13.240 -1.681 -1.351 1.00 0.00 C ATOM 627 CD GLN B 22 13.256 -0.303 -1.975 1.00 0.00 C ATOM 628 OE1 GLN B 22 13.129 -0.155 -3.190 1.00 0.00 O ATOM 629 NE2 GLN B 22 13.418 0.714 -1.142 1.00 0.00 N ATOM 0 H GLN B 22 13.783 -4.261 -1.252 1.00 0.00 H new ATOM 0 HA GLN B 22 14.979 -3.191 1.233 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.666 -1.100 0.663 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.089 -1.393 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN B 22 13.603 -2.409 -2.077 1.00 0.00 H new ATOM 0 HG3 GLN B 22 12.213 -1.955 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.519 0.543 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN B 22 13.441 1.668 -1.501 1.00 0.00 H new ATOM 638 N GLU B 23 12.736 -3.198 2.407 1.00 0.00 N ATOM 639 CA GLU B 23 11.527 -3.521 3.162 1.00 0.00 C ATOM 640 C GLU B 23 10.807 -2.262 3.625 1.00 0.00 C ATOM 641 O GLU B 23 11.154 -1.151 3.226 1.00 0.00 O ATOM 642 CB GLU B 23 11.859 -4.390 4.377 1.00 0.00 C ATOM 643 CG GLU B 23 12.653 -5.638 4.035 1.00 0.00 C ATOM 644 CD GLU B 23 13.029 -6.444 5.264 1.00 0.00 C ATOM 645 OE1 GLU B 23 12.236 -7.323 5.661 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.115 -6.196 5.827 1.00 0.00 O ATOM 0 H GLU B 23 13.436 -2.675 2.934 1.00 0.00 H new ATOM 0 HA GLU B 23 10.869 -4.074 2.492 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.424 -3.795 5.094 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.931 -4.683 4.867 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.068 -6.263 3.360 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.559 -5.353 3.501 1.00 0.00 H new ATOM 653 N LEU B 24 9.797 -2.449 4.472 1.00 0.00 N ATOM 654 CA LEU B 24 9.019 -1.335 4.995 1.00 0.00 C ATOM 655 C LEU B 24 8.257 -1.734 6.257 1.00 0.00 C ATOM 656 O LEU B 24 7.767 -2.856 6.373 1.00 0.00 O ATOM 657 CB LEU B 24 8.034 -0.838 3.936 1.00 0.00 C ATOM 658 CG LEU B 24 6.919 0.065 4.466 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.405 1.496 4.612 1.00 0.00 C ATOM 660 CD2 LEU B 24 5.701 0.001 3.557 1.00 0.00 C ATOM 0 H LEU B 24 9.500 -3.365 4.810 1.00 0.00 H new ATOM 0 HA LEU B 24 9.713 -0.535 5.252 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.589 -0.295 3.171 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.581 -1.701 3.448 1.00 0.00 H new ATOM 0 HG LEU B 24 6.630 -0.296 5.453 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.594 2.119 4.990 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.242 1.527 5.310 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.728 1.871 3.641 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.919 0.650 3.951 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.977 0.331 2.556 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.334 -1.024 3.513 1.00 0.00 H new ATOM 672 N VAL B 25 8.164 -0.798 7.196 1.00 0.00 N ATOM 673 CA VAL B 25 7.446 -1.021 8.446 1.00 0.00 C ATOM 674 C VAL B 25 6.805 0.278 8.921 1.00 0.00 C ATOM 675 O VAL B 25 7.429 1.072 9.625 1.00 0.00 O ATOM 676 CB VAL B 25 8.369 -1.573 9.556 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.649 -1.595 10.897 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.864 -2.964 9.196 1.00 0.00 C ATOM 0 H VAL B 25 8.581 0.129 7.113 1.00 0.00 H new ATOM 0 HA VAL B 25 6.676 -1.767 8.247 1.00 0.00 H new ATOM 0 HB VAL B 25 9.230 -0.911 9.642 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.318 -1.987 11.663 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.346 -0.583 11.164 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.767 -2.231 10.826 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.512 -3.336 9.989 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.012 -3.634 9.079 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.423 -2.921 8.261 1.00 0.00 H new ATOM 688 N LEU B 26 5.558 0.496 8.518 1.00 0.00 N ATOM 689 CA LEU B 26 4.833 1.704 8.890 1.00 0.00 C ATOM 690 C LEU B 26 4.616 1.778 10.397 1.00 0.00 C ATOM 691 O LEU B 26 4.654 0.764 11.093 1.00 0.00 O ATOM 692 CB LEU B 26 3.488 1.760 8.169 1.00 0.00 C ATOM 693 CG LEU B 26 3.573 1.842 6.644 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.194 1.701 6.024 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.223 3.149 6.216 1.00 0.00 C ATOM 0 H LEU B 26 5.028 -0.150 7.933 1.00 0.00 H new ATOM 0 HA LEU B 26 5.438 2.560 8.590 1.00 0.00 H new ATOM 0 HB2 LEU B 26 2.912 0.875 8.438 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.933 2.625 8.534 1.00 0.00 H new ATOM 0 HG LEU B 26 4.193 1.019 6.289 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.275 1.762 4.939 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.767 0.738 6.302 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.549 2.502 6.385 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.275 3.190 5.128 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.631 3.987 6.583 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.230 3.207 6.630 1.00 0.00 H new ATOM 707 N THR B 27 4.387 2.990 10.889 1.00 0.00 N ATOM 708 CA THR B 27 4.159 3.210 12.311 1.00 0.00 C ATOM 709 C THR B 27 3.160 4.340 12.535 1.00 0.00 C ATOM 710 O THR B 27 3.500 5.515 12.405 1.00 0.00 O ATOM 711 CB THR B 27 5.471 3.544 13.046 1.00 0.00 C ATOM 712 OG1 THR B 27 6.429 2.502 12.834 1.00 0.00 O ATOM 713 CG2 THR B 27 5.229 3.720 14.537 1.00 0.00 C ATOM 0 H THR B 27 4.354 3.837 10.322 1.00 0.00 H new ATOM 0 HA THR B 27 3.753 2.283 12.716 1.00 0.00 H new ATOM 0 HB THR B 27 5.857 4.481 12.645 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.261 2.722 13.303 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.171 3.955 15.033 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.521 4.533 14.697 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.821 2.798 14.951 1.00 0.00 H new ATOM 721 N LEU B 28 1.927 3.976 12.869 1.00 0.00 N ATOM 722 CA LEU B 28 0.877 4.959 13.107 1.00 0.00 C ATOM 723 C LEU B 28 0.166 4.687 14.433 1.00 0.00 C ATOM 724 O LEU B 28 -0.047 3.534 14.803 1.00 0.00 O ATOM 725 CB LEU B 28 -0.135 4.940 11.961 1.00 0.00 C ATOM 726 CG LEU B 28 0.450 5.220 10.574 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.614 5.041 9.503 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.037 6.621 10.514 1.00 0.00 C ATOM 0 H LEU B 28 1.630 3.007 12.981 1.00 0.00 H new ATOM 0 HA LEU B 28 1.340 5.944 13.159 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.622 3.965 11.943 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.909 5.679 12.168 1.00 0.00 H new ATOM 0 HG LEU B 28 1.251 4.505 10.388 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.182 5.244 8.523 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.989 4.018 9.530 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.436 5.733 9.687 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.448 6.801 9.521 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.256 7.352 10.722 1.00 0.00 H new ATOM 0 HD23 LEU B 28 1.829 6.716 11.257 1.00 0.00 H new ATOM 740 N PRO B 29 -0.210 5.751 15.166 1.00 0.00 N ATOM 741 CA PRO B 29 -0.899 5.619 16.450 1.00 0.00 C ATOM 742 C PRO B 29 -2.393 5.364 16.285 1.00 0.00 C ATOM 743 O PRO B 29 -3.106 6.168 15.684 1.00 0.00 O ATOM 744 CB PRO B 29 -0.656 6.973 17.107 1.00 0.00 C ATOM 745 CG PRO B 29 -0.567 7.933 15.969 1.00 0.00 C ATOM 746 CD PRO B 29 0.008 7.166 14.804 1.00 0.00 C ATOM 0 HA PRO B 29 -0.534 4.771 17.030 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.468 7.236 17.785 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.262 6.969 17.695 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.550 8.334 15.722 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.068 8.781 16.226 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.494 7.421 13.871 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.067 7.384 14.666 1.00 0.00 H new ATOM 754 N SER B 30 -2.861 4.243 16.820 1.00 0.00 N ATOM 755 CA SER B 30 -4.271 3.882 16.733 1.00 0.00 C ATOM 756 C SER B 30 -4.610 2.763 17.711 1.00 0.00 C ATOM 757 O SER B 30 -3.982 1.704 17.699 1.00 0.00 O ATOM 758 CB SER B 30 -4.620 3.452 15.309 1.00 0.00 C ATOM 759 OG SER B 30 -3.855 2.330 14.910 1.00 0.00 O ATOM 0 H SER B 30 -2.284 3.567 17.320 1.00 0.00 H new ATOM 0 HA SER B 30 -4.861 4.760 16.997 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.681 3.211 15.249 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.441 4.280 14.623 1.00 0.00 H new ATOM 0 HG SER B 30 -3.737 1.727 15.673 1.00 0.00 H new ATOM 765 N ASN B 31 -5.608 3.001 18.555 1.00 0.00 N ATOM 766 CA ASN B 31 -6.031 2.013 19.539 1.00 0.00 C ATOM 767 C ASN B 31 -7.178 1.163 18.995 1.00 0.00 C ATOM 768 O ASN B 31 -8.104 1.684 18.374 1.00 0.00 O ATOM 769 CB ASN B 31 -6.465 2.705 20.833 1.00 0.00 C ATOM 770 CG ASN B 31 -5.347 3.517 21.455 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.171 3.186 21.318 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.713 4.590 22.147 1.00 0.00 N ATOM 0 H ASN B 31 -6.140 3.871 18.577 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.184 1.360 19.750 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.313 3.358 20.626 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.806 1.955 21.546 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.006 5.176 22.590 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.701 4.828 22.235 1.00 0.00 H new ATOM 779 N PRO B 32 -7.133 -0.165 19.220 1.00 0.00 N ATOM 780 CA PRO B 32 -8.172 -1.083 18.748 1.00 0.00 C ATOM 781 C PRO B 32 -9.418 -1.064 19.627 1.00 0.00 C ATOM 782 O PRO B 32 -10.255 -1.964 19.552 1.00 0.00 O ATOM 783 CB PRO B 32 -7.482 -2.437 18.833 1.00 0.00 C ATOM 784 CG PRO B 32 -6.590 -2.292 20.006 1.00 0.00 C ATOM 785 CD PRO B 32 -6.068 -0.882 19.948 1.00 0.00 C ATOM 0 HA PRO B 32 -8.532 -0.822 17.753 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.199 -3.246 18.971 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.920 -2.660 17.926 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -7.132 -2.471 20.935 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -5.774 -3.014 19.969 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.911 -0.468 20.944 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.113 -0.826 19.425 1.00 0.00 H new ATOM 793 N THR B 33 -9.539 -0.034 20.458 1.00 0.00 N ATOM 794 CA THR B 33 -10.684 0.096 21.351 1.00 0.00 C ATOM 795 C THR B 33 -11.409 1.418 21.129 1.00 0.00 C ATOM 796 O THR B 33 -12.265 1.807 21.924 1.00 0.00 O ATOM 797 CB THR B 33 -10.258 0.002 22.829 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.333 1.049 23.138 1.00 0.00 O ATOM 799 CG2 THR B 33 -9.619 -1.347 23.119 1.00 0.00 C ATOM 0 H THR B 33 -8.859 0.722 20.531 1.00 0.00 H new ATOM 0 HA THR B 33 -11.358 -0.729 21.120 1.00 0.00 H new ATOM 0 HB THR B 33 -11.147 0.108 23.451 1.00 0.00 H new ATOM 0 HG1 THR B 33 -9.068 0.984 24.079 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.325 -1.393 24.168 1.00 0.00 H new ATOM 0 HG22 THR B 33 -10.335 -2.142 22.908 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.738 -1.475 22.490 1.00 0.00 H new ATOM 807 N THR B 34 -11.064 2.105 20.045 1.00 0.00 N ATOM 808 CA THR B 34 -11.684 3.383 19.722 1.00 0.00 C ATOM 809 C THR B 34 -12.777 3.217 18.673 1.00 0.00 C ATOM 810 O THR B 34 -13.940 3.536 18.919 1.00 0.00 O ATOM 811 CB THR B 34 -10.646 4.399 19.208 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.978 3.875 18.054 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.626 4.721 20.287 1.00 0.00 C ATOM 0 H THR B 34 -10.358 1.797 19.376 1.00 0.00 H new ATOM 0 HA THR B 34 -12.125 3.760 20.645 1.00 0.00 H new ATOM 0 HB THR B 34 -11.169 5.317 18.939 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.370 3.157 18.326 1.00 0.00 H new ATOM 0 HG21 THR B 34 -8.903 5.440 19.902 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.134 5.146 21.153 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.108 3.808 20.582 1.00 0.00 H new ATOM 821 N GLY B 35 -12.396 2.712 17.503 1.00 0.00 N ATOM 822 CA GLY B 35 -13.354 2.511 16.435 1.00 0.00 C ATOM 823 C GLY B 35 -12.753 2.788 15.075 1.00 0.00 C ATOM 824 O GLY B 35 -12.939 2.014 14.136 1.00 0.00 O ATOM 0 H GLY B 35 -11.440 2.439 17.277 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.722 1.486 16.467 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.213 3.163 16.591 1.00 0.00 H new ATOM 828 N PHE B 36 -12.023 3.894 14.970 1.00 0.00 N ATOM 829 CA PHE B 36 -11.386 4.274 13.718 1.00 0.00 C ATOM 830 C PHE B 36 -10.011 3.635 13.593 1.00 0.00 C ATOM 831 O PHE B 36 -9.048 4.076 14.217 1.00 0.00 O ATOM 832 CB PHE B 36 -11.264 5.790 13.623 1.00 0.00 C ATOM 833 CG PHE B 36 -12.503 6.466 13.110 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.557 6.751 13.962 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.612 6.816 11.773 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.696 7.374 13.491 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.749 7.438 11.296 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.792 7.717 12.158 1.00 0.00 C ATOM 0 H PHE B 36 -11.859 4.543 15.740 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.010 3.915 12.900 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.025 6.189 14.609 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.428 6.038 12.968 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.487 6.483 15.006 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.798 6.600 11.097 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.511 7.592 14.165 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.823 7.706 10.252 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.683 8.204 11.788 1.00 0.00 H new ATOM 848 N ARG B 37 -9.933 2.587 12.788 1.00 0.00 N ATOM 849 CA ARG B 37 -8.679 1.878 12.566 1.00 0.00 C ATOM 850 C ARG B 37 -8.076 2.255 11.220 1.00 0.00 C ATOM 851 O ARG B 37 -8.364 3.320 10.674 1.00 0.00 O ATOM 852 CB ARG B 37 -8.909 0.370 12.619 1.00 0.00 C ATOM 853 CG ARG B 37 -8.969 -0.196 14.028 1.00 0.00 C ATOM 854 CD ARG B 37 -7.619 -0.113 14.722 1.00 0.00 C ATOM 855 NE ARG B 37 -6.591 -0.866 14.010 1.00 0.00 N ATOM 856 CZ ARG B 37 -5.375 -1.089 14.492 1.00 0.00 C ATOM 857 NH1 ARG B 37 -5.031 -0.621 15.683 1.00 0.00 N ATOM 858 NH2 ARG B 37 -4.494 -1.784 13.782 1.00 0.00 N ATOM 0 H ARG B 37 -10.727 2.206 12.274 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.983 2.165 13.355 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.841 0.137 12.105 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.109 -0.129 12.072 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.712 0.351 14.609 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -9.296 -1.235 13.990 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.315 0.931 14.800 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.710 -0.495 15.739 1.00 0.00 H new ATOM 0 HE ARG B 37 -6.820 -1.242 13.090 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.702 -0.086 16.234 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -4.095 -0.795 16.049 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.752 -2.147 12.864 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.560 -1.954 14.154 1.00 0.00 H new ATOM 872 N TRP B 38 -7.239 1.371 10.688 1.00 0.00 N ATOM 873 CA TRP B 38 -6.598 1.609 9.405 1.00 0.00 C ATOM 874 C TRP B 38 -6.916 0.485 8.429 1.00 0.00 C ATOM 875 O TRP B 38 -6.526 -0.664 8.642 1.00 0.00 O ATOM 876 CB TRP B 38 -5.083 1.754 9.576 1.00 0.00 C ATOM 877 CG TRP B 38 -4.687 2.975 10.347 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.482 3.065 11.692 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.451 4.286 9.816 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.135 4.350 12.033 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.109 5.119 10.898 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.494 4.836 8.532 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.813 6.469 10.736 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.202 6.179 8.372 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.864 6.982 9.466 1.00 0.00 C ATOM 0 H TRP B 38 -6.990 0.484 11.127 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.990 2.541 8.998 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.696 0.871 10.084 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.615 1.787 8.592 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.578 2.245 12.388 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.930 4.678 12.977 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.751 4.224 7.680 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.553 7.090 11.580 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.236 6.615 7.384 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.639 8.026 9.307 1.00 0.00 H new ATOM 896 N GLU B 39 -7.627 0.824 7.359 1.00 0.00 N ATOM 897 CA GLU B 39 -8.010 -0.158 6.354 1.00 0.00 C ATOM 898 C GLU B 39 -6.970 -0.255 5.244 1.00 0.00 C ATOM 899 O GLU B 39 -6.292 0.718 4.923 1.00 0.00 O ATOM 900 CB GLU B 39 -9.374 0.195 5.763 1.00 0.00 C ATOM 901 CG GLU B 39 -10.530 -0.069 6.713 1.00 0.00 C ATOM 902 CD GLU B 39 -10.658 -1.533 7.076 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.985 -1.968 8.034 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.430 -2.247 6.405 1.00 0.00 O ATOM 0 H GLU B 39 -7.949 1.772 7.166 1.00 0.00 H new ATOM 0 HA GLU B 39 -8.071 -1.129 6.845 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.378 1.248 5.481 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.526 -0.380 4.849 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.391 0.517 7.622 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.458 0.271 6.254 1.00 0.00 H new ATOM 911 N LEU B 40 -6.859 -1.445 4.663 1.00 0.00 N ATOM 912 CA LEU B 40 -5.911 -1.691 3.586 1.00 0.00 C ATOM 913 C LEU B 40 -6.632 -1.761 2.243 1.00 0.00 C ATOM 914 O LEU B 40 -7.452 -2.648 2.016 1.00 0.00 O ATOM 915 CB LEU B 40 -5.151 -2.992 3.843 1.00 0.00 C ATOM 916 CG LEU B 40 -4.158 -3.395 2.752 1.00 0.00 C ATOM 917 CD1 LEU B 40 -3.067 -2.346 2.605 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.553 -4.753 3.069 1.00 0.00 C ATOM 0 H LEU B 40 -7.418 -2.258 4.923 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.200 -0.865 3.554 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.612 -2.898 4.786 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.875 -3.798 3.968 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.693 -3.464 1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.371 -2.652 1.824 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.516 -1.389 2.337 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.531 -2.244 3.549 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.848 -5.029 2.285 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.032 -4.705 4.025 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.345 -5.500 3.124 1.00 0.00 H new ATOM 930 N ARG B 41 -6.319 -0.820 1.358 1.00 0.00 N ATOM 931 CA ARG B 41 -6.943 -0.774 0.042 1.00 0.00 C ATOM 932 C ARG B 41 -6.089 -1.482 -1.003 1.00 0.00 C ATOM 933 O ARG B 41 -6.526 -2.454 -1.620 1.00 0.00 O ATOM 934 CB ARG B 41 -7.182 0.678 -0.380 1.00 0.00 C ATOM 935 CG ARG B 41 -8.103 1.442 0.555 1.00 0.00 C ATOM 936 CD ARG B 41 -9.500 0.842 0.580 1.00 0.00 C ATOM 937 NE ARG B 41 -10.117 0.836 -0.742 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.308 0.305 -0.997 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.007 -0.264 -0.025 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.799 0.343 -2.228 1.00 0.00 N ATOM 0 H ARG B 41 -5.638 -0.080 1.529 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.899 -1.293 0.109 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.223 1.194 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.607 0.690 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.686 1.436 1.562 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.160 2.484 0.240 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.449 -0.178 0.961 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.126 1.409 1.269 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.605 1.263 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.631 -0.295 0.923 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.921 -0.671 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.263 0.779 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.713 -0.064 -2.425 1.00 0.00 H new ATOM 954 N ASN B 42 -4.869 -0.992 -1.199 1.00 0.00 N ATOM 955 CA ASN B 42 -3.960 -1.580 -2.177 1.00 0.00 C ATOM 956 C ASN B 42 -2.567 -1.777 -1.583 1.00 0.00 C ATOM 957 O ASN B 42 -1.727 -0.884 -1.653 1.00 0.00 O ATOM 958 CB ASN B 42 -3.875 -0.685 -3.417 1.00 0.00 C ATOM 959 CG ASN B 42 -3.127 -1.347 -4.557 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.116 -2.572 -4.679 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.500 -0.539 -5.404 1.00 0.00 N ATOM 0 H ASN B 42 -4.488 -0.191 -0.695 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.352 -2.557 -2.461 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.882 -0.429 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.379 0.249 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.984 -0.928 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.535 0.471 -5.266 1.00 0.00 H new ATOM 968 N PRO B 43 -2.302 -2.955 -0.988 1.00 0.00 N ATOM 969 CA PRO B 43 -1.001 -3.260 -0.382 1.00 0.00 C ATOM 970 C PRO B 43 0.098 -3.462 -1.420 1.00 0.00 C ATOM 971 O PRO B 43 1.248 -3.718 -1.070 1.00 0.00 O ATOM 972 CB PRO B 43 -1.257 -4.563 0.369 1.00 0.00 C ATOM 973 CG PRO B 43 -2.381 -5.205 -0.366 1.00 0.00 C ATOM 974 CD PRO B 43 -3.248 -4.080 -0.852 1.00 0.00 C ATOM 0 HA PRO B 43 -0.651 -2.443 0.249 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.372 -5.199 0.373 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.520 -4.376 1.410 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.012 -5.803 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.941 -5.877 0.285 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.725 -4.321 -1.802 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.045 -3.852 -0.144 1.00 0.00 H new ATOM 982 N ALA B 44 -0.262 -3.348 -2.697 1.00 0.00 N ATOM 983 CA ALA B 44 0.697 -3.534 -3.778 1.00 0.00 C ATOM 984 C ALA B 44 1.365 -4.899 -3.668 1.00 0.00 C ATOM 985 O ALA B 44 2.470 -5.105 -4.170 1.00 0.00 O ATOM 986 CB ALA B 44 1.746 -2.432 -3.759 1.00 0.00 C ATOM 0 H ALA B 44 -1.209 -3.128 -3.005 1.00 0.00 H new ATOM 0 HA ALA B 44 0.159 -3.484 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.453 -2.589 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.259 -1.464 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.278 -2.453 -2.808 1.00 0.00 H new ATOM 992 N ALA B 45 0.680 -5.829 -3.007 1.00 0.00 N ATOM 993 CA ALA B 45 1.194 -7.179 -2.818 1.00 0.00 C ATOM 994 C ALA B 45 1.520 -7.842 -4.151 1.00 0.00 C ATOM 995 O ALA B 45 2.222 -8.853 -4.196 1.00 0.00 O ATOM 996 CB ALA B 45 0.194 -8.019 -2.039 1.00 0.00 C ATOM 0 H ALA B 45 -0.238 -5.669 -2.592 1.00 0.00 H new ATOM 0 HA ALA B 45 2.119 -7.108 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.591 -9.025 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA B 45 0.019 -7.565 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -0.745 -8.070 -2.589 1.00 0.00 H new ATOM 1002 N SER B 46 1.005 -7.269 -5.233 1.00 0.00 N ATOM 1003 CA SER B 46 1.243 -7.804 -6.567 1.00 0.00 C ATOM 1004 C SER B 46 2.734 -7.833 -6.886 1.00 0.00 C ATOM 1005 O SER B 46 3.192 -8.658 -7.677 1.00 0.00 O ATOM 1006 CB SER B 46 0.503 -6.970 -7.612 1.00 0.00 C ATOM 1007 OG SER B 46 -0.894 -6.982 -7.378 1.00 0.00 O ATOM 0 H SER B 46 0.420 -6.434 -5.212 1.00 0.00 H new ATOM 0 HA SER B 46 0.866 -8.826 -6.593 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.870 -5.944 -7.589 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.711 -7.361 -8.608 1.00 0.00 H new ATOM 0 HG SER B 46 -1.344 -6.440 -8.059 1.00 0.00 H new ATOM 1013 N VAL B 47 3.488 -6.930 -6.267 1.00 0.00 N ATOM 1014 CA VAL B 47 4.926 -6.857 -6.494 1.00 0.00 C ATOM 1015 C VAL B 47 5.698 -6.819 -5.178 1.00 0.00 C ATOM 1016 O VAL B 47 6.921 -6.965 -5.165 1.00 0.00 O ATOM 1017 CB VAL B 47 5.301 -5.623 -7.332 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.683 -5.715 -8.714 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.868 -4.346 -6.630 1.00 0.00 C ATOM 0 H VAL B 47 3.128 -6.241 -5.607 1.00 0.00 H new ATOM 0 HA VAL B 47 5.201 -7.758 -7.043 1.00 0.00 H new ATOM 0 HB VAL B 47 6.385 -5.596 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.958 -4.834 -9.295 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.049 -6.610 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.598 -5.767 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.143 -3.485 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.788 -4.359 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.363 -4.278 -5.661 1.00 0.00 H new ATOM 1029 N LEU B 48 4.981 -6.624 -4.077 1.00 0.00 N ATOM 1030 CA LEU B 48 5.607 -6.568 -2.763 1.00 0.00 C ATOM 1031 C LEU B 48 5.179 -7.757 -1.909 1.00 0.00 C ATOM 1032 O LEU B 48 4.017 -7.867 -1.516 1.00 0.00 O ATOM 1033 CB LEU B 48 5.252 -5.258 -2.059 1.00 0.00 C ATOM 1034 CG LEU B 48 5.309 -4.011 -2.945 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.872 -2.783 -2.162 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.711 -3.818 -3.504 1.00 0.00 C ATOM 0 H LEU B 48 3.968 -6.502 -4.069 1.00 0.00 H new ATOM 0 HA LEU B 48 6.688 -6.612 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.247 -5.346 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.932 -5.119 -1.218 1.00 0.00 H new ATOM 0 HG LEU B 48 4.623 -4.149 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU B 48 4.918 -1.905 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.850 -2.921 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.534 -2.641 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU B 48 6.733 -2.927 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.417 -3.701 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.988 -4.688 -4.099 1.00 0.00 H new ATOM 1048 N LYS B 49 6.126 -8.644 -1.622 1.00 0.00 N ATOM 1049 CA LYS B 49 5.848 -9.828 -0.821 1.00 0.00 C ATOM 1050 C LYS B 49 5.692 -9.469 0.653 1.00 0.00 C ATOM 1051 O LYS B 49 6.442 -8.649 1.182 1.00 0.00 O ATOM 1052 CB LYS B 49 6.969 -10.856 -0.988 1.00 0.00 C ATOM 1053 CG LYS B 49 6.690 -12.177 -0.292 1.00 0.00 C ATOM 1054 CD LYS B 49 7.891 -13.104 -0.364 1.00 0.00 C ATOM 1055 CE LYS B 49 9.018 -12.631 0.538 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.602 -12.585 1.966 1.00 0.00 N ATOM 0 H LYS B 49 7.094 -8.564 -1.933 1.00 0.00 H new ATOM 0 HA LYS B 49 4.910 -10.258 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS B 49 7.126 -11.041 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.896 -10.437 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.432 -11.993 0.751 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.828 -12.659 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.591 -14.111 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS B 49 8.247 -13.160 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.874 -13.298 0.430 1.00 0.00 H new ATOM 0 HE3 LYS B 49 9.344 -11.640 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.445 -12.611 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.073 -11.708 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 7.997 -13.404 2.178 1.00 0.00 H new ATOM 1070 N ARG B 50 4.715 -10.086 1.308 1.00 0.00 N ATOM 1071 CA ARG B 50 4.463 -9.832 2.721 1.00 0.00 C ATOM 1072 C ARG B 50 5.282 -10.780 3.591 1.00 0.00 C ATOM 1073 O ARG B 50 5.349 -11.979 3.326 1.00 0.00 O ATOM 1074 CB ARG B 50 2.973 -9.988 3.033 1.00 0.00 C ATOM 1075 CG ARG B 50 2.421 -11.365 2.709 1.00 0.00 C ATOM 1076 CD ARG B 50 0.931 -11.450 2.993 1.00 0.00 C ATOM 1077 NE ARG B 50 0.620 -11.148 4.388 1.00 0.00 N ATOM 1078 CZ ARG B 50 -0.617 -11.059 4.866 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -1.656 -11.251 4.064 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -0.816 -10.782 6.146 1.00 0.00 N ATOM 0 H ARG B 50 4.085 -10.766 0.883 1.00 0.00 H new ATOM 0 HA ARG B 50 4.764 -8.808 2.944 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.809 -9.780 4.090 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.413 -9.241 2.471 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.606 -11.594 1.660 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.948 -12.117 3.297 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.398 -10.754 2.344 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.572 -12.450 2.750 1.00 0.00 H new ATOM 0 HE ARG B 50 1.396 -10.997 5.032 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.506 -11.467 3.079 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.604 -11.182 4.433 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -0.019 -10.637 6.766 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -1.766 -10.714 6.511 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.082 -1.273 18.454 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.603 -0.306 17.472 1.00 0.00 C ATOM 1351 C GLU B 71 -0.573 -0.918 16.077 1.00 0.00 C ATOM 1352 O GLU B 71 -0.325 -2.113 15.917 1.00 0.00 O ATOM 1353 CB GLU B 71 0.791 0.194 17.856 1.00 0.00 C ATOM 1354 CG GLU B 71 0.816 1.010 19.138 1.00 0.00 C ATOM 1355 CD GLU B 71 0.401 0.205 20.355 1.00 0.00 C ATOM 1356 OE1 GLU B 71 -0.783 0.283 20.742 1.00 0.00 O ATOM 1357 OE2 GLU B 71 1.262 -0.499 20.921 1.00 0.00 O ATOM 0 HA GLU B 71 -1.293 0.538 17.462 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.456 -0.662 17.968 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.187 0.801 17.042 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.821 1.403 19.293 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.151 1.867 19.031 1.00 0.00 H new ATOM 1364 N SER B 72 -0.826 -0.090 15.068 1.00 0.00 N ATOM 1365 CA SER B 72 -0.830 -0.550 13.684 1.00 0.00 C ATOM 1366 C SER B 72 0.593 -0.742 13.168 1.00 0.00 C ATOM 1367 O SER B 72 1.460 0.105 13.375 1.00 0.00 O ATOM 1368 CB SER B 72 -1.574 0.449 12.797 1.00 0.00 C ATOM 1369 OG SER B 72 -1.588 0.020 11.447 1.00 0.00 O ATOM 0 H SER B 72 -1.031 0.903 15.183 1.00 0.00 H new ATOM 0 HA SER B 72 -1.342 -1.512 13.649 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.597 0.567 13.155 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.097 1.427 12.866 1.00 0.00 H new ATOM 0 HG SER B 72 -2.466 0.206 11.054 1.00 0.00 H new ATOM 1375 N THR B 73 0.821 -1.865 12.496 1.00 0.00 N ATOM 1376 CA THR B 73 2.135 -2.176 11.945 1.00 0.00 C ATOM 1377 C THR B 73 2.009 -2.881 10.601 1.00 0.00 C ATOM 1378 O THR B 73 1.482 -3.990 10.521 1.00 0.00 O ATOM 1379 CB THR B 73 2.952 -3.060 12.907 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.062 -2.424 14.185 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.342 -3.326 12.349 1.00 0.00 C ATOM 0 H THR B 73 0.112 -2.576 12.319 1.00 0.00 H new ATOM 0 HA THR B 73 2.657 -1.229 11.807 1.00 0.00 H new ATOM 0 HB THR B 73 2.432 -4.012 13.018 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.581 -2.994 14.790 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.900 -3.952 13.045 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.257 -3.837 11.390 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.866 -2.380 12.211 1.00 0.00 H new ATOM 1389 N TRP B 74 2.495 -2.232 9.549 1.00 0.00 N ATOM 1390 CA TRP B 74 2.433 -2.799 8.206 1.00 0.00 C ATOM 1391 C TRP B 74 3.826 -3.146 7.693 1.00 0.00 C ATOM 1392 O TRP B 74 4.648 -2.262 7.449 1.00 0.00 O ATOM 1393 CB TRP B 74 1.755 -1.819 7.250 1.00 0.00 C ATOM 1394 CG TRP B 74 0.375 -1.428 7.681 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.023 -0.328 8.406 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.840 -2.139 7.416 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.336 -0.311 8.607 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.887 -1.412 8.009 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -1.143 -3.320 6.733 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -3.215 -1.827 7.941 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.460 -3.730 6.665 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.482 -2.984 7.265 1.00 0.00 C ATOM 0 H TRP B 74 2.936 -1.314 9.599 1.00 0.00 H new ATOM 0 HA TRP B 74 1.847 -3.717 8.254 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.369 -0.922 7.165 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.705 -2.267 6.257 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.712 0.420 8.769 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.851 0.406 9.119 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.361 -3.902 6.267 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -4.005 -1.255 8.406 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.706 -4.641 6.140 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.502 -3.330 7.192 1.00 0.00 H new ATOM 1413 N ARG B 75 4.084 -4.440 7.529 1.00 0.00 N ATOM 1414 CA ARG B 75 5.378 -4.906 7.044 1.00 0.00 C ATOM 1415 C ARG B 75 5.288 -5.362 5.591 1.00 0.00 C ATOM 1416 O ARG B 75 4.370 -6.093 5.219 1.00 0.00 O ATOM 1417 CB ARG B 75 5.890 -6.051 7.917 1.00 0.00 C ATOM 1418 CG ARG B 75 6.064 -5.669 9.374 1.00 0.00 C ATOM 1419 CD ARG B 75 6.837 -6.728 10.135 1.00 0.00 C ATOM 1420 NE ARG B 75 6.144 -8.013 10.141 1.00 0.00 N ATOM 1421 CZ ARG B 75 6.646 -9.119 10.681 1.00 0.00 C ATOM 1422 NH1 ARG B 75 7.839 -9.097 11.258 1.00 0.00 N ATOM 1423 NH2 ARG B 75 5.952 -10.249 10.646 1.00 0.00 N ATOM 0 H ARG B 75 3.414 -5.184 7.725 1.00 0.00 H new ATOM 0 HA ARG B 75 6.078 -4.072 7.100 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.195 -6.888 7.849 1.00 0.00 H new ATOM 0 HB3 ARG B 75 6.846 -6.398 7.524 1.00 0.00 H new ATOM 0 HG2 ARG B 75 6.587 -4.715 9.442 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.086 -5.529 9.834 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.823 -6.850 9.686 1.00 0.00 H new ATOM 0 HD3 ARG B 75 6.993 -6.396 11.161 1.00 0.00 H new ATOM 0 HE ARG B 75 5.223 -8.065 9.706 1.00 0.00 H new ATOM 0 HH11 ARG B 75 8.375 -8.230 11.289 1.00 0.00 H new ATOM 0 HH12 ARG B 75 8.221 -9.947 11.671 1.00 0.00 H new ATOM 0 HH21 ARG B 75 5.033 -10.269 10.205 1.00 0.00 H new ATOM 0 HH22 ARG B 75 6.338 -11.097 11.061 1.00 0.00 H new ATOM 1437 N PHE B 76 6.242 -4.925 4.774 1.00 0.00 N ATOM 1438 CA PHE B 76 6.264 -5.291 3.361 1.00 0.00 C ATOM 1439 C PHE B 76 7.694 -5.459 2.854 1.00 0.00 C ATOM 1440 O PHE B 76 8.632 -4.883 3.405 1.00 0.00 O ATOM 1441 CB PHE B 76 5.547 -4.230 2.523 1.00 0.00 C ATOM 1442 CG PHE B 76 4.070 -4.153 2.782 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.544 -3.151 3.580 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.207 -5.078 2.220 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.186 -3.075 3.816 1.00 0.00 C ATOM 1446 CE2 PHE B 76 1.846 -5.009 2.454 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.337 -4.004 3.252 1.00 0.00 C ATOM 0 H PHE B 76 7.009 -4.318 5.065 1.00 0.00 H new ATOM 0 HA PHE B 76 5.746 -6.245 3.260 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.994 -3.257 2.726 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.711 -4.442 1.467 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.204 -2.420 4.023 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.601 -5.863 1.591 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.789 -2.289 4.441 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.183 -5.739 2.014 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.274 -3.945 3.435 1.00 0.00 H new ATOM 1457 N ARG B 77 7.845 -6.257 1.802 1.00 0.00 N ATOM 1458 CA ARG B 77 9.150 -6.507 1.202 1.00 0.00 C ATOM 1459 C ARG B 77 9.055 -6.467 -0.318 1.00 0.00 C ATOM 1460 O ARG B 77 8.081 -6.945 -0.900 1.00 0.00 O ATOM 1461 CB ARG B 77 9.699 -7.865 1.653 1.00 0.00 C ATOM 1462 CG ARG B 77 10.895 -8.343 0.846 1.00 0.00 C ATOM 1463 CD ARG B 77 12.118 -7.472 1.073 1.00 0.00 C ATOM 1464 NE ARG B 77 13.278 -7.958 0.334 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.529 -7.861 0.776 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.780 -7.293 1.947 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.529 -8.333 0.046 1.00 0.00 N ATOM 0 H ARG B 77 7.074 -6.744 1.345 1.00 0.00 H new ATOM 0 HA ARG B 77 9.832 -5.724 1.534 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.984 -7.800 2.703 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.905 -8.609 1.583 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.128 -9.373 1.118 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.641 -8.342 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.896 -6.449 0.769 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.351 -7.444 2.137 1.00 0.00 H new ATOM 0 HE ARG B 77 13.121 -8.397 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.013 -6.929 2.512 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.740 -7.220 2.283 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.340 -8.771 -0.856 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.488 -8.258 0.386 1.00 0.00 H new ATOM 1481 N VAL B 78 10.067 -5.894 -0.956 1.00 0.00 N ATOM 1482 CA VAL B 78 10.096 -5.800 -2.409 1.00 0.00 C ATOM 1483 C VAL B 78 10.918 -6.936 -3.002 1.00 0.00 C ATOM 1484 O VAL B 78 12.141 -6.972 -2.857 1.00 0.00 O ATOM 1485 CB VAL B 78 10.681 -4.455 -2.871 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.418 -4.238 -4.352 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.106 -3.314 -2.048 1.00 0.00 C ATOM 0 H VAL B 78 10.878 -5.488 -0.490 1.00 0.00 H new ATOM 0 HA VAL B 78 9.067 -5.873 -2.761 1.00 0.00 H new ATOM 0 HB VAL B 78 11.760 -4.477 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL B 78 10.839 -3.281 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.882 -5.040 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.343 -4.237 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.531 -2.370 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.023 -3.289 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.351 -3.464 -0.997 1.00 0.00 H new ATOM 1497 N ALA B 79 10.243 -7.869 -3.667 1.00 0.00 N ATOM 1498 CA ALA B 79 10.920 -9.012 -4.268 1.00 0.00 C ATOM 1499 C ALA B 79 10.437 -9.271 -5.691 1.00 0.00 C ATOM 1500 O ALA B 79 10.950 -10.156 -6.373 1.00 0.00 O ATOM 1501 CB ALA B 79 10.716 -10.249 -3.410 1.00 0.00 C ATOM 0 H ALA B 79 9.232 -7.856 -3.803 1.00 0.00 H new ATOM 0 HA ALA B 79 11.984 -8.779 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA B 79 11.225 -11.097 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA B 79 11.125 -10.073 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA B 79 9.651 -10.465 -3.331 1.00 0.00 H new ATOM 1507 N ALA B 80 9.450 -8.502 -6.134 1.00 0.00 N ATOM 1508 CA ALA B 80 8.915 -8.664 -7.481 1.00 0.00 C ATOM 1509 C ALA B 80 8.838 -7.333 -8.213 1.00 0.00 C ATOM 1510 O ALA B 80 8.672 -6.279 -7.600 1.00 0.00 O ATOM 1511 CB ALA B 80 7.545 -9.316 -7.436 1.00 0.00 C ATOM 0 H ALA B 80 9.006 -7.765 -5.586 1.00 0.00 H new ATOM 0 HA ALA B 80 9.598 -9.312 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.162 -9.429 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.624 -10.297 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.864 -8.692 -6.858 1.00 0.00 H new ATOM 1517 N SER B 81 8.957 -7.394 -9.534 1.00 0.00 N ATOM 1518 CA SER B 81 8.905 -6.219 -10.369 1.00 0.00 C ATOM 1519 C SER B 81 7.479 -5.923 -10.795 1.00 0.00 C ATOM 1520 O SER B 81 6.599 -6.779 -10.717 1.00 0.00 O ATOM 1521 CB SER B 81 9.782 -6.425 -11.600 1.00 0.00 C ATOM 1522 OG SER B 81 9.104 -7.179 -12.589 1.00 0.00 O ATOM 0 H SER B 81 9.092 -8.264 -10.049 1.00 0.00 H new ATOM 0 HA SER B 81 9.275 -5.369 -9.796 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.071 -5.457 -12.011 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.701 -6.937 -11.314 1.00 0.00 H new ATOM 0 HG SER B 81 8.976 -6.629 -13.390 1.00 0.00 H new ATOM 1528 N GLY B 82 7.271 -4.706 -11.254 1.00 0.00 N ATOM 1529 CA GLY B 82 5.957 -4.281 -11.693 1.00 0.00 C ATOM 1530 C GLY B 82 5.586 -2.912 -11.160 1.00 0.00 C ATOM 1531 O GLY B 82 6.206 -2.416 -10.218 1.00 0.00 O ATOM 0 H GLY B 82 7.996 -3.993 -11.333 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.929 -4.264 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.214 -5.009 -11.366 1.00 0.00 H new ATOM 1535 N ASP B 83 4.575 -2.299 -11.769 1.00 0.00 N ATOM 1536 CA ASP B 83 4.117 -0.985 -11.355 1.00 0.00 C ATOM 1537 C ASP B 83 2.946 -1.096 -10.387 1.00 0.00 C ATOM 1538 O ASP B 83 1.905 -1.662 -10.718 1.00 0.00 O ATOM 1539 CB ASP B 83 3.706 -0.169 -12.578 1.00 0.00 C ATOM 1540 CG ASP B 83 2.813 -0.948 -13.522 1.00 0.00 C ATOM 1541 OD1 ASP B 83 1.577 -0.868 -13.370 1.00 0.00 O ATOM 1542 OD2 ASP B 83 3.350 -1.640 -14.411 1.00 0.00 O ATOM 0 H ASP B 83 4.058 -2.697 -12.553 1.00 0.00 H new ATOM 0 HA ASP B 83 4.937 -0.482 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.186 0.732 -12.252 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.600 0.154 -13.112 1.00 0.00 H new ATOM 1547 N ASP B 84 3.123 -0.551 -9.189 1.00 0.00 N ATOM 1548 CA ASP B 84 2.080 -0.590 -8.173 1.00 0.00 C ATOM 1549 C ASP B 84 2.060 0.700 -7.365 1.00 0.00 C ATOM 1550 O ASP B 84 2.868 1.602 -7.592 1.00 0.00 O ATOM 1551 CB ASP B 84 2.282 -1.787 -7.245 1.00 0.00 C ATOM 1552 CG ASP B 84 1.928 -3.099 -7.914 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.886 -3.687 -7.554 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.688 -3.537 -8.801 1.00 0.00 O ATOM 0 H ASP B 84 3.978 -0.077 -8.898 1.00 0.00 H new ATOM 0 HA ASP B 84 1.120 -0.694 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.321 -1.818 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.669 -1.660 -6.353 1.00 0.00 H new ATOM 1559 N ARG B 85 1.133 0.778 -6.421 1.00 0.00 N ATOM 1560 CA ARG B 85 0.995 1.953 -5.579 1.00 0.00 C ATOM 1561 C ARG B 85 0.269 1.604 -4.284 1.00 0.00 C ATOM 1562 O ARG B 85 -0.936 1.363 -4.287 1.00 0.00 O ATOM 1563 CB ARG B 85 0.231 3.040 -6.331 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.070 4.260 -5.484 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.841 5.308 -6.268 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.145 6.484 -5.457 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.821 7.536 -5.909 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.261 7.560 -7.159 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.059 8.566 -5.109 1.00 0.00 N ATOM 0 H ARG B 85 0.463 0.036 -6.220 1.00 0.00 H new ATOM 0 HA ARG B 85 1.990 2.321 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.811 3.346 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.706 2.625 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.647 3.962 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.863 4.690 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.260 5.609 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.769 4.873 -6.639 1.00 0.00 H new ATOM 0 HE ARG B 85 -0.821 6.499 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.081 6.770 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.779 8.369 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.723 8.552 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -2.578 9.373 -5.457 1.00 0.00 H new ATOM 1583 N LEU B 86 1.010 1.576 -3.182 1.00 0.00 N ATOM 1584 CA LEU B 86 0.429 1.256 -1.885 1.00 0.00 C ATOM 1585 C LEU B 86 -0.738 2.186 -1.576 1.00 0.00 C ATOM 1586 O LEU B 86 -0.749 3.343 -1.993 1.00 0.00 O ATOM 1587 CB LEU B 86 1.489 1.351 -0.787 1.00 0.00 C ATOM 1588 CG LEU B 86 0.997 1.027 0.624 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.472 -0.396 0.697 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.110 1.224 1.635 1.00 0.00 C ATOM 0 H LEU B 86 2.011 1.770 -3.161 1.00 0.00 H new ATOM 0 HA LEU B 86 0.055 0.233 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.306 0.673 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.900 2.360 -0.788 1.00 0.00 H new ATOM 0 HG LEU B 86 0.182 1.710 0.863 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.127 -0.605 1.710 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -0.357 -0.514 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU B 86 1.269 -1.092 0.434 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.741 0.989 2.633 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.943 0.565 1.392 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.447 2.260 1.608 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.720 1.673 -0.841 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.903 2.458 -0.496 1.00 0.00 C ATOM 1604 C GLU B 87 -3.458 2.081 0.876 1.00 0.00 C ATOM 1605 O GLU B 87 -3.703 0.910 1.162 1.00 0.00 O ATOM 1606 CB GLU B 87 -3.991 2.264 -1.555 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.563 2.661 -2.959 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.739 2.847 -3.897 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.296 3.963 -3.937 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.099 1.877 -4.596 1.00 0.00 O ATOM 0 H GLU B 87 -1.722 0.721 -0.474 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.599 3.504 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.296 1.217 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.866 2.849 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.991 3.587 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -2.899 1.896 -3.362 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.655 3.090 1.719 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.206 2.890 3.059 1.00 0.00 C ATOM 1619 C LEU B 88 -5.096 4.064 3.446 1.00 0.00 C ATOM 1620 O LEU B 88 -4.926 5.171 2.938 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.093 2.726 4.095 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.274 1.442 3.982 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.043 1.673 3.125 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.882 0.937 5.360 1.00 0.00 C ATOM 0 H LEU B 88 -3.440 4.062 1.497 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.800 1.976 3.042 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.416 3.576 4.013 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.537 2.767 5.090 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.888 0.680 3.502 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.470 0.748 3.054 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.348 1.988 2.127 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.425 2.449 3.577 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.299 0.021 5.260 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -1.285 1.694 5.868 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.781 0.733 5.942 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.046 3.822 4.344 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.955 4.870 4.794 1.00 0.00 C ATOM 1638 C VAL B 89 -7.236 4.749 6.290 1.00 0.00 C ATOM 1639 O VAL B 89 -6.908 3.739 6.913 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.289 4.839 4.025 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.050 4.972 2.529 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.062 3.569 4.339 1.00 0.00 C ATOM 0 H VAL B 89 -6.206 2.911 4.774 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.459 5.820 4.594 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.890 5.689 4.349 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.005 4.948 2.004 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.547 5.917 2.323 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.426 4.147 2.185 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.001 3.568 3.785 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.469 2.701 4.050 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.271 3.525 5.408 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.852 5.783 6.857 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.172 5.800 8.280 1.00 0.00 C ATOM 1654 C TYR B 90 -9.679 5.755 8.505 1.00 0.00 C ATOM 1655 O TYR B 90 -10.326 6.790 8.667 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.582 7.054 8.928 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.781 7.139 10.424 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.355 8.263 11.001 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.391 6.102 11.259 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.535 8.353 12.368 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.570 6.182 12.627 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.140 7.309 13.176 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.318 7.393 14.538 1.00 0.00 O ATOM 0 H TYR B 90 -8.140 6.621 6.351 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.735 4.914 8.740 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.514 7.090 8.714 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.030 7.933 8.464 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.667 9.082 10.370 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.940 5.218 10.833 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -8.982 9.236 12.800 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.264 5.364 13.263 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.988 6.574 14.962 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.235 4.549 8.509 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.667 4.367 8.712 1.00 0.00 C ATOM 1675 C ARG B 91 -11.943 3.093 9.502 1.00 0.00 C ATOM 1676 O ARG B 91 -11.047 2.274 9.708 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.391 4.310 7.365 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.056 3.076 6.548 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.796 3.068 5.223 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.354 4.143 4.339 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.782 4.293 3.089 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.668 3.445 2.584 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.327 5.289 2.343 1.00 0.00 N ATOM 0 H ARG B 91 -9.715 3.682 8.374 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.040 5.218 9.282 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.467 4.340 7.538 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.136 5.198 6.787 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.982 3.039 6.366 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.314 2.182 7.115 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -12.644 2.108 4.729 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.866 3.167 5.406 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.679 4.817 4.701 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.022 2.677 3.155 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -13.996 3.561 1.625 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.646 5.944 2.727 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.658 5.401 1.385 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.186 2.929 9.942 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.574 1.749 10.706 1.00 0.00 C ATOM 1699 C ARG B 92 -13.493 0.500 9.824 1.00 0.00 C ATOM 1700 O ARG B 92 -13.859 0.539 8.650 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.979 1.935 11.278 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.107 3.189 12.128 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.529 3.402 12.614 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.652 4.603 13.434 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.613 4.785 14.337 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.523 3.844 14.540 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.657 5.907 15.040 1.00 0.00 N ATOM 0 H ARG B 92 -13.941 3.597 9.783 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.884 1.617 11.540 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.697 1.982 10.459 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.239 1.065 11.881 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.438 3.116 12.985 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.788 4.055 11.548 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.198 3.478 11.757 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.849 2.534 13.191 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.963 5.344 13.308 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.489 2.977 14.004 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.258 3.986 15.233 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.955 6.631 14.889 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.393 6.047 15.732 1.00 0.00 H new ATOM 1721 N PRO B 93 -13.010 -0.625 10.382 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.838 -1.876 9.641 1.00 0.00 C ATOM 1723 C PRO B 93 -14.114 -2.695 9.454 1.00 0.00 C ATOM 1724 O PRO B 93 -14.038 -3.894 9.191 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.836 -2.670 10.495 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.493 -1.797 11.662 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.585 -0.781 11.773 1.00 0.00 C ATOM 0 HA PRO B 93 -12.512 -1.661 8.623 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.271 -3.612 10.829 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.944 -2.917 9.919 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.417 -2.385 12.576 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.528 -1.313 11.513 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.399 -1.127 12.410 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -12.226 0.157 12.196 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.283 -2.074 9.581 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.526 -2.799 9.398 1.00 0.00 C ATOM 1737 C TRP B 94 -17.401 -2.081 8.379 1.00 0.00 C ATOM 1738 O TRP B 94 -18.395 -2.624 7.900 1.00 0.00 O ATOM 1739 CB TRP B 94 -17.256 -2.950 10.733 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.469 -1.651 11.438 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.803 -1.177 12.531 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -18.419 -0.654 11.085 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.292 0.061 12.874 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -18.288 0.400 11.999 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -19.368 -0.564 10.081 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -19.080 1.540 11.930 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -20.150 0.564 10.007 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -20.004 1.604 10.928 1.00 0.00 C ATOM 0 H TRP B 94 -15.391 -1.085 9.807 1.00 0.00 H new ATOM 0 HA TRP B 94 -16.303 -3.797 9.020 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -18.222 -3.424 10.560 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.685 -3.617 11.379 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -16.010 -1.697 13.049 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -16.966 0.633 13.653 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -19.492 -1.366 9.368 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -18.968 2.344 12.642 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -20.889 0.648 9.224 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -20.635 2.476 10.845 1.00 0.00 H new ATOM 1759 N GLU B 95 -17.009 -0.852 8.055 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.741 -0.032 7.097 1.00 0.00 C ATOM 1761 C GLU B 95 -17.522 -0.528 5.673 1.00 0.00 C ATOM 1762 O GLU B 95 -18.467 -0.633 4.892 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.294 1.427 7.211 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.376 1.982 8.619 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.860 3.403 8.717 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -17.687 4.330 8.828 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -15.626 3.591 8.681 1.00 0.00 O ATOM 0 H GLU B 95 -16.182 -0.400 8.446 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.804 -0.106 7.327 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.267 1.512 6.856 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.910 2.039 6.552 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.412 1.951 8.958 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.802 1.344 9.291 1.00 0.00 H new ATOM 1774 N LYS B 96 -16.265 -0.819 5.343 1.00 0.00 N ATOM 1775 CA LYS B 96 -15.897 -1.304 4.014 1.00 0.00 C ATOM 1776 C LYS B 96 -16.061 -0.215 2.956 1.00 0.00 C ATOM 1777 O LYS B 96 -15.626 -0.377 1.816 1.00 0.00 O ATOM 1778 CB LYS B 96 -16.726 -2.530 3.637 1.00 0.00 C ATOM 1779 CG LYS B 96 -16.549 -3.695 4.594 1.00 0.00 C ATOM 1780 CD LYS B 96 -16.927 -5.008 3.938 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.787 -6.176 4.902 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.393 -6.321 5.398 1.00 0.00 N ATOM 0 H LYS B 96 -15.478 -0.726 5.985 1.00 0.00 H new ATOM 0 HA LYS B 96 -14.845 -1.586 4.050 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -17.779 -2.252 3.606 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -16.451 -2.850 2.632 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -15.513 -3.739 4.930 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.165 -3.538 5.480 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.955 -4.953 3.579 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.293 -5.176 3.067 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.460 -6.032 5.747 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.093 -7.096 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.286 -7.242 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -14.732 -6.263 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.184 -5.560 6.075 1.00 0.00 H new ATOM 1796 N ASP B 97 -16.685 0.897 3.340 1.00 0.00 N ATOM 1797 CA ASP B 97 -16.906 2.011 2.424 1.00 0.00 C ATOM 1798 C ASP B 97 -17.571 3.180 3.142 1.00 0.00 C ATOM 1799 O ASP B 97 -18.794 3.227 3.272 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.771 1.569 1.242 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.028 2.695 0.260 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -19.034 3.413 0.430 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -17.222 2.859 -0.680 1.00 0.00 O ATOM 0 H ASP B 97 -17.047 1.049 4.281 1.00 0.00 H new ATOM 0 HA ASP B 97 -15.935 2.337 2.051 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.280 0.745 0.725 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.723 1.191 1.614 1.00 0.00 H new ATOM 1808 N ALA B 98 -16.757 4.119 3.616 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.269 5.287 4.318 1.00 0.00 C ATOM 1810 C ALA B 98 -16.313 6.469 4.192 1.00 0.00 C ATOM 1811 O ALA B 98 -15.314 6.398 3.475 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.507 4.956 5.783 1.00 0.00 C ATOM 0 H ALA B 98 -15.741 4.092 3.526 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.216 5.570 3.859 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.890 5.837 6.298 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.233 4.147 5.860 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.569 4.646 6.243 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.628 7.553 4.891 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.800 8.753 4.860 1.00 0.00 C ATOM 1820 C GLU B 99 -14.778 8.736 5.996 1.00 0.00 C ATOM 1821 O GLU B 99 -15.143 8.880 7.162 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.675 10.002 4.966 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.678 10.141 3.833 1.00 0.00 C ATOM 1824 CD GLU B 99 -17.016 10.234 2.475 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -16.797 9.176 1.848 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -16.716 11.364 2.034 1.00 0.00 O ATOM 0 H GLU B 99 -17.452 7.626 5.487 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.264 8.772 3.911 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.212 9.980 5.914 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.034 10.884 4.983 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.354 9.286 3.845 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.286 11.031 3.998 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.483 8.556 5.672 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.419 8.517 6.666 1.00 0.00 C ATOM 1835 C PRO B 100 -11.924 9.910 7.038 1.00 0.00 C ATOM 1836 O PRO B 100 -12.336 10.906 6.444 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.300 7.726 5.973 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.740 7.509 4.554 1.00 0.00 C ATOM 1839 CD PRO B 100 -12.948 8.372 4.323 1.00 0.00 C ATOM 0 HA PRO B 100 -12.758 8.070 7.601 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.359 8.276 6.007 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.131 6.774 6.476 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -10.942 7.772 3.860 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.979 6.460 4.382 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.682 9.323 3.861 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.670 7.888 3.665 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.037 9.971 8.026 1.00 0.00 N ATOM 1848 CA ALA B 101 -10.480 11.239 8.477 1.00 0.00 C ATOM 1849 C ALA B 101 -9.110 11.478 7.858 1.00 0.00 C ATOM 1850 O ALA B 101 -8.757 12.604 7.509 1.00 0.00 O ATOM 1851 CB ALA B 101 -10.393 11.270 9.994 1.00 0.00 C ATOM 0 H ALA B 101 -10.689 9.155 8.530 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.144 12.040 8.151 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -9.975 12.224 10.315 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -11.390 11.150 10.418 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -9.752 10.459 10.338 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.342 10.406 7.726 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.008 10.478 7.144 1.00 0.00 C ATOM 1859 C GLU B 102 -6.942 9.677 5.853 1.00 0.00 C ATOM 1860 O GLU B 102 -7.964 9.225 5.335 1.00 0.00 O ATOM 1861 CB GLU B 102 -5.961 9.954 8.127 1.00 0.00 C ATOM 1862 CG GLU B 102 -5.459 11.002 9.098 1.00 0.00 C ATOM 1863 CD GLU B 102 -4.495 10.437 10.120 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.958 9.992 11.192 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.276 10.439 9.850 1.00 0.00 O ATOM 0 H GLU B 102 -8.622 9.469 8.016 1.00 0.00 H new ATOM 0 HA GLU B 102 -6.795 11.524 6.924 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.388 9.124 8.690 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.115 9.557 7.566 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -4.967 11.800 8.542 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.308 11.450 9.614 1.00 0.00 H new ATOM 1872 N SER B 103 -5.731 9.506 5.339 1.00 0.00 N ATOM 1873 CA SER B 103 -5.521 8.754 4.109 1.00 0.00 C ATOM 1874 C SER B 103 -4.038 8.508 3.873 1.00 0.00 C ATOM 1875 O SER B 103 -3.187 9.183 4.450 1.00 0.00 O ATOM 1876 CB SER B 103 -6.124 9.497 2.917 1.00 0.00 C ATOM 1877 OG SER B 103 -5.526 10.771 2.752 1.00 0.00 O ATOM 0 H SER B 103 -4.878 9.879 5.756 1.00 0.00 H new ATOM 0 HA SER B 103 -6.021 7.791 4.213 1.00 0.00 H new ATOM 0 HB2 SER B 103 -5.987 8.908 2.010 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.198 9.612 3.062 1.00 0.00 H new ATOM 0 HG SER B 103 -5.929 11.224 1.982 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.734 7.538 3.019 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.350 7.200 2.711 1.00 0.00 C ATOM 1885 C PHE B 104 -2.238 6.567 1.326 1.00 0.00 C ATOM 1886 O PHE B 104 -3.150 5.875 0.877 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.798 6.247 3.771 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.329 6.411 4.027 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.156 7.556 4.632 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.564 5.417 3.668 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.506 7.709 4.874 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.915 5.563 3.908 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.388 6.711 4.511 1.00 0.00 C ATOM 0 H PHE B 104 -4.426 6.972 2.528 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.763 8.119 2.714 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.340 6.403 4.704 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.990 5.221 3.459 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.530 8.340 4.918 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.200 4.517 3.195 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.872 8.608 5.347 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.602 4.779 3.624 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.445 6.828 4.698 1.00 0.00 H new ATOM 1903 N SER B 105 -1.115 6.811 0.656 1.00 0.00 N ATOM 1904 CA SER B 105 -0.881 6.265 -0.678 1.00 0.00 C ATOM 1905 C SER B 105 0.568 6.480 -1.105 1.00 0.00 C ATOM 1906 O SER B 105 1.025 7.616 -1.231 1.00 0.00 O ATOM 1907 CB SER B 105 -1.825 6.913 -1.691 1.00 0.00 C ATOM 1908 OG SER B 105 -1.621 8.314 -1.755 1.00 0.00 O ATOM 0 H SER B 105 -0.352 7.384 1.016 1.00 0.00 H new ATOM 0 HA SER B 105 -1.077 5.193 -0.645 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.664 6.474 -2.675 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.859 6.705 -1.414 1.00 0.00 H new ATOM 0 HG SER B 105 -0.681 8.517 -1.566 1.00 0.00 H new ATOM 1914 N CYS B 106 1.284 5.383 -1.330 1.00 0.00 N ATOM 1915 CA CYS B 106 2.685 5.457 -1.738 1.00 0.00 C ATOM 1916 C CYS B 106 2.888 4.913 -3.151 1.00 0.00 C ATOM 1917 O CYS B 106 2.245 3.946 -3.553 1.00 0.00 O ATOM 1918 CB CYS B 106 3.564 4.677 -0.760 1.00 0.00 C ATOM 1919 SG CYS B 106 3.359 5.156 0.987 1.00 0.00 S ATOM 0 H CYS B 106 0.920 4.435 -1.237 1.00 0.00 H new ATOM 0 HA CYS B 106 2.973 6.508 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.343 3.614 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.608 4.814 -1.041 1.00 0.00 H new ATOM 1924 N ALA B 107 3.796 5.543 -3.896 1.00 0.00 N ATOM 1925 CA ALA B 107 4.101 5.125 -5.261 1.00 0.00 C ATOM 1926 C ALA B 107 5.275 4.153 -5.273 1.00 0.00 C ATOM 1927 O ALA B 107 6.317 4.428 -4.682 1.00 0.00 O ATOM 1928 CB ALA B 107 4.411 6.336 -6.128 1.00 0.00 C ATOM 0 H ALA B 107 4.334 6.348 -3.574 1.00 0.00 H new ATOM 0 HA ALA B 107 3.227 4.617 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.637 6.009 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.548 7.002 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.271 6.866 -5.718 1.00 0.00 H new ATOM 1934 N ILE B 108 5.112 3.018 -5.953 1.00 0.00 N ATOM 1935 CA ILE B 108 6.172 2.012 -6.014 1.00 0.00 C ATOM 1936 C ILE B 108 6.152 1.231 -7.327 1.00 0.00 C ATOM 1937 O ILE B 108 5.276 0.396 -7.546 1.00 0.00 O ATOM 1938 CB ILE B 108 6.054 0.998 -4.856 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.970 1.719 -3.508 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.235 0.038 -4.879 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.795 0.787 -2.327 1.00 0.00 C ATOM 0 H ILE B 108 4.264 2.774 -6.465 1.00 0.00 H new ATOM 0 HA ILE B 108 7.108 2.564 -5.936 1.00 0.00 H new ATOM 0 HB ILE B 108 5.136 0.426 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.876 2.307 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.136 2.420 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE B 108 7.142 -0.673 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.247 -0.501 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.163 0.600 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.744 1.370 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.874 0.217 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.641 0.102 -2.275 1.00 0.00 H new ATOM 1953 N GLN B 109 7.123 1.504 -8.197 1.00 0.00 N ATOM 1954 CA GLN B 109 7.232 0.794 -9.469 1.00 0.00 C ATOM 1955 C GLN B 109 8.621 0.176 -9.615 1.00 0.00 C ATOM 1956 O GLN B 109 9.562 0.842 -10.034 1.00 0.00 O ATOM 1957 CB GLN B 109 6.957 1.736 -10.641 1.00 0.00 C ATOM 1958 CG GLN B 109 6.987 1.046 -11.993 1.00 0.00 C ATOM 1959 CD GLN B 109 6.724 2.001 -13.140 1.00 0.00 C ATOM 1960 OE1 GLN B 109 5.581 2.210 -13.541 1.00 0.00 O ATOM 1961 NE2 GLN B 109 7.789 2.588 -13.676 1.00 0.00 N ATOM 0 H GLN B 109 7.843 2.210 -8.044 1.00 0.00 H new ATOM 0 HA GLN B 109 6.486 -0.001 -9.479 1.00 0.00 H new ATOM 0 HB2 GLN B 109 5.981 2.202 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.696 2.537 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.959 0.573 -12.134 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.241 0.251 -12.008 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.720 2.386 -13.312 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.675 3.241 -14.451 1.00 0.00 H new ATOM 1970 N VAL B 110 8.743 -1.104 -9.278 1.00 0.00 N ATOM 1971 CA VAL B 110 10.030 -1.788 -9.359 1.00 0.00 C ATOM 1972 C VAL B 110 10.579 -1.781 -10.787 1.00 0.00 C ATOM 1973 O VAL B 110 11.229 -0.821 -11.201 1.00 0.00 O ATOM 1974 CB VAL B 110 9.938 -3.234 -8.833 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.307 -3.896 -8.839 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.340 -3.251 -7.436 1.00 0.00 C ATOM 0 H VAL B 110 7.973 -1.686 -8.948 1.00 0.00 H new ATOM 0 HA VAL B 110 10.721 -1.236 -8.722 1.00 0.00 H new ATOM 0 HB VAL B 110 9.284 -3.801 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.220 -4.916 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.697 -3.916 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.987 -3.332 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.281 -4.279 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.969 -2.668 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.340 -2.819 -7.463 1.00 0.00 H new ATOM 1986 N ARG B 111 10.323 -2.850 -11.534 1.00 0.00 N ATOM 1987 CA ARG B 111 10.796 -2.947 -12.909 1.00 0.00 C ATOM 1988 C ARG B 111 9.667 -3.368 -13.846 1.00 0.00 C ATOM 1989 O ARG B 111 8.960 -2.476 -14.355 1.00 0.00 O ATOM 1990 CB ARG B 111 11.953 -3.937 -13.003 1.00 0.00 C ATOM 1991 CG ARG B 111 13.198 -3.482 -12.281 1.00 0.00 C ATOM 1992 CD ARG B 111 13.807 -2.288 -12.975 1.00 0.00 C ATOM 1993 NE ARG B 111 14.979 -1.777 -12.272 1.00 0.00 N ATOM 1994 CZ ARG B 111 15.703 -0.746 -12.697 1.00 0.00 C ATOM 1995 NH1 ARG B 111 15.376 -0.120 -13.820 1.00 0.00 N ATOM 1996 NH2 ARG B 111 16.754 -0.341 -12.002 1.00 0.00 N ATOM 1997 OXT ARG B 111 9.506 -4.586 -14.066 1.00 0.00 O ATOM 0 H ARG B 111 9.792 -3.659 -11.211 1.00 0.00 H new ATOM 0 HA ARG B 111 11.147 -1.962 -13.217 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.635 -4.895 -12.592 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.193 -4.104 -14.053 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.954 -3.225 -11.250 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.922 -4.296 -12.244 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.088 -2.565 -13.991 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.061 -1.497 -13.055 1.00 0.00 H new ATOM 0 HE ARG B 111 15.259 -2.237 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG B 111 14.568 -0.429 -14.360 1.00 0.00 H new ATOM 0 HH12 ARG B 111 15.933 0.671 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG B 111 17.010 -0.820 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG B 111 17.308 0.450 -12.330 1.00 0.00 H new