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 Set 1.1: B 30 SER OG : rot 37:sc= 1.4 USER MOD Set 1.2: B 72 SER OG : rot 68:sc= 0.937 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.273 USER MOD Single : B 17 LYS NZ :NH3+ 165:sc= -0.0583 (180deg=-0.336) USER MOD Single : B 19 THR OG1 : rot -52:sc= -0.339! USER MOD Single : B 20 GLN :FLIP amide:sc= -1.27 F(o=-2.7,f=-1.3) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.38 F(o=-1.9!,f=-0.38) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : B 31 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.3!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -74:sc= 1.25 USER MOD Single : B 42 ASN : amide:sc= -0.51 K(o=-0.51,f=-9!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -165:sc= -0.0166 (180deg=-0.191) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -165:sc= -0.0561 (180deg=-0.325) USER MOD Single : B 103 SER OG : rot 180:sc= -0.221 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.088 0.531 3.670 1.00 0.00 N ATOM 382 CA VAL B 5 12.720 1.929 3.528 1.00 0.00 C ATOM 383 C VAL B 5 11.459 2.231 4.340 1.00 0.00 C ATOM 384 O VAL B 5 10.570 1.386 4.453 1.00 0.00 O ATOM 385 CB VAL B 5 12.500 2.290 2.042 1.00 0.00 C ATOM 386 CG1 VAL B 5 11.036 2.149 1.649 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.002 3.692 1.762 1.00 0.00 C ATOM 0 HA VAL B 5 13.539 2.539 3.911 1.00 0.00 H new ATOM 0 HB VAL B 5 13.072 1.588 1.434 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.915 2.410 0.598 1.00 0.00 H new ATOM 0 HG12 VAL B 5 10.715 1.119 1.807 1.00 0.00 H new ATOM 0 HG13 VAL B 5 10.429 2.816 2.261 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.841 3.933 0.711 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.460 4.404 2.385 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.067 3.749 1.988 1.00 0.00 H new ATOM 397 N THR B 6 11.390 3.427 4.913 1.00 0.00 N ATOM 398 CA THR B 6 10.243 3.815 5.722 1.00 0.00 C ATOM 399 C THR B 6 9.542 5.052 5.170 1.00 0.00 C ATOM 400 O THR B 6 10.038 5.707 4.254 1.00 0.00 O ATOM 401 CB THR B 6 10.672 4.092 7.172 1.00 0.00 C ATOM 402 OG1 THR B 6 12.030 3.680 7.370 1.00 0.00 O ATOM 403 CG2 THR B 6 9.771 3.356 8.147 1.00 0.00 C ATOM 0 H THR B 6 12.113 4.142 4.832 1.00 0.00 H new ATOM 0 HA THR B 6 9.543 2.980 5.692 1.00 0.00 H new ATOM 0 HB THR B 6 10.588 5.163 7.355 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.295 3.862 8.296 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.091 3.565 9.168 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.742 3.690 8.014 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.832 2.284 7.960 1.00 0.00 H new ATOM 411 N LEU B 7 8.380 5.359 5.743 1.00 0.00 N ATOM 412 CA LEU B 7 7.593 6.516 5.328 1.00 0.00 C ATOM 413 C LEU B 7 6.833 7.102 6.513 1.00 0.00 C ATOM 414 O LEU B 7 6.967 6.627 7.641 1.00 0.00 O ATOM 415 CB LEU B 7 6.609 6.129 4.223 1.00 0.00 C ATOM 416 CG LEU B 7 7.238 5.867 2.855 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.224 5.236 1.912 1.00 0.00 C ATOM 418 CD2 LEU B 7 7.779 7.162 2.265 1.00 0.00 C ATOM 0 H LEU B 7 7.962 4.819 6.500 1.00 0.00 H new ATOM 0 HA LEU B 7 8.279 7.270 4.942 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.070 5.234 4.535 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.872 6.925 4.120 1.00 0.00 H new ATOM 0 HG LEU B 7 8.067 5.171 2.984 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.690 5.057 0.943 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.879 4.290 2.329 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.375 5.909 1.787 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.224 6.960 1.291 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.965 7.878 2.151 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.536 7.577 2.931 1.00 0.00 H new ATOM 430 N ASP B 8 6.033 8.130 6.246 1.00 0.00 N ATOM 431 CA ASP B 8 5.246 8.784 7.288 1.00 0.00 C ATOM 432 C ASP B 8 4.387 9.902 6.705 1.00 0.00 C ATOM 433 O ASP B 8 3.362 10.273 7.277 1.00 0.00 O ATOM 434 CB ASP B 8 6.162 9.345 8.379 1.00 0.00 C ATOM 435 CG ASP B 8 5.394 10.072 9.466 1.00 0.00 C ATOM 436 OD1 ASP B 8 4.989 9.414 10.447 1.00 0.00 O ATOM 437 OD2 ASP B 8 5.198 11.299 9.336 1.00 0.00 O ATOM 0 H ASP B 8 5.912 8.529 5.315 1.00 0.00 H new ATOM 0 HA ASP B 8 4.587 8.036 7.728 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.732 8.530 8.825 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.882 10.028 7.928 1.00 0.00 H new ATOM 442 N ASP B 9 4.811 10.435 5.561 1.00 0.00 N ATOM 443 CA ASP B 9 4.080 11.511 4.902 1.00 0.00 C ATOM 444 C ASP B 9 3.655 11.102 3.495 1.00 0.00 C ATOM 445 O ASP B 9 4.479 10.670 2.689 1.00 0.00 O ATOM 446 CB ASP B 9 4.941 12.776 4.839 1.00 0.00 C ATOM 447 CG ASP B 9 5.350 13.269 6.213 1.00 0.00 C ATOM 448 OD1 ASP B 9 4.602 14.079 6.800 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.419 12.846 6.701 1.00 0.00 O ATOM 0 H ASP B 9 5.656 10.139 5.073 1.00 0.00 H new ATOM 0 HA ASP B 9 3.183 11.717 5.486 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.834 12.574 4.248 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.389 13.562 4.324 1.00 0.00 H new ATOM 454 N ALA B 10 2.363 11.241 3.209 1.00 0.00 N ATOM 455 CA ALA B 10 1.829 10.890 1.898 1.00 0.00 C ATOM 456 C ALA B 10 2.371 11.823 0.822 1.00 0.00 C ATOM 457 O ALA B 10 2.638 11.402 -0.304 1.00 0.00 O ATOM 458 CB ALA B 10 0.308 10.930 1.920 1.00 0.00 C ATOM 0 H ALA B 10 1.668 11.594 3.867 1.00 0.00 H new ATOM 0 HA ALA B 10 2.149 9.876 1.659 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -0.077 10.666 0.935 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.064 10.219 2.658 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.026 11.934 2.183 1.00 0.00 H new ATOM 464 N ASP B 11 2.530 13.094 1.177 1.00 0.00 N ATOM 465 CA ASP B 11 3.045 14.092 0.245 1.00 0.00 C ATOM 466 C ASP B 11 4.489 13.783 -0.135 1.00 0.00 C ATOM 467 O ASP B 11 4.923 14.066 -1.250 1.00 0.00 O ATOM 468 CB ASP B 11 2.953 15.488 0.859 1.00 0.00 C ATOM 469 CG ASP B 11 3.538 16.557 -0.044 1.00 0.00 C ATOM 470 OD1 ASP B 11 4.719 16.916 0.149 1.00 0.00 O ATOM 471 OD2 ASP B 11 2.816 17.034 -0.944 1.00 0.00 O ATOM 0 H ASP B 11 2.310 13.458 2.104 1.00 0.00 H new ATOM 0 HA ASP B 11 2.436 14.061 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.909 15.723 1.066 1.00 0.00 H new ATOM 0 HB3 ASP B 11 3.477 15.497 1.815 1.00 0.00 H new ATOM 476 N ASP B 12 5.229 13.200 0.804 1.00 0.00 N ATOM 477 CA ASP B 12 6.625 12.853 0.571 1.00 0.00 C ATOM 478 C ASP B 12 6.737 11.594 -0.284 1.00 0.00 C ATOM 479 O ASP B 12 7.824 11.231 -0.732 1.00 0.00 O ATOM 480 CB ASP B 12 7.349 12.646 1.903 1.00 0.00 C ATOM 481 CG ASP B 12 8.836 12.406 1.723 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.245 11.228 1.645 1.00 0.00 O ATOM 483 OD2 ASP B 12 9.593 13.398 1.659 1.00 0.00 O ATOM 0 H ASP B 12 4.884 12.958 1.733 1.00 0.00 H new ATOM 0 HA ASP B 12 7.095 13.677 0.034 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.199 13.522 2.535 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.908 11.797 2.425 1.00 0.00 H new ATOM 488 N CYS B 13 5.604 10.932 -0.506 1.00 0.00 N ATOM 489 CA CYS B 13 5.578 9.715 -1.305 1.00 0.00 C ATOM 490 C CYS B 13 5.482 10.039 -2.793 1.00 0.00 C ATOM 491 O CYS B 13 4.747 10.938 -3.200 1.00 0.00 O ATOM 492 CB CYS B 13 4.410 8.823 -0.884 1.00 0.00 C ATOM 493 SG CYS B 13 4.569 8.146 0.801 1.00 0.00 S ATOM 0 H CYS B 13 4.695 11.219 -0.144 1.00 0.00 H new ATOM 0 HA CYS B 13 6.511 9.179 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.485 9.397 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.323 7.997 -1.590 1.00 0.00 H new ATOM 498 N SER B 14 6.231 9.292 -3.593 1.00 0.00 N ATOM 499 CA SER B 14 6.251 9.481 -5.038 1.00 0.00 C ATOM 500 C SER B 14 6.684 8.192 -5.728 1.00 0.00 C ATOM 501 O SER B 14 7.213 7.295 -5.075 1.00 0.00 O ATOM 502 CB SER B 14 7.216 10.607 -5.403 1.00 0.00 C ATOM 503 OG SER B 14 6.971 11.766 -4.625 1.00 0.00 O ATOM 0 H SER B 14 6.838 8.542 -3.262 1.00 0.00 H new ATOM 0 HA SER B 14 5.248 9.745 -5.372 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.242 10.274 -5.250 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.114 10.848 -6.461 1.00 0.00 H new ATOM 0 HG SER B 14 7.604 12.470 -4.879 1.00 0.00 H new ATOM 509 N PRO B 15 6.453 8.067 -7.051 1.00 0.00 N ATOM 510 CA PRO B 15 6.851 6.873 -7.802 1.00 0.00 C ATOM 511 C PRO B 15 8.350 6.621 -7.694 1.00 0.00 C ATOM 512 O PRO B 15 9.120 6.963 -8.590 1.00 0.00 O ATOM 513 CB PRO B 15 6.463 7.192 -9.248 1.00 0.00 C ATOM 514 CG PRO B 15 6.261 8.669 -9.287 1.00 0.00 C ATOM 515 CD PRO B 15 5.793 9.060 -7.915 1.00 0.00 C ATOM 0 HA PRO B 15 6.369 5.972 -7.422 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.245 6.884 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.555 6.663 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO B 15 7.187 9.183 -9.544 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.525 8.942 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.089 10.078 -7.661 1.00 0.00 H new ATOM 0 HD3 PRO B 15 4.707 9.013 -7.829 1.00 0.00 H new ATOM 523 N LEU B 16 8.748 6.026 -6.580 1.00 0.00 N ATOM 524 CA LEU B 16 10.145 5.731 -6.310 1.00 0.00 C ATOM 525 C LEU B 16 10.603 4.455 -7.006 1.00 0.00 C ATOM 526 O LEU B 16 9.855 3.481 -7.100 1.00 0.00 O ATOM 527 CB LEU B 16 10.358 5.599 -4.802 1.00 0.00 C ATOM 528 CG LEU B 16 11.788 5.269 -4.386 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.733 6.346 -4.886 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.886 5.122 -2.874 1.00 0.00 C ATOM 0 H LEU B 16 8.111 5.734 -5.838 1.00 0.00 H new ATOM 0 HA LEU B 16 10.741 6.555 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.061 6.533 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.695 4.822 -4.422 1.00 0.00 H new ATOM 0 HG LEU B 16 12.075 4.318 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU B 16 13.752 6.104 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.679 6.401 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.447 7.307 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.914 4.887 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.587 6.055 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.228 4.318 -2.543 1.00 0.00 H new ATOM 542 N LYS B 17 11.838 4.473 -7.495 1.00 0.00 N ATOM 543 CA LYS B 17 12.415 3.318 -8.166 1.00 0.00 C ATOM 544 C LYS B 17 12.988 2.343 -7.144 1.00 0.00 C ATOM 545 O LYS B 17 14.095 2.535 -6.641 1.00 0.00 O ATOM 546 CB LYS B 17 13.501 3.765 -9.137 1.00 0.00 C ATOM 547 CG LYS B 17 12.968 4.620 -10.273 1.00 0.00 C ATOM 548 CD LYS B 17 14.065 5.469 -10.892 1.00 0.00 C ATOM 549 CE LYS B 17 15.113 4.615 -11.588 1.00 0.00 C ATOM 550 NZ LYS B 17 14.526 3.804 -12.691 1.00 0.00 N ATOM 0 H LYS B 17 12.460 5.279 -7.438 1.00 0.00 H new ATOM 0 HA LYS B 17 11.630 2.810 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.259 4.327 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.994 2.886 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.528 3.979 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.172 5.266 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.627 6.163 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.541 6.070 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS B 17 15.898 5.257 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS B 17 15.583 3.953 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 15.288 3.438 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 13.990 3.008 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 13.889 4.399 -13.258 1.00 0.00 H new ATOM 564 N LEU B 18 12.223 1.301 -6.841 1.00 0.00 N ATOM 565 CA LEU B 18 12.645 0.302 -5.868 1.00 0.00 C ATOM 566 C LEU B 18 13.490 -0.786 -6.513 1.00 0.00 C ATOM 567 O LEU B 18 13.913 -0.668 -7.663 1.00 0.00 O ATOM 568 CB LEU B 18 11.435 -0.330 -5.192 1.00 0.00 C ATOM 569 CG LEU B 18 11.318 -0.044 -3.700 1.00 0.00 C ATOM 570 CD1 LEU B 18 12.519 -0.596 -2.945 1.00 0.00 C ATOM 571 CD2 LEU B 18 11.162 1.448 -3.446 1.00 0.00 C ATOM 0 H LEU B 18 11.307 1.126 -7.255 1.00 0.00 H new ATOM 0 HA LEU B 18 13.253 0.814 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.532 0.025 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.476 -1.409 -5.339 1.00 0.00 H new ATOM 0 HG LEU B 18 10.425 -0.547 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU B 18 12.412 -0.379 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.576 -1.675 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU B 18 13.430 -0.130 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU B 18 11.080 1.628 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU B 18 12.031 1.977 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.263 1.810 -3.944 1.00 0.00 H new ATOM 583 N THR B 19 13.725 -1.850 -5.752 1.00 0.00 N ATOM 584 CA THR B 19 14.520 -2.976 -6.223 1.00 0.00 C ATOM 585 C THR B 19 14.389 -4.162 -5.274 1.00 0.00 C ATOM 586 O THR B 19 14.384 -3.995 -4.052 1.00 0.00 O ATOM 587 CB THR B 19 16.014 -2.619 -6.359 1.00 0.00 C ATOM 588 OG1 THR B 19 16.179 -1.200 -6.479 1.00 0.00 O ATOM 589 CG2 THR B 19 16.620 -3.304 -7.573 1.00 0.00 C ATOM 0 H THR B 19 13.373 -1.955 -4.800 1.00 0.00 H new ATOM 0 HA THR B 19 14.133 -3.236 -7.208 1.00 0.00 H new ATOM 0 HB THR B 19 16.528 -2.966 -5.463 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.604 -0.863 -7.198 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.674 -3.039 -7.651 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.524 -4.385 -7.467 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.097 -2.980 -8.473 1.00 0.00 H new ATOM 597 N GLN B 20 14.281 -5.357 -5.842 1.00 0.00 N ATOM 598 CA GLN B 20 14.154 -6.573 -5.049 1.00 0.00 C ATOM 599 C GLN B 20 15.319 -6.708 -4.076 1.00 0.00 C ATOM 600 O GLN B 20 16.477 -6.807 -4.486 1.00 0.00 O ATOM 601 CB GLN B 20 14.084 -7.795 -5.965 1.00 0.00 C ATOM 602 CG GLN B 20 12.824 -7.840 -6.812 1.00 0.00 C ATOM 603 CD GLN B 20 12.890 -8.885 -7.910 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.204 -8.621 -9.016 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 13.549 -9.916 -7.764 1.00 0.00 N flip ATOM 0 H GLN B 20 14.279 -5.510 -6.850 1.00 0.00 H new ATOM 0 HA GLN B 20 13.232 -6.512 -4.471 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.955 -7.799 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.138 -8.699 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.968 -8.048 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.657 -6.860 -7.259 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.060 -10.076 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.583 -10.610 -8.511 1.00 0.00 H new ATOM 614 N GLY B 21 15.005 -6.711 -2.784 1.00 0.00 N ATOM 615 CA GLY B 21 16.035 -6.823 -1.769 1.00 0.00 C ATOM 616 C GLY B 21 15.816 -5.857 -0.622 1.00 0.00 C ATOM 617 O GLY B 21 16.387 -6.023 0.457 1.00 0.00 O ATOM 0 H GLY B 21 14.054 -6.638 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.054 -7.843 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.009 -6.634 -2.220 1.00 0.00 H new ATOM 621 N GLN B 22 14.985 -4.844 -0.855 1.00 0.00 N ATOM 622 CA GLN B 22 14.682 -3.853 0.156 1.00 0.00 C ATOM 623 C GLN B 22 13.390 -4.212 0.868 1.00 0.00 C ATOM 624 O GLN B 22 12.621 -5.050 0.399 1.00 0.00 O ATOM 625 CB GLN B 22 14.546 -2.468 -0.478 1.00 0.00 C ATOM 626 CG GLN B 22 15.758 -2.042 -1.289 1.00 0.00 C ATOM 627 CD GLN B 22 15.629 -0.627 -1.820 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.911 0.216 -1.087 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 16.168 -0.296 -2.876 1.00 0.00 N flip ATOM 0 H GLN B 22 14.510 -4.694 -1.745 1.00 0.00 H new ATOM 0 HA GLN B 22 15.500 -3.836 0.877 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.668 -2.459 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.371 -1.734 0.309 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.651 -2.114 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.893 -2.730 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN B 22 16.711 -0.977 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN B 22 16.072 0.659 -3.220 1.00 0.00 H new ATOM 638 N GLU B 23 13.154 -3.565 1.992 1.00 0.00 N ATOM 639 CA GLU B 23 11.945 -3.815 2.774 1.00 0.00 C ATOM 640 C GLU B 23 11.143 -2.537 2.970 1.00 0.00 C ATOM 641 O GLU B 23 11.485 -1.485 2.431 1.00 0.00 O ATOM 642 CB GLU B 23 12.289 -4.395 4.146 1.00 0.00 C ATOM 643 CG GLU B 23 12.747 -5.832 4.119 1.00 0.00 C ATOM 644 CD GLU B 23 12.757 -6.468 5.495 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.722 -7.048 5.889 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.799 -6.389 6.179 1.00 0.00 O ATOM 0 H GLU B 23 13.778 -2.862 2.389 1.00 0.00 H new ATOM 0 HA GLU B 23 11.347 -4.534 2.215 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.071 -3.786 4.599 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.413 -4.318 4.789 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.092 -6.406 3.463 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.749 -5.882 3.693 1.00 0.00 H new ATOM 653 N LEU B 24 10.072 -2.642 3.748 1.00 0.00 N ATOM 654 CA LEU B 24 9.228 -1.498 4.040 1.00 0.00 C ATOM 655 C LEU B 24 8.350 -1.774 5.254 1.00 0.00 C ATOM 656 O LEU B 24 7.323 -2.445 5.155 1.00 0.00 O ATOM 657 CB LEU B 24 8.366 -1.135 2.832 1.00 0.00 C ATOM 658 CG LEU B 24 7.909 0.324 2.795 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.498 0.719 1.383 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.767 0.557 3.772 1.00 0.00 C ATOM 0 H LEU B 24 9.770 -3.512 4.187 1.00 0.00 H new ATOM 0 HA LEU B 24 9.875 -0.651 4.266 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.928 -1.350 1.923 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.486 -1.779 2.823 1.00 0.00 H new ATOM 0 HG LEU B 24 8.747 0.952 3.098 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.176 1.760 1.376 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.346 0.597 0.710 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.677 0.083 1.052 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.458 1.601 3.729 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.925 -0.082 3.506 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.098 0.318 4.783 1.00 0.00 H new ATOM 672 N VAL B 25 8.774 -1.254 6.399 1.00 0.00 N ATOM 673 CA VAL B 25 8.036 -1.430 7.642 1.00 0.00 C ATOM 674 C VAL B 25 7.491 -0.094 8.134 1.00 0.00 C ATOM 675 O VAL B 25 8.206 0.687 8.763 1.00 0.00 O ATOM 676 CB VAL B 25 8.924 -2.063 8.732 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.168 -2.169 10.049 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.427 -3.431 8.286 1.00 0.00 C ATOM 0 H VAL B 25 9.629 -0.705 6.492 1.00 0.00 H new ATOM 0 HA VAL B 25 7.203 -2.104 7.440 1.00 0.00 H new ATOM 0 HB VAL B 25 9.787 -1.416 8.888 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.813 -2.618 10.804 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.865 -1.174 10.376 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.283 -2.791 9.912 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.052 -3.862 9.068 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.577 -4.087 8.098 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.012 -3.324 7.373 1.00 0.00 H new ATOM 688 N LEU B 26 6.222 0.162 7.839 1.00 0.00 N ATOM 689 CA LEU B 26 5.577 1.409 8.233 1.00 0.00 C ATOM 690 C LEU B 26 4.918 1.276 9.604 1.00 0.00 C ATOM 691 O LEU B 26 4.637 0.170 10.062 1.00 0.00 O ATOM 692 CB LEU B 26 4.534 1.811 7.188 1.00 0.00 C ATOM 693 CG LEU B 26 4.150 3.292 7.183 1.00 0.00 C ATOM 694 CD1 LEU B 26 5.355 4.153 6.828 1.00 0.00 C ATOM 695 CD2 LEU B 26 3.010 3.542 6.209 1.00 0.00 C ATOM 0 H LEU B 26 5.617 -0.480 7.326 1.00 0.00 H new ATOM 0 HA LEU B 26 6.341 2.183 8.296 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.913 1.548 6.201 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.633 1.220 7.352 1.00 0.00 H new ATOM 0 HG LEU B 26 3.814 3.566 8.183 1.00 0.00 H new ATOM 0 HD11 LEU B 26 5.064 5.204 6.829 1.00 0.00 H new ATOM 0 HD12 LEU B 26 6.145 3.994 7.562 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.720 3.878 5.838 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.749 4.600 6.218 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.320 3.253 5.205 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.143 2.952 6.505 1.00 0.00 H new ATOM 707 N THR B 27 4.678 2.412 10.254 1.00 0.00 N ATOM 708 CA THR B 27 4.052 2.417 11.574 1.00 0.00 C ATOM 709 C THR B 27 3.300 3.722 11.823 1.00 0.00 C ATOM 710 O THR B 27 3.895 4.802 11.832 1.00 0.00 O ATOM 711 CB THR B 27 5.096 2.219 12.690 1.00 0.00 C ATOM 712 OG1 THR B 27 5.813 0.998 12.480 1.00 0.00 O ATOM 713 CG2 THR B 27 4.430 2.192 14.058 1.00 0.00 C ATOM 0 H THR B 27 4.906 3.337 9.890 1.00 0.00 H new ATOM 0 HA THR B 27 3.347 1.586 11.593 1.00 0.00 H new ATOM 0 HB THR B 27 5.791 3.058 12.658 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.475 0.881 13.193 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.188 2.051 14.829 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.910 3.135 14.228 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.715 1.371 14.098 1.00 0.00 H new ATOM 721 N LEU B 28 1.989 3.617 12.024 1.00 0.00 N ATOM 722 CA LEU B 28 1.153 4.786 12.276 1.00 0.00 C ATOM 723 C LEU B 28 0.561 4.738 13.682 1.00 0.00 C ATOM 724 O LEU B 28 0.327 3.659 14.227 1.00 0.00 O ATOM 725 CB LEU B 28 0.024 4.876 11.242 1.00 0.00 C ATOM 726 CG LEU B 28 0.444 5.291 9.827 1.00 0.00 C ATOM 727 CD1 LEU B 28 1.180 6.624 9.853 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.306 4.216 9.180 1.00 0.00 C ATOM 0 H LEU B 28 1.482 2.732 12.017 1.00 0.00 H new ATOM 0 HA LEU B 28 1.783 5.671 12.191 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.468 3.905 11.184 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.718 5.588 11.604 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.459 5.409 9.228 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.469 6.900 8.839 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.526 7.392 10.266 1.00 0.00 H new ATOM 0 HD13 LEU B 28 2.072 6.535 10.473 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.591 4.533 8.177 1.00 0.00 H new ATOM 0 HD22 LEU B 28 2.202 4.059 9.780 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.742 3.285 9.119 1.00 0.00 H new ATOM 740 N PRO B 29 0.309 5.912 14.292 1.00 0.00 N ATOM 741 CA PRO B 29 -0.262 5.996 15.634 1.00 0.00 C ATOM 742 C PRO B 29 -1.783 5.870 15.624 1.00 0.00 C ATOM 743 O PRO B 29 -2.480 6.691 15.027 1.00 0.00 O ATOM 744 CB PRO B 29 0.159 7.389 16.094 1.00 0.00 C ATOM 745 CG PRO B 29 0.227 8.200 14.845 1.00 0.00 C ATOM 746 CD PRO B 29 0.564 7.250 13.722 1.00 0.00 C ATOM 0 HA PRO B 29 0.082 5.191 16.284 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.561 7.807 16.798 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.123 7.363 16.601 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.724 8.699 14.656 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.984 8.979 14.932 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.056 7.434 12.845 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.602 7.358 13.407 1.00 0.00 H new ATOM 754 N SER B 30 -2.291 4.837 16.289 1.00 0.00 N ATOM 755 CA SER B 30 -3.730 4.605 16.353 1.00 0.00 C ATOM 756 C SER B 30 -4.104 3.845 17.621 1.00 0.00 C ATOM 757 O SER B 30 -3.683 2.705 17.820 1.00 0.00 O ATOM 758 CB SER B 30 -4.196 3.824 15.122 1.00 0.00 C ATOM 759 OG SER B 30 -3.547 2.567 15.040 1.00 0.00 O ATOM 0 H SER B 30 -1.729 4.149 16.790 1.00 0.00 H new ATOM 0 HA SER B 30 -4.228 5.574 16.372 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.275 3.677 15.167 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.991 4.402 14.221 1.00 0.00 H new ATOM 0 HG SER B 30 -3.431 2.199 15.941 1.00 0.00 H new ATOM 765 N ASN B 31 -4.896 4.486 18.477 1.00 0.00 N ATOM 766 CA ASN B 31 -5.326 3.869 19.728 1.00 0.00 C ATOM 767 C ASN B 31 -6.321 2.740 19.459 1.00 0.00 C ATOM 768 O ASN B 31 -7.291 2.924 18.720 1.00 0.00 O ATOM 769 CB ASN B 31 -5.961 4.916 20.647 1.00 0.00 C ATOM 770 CG ASN B 31 -4.986 6.006 21.045 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.067 6.339 20.296 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.181 6.568 22.232 1.00 0.00 N ATOM 0 H ASN B 31 -5.252 5.430 18.327 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.448 3.450 20.221 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.817 5.365 20.144 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.339 4.426 21.544 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.556 7.307 22.555 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.956 6.261 22.821 1.00 0.00 H new ATOM 779 N PRO B 32 -6.098 1.552 20.052 1.00 0.00 N ATOM 780 CA PRO B 32 -6.982 0.395 19.870 1.00 0.00 C ATOM 781 C PRO B 32 -8.265 0.502 20.690 1.00 0.00 C ATOM 782 O PRO B 32 -9.033 -0.455 20.783 1.00 0.00 O ATOM 783 CB PRO B 32 -6.126 -0.763 20.368 1.00 0.00 C ATOM 784 CG PRO B 32 -5.309 -0.149 21.440 1.00 0.00 C ATOM 785 CD PRO B 32 -4.967 1.230 20.949 1.00 0.00 C ATOM 0 HA PRO B 32 -7.320 0.292 18.839 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.738 -1.581 20.748 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.503 -1.173 19.573 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.863 -0.105 22.378 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.408 -0.732 21.629 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.887 1.943 21.770 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.014 1.245 20.419 1.00 0.00 H new ATOM 793 N THR B 33 -8.489 1.672 21.280 1.00 0.00 N ATOM 794 CA THR B 33 -9.678 1.902 22.092 1.00 0.00 C ATOM 795 C THR B 33 -10.600 2.933 21.444 1.00 0.00 C ATOM 796 O THR B 33 -11.560 3.395 22.062 1.00 0.00 O ATOM 797 CB THR B 33 -9.307 2.385 23.508 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.575 3.613 23.431 1.00 0.00 O ATOM 799 CG2 THR B 33 -8.475 1.337 24.235 1.00 0.00 C ATOM 0 H THR B 33 -7.863 2.475 21.211 1.00 0.00 H new ATOM 0 HA THR B 33 -10.198 0.947 22.164 1.00 0.00 H new ATOM 0 HB THR B 33 -10.229 2.547 24.067 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.345 3.914 24.335 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.224 1.699 25.232 1.00 0.00 H new ATOM 0 HG22 THR B 33 -9.046 0.412 24.317 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.558 1.149 23.676 1.00 0.00 H new ATOM 807 N THR B 34 -10.303 3.284 20.197 1.00 0.00 N ATOM 808 CA THR B 34 -11.107 4.261 19.469 1.00 0.00 C ATOM 809 C THR B 34 -12.132 3.577 18.571 1.00 0.00 C ATOM 810 O THR B 34 -13.328 3.588 18.860 1.00 0.00 O ATOM 811 CB THR B 34 -10.224 5.190 18.615 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.385 4.416 17.749 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.365 6.082 19.496 1.00 0.00 C ATOM 0 H THR B 34 -9.514 2.908 19.670 1.00 0.00 H new ATOM 0 HA THR B 34 -11.631 4.857 20.216 1.00 0.00 H new ATOM 0 HB THR B 34 -10.879 5.821 18.014 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.661 4.011 18.271 1.00 0.00 H new ATOM 0 HG21 THR B 34 -8.750 6.729 18.870 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.007 6.694 20.130 1.00 0.00 H new ATOM 0 HG23 THR B 34 -8.721 5.464 20.121 1.00 0.00 H new ATOM 821 N GLY B 35 -11.660 2.980 17.479 1.00 0.00 N ATOM 822 CA GLY B 35 -12.550 2.303 16.558 1.00 0.00 C ATOM 823 C GLY B 35 -12.123 2.492 15.118 1.00 0.00 C ATOM 824 O GLY B 35 -12.405 1.654 14.262 1.00 0.00 O ATOM 0 H GLY B 35 -10.674 2.955 17.218 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.574 1.239 16.793 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.564 2.681 16.689 1.00 0.00 H new ATOM 828 N PHE B 36 -11.440 3.601 14.852 1.00 0.00 N ATOM 829 CA PHE B 36 -10.965 3.906 13.513 1.00 0.00 C ATOM 830 C PHE B 36 -9.538 3.411 13.314 1.00 0.00 C ATOM 831 O PHE B 36 -8.580 4.034 13.769 1.00 0.00 O ATOM 832 CB PHE B 36 -11.031 5.409 13.261 1.00 0.00 C ATOM 833 CG PHE B 36 -12.384 5.893 12.812 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.522 5.593 13.543 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.512 6.646 11.656 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.764 6.037 13.128 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.750 7.095 11.236 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.879 6.788 11.974 1.00 0.00 C ATOM 0 H PHE B 36 -11.204 4.304 15.552 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.610 3.393 12.800 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.753 5.933 14.175 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.292 5.674 12.505 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.438 5.006 14.446 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.633 6.885 11.076 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.644 5.797 13.706 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.836 7.684 10.335 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.849 7.135 11.649 1.00 0.00 H new ATOM 848 N ARG B 37 -9.412 2.280 12.638 1.00 0.00 N ATOM 849 CA ARG B 37 -8.107 1.691 12.356 1.00 0.00 C ATOM 850 C ARG B 37 -7.609 2.118 10.980 1.00 0.00 C ATOM 851 O ARG B 37 -8.007 3.161 10.462 1.00 0.00 O ATOM 852 CB ARG B 37 -8.183 0.166 12.428 1.00 0.00 C ATOM 853 CG ARG B 37 -7.954 -0.398 13.823 1.00 0.00 C ATOM 854 CD ARG B 37 -9.046 0.030 14.790 1.00 0.00 C ATOM 855 NE ARG B 37 -8.838 -0.519 16.128 1.00 0.00 N ATOM 856 CZ ARG B 37 -9.826 -0.789 16.976 1.00 0.00 C ATOM 857 NH1 ARG B 37 -11.086 -0.564 16.628 1.00 0.00 N ATOM 858 NH2 ARG B 37 -9.554 -1.287 18.175 1.00 0.00 N ATOM 0 H ARG B 37 -10.201 1.747 12.272 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.405 2.048 13.109 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.162 -0.156 12.073 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.442 -0.257 11.750 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.918 -1.486 13.774 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.986 -0.063 14.196 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -9.075 1.118 14.845 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -10.014 -0.296 14.411 1.00 0.00 H new ATOM 0 HE ARG B 37 -7.881 -0.706 16.428 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -11.300 -0.182 15.707 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -11.841 -0.773 17.282 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -8.587 -1.463 18.447 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -10.312 -1.494 18.825 1.00 0.00 H new ATOM 872 N TRP B 38 -6.735 1.306 10.394 1.00 0.00 N ATOM 873 CA TRP B 38 -6.188 1.601 9.076 1.00 0.00 C ATOM 874 C TRP B 38 -6.431 0.442 8.115 1.00 0.00 C ATOM 875 O TRP B 38 -6.063 -0.699 8.395 1.00 0.00 O ATOM 876 CB TRP B 38 -4.691 1.902 9.174 1.00 0.00 C ATOM 877 CG TRP B 38 -4.387 3.154 9.943 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.155 3.255 11.285 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.285 4.482 9.416 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.913 4.565 11.624 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.989 5.338 10.495 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.416 5.033 8.136 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.821 6.711 10.332 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.249 6.396 7.977 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.955 7.222 9.069 1.00 0.00 C ATOM 0 H TRP B 38 -6.391 0.441 10.810 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.698 2.482 8.687 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.189 1.060 9.650 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.279 1.992 8.169 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.161 2.427 11.978 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.710 4.906 12.563 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.643 4.404 7.288 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.593 7.350 11.172 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.347 6.831 6.994 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.832 8.283 8.912 1.00 0.00 H new ATOM 896 N GLU B 39 -7.055 0.745 6.979 1.00 0.00 N ATOM 897 CA GLU B 39 -7.357 -0.271 5.976 1.00 0.00 C ATOM 898 C GLU B 39 -6.409 -0.171 4.784 1.00 0.00 C ATOM 899 O GLU B 39 -5.772 0.860 4.568 1.00 0.00 O ATOM 900 CB GLU B 39 -8.804 -0.131 5.505 1.00 0.00 C ATOM 901 CG GLU B 39 -9.827 -0.321 6.615 1.00 0.00 C ATOM 902 CD GLU B 39 -9.781 -1.712 7.217 1.00 0.00 C ATOM 903 OE1 GLU B 39 -10.509 -2.597 6.723 1.00 0.00 O ATOM 904 OE2 GLU B 39 -9.013 -1.917 8.182 1.00 0.00 O ATOM 0 H GLU B 39 -7.361 1.686 6.731 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.221 -1.249 6.437 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -8.939 0.856 5.063 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -8.994 -0.862 4.719 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.649 0.416 7.398 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.825 -0.132 6.220 1.00 0.00 H new ATOM 911 N LEU B 40 -6.325 -1.254 4.014 1.00 0.00 N ATOM 912 CA LEU B 40 -5.455 -1.299 2.841 1.00 0.00 C ATOM 913 C LEU B 40 -6.269 -1.390 1.553 1.00 0.00 C ATOM 914 O LEU B 40 -6.886 -2.415 1.269 1.00 0.00 O ATOM 915 CB LEU B 40 -4.504 -2.495 2.929 1.00 0.00 C ATOM 916 CG LEU B 40 -3.249 -2.273 3.776 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.563 -3.598 4.066 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.294 -1.321 3.071 1.00 0.00 C ATOM 0 H LEU B 40 -6.849 -2.113 4.182 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.877 -0.375 2.822 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.052 -3.344 3.337 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.197 -2.769 1.920 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.546 -1.824 4.724 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.672 -3.422 4.669 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.247 -4.250 4.610 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.278 -4.073 3.127 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.407 -1.174 3.687 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.003 -1.744 2.110 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.788 -0.363 2.911 1.00 0.00 H new ATOM 930 N ARG B 41 -6.269 -0.307 0.781 1.00 0.00 N ATOM 931 CA ARG B 41 -6.994 -0.271 -0.485 1.00 0.00 C ATOM 932 C ARG B 41 -6.133 -0.850 -1.601 1.00 0.00 C ATOM 933 O ARG B 41 -6.622 -1.147 -2.693 1.00 0.00 O ATOM 934 CB ARG B 41 -7.405 1.163 -0.826 1.00 0.00 C ATOM 935 CG ARG B 41 -8.363 1.780 0.181 1.00 0.00 C ATOM 936 CD ARG B 41 -9.713 1.081 0.172 1.00 0.00 C ATOM 937 NE ARG B 41 -10.362 1.162 -1.134 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.623 0.803 -1.355 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.369 0.341 -0.360 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.140 0.905 -2.573 1.00 0.00 N ATOM 0 H ARG B 41 -5.776 0.556 1.010 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.895 -0.876 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.510 1.783 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.871 1.173 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.929 1.722 1.179 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.499 2.837 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.581 0.035 0.447 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.359 1.530 0.926 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.817 1.514 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.976 0.260 0.578 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.336 0.066 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.570 1.259 -3.341 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -13.108 0.629 -2.741 1.00 0.00 H new ATOM 954 N ASN B 42 -4.844 -1.005 -1.313 1.00 0.00 N ATOM 955 CA ASN B 42 -3.894 -1.553 -2.273 1.00 0.00 C ATOM 956 C ASN B 42 -2.614 -1.992 -1.559 1.00 0.00 C ATOM 957 O ASN B 42 -1.670 -1.214 -1.430 1.00 0.00 O ATOM 958 CB ASN B 42 -3.568 -0.515 -3.353 1.00 0.00 C ATOM 959 CG ASN B 42 -2.701 -1.075 -4.465 1.00 0.00 C ATOM 960 OD1 ASN B 42 -1.932 -2.015 -4.259 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.818 -0.497 -5.655 1.00 0.00 N ATOM 0 H ASN B 42 -4.432 -0.756 -0.414 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.345 -2.423 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.497 -0.137 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.059 0.333 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.259 -0.829 -6.441 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.467 0.279 -5.783 1.00 0.00 H new ATOM 968 N PRO B 43 -2.576 -3.248 -1.077 1.00 0.00 N ATOM 969 CA PRO B 43 -1.411 -3.786 -0.362 1.00 0.00 C ATOM 970 C PRO B 43 -0.233 -4.078 -1.286 1.00 0.00 C ATOM 971 O PRO B 43 0.778 -4.637 -0.856 1.00 0.00 O ATOM 972 CB PRO B 43 -1.943 -5.084 0.245 1.00 0.00 C ATOM 973 CG PRO B 43 -3.032 -5.510 -0.677 1.00 0.00 C ATOM 974 CD PRO B 43 -3.660 -4.244 -1.188 1.00 0.00 C ATOM 0 HA PRO B 43 -1.023 -3.077 0.369 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -1.161 -5.840 0.311 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -2.319 -4.924 1.256 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.637 -6.108 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.765 -6.127 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -4.000 -4.353 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.528 -3.959 -0.594 1.00 0.00 H new ATOM 982 N ALA B 44 -0.366 -3.699 -2.554 1.00 0.00 N ATOM 983 CA ALA B 44 0.690 -3.927 -3.534 1.00 0.00 C ATOM 984 C ALA B 44 1.035 -5.408 -3.630 1.00 0.00 C ATOM 985 O ALA B 44 2.157 -5.776 -3.978 1.00 0.00 O ATOM 986 CB ALA B 44 1.930 -3.119 -3.176 1.00 0.00 C ATOM 0 H ALA B 44 -1.194 -3.233 -2.926 1.00 0.00 H new ATOM 0 HA ALA B 44 0.325 -3.598 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.709 -3.300 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.681 -2.058 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.289 -3.420 -2.192 1.00 0.00 H new ATOM 992 N ALA B 45 0.058 -6.258 -3.329 1.00 0.00 N ATOM 993 CA ALA B 45 0.254 -7.703 -3.377 1.00 0.00 C ATOM 994 C ALA B 45 0.582 -8.174 -4.792 1.00 0.00 C ATOM 995 O ALA B 45 0.854 -9.353 -5.016 1.00 0.00 O ATOM 996 CB ALA B 45 -0.984 -8.417 -2.855 1.00 0.00 C ATOM 0 H ALA B 45 -0.880 -5.970 -3.049 1.00 0.00 H new ATOM 0 HA ALA B 45 1.103 -7.949 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.827 -9.495 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -1.170 -8.116 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.843 -8.153 -3.471 1.00 0.00 H new ATOM 1002 N SER B 46 0.554 -7.245 -5.743 1.00 0.00 N ATOM 1003 CA SER B 46 0.848 -7.566 -7.136 1.00 0.00 C ATOM 1004 C SER B 46 2.349 -7.731 -7.359 1.00 0.00 C ATOM 1005 O SER B 46 2.774 -8.538 -8.188 1.00 0.00 O ATOM 1006 CB SER B 46 0.301 -6.474 -8.057 1.00 0.00 C ATOM 1007 OG SER B 46 -1.103 -6.344 -7.920 1.00 0.00 O ATOM 0 H SER B 46 0.331 -6.264 -5.575 1.00 0.00 H new ATOM 0 HA SER B 46 0.362 -8.512 -7.372 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.781 -5.524 -7.824 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.548 -6.710 -9.092 1.00 0.00 H new ATOM 0 HG SER B 46 -1.426 -5.638 -8.518 1.00 0.00 H new ATOM 1013 N VAL B 47 3.147 -6.966 -6.620 1.00 0.00 N ATOM 1014 CA VAL B 47 4.599 -7.034 -6.749 1.00 0.00 C ATOM 1015 C VAL B 47 5.276 -7.180 -5.388 1.00 0.00 C ATOM 1016 O VAL B 47 6.243 -7.927 -5.243 1.00 0.00 O ATOM 1017 CB VAL B 47 5.159 -5.788 -7.467 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.490 -5.611 -8.822 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.982 -4.540 -6.614 1.00 0.00 C ATOM 0 H VAL B 47 2.814 -6.294 -5.928 1.00 0.00 H new ATOM 0 HA VAL B 47 4.819 -7.918 -7.348 1.00 0.00 H new ATOM 0 HB VAL B 47 6.227 -5.938 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.896 -4.728 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.678 -6.490 -9.438 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.416 -5.488 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.385 -3.677 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.922 -4.382 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.512 -4.666 -5.670 1.00 0.00 H new ATOM 1029 N LEU B 48 4.765 -6.461 -4.394 1.00 0.00 N ATOM 1030 CA LEU B 48 5.322 -6.510 -3.047 1.00 0.00 C ATOM 1031 C LEU B 48 4.893 -7.783 -2.322 1.00 0.00 C ATOM 1032 O LEU B 48 3.868 -8.381 -2.650 1.00 0.00 O ATOM 1033 CB LEU B 48 4.891 -5.279 -2.244 1.00 0.00 C ATOM 1034 CG LEU B 48 5.580 -3.967 -2.642 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.117 -2.830 -1.742 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.094 -4.110 -2.580 1.00 0.00 C ATOM 0 H LEU B 48 3.965 -5.837 -4.496 1.00 0.00 H new ATOM 0 HA LEU B 48 6.409 -6.514 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.814 -5.153 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.085 -5.467 -1.188 1.00 0.00 H new ATOM 0 HG LEU B 48 5.301 -3.734 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.615 -1.906 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.038 -2.707 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.366 -3.061 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.561 -3.167 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.394 -4.370 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.414 -4.896 -3.265 1.00 0.00 H new ATOM 1048 N LYS B 49 5.688 -8.187 -1.336 1.00 0.00 N ATOM 1049 CA LYS B 49 5.399 -9.386 -0.561 1.00 0.00 C ATOM 1050 C LYS B 49 5.568 -9.110 0.933 1.00 0.00 C ATOM 1051 O LYS B 49 5.563 -7.954 1.357 1.00 0.00 O ATOM 1052 CB LYS B 49 6.316 -10.530 -1.006 1.00 0.00 C ATOM 1053 CG LYS B 49 5.743 -11.911 -0.742 1.00 0.00 C ATOM 1054 CD LYS B 49 5.883 -12.800 -1.962 1.00 0.00 C ATOM 1055 CE LYS B 49 4.880 -12.418 -3.041 1.00 0.00 C ATOM 1056 NZ LYS B 49 3.487 -12.773 -2.655 1.00 0.00 N ATOM 0 H LYS B 49 6.539 -7.700 -1.055 1.00 0.00 H new ATOM 0 HA LYS B 49 4.364 -9.679 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.518 -10.428 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.272 -10.439 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.257 -12.366 0.105 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.691 -11.826 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.895 -12.721 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS B 49 5.734 -13.841 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS B 49 4.942 -11.347 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS B 49 5.139 -12.923 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.874 -12.737 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.471 -13.733 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.141 -12.097 -1.945 1.00 0.00 H new ATOM 1070 N ARG B 50 5.708 -10.169 1.727 1.00 0.00 N ATOM 1071 CA ARG B 50 5.871 -10.030 3.171 1.00 0.00 C ATOM 1072 C ARG B 50 4.668 -9.315 3.781 1.00 0.00 C ATOM 1073 O ARG B 50 4.738 -8.789 4.892 1.00 0.00 O ATOM 1074 CB ARG B 50 7.174 -9.290 3.488 1.00 0.00 C ATOM 1075 CG ARG B 50 7.565 -9.303 4.962 1.00 0.00 C ATOM 1076 CD ARG B 50 7.995 -10.688 5.422 1.00 0.00 C ATOM 1077 NE ARG B 50 6.871 -11.615 5.513 1.00 0.00 N ATOM 1078 CZ ARG B 50 7.004 -12.914 5.773 1.00 0.00 C ATOM 1079 NH1 ARG B 50 8.208 -13.435 5.967 1.00 0.00 N ATOM 1080 NH2 ARG B 50 5.931 -13.691 5.838 1.00 0.00 N ATOM 0 H ARG B 50 5.712 -11.133 1.394 1.00 0.00 H new ATOM 0 HA ARG B 50 5.928 -11.024 3.615 1.00 0.00 H new ATOM 0 HB2 ARG B 50 7.981 -9.736 2.907 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.079 -8.255 3.159 1.00 0.00 H new ATOM 0 HG2 ARG B 50 8.378 -8.596 5.128 1.00 0.00 H new ATOM 0 HG3 ARG B 50 6.722 -8.966 5.564 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.736 -11.085 4.728 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.479 -10.611 6.395 1.00 0.00 H new ATOM 0 HE ARG B 50 5.931 -11.247 5.369 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.035 -12.840 5.917 1.00 0.00 H new ATOM 0 HH12 ARG B 50 8.307 -14.430 6.166 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.004 -13.293 5.689 1.00 0.00 H new ATOM 0 HH22 ARG B 50 6.033 -14.686 6.037 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.294 0.519 18.574 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.177 1.208 17.294 1.00 0.00 C ATOM 1351 C GLU B 71 -0.152 0.209 16.141 1.00 0.00 C ATOM 1352 O GLU B 71 0.337 -0.911 16.289 1.00 0.00 O ATOM 1353 CB GLU B 71 1.086 2.070 17.265 1.00 0.00 C ATOM 1354 CG GLU B 71 1.080 3.195 18.285 1.00 0.00 C ATOM 1355 CD GLU B 71 2.350 4.026 18.247 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.306 3.682 18.975 1.00 0.00 O ATOM 1357 OE2 GLU B 71 2.388 5.016 17.487 1.00 0.00 O ATOM 0 HA GLU B 71 -1.048 1.852 17.176 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.953 1.434 17.443 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.202 2.496 16.268 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.222 3.842 18.102 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.955 2.775 19.283 1.00 0.00 H new ATOM 1364 N SER B 72 -0.680 0.624 14.992 1.00 0.00 N ATOM 1365 CA SER B 72 -0.713 -0.234 13.814 1.00 0.00 C ATOM 1366 C SER B 72 0.700 -0.560 13.340 1.00 0.00 C ATOM 1367 O SER B 72 1.626 0.226 13.538 1.00 0.00 O ATOM 1368 CB SER B 72 -1.499 0.441 12.687 1.00 0.00 C ATOM 1369 OG SER B 72 -2.837 0.699 13.081 1.00 0.00 O ATOM 0 H SER B 72 -1.090 1.548 14.853 1.00 0.00 H new ATOM 0 HA SER B 72 -1.210 -1.165 14.086 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.012 1.376 12.409 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.493 -0.197 11.803 1.00 0.00 H new ATOM 0 HG SER B 72 -2.846 1.386 13.779 1.00 0.00 H new ATOM 1375 N THR B 73 0.858 -1.722 12.713 1.00 0.00 N ATOM 1376 CA THR B 73 2.160 -2.149 12.215 1.00 0.00 C ATOM 1377 C THR B 73 2.046 -2.745 10.816 1.00 0.00 C ATOM 1378 O THR B 73 1.208 -3.611 10.563 1.00 0.00 O ATOM 1379 CB THR B 73 2.807 -3.186 13.154 1.00 0.00 C ATOM 1380 OG1 THR B 73 2.907 -2.650 14.479 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.190 -3.580 12.655 1.00 0.00 C ATOM 0 H THR B 73 0.101 -2.383 12.538 1.00 0.00 H new ATOM 0 HA THR B 73 2.791 -1.261 12.177 1.00 0.00 H new ATOM 0 HB THR B 73 2.177 -4.075 13.168 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.318 -3.315 15.071 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.627 -4.313 13.334 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.107 -4.013 11.658 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.828 -2.697 12.615 1.00 0.00 H new ATOM 1389 N TRP B 74 2.898 -2.275 9.910 1.00 0.00 N ATOM 1390 CA TRP B 74 2.902 -2.760 8.532 1.00 0.00 C ATOM 1391 C TRP B 74 4.303 -3.205 8.123 1.00 0.00 C ATOM 1392 O TRP B 74 5.271 -2.465 8.302 1.00 0.00 O ATOM 1393 CB TRP B 74 2.405 -1.667 7.582 1.00 0.00 C ATOM 1394 CG TRP B 74 1.068 -1.106 7.960 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.815 0.139 8.466 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.199 -1.764 7.864 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.532 0.293 8.687 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.175 -0.860 8.325 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.605 -3.030 7.429 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.530 -1.183 8.366 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.949 -3.349 7.472 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -2.898 -2.429 7.936 1.00 0.00 C ATOM 0 H TRP B 74 3.596 -1.557 10.105 1.00 0.00 H new ATOM 0 HA TRP B 74 2.231 -3.617 8.470 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.135 -0.858 7.558 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.347 -2.074 6.572 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.565 0.891 8.663 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -0.980 1.130 9.060 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.119 -3.745 7.066 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.263 -0.476 8.724 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.273 -4.325 7.142 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -3.941 -2.709 7.955 1.00 0.00 H new ATOM 1413 N ARG B 75 4.404 -4.412 7.576 1.00 0.00 N ATOM 1414 CA ARG B 75 5.692 -4.952 7.142 1.00 0.00 C ATOM 1415 C ARG B 75 5.575 -5.615 5.775 1.00 0.00 C ATOM 1416 O ARG B 75 4.654 -6.393 5.531 1.00 0.00 O ATOM 1417 CB ARG B 75 6.212 -5.960 8.166 1.00 0.00 C ATOM 1418 CG ARG B 75 6.443 -5.362 9.542 1.00 0.00 C ATOM 1419 CD ARG B 75 7.142 -6.346 10.464 1.00 0.00 C ATOM 1420 NE ARG B 75 7.339 -5.798 11.803 1.00 0.00 N ATOM 1421 CZ ARG B 75 7.739 -6.521 12.845 1.00 0.00 C ATOM 1422 NH1 ARG B 75 7.982 -7.818 12.702 1.00 0.00 N ATOM 1423 NH2 ARG B 75 7.898 -5.950 14.030 1.00 0.00 N ATOM 0 H ARG B 75 3.612 -5.036 7.422 1.00 0.00 H new ATOM 0 HA ARG B 75 6.396 -4.124 7.062 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.499 -6.781 8.250 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.147 -6.386 7.802 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.044 -4.457 9.451 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.488 -5.068 9.978 1.00 0.00 H new ATOM 0 HD2 ARG B 75 6.554 -7.261 10.530 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.108 -6.618 10.038 1.00 0.00 H new ATOM 0 HE ARG B 75 7.160 -4.804 11.947 1.00 0.00 H new ATOM 0 HH11 ARG B 75 7.862 -8.262 11.792 1.00 0.00 H new ATOM 0 HH12 ARG B 75 8.289 -8.371 13.503 1.00 0.00 H new ATOM 0 HH21 ARG B 75 7.713 -4.953 14.145 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.205 -6.507 14.827 1.00 0.00 H new ATOM 1437 N PHE B 76 6.513 -5.296 4.881 1.00 0.00 N ATOM 1438 CA PHE B 76 6.519 -5.867 3.532 1.00 0.00 C ATOM 1439 C PHE B 76 7.954 -6.037 3.028 1.00 0.00 C ATOM 1440 O PHE B 76 8.898 -5.511 3.620 1.00 0.00 O ATOM 1441 CB PHE B 76 5.747 -4.965 2.561 1.00 0.00 C ATOM 1442 CG PHE B 76 4.496 -4.365 3.140 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.315 -5.083 3.166 1.00 0.00 C ATOM 1444 CD2 PHE B 76 4.508 -3.077 3.654 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.163 -4.530 3.697 1.00 0.00 C ATOM 1446 CE2 PHE B 76 3.360 -2.519 4.185 1.00 0.00 C ATOM 1447 CZ PHE B 76 2.187 -3.247 4.207 1.00 0.00 C ATOM 0 H PHE B 76 7.277 -4.646 5.066 1.00 0.00 H new ATOM 0 HA PHE B 76 6.035 -6.842 3.579 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.403 -4.160 2.231 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.483 -5.544 1.676 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.291 -6.087 2.768 1.00 0.00 H new ATOM 0 HD2 PHE B 76 5.423 -2.504 3.639 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.246 -5.101 3.713 1.00 0.00 H new ATOM 0 HE2 PHE B 76 3.381 -1.515 4.582 1.00 0.00 H new ATOM 0 HZ PHE B 76 1.289 -2.814 4.623 1.00 0.00 H new ATOM 1457 N ARG B 77 8.105 -6.766 1.924 1.00 0.00 N ATOM 1458 CA ARG B 77 9.409 -7.008 1.324 1.00 0.00 C ATOM 1459 C ARG B 77 9.292 -7.081 -0.195 1.00 0.00 C ATOM 1460 O ARG B 77 8.410 -7.756 -0.726 1.00 0.00 O ATOM 1461 CB ARG B 77 10.003 -8.312 1.865 1.00 0.00 C ATOM 1462 CG ARG B 77 11.191 -8.819 1.067 1.00 0.00 C ATOM 1463 CD ARG B 77 12.449 -8.021 1.366 1.00 0.00 C ATOM 1464 NE ARG B 77 13.627 -8.592 0.717 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.859 -8.497 1.207 1.00 0.00 C ATOM 1466 NH1 ARG B 77 15.074 -7.851 2.346 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.875 -9.048 0.559 1.00 0.00 N ATOM 0 H ARG B 77 7.330 -7.202 1.425 1.00 0.00 H new ATOM 0 HA ARG B 77 10.069 -6.181 1.584 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.310 -8.159 2.900 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.228 -9.078 1.872 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.363 -9.870 1.298 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.966 -8.759 0.002 1.00 0.00 H new ATOM 0 HD2 ARG B 77 12.314 -6.992 1.032 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.609 -7.987 2.444 1.00 0.00 H new ATOM 0 HE ARG B 77 13.497 -9.092 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.293 -7.427 2.847 1.00 0.00 H new ATOM 0 HH12 ARG B 77 16.020 -7.779 2.721 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.712 -9.545 -0.316 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.820 -8.975 0.936 1.00 0.00 H new ATOM 1481 N VAL B 78 10.187 -6.387 -0.893 1.00 0.00 N ATOM 1482 CA VAL B 78 10.172 -6.381 -2.352 1.00 0.00 C ATOM 1483 C VAL B 78 10.559 -7.751 -2.902 1.00 0.00 C ATOM 1484 O VAL B 78 11.710 -8.173 -2.794 1.00 0.00 O ATOM 1485 CB VAL B 78 11.128 -5.317 -2.923 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.971 -5.211 -4.432 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.883 -3.971 -2.259 1.00 0.00 C ATOM 0 H VAL B 78 10.928 -5.825 -0.474 1.00 0.00 H new ATOM 0 HA VAL B 78 9.155 -6.139 -2.661 1.00 0.00 H new ATOM 0 HB VAL B 78 12.152 -5.622 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.655 -4.454 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.200 -6.173 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.946 -4.929 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.567 -3.231 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.855 -3.657 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.051 -4.059 -1.186 1.00 0.00 H new ATOM 1497 N ALA B 79 9.586 -8.444 -3.492 1.00 0.00 N ATOM 1498 CA ALA B 79 9.821 -9.771 -4.049 1.00 0.00 C ATOM 1499 C ALA B 79 10.027 -9.717 -5.560 1.00 0.00 C ATOM 1500 O ALA B 79 10.970 -10.307 -6.086 1.00 0.00 O ATOM 1501 CB ALA B 79 8.660 -10.694 -3.710 1.00 0.00 C ATOM 0 H ALA B 79 8.629 -8.107 -3.596 1.00 0.00 H new ATOM 0 HA ALA B 79 10.735 -10.163 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.846 -11.682 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.562 -10.773 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.739 -10.289 -4.129 1.00 0.00 H new ATOM 1507 N ALA B 80 9.143 -9.007 -6.253 1.00 0.00 N ATOM 1508 CA ALA B 80 9.229 -8.888 -7.704 1.00 0.00 C ATOM 1509 C ALA B 80 9.052 -7.440 -8.150 1.00 0.00 C ATOM 1510 O ALA B 80 8.479 -6.625 -7.426 1.00 0.00 O ATOM 1511 CB ALA B 80 8.191 -9.777 -8.369 1.00 0.00 C ATOM 0 H ALA B 80 8.360 -8.506 -5.834 1.00 0.00 H new ATOM 0 HA ALA B 80 10.222 -9.215 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.267 -9.678 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.366 -10.815 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.194 -9.477 -8.046 1.00 0.00 H new ATOM 1517 N SER B 81 9.546 -7.129 -9.343 1.00 0.00 N ATOM 1518 CA SER B 81 9.446 -5.795 -9.885 1.00 0.00 C ATOM 1519 C SER B 81 8.014 -5.475 -10.283 1.00 0.00 C ATOM 1520 O SER B 81 7.090 -6.230 -9.983 1.00 0.00 O ATOM 1521 CB SER B 81 10.367 -5.658 -11.097 1.00 0.00 C ATOM 1522 OG SER B 81 9.822 -6.314 -12.230 1.00 0.00 O ATOM 0 H SER B 81 10.022 -7.795 -9.952 1.00 0.00 H new ATOM 0 HA SER B 81 9.752 -5.087 -9.115 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.521 -4.603 -11.323 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.345 -6.080 -10.864 1.00 0.00 H new ATOM 0 HG SER B 81 10.429 -6.210 -12.992 1.00 0.00 H new ATOM 1528 N GLY B 82 7.847 -4.355 -10.963 1.00 0.00 N ATOM 1529 CA GLY B 82 6.528 -3.932 -11.397 1.00 0.00 C ATOM 1530 C GLY B 82 6.136 -2.580 -10.835 1.00 0.00 C ATOM 1531 O GLY B 82 6.745 -2.095 -9.882 1.00 0.00 O ATOM 0 H GLY B 82 8.605 -3.724 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.504 -3.890 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.793 -4.676 -11.091 1.00 0.00 H new ATOM 1535 N ASP B 83 5.115 -1.975 -11.433 1.00 0.00 N ATOM 1536 CA ASP B 83 4.630 -0.678 -10.993 1.00 0.00 C ATOM 1537 C ASP B 83 3.401 -0.829 -10.103 1.00 0.00 C ATOM 1538 O ASP B 83 2.325 -1.201 -10.572 1.00 0.00 O ATOM 1539 CB ASP B 83 4.297 0.192 -12.201 1.00 0.00 C ATOM 1540 CG ASP B 83 3.424 -0.526 -13.211 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.977 -1.254 -14.064 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.188 -0.362 -13.151 1.00 0.00 O ATOM 0 H ASP B 83 4.608 -2.367 -12.227 1.00 0.00 H new ATOM 0 HA ASP B 83 5.417 -0.198 -10.411 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.789 1.096 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.222 0.507 -12.684 1.00 0.00 H new ATOM 1547 N ASP B 84 3.573 -0.540 -8.820 1.00 0.00 N ATOM 1548 CA ASP B 84 2.481 -0.638 -7.859 1.00 0.00 C ATOM 1549 C ASP B 84 2.272 0.692 -7.142 1.00 0.00 C ATOM 1550 O ASP B 84 2.936 1.685 -7.445 1.00 0.00 O ATOM 1551 CB ASP B 84 2.772 -1.738 -6.836 1.00 0.00 C ATOM 1552 CG ASP B 84 3.942 -1.397 -5.934 1.00 0.00 C ATOM 1553 OD1 ASP B 84 5.098 -1.522 -6.389 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.701 -1.006 -4.772 1.00 0.00 O ATOM 0 H ASP B 84 4.460 -0.235 -8.419 1.00 0.00 H new ATOM 0 HA ASP B 84 1.570 -0.888 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.884 -1.907 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.981 -2.671 -7.360 1.00 0.00 H new ATOM 1559 N ARG B 85 1.345 0.705 -6.194 1.00 0.00 N ATOM 1560 CA ARG B 85 1.046 1.907 -5.436 1.00 0.00 C ATOM 1561 C ARG B 85 0.344 1.563 -4.126 1.00 0.00 C ATOM 1562 O ARG B 85 -0.789 1.082 -4.128 1.00 0.00 O ATOM 1563 CB ARG B 85 0.170 2.840 -6.266 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.233 4.100 -5.526 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.184 4.948 -6.353 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.552 5.456 -7.568 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.153 6.277 -8.425 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.396 6.683 -8.200 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.509 6.693 -9.508 1.00 0.00 N ATOM 0 H ARG B 85 0.787 -0.108 -5.933 1.00 0.00 H new ATOM 0 HA ARG B 85 1.985 2.408 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.705 3.116 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.728 2.305 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.708 3.833 -4.582 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.657 4.681 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -2.059 4.355 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.538 5.785 -5.752 1.00 0.00 H new ATOM 0 HE ARG B 85 0.404 5.165 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.893 6.366 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.854 7.313 -8.859 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.447 6.383 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.970 7.322 -10.165 1.00 0.00 H new ATOM 1583 N LEU B 86 1.021 1.812 -3.011 1.00 0.00 N ATOM 1584 CA LEU B 86 0.454 1.532 -1.697 1.00 0.00 C ATOM 1585 C LEU B 86 -0.732 2.446 -1.418 1.00 0.00 C ATOM 1586 O LEU B 86 -0.686 3.641 -1.708 1.00 0.00 O ATOM 1587 CB LEU B 86 1.520 1.707 -0.612 1.00 0.00 C ATOM 1588 CG LEU B 86 1.891 0.432 0.157 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.713 -0.050 0.990 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.354 -0.658 -0.797 1.00 0.00 C ATOM 0 H LEU B 86 1.961 2.206 -2.990 1.00 0.00 H new ATOM 0 HA LEU B 86 0.105 0.499 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.422 2.108 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.169 2.452 0.102 1.00 0.00 H new ATOM 0 HG LEU B 86 2.716 0.667 0.830 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.994 -0.955 1.528 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.431 0.724 1.704 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -0.132 -0.265 0.335 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.612 -1.552 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 86 1.553 -0.891 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU B 86 3.229 -0.312 -1.347 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.798 1.879 -0.861 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.992 2.654 -0.551 1.00 0.00 C ATOM 1604 C GLU B 87 -3.526 2.314 0.838 1.00 0.00 C ATOM 1605 O GLU B 87 -3.858 1.165 1.125 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.078 2.409 -1.601 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.647 2.760 -3.017 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.820 2.907 -3.966 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.365 4.027 -4.068 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.194 1.903 -4.607 1.00 0.00 O ATOM 0 H GLU B 87 -1.858 0.891 -0.617 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.716 3.708 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.372 1.360 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.960 2.995 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.080 3.691 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -2.977 1.986 -3.391 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.598 3.328 1.695 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.092 3.156 3.055 1.00 0.00 C ATOM 1619 C LEU B 88 -5.080 4.263 3.403 1.00 0.00 C ATOM 1620 O LEU B 88 -5.003 5.364 2.860 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.937 3.167 4.060 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.823 2.151 3.792 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.841 2.693 2.765 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.106 1.794 5.086 1.00 0.00 C ATOM 0 H LEU B 88 -3.318 4.282 1.469 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.596 2.191 3.110 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.499 4.165 4.074 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.342 2.983 5.055 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.273 1.244 3.388 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.057 1.957 2.588 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.366 2.896 1.832 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.396 3.615 3.139 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.317 1.071 4.877 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.668 2.693 5.520 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.818 1.362 5.789 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.009 3.968 4.307 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.002 4.952 4.720 1.00 0.00 C ATOM 1638 C VAL B 89 -7.274 4.863 6.218 1.00 0.00 C ATOM 1639 O VAL B 89 -6.946 3.866 6.861 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.328 4.783 3.952 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.095 4.850 2.450 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.014 3.481 4.337 1.00 0.00 C ATOM 0 H VAL B 89 -6.094 3.061 4.765 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.587 5.932 4.487 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.987 5.606 4.229 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.045 4.728 1.929 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.661 5.816 2.192 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.413 4.054 2.152 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.947 3.384 3.782 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.361 2.641 4.099 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.226 3.484 5.406 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.882 5.912 6.764 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.194 5.965 8.188 1.00 0.00 C ATOM 1654 C TYR B 90 -9.689 5.783 8.432 1.00 0.00 C ATOM 1655 O TYR B 90 -10.477 6.711 8.245 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.719 7.298 8.773 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.926 7.433 10.265 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.587 8.536 10.795 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.460 6.463 11.144 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.775 8.667 12.158 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.647 6.588 12.509 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.305 7.692 13.009 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.491 7.820 14.366 1.00 0.00 O ATOM 0 H TYR B 90 -8.169 6.739 6.240 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.672 5.147 8.685 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.659 7.421 8.553 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.245 8.110 8.270 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.959 9.302 10.131 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.944 5.598 10.755 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.289 9.531 12.554 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.280 5.825 13.179 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.101 7.046 14.824 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.071 4.579 8.846 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.470 4.267 9.118 1.00 0.00 C ATOM 1675 C ARG B 91 -11.587 2.973 9.919 1.00 0.00 C ATOM 1676 O ARG B 91 -10.598 2.271 10.126 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.253 4.142 7.810 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.731 3.053 6.888 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.549 2.963 5.609 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.076 1.900 4.728 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.636 1.607 3.558 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.685 2.298 3.129 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.148 0.622 2.816 1.00 0.00 N ATOM 0 H ARG B 91 -9.429 3.801 9.001 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.892 5.082 9.706 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.299 3.940 8.041 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.221 5.097 7.285 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.689 3.254 6.641 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.757 2.094 7.405 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.595 2.787 5.860 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.504 3.916 5.083 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.270 1.351 5.027 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.063 3.056 3.697 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.113 2.071 2.231 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.342 0.088 3.143 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.578 0.398 1.919 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.801 2.665 10.370 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.035 1.451 11.145 1.00 0.00 C ATOM 1699 C ARG B 92 -12.629 0.215 10.338 1.00 0.00 C ATOM 1700 O ARG B 92 -12.896 0.137 9.139 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.505 1.361 11.564 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.013 2.615 12.259 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.393 2.406 12.862 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.015 3.663 13.270 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.324 3.820 13.437 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.148 2.803 13.230 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.809 4.996 13.814 1.00 0.00 N ATOM 0 H ARG B 92 -13.632 3.235 10.213 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.422 1.490 12.045 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.116 1.171 10.681 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.634 0.508 12.230 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.314 2.905 13.043 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.049 3.437 11.545 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.033 1.906 12.135 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.314 1.745 13.725 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.410 4.467 13.436 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.778 1.897 12.942 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.152 2.926 13.359 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -18.177 5.780 13.976 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.814 5.116 13.942 1.00 0.00 H new ATOM 1721 N PRO B 93 -11.979 -0.769 10.989 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.519 -1.989 10.318 1.00 0.00 C ATOM 1723 C PRO B 93 -12.630 -3.011 10.097 1.00 0.00 C ATOM 1724 O PRO B 93 -12.471 -3.948 9.313 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.479 -2.531 11.295 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.982 -2.114 12.631 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.636 -0.773 12.426 1.00 0.00 C ATOM 0 HA PRO B 93 -11.140 -1.786 9.316 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.392 -3.615 11.223 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -9.491 -2.117 11.095 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.694 -2.840 13.024 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.167 -2.045 13.351 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.523 -0.660 13.050 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.961 0.045 12.679 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.755 -2.834 10.784 1.00 0.00 N ATOM 1736 CA TRP B 94 -14.878 -3.756 10.649 1.00 0.00 C ATOM 1737 C TRP B 94 -15.880 -3.261 9.610 1.00 0.00 C ATOM 1738 O TRP B 94 -16.972 -3.812 9.479 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.571 -3.957 11.998 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.979 -2.677 12.663 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.978 -1.832 12.276 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.399 -2.102 13.839 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.051 -0.763 13.136 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.092 -0.906 14.103 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -14.357 -2.480 14.693 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -15.780 -0.087 15.184 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.049 -1.665 15.766 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -14.759 -0.481 16.005 1.00 0.00 C ATOM 0 H TRP B 94 -13.913 -2.066 11.436 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.483 -4.713 10.308 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.455 -4.579 11.853 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.902 -4.504 12.662 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -17.618 -1.982 11.419 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.712 0.011 13.066 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.804 -3.391 14.517 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.325 0.827 15.368 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.247 -1.946 16.432 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.495 0.133 16.854 1.00 0.00 H new ATOM 1759 N GLU B 95 -15.503 -2.221 8.873 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.371 -1.659 7.843 1.00 0.00 C ATOM 1761 C GLU B 95 -15.794 -1.901 6.452 1.00 0.00 C ATOM 1762 O GLU B 95 -14.718 -1.404 6.121 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.573 -0.159 8.068 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.255 0.175 9.381 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.662 1.633 9.473 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -18.862 1.929 9.291 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -16.780 2.479 9.727 1.00 0.00 O ATOM 0 H GLU B 95 -14.603 -1.750 8.969 1.00 0.00 H new ATOM 0 HA GLU B 95 -17.337 -2.160 7.911 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.603 0.338 8.036 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.166 0.246 7.248 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.138 -0.453 9.497 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.584 -0.064 10.206 1.00 0.00 H new ATOM 1774 N LYS B 96 -16.516 -2.671 5.644 1.00 0.00 N ATOM 1775 CA LYS B 96 -16.077 -2.978 4.287 1.00 0.00 C ATOM 1776 C LYS B 96 -16.151 -1.742 3.397 1.00 0.00 C ATOM 1777 O LYS B 96 -15.280 -1.517 2.555 1.00 0.00 O ATOM 1778 CB LYS B 96 -16.928 -4.101 3.696 1.00 0.00 C ATOM 1779 CG LYS B 96 -16.468 -4.545 2.318 1.00 0.00 C ATOM 1780 CD LYS B 96 -16.944 -5.951 2.006 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.528 -6.385 0.609 1.00 0.00 C ATOM 1782 NZ LYS B 96 -17.082 -5.486 -0.440 1.00 0.00 N ATOM 0 H LYS B 96 -17.407 -3.094 5.905 1.00 0.00 H new ATOM 0 HA LYS B 96 -15.038 -3.306 4.333 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -16.907 -4.957 4.371 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -17.964 -3.768 3.635 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -16.848 -3.854 1.565 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -15.380 -4.507 2.265 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.536 -6.645 2.740 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.030 -5.996 2.094 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -15.440 -6.395 0.541 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.868 -7.405 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.997 -5.944 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -18.084 -5.294 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -16.552 -4.591 -0.445 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.197 -0.943 3.588 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.386 0.273 2.803 1.00 0.00 C ATOM 1798 C ASP B 97 -17.911 1.406 3.678 1.00 0.00 C ATOM 1799 O ASP B 97 -19.097 1.457 4.004 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.355 0.016 1.647 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.863 -1.064 0.706 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.067 -0.743 -0.202 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.272 -2.232 0.876 1.00 0.00 O ATOM 0 H ASP B 97 -17.927 -1.116 4.280 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.418 0.567 2.397 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.326 -0.272 2.049 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.502 0.940 1.088 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.017 2.316 4.058 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.389 3.450 4.895 1.00 0.00 C ATOM 1810 C ALA B 98 -16.478 4.644 4.631 1.00 0.00 C ATOM 1811 O ALA B 98 -15.260 4.499 4.540 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.340 3.061 6.365 1.00 0.00 C ATOM 0 H ALA B 98 -16.031 2.289 3.799 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.409 3.739 4.643 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.620 3.918 6.978 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.035 2.241 6.548 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.330 2.745 6.624 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.080 5.825 4.509 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.326 7.048 4.254 1.00 0.00 C ATOM 1820 C GLU B 99 -15.262 7.265 5.332 1.00 0.00 C ATOM 1821 O GLU B 99 -15.589 7.561 6.482 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.268 8.254 4.204 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.236 8.228 3.032 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.264 7.119 3.140 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.037 6.041 2.551 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -20.294 7.327 3.814 1.00 0.00 O ATOM 0 H GLU B 99 -18.088 5.960 4.583 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.829 6.944 3.290 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.837 8.297 5.133 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.673 9.166 4.152 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.749 9.188 2.970 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.674 8.107 2.106 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.969 7.122 4.975 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.870 7.305 5.924 1.00 0.00 C ATOM 1835 C PRO B 100 -12.564 8.777 6.181 1.00 0.00 C ATOM 1836 O PRO B 100 -12.806 9.630 5.328 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.693 6.630 5.222 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.980 6.797 3.767 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.480 6.770 3.626 1.00 0.00 C ATOM 0 HA PRO B 100 -13.100 6.889 6.905 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.747 7.097 5.496 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.620 5.577 5.494 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.571 7.737 3.395 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.520 5.998 3.186 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.824 7.484 2.877 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.835 5.787 3.316 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.033 9.064 7.367 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.690 10.432 7.737 1.00 0.00 C ATOM 1849 C ALA B 101 -10.401 10.866 7.055 1.00 0.00 C ATOM 1850 O ALA B 101 -10.410 11.719 6.166 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.560 10.554 9.249 1.00 0.00 C ATOM 0 H ALA B 101 -11.832 8.369 8.086 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.492 11.090 7.402 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.304 11.581 9.510 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.506 10.285 9.718 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.777 9.883 9.602 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.296 10.272 7.480 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.990 10.581 6.913 1.00 0.00 C ATOM 1859 C GLU B 102 -7.673 9.664 5.743 1.00 0.00 C ATOM 1860 O GLU B 102 -8.550 8.988 5.207 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.901 10.443 7.973 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.413 11.767 8.524 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.063 12.764 7.436 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.916 12.726 6.941 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -6.937 13.582 7.078 1.00 0.00 O ATOM 0 H GLU B 102 -9.277 9.570 8.219 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.019 11.610 6.556 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.282 9.836 8.795 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.056 9.905 7.544 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.183 12.193 9.167 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.536 11.594 9.148 1.00 0.00 H new ATOM 1872 N SER B 103 -6.403 9.654 5.356 1.00 0.00 N ATOM 1873 CA SER B 103 -5.944 8.823 4.251 1.00 0.00 C ATOM 1874 C SER B 103 -4.423 8.835 4.155 1.00 0.00 C ATOM 1875 O SER B 103 -3.758 9.674 4.764 1.00 0.00 O ATOM 1876 CB SER B 103 -6.549 9.314 2.937 1.00 0.00 C ATOM 1877 OG SER B 103 -6.081 8.546 1.840 1.00 0.00 O ATOM 0 H SER B 103 -5.671 10.214 5.793 1.00 0.00 H new ATOM 0 HA SER B 103 -6.270 7.800 4.438 1.00 0.00 H new ATOM 0 HB2 SER B 103 -7.636 9.254 2.989 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.294 10.363 2.785 1.00 0.00 H new ATOM 0 HG SER B 103 -6.484 8.879 1.011 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.881 7.900 3.383 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.435 7.799 3.202 1.00 0.00 C ATOM 1885 C PHE B 104 -2.089 6.833 2.071 1.00 0.00 C ATOM 1886 O PHE B 104 -2.208 5.618 2.224 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.767 7.344 4.503 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.269 7.293 4.429 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.486 8.431 4.649 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.380 6.104 4.139 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.867 8.384 4.585 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.759 6.052 4.071 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.504 7.193 4.293 1.00 0.00 C ATOM 0 H PHE B 104 -4.420 7.201 2.872 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.059 8.787 2.935 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.059 8.020 5.306 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.142 6.355 4.767 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.008 9.365 4.873 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.198 5.208 3.964 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.447 9.277 4.763 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.254 5.119 3.844 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.582 7.155 4.239 1.00 0.00 H new ATOM 1903 N SER B 105 -1.660 7.382 0.939 1.00 0.00 N ATOM 1904 CA SER B 105 -1.294 6.569 -0.219 1.00 0.00 C ATOM 1905 C SER B 105 0.084 6.960 -0.743 1.00 0.00 C ATOM 1906 O SER B 105 0.442 8.139 -0.757 1.00 0.00 O ATOM 1907 CB SER B 105 -2.337 6.728 -1.329 1.00 0.00 C ATOM 1908 OG SER B 105 -2.438 8.078 -1.746 1.00 0.00 O ATOM 0 H SER B 105 -1.557 8.387 0.797 1.00 0.00 H new ATOM 0 HA SER B 105 -1.262 5.526 0.095 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.066 6.101 -2.179 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.307 6.381 -0.973 1.00 0.00 H new ATOM 0 HG SER B 105 -3.109 8.152 -2.456 1.00 0.00 H new ATOM 1914 N CYS B 106 0.855 5.965 -1.174 1.00 0.00 N ATOM 1915 CA CYS B 106 2.196 6.208 -1.696 1.00 0.00 C ATOM 1916 C CYS B 106 2.440 5.424 -2.981 1.00 0.00 C ATOM 1917 O CYS B 106 1.828 4.379 -3.209 1.00 0.00 O ATOM 1918 CB CYS B 106 3.240 5.829 -0.647 1.00 0.00 C ATOM 1919 SG CYS B 106 3.092 6.757 0.914 1.00 0.00 S ATOM 0 H CYS B 106 0.574 4.984 -1.172 1.00 0.00 H new ATOM 0 HA CYS B 106 2.282 7.270 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.156 4.763 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.234 5.993 -1.063 1.00 0.00 H new ATOM 1924 N ALA B 107 3.337 5.935 -3.820 1.00 0.00 N ATOM 1925 CA ALA B 107 3.665 5.282 -5.083 1.00 0.00 C ATOM 1926 C ALA B 107 4.937 4.449 -4.950 1.00 0.00 C ATOM 1927 O ALA B 107 5.890 4.854 -4.282 1.00 0.00 O ATOM 1928 CB ALA B 107 3.817 6.316 -6.188 1.00 0.00 C ATOM 0 H ALA B 107 3.850 6.800 -3.648 1.00 0.00 H new ATOM 0 HA ALA B 107 2.847 4.611 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.062 5.815 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.882 6.865 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.616 7.011 -5.929 1.00 0.00 H new ATOM 1934 N ILE B 108 4.945 3.286 -5.593 1.00 0.00 N ATOM 1935 CA ILE B 108 6.094 2.384 -5.540 1.00 0.00 C ATOM 1936 C ILE B 108 6.283 1.657 -6.869 1.00 0.00 C ATOM 1937 O ILE B 108 5.389 0.954 -7.332 1.00 0.00 O ATOM 1938 CB ILE B 108 5.930 1.341 -4.414 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.868 2.036 -3.049 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.067 0.328 -4.450 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.452 1.122 -1.918 1.00 0.00 C ATOM 0 H ILE B 108 4.168 2.944 -6.158 1.00 0.00 H new ATOM 0 HA ILE B 108 6.973 2.996 -5.337 1.00 0.00 H new ATOM 0 HB ILE B 108 4.994 0.806 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.847 2.458 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.167 2.869 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.933 -0.398 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.065 -0.187 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.018 0.844 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.431 1.684 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.460 0.720 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.165 0.302 -1.832 1.00 0.00 H new ATOM 1953 N GLN B 109 7.454 1.828 -7.474 1.00 0.00 N ATOM 1954 CA GLN B 109 7.757 1.180 -8.749 1.00 0.00 C ATOM 1955 C GLN B 109 9.160 0.583 -8.731 1.00 0.00 C ATOM 1956 O GLN B 109 10.150 1.307 -8.794 1.00 0.00 O ATOM 1957 CB GLN B 109 7.631 2.181 -9.901 1.00 0.00 C ATOM 1958 CG GLN B 109 6.214 2.676 -10.128 1.00 0.00 C ATOM 1959 CD GLN B 109 6.107 3.620 -11.312 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.238 4.835 -11.165 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.873 3.063 -12.494 1.00 0.00 N ATOM 0 H GLN B 109 8.208 2.408 -7.105 1.00 0.00 H new ATOM 0 HA GLN B 109 7.038 0.375 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.277 3.036 -9.700 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.995 1.715 -10.817 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.556 1.822 -10.289 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.863 3.184 -9.230 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.771 2.051 -12.570 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.795 3.647 -13.327 1.00 0.00 H new ATOM 1970 N VAL B 110 9.236 -0.742 -8.652 1.00 0.00 N ATOM 1971 CA VAL B 110 10.523 -1.429 -8.619 1.00 0.00 C ATOM 1972 C VAL B 110 11.279 -1.245 -9.933 1.00 0.00 C ATOM 1973 O VAL B 110 12.182 -0.413 -10.029 1.00 0.00 O ATOM 1974 CB VAL B 110 10.356 -2.935 -8.336 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.709 -3.589 -8.106 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.445 -3.158 -7.138 1.00 0.00 C ATOM 0 H VAL B 110 8.425 -1.359 -8.610 1.00 0.00 H new ATOM 0 HA VAL B 110 11.097 -0.982 -7.808 1.00 0.00 H new ATOM 0 HB VAL B 110 9.894 -3.397 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.570 -4.652 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.329 -3.463 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.199 -3.121 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.340 -4.227 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.877 -2.680 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.465 -2.727 -7.341 1.00 0.00 H new ATOM 1986 N ARG B 111 10.905 -2.025 -10.943 1.00 0.00 N ATOM 1987 CA ARG B 111 11.545 -1.945 -12.251 1.00 0.00 C ATOM 1988 C ARG B 111 10.507 -1.923 -13.369 1.00 0.00 C ATOM 1989 O ARG B 111 10.112 -3.017 -13.829 1.00 0.00 O ATOM 1990 CB ARG B 111 12.505 -3.116 -12.449 1.00 0.00 C ATOM 1991 CG ARG B 111 13.683 -3.102 -11.500 1.00 0.00 C ATOM 1992 CD ARG B 111 14.559 -1.901 -11.763 1.00 0.00 C ATOM 1993 NE ARG B 111 15.692 -1.830 -10.845 1.00 0.00 N ATOM 1994 CZ ARG B 111 16.685 -0.953 -10.966 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.682 -0.075 -11.960 1.00 0.00 N ATOM 1996 NH2 ARG B 111 17.680 -0.952 -10.089 1.00 0.00 N ATOM 1997 OXT ARG B 111 10.097 -0.816 -13.774 1.00 0.00 O ATOM 0 H ARG B 111 10.161 -2.720 -10.880 1.00 0.00 H new ATOM 0 HA ARG B 111 12.111 -1.014 -12.291 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.957 -4.050 -12.321 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.875 -3.102 -13.474 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.327 -3.082 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG B 111 14.264 -4.016 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.927 -1.940 -12.788 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.963 -0.993 -11.672 1.00 0.00 H new ATOM 0 HE ARG B 111 15.724 -2.490 -10.068 1.00 0.00 H new ATOM 0 HH11 ARG B 111 15.917 -0.071 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.445 0.596 -12.050 1.00 0.00 H new ATOM 0 HH21 ARG B 111 17.684 -1.624 -9.321 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.441 -0.279 -10.182 1.00 0.00 H new