USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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+ -166:sc= -0.0499 (180deg=-0.277) USER MOD Single : B 19 THR OG1 : rot -26:sc= 0.362 USER MOD Single : B 20 GLN :FLIP amide:sc= -0.904 F(o=-3.1!,f=-0.9) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.0868 F(o=-1.2,f=-0.087) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -170:sc= -0.147 USER MOD Single : B 31 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -71:sc= 1.13 USER MOD Single : B 42 ASN : amide:sc=0.000241 X(o=0.00024,f=-0.44) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -163:sc= -5.01! (180deg=-7!) USER MOD Single : B 72 SER OG : rot -98:sc= 0.0839 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 130:sc= -0.43 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= -0.476 X(o=-0.48,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 12.533 0.877 3.244 1.00 0.00 N ATOM 382 CA VAL B 5 12.198 -0.024 4.343 1.00 0.00 C ATOM 383 C VAL B 5 11.550 0.732 5.490 1.00 0.00 C ATOM 384 O VAL B 5 10.640 0.236 6.152 1.00 0.00 O ATOM 385 CB VAL B 5 13.433 -0.783 4.859 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.112 -1.520 6.146 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.949 -1.746 3.800 1.00 0.00 C ATOM 0 HA VAL B 5 11.489 -0.752 3.948 1.00 0.00 H new ATOM 0 HB VAL B 5 14.217 -0.057 5.072 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.999 -2.050 6.493 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.796 -0.805 6.906 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.310 -2.235 5.965 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.823 -2.274 4.183 1.00 0.00 H new ATOM 0 HG22 VAL B 5 13.169 -2.466 3.552 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.225 -1.189 2.905 1.00 0.00 H new ATOM 397 N THR B 6 12.042 1.928 5.716 1.00 0.00 N ATOM 398 CA THR B 6 11.523 2.794 6.765 1.00 0.00 C ATOM 399 C THR B 6 10.713 3.940 6.166 1.00 0.00 C ATOM 400 O THR B 6 11.034 4.440 5.088 1.00 0.00 O ATOM 401 CB THR B 6 12.661 3.378 7.617 1.00 0.00 C ATOM 402 OG1 THR B 6 13.903 2.745 7.281 1.00 0.00 O ATOM 403 CG2 THR B 6 12.376 3.181 9.096 1.00 0.00 C ATOM 0 H THR B 6 12.811 2.333 5.183 1.00 0.00 H new ATOM 0 HA THR B 6 10.880 2.185 7.400 1.00 0.00 H new ATOM 0 HB THR B 6 12.731 4.446 7.409 1.00 0.00 H new ATOM 0 HG1 THR B 6 14.622 3.125 7.828 1.00 0.00 H new ATOM 0 HG21 THR B 6 13.193 3.601 9.683 1.00 0.00 H new ATOM 0 HG22 THR B 6 11.445 3.684 9.357 1.00 0.00 H new ATOM 0 HG23 THR B 6 12.285 2.116 9.310 1.00 0.00 H new ATOM 411 N LEU B 7 9.662 4.351 6.868 1.00 0.00 N ATOM 412 CA LEU B 7 8.807 5.437 6.397 1.00 0.00 C ATOM 413 C LEU B 7 7.877 5.924 7.505 1.00 0.00 C ATOM 414 O LEU B 7 7.533 5.170 8.416 1.00 0.00 O ATOM 415 CB LEU B 7 7.984 4.973 5.191 1.00 0.00 C ATOM 416 CG LEU B 7 7.082 6.040 4.564 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.894 7.261 4.153 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.337 5.469 3.366 1.00 0.00 C ATOM 0 H LEU B 7 9.382 3.950 7.763 1.00 0.00 H new ATOM 0 HA LEU B 7 9.447 6.267 6.099 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.667 4.604 4.426 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.364 4.131 5.498 1.00 0.00 H new ATOM 0 HG LEU B 7 6.352 6.352 5.311 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.233 8.006 3.710 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.382 7.685 5.030 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.649 6.967 3.424 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.700 6.240 2.932 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.055 5.129 2.620 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.721 4.629 3.687 1.00 0.00 H new ATOM 430 N ASP B 8 7.477 7.189 7.420 1.00 0.00 N ATOM 431 CA ASP B 8 6.588 7.780 8.412 1.00 0.00 C ATOM 432 C ASP B 8 5.941 9.056 7.879 1.00 0.00 C ATOM 433 O ASP B 8 5.367 9.836 8.639 1.00 0.00 O ATOM 434 CB ASP B 8 7.358 8.085 9.700 1.00 0.00 C ATOM 435 CG ASP B 8 8.511 9.043 9.470 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.289 10.269 9.558 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.634 8.566 9.204 1.00 0.00 O ATOM 0 H ASP B 8 7.756 7.825 6.673 1.00 0.00 H new ATOM 0 HA ASP B 8 5.799 7.059 8.628 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.676 8.511 10.436 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.740 7.155 10.121 1.00 0.00 H new ATOM 442 N ASP B 9 6.032 9.262 6.568 1.00 0.00 N ATOM 443 CA ASP B 9 5.456 10.444 5.939 1.00 0.00 C ATOM 444 C ASP B 9 4.794 10.084 4.609 1.00 0.00 C ATOM 445 O ASP B 9 5.097 9.049 4.015 1.00 0.00 O ATOM 446 CB ASP B 9 6.536 11.505 5.718 1.00 0.00 C ATOM 447 CG ASP B 9 5.964 12.820 5.226 1.00 0.00 C ATOM 448 OD1 ASP B 9 5.428 13.582 6.057 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.058 13.088 4.010 1.00 0.00 O ATOM 0 H ASP B 9 6.499 8.626 5.922 1.00 0.00 H new ATOM 0 HA ASP B 9 4.693 10.847 6.605 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.073 11.672 6.652 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.262 11.135 4.994 1.00 0.00 H new ATOM 454 N ALA B 10 3.891 10.945 4.150 1.00 0.00 N ATOM 455 CA ALA B 10 3.183 10.717 2.895 1.00 0.00 C ATOM 456 C ALA B 10 3.771 11.556 1.764 1.00 0.00 C ATOM 457 O ALA B 10 3.811 11.121 0.613 1.00 0.00 O ATOM 458 CB ALA B 10 1.703 11.022 3.062 1.00 0.00 C ATOM 0 H ALA B 10 3.632 11.808 4.629 1.00 0.00 H new ATOM 0 HA ALA B 10 3.302 9.667 2.630 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.187 10.848 2.118 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.282 10.374 3.831 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.577 12.064 3.357 1.00 0.00 H new ATOM 464 N ASP B 11 4.223 12.759 2.098 1.00 0.00 N ATOM 465 CA ASP B 11 4.805 13.660 1.110 1.00 0.00 C ATOM 466 C ASP B 11 6.085 13.075 0.518 1.00 0.00 C ATOM 467 O ASP B 11 6.452 13.382 -0.616 1.00 0.00 O ATOM 468 CB ASP B 11 5.101 15.019 1.743 1.00 0.00 C ATOM 469 CG ASP B 11 5.671 16.010 0.747 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.910 16.069 0.612 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.876 16.729 0.106 1.00 0.00 O ATOM 0 H ASP B 11 4.198 13.134 3.046 1.00 0.00 H new ATOM 0 HA ASP B 11 4.081 13.788 0.305 1.00 0.00 H new ATOM 0 HB2 ASP B 11 4.184 15.425 2.171 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.805 14.888 2.565 1.00 0.00 H new ATOM 476 N ASP B 12 6.759 12.232 1.294 1.00 0.00 N ATOM 477 CA ASP B 12 8.000 11.607 0.846 1.00 0.00 C ATOM 478 C ASP B 12 7.717 10.372 -0.004 1.00 0.00 C ATOM 479 O ASP B 12 8.624 9.600 -0.312 1.00 0.00 O ATOM 480 CB ASP B 12 8.868 11.227 2.047 1.00 0.00 C ATOM 481 CG ASP B 12 9.351 12.438 2.818 1.00 0.00 C ATOM 482 OD1 ASP B 12 10.374 13.030 2.414 1.00 0.00 O ATOM 483 OD2 ASP B 12 8.709 12.794 3.829 1.00 0.00 O ATOM 0 H ASP B 12 6.468 11.966 2.235 1.00 0.00 H new ATOM 0 HA ASP B 12 8.537 12.330 0.232 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.298 10.579 2.713 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.728 10.652 1.703 1.00 0.00 H new ATOM 488 N CYS B 13 6.455 10.194 -0.382 1.00 0.00 N ATOM 489 CA CYS B 13 6.059 9.053 -1.198 1.00 0.00 C ATOM 490 C CYS B 13 6.009 9.428 -2.675 1.00 0.00 C ATOM 491 O CYS B 13 5.478 10.475 -3.044 1.00 0.00 O ATOM 492 CB CYS B 13 4.699 8.520 -0.743 1.00 0.00 C ATOM 493 SG CYS B 13 4.691 7.861 0.955 1.00 0.00 S ATOM 0 H CYS B 13 5.691 10.824 -0.137 1.00 0.00 H new ATOM 0 HA CYS B 13 6.807 8.270 -1.070 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.964 9.322 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.381 7.734 -1.428 1.00 0.00 H new ATOM 498 N SER B 14 6.568 8.560 -3.511 1.00 0.00 N ATOM 499 CA SER B 14 6.600 8.786 -4.951 1.00 0.00 C ATOM 500 C SER B 14 6.941 7.498 -5.691 1.00 0.00 C ATOM 501 O SER B 14 7.473 6.563 -5.094 1.00 0.00 O ATOM 502 CB SER B 14 7.632 9.863 -5.291 1.00 0.00 C ATOM 503 OG SER B 14 8.813 9.694 -4.527 1.00 0.00 O ATOM 0 H SER B 14 7.007 7.689 -3.214 1.00 0.00 H new ATOM 0 HA SER B 14 5.612 9.120 -5.267 1.00 0.00 H new ATOM 0 HB2 SER B 14 7.872 9.819 -6.353 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.209 10.850 -5.101 1.00 0.00 H new ATOM 0 HG SER B 14 9.458 10.393 -4.763 1.00 0.00 H new ATOM 509 N PRO B 15 6.636 7.424 -7.004 1.00 0.00 N ATOM 510 CA PRO B 15 6.934 6.237 -7.811 1.00 0.00 C ATOM 511 C PRO B 15 8.433 6.016 -7.950 1.00 0.00 C ATOM 512 O PRO B 15 9.023 6.290 -8.996 1.00 0.00 O ATOM 513 CB PRO B 15 6.313 6.550 -9.169 1.00 0.00 C ATOM 514 CG PRO B 15 6.214 8.037 -9.216 1.00 0.00 C ATOM 515 CD PRO B 15 5.981 8.480 -7.798 1.00 0.00 C ATOM 0 HA PRO B 15 6.541 5.326 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO B 15 6.931 6.170 -9.982 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.332 6.086 -9.271 1.00 0.00 H new ATOM 0 HG2 PRO B 15 7.127 8.477 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.396 8.354 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.419 9.459 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO B 15 4.918 8.555 -7.569 1.00 0.00 H new ATOM 523 N LEU B 16 9.037 5.526 -6.881 1.00 0.00 N ATOM 524 CA LEU B 16 10.465 5.272 -6.846 1.00 0.00 C ATOM 525 C LEU B 16 10.795 3.857 -7.302 1.00 0.00 C ATOM 526 O LEU B 16 10.004 2.935 -7.117 1.00 0.00 O ATOM 527 CB LEU B 16 10.986 5.491 -5.425 1.00 0.00 C ATOM 528 CG LEU B 16 12.462 5.165 -5.231 1.00 0.00 C ATOM 529 CD1 LEU B 16 13.305 6.020 -6.162 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.871 5.378 -3.782 1.00 0.00 C ATOM 0 H LEU B 16 8.551 5.294 -6.015 1.00 0.00 H new ATOM 0 HA LEU B 16 10.950 5.965 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.818 6.532 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.400 4.880 -4.739 1.00 0.00 H new ATOM 0 HG LEU B 16 12.628 4.116 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU B 16 14.359 5.783 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.024 5.818 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU B 16 13.137 7.074 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.928 5.140 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU B 16 12.700 6.418 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.279 4.729 -3.137 1.00 0.00 H new ATOM 542 N LYS B 17 11.974 3.696 -7.897 1.00 0.00 N ATOM 543 CA LYS B 17 12.423 2.395 -8.368 1.00 0.00 C ATOM 544 C LYS B 17 13.042 1.602 -7.225 1.00 0.00 C ATOM 545 O LYS B 17 13.835 2.131 -6.446 1.00 0.00 O ATOM 546 CB LYS B 17 13.435 2.564 -9.497 1.00 0.00 C ATOM 547 CG LYS B 17 12.853 3.243 -10.722 1.00 0.00 C ATOM 548 CD LYS B 17 13.931 3.928 -11.545 1.00 0.00 C ATOM 549 CE LYS B 17 13.353 4.584 -12.789 1.00 0.00 C ATOM 550 NZ LYS B 17 12.701 3.593 -13.689 1.00 0.00 N ATOM 0 H LYS B 17 12.635 4.455 -8.063 1.00 0.00 H new ATOM 0 HA LYS B 17 11.561 1.846 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.281 3.147 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.821 1.585 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.338 2.506 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.108 3.977 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS B 17 14.432 4.680 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.687 3.198 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.626 5.341 -12.495 1.00 0.00 H new ATOM 0 HE3 LYS B 17 14.147 5.098 -13.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 12.533 4.027 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 13.320 2.765 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 11.794 3.294 -13.277 1.00 0.00 H new ATOM 564 N LEU B 18 12.674 0.333 -7.130 1.00 0.00 N ATOM 565 CA LEU B 18 13.181 -0.533 -6.074 1.00 0.00 C ATOM 566 C LEU B 18 13.876 -1.763 -6.646 1.00 0.00 C ATOM 567 O LEU B 18 14.198 -1.813 -7.834 1.00 0.00 O ATOM 568 CB LEU B 18 12.045 -0.962 -5.155 1.00 0.00 C ATOM 569 CG LEU B 18 12.128 -0.413 -3.736 1.00 0.00 C ATOM 570 CD1 LEU B 18 13.474 -0.749 -3.102 1.00 0.00 C ATOM 571 CD2 LEU B 18 11.888 1.089 -3.725 1.00 0.00 C ATOM 0 H LEU B 18 12.025 -0.121 -7.772 1.00 0.00 H new ATOM 0 HA LEU B 18 13.915 0.035 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.100 -0.646 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.026 -2.051 -5.108 1.00 0.00 H new ATOM 0 HG LEU B 18 11.346 -0.888 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU B 18 13.510 -0.347 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU B 18 13.600 -1.831 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU B 18 14.276 -0.309 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU B 18 11.952 1.460 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU B 18 12.642 1.582 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.898 1.302 -4.127 1.00 0.00 H new ATOM 583 N THR B 19 14.099 -2.754 -5.789 1.00 0.00 N ATOM 584 CA THR B 19 14.753 -3.988 -6.192 1.00 0.00 C ATOM 585 C THR B 19 14.452 -5.101 -5.197 1.00 0.00 C ATOM 586 O THR B 19 14.282 -4.853 -4.002 1.00 0.00 O ATOM 587 CB THR B 19 16.279 -3.818 -6.301 1.00 0.00 C ATOM 588 OG1 THR B 19 16.592 -2.642 -7.056 1.00 0.00 O ATOM 589 CG2 THR B 19 16.914 -5.031 -6.965 1.00 0.00 C ATOM 0 H THR B 19 13.833 -2.723 -4.805 1.00 0.00 H new ATOM 0 HA THR B 19 14.360 -4.249 -7.175 1.00 0.00 H new ATOM 0 HB THR B 19 16.681 -3.720 -5.292 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.851 -2.436 -7.664 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.992 -4.887 -7.031 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.702 -5.922 -6.374 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.503 -5.154 -7.967 1.00 0.00 H new ATOM 597 N GLN B 20 14.387 -6.324 -5.699 1.00 0.00 N ATOM 598 CA GLN B 20 14.107 -7.486 -4.864 1.00 0.00 C ATOM 599 C GLN B 20 15.175 -7.650 -3.786 1.00 0.00 C ATOM 600 O GLN B 20 16.325 -7.968 -4.084 1.00 0.00 O ATOM 601 CB GLN B 20 14.032 -8.750 -5.721 1.00 0.00 C ATOM 602 CG GLN B 20 12.927 -8.714 -6.765 1.00 0.00 C ATOM 603 CD GLN B 20 12.955 -9.917 -7.686 1.00 0.00 C ATOM 604 OE1 GLN B 20 11.788 -10.308 -8.186 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.014 -10.488 -7.948 1.00 0.00 N flip ATOM 0 H GLN B 20 14.525 -6.540 -6.686 1.00 0.00 H new ATOM 0 HA GLN B 20 13.145 -7.329 -4.377 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.989 -8.896 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.878 -9.611 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.960 -8.667 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.023 -7.805 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.888 -10.154 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.017 -11.295 -8.572 1.00 0.00 H new ATOM 614 N GLY B 21 14.785 -7.426 -2.536 1.00 0.00 N ATOM 615 CA GLY B 21 15.722 -7.556 -1.435 1.00 0.00 C ATOM 616 C GLY B 21 15.513 -6.501 -0.366 1.00 0.00 C ATOM 617 O GLY B 21 16.133 -6.555 0.697 1.00 0.00 O ATOM 0 H GLY B 21 13.839 -7.157 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.619 -8.545 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.740 -7.484 -1.818 1.00 0.00 H new ATOM 621 N GLN B 22 14.639 -5.537 -0.646 1.00 0.00 N ATOM 622 CA GLN B 22 14.354 -4.471 0.298 1.00 0.00 C ATOM 623 C GLN B 22 12.992 -4.688 0.943 1.00 0.00 C ATOM 624 O GLN B 22 12.373 -5.737 0.771 1.00 0.00 O ATOM 625 CB GLN B 22 14.393 -3.113 -0.406 1.00 0.00 C ATOM 626 CG GLN B 22 15.706 -2.840 -1.124 1.00 0.00 C ATOM 627 CD GLN B 22 16.906 -2.896 -0.198 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.701 -2.543 1.066 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 18.008 -3.252 -0.615 1.00 0.00 N flip ATOM 0 H GLN B 22 14.118 -5.476 -1.521 1.00 0.00 H new ATOM 0 HA GLN B 22 15.117 -4.483 1.076 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.577 -3.062 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.219 -2.327 0.328 1.00 0.00 H new ATOM 0 HG2 GLN B 22 15.836 -3.569 -1.924 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.661 -1.857 -1.593 1.00 0.00 H new ATOM 0 HE21 GLN B 22 18.122 -3.515 -1.594 1.00 0.00 H new ATOM 0 HE22 GLN B 22 18.807 -3.284 0.018 1.00 0.00 H new ATOM 638 N GLU B 23 12.529 -3.686 1.678 1.00 0.00 N ATOM 639 CA GLU B 23 11.239 -3.769 2.360 1.00 0.00 C ATOM 640 C GLU B 23 10.595 -2.396 2.506 1.00 0.00 C ATOM 641 O GLU B 23 11.022 -1.424 1.883 1.00 0.00 O ATOM 642 CB GLU B 23 11.410 -4.395 3.749 1.00 0.00 C ATOM 643 CG GLU B 23 11.924 -5.821 3.719 1.00 0.00 C ATOM 644 CD GLU B 23 12.151 -6.389 5.107 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.282 -6.263 5.624 1.00 0.00 O ATOM 646 OE2 GLU B 23 11.197 -6.961 5.678 1.00 0.00 O ATOM 0 H GLU B 23 13.025 -2.806 1.819 1.00 0.00 H new ATOM 0 HA GLU B 23 10.588 -4.395 1.750 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.099 -3.783 4.331 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.451 -4.375 4.267 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.211 -6.449 3.186 1.00 0.00 H new ATOM 0 HG3 GLU B 23 12.859 -5.855 3.159 1.00 0.00 H new ATOM 653 N LEU B 24 9.558 -2.334 3.336 1.00 0.00 N ATOM 654 CA LEU B 24 8.841 -1.092 3.595 1.00 0.00 C ATOM 655 C LEU B 24 7.996 -1.233 4.857 1.00 0.00 C ATOM 656 O LEU B 24 7.229 -2.187 4.996 1.00 0.00 O ATOM 657 CB LEU B 24 7.953 -0.723 2.402 1.00 0.00 C ATOM 658 CG LEU B 24 7.503 0.742 2.350 1.00 0.00 C ATOM 659 CD1 LEU B 24 6.977 1.087 0.966 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.447 1.027 3.407 1.00 0.00 C ATOM 0 H LEU B 24 9.193 -3.139 3.845 1.00 0.00 H new ATOM 0 HA LEU B 24 9.569 -0.294 3.741 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.493 -0.953 1.483 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.067 -1.358 2.419 1.00 0.00 H new ATOM 0 HG LEU B 24 8.369 1.369 2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.662 2.130 0.946 1.00 0.00 H new ATOM 0 HD12 LEU B 24 7.764 0.932 0.228 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.127 0.447 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.146 2.073 3.348 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.580 0.389 3.236 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.858 0.823 4.396 1.00 0.00 H new ATOM 672 N VAL B 25 8.141 -0.284 5.773 1.00 0.00 N ATOM 673 CA VAL B 25 7.396 -0.313 7.026 1.00 0.00 C ATOM 674 C VAL B 25 6.644 0.992 7.256 1.00 0.00 C ATOM 675 O VAL B 25 7.151 2.075 6.965 1.00 0.00 O ATOM 676 CB VAL B 25 8.331 -0.574 8.225 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.534 -0.672 9.517 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.147 -1.839 7.999 1.00 0.00 C ATOM 0 H VAL B 25 8.767 0.515 5.672 1.00 0.00 H new ATOM 0 HA VAL B 25 6.677 -1.128 6.947 1.00 0.00 H new ATOM 0 HB VAL B 25 9.019 0.267 8.313 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.212 -0.856 10.350 1.00 0.00 H new ATOM 0 HG12 VAL B 25 6.998 0.262 9.685 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.820 -1.492 9.443 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.801 -2.008 8.855 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.475 -2.689 7.882 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.750 -1.727 7.098 1.00 0.00 H new ATOM 688 N LEU B 26 5.428 0.877 7.781 1.00 0.00 N ATOM 689 CA LEU B 26 4.598 2.044 8.058 1.00 0.00 C ATOM 690 C LEU B 26 4.132 2.046 9.509 1.00 0.00 C ATOM 691 O LEU B 26 3.550 1.072 9.986 1.00 0.00 O ATOM 692 CB LEU B 26 3.390 2.073 7.119 1.00 0.00 C ATOM 693 CG LEU B 26 3.692 2.530 5.691 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.500 2.272 4.785 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.074 4.002 5.671 1.00 0.00 C ATOM 0 H LEU B 26 4.995 -0.014 8.023 1.00 0.00 H new ATOM 0 HA LEU B 26 5.200 2.937 7.888 1.00 0.00 H new ATOM 0 HB2 LEU B 26 2.955 1.074 7.080 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.634 2.734 7.544 1.00 0.00 H new ATOM 0 HG LEU B 26 4.537 1.953 5.316 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.733 2.604 3.773 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.275 1.206 4.775 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.635 2.822 5.156 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.285 4.309 4.647 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.250 4.597 6.066 1.00 0.00 H new ATOM 0 HD23 LEU B 26 4.960 4.156 6.286 1.00 0.00 H new ATOM 707 N THR B 27 4.393 3.147 10.206 1.00 0.00 N ATOM 708 CA THR B 27 4.002 3.276 11.605 1.00 0.00 C ATOM 709 C THR B 27 3.237 4.573 11.850 1.00 0.00 C ATOM 710 O THR B 27 3.836 5.636 12.015 1.00 0.00 O ATOM 711 CB THR B 27 5.230 3.231 12.535 1.00 0.00 C ATOM 712 OG1 THR B 27 5.967 2.022 12.316 1.00 0.00 O ATOM 713 CG2 THR B 27 4.808 3.312 13.996 1.00 0.00 C ATOM 0 H THR B 27 4.873 3.962 9.825 1.00 0.00 H new ATOM 0 HA THR B 27 3.352 2.431 11.830 1.00 0.00 H new ATOM 0 HB THR B 27 5.861 4.090 12.306 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.747 2.002 12.910 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.692 3.278 14.633 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.272 4.245 14.169 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.157 2.470 14.234 1.00 0.00 H new ATOM 721 N LEU B 28 1.912 4.476 11.865 1.00 0.00 N ATOM 722 CA LEU B 28 1.062 5.641 12.092 1.00 0.00 C ATOM 723 C LEU B 28 0.243 5.469 13.371 1.00 0.00 C ATOM 724 O LEU B 28 0.036 4.348 13.835 1.00 0.00 O ATOM 725 CB LEU B 28 0.120 5.865 10.901 1.00 0.00 C ATOM 726 CG LEU B 28 0.791 6.281 9.585 1.00 0.00 C ATOM 727 CD1 LEU B 28 1.695 7.487 9.798 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.578 5.123 8.987 1.00 0.00 C ATOM 0 H LEU B 28 1.403 3.604 11.723 1.00 0.00 H new ATOM 0 HA LEU B 28 1.708 6.512 12.200 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.439 4.946 10.727 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.605 6.632 11.175 1.00 0.00 H new ATOM 0 HG LEU B 28 0.007 6.560 8.881 1.00 0.00 H new ATOM 0 HD11 LEU B 28 2.160 7.765 8.852 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.104 8.323 10.171 1.00 0.00 H new ATOM 0 HD13 LEU B 28 2.469 7.238 10.524 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.044 5.443 8.055 1.00 0.00 H new ATOM 0 HD22 LEU B 28 2.350 4.807 9.689 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.904 4.289 8.788 1.00 0.00 H new ATOM 740 N PRO B 29 -0.233 6.582 13.961 1.00 0.00 N ATOM 741 CA PRO B 29 -1.031 6.544 15.188 1.00 0.00 C ATOM 742 C PRO B 29 -2.476 6.135 14.924 1.00 0.00 C ATOM 743 O PRO B 29 -3.064 6.522 13.913 1.00 0.00 O ATOM 744 CB PRO B 29 -0.963 7.983 15.690 1.00 0.00 C ATOM 745 CG PRO B 29 -0.816 8.804 14.455 1.00 0.00 C ATOM 746 CD PRO B 29 -0.033 7.964 13.477 1.00 0.00 C ATOM 0 HA PRO B 29 -0.656 5.810 15.902 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.863 8.254 16.241 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.120 8.128 16.365 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.791 9.069 14.046 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.296 9.738 14.669 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.401 8.088 12.459 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.022 8.237 13.470 1.00 0.00 H new ATOM 754 N SER B 30 -3.045 5.352 15.836 1.00 0.00 N ATOM 755 CA SER B 30 -4.421 4.892 15.694 1.00 0.00 C ATOM 756 C SER B 30 -5.052 4.614 17.053 1.00 0.00 C ATOM 757 O SER B 30 -6.142 5.105 17.350 1.00 0.00 O ATOM 758 CB SER B 30 -4.468 3.628 14.832 1.00 0.00 C ATOM 759 OG SER B 30 -3.734 2.575 15.429 1.00 0.00 O ATOM 0 H SER B 30 -2.575 5.024 16.680 1.00 0.00 H new ATOM 0 HA SER B 30 -4.991 5.683 15.207 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.504 3.319 14.691 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.062 3.843 13.844 1.00 0.00 H new ATOM 0 HG SER B 30 -3.646 1.835 14.792 1.00 0.00 H new ATOM 765 N ASN B 31 -4.362 3.823 17.871 1.00 0.00 N ATOM 766 CA ASN B 31 -4.855 3.472 19.199 1.00 0.00 C ATOM 767 C ASN B 31 -6.185 2.721 19.105 1.00 0.00 C ATOM 768 O ASN B 31 -7.239 3.336 18.957 1.00 0.00 O ATOM 769 CB ASN B 31 -5.024 4.728 20.058 1.00 0.00 C ATOM 770 CG ASN B 31 -3.725 5.494 20.231 1.00 0.00 C ATOM 771 OD1 ASN B 31 -2.608 4.773 20.247 1.00 0.00 O flip ATOM 772 ND2 ASN B 31 -3.726 6.719 20.351 1.00 0.00 N flip ATOM 0 H ASN B 31 -3.458 3.413 17.636 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.120 2.819 19.669 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -5.768 5.380 19.600 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -5.408 4.445 21.038 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.607 7.232 20.333 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -2.846 7.221 20.468 1.00 0.00 H new ATOM 779 N PRO B 32 -6.149 1.376 19.186 1.00 0.00 N ATOM 780 CA PRO B 32 -7.358 0.547 19.106 1.00 0.00 C ATOM 781 C PRO B 32 -8.409 0.941 20.141 1.00 0.00 C ATOM 782 O PRO B 32 -9.563 0.517 20.061 1.00 0.00 O ATOM 783 CB PRO B 32 -6.845 -0.869 19.382 1.00 0.00 C ATOM 784 CG PRO B 32 -5.403 -0.829 19.020 1.00 0.00 C ATOM 785 CD PRO B 32 -4.934 0.559 19.356 1.00 0.00 C ATOM 0 HA PRO B 32 -7.855 0.655 18.142 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.983 -1.142 20.428 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.382 -1.607 18.786 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.839 -1.578 19.577 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -5.260 -1.044 17.961 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.548 0.618 20.374 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.133 0.885 18.692 1.00 0.00 H new ATOM 793 N THR B 33 -8.005 1.753 21.111 1.00 0.00 N ATOM 794 CA THR B 33 -8.911 2.203 22.161 1.00 0.00 C ATOM 795 C THR B 33 -9.961 3.164 21.612 1.00 0.00 C ATOM 796 O THR B 33 -10.865 3.588 22.333 1.00 0.00 O ATOM 797 CB THR B 33 -8.147 2.895 23.304 1.00 0.00 C ATOM 798 OG1 THR B 33 -7.447 4.040 22.804 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.162 1.937 23.956 1.00 0.00 C ATOM 0 H THR B 33 -7.054 2.114 21.192 1.00 0.00 H new ATOM 0 HA THR B 33 -9.407 1.314 22.550 1.00 0.00 H new ATOM 0 HB THR B 33 -8.871 3.212 24.054 1.00 0.00 H new ATOM 0 HG1 THR B 33 -6.965 4.475 23.538 1.00 0.00 H new ATOM 0 HG21 THR B 33 -6.634 2.449 24.761 1.00 0.00 H new ATOM 0 HG22 THR B 33 -7.701 1.082 24.363 1.00 0.00 H new ATOM 0 HG23 THR B 33 -6.443 1.592 23.213 1.00 0.00 H new ATOM 807 N THR B 34 -9.836 3.506 20.333 1.00 0.00 N ATOM 808 CA THR B 34 -10.776 4.417 19.692 1.00 0.00 C ATOM 809 C THR B 34 -11.767 3.662 18.813 1.00 0.00 C ATOM 810 O THR B 34 -12.957 3.585 19.128 1.00 0.00 O ATOM 811 CB THR B 34 -10.046 5.473 18.838 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.213 4.830 17.866 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.200 6.383 19.715 1.00 0.00 C ATOM 0 H THR B 34 -9.094 3.166 19.722 1.00 0.00 H new ATOM 0 HA THR B 34 -11.318 4.921 20.492 1.00 0.00 H new ATOM 0 HB THR B 34 -10.796 6.077 18.328 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.448 4.414 18.315 1.00 0.00 H new ATOM 0 HG21 THR B 34 -8.694 7.121 19.092 1.00 0.00 H new ATOM 0 HG22 THR B 34 -9.841 6.894 20.434 1.00 0.00 H new ATOM 0 HG23 THR B 34 -8.459 5.788 20.248 1.00 0.00 H new ATOM 821 N GLY B 35 -11.277 3.105 17.709 1.00 0.00 N ATOM 822 CA GLY B 35 -12.135 2.366 16.805 1.00 0.00 C ATOM 823 C GLY B 35 -11.708 2.527 15.363 1.00 0.00 C ATOM 824 O GLY B 35 -11.786 1.585 14.575 1.00 0.00 O ATOM 0 H GLY B 35 -10.298 3.154 17.426 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.119 1.309 17.072 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.163 2.709 16.919 1.00 0.00 H new ATOM 828 N PHE B 36 -11.254 3.727 15.018 1.00 0.00 N ATOM 829 CA PHE B 36 -10.807 4.015 13.666 1.00 0.00 C ATOM 830 C PHE B 36 -9.396 3.493 13.436 1.00 0.00 C ATOM 831 O PHE B 36 -8.414 4.113 13.844 1.00 0.00 O ATOM 832 CB PHE B 36 -10.856 5.517 13.400 1.00 0.00 C ATOM 833 CG PHE B 36 -12.229 6.029 13.071 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.222 6.061 14.036 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.524 6.481 11.794 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.486 6.532 13.733 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.785 6.955 11.486 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.768 6.980 12.457 1.00 0.00 C ATOM 0 H PHE B 36 -11.187 4.516 15.661 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.479 3.508 12.974 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.482 6.044 14.278 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.183 5.753 12.576 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.007 5.714 15.036 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.760 6.462 11.031 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.253 6.550 14.494 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.002 7.305 10.488 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.755 7.349 12.219 1.00 0.00 H new ATOM 848 N ARG B 37 -9.309 2.342 12.791 1.00 0.00 N ATOM 849 CA ARG B 37 -8.026 1.721 12.486 1.00 0.00 C ATOM 850 C ARG B 37 -7.533 2.143 11.108 1.00 0.00 C ATOM 851 O ARG B 37 -7.899 3.205 10.604 1.00 0.00 O ATOM 852 CB ARG B 37 -8.147 0.199 12.539 1.00 0.00 C ATOM 853 CG ARG B 37 -8.166 -0.367 13.950 1.00 0.00 C ATOM 854 CD ARG B 37 -6.834 -0.167 14.654 1.00 0.00 C ATOM 855 NE ARG B 37 -5.745 -0.860 13.970 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.521 -0.990 14.474 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.231 -0.475 15.661 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.586 -1.634 13.791 1.00 0.00 N ATOM 0 H ARG B 37 -10.118 1.813 12.465 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.306 2.053 13.234 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.060 -0.102 12.025 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.313 -0.242 11.992 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.957 0.115 14.525 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.402 -1.431 13.912 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.609 0.898 14.708 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -6.908 -0.530 15.679 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.934 -1.267 13.054 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.947 0.022 16.190 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.292 -0.576 16.045 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.804 -2.031 12.877 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.648 -1.733 14.179 1.00 0.00 H new ATOM 872 N TRP B 38 -6.695 1.304 10.504 1.00 0.00 N ATOM 873 CA TRP B 38 -6.158 1.586 9.183 1.00 0.00 C ATOM 874 C TRP B 38 -6.342 0.392 8.254 1.00 0.00 C ATOM 875 O TRP B 38 -5.794 -0.684 8.494 1.00 0.00 O ATOM 876 CB TRP B 38 -4.675 1.960 9.274 1.00 0.00 C ATOM 877 CG TRP B 38 -4.428 3.241 10.008 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.209 3.387 11.347 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.376 4.558 9.447 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.024 4.714 11.653 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.122 5.453 10.504 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.517 5.070 8.153 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.009 6.827 10.307 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.404 6.435 7.958 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.152 7.301 9.032 1.00 0.00 C ATOM 0 H TRP B 38 -6.376 0.425 10.911 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.709 2.431 8.770 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.135 1.155 9.772 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.266 2.043 8.267 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.185 2.578 12.062 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.843 5.088 12.585 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.711 4.411 7.320 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.815 7.495 11.133 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.512 6.840 6.963 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.069 8.362 8.849 1.00 0.00 H new ATOM 896 N GLU B 39 -7.116 0.592 7.192 1.00 0.00 N ATOM 897 CA GLU B 39 -7.376 -0.467 6.225 1.00 0.00 C ATOM 898 C GLU B 39 -6.464 -0.333 5.010 1.00 0.00 C ATOM 899 O GLU B 39 -6.020 0.766 4.673 1.00 0.00 O ATOM 900 CB GLU B 39 -8.841 -0.431 5.787 1.00 0.00 C ATOM 901 CG GLU B 39 -9.823 -0.632 6.931 1.00 0.00 C ATOM 902 CD GLU B 39 -9.669 -1.983 7.602 1.00 0.00 C ATOM 903 OE1 GLU B 39 -10.337 -2.942 7.164 1.00 0.00 O ATOM 904 OE2 GLU B 39 -8.880 -2.082 8.565 1.00 0.00 O ATOM 0 H GLU B 39 -7.574 1.478 6.980 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.169 -1.424 6.704 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.045 0.527 5.308 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.007 -1.204 5.037 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.679 0.155 7.671 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.841 -0.532 6.553 1.00 0.00 H new ATOM 911 N LEU B 40 -6.186 -1.456 4.359 1.00 0.00 N ATOM 912 CA LEU B 40 -5.322 -1.464 3.181 1.00 0.00 C ATOM 913 C LEU B 40 -6.138 -1.404 1.897 1.00 0.00 C ATOM 914 O LEU B 40 -6.780 -2.381 1.509 1.00 0.00 O ATOM 915 CB LEU B 40 -4.442 -2.717 3.175 1.00 0.00 C ATOM 916 CG LEU B 40 -3.374 -2.765 4.268 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.697 -4.127 4.292 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.345 -1.662 4.060 1.00 0.00 C ATOM 0 H LEU B 40 -6.545 -2.373 4.625 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.689 -0.578 3.228 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.083 -3.593 3.276 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.951 -2.792 2.205 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.860 -2.604 5.230 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.940 -4.143 5.076 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.440 -4.899 4.490 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.225 -4.316 3.328 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.593 -1.712 4.848 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.864 -1.791 3.090 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.840 -0.692 4.093 1.00 0.00 H new ATOM 930 N ARG B 41 -6.111 -0.250 1.240 1.00 0.00 N ATOM 931 CA ARG B 41 -6.838 -0.063 -0.010 1.00 0.00 C ATOM 932 C ARG B 41 -6.066 -0.681 -1.170 1.00 0.00 C ATOM 933 O ARG B 41 -6.628 -0.947 -2.232 1.00 0.00 O ATOM 934 CB ARG B 41 -7.079 1.426 -0.268 1.00 0.00 C ATOM 935 CG ARG B 41 -7.902 2.110 0.815 1.00 0.00 C ATOM 936 CD ARG B 41 -9.322 1.572 0.862 1.00 0.00 C ATOM 937 NE ARG B 41 -10.024 1.771 -0.404 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.168 1.168 -0.717 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.737 0.332 0.142 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.744 1.402 -1.887 1.00 0.00 N ATOM 0 H ARG B 41 -5.593 0.571 1.553 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.803 -0.563 0.072 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.117 1.931 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.587 1.542 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.424 1.962 1.784 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.925 3.184 0.631 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.299 0.509 1.101 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.871 2.067 1.663 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.614 2.408 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.297 0.151 1.044 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.614 -0.129 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.310 2.045 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.621 0.939 -2.125 1.00 0.00 H new ATOM 954 N ASN B 42 -4.771 -0.907 -0.955 1.00 0.00 N ATOM 955 CA ASN B 42 -3.911 -1.498 -1.978 1.00 0.00 C ATOM 956 C ASN B 42 -2.522 -1.796 -1.409 1.00 0.00 C ATOM 957 O ASN B 42 -1.632 -0.947 -1.455 1.00 0.00 O ATOM 958 CB ASN B 42 -3.790 -0.563 -3.186 1.00 0.00 C ATOM 959 CG ASN B 42 -3.075 -1.214 -4.356 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.688 -1.920 -5.156 1.00 0.00 O ATOM 961 ND2 ASN B 42 -1.773 -0.973 -4.468 1.00 0.00 N ATOM 0 H ASN B 42 -4.294 -0.689 -0.080 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.366 -2.434 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.786 -0.251 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.252 0.338 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.244 -1.379 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -1.303 -0.382 -3.783 1.00 0.00 H new ATOM 968 N PRO B 43 -2.319 -3.010 -0.862 1.00 0.00 N ATOM 969 CA PRO B 43 -1.033 -3.409 -0.279 1.00 0.00 C ATOM 970 C PRO B 43 0.026 -3.696 -1.340 1.00 0.00 C ATOM 971 O PRO B 43 1.108 -4.194 -1.026 1.00 0.00 O ATOM 972 CB PRO B 43 -1.380 -4.686 0.485 1.00 0.00 C ATOM 973 CG PRO B 43 -2.530 -5.263 -0.267 1.00 0.00 C ATOM 974 CD PRO B 43 -3.325 -4.088 -0.764 1.00 0.00 C ATOM 0 HA PRO B 43 -0.604 -2.622 0.341 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.536 -5.375 0.512 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.649 -4.470 1.519 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.185 -5.880 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.136 -5.902 0.375 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.787 -4.295 -1.729 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.128 -3.826 -0.075 1.00 0.00 H new ATOM 982 N ALA B 44 -0.289 -3.376 -2.591 1.00 0.00 N ATOM 983 CA ALA B 44 0.640 -3.601 -3.693 1.00 0.00 C ATOM 984 C ALA B 44 1.124 -5.047 -3.709 1.00 0.00 C ATOM 985 O ALA B 44 2.245 -5.330 -4.130 1.00 0.00 O ATOM 986 CB ALA B 44 1.818 -2.647 -3.589 1.00 0.00 C ATOM 0 H ALA B 44 -1.179 -2.961 -2.867 1.00 0.00 H new ATOM 0 HA ALA B 44 0.115 -3.410 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.504 -2.825 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.458 -1.619 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.338 -2.812 -2.645 1.00 0.00 H new ATOM 992 N ALA B 45 0.268 -5.956 -3.255 1.00 0.00 N ATOM 993 CA ALA B 45 0.603 -7.375 -3.211 1.00 0.00 C ATOM 994 C ALA B 45 0.928 -7.913 -4.602 1.00 0.00 C ATOM 995 O ALA B 45 1.383 -9.047 -4.748 1.00 0.00 O ATOM 996 CB ALA B 45 -0.539 -8.164 -2.590 1.00 0.00 C ATOM 0 H ALA B 45 -0.666 -5.734 -2.911 1.00 0.00 H new ATOM 0 HA ALA B 45 1.493 -7.493 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.278 -9.222 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.718 -7.808 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.441 -8.029 -3.186 1.00 0.00 H new ATOM 1002 N SER B 46 0.688 -7.094 -5.620 1.00 0.00 N ATOM 1003 CA SER B 46 0.953 -7.485 -6.999 1.00 0.00 C ATOM 1004 C SER B 46 2.448 -7.675 -7.239 1.00 0.00 C ATOM 1005 O SER B 46 2.852 -8.483 -8.078 1.00 0.00 O ATOM 1006 CB SER B 46 0.398 -6.438 -7.964 1.00 0.00 C ATOM 1007 OG SER B 46 -1.003 -6.292 -7.809 1.00 0.00 O ATOM 0 H SER B 46 0.309 -6.153 -5.515 1.00 0.00 H new ATOM 0 HA SER B 46 0.454 -8.437 -7.180 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.888 -5.481 -7.788 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.625 -6.728 -8.990 1.00 0.00 H new ATOM 0 HG SER B 46 -1.333 -5.615 -8.436 1.00 0.00 H new ATOM 1013 N VAL B 47 3.267 -6.927 -6.505 1.00 0.00 N ATOM 1014 CA VAL B 47 4.716 -7.020 -6.649 1.00 0.00 C ATOM 1015 C VAL B 47 5.410 -7.154 -5.295 1.00 0.00 C ATOM 1016 O VAL B 47 6.371 -7.910 -5.156 1.00 0.00 O ATOM 1017 CB VAL B 47 5.288 -5.799 -7.398 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.713 -5.719 -8.801 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.016 -4.515 -6.629 1.00 0.00 C ATOM 0 H VAL B 47 2.953 -6.252 -5.807 1.00 0.00 H new ATOM 0 HA VAL B 47 4.912 -7.919 -7.234 1.00 0.00 H new ATOM 0 HB VAL B 47 6.368 -5.921 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.127 -4.852 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.970 -6.624 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.629 -5.624 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.429 -3.668 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.941 -4.382 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.483 -4.574 -5.646 1.00 0.00 H new ATOM 1029 N LEU B 48 4.920 -6.419 -4.300 1.00 0.00 N ATOM 1030 CA LEU B 48 5.504 -6.466 -2.963 1.00 0.00 C ATOM 1031 C LEU B 48 4.835 -7.546 -2.119 1.00 0.00 C ATOM 1032 O LEU B 48 3.618 -7.538 -1.933 1.00 0.00 O ATOM 1033 CB LEU B 48 5.376 -5.106 -2.268 1.00 0.00 C ATOM 1034 CG LEU B 48 5.724 -3.896 -3.139 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.556 -2.609 -2.347 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.142 -4.016 -3.675 1.00 0.00 C ATOM 0 H LEU B 48 4.125 -5.787 -4.393 1.00 0.00 H new ATOM 0 HA LEU B 48 6.562 -6.708 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.353 -4.994 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.023 -5.101 -1.391 1.00 0.00 H new ATOM 0 HG LEU B 48 5.040 -3.870 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.807 -1.757 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.523 -2.520 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.218 -2.626 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.372 -3.147 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.843 -4.066 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.228 -4.921 -4.276 1.00 0.00 H new ATOM 1048 N LYS B 49 5.638 -8.473 -1.609 1.00 0.00 N ATOM 1049 CA LYS B 49 5.125 -9.562 -0.787 1.00 0.00 C ATOM 1050 C LYS B 49 4.778 -9.070 0.616 1.00 0.00 C ATOM 1051 O LYS B 49 5.369 -8.109 1.110 1.00 0.00 O ATOM 1052 CB LYS B 49 6.153 -10.693 -0.707 1.00 0.00 C ATOM 1053 CG LYS B 49 5.641 -11.937 0.003 1.00 0.00 C ATOM 1054 CD LYS B 49 6.687 -13.038 0.024 1.00 0.00 C ATOM 1055 CE LYS B 49 7.682 -12.853 1.162 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.478 -11.603 1.013 1.00 0.00 N ATOM 0 H LYS B 49 6.648 -8.492 -1.751 1.00 0.00 H new ATOM 0 HA LYS B 49 4.215 -9.940 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.462 -10.963 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.040 -10.329 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.358 -11.683 1.025 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.742 -12.298 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.194 -14.005 0.126 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.220 -13.050 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.146 -12.830 2.111 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.356 -13.709 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.319 -11.652 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.775 -11.496 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 7.897 -10.786 1.290 1.00 0.00 H new ATOM 1070 N ARG B 50 3.818 -9.734 1.252 1.00 0.00 N ATOM 1071 CA ARG B 50 3.392 -9.363 2.598 1.00 0.00 C ATOM 1072 C ARG B 50 4.000 -10.295 3.641 1.00 0.00 C ATOM 1073 O ARG B 50 4.195 -11.484 3.389 1.00 0.00 O ATOM 1074 CB ARG B 50 1.866 -9.398 2.700 1.00 0.00 C ATOM 1075 CG ARG B 50 1.167 -8.516 1.676 1.00 0.00 C ATOM 1076 CD ARG B 50 -0.340 -8.529 1.869 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.897 -9.874 1.750 1.00 0.00 N ATOM 1078 CZ ARG B 50 -2.150 -10.185 2.072 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.971 -9.251 2.534 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.580 -11.432 1.934 1.00 0.00 N ATOM 0 H ARG B 50 3.320 -10.532 0.857 1.00 0.00 H new ATOM 0 HA ARG B 50 3.742 -8.350 2.794 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.525 -10.426 2.575 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.570 -9.084 3.701 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.537 -7.494 1.761 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.409 -8.861 0.671 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.583 -8.122 2.850 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.806 -7.877 1.129 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.291 -10.617 1.400 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.642 -8.292 2.643 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.931 -9.492 2.780 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.950 -12.153 1.581 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.541 -11.671 2.181 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.133 -0.227 18.131 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.939 0.688 17.010 1.00 0.00 C ATOM 1351 C GLU B 71 -0.968 -0.063 15.684 1.00 0.00 C ATOM 1352 O GLU B 71 -1.066 -1.291 15.655 1.00 0.00 O ATOM 1353 CB GLU B 71 0.387 1.435 17.159 1.00 0.00 C ATOM 1354 CG GLU B 71 1.599 0.519 17.210 1.00 0.00 C ATOM 1355 CD GLU B 71 2.900 1.283 17.351 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.541 1.560 16.316 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.278 1.605 18.496 1.00 0.00 O ATOM 0 HA GLU B 71 -1.756 1.409 17.015 1.00 0.00 H new ATOM 0 HB2 GLU B 71 0.500 2.127 16.325 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.356 2.034 18.069 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.494 -0.170 18.048 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.632 -0.084 16.303 1.00 0.00 H new ATOM 1364 N SER B 72 -0.883 0.681 14.585 1.00 0.00 N ATOM 1365 CA SER B 72 -0.898 0.086 13.254 1.00 0.00 C ATOM 1366 C SER B 72 0.521 -0.169 12.758 1.00 0.00 C ATOM 1367 O SER B 72 1.333 0.752 12.670 1.00 0.00 O ATOM 1368 CB SER B 72 -1.639 0.998 12.274 1.00 0.00 C ATOM 1369 OG SER B 72 -1.662 0.436 10.973 1.00 0.00 O ATOM 0 H SER B 72 -0.803 1.698 14.591 1.00 0.00 H new ATOM 0 HA SER B 72 -1.419 -0.869 13.314 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.659 1.159 12.622 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.155 1.974 12.244 1.00 0.00 H new ATOM 0 HG SER B 72 -0.947 0.832 10.433 1.00 0.00 H new ATOM 1375 N THR B 73 0.811 -1.425 12.432 1.00 0.00 N ATOM 1376 CA THR B 73 2.132 -1.802 11.944 1.00 0.00 C ATOM 1377 C THR B 73 2.036 -2.534 10.610 1.00 0.00 C ATOM 1378 O THR B 73 1.287 -3.502 10.475 1.00 0.00 O ATOM 1379 CB THR B 73 2.870 -2.698 12.956 1.00 0.00 C ATOM 1380 OG1 THR B 73 2.966 -2.032 14.221 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.265 -3.049 12.459 1.00 0.00 C ATOM 0 H THR B 73 0.149 -2.198 12.497 1.00 0.00 H new ATOM 0 HA THR B 73 2.695 -0.878 11.810 1.00 0.00 H new ATOM 0 HB THR B 73 2.300 -3.620 13.070 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.435 -2.609 14.860 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.764 -3.682 13.193 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.190 -3.582 11.511 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.841 -2.135 12.317 1.00 0.00 H new ATOM 1389 N TRP B 74 2.799 -2.065 9.626 1.00 0.00 N ATOM 1390 CA TRP B 74 2.801 -2.676 8.301 1.00 0.00 C ATOM 1391 C TRP B 74 4.221 -3.032 7.872 1.00 0.00 C ATOM 1392 O TRP B 74 5.148 -2.246 8.054 1.00 0.00 O ATOM 1393 CB TRP B 74 2.170 -1.729 7.278 1.00 0.00 C ATOM 1394 CG TRP B 74 0.797 -1.270 7.661 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.421 0.001 7.990 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.382 -2.076 7.759 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.921 0.034 8.285 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.436 -1.228 8.149 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.651 -3.433 7.551 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.737 -1.693 8.337 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.941 -3.893 7.738 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -2.970 -3.024 8.128 1.00 0.00 C ATOM 0 H TRP B 74 3.423 -1.264 9.722 1.00 0.00 H new ATOM 0 HA TRP B 74 2.212 -3.592 8.348 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.814 -0.859 7.153 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.121 -2.230 6.311 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.081 0.855 8.015 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.448 0.863 8.560 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.135 -4.109 7.250 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.532 -1.026 8.637 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.160 -4.939 7.581 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -3.968 -3.414 8.266 1.00 0.00 H new ATOM 1413 N ARG B 75 4.381 -4.224 7.302 1.00 0.00 N ATOM 1414 CA ARG B 75 5.688 -4.686 6.846 1.00 0.00 C ATOM 1415 C ARG B 75 5.565 -5.492 5.558 1.00 0.00 C ATOM 1416 O ARG B 75 4.819 -6.468 5.495 1.00 0.00 O ATOM 1417 CB ARG B 75 6.354 -5.531 7.926 1.00 0.00 C ATOM 1418 CG ARG B 75 7.843 -5.712 7.696 1.00 0.00 C ATOM 1419 CD ARG B 75 8.489 -6.461 8.843 1.00 0.00 C ATOM 1420 NE ARG B 75 8.369 -5.739 10.108 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.702 -6.256 11.286 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.174 -7.493 11.361 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.564 -5.535 12.391 1.00 0.00 N ATOM 0 H ARG B 75 3.622 -4.887 7.145 1.00 0.00 H new ATOM 0 HA ARG B 75 6.305 -3.810 6.645 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.195 -5.062 8.897 1.00 0.00 H new ATOM 0 HB3 ARG B 75 5.875 -6.509 7.962 1.00 0.00 H new ATOM 0 HG2 ARG B 75 8.006 -6.256 6.766 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.317 -4.737 7.582 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.026 -7.443 8.941 1.00 0.00 H new ATOM 0 HD3 ARG B 75 9.543 -6.627 8.619 1.00 0.00 H new ATOM 0 HE ARG B 75 8.009 -4.785 10.085 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.282 -8.050 10.513 1.00 0.00 H new ATOM 0 HH12 ARG B 75 9.429 -7.888 12.266 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.202 -4.583 12.337 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.820 -5.933 13.295 1.00 0.00 H new ATOM 1437 N PHE B 76 6.302 -5.076 4.532 1.00 0.00 N ATOM 1438 CA PHE B 76 6.273 -5.759 3.242 1.00 0.00 C ATOM 1439 C PHE B 76 7.680 -5.901 2.669 1.00 0.00 C ATOM 1440 O PHE B 76 8.518 -5.014 2.834 1.00 0.00 O ATOM 1441 CB PHE B 76 5.391 -4.993 2.254 1.00 0.00 C ATOM 1442 CG PHE B 76 4.036 -4.644 2.796 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.007 -5.572 2.782 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.788 -3.385 3.320 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.757 -5.252 3.279 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.540 -3.058 3.818 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.523 -3.992 3.798 1.00 0.00 C ATOM 0 H PHE B 76 6.926 -4.270 4.569 1.00 0.00 H new ATOM 0 HA PHE B 76 5.857 -6.754 3.399 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.902 -4.076 1.961 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.268 -5.592 1.352 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.184 -6.558 2.378 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.579 -2.650 3.340 1.00 0.00 H new ATOM 0 HE1 PHE B 76 0.964 -5.985 3.262 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.361 -2.073 4.222 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.548 -3.739 4.187 1.00 0.00 H new ATOM 1457 N ARG B 77 7.932 -7.020 1.994 1.00 0.00 N ATOM 1458 CA ARG B 77 9.235 -7.272 1.386 1.00 0.00 C ATOM 1459 C ARG B 77 9.100 -7.384 -0.127 1.00 0.00 C ATOM 1460 O ARG B 77 8.260 -8.126 -0.633 1.00 0.00 O ATOM 1461 CB ARG B 77 9.858 -8.547 1.959 1.00 0.00 C ATOM 1462 CG ARG B 77 11.351 -8.677 1.691 1.00 0.00 C ATOM 1463 CD ARG B 77 11.632 -9.205 0.291 1.00 0.00 C ATOM 1464 NE ARG B 77 11.076 -10.540 0.088 1.00 0.00 N ATOM 1465 CZ ARG B 77 11.382 -11.316 -0.947 1.00 0.00 C ATOM 1466 NH1 ARG B 77 12.238 -10.892 -1.869 1.00 0.00 N ATOM 1467 NH2 ARG B 77 10.835 -12.519 -1.061 1.00 0.00 N ATOM 0 H ARG B 77 7.251 -7.766 1.855 1.00 0.00 H new ATOM 0 HA ARG B 77 9.891 -6.433 1.617 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.688 -8.571 3.035 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.346 -9.412 1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.828 -7.705 1.815 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.795 -9.346 2.428 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.211 -8.521 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.709 -9.231 0.123 1.00 0.00 H new ATOM 0 HE ARG B 77 10.416 -10.897 0.779 1.00 0.00 H new ATOM 0 HH11 ARG B 77 12.663 -9.969 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG B 77 12.471 -11.490 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG B 77 10.179 -12.850 -0.354 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.071 -13.113 -1.856 1.00 0.00 H new ATOM 1481 N VAL B 78 9.939 -6.644 -0.844 1.00 0.00 N ATOM 1482 CA VAL B 78 9.916 -6.653 -2.301 1.00 0.00 C ATOM 1483 C VAL B 78 10.394 -7.992 -2.853 1.00 0.00 C ATOM 1484 O VAL B 78 11.572 -8.332 -2.749 1.00 0.00 O ATOM 1485 CB VAL B 78 10.793 -5.526 -2.875 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.534 -5.348 -4.363 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.542 -4.228 -2.122 1.00 0.00 C ATOM 0 H VAL B 78 10.645 -6.029 -0.438 1.00 0.00 H new ATOM 0 HA VAL B 78 8.882 -6.493 -2.606 1.00 0.00 H new ATOM 0 HB VAL B 78 11.840 -5.801 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.164 -4.547 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.766 -6.276 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.486 -5.094 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.169 -3.439 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.493 -3.948 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.784 -4.366 -1.068 1.00 0.00 H new ATOM 1497 N ALA B 79 9.470 -8.748 -3.441 1.00 0.00 N ATOM 1498 CA ALA B 79 9.795 -10.053 -4.008 1.00 0.00 C ATOM 1499 C ALA B 79 9.576 -10.074 -5.517 1.00 0.00 C ATOM 1500 O ALA B 79 9.976 -11.020 -6.196 1.00 0.00 O ATOM 1501 CB ALA B 79 8.965 -11.138 -3.338 1.00 0.00 C ATOM 0 H ALA B 79 8.491 -8.479 -3.537 1.00 0.00 H new ATOM 0 HA ALA B 79 10.851 -10.247 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.216 -12.107 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.177 -11.151 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.906 -10.935 -3.495 1.00 0.00 H new ATOM 1507 N ALA B 80 8.939 -9.028 -6.035 1.00 0.00 N ATOM 1508 CA ALA B 80 8.670 -8.928 -7.465 1.00 0.00 C ATOM 1509 C ALA B 80 8.770 -7.485 -7.941 1.00 0.00 C ATOM 1510 O ALA B 80 8.641 -6.551 -7.148 1.00 0.00 O ATOM 1511 CB ALA B 80 7.296 -9.498 -7.785 1.00 0.00 C ATOM 0 H ALA B 80 8.600 -8.238 -5.486 1.00 0.00 H new ATOM 0 HA ALA B 80 9.424 -9.511 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.109 -9.417 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.259 -10.546 -7.489 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.535 -8.940 -7.240 1.00 0.00 H new ATOM 1517 N SER B 81 9.001 -7.306 -9.237 1.00 0.00 N ATOM 1518 CA SER B 81 9.120 -5.989 -9.818 1.00 0.00 C ATOM 1519 C SER B 81 7.817 -5.576 -10.485 1.00 0.00 C ATOM 1520 O SER B 81 6.918 -6.392 -10.684 1.00 0.00 O ATOM 1521 CB SER B 81 10.260 -5.971 -10.832 1.00 0.00 C ATOM 1522 OG SER B 81 11.517 -6.098 -10.189 1.00 0.00 O ATOM 0 H SER B 81 9.109 -8.070 -9.904 1.00 0.00 H new ATOM 0 HA SER B 81 9.338 -5.276 -9.023 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.129 -6.785 -11.545 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.231 -5.041 -11.400 1.00 0.00 H new ATOM 0 HG SER B 81 12.038 -6.804 -10.625 1.00 0.00 H new ATOM 1528 N GLY B 82 7.736 -4.304 -10.835 1.00 0.00 N ATOM 1529 CA GLY B 82 6.547 -3.777 -11.474 1.00 0.00 C ATOM 1530 C GLY B 82 6.129 -2.434 -10.912 1.00 0.00 C ATOM 1531 O GLY B 82 6.671 -1.978 -9.905 1.00 0.00 O ATOM 0 H GLY B 82 8.478 -3.620 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.728 -3.678 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.729 -4.487 -11.353 1.00 0.00 H new ATOM 1535 N ASP B 83 5.163 -1.800 -11.567 1.00 0.00 N ATOM 1536 CA ASP B 83 4.664 -0.507 -11.132 1.00 0.00 C ATOM 1537 C ASP B 83 3.448 -0.672 -10.226 1.00 0.00 C ATOM 1538 O ASP B 83 2.384 -1.107 -10.667 1.00 0.00 O ATOM 1539 CB ASP B 83 4.298 0.345 -12.346 1.00 0.00 C ATOM 1540 CG ASP B 83 3.448 -0.410 -13.349 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.024 -1.106 -14.211 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.204 -0.302 -13.274 1.00 0.00 O ATOM 0 H ASP B 83 4.710 -2.165 -12.405 1.00 0.00 H new ATOM 0 HA ASP B 83 5.450 -0.008 -10.565 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.760 1.233 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.210 0.689 -12.833 1.00 0.00 H new ATOM 1547 N ASP B 84 3.616 -0.323 -8.956 1.00 0.00 N ATOM 1548 CA ASP B 84 2.536 -0.433 -7.982 1.00 0.00 C ATOM 1549 C ASP B 84 2.333 0.885 -7.239 1.00 0.00 C ATOM 1550 O ASP B 84 2.942 1.900 -7.574 1.00 0.00 O ATOM 1551 CB ASP B 84 2.834 -1.556 -6.985 1.00 0.00 C ATOM 1552 CG ASP B 84 4.113 -1.317 -6.209 1.00 0.00 C ATOM 1553 OD1 ASP B 84 5.200 -1.375 -6.820 1.00 0.00 O ATOM 1554 OD2 ASP B 84 4.027 -1.075 -4.985 1.00 0.00 O ATOM 0 H ASP B 84 4.491 0.039 -8.576 1.00 0.00 H new ATOM 0 HA ASP B 84 1.618 -0.668 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP B 84 2.001 -1.649 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.909 -2.503 -7.520 1.00 0.00 H new ATOM 1559 N ARG B 85 1.467 0.860 -6.231 1.00 0.00 N ATOM 1560 CA ARG B 85 1.176 2.046 -5.444 1.00 0.00 C ATOM 1561 C ARG B 85 0.416 1.688 -4.174 1.00 0.00 C ATOM 1562 O ARG B 85 -0.780 1.408 -4.218 1.00 0.00 O ATOM 1563 CB ARG B 85 0.353 3.026 -6.272 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.023 4.286 -5.515 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.818 5.246 -6.384 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.180 6.464 -5.664 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.871 7.463 -6.206 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.272 7.388 -7.469 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.161 8.537 -5.486 1.00 0.00 N ATOM 0 H ARG B 85 0.955 0.027 -5.942 1.00 0.00 H new ATOM 0 HA ARG B 85 2.122 2.507 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.917 3.301 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.556 2.530 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.609 4.021 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.881 4.780 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.232 5.507 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.723 4.751 -6.737 1.00 0.00 H new ATOM 0 HE ARG B 85 -0.887 6.554 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.050 6.563 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.802 8.155 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.854 8.598 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -2.691 9.302 -5.903 1.00 0.00 H new ATOM 1583 N LEU B 86 1.109 1.707 -3.040 1.00 0.00 N ATOM 1584 CA LEU B 86 0.484 1.384 -1.766 1.00 0.00 C ATOM 1585 C LEU B 86 -0.663 2.341 -1.472 1.00 0.00 C ATOM 1586 O LEU B 86 -0.576 3.534 -1.758 1.00 0.00 O ATOM 1587 CB LEU B 86 1.515 1.436 -0.637 1.00 0.00 C ATOM 1588 CG LEU B 86 2.347 0.163 -0.445 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.214 0.280 0.797 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.448 -1.060 -0.339 1.00 0.00 C ATOM 0 H LEU B 86 2.100 1.942 -2.979 1.00 0.00 H new ATOM 0 HA LEU B 86 0.084 0.372 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.194 2.268 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.996 1.654 0.296 1.00 0.00 H new ATOM 0 HG LEU B 86 2.991 0.044 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.799 -0.632 0.920 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.887 1.131 0.692 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.579 0.424 1.671 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.061 -1.951 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.778 -0.947 0.514 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.860 -1.160 -1.251 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.741 1.811 -0.903 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.906 2.623 -0.577 1.00 0.00 C ATOM 1604 C GLU B 87 -3.495 2.217 0.769 1.00 0.00 C ATOM 1605 O GLU B 87 -3.749 1.037 1.016 1.00 0.00 O ATOM 1606 CB GLU B 87 -3.972 2.494 -1.668 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.452 2.774 -3.068 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.567 2.977 -4.077 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.011 4.133 -4.246 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.996 1.982 -4.696 1.00 0.00 O ATOM 0 H GLU B 87 -1.831 0.825 -0.659 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.582 3.662 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.388 1.487 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.788 3.182 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.821 3.663 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -2.823 1.944 -3.390 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.702 3.201 1.634 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.266 2.958 2.957 1.00 0.00 C ATOM 1619 C LEU B 88 -5.311 4.015 3.289 1.00 0.00 C ATOM 1620 O LEU B 88 -5.415 5.033 2.605 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.167 2.957 4.023 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.061 1.917 3.829 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.994 2.438 2.877 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.445 1.539 5.168 1.00 0.00 C ATOM 0 H LEU B 88 -3.487 4.180 1.443 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.743 1.978 2.949 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.710 3.946 4.050 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.629 2.793 4.996 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.504 1.024 3.389 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.217 1.683 2.753 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.445 2.657 1.909 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.554 3.348 3.286 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.660 0.799 5.012 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -1.018 2.426 5.636 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.214 1.121 5.817 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.088 3.772 4.341 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.121 4.714 4.751 1.00 0.00 C ATOM 1638 C VAL B 89 -7.373 4.645 6.251 1.00 0.00 C ATOM 1639 O VAL B 89 -7.070 3.645 6.902 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.440 4.464 3.993 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.922 3.038 4.210 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.510 5.466 4.399 1.00 0.00 C ATOM 0 H VAL B 89 -6.022 2.936 4.921 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.757 5.711 4.503 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.245 4.602 2.929 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.854 2.882 3.667 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.168 2.340 3.846 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.089 2.868 5.274 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.427 5.262 3.847 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.703 5.379 5.468 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.167 6.476 4.173 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.934 5.719 6.784 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.231 5.817 8.208 1.00 0.00 C ATOM 1654 C TYR B 90 -9.719 5.606 8.470 1.00 0.00 C ATOM 1655 O TYR B 90 -10.529 6.514 8.274 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.790 7.183 8.734 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.944 7.358 10.228 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.621 8.454 10.750 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.408 6.435 11.118 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.760 8.624 12.115 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.545 6.599 12.484 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.221 7.695 12.976 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.357 7.861 14.335 1.00 0.00 O ATOM 0 H TYR B 90 -8.196 6.545 6.246 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.682 5.035 8.732 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.745 7.341 8.468 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.368 7.957 8.229 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.046 9.185 10.078 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.876 5.576 10.737 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.289 9.482 12.504 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.124 5.872 13.163 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.921 7.117 14.801 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.075 4.403 8.912 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.465 4.072 9.200 1.00 0.00 C ATOM 1675 C ARG B 91 -11.562 2.785 10.014 1.00 0.00 C ATOM 1676 O ARG B 91 -10.555 2.120 10.262 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.257 3.925 7.899 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.730 2.831 6.985 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.560 2.713 5.719 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.080 1.645 4.846 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.701 1.265 3.733 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.824 1.865 3.357 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.199 0.285 2.995 1.00 0.00 N ATOM 0 H ARG B 91 -9.418 3.641 9.078 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.890 4.886 9.787 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.299 3.715 8.140 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.239 4.874 7.363 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.693 3.043 6.723 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.736 1.879 7.515 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.600 2.524 5.984 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.535 3.660 5.180 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.219 1.163 5.105 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.213 2.620 3.922 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.298 1.571 2.503 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.336 -0.178 3.281 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.676 -0.006 2.141 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.776 2.439 10.426 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.003 1.230 11.209 1.00 0.00 C ATOM 1699 C ARG B 92 -13.008 -0.006 10.307 1.00 0.00 C ATOM 1700 O ARG B 92 -13.651 -0.009 9.258 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.324 1.334 11.977 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.379 2.530 12.919 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.698 2.592 13.675 1.00 0.00 C ATOM 1704 NE ARG B 92 -15.767 3.747 14.564 1.00 0.00 N ATOM 1705 CZ ARG B 92 -16.844 4.071 15.270 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -17.943 3.332 15.190 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -16.826 5.140 16.056 1.00 0.00 N ATOM 0 H ARG B 92 -13.619 2.979 10.231 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.188 1.128 11.926 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.146 1.403 11.265 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.476 0.420 12.551 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.555 2.471 13.630 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.243 3.449 12.349 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.522 2.634 12.963 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -15.825 1.679 14.257 1.00 0.00 H new ATOM 0 HE ARG B 92 -14.941 4.339 14.648 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -17.963 2.511 14.584 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -18.768 3.584 15.734 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -15.985 5.713 16.118 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -17.654 5.388 16.598 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.288 -1.075 10.705 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.202 -2.311 9.918 1.00 0.00 C ATOM 1723 C PRO B 93 -13.522 -3.074 9.855 1.00 0.00 C ATOM 1724 O PRO B 93 -13.951 -3.498 8.780 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.146 -3.148 10.660 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.473 -2.201 11.597 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.502 -1.170 11.944 1.00 0.00 C ATOM 0 HA PRO B 93 -11.950 -2.096 8.879 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.609 -3.973 11.201 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.431 -3.585 9.963 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.121 -2.718 12.490 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.602 -1.742 11.130 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.115 -1.478 12.791 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.047 -0.216 12.210 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.165 -3.247 11.006 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.431 -3.975 11.072 1.00 0.00 C ATOM 1737 C TRP B 94 -16.489 -3.343 10.171 1.00 0.00 C ATOM 1738 O TRP B 94 -17.414 -4.018 9.723 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.937 -4.043 12.514 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.999 -2.709 13.192 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.924 -1.726 12.985 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.099 -2.213 14.188 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.651 -0.649 13.789 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -15.539 -0.922 14.539 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -13.967 -2.735 14.821 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -14.882 -0.147 15.489 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -13.318 -1.962 15.766 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -13.778 -0.680 16.092 1.00 0.00 C ATOM 0 H TRP B 94 -13.833 -2.895 11.904 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.247 -4.988 10.713 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.931 -4.491 12.521 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.286 -4.703 13.088 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -17.749 -1.788 12.291 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.190 0.216 13.823 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.606 -3.723 14.577 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -15.233 0.843 15.741 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -12.442 -2.353 16.261 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -13.249 -0.101 16.835 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.351 -2.046 9.909 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.305 -1.340 9.059 1.00 0.00 C ATOM 1761 C GLU B 95 -17.126 -1.740 7.598 1.00 0.00 C ATOM 1762 O GLU B 95 -16.177 -1.317 6.939 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.145 0.175 9.205 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.556 0.704 10.565 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.703 2.214 10.583 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -16.672 2.910 10.672 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -18.853 2.699 10.509 1.00 0.00 O ATOM 0 H GLU B 95 -15.594 -1.466 10.270 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.308 -1.620 9.380 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.104 0.441 9.021 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.740 0.670 8.438 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.501 0.247 10.858 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.814 0.406 11.306 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.046 -2.560 7.099 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.992 -3.016 5.714 1.00 0.00 C ATOM 1776 C LYS B 96 -18.333 -1.878 4.757 1.00 0.00 C ATOM 1777 O LYS B 96 -19.503 -1.546 4.565 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.956 -4.185 5.500 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.654 -5.393 6.374 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.304 -6.008 6.036 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.011 -7.220 6.904 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.690 -7.828 6.581 1.00 0.00 N ATOM 0 H LYS B 96 -18.837 -2.922 7.632 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.976 -3.352 5.506 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.973 -3.847 5.700 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.921 -4.487 4.453 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.666 -5.096 7.423 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.437 -6.140 6.245 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.288 -6.299 4.986 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.520 -5.264 6.172 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.029 -6.928 7.954 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.796 -7.963 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.528 -8.652 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -15.681 -8.130 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -14.938 -7.127 6.737 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.301 -1.283 4.165 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.484 -0.179 3.227 1.00 0.00 C ATOM 1798 C ASP B 97 -18.250 0.967 3.881 1.00 0.00 C ATOM 1799 O ASP B 97 -19.478 1.027 3.812 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.222 -0.656 1.974 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.481 -1.762 1.252 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.648 -1.448 0.377 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -17.732 -2.946 1.562 1.00 0.00 O ATOM 0 H ASP B 97 -16.328 -1.547 4.318 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.498 0.184 2.937 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.215 -1.010 2.253 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.363 0.186 1.296 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.517 1.874 4.521 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.126 3.019 5.186 1.00 0.00 C ATOM 1810 C ALA B 98 -17.376 4.306 4.864 1.00 0.00 C ATOM 1811 O ALA B 98 -16.199 4.276 4.509 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.168 2.793 6.690 1.00 0.00 C ATOM 0 H ALA B 98 -16.500 1.837 4.592 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.146 3.123 4.815 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.625 3.656 7.175 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.755 1.901 6.908 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.154 2.660 7.066 1.00 0.00 H new ATOM 1818 N GLU B 99 -18.067 5.435 4.991 1.00 0.00 N ATOM 1819 CA GLU B 99 -17.471 6.737 4.713 1.00 0.00 C ATOM 1820 C GLU B 99 -16.294 7.012 5.649 1.00 0.00 C ATOM 1821 O GLU B 99 -16.482 7.207 6.850 1.00 0.00 O ATOM 1822 CB GLU B 99 -18.521 7.840 4.865 1.00 0.00 C ATOM 1823 CG GLU B 99 -19.718 7.674 3.942 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.334 7.705 2.475 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.019 6.631 1.920 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.347 8.804 1.882 1.00 0.00 O ATOM 0 H GLU B 99 -19.043 5.474 5.285 1.00 0.00 H new ATOM 0 HA GLU B 99 -17.102 6.728 3.687 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.869 7.858 5.898 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -18.053 8.805 4.669 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -20.214 6.729 4.164 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -20.439 8.467 4.142 1.00 0.00 H new ATOM 1833 N PRO B 100 -15.058 7.030 5.111 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.857 7.282 5.906 1.00 0.00 C ATOM 1835 C PRO B 100 -13.580 8.772 6.086 1.00 0.00 C ATOM 1836 O PRO B 100 -14.439 9.609 5.813 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.762 6.631 5.071 1.00 0.00 C ATOM 1838 CG PRO B 100 -13.221 6.798 3.659 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.729 6.802 3.690 1.00 0.00 C ATOM 0 HA PRO B 100 -13.939 6.890 6.920 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.798 7.113 5.235 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -12.640 5.579 5.327 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.840 7.728 3.236 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.849 5.987 3.033 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -15.139 7.587 3.055 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -15.138 5.857 3.333 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.375 9.092 6.547 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.984 10.479 6.763 1.00 0.00 C ATOM 1849 C ALA B 101 -10.621 10.766 6.145 1.00 0.00 C ATOM 1850 O ALA B 101 -10.527 11.285 5.032 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.972 10.802 8.250 1.00 0.00 C ATOM 0 H ALA B 101 -11.653 8.409 6.778 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.719 11.118 6.272 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.678 11.842 8.394 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.968 10.646 8.664 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -11.261 10.150 8.758 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.567 10.422 6.874 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.205 10.633 6.409 1.00 0.00 C ATOM 1859 C GLU B 102 -7.868 9.706 5.249 1.00 0.00 C ATOM 1860 O GLU B 102 -8.747 9.086 4.651 1.00 0.00 O ATOM 1861 CB GLU B 102 -7.219 10.401 7.551 1.00 0.00 C ATOM 1862 CG GLU B 102 -7.092 11.580 8.495 1.00 0.00 C ATOM 1863 CD GLU B 102 -8.422 12.009 9.084 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -8.777 11.513 10.174 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -9.107 12.843 8.456 1.00 0.00 O ATOM 0 H GLU B 102 -9.632 9.992 7.797 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.126 11.663 6.061 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.533 9.525 8.118 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.238 10.175 7.132 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -6.409 11.320 9.304 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.648 12.421 7.961 1.00 0.00 H new ATOM 1872 N SER B 103 -6.579 9.622 4.949 1.00 0.00 N ATOM 1873 CA SER B 103 -6.090 8.777 3.866 1.00 0.00 C ATOM 1874 C SER B 103 -4.565 8.789 3.819 1.00 0.00 C ATOM 1875 O SER B 103 -3.928 9.741 4.272 1.00 0.00 O ATOM 1876 CB SER B 103 -6.652 9.245 2.522 1.00 0.00 C ATOM 1877 OG SER B 103 -6.274 10.583 2.246 1.00 0.00 O ATOM 0 H SER B 103 -5.848 10.132 5.444 1.00 0.00 H new ATOM 0 HA SER B 103 -6.428 7.758 4.056 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.292 8.591 1.727 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.739 9.166 2.532 1.00 0.00 H new ATOM 0 HG SER B 103 -6.645 10.856 1.381 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.986 7.727 3.269 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.534 7.615 3.163 1.00 0.00 C ATOM 1885 C PHE B 104 -2.141 6.767 1.958 1.00 0.00 C ATOM 1886 O PHE B 104 -2.231 5.539 1.996 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.956 7.009 4.445 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.455 7.002 4.487 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.240 8.083 5.004 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.259 5.912 4.017 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.621 8.078 5.047 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.640 5.901 4.057 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.323 6.986 4.573 1.00 0.00 C ATOM 0 H PHE B 104 -4.499 6.931 2.890 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.123 8.615 3.026 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.332 7.568 5.302 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.318 5.986 4.548 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.303 8.939 5.377 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.270 5.061 3.615 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.152 8.927 5.451 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.185 5.046 3.686 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.402 6.981 4.606 1.00 0.00 H new ATOM 1903 N SER B 105 -1.707 7.428 0.888 1.00 0.00 N ATOM 1904 CA SER B 105 -1.306 6.732 -0.330 1.00 0.00 C ATOM 1905 C SER B 105 0.158 7.009 -0.665 1.00 0.00 C ATOM 1906 O SER B 105 0.667 8.101 -0.409 1.00 0.00 O ATOM 1907 CB SER B 105 -2.196 7.153 -1.499 1.00 0.00 C ATOM 1908 OG SER B 105 -2.109 8.549 -1.730 1.00 0.00 O ATOM 0 H SER B 105 -1.624 8.444 0.840 1.00 0.00 H new ATOM 0 HA SER B 105 -1.422 5.662 -0.159 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.900 6.613 -2.398 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.230 6.880 -1.290 1.00 0.00 H new ATOM 0 HG SER B 105 -2.686 8.792 -2.484 1.00 0.00 H new ATOM 1914 N CYS B 106 0.826 6.013 -1.239 1.00 0.00 N ATOM 1915 CA CYS B 106 2.228 6.145 -1.614 1.00 0.00 C ATOM 1916 C CYS B 106 2.533 5.337 -2.872 1.00 0.00 C ATOM 1917 O CYS B 106 2.091 4.197 -3.012 1.00 0.00 O ATOM 1918 CB CYS B 106 3.127 5.681 -0.466 1.00 0.00 C ATOM 1919 SG CYS B 106 3.016 6.716 1.029 1.00 0.00 S ATOM 0 H CYS B 106 0.417 5.104 -1.455 1.00 0.00 H new ATOM 0 HA CYS B 106 2.427 7.196 -1.823 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.865 4.655 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.161 5.668 -0.811 1.00 0.00 H new ATOM 1924 N ALA B 107 3.293 5.936 -3.785 1.00 0.00 N ATOM 1925 CA ALA B 107 3.655 5.272 -5.032 1.00 0.00 C ATOM 1926 C ALA B 107 4.923 4.443 -4.864 1.00 0.00 C ATOM 1927 O ALA B 107 5.818 4.803 -4.101 1.00 0.00 O ATOM 1928 CB ALA B 107 3.828 6.296 -6.143 1.00 0.00 C ATOM 0 H ALA B 107 3.669 6.879 -3.684 1.00 0.00 H new ATOM 0 HA ALA B 107 2.846 4.594 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.098 5.787 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.893 6.838 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.617 6.998 -5.871 1.00 0.00 H new ATOM 1934 N ILE B 108 4.987 3.327 -5.586 1.00 0.00 N ATOM 1935 CA ILE B 108 6.135 2.428 -5.526 1.00 0.00 C ATOM 1936 C ILE B 108 6.348 1.743 -6.869 1.00 0.00 C ATOM 1937 O ILE B 108 5.392 1.312 -7.510 1.00 0.00 O ATOM 1938 CB ILE B 108 5.941 1.345 -4.442 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.789 1.990 -3.063 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.106 0.364 -4.448 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.356 1.024 -1.982 1.00 0.00 C ATOM 0 H ILE B 108 4.251 3.023 -6.224 1.00 0.00 H new ATOM 0 HA ILE B 108 7.007 3.032 -5.276 1.00 0.00 H new ATOM 0 HB ILE B 108 5.029 0.793 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.739 2.440 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.060 2.798 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.950 -0.391 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.169 -0.120 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.034 0.900 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.270 1.554 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.390 0.592 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.095 0.229 -1.887 1.00 0.00 H new ATOM 1953 N GLN B 109 7.601 1.644 -7.296 1.00 0.00 N ATOM 1954 CA GLN B 109 7.908 1.008 -8.571 1.00 0.00 C ATOM 1955 C GLN B 109 9.195 0.192 -8.486 1.00 0.00 C ATOM 1956 O GLN B 109 10.037 0.432 -7.623 1.00 0.00 O ATOM 1957 CB GLN B 109 8.028 2.060 -9.674 1.00 0.00 C ATOM 1958 CG GLN B 109 7.952 1.478 -11.075 1.00 0.00 C ATOM 1959 CD GLN B 109 8.052 2.539 -12.154 1.00 0.00 C ATOM 1960 OE1 GLN B 109 8.694 3.572 -11.968 1.00 0.00 O ATOM 1961 NE2 GLN B 109 7.416 2.288 -13.293 1.00 0.00 N ATOM 0 H GLN B 109 8.413 1.992 -6.785 1.00 0.00 H new ATOM 0 HA GLN B 109 7.090 0.329 -8.812 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.234 2.796 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.974 2.589 -9.559 1.00 0.00 H new ATOM 0 HG2 GLN B 109 8.756 0.754 -11.207 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.013 0.937 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN B 109 6.895 1.418 -13.405 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.449 2.965 -14.055 1.00 0.00 H new ATOM 1970 N VAL B 110 9.329 -0.780 -9.382 1.00 0.00 N ATOM 1971 CA VAL B 110 10.511 -1.633 -9.418 1.00 0.00 C ATOM 1972 C VAL B 110 10.978 -1.832 -10.860 1.00 0.00 C ATOM 1973 O VAL B 110 10.731 -0.985 -11.719 1.00 0.00 O ATOM 1974 CB VAL B 110 10.238 -3.008 -8.771 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.476 -3.509 -8.042 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.055 -2.931 -7.816 1.00 0.00 C ATOM 0 H VAL B 110 8.632 -0.997 -10.094 1.00 0.00 H new ATOM 0 HA VAL B 110 11.293 -1.134 -8.846 1.00 0.00 H new ATOM 0 HB VAL B 110 9.992 -3.714 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.266 -4.479 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.300 -3.608 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.751 -2.799 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.881 -3.911 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.270 -2.209 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.166 -2.618 -8.363 1.00 0.00 H new ATOM 1986 N ARG B 111 11.653 -2.947 -11.125 1.00 0.00 N ATOM 1987 CA ARG B 111 12.150 -3.238 -12.464 1.00 0.00 C ATOM 1988 C ARG B 111 10.999 -3.463 -13.440 1.00 0.00 C ATOM 1989 O ARG B 111 10.525 -2.469 -14.031 1.00 0.00 O ATOM 1990 CB ARG B 111 13.060 -4.467 -12.437 1.00 0.00 C ATOM 1991 CG ARG B 111 14.208 -4.354 -11.456 1.00 0.00 C ATOM 1992 CD ARG B 111 14.967 -3.067 -11.664 1.00 0.00 C ATOM 1993 NE ARG B 111 16.131 -2.960 -10.789 1.00 0.00 N ATOM 1994 CZ ARG B 111 16.937 -1.904 -10.757 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.708 -0.866 -11.550 1.00 0.00 N ATOM 1996 NH2 ARG B 111 17.974 -1.884 -9.931 1.00 0.00 N ATOM 1997 OXT ARG B 111 10.580 -4.627 -13.606 1.00 0.00 O ATOM 0 H ARG B 111 11.868 -3.662 -10.430 1.00 0.00 H new ATOM 0 HA ARG B 111 12.724 -2.376 -12.804 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.464 -5.344 -12.185 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.463 -4.632 -13.436 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.826 -4.395 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG B 111 14.881 -5.202 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG B 111 15.290 -3.003 -12.703 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.302 -2.223 -11.484 1.00 0.00 H new ATOM 0 HE ARG B 111 16.337 -3.741 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG B 111 15.911 -0.877 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.329 -0.057 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG B 111 18.154 -2.680 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.592 -1.073 -9.908 1.00 0.00 H new