USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 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 -64:sc= 1.3 USER MOD Set 1.2: B 31 ASN : amide:sc= -1.91! K(o=0.49!,f=-1.1) USER MOD Set 1.3: B 34 THR OG1 : rot -92:sc= 1.11 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -28:sc= 0.546 USER MOD Single : B 20 GLN : amide:sc= -3.6! K(o=-3.6!,f=-0.98) USER MOD Single : B 22 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 5:sc= 0.818 USER MOD Single : B 42 ASN : amide:sc= -0.647 K(o=-0.65,f=-1.2) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 180:sc= 0 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 137:sc= 0.0108 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot -18:sc= 0.714 USER MOD Single : B 105 SER OG : rot 180:sc= 0.0424 USER MOD Single : B 109 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 14.051 0.123 4.494 1.00 0.00 N ATOM 382 CA VAL B 5 13.831 1.552 4.324 1.00 0.00 C ATOM 383 C VAL B 5 12.442 1.951 4.816 1.00 0.00 C ATOM 384 O VAL B 5 11.436 1.672 4.168 1.00 0.00 O ATOM 385 CB VAL B 5 14.006 1.979 2.852 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.209 1.072 1.925 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.602 3.432 2.666 1.00 0.00 C ATOM 0 HA VAL B 5 14.581 2.068 4.923 1.00 0.00 H new ATOM 0 HB VAL B 5 15.060 1.881 2.592 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.349 1.393 0.893 1.00 0.00 H new ATOM 0 HG12 VAL B 5 13.555 0.044 2.035 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.151 1.128 2.182 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.732 3.715 1.621 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.557 3.558 2.948 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.227 4.067 3.294 1.00 0.00 H new ATOM 397 N THR B 6 12.400 2.604 5.975 1.00 0.00 N ATOM 398 CA THR B 6 11.142 3.031 6.570 1.00 0.00 C ATOM 399 C THR B 6 10.527 4.197 5.804 1.00 0.00 C ATOM 400 O THR B 6 11.201 4.865 5.018 1.00 0.00 O ATOM 401 CB THR B 6 11.339 3.443 8.040 1.00 0.00 C ATOM 402 OG1 THR B 6 12.283 2.568 8.671 1.00 0.00 O ATOM 403 CG2 THR B 6 10.023 3.393 8.796 1.00 0.00 C ATOM 0 H THR B 6 13.227 2.848 6.520 1.00 0.00 H new ATOM 0 HA THR B 6 10.464 2.179 6.520 1.00 0.00 H new ATOM 0 HB THR B 6 11.716 4.465 8.059 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.405 2.837 9.605 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.187 3.688 9.832 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.311 4.076 8.333 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.625 2.379 8.766 1.00 0.00 H new ATOM 411 N LEU B 7 9.239 4.432 6.040 1.00 0.00 N ATOM 412 CA LEU B 7 8.518 5.515 5.381 1.00 0.00 C ATOM 413 C LEU B 7 7.388 6.028 6.269 1.00 0.00 C ATOM 414 O LEU B 7 6.759 5.256 6.994 1.00 0.00 O ATOM 415 CB LEU B 7 7.956 5.034 4.041 1.00 0.00 C ATOM 416 CG LEU B 7 7.064 6.039 3.305 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.847 7.297 2.955 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.477 5.407 2.053 1.00 0.00 C ATOM 0 H LEU B 7 8.672 3.883 6.686 1.00 0.00 H new ATOM 0 HA LEU B 7 9.215 6.334 5.201 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.790 4.769 3.391 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.383 4.123 4.212 1.00 0.00 H new ATOM 0 HG LEU B 7 6.245 6.322 3.966 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.195 7.998 2.433 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.219 7.760 3.869 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.688 7.035 2.312 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.846 6.133 1.541 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.284 5.096 1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.880 4.538 2.330 1.00 0.00 H new ATOM 430 N ASP B 8 7.137 7.333 6.211 1.00 0.00 N ATOM 431 CA ASP B 8 6.082 7.942 7.015 1.00 0.00 C ATOM 432 C ASP B 8 5.384 9.058 6.246 1.00 0.00 C ATOM 433 O ASP B 8 4.155 9.144 6.238 1.00 0.00 O ATOM 434 CB ASP B 8 6.663 8.493 8.321 1.00 0.00 C ATOM 435 CG ASP B 8 5.606 9.138 9.196 1.00 0.00 C ATOM 436 OD1 ASP B 8 5.008 8.426 10.029 1.00 0.00 O ATOM 437 OD2 ASP B 8 5.377 10.357 9.048 1.00 0.00 O ATOM 0 H ASP B 8 7.648 7.987 5.618 1.00 0.00 H new ATOM 0 HA ASP B 8 5.346 7.172 7.247 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.143 7.684 8.872 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.437 9.225 8.091 1.00 0.00 H new ATOM 442 N ASP B 9 6.172 9.912 5.602 1.00 0.00 N ATOM 443 CA ASP B 9 5.629 11.025 4.830 1.00 0.00 C ATOM 444 C ASP B 9 4.781 10.521 3.667 1.00 0.00 C ATOM 445 O ASP B 9 4.760 9.326 3.373 1.00 0.00 O ATOM 446 CB ASP B 9 6.762 11.909 4.306 1.00 0.00 C ATOM 447 CG ASP B 9 7.603 12.495 5.424 1.00 0.00 C ATOM 448 OD1 ASP B 9 8.599 11.849 5.817 1.00 0.00 O ATOM 449 OD2 ASP B 9 7.269 13.598 5.903 1.00 0.00 O ATOM 0 H ASP B 9 7.190 9.855 5.599 1.00 0.00 H new ATOM 0 HA ASP B 9 4.992 11.615 5.489 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.400 11.323 3.644 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.341 12.718 3.709 1.00 0.00 H new ATOM 454 N ALA B 10 4.082 11.440 3.007 1.00 0.00 N ATOM 455 CA ALA B 10 3.233 11.091 1.876 1.00 0.00 C ATOM 456 C ALA B 10 3.723 11.756 0.595 1.00 0.00 C ATOM 457 O ALA B 10 3.808 11.117 -0.455 1.00 0.00 O ATOM 458 CB ALA B 10 1.790 11.487 2.157 1.00 0.00 C ATOM 0 H ALA B 10 4.088 12.434 3.238 1.00 0.00 H new ATOM 0 HA ALA B 10 3.283 10.011 1.737 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.167 11.220 1.303 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.435 10.962 3.044 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.734 12.562 2.325 1.00 0.00 H new ATOM 464 N ASP B 11 4.044 13.043 0.687 1.00 0.00 N ATOM 465 CA ASP B 11 4.528 13.795 -0.466 1.00 0.00 C ATOM 466 C ASP B 11 5.965 13.410 -0.803 1.00 0.00 C ATOM 467 O ASP B 11 6.400 13.538 -1.949 1.00 0.00 O ATOM 468 CB ASP B 11 4.440 15.298 -0.192 1.00 0.00 C ATOM 469 CG ASP B 11 4.911 16.128 -1.371 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.122 16.423 -1.444 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.067 16.482 -2.221 1.00 0.00 O ATOM 0 H ASP B 11 3.978 13.587 1.547 1.00 0.00 H new ATOM 0 HA ASP B 11 3.897 13.550 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.410 15.562 0.046 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.042 15.541 0.684 1.00 0.00 H new ATOM 476 N ASP B 12 6.695 12.935 0.201 1.00 0.00 N ATOM 477 CA ASP B 12 8.083 12.530 0.017 1.00 0.00 C ATOM 478 C ASP B 12 8.166 11.149 -0.628 1.00 0.00 C ATOM 479 O ASP B 12 9.256 10.651 -0.908 1.00 0.00 O ATOM 480 CB ASP B 12 8.810 12.519 1.361 1.00 0.00 C ATOM 481 CG ASP B 12 8.887 13.898 1.988 1.00 0.00 C ATOM 482 OD1 ASP B 12 7.925 14.292 2.679 1.00 0.00 O ATOM 483 OD2 ASP B 12 9.911 14.586 1.785 1.00 0.00 O ATOM 0 H ASP B 12 6.347 12.821 1.153 1.00 0.00 H new ATOM 0 HA ASP B 12 8.563 13.250 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.297 11.841 2.043 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.818 12.129 1.222 1.00 0.00 H new ATOM 488 N CYS B 13 7.009 10.540 -0.860 1.00 0.00 N ATOM 489 CA CYS B 13 6.954 9.215 -1.467 1.00 0.00 C ATOM 490 C CYS B 13 7.267 9.282 -2.960 1.00 0.00 C ATOM 491 O CYS B 13 8.422 9.125 -3.364 1.00 0.00 O ATOM 492 CB CYS B 13 5.579 8.583 -1.238 1.00 0.00 C ATOM 493 SG CYS B 13 5.190 8.282 0.516 1.00 0.00 S ATOM 0 H CYS B 13 6.098 10.941 -0.638 1.00 0.00 H new ATOM 0 HA CYS B 13 7.711 8.592 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.815 9.234 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.529 7.638 -1.779 1.00 0.00 H new ATOM 498 N SER B 14 6.238 9.510 -3.776 1.00 0.00 N ATOM 499 CA SER B 14 6.406 9.599 -5.225 1.00 0.00 C ATOM 500 C SER B 14 6.871 8.256 -5.783 1.00 0.00 C ATOM 501 O SER B 14 7.291 7.387 -5.022 1.00 0.00 O ATOM 502 CB SER B 14 7.412 10.702 -5.576 1.00 0.00 C ATOM 503 OG SER B 14 6.987 11.957 -5.077 1.00 0.00 O ATOM 0 H SER B 14 5.278 9.637 -3.457 1.00 0.00 H new ATOM 0 HA SER B 14 5.446 9.850 -5.676 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.388 10.454 -5.160 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.531 10.759 -6.658 1.00 0.00 H new ATOM 0 HG SER B 14 7.646 12.643 -5.312 1.00 0.00 H new ATOM 509 N PRO B 15 6.784 8.058 -7.115 1.00 0.00 N ATOM 510 CA PRO B 15 7.212 6.807 -7.754 1.00 0.00 C ATOM 511 C PRO B 15 8.639 6.429 -7.378 1.00 0.00 C ATOM 512 O PRO B 15 9.576 6.642 -8.147 1.00 0.00 O ATOM 513 CB PRO B 15 7.122 7.112 -9.246 1.00 0.00 C ATOM 514 CG PRO B 15 6.115 8.204 -9.351 1.00 0.00 C ATOM 515 CD PRO B 15 6.256 9.023 -8.100 1.00 0.00 C ATOM 0 HA PRO B 15 6.596 5.963 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.087 7.424 -9.645 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.813 6.233 -9.812 1.00 0.00 H new ATOM 0 HG2 PRO B 15 6.292 8.813 -10.237 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.107 7.798 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.936 9.862 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.300 9.439 -7.782 1.00 0.00 H new ATOM 523 N LEU B 16 8.790 5.874 -6.187 1.00 0.00 N ATOM 524 CA LEU B 16 10.095 5.464 -5.683 1.00 0.00 C ATOM 525 C LEU B 16 10.575 4.188 -6.367 1.00 0.00 C ATOM 526 O LEU B 16 9.849 3.197 -6.439 1.00 0.00 O ATOM 527 CB LEU B 16 10.030 5.249 -4.171 1.00 0.00 C ATOM 528 CG LEU B 16 11.362 4.894 -3.512 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.364 6.023 -3.698 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.163 4.591 -2.033 1.00 0.00 C ATOM 0 H LEU B 16 8.019 5.695 -5.544 1.00 0.00 H new ATOM 0 HA LEU B 16 10.807 6.259 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU B 16 9.642 6.156 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.315 4.453 -3.963 1.00 0.00 H new ATOM 0 HG LEU B 16 11.758 4.000 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU B 16 13.307 5.754 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.529 6.192 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.975 6.934 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.122 4.340 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.745 5.466 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU B 16 10.479 3.749 -1.923 1.00 0.00 H new ATOM 542 N LYS B 17 11.807 4.225 -6.870 1.00 0.00 N ATOM 543 CA LYS B 17 12.393 3.073 -7.546 1.00 0.00 C ATOM 544 C LYS B 17 12.988 2.095 -6.536 1.00 0.00 C ATOM 545 O LYS B 17 14.015 2.376 -5.918 1.00 0.00 O ATOM 546 CB LYS B 17 13.468 3.535 -8.526 1.00 0.00 C ATOM 547 CG LYS B 17 12.935 4.447 -9.616 1.00 0.00 C ATOM 548 CD LYS B 17 14.036 5.298 -10.222 1.00 0.00 C ATOM 549 CE LYS B 17 15.063 4.452 -10.959 1.00 0.00 C ATOM 550 NZ LYS B 17 16.148 5.282 -11.552 1.00 0.00 N ATOM 0 H LYS B 17 12.418 5.041 -6.822 1.00 0.00 H new ATOM 0 HA LYS B 17 11.605 2.559 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.251 4.057 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.930 2.662 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.467 3.847 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.160 5.093 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.599 6.021 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.531 5.867 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS B 17 15.497 3.727 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS B 17 14.567 3.886 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 16.826 4.666 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 15.738 5.957 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 16.638 5.803 -10.797 1.00 0.00 H new ATOM 564 N LEU B 18 12.334 0.951 -6.375 1.00 0.00 N ATOM 565 CA LEU B 18 12.794 -0.070 -5.442 1.00 0.00 C ATOM 566 C LEU B 18 13.548 -1.177 -6.167 1.00 0.00 C ATOM 567 O LEU B 18 13.775 -1.105 -7.373 1.00 0.00 O ATOM 568 CB LEU B 18 11.607 -0.667 -4.684 1.00 0.00 C ATOM 569 CG LEU B 18 11.178 0.093 -3.438 1.00 0.00 C ATOM 570 CD1 LEU B 18 10.780 1.521 -3.783 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.037 -0.629 -2.741 1.00 0.00 C ATOM 0 H LEU B 18 11.482 0.707 -6.880 1.00 0.00 H new ATOM 0 HA LEU B 18 13.474 0.405 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.757 -0.726 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.858 -1.688 -4.397 1.00 0.00 H new ATOM 0 HG LEU B 18 12.027 0.135 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.477 2.044 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.628 2.037 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.949 1.507 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.743 -0.071 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.187 -0.706 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.362 -1.628 -2.452 1.00 0.00 H new ATOM 583 N THR B 19 13.929 -2.205 -5.414 1.00 0.00 N ATOM 584 CA THR B 19 14.657 -3.339 -5.972 1.00 0.00 C ATOM 585 C THR B 19 14.537 -4.555 -5.061 1.00 0.00 C ATOM 586 O THR B 19 14.408 -4.420 -3.844 1.00 0.00 O ATOM 587 CB THR B 19 16.148 -3.010 -6.180 1.00 0.00 C ATOM 588 OG1 THR B 19 16.287 -1.753 -6.853 1.00 0.00 O ATOM 589 CG2 THR B 19 16.831 -4.099 -6.995 1.00 0.00 C ATOM 0 H THR B 19 13.745 -2.275 -4.413 1.00 0.00 H new ATOM 0 HA THR B 19 14.210 -3.560 -6.941 1.00 0.00 H new ATOM 0 HB THR B 19 16.623 -2.952 -5.201 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.503 -1.597 -7.420 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.883 -3.847 -7.130 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.751 -5.051 -6.470 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.349 -4.180 -7.969 1.00 0.00 H new ATOM 597 N GLN B 20 14.580 -5.742 -5.657 1.00 0.00 N ATOM 598 CA GLN B 20 14.475 -6.984 -4.899 1.00 0.00 C ATOM 599 C GLN B 20 15.539 -7.053 -3.809 1.00 0.00 C ATOM 600 O GLN B 20 16.715 -7.293 -4.086 1.00 0.00 O ATOM 601 CB GLN B 20 14.603 -8.186 -5.837 1.00 0.00 C ATOM 602 CG GLN B 20 13.564 -8.196 -6.946 1.00 0.00 C ATOM 603 CD GLN B 20 13.729 -9.369 -7.893 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.835 -9.876 -8.086 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.628 -9.800 -8.495 1.00 0.00 N ATOM 0 H GLN B 20 14.687 -5.870 -6.663 1.00 0.00 H new ATOM 0 HA GLN B 20 13.496 -7.008 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.598 -8.187 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.512 -9.103 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.568 -8.228 -6.505 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.632 -7.266 -7.511 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.733 -9.349 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.677 -10.582 -9.148 1.00 0.00 H new ATOM 614 N GLY B 21 15.116 -6.838 -2.568 1.00 0.00 N ATOM 615 CA GLY B 21 16.040 -6.874 -1.448 1.00 0.00 C ATOM 616 C GLY B 21 15.836 -5.715 -0.490 1.00 0.00 C ATOM 617 O GLY B 21 16.606 -5.537 0.454 1.00 0.00 O ATOM 0 H GLY B 21 14.148 -6.639 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.916 -7.813 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.063 -6.855 -1.824 1.00 0.00 H new ATOM 621 N GLN B 22 14.794 -4.925 -0.734 1.00 0.00 N ATOM 622 CA GLN B 22 14.486 -3.778 0.107 1.00 0.00 C ATOM 623 C GLN B 22 13.210 -4.020 0.902 1.00 0.00 C ATOM 624 O GLN B 22 12.194 -4.447 0.351 1.00 0.00 O ATOM 625 CB GLN B 22 14.329 -2.525 -0.756 1.00 0.00 C ATOM 626 CG GLN B 22 15.508 -2.274 -1.683 1.00 0.00 C ATOM 627 CD GLN B 22 15.291 -1.080 -2.592 1.00 0.00 C ATOM 628 OE1 GLN B 22 15.830 -1.021 -3.697 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.490 -0.125 -2.132 1.00 0.00 N ATOM 0 H GLN B 22 14.148 -5.061 -1.511 1.00 0.00 H new ATOM 0 HA GLN B 22 15.309 -3.634 0.807 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.421 -2.616 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.198 -1.660 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.406 -2.114 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.683 -3.162 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN B 22 14.065 -0.217 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.300 0.700 -2.701 1.00 0.00 H new ATOM 638 N GLU B 23 13.266 -3.747 2.201 1.00 0.00 N ATOM 639 CA GLU B 23 12.102 -3.939 3.068 1.00 0.00 C ATOM 640 C GLU B 23 11.533 -2.603 3.525 1.00 0.00 C ATOM 641 O GLU B 23 12.136 -1.552 3.301 1.00 0.00 O ATOM 642 CB GLU B 23 12.464 -4.780 4.293 1.00 0.00 C ATOM 643 CG GLU B 23 12.942 -6.180 3.955 1.00 0.00 C ATOM 644 CD GLU B 23 13.413 -6.949 5.174 1.00 0.00 C ATOM 645 OE1 GLU B 23 12.564 -7.581 5.840 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.627 -6.920 5.463 1.00 0.00 O ATOM 0 H GLU B 23 14.097 -3.395 2.677 1.00 0.00 H new ATOM 0 HA GLU B 23 11.347 -4.465 2.484 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.243 -4.267 4.857 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.593 -4.851 4.944 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.133 -6.730 3.475 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.757 -6.117 3.233 1.00 0.00 H new ATOM 653 N LEU B 24 10.368 -2.647 4.164 1.00 0.00 N ATOM 654 CA LEU B 24 9.732 -1.433 4.658 1.00 0.00 C ATOM 655 C LEU B 24 8.679 -1.742 5.718 1.00 0.00 C ATOM 656 O LEU B 24 7.979 -2.753 5.641 1.00 0.00 O ATOM 657 CB LEU B 24 9.099 -0.658 3.504 1.00 0.00 C ATOM 658 CG LEU B 24 8.663 0.767 3.852 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.796 1.677 2.640 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.237 0.783 4.383 1.00 0.00 C ATOM 0 H LEU B 24 9.849 -3.505 4.351 1.00 0.00 H new ATOM 0 HA LEU B 24 10.506 -0.821 5.121 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.811 -0.614 2.680 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.231 -1.211 3.146 1.00 0.00 H new ATOM 0 HG LEU B 24 9.320 1.142 4.637 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.482 2.686 2.906 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.835 1.696 2.311 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.167 1.302 1.833 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.950 1.807 4.623 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.562 0.385 3.625 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.176 0.169 5.281 1.00 0.00 H new ATOM 672 N VAL B 25 8.578 -0.857 6.706 1.00 0.00 N ATOM 673 CA VAL B 25 7.610 -1.005 7.786 1.00 0.00 C ATOM 674 C VAL B 25 6.936 0.331 8.085 1.00 0.00 C ATOM 675 O VAL B 25 7.555 1.238 8.640 1.00 0.00 O ATOM 676 CB VAL B 25 8.276 -1.536 9.073 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.260 -1.640 10.201 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.936 -2.883 8.816 1.00 0.00 C ATOM 0 H VAL B 25 9.161 -0.023 6.780 1.00 0.00 H new ATOM 0 HA VAL B 25 6.864 -1.728 7.456 1.00 0.00 H new ATOM 0 HB VAL B 25 9.048 -0.829 9.376 1.00 0.00 H new ATOM 0 HG11 VAL B 25 7.750 -2.016 11.099 1.00 0.00 H new ATOM 0 HG12 VAL B 25 6.839 -0.655 10.403 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.462 -2.323 9.910 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.400 -3.242 9.735 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.184 -3.600 8.486 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.697 -2.774 8.043 1.00 0.00 H new ATOM 688 N LEU B 26 5.665 0.448 7.709 1.00 0.00 N ATOM 689 CA LEU B 26 4.912 1.681 7.927 1.00 0.00 C ATOM 690 C LEU B 26 4.446 1.799 9.375 1.00 0.00 C ATOM 691 O LEU B 26 4.145 0.798 10.026 1.00 0.00 O ATOM 692 CB LEU B 26 3.710 1.740 6.981 1.00 0.00 C ATOM 693 CG LEU B 26 2.940 3.064 6.988 1.00 0.00 C ATOM 694 CD1 LEU B 26 3.829 4.203 6.514 1.00 0.00 C ATOM 695 CD2 LEU B 26 1.697 2.959 6.116 1.00 0.00 C ATOM 0 H LEU B 26 5.135 -0.295 7.253 1.00 0.00 H new ATOM 0 HA LEU B 26 5.575 2.520 7.717 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.057 1.545 5.966 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.022 0.936 7.243 1.00 0.00 H new ATOM 0 HG LEU B 26 2.629 3.276 8.011 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.264 5.135 6.526 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.690 4.292 7.176 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.171 3.999 5.499 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.161 3.908 6.131 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.989 2.724 5.093 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.050 2.170 6.499 1.00 0.00 H new ATOM 707 N THR B 27 4.391 3.033 9.874 1.00 0.00 N ATOM 708 CA THR B 27 3.959 3.292 11.243 1.00 0.00 C ATOM 709 C THR B 27 2.555 3.892 11.268 1.00 0.00 C ATOM 710 O THR B 27 2.353 5.043 10.875 1.00 0.00 O ATOM 711 CB THR B 27 4.928 4.248 11.967 1.00 0.00 C ATOM 712 OG1 THR B 27 6.257 3.713 11.934 1.00 0.00 O ATOM 713 CG2 THR B 27 4.500 4.467 13.410 1.00 0.00 C ATOM 0 H THR B 27 4.641 3.870 9.348 1.00 0.00 H new ATOM 0 HA THR B 27 3.953 2.334 11.762 1.00 0.00 H new ATOM 0 HB THR B 27 4.908 5.208 11.451 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.868 4.326 12.394 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.200 5.145 13.898 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.500 4.901 13.431 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.493 3.512 13.936 1.00 0.00 H new ATOM 721 N LEU B 28 1.589 3.106 11.730 1.00 0.00 N ATOM 722 CA LEU B 28 0.201 3.551 11.801 1.00 0.00 C ATOM 723 C LEU B 28 -0.275 3.850 13.234 1.00 0.00 C ATOM 724 O LEU B 28 -1.277 4.550 13.394 1.00 0.00 O ATOM 725 CB LEU B 28 -0.722 2.508 11.165 1.00 0.00 C ATOM 726 CG LEU B 28 -0.581 2.332 9.647 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.764 3.661 8.928 1.00 0.00 C ATOM 728 CD2 LEU B 28 0.767 1.716 9.301 1.00 0.00 C ATOM 0 H LEU B 28 1.742 2.154 12.062 1.00 0.00 H new ATOM 0 HA LEU B 28 0.155 4.489 11.248 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.536 1.546 11.643 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.754 2.780 11.386 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.365 1.654 9.310 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.660 3.511 7.853 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.756 4.058 9.144 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.008 4.367 9.271 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.847 1.600 8.220 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.566 2.367 9.656 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.854 0.740 9.779 1.00 0.00 H new ATOM 740 N PRO B 29 0.400 3.336 14.300 1.00 0.00 N ATOM 741 CA PRO B 29 -0.010 3.583 15.683 1.00 0.00 C ATOM 742 C PRO B 29 -0.657 4.950 15.881 1.00 0.00 C ATOM 743 O PRO B 29 0.026 5.974 15.907 1.00 0.00 O ATOM 744 CB PRO B 29 1.309 3.493 16.436 1.00 0.00 C ATOM 745 CG PRO B 29 2.089 2.457 15.696 1.00 0.00 C ATOM 746 CD PRO B 29 1.606 2.481 14.263 1.00 0.00 C ATOM 0 HA PRO B 29 -0.771 2.879 16.020 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.828 4.451 16.444 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.154 3.206 17.476 1.00 0.00 H new ATOM 0 HG2 PRO B 29 3.157 2.669 15.747 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.938 1.472 16.138 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.364 2.890 13.594 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.372 1.478 13.905 1.00 0.00 H new ATOM 754 N SER B 30 -1.980 4.952 16.017 1.00 0.00 N ATOM 755 CA SER B 30 -2.731 6.185 16.207 1.00 0.00 C ATOM 756 C SER B 30 -3.366 6.227 17.594 1.00 0.00 C ATOM 757 O SER B 30 -2.904 6.950 18.478 1.00 0.00 O ATOM 758 CB SER B 30 -3.813 6.313 15.131 1.00 0.00 C ATOM 759 OG SER B 30 -4.456 7.573 15.197 1.00 0.00 O ATOM 0 H SER B 30 -2.554 4.109 15.999 1.00 0.00 H new ATOM 0 HA SER B 30 -2.039 7.023 16.121 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.367 6.181 14.145 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.549 5.519 15.256 1.00 0.00 H new ATOM 0 HG SER B 30 -4.926 7.656 16.053 1.00 0.00 H new ATOM 765 N ASN B 31 -4.428 5.446 17.776 1.00 0.00 N ATOM 766 CA ASN B 31 -5.129 5.388 19.055 1.00 0.00 C ATOM 767 C ASN B 31 -6.127 4.229 19.079 1.00 0.00 C ATOM 768 O ASN B 31 -7.295 4.402 18.735 1.00 0.00 O ATOM 769 CB ASN B 31 -5.853 6.711 19.328 1.00 0.00 C ATOM 770 CG ASN B 31 -6.625 7.216 18.125 1.00 0.00 C ATOM 771 OD1 ASN B 31 -6.081 7.930 17.281 1.00 0.00 O ATOM 772 ND2 ASN B 31 -7.898 6.851 18.040 1.00 0.00 N ATOM 0 H ASN B 31 -4.822 4.844 17.053 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.389 5.221 19.838 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.539 6.579 20.165 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -5.124 7.464 19.629 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -8.467 7.163 17.253 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -8.308 6.258 18.762 1.00 0.00 H new ATOM 779 N PRO B 32 -5.673 3.026 19.475 1.00 0.00 N ATOM 780 CA PRO B 32 -6.534 1.839 19.543 1.00 0.00 C ATOM 781 C PRO B 32 -7.647 1.988 20.577 1.00 0.00 C ATOM 782 O PRO B 32 -7.837 3.062 21.146 1.00 0.00 O ATOM 783 CB PRO B 32 -5.578 0.709 19.951 1.00 0.00 C ATOM 784 CG PRO B 32 -4.209 1.235 19.682 1.00 0.00 C ATOM 785 CD PRO B 32 -4.293 2.720 19.880 1.00 0.00 C ATOM 0 HA PRO B 32 -7.041 1.659 18.595 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -5.700 0.451 21.003 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.771 -0.197 19.376 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -3.480 0.791 20.360 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -3.890 0.994 18.668 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.104 3.001 20.916 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -3.565 3.251 19.268 1.00 0.00 H new ATOM 793 N THR B 33 -8.379 0.899 20.808 1.00 0.00 N ATOM 794 CA THR B 33 -9.476 0.886 21.773 1.00 0.00 C ATOM 795 C THR B 33 -10.484 2.001 21.496 1.00 0.00 C ATOM 796 O THR B 33 -11.245 2.393 22.380 1.00 0.00 O ATOM 797 CB THR B 33 -8.963 1.020 23.222 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.416 2.325 23.438 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.904 -0.033 23.517 1.00 0.00 C ATOM 0 H THR B 33 -8.230 0.008 20.335 1.00 0.00 H new ATOM 0 HA THR B 33 -9.971 -0.078 21.659 1.00 0.00 H new ATOM 0 HB THR B 33 -9.807 0.869 23.895 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.560 2.876 22.641 1.00 0.00 H new ATOM 0 HG21 THR B 33 -7.556 0.079 24.544 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.332 -1.027 23.386 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.065 0.094 22.833 1.00 0.00 H new ATOM 807 N THR B 34 -10.493 2.500 20.262 1.00 0.00 N ATOM 808 CA THR B 34 -11.416 3.562 19.873 1.00 0.00 C ATOM 809 C THR B 34 -12.389 3.078 18.805 1.00 0.00 C ATOM 810 O THR B 34 -13.601 3.053 19.018 1.00 0.00 O ATOM 811 CB THR B 34 -10.672 4.803 19.346 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.829 4.438 18.246 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.835 5.442 20.444 1.00 0.00 C ATOM 0 H THR B 34 -9.872 2.186 19.516 1.00 0.00 H new ATOM 0 HA THR B 34 -11.968 3.839 20.771 1.00 0.00 H new ATOM 0 HB THR B 34 -11.414 5.528 19.011 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.933 4.222 18.578 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.320 6.316 20.046 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.484 5.746 21.266 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.101 4.723 20.808 1.00 0.00 H new ATOM 821 N GLY B 35 -11.849 2.691 17.652 1.00 0.00 N ATOM 822 CA GLY B 35 -12.682 2.214 16.565 1.00 0.00 C ATOM 823 C GLY B 35 -12.140 2.610 15.205 1.00 0.00 C ATOM 824 O GLY B 35 -12.223 1.841 14.247 1.00 0.00 O ATOM 0 H GLY B 35 -10.849 2.700 17.453 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.760 1.128 16.620 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.690 2.612 16.681 1.00 0.00 H new ATOM 828 N PHE B 36 -11.585 3.814 15.122 1.00 0.00 N ATOM 829 CA PHE B 36 -11.029 4.317 13.876 1.00 0.00 C ATOM 830 C PHE B 36 -9.574 3.895 13.713 1.00 0.00 C ATOM 831 O PHE B 36 -8.680 4.435 14.368 1.00 0.00 O ATOM 832 CB PHE B 36 -11.133 5.838 13.835 1.00 0.00 C ATOM 833 CG PHE B 36 -12.545 6.349 13.784 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.275 6.525 14.948 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.140 6.651 12.569 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.574 6.995 14.901 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.438 7.123 12.516 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.156 7.295 13.683 1.00 0.00 C ATOM 0 H PHE B 36 -11.509 4.460 15.907 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.603 3.891 13.053 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.639 6.250 14.715 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.592 6.206 12.964 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.825 6.293 15.902 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.583 6.516 11.654 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.134 7.128 15.815 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.890 7.357 11.563 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.171 7.663 13.644 1.00 0.00 H new ATOM 848 N ARG B 37 -9.344 2.924 12.838 1.00 0.00 N ATOM 849 CA ARG B 37 -7.998 2.427 12.573 1.00 0.00 C ATOM 850 C ARG B 37 -7.581 2.725 11.140 1.00 0.00 C ATOM 851 O ARG B 37 -8.235 3.500 10.441 1.00 0.00 O ATOM 852 CB ARG B 37 -7.919 0.920 12.818 1.00 0.00 C ATOM 853 CG ARG B 37 -7.475 0.547 14.226 1.00 0.00 C ATOM 854 CD ARG B 37 -8.533 0.895 15.261 1.00 0.00 C ATOM 855 NE ARG B 37 -9.755 0.117 15.076 1.00 0.00 N ATOM 856 CZ ARG B 37 -10.540 -0.271 16.076 1.00 0.00 C ATOM 857 NH1 ARG B 37 -10.236 0.048 17.327 1.00 0.00 N ATOM 858 NH2 ARG B 37 -11.633 -0.979 15.824 1.00 0.00 N ATOM 0 H ARG B 37 -10.075 2.463 12.297 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.319 2.938 13.255 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.897 0.479 12.627 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.226 0.481 12.101 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.261 -0.521 14.269 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.548 1.067 14.465 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -8.136 0.715 16.260 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -8.767 1.958 15.198 1.00 0.00 H new ATOM 0 HE ARG B 37 -10.021 -0.143 14.126 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -9.397 0.593 17.525 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -10.841 -0.252 18.091 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -11.871 -1.225 14.863 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -12.236 -1.277 16.591 1.00 0.00 H new ATOM 872 N TRP B 38 -6.490 2.101 10.707 1.00 0.00 N ATOM 873 CA TRP B 38 -5.988 2.295 9.354 1.00 0.00 C ATOM 874 C TRP B 38 -6.185 1.039 8.513 1.00 0.00 C ATOM 875 O TRP B 38 -5.426 0.076 8.631 1.00 0.00 O ATOM 876 CB TRP B 38 -4.506 2.680 9.381 1.00 0.00 C ATOM 877 CG TRP B 38 -4.246 4.015 10.009 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.005 4.266 11.330 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.197 5.283 9.344 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.810 5.609 11.525 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.923 6.257 10.325 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.359 5.691 8.016 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.808 7.612 10.018 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.244 7.036 7.713 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.972 7.982 8.709 1.00 0.00 C ATOM 0 H TRP B 38 -5.938 1.457 11.274 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.556 3.107 8.900 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -3.951 1.917 9.926 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.122 2.686 8.361 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.973 3.516 12.107 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.612 6.054 12.421 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.570 4.969 7.241 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.597 8.343 10.784 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.366 7.362 6.691 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.890 9.025 8.440 1.00 0.00 H new ATOM 896 N GLU B 39 -7.212 1.054 7.669 1.00 0.00 N ATOM 897 CA GLU B 39 -7.509 -0.081 6.803 1.00 0.00 C ATOM 898 C GLU B 39 -6.625 -0.055 5.560 1.00 0.00 C ATOM 899 O GLU B 39 -6.437 0.995 4.945 1.00 0.00 O ATOM 900 CB GLU B 39 -8.984 -0.069 6.398 1.00 0.00 C ATOM 901 CG GLU B 39 -9.388 -1.252 5.533 1.00 0.00 C ATOM 902 CD GLU B 39 -10.850 -1.208 5.131 1.00 0.00 C ATOM 903 OE1 GLU B 39 -11.157 -0.631 4.066 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.689 -1.752 5.879 1.00 0.00 O ATOM 0 H GLU B 39 -7.853 1.841 7.567 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.302 -0.997 7.357 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.599 -0.061 7.298 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.196 0.854 5.859 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -8.769 -1.270 4.636 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.192 -2.177 6.075 1.00 0.00 H new ATOM 911 N LEU B 40 -6.085 -1.211 5.194 1.00 0.00 N ATOM 912 CA LEU B 40 -5.219 -1.311 4.026 1.00 0.00 C ATOM 913 C LEU B 40 -6.040 -1.561 2.763 1.00 0.00 C ATOM 914 O LEU B 40 -6.622 -2.632 2.589 1.00 0.00 O ATOM 915 CB LEU B 40 -4.193 -2.432 4.216 1.00 0.00 C ATOM 916 CG LEU B 40 -2.821 -2.176 3.582 1.00 0.00 C ATOM 917 CD1 LEU B 40 -1.871 -3.322 3.890 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.952 -1.981 2.078 1.00 0.00 C ATOM 0 H LEU B 40 -6.231 -2.091 5.688 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.690 -0.364 3.913 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.056 -2.600 5.284 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.602 -3.352 3.798 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.410 -1.262 4.011 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.902 -3.124 3.432 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.751 -3.415 4.969 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.279 -4.250 3.489 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.967 -1.801 1.647 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.385 -2.876 1.631 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.598 -1.126 1.877 1.00 0.00 H new ATOM 930 N ARG B 41 -6.079 -0.563 1.886 1.00 0.00 N ATOM 931 CA ARG B 41 -6.826 -0.664 0.637 1.00 0.00 C ATOM 932 C ARG B 41 -6.046 -1.459 -0.409 1.00 0.00 C ATOM 933 O ARG B 41 -6.496 -2.513 -0.862 1.00 0.00 O ATOM 934 CB ARG B 41 -7.145 0.734 0.099 1.00 0.00 C ATOM 935 CG ARG B 41 -7.931 1.602 1.072 1.00 0.00 C ATOM 936 CD ARG B 41 -9.340 1.069 1.287 1.00 0.00 C ATOM 937 NE ARG B 41 -10.083 0.966 0.034 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.180 0.231 -0.114 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.662 -0.466 0.907 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.799 0.191 -1.289 1.00 0.00 N ATOM 0 H ARG B 41 -5.600 0.328 2.018 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.757 -1.192 0.843 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.212 1.239 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.713 0.636 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.408 1.644 2.027 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.982 2.622 0.691 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.288 0.088 1.760 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.875 1.726 1.973 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.741 1.488 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.190 -0.439 1.811 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.504 -1.029 0.788 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.432 0.724 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.641 -0.373 -1.403 1.00 0.00 H new ATOM 954 N ASN B 42 -4.877 -0.949 -0.790 1.00 0.00 N ATOM 955 CA ASN B 42 -4.038 -1.609 -1.785 1.00 0.00 C ATOM 956 C ASN B 42 -2.625 -1.843 -1.243 1.00 0.00 C ATOM 957 O ASN B 42 -1.817 -0.917 -1.186 1.00 0.00 O ATOM 958 CB ASN B 42 -3.971 -0.764 -3.061 1.00 0.00 C ATOM 959 CG ASN B 42 -3.222 -1.458 -4.181 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.198 -2.686 -4.262 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.605 -0.671 -5.055 1.00 0.00 N ATOM 0 H ASN B 42 -4.490 -0.079 -0.424 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.483 -2.577 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.983 -0.534 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.485 0.186 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.085 -1.080 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.651 0.343 -4.950 1.00 0.00 H new ATOM 968 N PRO B 43 -2.308 -3.088 -0.834 1.00 0.00 N ATOM 969 CA PRO B 43 -0.988 -3.429 -0.294 1.00 0.00 C ATOM 970 C PRO B 43 0.059 -3.647 -1.382 1.00 0.00 C ATOM 971 O PRO B 43 1.199 -4.012 -1.088 1.00 0.00 O ATOM 972 CB PRO B 43 -1.256 -4.730 0.455 1.00 0.00 C ATOM 973 CG PRO B 43 -2.358 -5.378 -0.311 1.00 0.00 C ATOM 974 CD PRO B 43 -3.207 -4.260 -0.862 1.00 0.00 C ATOM 0 HA PRO B 43 -0.580 -2.629 0.324 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.368 -5.361 0.485 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.548 -4.541 1.488 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.960 -5.997 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.946 -6.032 0.333 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.548 -4.478 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.097 -4.096 -0.254 1.00 0.00 H new ATOM 982 N ALA B 44 -0.329 -3.422 -2.635 1.00 0.00 N ATOM 983 CA ALA B 44 0.584 -3.600 -3.759 1.00 0.00 C ATOM 984 C ALA B 44 1.189 -5.001 -3.753 1.00 0.00 C ATOM 985 O ALA B 44 2.292 -5.215 -4.256 1.00 0.00 O ATOM 986 CB ALA B 44 1.686 -2.551 -3.721 1.00 0.00 C ATOM 0 H ALA B 44 -1.267 -3.117 -2.896 1.00 0.00 H new ATOM 0 HA ALA B 44 0.014 -3.477 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.358 -2.698 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.244 -1.556 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.247 -2.646 -2.791 1.00 0.00 H new ATOM 992 N ALA B 45 0.454 -5.953 -3.183 1.00 0.00 N ATOM 993 CA ALA B 45 0.912 -7.336 -3.103 1.00 0.00 C ATOM 994 C ALA B 45 1.214 -7.908 -4.486 1.00 0.00 C ATOM 995 O ALA B 45 1.815 -8.975 -4.608 1.00 0.00 O ATOM 996 CB ALA B 45 -0.129 -8.192 -2.396 1.00 0.00 C ATOM 0 H ALA B 45 -0.464 -5.790 -2.769 1.00 0.00 H new ATOM 0 HA ALA B 45 1.838 -7.348 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.223 -9.222 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.290 -7.810 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.066 -8.158 -2.951 1.00 0.00 H new ATOM 1002 N SER B 46 0.796 -7.189 -5.522 1.00 0.00 N ATOM 1003 CA SER B 46 1.021 -7.625 -6.895 1.00 0.00 C ATOM 1004 C SER B 46 2.511 -7.742 -7.202 1.00 0.00 C ATOM 1005 O SER B 46 2.920 -8.561 -8.025 1.00 0.00 O ATOM 1006 CB SER B 46 0.362 -6.649 -7.872 1.00 0.00 C ATOM 1007 OG SER B 46 0.560 -7.060 -9.215 1.00 0.00 O ATOM 0 H SER B 46 0.300 -6.302 -5.437 1.00 0.00 H new ATOM 0 HA SER B 46 0.572 -8.611 -7.012 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.706 -6.584 -7.662 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.776 -5.651 -7.729 1.00 0.00 H new ATOM 0 HG SER B 46 0.128 -6.421 -9.820 1.00 0.00 H new ATOM 1013 N VAL B 47 3.322 -6.917 -6.540 1.00 0.00 N ATOM 1014 CA VAL B 47 4.764 -6.936 -6.757 1.00 0.00 C ATOM 1015 C VAL B 47 5.532 -6.968 -5.439 1.00 0.00 C ATOM 1016 O VAL B 47 6.726 -7.267 -5.414 1.00 0.00 O ATOM 1017 CB VAL B 47 5.223 -5.710 -7.571 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.509 -5.663 -8.914 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.990 -4.426 -6.789 1.00 0.00 C ATOM 0 H VAL B 47 3.005 -6.232 -5.854 1.00 0.00 H new ATOM 0 HA VAL B 47 4.981 -7.846 -7.317 1.00 0.00 H new ATOM 0 HB VAL B 47 6.293 -5.803 -7.757 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.846 -4.791 -9.475 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.736 -6.567 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.433 -5.597 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.321 -3.574 -7.382 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.928 -4.323 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.554 -4.460 -5.857 1.00 0.00 H new ATOM 1029 N LEU B 48 4.845 -6.659 -4.343 1.00 0.00 N ATOM 1030 CA LEU B 48 5.475 -6.649 -3.027 1.00 0.00 C ATOM 1031 C LEU B 48 5.031 -7.846 -2.190 1.00 0.00 C ATOM 1032 O LEU B 48 3.874 -8.263 -2.246 1.00 0.00 O ATOM 1033 CB LEU B 48 5.141 -5.350 -2.289 1.00 0.00 C ATOM 1034 CG LEU B 48 5.555 -4.066 -3.014 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.062 -2.842 -2.254 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.065 -4.011 -3.192 1.00 0.00 C ATOM 0 H LEU B 48 3.855 -6.413 -4.340 1.00 0.00 H new ATOM 0 HA LEU B 48 6.553 -6.715 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.066 -5.318 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.626 -5.370 -1.313 1.00 0.00 H new ATOM 0 HG LEU B 48 5.095 -4.068 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.365 -1.939 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.975 -2.872 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.493 -2.838 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.337 -3.091 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.548 -4.034 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.394 -4.868 -3.780 1.00 0.00 H new ATOM 1048 N LYS B 49 5.964 -8.396 -1.417 1.00 0.00 N ATOM 1049 CA LYS B 49 5.677 -9.542 -0.560 1.00 0.00 C ATOM 1050 C LYS B 49 6.066 -9.230 0.885 1.00 0.00 C ATOM 1051 O LYS B 49 6.019 -8.076 1.299 1.00 0.00 O ATOM 1052 CB LYS B 49 6.421 -10.781 -1.068 1.00 0.00 C ATOM 1053 CG LYS B 49 5.769 -12.088 -0.672 1.00 0.00 C ATOM 1054 CD LYS B 49 4.957 -12.644 -1.818 1.00 0.00 C ATOM 1055 CE LYS B 49 3.644 -11.894 -1.988 1.00 0.00 C ATOM 1056 NZ LYS B 49 2.856 -12.411 -3.141 1.00 0.00 N ATOM 0 H LYS B 49 6.928 -8.065 -1.367 1.00 0.00 H new ATOM 0 HA LYS B 49 4.607 -9.748 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.488 -10.733 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.441 -10.764 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.533 -12.807 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.126 -11.933 0.195 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.535 -12.580 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.754 -13.700 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.054 -11.983 -1.076 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.848 -10.833 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.969 -11.875 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.409 -12.303 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.639 -13.417 -2.990 1.00 0.00 H new ATOM 1070 N ARG B 50 6.445 -10.253 1.647 1.00 0.00 N ATOM 1071 CA ARG B 50 6.833 -10.066 3.045 1.00 0.00 C ATOM 1072 C ARG B 50 5.679 -9.499 3.861 1.00 0.00 C ATOM 1073 O ARG B 50 5.881 -8.937 4.937 1.00 0.00 O ATOM 1074 CB ARG B 50 8.053 -9.149 3.151 1.00 0.00 C ATOM 1075 CG ARG B 50 9.284 -9.838 3.720 1.00 0.00 C ATOM 1076 CD ARG B 50 9.060 -10.293 5.155 1.00 0.00 C ATOM 1077 NE ARG B 50 10.235 -10.966 5.705 1.00 0.00 N ATOM 1078 CZ ARG B 50 10.250 -11.574 6.888 1.00 0.00 C ATOM 1079 NH1 ARG B 50 9.158 -11.593 7.642 1.00 0.00 N ATOM 1080 NH2 ARG B 50 11.358 -12.164 7.316 1.00 0.00 N ATOM 0 H ARG B 50 6.492 -11.219 1.322 1.00 0.00 H new ATOM 0 HA ARG B 50 7.094 -11.043 3.451 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.290 -8.758 2.162 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.802 -8.295 3.780 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.539 -10.698 3.101 1.00 0.00 H new ATOM 0 HG3 ARG B 50 10.133 -9.156 3.683 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.813 -9.431 5.774 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.205 -10.968 5.192 1.00 0.00 H new ATOM 0 HE ARG B 50 11.091 -10.970 5.151 1.00 0.00 H new ATOM 0 HH11 ARG B 50 8.304 -11.141 7.315 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.172 -12.060 8.549 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.198 -12.151 6.738 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.370 -12.630 8.223 1.00 0.00 H new ATOM 1349 N GLU B 71 -2.214 -1.219 17.919 1.00 0.00 N ATOM 1350 CA GLU B 71 -1.774 -0.390 16.801 1.00 0.00 C ATOM 1351 C GLU B 71 -1.830 -1.166 15.488 1.00 0.00 C ATOM 1352 O GLU B 71 -2.305 -2.300 15.444 1.00 0.00 O ATOM 1353 CB GLU B 71 -0.351 0.122 17.038 1.00 0.00 C ATOM 1354 CG GLU B 71 -0.208 0.995 18.276 1.00 0.00 C ATOM 1355 CD GLU B 71 -0.271 0.200 19.566 1.00 0.00 C ATOM 1356 OE1 GLU B 71 -1.361 0.133 20.171 1.00 0.00 O ATOM 1357 OE2 GLU B 71 0.773 -0.356 19.972 1.00 0.00 O ATOM 0 HA GLU B 71 -2.452 0.461 16.732 1.00 0.00 H new ATOM 0 HB2 GLU B 71 0.321 -0.731 17.127 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -0.030 0.691 16.165 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.741 1.530 18.230 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -0.998 1.746 18.279 1.00 0.00 H new ATOM 1364 N SER B 72 -1.345 -0.542 14.419 1.00 0.00 N ATOM 1365 CA SER B 72 -1.331 -1.172 13.104 1.00 0.00 C ATOM 1366 C SER B 72 0.064 -1.098 12.488 1.00 0.00 C ATOM 1367 O SER B 72 0.691 -0.040 12.475 1.00 0.00 O ATOM 1368 CB SER B 72 -2.349 -0.502 12.181 1.00 0.00 C ATOM 1369 OG SER B 72 -3.667 -0.651 12.680 1.00 0.00 O ATOM 0 H SER B 72 -0.956 0.401 14.438 1.00 0.00 H new ATOM 0 HA SER B 72 -1.603 -2.221 13.224 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.112 0.557 12.082 1.00 0.00 H new ATOM 0 HB3 SER B 72 -2.283 -0.938 11.184 1.00 0.00 H new ATOM 0 HG SER B 72 -4.298 -0.212 12.072 1.00 0.00 H new ATOM 1375 N THR B 73 0.545 -2.228 11.982 1.00 0.00 N ATOM 1376 CA THR B 73 1.867 -2.288 11.370 1.00 0.00 C ATOM 1377 C THR B 73 1.853 -3.139 10.104 1.00 0.00 C ATOM 1378 O THR B 73 1.249 -4.210 10.070 1.00 0.00 O ATOM 1379 CB THR B 73 2.911 -2.859 12.349 1.00 0.00 C ATOM 1380 OG1 THR B 73 2.932 -2.080 13.552 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.298 -2.865 11.722 1.00 0.00 C ATOM 0 H THR B 73 0.040 -3.114 11.983 1.00 0.00 H new ATOM 0 HA THR B 73 2.142 -1.266 11.111 1.00 0.00 H new ATOM 0 HB THR B 73 2.631 -3.886 12.584 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.597 -2.450 14.170 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.017 -3.272 12.433 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.288 -3.481 10.823 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.584 -1.846 11.461 1.00 0.00 H new ATOM 1389 N TRP B 74 2.525 -2.651 9.064 1.00 0.00 N ATOM 1390 CA TRP B 74 2.595 -3.369 7.796 1.00 0.00 C ATOM 1391 C TRP B 74 4.040 -3.500 7.326 1.00 0.00 C ATOM 1392 O TRP B 74 4.766 -2.509 7.235 1.00 0.00 O ATOM 1393 CB TRP B 74 1.772 -2.645 6.725 1.00 0.00 C ATOM 1394 CG TRP B 74 0.396 -2.265 7.178 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.046 -1.010 7.475 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.718 -3.143 7.384 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.366 -1.050 7.852 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.801 -2.347 7.805 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.905 -4.522 7.253 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -3.051 -2.885 8.094 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.146 -5.055 7.541 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.205 -4.239 7.957 1.00 0.00 C ATOM 0 H TRP B 74 3.027 -1.763 9.075 1.00 0.00 H new ATOM 0 HA TRP B 74 2.184 -4.366 7.952 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.305 -1.745 6.416 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.692 -3.285 5.846 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.555 -0.114 7.422 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.930 -0.245 8.123 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.094 -5.159 6.932 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.870 -2.258 8.415 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.302 -6.119 7.444 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.163 -4.687 8.174 1.00 0.00 H new ATOM 1413 N ARG B 75 4.451 -4.728 7.027 1.00 0.00 N ATOM 1414 CA ARG B 75 5.808 -4.991 6.563 1.00 0.00 C ATOM 1415 C ARG B 75 5.790 -5.705 5.215 1.00 0.00 C ATOM 1416 O ARG B 75 4.950 -6.573 4.974 1.00 0.00 O ATOM 1417 CB ARG B 75 6.568 -5.830 7.588 1.00 0.00 C ATOM 1418 CG ARG B 75 8.016 -6.088 7.205 1.00 0.00 C ATOM 1419 CD ARG B 75 8.804 -6.661 8.368 1.00 0.00 C ATOM 1420 NE ARG B 75 8.280 -7.954 8.805 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.817 -8.674 9.785 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.888 -8.231 10.427 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.280 -9.838 10.124 1.00 0.00 N ATOM 0 H ARG B 75 3.862 -5.558 7.098 1.00 0.00 H new ATOM 0 HA ARG B 75 6.316 -4.034 6.442 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.540 -5.324 8.553 1.00 0.00 H new ATOM 0 HB3 ARG B 75 6.058 -6.785 7.714 1.00 0.00 H new ATOM 0 HG2 ARG B 75 8.053 -6.779 6.363 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.478 -5.158 6.874 1.00 0.00 H new ATOM 0 HD2 ARG B 75 9.848 -6.773 8.077 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.779 -5.960 9.202 1.00 0.00 H new ATOM 0 HE ARG B 75 7.456 -8.324 8.331 1.00 0.00 H new ATOM 0 HH11 ARG B 75 10.303 -7.335 10.170 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.298 -8.786 11.179 1.00 0.00 H new ATOM 0 HH21 ARG B 75 7.455 -10.181 9.633 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.692 -10.390 10.876 1.00 0.00 H new ATOM 1437 N PHE B 76 6.713 -5.327 4.335 1.00 0.00 N ATOM 1438 CA PHE B 76 6.801 -5.934 3.008 1.00 0.00 C ATOM 1439 C PHE B 76 8.239 -5.909 2.490 1.00 0.00 C ATOM 1440 O PHE B 76 9.119 -5.288 3.091 1.00 0.00 O ATOM 1441 CB PHE B 76 5.891 -5.202 2.011 1.00 0.00 C ATOM 1442 CG PHE B 76 5.082 -4.087 2.610 1.00 0.00 C ATOM 1443 CD1 PHE B 76 5.617 -2.815 2.734 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.783 -4.308 3.040 1.00 0.00 C ATOM 1445 CE1 PHE B 76 4.872 -1.785 3.280 1.00 0.00 C ATOM 1446 CE2 PHE B 76 3.034 -3.283 3.586 1.00 0.00 C ATOM 1447 CZ PHE B 76 3.579 -2.020 3.706 1.00 0.00 C ATOM 0 H PHE B 76 7.410 -4.604 4.515 1.00 0.00 H new ATOM 0 HA PHE B 76 6.473 -6.969 3.100 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.506 -4.797 1.207 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.212 -5.925 1.560 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.627 -2.625 2.401 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.351 -5.293 2.947 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.301 -0.798 3.373 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.024 -3.470 3.918 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.996 -1.217 4.132 1.00 0.00 H new ATOM 1457 N ARG B 77 8.461 -6.587 1.366 1.00 0.00 N ATOM 1458 CA ARG B 77 9.780 -6.653 0.745 1.00 0.00 C ATOM 1459 C ARG B 77 9.649 -6.923 -0.753 1.00 0.00 C ATOM 1460 O ARG B 77 8.863 -7.772 -1.172 1.00 0.00 O ATOM 1461 CB ARG B 77 10.625 -7.748 1.407 1.00 0.00 C ATOM 1462 CG ARG B 77 12.106 -7.671 1.075 1.00 0.00 C ATOM 1463 CD ARG B 77 12.423 -8.316 -0.264 1.00 0.00 C ATOM 1464 NE ARG B 77 12.028 -9.721 -0.303 1.00 0.00 N ATOM 1465 CZ ARG B 77 12.514 -10.601 -1.174 1.00 0.00 C ATOM 1466 NH1 ARG B 77 13.416 -10.221 -2.072 1.00 0.00 N ATOM 1467 NH2 ARG B 77 12.103 -11.862 -1.147 1.00 0.00 N ATOM 0 H ARG B 77 7.737 -7.102 0.864 1.00 0.00 H new ATOM 0 HA ARG B 77 10.278 -5.693 0.885 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.502 -7.684 2.488 1.00 0.00 H new ATOM 0 HB3 ARG B 77 10.244 -8.722 1.100 1.00 0.00 H new ATOM 0 HG2 ARG B 77 12.420 -6.627 1.058 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.680 -8.164 1.860 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.910 -7.773 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.492 -8.235 -0.461 1.00 0.00 H new ATOM 0 HE ARG B 77 11.340 -10.046 0.376 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.737 -9.253 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.788 -10.897 -2.739 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.413 -12.159 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG B 77 12.477 -12.535 -1.816 1.00 0.00 H new ATOM 1481 N VAL B 78 10.425 -6.196 -1.551 1.00 0.00 N ATOM 1482 CA VAL B 78 10.394 -6.356 -3.003 1.00 0.00 C ATOM 1483 C VAL B 78 10.669 -7.802 -3.406 1.00 0.00 C ATOM 1484 O VAL B 78 11.782 -8.302 -3.243 1.00 0.00 O ATOM 1485 CB VAL B 78 11.426 -5.441 -3.688 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.323 -5.560 -5.203 1.00 0.00 C ATOM 1487 CG2 VAL B 78 11.234 -3.996 -3.248 1.00 0.00 C ATOM 0 H VAL B 78 11.083 -5.491 -1.218 1.00 0.00 H new ATOM 0 HA VAL B 78 9.393 -6.076 -3.330 1.00 0.00 H new ATOM 0 HB VAL B 78 12.424 -5.761 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL B 78 12.060 -4.906 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.512 -6.591 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.323 -5.267 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.972 -3.364 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL B 78 10.232 -3.663 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.360 -3.925 -2.168 1.00 0.00 H new ATOM 1497 N ALA B 79 9.649 -8.468 -3.938 1.00 0.00 N ATOM 1498 CA ALA B 79 9.778 -9.857 -4.361 1.00 0.00 C ATOM 1499 C ALA B 79 9.839 -9.973 -5.881 1.00 0.00 C ATOM 1500 O ALA B 79 10.356 -10.954 -6.417 1.00 0.00 O ATOM 1501 CB ALA B 79 8.622 -10.681 -3.816 1.00 0.00 C ATOM 0 H ALA B 79 8.723 -8.067 -4.086 1.00 0.00 H new ATOM 0 HA ALA B 79 10.714 -10.245 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.729 -11.717 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.626 -10.638 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.681 -10.280 -4.191 1.00 0.00 H new ATOM 1507 N ALA B 80 9.311 -8.966 -6.571 1.00 0.00 N ATOM 1508 CA ALA B 80 9.306 -8.961 -8.029 1.00 0.00 C ATOM 1509 C ALA B 80 9.094 -7.553 -8.574 1.00 0.00 C ATOM 1510 O ALA B 80 8.525 -6.695 -7.898 1.00 0.00 O ATOM 1511 CB ALA B 80 8.231 -9.898 -8.558 1.00 0.00 C ATOM 0 H ALA B 80 8.882 -8.145 -6.144 1.00 0.00 H new ATOM 0 HA ALA B 80 10.280 -9.313 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.240 -9.883 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.427 -10.911 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.255 -9.572 -8.199 1.00 0.00 H new ATOM 1517 N SER B 81 9.551 -7.326 -9.802 1.00 0.00 N ATOM 1518 CA SER B 81 9.419 -6.032 -10.443 1.00 0.00 C ATOM 1519 C SER B 81 7.955 -5.680 -10.666 1.00 0.00 C ATOM 1520 O SER B 81 7.056 -6.410 -10.252 1.00 0.00 O ATOM 1521 CB SER B 81 10.161 -6.042 -11.779 1.00 0.00 C ATOM 1522 OG SER B 81 9.458 -6.800 -12.749 1.00 0.00 O ATOM 0 H SER B 81 10.019 -8.031 -10.372 1.00 0.00 H new ATOM 0 HA SER B 81 9.855 -5.277 -9.789 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.289 -5.020 -12.135 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.159 -6.459 -11.641 1.00 0.00 H new ATOM 0 HG SER B 81 9.953 -6.789 -13.595 1.00 0.00 H new ATOM 1528 N GLY B 82 7.728 -4.555 -11.330 1.00 0.00 N ATOM 1529 CA GLY B 82 6.377 -4.107 -11.605 1.00 0.00 C ATOM 1530 C GLY B 82 6.068 -2.764 -10.972 1.00 0.00 C ATOM 1531 O GLY B 82 6.744 -2.341 -10.033 1.00 0.00 O ATOM 0 H GLY B 82 8.461 -3.941 -11.685 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.233 -4.038 -12.683 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.670 -4.850 -11.236 1.00 0.00 H new ATOM 1535 N ASP B 83 5.043 -2.093 -11.492 1.00 0.00 N ATOM 1536 CA ASP B 83 4.638 -0.794 -10.983 1.00 0.00 C ATOM 1537 C ASP B 83 3.350 -0.899 -10.170 1.00 0.00 C ATOM 1538 O ASP B 83 2.344 -1.422 -10.650 1.00 0.00 O ATOM 1539 CB ASP B 83 4.441 0.177 -12.146 1.00 0.00 C ATOM 1540 CG ASP B 83 3.574 -0.404 -13.245 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.128 -1.051 -14.160 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.341 -0.215 -13.191 1.00 0.00 O ATOM 0 H ASP B 83 4.478 -2.434 -12.270 1.00 0.00 H new ATOM 0 HA ASP B 83 5.425 -0.423 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.986 1.095 -11.775 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.413 0.447 -12.559 1.00 0.00 H new ATOM 1547 N ASP B 84 3.390 -0.399 -8.940 1.00 0.00 N ATOM 1548 CA ASP B 84 2.228 -0.433 -8.058 1.00 0.00 C ATOM 1549 C ASP B 84 2.170 0.816 -7.187 1.00 0.00 C ATOM 1550 O ASP B 84 2.933 1.761 -7.388 1.00 0.00 O ATOM 1551 CB ASP B 84 2.260 -1.686 -7.180 1.00 0.00 C ATOM 1552 CG ASP B 84 1.821 -2.926 -7.932 1.00 0.00 C ATOM 1553 OD1 ASP B 84 2.597 -3.411 -8.780 1.00 0.00 O ATOM 1554 OD2 ASP B 84 0.699 -3.412 -7.671 1.00 0.00 O ATOM 0 H ASP B 84 4.216 0.036 -8.530 1.00 0.00 H new ATOM 0 HA ASP B 84 1.333 -0.461 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.270 -1.834 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.611 -1.539 -6.317 1.00 0.00 H new ATOM 1559 N ARG B 85 1.256 0.818 -6.219 1.00 0.00 N ATOM 1560 CA ARG B 85 1.097 1.957 -5.324 1.00 0.00 C ATOM 1561 C ARG B 85 0.326 1.561 -4.069 1.00 0.00 C ATOM 1562 O ARG B 85 -0.773 1.017 -4.153 1.00 0.00 O ATOM 1563 CB ARG B 85 0.368 3.089 -6.046 1.00 0.00 C ATOM 1564 CG ARG B 85 0.181 4.333 -5.194 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.544 5.430 -5.957 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.731 6.630 -5.147 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.346 7.726 -5.581 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -1.830 7.775 -6.815 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -1.477 8.776 -4.781 1.00 0.00 N ATOM 0 H ARG B 85 0.617 0.045 -6.036 1.00 0.00 H new ATOM 0 HA ARG B 85 2.088 2.298 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.926 3.354 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.609 2.731 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.384 4.079 -4.297 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.154 4.699 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG B 85 0.022 5.683 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.515 5.061 -6.287 1.00 0.00 H new ATOM 0 HE ARG B 85 -0.369 6.628 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -1.731 6.970 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.301 8.617 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.106 8.743 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -1.949 9.616 -5.115 1.00 0.00 H new ATOM 1583 N LEU B 86 0.906 1.841 -2.906 1.00 0.00 N ATOM 1584 CA LEU B 86 0.263 1.517 -1.641 1.00 0.00 C ATOM 1585 C LEU B 86 -0.910 2.452 -1.373 1.00 0.00 C ATOM 1586 O LEU B 86 -0.857 3.641 -1.690 1.00 0.00 O ATOM 1587 CB LEU B 86 1.273 1.595 -0.494 1.00 0.00 C ATOM 1588 CG LEU B 86 2.100 0.327 -0.262 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.026 0.506 0.931 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.195 -0.875 -0.046 1.00 0.00 C ATOM 0 H LEU B 86 1.817 2.290 -2.815 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.118 0.498 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU B 86 1.955 2.423 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.737 1.832 0.425 1.00 0.00 H new ATOM 0 HG LEU B 86 2.704 0.149 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.606 -0.405 1.081 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.702 1.340 0.745 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.434 0.711 1.823 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.804 -1.764 0.117 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.564 -0.703 0.826 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.568 -1.021 -0.925 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.969 1.903 -0.787 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.164 2.678 -0.477 1.00 0.00 C ATOM 1604 C GLU B 87 -3.716 2.300 0.894 1.00 0.00 C ATOM 1605 O GLU B 87 -4.211 1.190 1.085 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.230 2.451 -1.548 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.874 3.053 -2.894 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.024 4.562 -2.920 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -3.349 5.211 -3.749 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.815 5.095 -2.115 1.00 0.00 O ATOM 0 H GLU B 87 -2.023 0.921 -0.517 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.891 3.733 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.390 1.380 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.173 2.877 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.846 2.790 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -4.511 2.616 -3.663 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.623 3.223 1.845 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.122 2.979 3.194 1.00 0.00 C ATOM 1619 C LEU B 88 -5.065 4.095 3.631 1.00 0.00 C ATOM 1620 O LEU B 88 -4.688 5.267 3.658 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.960 2.859 4.186 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.990 1.708 3.911 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.946 2.120 2.881 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.323 1.253 5.201 1.00 0.00 C ATOM 0 H LEU B 88 -3.208 4.145 1.708 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.674 2.039 3.184 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.400 3.794 4.182 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.369 2.737 5.189 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.557 0.870 3.504 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.266 1.288 2.699 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.442 2.393 1.950 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.382 2.974 3.256 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.637 0.434 4.986 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.770 2.085 5.638 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.084 0.914 5.904 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.293 3.722 3.976 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.294 4.690 4.405 1.00 0.00 C ATOM 1638 C VAL B 89 -7.502 4.635 5.915 1.00 0.00 C ATOM 1639 O VAL B 89 -7.161 3.646 6.565 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.639 4.447 3.692 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -9.248 3.122 4.130 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.608 5.593 3.934 1.00 0.00 C ATOM 0 H VAL B 89 -6.618 2.755 3.967 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.923 5.679 4.136 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.445 4.398 2.621 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -10.197 2.970 3.615 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.566 2.309 3.882 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.418 3.138 5.207 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.547 5.391 3.418 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.796 5.691 5.003 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.178 6.520 3.555 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.063 5.707 6.462 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.316 5.793 7.898 1.00 0.00 C ATOM 1654 C TYR B 90 -9.808 5.696 8.199 1.00 0.00 C ATOM 1655 O TYR B 90 -10.558 6.649 7.990 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.758 7.101 8.459 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.919 7.247 9.958 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.705 8.259 10.495 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.286 6.374 10.833 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.855 8.397 11.862 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.430 6.504 12.201 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.216 7.517 12.711 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.362 7.651 14.073 1.00 0.00 O ATOM 0 H TYR B 90 -8.352 6.530 5.934 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.812 4.954 8.377 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.699 7.169 8.209 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.256 7.937 7.967 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.207 8.949 9.833 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.670 5.580 10.437 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.469 9.189 12.263 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.930 5.817 12.867 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.504 6.769 14.475 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.228 4.535 8.692 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.628 4.301 9.029 1.00 0.00 C ATOM 1675 C ARG B 91 -11.805 2.930 9.669 1.00 0.00 C ATOM 1676 O ARG B 91 -10.955 2.052 9.515 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.505 4.406 7.778 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.128 3.416 6.687 1.00 0.00 C ATOM 1679 CD ARG B 91 -13.051 3.535 5.483 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.689 2.600 4.422 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.253 2.599 3.217 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.199 3.480 2.923 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.869 1.717 2.305 1.00 0.00 N ATOM 0 H ARG B 91 -9.616 3.738 8.868 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.936 5.065 9.743 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.546 4.245 8.059 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.435 5.418 7.379 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -11.098 3.591 6.376 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.174 2.402 7.083 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -14.079 3.350 5.794 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.014 4.554 5.097 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.964 1.909 4.615 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.496 4.161 3.622 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.629 3.477 1.998 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -12.141 1.038 2.527 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.302 1.717 1.381 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.907 2.755 10.391 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.200 1.488 11.050 1.00 0.00 C ATOM 1699 C ARG B 92 -13.097 0.336 10.045 1.00 0.00 C ATOM 1700 O ARG B 92 -13.946 0.199 9.163 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.592 1.539 11.676 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.821 2.785 12.519 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.233 2.841 13.076 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.489 4.084 13.800 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.617 4.340 14.453 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.593 3.442 14.475 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.773 5.496 15.086 1.00 0.00 N ATOM 0 H ARG B 92 -13.613 3.477 10.535 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.470 1.317 11.842 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.341 1.500 10.885 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.737 0.655 12.297 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.106 2.803 13.341 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.634 3.672 11.914 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.949 2.744 12.260 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.393 1.994 13.743 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.759 4.797 13.804 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.478 2.552 13.990 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.458 3.641 14.977 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.026 6.190 15.072 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.640 5.690 15.587 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.052 -0.506 10.167 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.818 -1.622 9.242 1.00 0.00 C ATOM 1723 C PRO B 93 -12.682 -2.856 9.502 1.00 0.00 C ATOM 1724 O PRO B 93 -12.222 -3.981 9.308 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.345 -1.948 9.485 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.126 -1.619 10.919 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.007 -0.436 11.211 1.00 0.00 C ATOM 0 HA PRO B 93 -12.073 -1.344 8.219 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.131 -2.997 9.281 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -9.695 -1.358 8.838 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.383 -2.464 11.557 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.079 -1.383 11.110 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -11.437 -0.495 12.211 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.451 0.500 11.157 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.929 -2.661 9.929 1.00 0.00 N ATOM 1736 CA TRP B 94 -14.816 -3.783 10.171 1.00 0.00 C ATOM 1737 C TRP B 94 -16.155 -3.519 9.497 1.00 0.00 C ATOM 1738 O TRP B 94 -17.000 -4.407 9.380 1.00 0.00 O ATOM 1739 CB TRP B 94 -14.993 -3.998 11.676 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.384 -2.750 12.402 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -14.604 -1.984 13.220 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.660 -2.123 12.363 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -15.333 -0.915 13.690 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.599 -0.984 13.178 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -17.845 -2.427 11.713 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -17.694 -0.143 13.356 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -18.928 -1.598 11.883 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -18.850 -0.466 12.701 1.00 0.00 C ATOM 0 H TRP B 94 -14.339 -1.745 10.111 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.384 -4.691 9.750 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -15.753 -4.761 11.842 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.062 -4.379 12.095 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -13.571 -2.186 13.462 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -14.986 -0.190 14.318 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -17.917 -3.301 11.083 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -17.633 0.731 13.987 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -19.855 -1.824 11.377 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -19.719 0.165 12.817 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.330 -2.274 9.053 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.552 -1.843 8.390 1.00 0.00 C ATOM 1761 C GLU B 95 -17.654 -2.435 6.988 1.00 0.00 C ATOM 1762 O GLU B 95 -16.841 -3.272 6.594 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.584 -0.315 8.306 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.342 0.383 9.634 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.290 1.893 9.497 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -16.241 2.415 9.065 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -18.300 2.554 9.820 1.00 0.00 O ATOM 0 H GLU B 95 -15.627 -1.540 9.145 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.400 -2.197 8.975 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.830 0.015 7.591 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -18.552 -0.003 7.915 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.134 0.112 10.332 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.404 0.028 10.062 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.660 -1.992 6.241 1.00 0.00 N ATOM 1775 CA LYS B 96 -18.871 -2.465 4.877 1.00 0.00 C ATOM 1776 C LYS B 96 -18.560 -1.359 3.874 1.00 0.00 C ATOM 1777 O LYS B 96 -17.952 -1.603 2.832 1.00 0.00 O ATOM 1778 CB LYS B 96 -20.314 -2.943 4.697 1.00 0.00 C ATOM 1779 CG LYS B 96 -20.706 -4.071 5.638 1.00 0.00 C ATOM 1780 CD LYS B 96 -19.903 -5.334 5.364 1.00 0.00 C ATOM 1781 CE LYS B 96 -20.306 -6.464 6.298 1.00 0.00 C ATOM 1782 NZ LYS B 96 -19.527 -7.706 6.036 1.00 0.00 N ATOM 0 H LYS B 96 -19.344 -1.304 6.558 1.00 0.00 H new ATOM 0 HA LYS B 96 -18.196 -3.302 4.696 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -20.988 -2.101 4.853 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -20.452 -3.276 3.668 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -20.549 -3.756 6.670 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -21.769 -4.284 5.528 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -20.053 -5.644 4.330 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.840 -5.124 5.483 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -20.155 -6.152 7.331 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -21.370 -6.671 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -19.832 -8.452 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -19.691 -8.019 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -18.514 -7.516 6.174 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.983 -0.141 4.204 1.00 0.00 N ATOM 1797 CA ASP B 97 -18.754 1.015 3.342 1.00 0.00 C ATOM 1798 C ASP B 97 -19.179 2.300 4.042 1.00 0.00 C ATOM 1799 O ASP B 97 -20.346 2.692 3.986 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.519 0.858 2.024 1.00 0.00 C ATOM 1801 CG ASP B 97 -19.303 2.031 1.088 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -18.365 1.967 0.265 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -20.071 3.011 1.176 1.00 0.00 O ATOM 0 H ASP B 97 -19.488 0.071 5.065 1.00 0.00 H new ATOM 0 HA ASP B 97 -17.687 1.073 3.126 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.202 -0.061 1.530 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -20.584 0.756 2.235 1.00 0.00 H new ATOM 1808 N ALA B 98 -18.229 2.952 4.707 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.508 4.192 5.421 1.00 0.00 C ATOM 1810 C ALA B 98 -17.553 5.301 4.990 1.00 0.00 C ATOM 1811 O ALA B 98 -16.535 5.041 4.350 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.416 3.968 6.923 1.00 0.00 C ATOM 0 H ALA B 98 -17.259 2.641 4.766 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.522 4.505 5.173 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.627 4.902 7.444 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.143 3.213 7.223 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.413 3.628 7.179 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.889 6.536 5.347 1.00 0.00 N ATOM 1819 CA GLU B 99 -17.063 7.685 4.997 1.00 0.00 C ATOM 1820 C GLU B 99 -15.890 7.831 5.966 1.00 0.00 C ATOM 1821 O GLU B 99 -16.089 8.056 7.160 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.901 8.963 4.993 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.762 9.114 3.754 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.491 10.444 3.709 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -18.932 11.409 3.147 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -20.623 10.519 4.233 1.00 0.00 O ATOM 0 H GLU B 99 -18.728 6.767 5.879 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.664 7.520 3.996 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.542 8.972 5.875 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.237 9.824 5.073 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.136 9.017 2.867 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.490 8.303 3.721 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.647 7.706 5.463 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.444 7.825 6.290 1.00 0.00 C ATOM 1835 C PRO B 100 -13.090 9.276 6.600 1.00 0.00 C ATOM 1836 O PRO B 100 -13.669 10.202 6.032 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.366 7.189 5.417 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.809 7.473 4.022 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.316 7.434 4.049 1.00 0.00 C ATOM 0 HA PRO B 100 -13.566 7.352 7.264 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.385 7.620 5.619 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -12.287 6.117 5.599 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.450 8.447 3.689 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.412 6.732 3.328 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.748 8.183 3.385 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.698 6.465 3.727 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.134 9.466 7.507 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.698 10.802 7.892 1.00 0.00 C ATOM 1849 C ALA B 101 -10.372 11.157 7.225 1.00 0.00 C ATOM 1850 O ALA B 101 -10.259 12.180 6.551 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.571 10.902 9.404 1.00 0.00 C ATOM 0 H ALA B 101 -11.648 8.709 7.988 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.451 11.515 7.554 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.245 11.906 9.676 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.537 10.697 9.865 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.840 10.175 9.757 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.373 10.302 7.419 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.054 10.520 6.842 1.00 0.00 C ATOM 1859 C GLU B 102 -7.795 9.560 5.689 1.00 0.00 C ATOM 1860 O GLU B 102 -8.665 8.774 5.312 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.971 10.345 7.907 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.681 11.609 8.694 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.708 11.376 9.834 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.487 11.506 9.608 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -6.167 11.065 10.953 1.00 0.00 O ATOM 0 H GLU B 102 -9.454 9.450 7.973 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.023 11.540 6.459 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.277 9.559 8.598 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.053 10.008 7.427 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -6.274 12.365 8.023 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.614 12.006 9.093 1.00 0.00 H new ATOM 1872 N SER B 103 -6.590 9.628 5.139 1.00 0.00 N ATOM 1873 CA SER B 103 -6.201 8.767 4.026 1.00 0.00 C ATOM 1874 C SER B 103 -4.682 8.721 3.883 1.00 0.00 C ATOM 1875 O SER B 103 -3.962 9.455 4.559 1.00 0.00 O ATOM 1876 CB SER B 103 -6.830 9.263 2.721 1.00 0.00 C ATOM 1877 OG SER B 103 -8.242 9.340 2.828 1.00 0.00 O ATOM 0 H SER B 103 -5.861 10.273 5.446 1.00 0.00 H new ATOM 0 HA SER B 103 -6.563 7.760 4.235 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.428 10.245 2.471 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.561 8.591 1.906 1.00 0.00 H new ATOM 0 HG SER B 103 -8.542 8.805 3.592 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.204 7.851 2.997 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.773 7.706 2.761 1.00 0.00 C ATOM 1885 C PHE B 104 -2.515 6.922 1.478 1.00 0.00 C ATOM 1886 O PHE B 104 -3.271 6.015 1.134 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.109 7.003 3.949 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.611 6.914 3.839 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.187 7.982 4.212 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.005 5.761 3.366 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.564 7.903 4.116 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.372 5.675 3.267 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.157 6.747 3.643 1.00 0.00 C ATOM 0 H PHE B 104 -4.789 7.236 2.431 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.341 8.701 2.651 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.366 7.535 4.865 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.518 5.997 4.039 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.271 8.887 4.582 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.615 4.920 3.071 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.176 8.743 4.410 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.832 4.771 2.896 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.232 6.683 3.568 1.00 0.00 H new ATOM 1903 N SER B 105 -1.445 7.278 0.772 1.00 0.00 N ATOM 1904 CA SER B 105 -1.095 6.605 -0.474 1.00 0.00 C ATOM 1905 C SER B 105 0.286 7.034 -0.961 1.00 0.00 C ATOM 1906 O SER B 105 0.632 8.215 -0.908 1.00 0.00 O ATOM 1907 CB SER B 105 -2.139 6.906 -1.550 1.00 0.00 C ATOM 1908 OG SER B 105 -2.173 8.288 -1.858 1.00 0.00 O ATOM 0 H SER B 105 -0.807 8.027 1.041 1.00 0.00 H new ATOM 0 HA SER B 105 -1.075 5.532 -0.281 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.912 6.335 -2.451 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.122 6.583 -1.207 1.00 0.00 H new ATOM 0 HG SER B 105 -2.847 8.453 -2.550 1.00 0.00 H new ATOM 1914 N CYS B 106 1.068 6.070 -1.433 1.00 0.00 N ATOM 1915 CA CYS B 106 2.410 6.347 -1.933 1.00 0.00 C ATOM 1916 C CYS B 106 2.760 5.429 -3.098 1.00 0.00 C ATOM 1917 O CYS B 106 2.491 4.227 -3.059 1.00 0.00 O ATOM 1918 CB CYS B 106 3.439 6.189 -0.813 1.00 0.00 C ATOM 1919 SG CYS B 106 3.330 7.471 0.477 1.00 0.00 S ATOM 0 H CYS B 106 0.796 5.088 -1.480 1.00 0.00 H new ATOM 0 HA CYS B 106 2.430 7.377 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.311 5.210 -0.350 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.439 6.208 -1.246 1.00 0.00 H new ATOM 1924 N ALA B 107 3.363 6.002 -4.135 1.00 0.00 N ATOM 1925 CA ALA B 107 3.748 5.238 -5.317 1.00 0.00 C ATOM 1926 C ALA B 107 4.952 4.345 -5.031 1.00 0.00 C ATOM 1927 O ALA B 107 5.892 4.750 -4.347 1.00 0.00 O ATOM 1928 CB ALA B 107 4.046 6.175 -6.476 1.00 0.00 C ATOM 0 H ALA B 107 3.596 6.994 -4.181 1.00 0.00 H new ATOM 0 HA ALA B 107 2.912 4.594 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.332 5.592 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.158 6.763 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.863 6.843 -6.203 1.00 0.00 H new ATOM 1934 N ILE B 108 4.911 3.126 -5.560 1.00 0.00 N ATOM 1935 CA ILE B 108 5.994 2.165 -5.368 1.00 0.00 C ATOM 1936 C ILE B 108 6.221 1.337 -6.629 1.00 0.00 C ATOM 1937 O ILE B 108 5.370 0.538 -7.019 1.00 0.00 O ATOM 1938 CB ILE B 108 5.698 1.215 -4.190 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.553 2.007 -2.888 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.797 0.166 -4.064 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.144 1.160 -1.701 1.00 0.00 C ATOM 0 H ILE B 108 4.137 2.779 -6.127 1.00 0.00 H new ATOM 0 HA ILE B 108 6.893 2.739 -5.145 1.00 0.00 H new ATOM 0 HB ILE B 108 4.756 0.702 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.501 2.497 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.813 2.795 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.573 -0.497 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.852 -0.416 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.753 0.660 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.062 1.790 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.181 0.691 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.895 0.389 -1.529 1.00 0.00 H new ATOM 1953 N GLN B 109 7.373 1.533 -7.261 1.00 0.00 N ATOM 1954 CA GLN B 109 7.714 0.802 -8.477 1.00 0.00 C ATOM 1955 C GLN B 109 9.134 0.255 -8.393 1.00 0.00 C ATOM 1956 O GLN B 109 10.083 1.005 -8.168 1.00 0.00 O ATOM 1957 CB GLN B 109 7.576 1.711 -9.701 1.00 0.00 C ATOM 1958 CG GLN B 109 6.188 2.313 -9.856 1.00 0.00 C ATOM 1959 CD GLN B 109 6.075 3.208 -11.076 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.752 2.997 -12.082 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.214 4.218 -10.990 1.00 0.00 N ATOM 0 H GLN B 109 8.087 2.192 -6.952 1.00 0.00 H new ATOM 0 HA GLN B 109 7.023 -0.035 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.307 2.517 -9.630 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.818 1.140 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.454 1.511 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.944 2.889 -8.963 1.00 0.00 H new ATOM 0 HE21 GLN B 109 4.673 4.356 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.095 4.855 -11.778 1.00 0.00 H new ATOM 1970 N VAL B 110 9.278 -1.056 -8.580 1.00 0.00 N ATOM 1971 CA VAL B 110 10.590 -1.692 -8.514 1.00 0.00 C ATOM 1972 C VAL B 110 11.489 -1.219 -9.653 1.00 0.00 C ATOM 1973 O VAL B 110 12.278 -0.288 -9.485 1.00 0.00 O ATOM 1974 CB VAL B 110 10.479 -3.230 -8.548 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.849 -3.868 -8.378 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.524 -3.719 -7.472 1.00 0.00 C ATOM 0 H VAL B 110 8.507 -1.694 -8.777 1.00 0.00 H new ATOM 0 HA VAL B 110 11.036 -1.398 -7.564 1.00 0.00 H new ATOM 0 HB VAL B 110 10.082 -3.525 -9.519 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.751 -4.953 -8.405 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.504 -3.543 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.275 -3.566 -7.421 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.458 -4.806 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.892 -3.413 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.536 -3.289 -7.640 1.00 0.00 H new ATOM 1986 N ARG B 111 11.368 -1.861 -10.813 1.00 0.00 N ATOM 1987 CA ARG B 111 12.169 -1.500 -11.974 1.00 0.00 C ATOM 1988 C ARG B 111 11.767 -0.126 -12.505 1.00 0.00 C ATOM 1989 O ARG B 111 12.382 0.874 -12.081 1.00 0.00 O ATOM 1990 CB ARG B 111 12.010 -2.553 -13.070 1.00 0.00 C ATOM 1991 CG ARG B 111 12.633 -3.889 -12.729 1.00 0.00 C ATOM 1992 CD ARG B 111 14.138 -3.779 -12.697 1.00 0.00 C ATOM 1993 NE ARG B 111 14.779 -5.041 -12.335 1.00 0.00 N ATOM 1994 CZ ARG B 111 16.088 -5.254 -12.424 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.892 -4.294 -12.858 1.00 0.00 N ATOM 1996 NH2 ARG B 111 16.595 -6.431 -12.077 1.00 0.00 N ATOM 1997 OXT ARG B 111 10.841 -0.062 -13.342 1.00 0.00 O ATOM 0 H ARG B 111 10.722 -2.634 -10.971 1.00 0.00 H new ATOM 0 HA ARG B 111 13.215 -1.458 -11.669 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.948 -2.698 -13.270 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.459 -2.177 -13.989 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.267 -4.231 -11.761 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.333 -4.635 -13.465 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.497 -3.459 -13.675 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.429 -3.009 -11.983 1.00 0.00 H new ATOM 0 HE ARG B 111 14.189 -5.801 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.507 -3.388 -13.125 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.896 -4.461 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG B 111 15.980 -7.172 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG B 111 17.600 -6.594 -12.146 1.00 0.00 H new