USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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: A 46 TYR OH : rot -140:sc= 0.162 USER MOD Set 1.2: A 70 THR OG1 : rot 159:sc=-0.00978 USER MOD Single : A 32 LYS NZ :NH3+ -111:sc= 0.304 (180deg=-1.49!) USER MOD Single : A 49 MET CE :methyl -167:sc= -0.0887 (180deg=-0.468) USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 1.13 (180deg=-0.159) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 85:sc= 0.893 USER MOD Single : A 78 SER OG : rot 31:sc= -0.156 USER MOD Single : A 79 GLN : amide:sc= -1.84 K(o=-1.8,f=-5.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 65:sc= 0.937 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0206 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.413 -1.596 -1.861 1.00 0.00 N ATOM 369 CA PHE A 27 2.689 -0.504 -2.500 1.00 0.00 C ATOM 370 C PHE A 27 3.000 0.826 -1.821 1.00 0.00 C ATOM 371 O PHE A 27 2.675 1.030 -0.651 1.00 0.00 O ATOM 372 CB PHE A 27 1.183 -0.770 -2.459 1.00 0.00 C ATOM 373 CG PHE A 27 0.375 0.236 -3.228 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.514 0.351 -4.602 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.522 1.067 -2.577 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.228 1.277 -5.312 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.266 1.995 -3.282 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.120 2.099 -4.651 1.00 0.00 C ATOM 0 HA PHE A 27 3.013 -0.446 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.987 -1.764 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.851 -0.774 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.209 -0.290 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.642 0.989 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.110 1.358 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.961 2.638 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.702 2.821 -5.204 1.00 0.00 H new ATOM 388 N ASP A 28 3.633 1.728 -2.563 1.00 0.00 N ATOM 389 CA ASP A 28 3.989 3.040 -2.034 1.00 0.00 C ATOM 390 C ASP A 28 3.110 4.128 -2.642 1.00 0.00 C ATOM 391 O ASP A 28 3.368 5.318 -2.468 1.00 0.00 O ATOM 392 CB ASP A 28 5.462 3.343 -2.311 1.00 0.00 C ATOM 393 CG ASP A 28 5.779 3.370 -3.793 1.00 0.00 C ATOM 394 OD1 ASP A 28 5.650 4.450 -4.408 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.156 2.312 -4.339 1.00 0.00 O ATOM 0 H ASP A 28 3.910 1.575 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 28 3.826 3.026 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.721 4.305 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.082 2.591 -1.823 1.00 0.00 H new ATOM 400 N GLY A 29 2.069 3.711 -3.357 1.00 0.00 N ATOM 401 CA GLY A 29 1.169 4.662 -3.981 1.00 0.00 C ATOM 402 C GLY A 29 0.375 5.460 -2.967 1.00 0.00 C ATOM 403 O GLY A 29 0.930 5.963 -1.990 1.00 0.00 O ATOM 0 H GLY A 29 1.833 2.731 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.744 5.345 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.482 4.130 -4.638 1.00 0.00 H new ATOM 407 N VAL A 30 -0.929 5.579 -3.198 1.00 0.00 N ATOM 408 CA VAL A 30 -1.801 6.323 -2.297 1.00 0.00 C ATOM 409 C VAL A 30 -3.255 5.897 -2.464 1.00 0.00 C ATOM 410 O VAL A 30 -3.704 5.600 -3.571 1.00 0.00 O ATOM 411 CB VAL A 30 -1.692 7.840 -2.536 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.590 8.599 -1.570 1.00 0.00 C ATOM 413 CG2 VAL A 30 -0.247 8.297 -2.403 1.00 0.00 C ATOM 0 H VAL A 30 -1.405 5.169 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.473 6.098 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.026 8.055 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.500 9.670 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.625 8.292 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.289 8.380 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.188 9.372 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.116 8.069 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.368 7.778 -3.138 1.00 0.00 H new ATOM 423 N VAL A 31 -3.989 5.869 -1.355 1.00 0.00 N ATOM 424 CA VAL A 31 -5.394 5.480 -1.378 1.00 0.00 C ATOM 425 C VAL A 31 -6.301 6.704 -1.432 1.00 0.00 C ATOM 426 O VAL A 31 -6.061 7.700 -0.748 1.00 0.00 O ATOM 427 CB VAL A 31 -5.763 4.635 -0.144 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.131 3.996 -0.325 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.700 3.577 0.113 1.00 0.00 C ATOM 0 H VAL A 31 -3.633 6.111 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.542 4.881 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.808 5.291 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.375 3.403 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.882 4.775 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.118 3.351 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.976 2.989 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.622 2.922 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.740 4.061 0.290 1.00 0.00 H new ATOM 439 N LYS A 32 -7.346 6.624 -2.248 1.00 0.00 N ATOM 440 CA LYS A 32 -8.293 7.724 -2.391 1.00 0.00 C ATOM 441 C LYS A 32 -9.468 7.558 -1.433 1.00 0.00 C ATOM 442 O LYS A 32 -9.904 8.519 -0.799 1.00 0.00 O ATOM 443 CB LYS A 32 -8.803 7.801 -3.832 1.00 0.00 C ATOM 444 CG LYS A 32 -7.699 7.725 -4.873 1.00 0.00 C ATOM 445 CD LYS A 32 -6.875 9.002 -4.905 1.00 0.00 C ATOM 446 CE LYS A 32 -5.698 8.930 -3.945 1.00 0.00 C ATOM 447 NZ LYS A 32 -4.521 8.254 -4.559 1.00 0.00 N ATOM 0 H LYS A 32 -7.559 5.808 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.775 8.651 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.508 6.988 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.353 8.733 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.050 6.877 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.136 7.548 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.510 9.175 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.507 9.851 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.418 9.938 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.996 8.393 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.367 7.336 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.696 8.105 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.677 8.849 -4.438 1.00 0.00 H new ATOM 461 N ASP A 33 -9.974 6.334 -1.332 1.00 0.00 N ATOM 462 CA ASP A 33 -11.098 6.043 -0.448 1.00 0.00 C ATOM 463 C ASP A 33 -10.940 4.669 0.196 1.00 0.00 C ATOM 464 O ASP A 33 -10.178 3.831 -0.285 1.00 0.00 O ATOM 465 CB ASP A 33 -12.414 6.108 -1.224 1.00 0.00 C ATOM 466 CG ASP A 33 -12.738 7.511 -1.699 1.00 0.00 C ATOM 467 OD1 ASP A 33 -13.094 8.356 -0.851 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.635 7.764 -2.917 1.00 0.00 O ATOM 0 H ASP A 33 -9.625 5.528 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.113 6.795 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.359 5.440 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.224 5.746 -0.591 1.00 0.00 H new ATOM 473 N ALA A 34 -11.665 4.446 1.287 1.00 0.00 N ATOM 474 CA ALA A 34 -11.606 3.174 1.997 1.00 0.00 C ATOM 475 C ALA A 34 -11.725 2.000 1.031 1.00 0.00 C ATOM 476 O ALA A 34 -10.918 1.072 1.065 1.00 0.00 O ATOM 477 CB ALA A 34 -12.701 3.106 3.050 1.00 0.00 C ATOM 0 H ALA A 34 -12.300 5.130 1.699 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.637 3.107 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.645 2.151 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.570 3.918 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.675 3.200 2.569 1.00 0.00 H new ATOM 483 N GLU A 35 -12.737 2.049 0.170 1.00 0.00 N ATOM 484 CA GLU A 35 -12.962 0.988 -0.804 1.00 0.00 C ATOM 485 C GLU A 35 -11.677 0.662 -1.561 1.00 0.00 C ATOM 486 O GLU A 35 -11.307 -0.503 -1.703 1.00 0.00 O ATOM 487 CB GLU A 35 -14.058 1.394 -1.791 1.00 0.00 C ATOM 488 CG GLU A 35 -15.391 1.700 -1.128 1.00 0.00 C ATOM 489 CD GLU A 35 -16.523 1.834 -2.129 1.00 0.00 C ATOM 490 OE1 GLU A 35 -17.153 0.806 -2.453 1.00 0.00 O ATOM 491 OE2 GLU A 35 -16.778 2.968 -2.587 1.00 0.00 O ATOM 0 H GLU A 35 -13.413 2.811 0.127 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.282 0.097 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.728 2.272 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.198 0.592 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.630 0.908 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.305 2.624 -0.557 1.00 0.00 H new ATOM 498 N GLU A 36 -11.002 1.701 -2.043 1.00 0.00 N ATOM 499 CA GLU A 36 -9.760 1.526 -2.786 1.00 0.00 C ATOM 500 C GLU A 36 -8.679 0.911 -1.901 1.00 0.00 C ATOM 501 O GLU A 36 -7.856 0.123 -2.365 1.00 0.00 O ATOM 502 CB GLU A 36 -9.277 2.867 -3.341 1.00 0.00 C ATOM 503 CG GLU A 36 -7.983 2.770 -4.131 1.00 0.00 C ATOM 504 CD GLU A 36 -7.871 3.839 -5.200 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.778 3.924 -6.054 1.00 0.00 O ATOM 506 OE2 GLU A 36 -6.874 4.591 -5.183 1.00 0.00 O ATOM 0 H GLU A 36 -11.294 2.672 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.957 0.848 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.053 3.286 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.136 3.563 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.138 2.854 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.919 1.787 -4.597 1.00 0.00 H new ATOM 513 N ALA A 37 -8.688 1.278 -0.624 1.00 0.00 N ATOM 514 CA ALA A 37 -7.711 0.763 0.327 1.00 0.00 C ATOM 515 C ALA A 37 -7.828 -0.751 0.468 1.00 0.00 C ATOM 516 O ALA A 37 -6.835 -1.442 0.692 1.00 0.00 O ATOM 517 CB ALA A 37 -7.885 1.436 1.680 1.00 0.00 C ATOM 0 H ALA A 37 -9.362 1.931 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.715 0.991 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.149 1.041 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.743 2.511 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.888 1.238 2.059 1.00 0.00 H new ATOM 523 N VAL A 38 -9.049 -1.260 0.337 1.00 0.00 N ATOM 524 CA VAL A 38 -9.296 -2.693 0.450 1.00 0.00 C ATOM 525 C VAL A 38 -8.765 -3.439 -0.769 1.00 0.00 C ATOM 526 O VAL A 38 -8.102 -4.468 -0.639 1.00 0.00 O ATOM 527 CB VAL A 38 -10.798 -2.993 0.607 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.043 -4.494 0.644 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.346 -2.324 1.859 1.00 0.00 C ATOM 0 H VAL A 38 -9.882 -0.702 0.153 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.770 -3.036 1.341 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.324 -2.585 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.110 -4.686 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.688 -4.944 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.506 -4.930 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.409 -2.546 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.816 -2.700 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.206 -1.245 1.786 1.00 0.00 H new ATOM 539 N ARG A 39 -9.061 -2.914 -1.953 1.00 0.00 N ATOM 540 CA ARG A 39 -8.615 -3.531 -3.196 1.00 0.00 C ATOM 541 C ARG A 39 -7.094 -3.660 -3.224 1.00 0.00 C ATOM 542 O ARG A 39 -6.557 -4.728 -3.518 1.00 0.00 O ATOM 543 CB ARG A 39 -9.089 -2.712 -4.397 1.00 0.00 C ATOM 544 CG ARG A 39 -10.564 -2.895 -4.715 1.00 0.00 C ATOM 545 CD ARG A 39 -11.063 -1.830 -5.679 1.00 0.00 C ATOM 546 NE ARG A 39 -12.436 -2.080 -6.109 1.00 0.00 N ATOM 547 CZ ARG A 39 -12.775 -3.036 -6.967 1.00 0.00 C ATOM 548 NH1 ARG A 39 -11.846 -3.828 -7.483 1.00 0.00 N ATOM 549 NH2 ARG A 39 -14.046 -3.202 -7.309 1.00 0.00 N ATOM 0 H ARG A 39 -9.608 -2.062 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.049 -4.529 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.896 -1.657 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.500 -2.990 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.724 -3.883 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.144 -2.853 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.006 -0.852 -5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.410 -1.797 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.175 -1.488 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.868 -3.704 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.109 -4.561 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.764 -2.595 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.305 -3.936 -7.968 1.00 0.00 H new ATOM 563 N ILE A 40 -6.408 -2.565 -2.915 1.00 0.00 N ATOM 564 CA ILE A 40 -4.950 -2.556 -2.904 1.00 0.00 C ATOM 565 C ILE A 40 -4.402 -3.541 -1.877 1.00 0.00 C ATOM 566 O ILE A 40 -3.498 -4.322 -2.172 1.00 0.00 O ATOM 567 CB ILE A 40 -4.398 -1.151 -2.596 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.912 -0.141 -3.625 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.877 -1.172 -2.580 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.627 1.297 -3.253 1.00 0.00 C ATOM 0 H ILE A 40 -6.838 -1.673 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.625 -2.855 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.748 -0.847 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.456 -0.355 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.988 -0.271 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.502 -0.172 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.531 -1.866 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.507 -1.493 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.019 1.957 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.106 1.528 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.551 1.443 -3.162 1.00 0.00 H new ATOM 582 N ALA A 41 -4.957 -3.500 -0.670 1.00 0.00 N ATOM 583 CA ALA A 41 -4.527 -4.391 0.400 1.00 0.00 C ATOM 584 C ALA A 41 -4.544 -5.846 -0.058 1.00 0.00 C ATOM 585 O ALA A 41 -3.526 -6.536 -0.003 1.00 0.00 O ATOM 586 CB ALA A 41 -5.411 -4.210 1.625 1.00 0.00 C ATOM 0 H ALA A 41 -5.706 -2.859 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.502 -4.133 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.078 -4.882 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.345 -3.179 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.444 -4.439 1.365 1.00 0.00 H new ATOM 592 N ARG A 42 -5.707 -6.306 -0.508 1.00 0.00 N ATOM 593 CA ARG A 42 -5.857 -7.679 -0.972 1.00 0.00 C ATOM 594 C ARG A 42 -4.701 -8.073 -1.888 1.00 0.00 C ATOM 595 O ARG A 42 -4.138 -9.159 -1.759 1.00 0.00 O ATOM 596 CB ARG A 42 -7.187 -7.848 -1.711 1.00 0.00 C ATOM 597 CG ARG A 42 -8.403 -7.744 -0.806 1.00 0.00 C ATOM 598 CD ARG A 42 -9.666 -7.453 -1.601 1.00 0.00 C ATOM 599 NE ARG A 42 -10.283 -8.673 -2.115 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.370 -8.681 -2.878 1.00 0.00 C ATOM 601 NH1 ARG A 42 -11.956 -7.541 -3.215 1.00 0.00 N ATOM 602 NH2 ARG A 42 -11.872 -9.832 -3.307 1.00 0.00 N ATOM 0 H ARG A 42 -6.559 -5.747 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.847 -8.333 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.259 -7.090 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.196 -8.818 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.527 -8.675 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.244 -6.955 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.379 -6.925 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.426 -6.790 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.856 -9.568 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.572 -6.654 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.791 -7.550 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.423 -10.711 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.707 -9.837 -3.893 1.00 0.00 H new ATOM 616 N GLU A 43 -4.355 -7.182 -2.812 1.00 0.00 N ATOM 617 CA GLU A 43 -3.267 -7.438 -3.749 1.00 0.00 C ATOM 618 C GLU A 43 -1.949 -7.643 -3.009 1.00 0.00 C ATOM 619 O GLU A 43 -1.149 -8.506 -3.372 1.00 0.00 O ATOM 620 CB GLU A 43 -3.134 -6.278 -4.738 1.00 0.00 C ATOM 621 CG GLU A 43 -4.006 -6.430 -5.974 1.00 0.00 C ATOM 622 CD GLU A 43 -3.308 -7.180 -7.092 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.522 -8.102 -6.786 1.00 0.00 O ATOM 624 OE2 GLU A 43 -3.547 -6.846 -8.271 1.00 0.00 O ATOM 0 H GLU A 43 -4.812 -6.278 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.501 -8.350 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.394 -5.348 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.092 -6.192 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.922 -6.956 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.299 -5.443 -6.331 1.00 0.00 H new ATOM 631 N ILE A 44 -1.729 -6.844 -1.970 1.00 0.00 N ATOM 632 CA ILE A 44 -0.508 -6.938 -1.179 1.00 0.00 C ATOM 633 C ILE A 44 -0.508 -8.195 -0.316 1.00 0.00 C ATOM 634 O ILE A 44 0.538 -8.799 -0.081 1.00 0.00 O ATOM 635 CB ILE A 44 -0.329 -5.706 -0.272 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.181 -4.440 -1.117 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.878 -5.888 0.636 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.059 -3.175 -0.296 1.00 0.00 C ATOM 0 H ILE A 44 -2.380 -6.124 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 44 0.322 -6.984 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.216 -5.601 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.700 -4.538 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.043 -4.352 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.991 -5.009 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.734 -6.770 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.774 -6.015 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.043 -2.318 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.951 -3.053 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.819 -3.242 0.347 1.00 0.00 H new ATOM 650 N GLY A 45 -1.690 -8.586 0.151 1.00 0.00 N ATOM 651 CA GLY A 45 -1.804 -9.771 0.982 1.00 0.00 C ATOM 652 C GLY A 45 -1.800 -9.444 2.462 1.00 0.00 C ATOM 653 O GLY A 45 -0.781 -9.023 3.009 1.00 0.00 O ATOM 0 H GLY A 45 -2.570 -8.104 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.724 -10.299 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.978 -10.447 0.760 1.00 0.00 H new ATOM 657 N TYR A 46 -2.943 -9.637 3.111 1.00 0.00 N ATOM 658 CA TYR A 46 -3.068 -9.356 4.537 1.00 0.00 C ATOM 659 C TYR A 46 -2.126 -10.237 5.351 1.00 0.00 C ATOM 660 O TYR A 46 -1.761 -11.341 4.945 1.00 0.00 O ATOM 661 CB TYR A 46 -4.511 -9.573 4.995 1.00 0.00 C ATOM 662 CG TYR A 46 -5.496 -8.608 4.375 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.668 -7.331 4.894 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.255 -8.974 3.270 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.567 -6.446 4.331 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.155 -8.095 2.700 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.308 -6.832 3.234 1.00 0.00 C ATOM 668 OH TYR A 46 -8.204 -5.954 2.669 1.00 0.00 O ATOM 0 H TYR A 46 -3.795 -9.986 2.673 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.794 -8.314 4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.811 -10.592 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.557 -9.478 6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.089 -7.025 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.139 -9.962 2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.689 -5.457 4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.736 -8.395 1.840 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.017 -6.437 2.411 1.00 0.00 H new ATOM 678 N PRO A 47 -1.722 -9.739 6.529 1.00 0.00 N ATOM 679 CA PRO A 47 -2.149 -8.426 7.021 1.00 0.00 C ATOM 680 C PRO A 47 -1.543 -7.280 6.218 1.00 0.00 C ATOM 681 O PRO A 47 -0.542 -7.456 5.524 1.00 0.00 O ATOM 682 CB PRO A 47 -1.631 -8.401 8.461 1.00 0.00 C ATOM 683 CG PRO A 47 -0.476 -9.343 8.464 1.00 0.00 C ATOM 684 CD PRO A 47 -0.816 -10.418 7.470 1.00 0.00 C ATOM 0 HA PRO A 47 -3.228 -8.292 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.324 -7.397 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.401 -8.717 9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.445 -8.832 8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.319 -9.765 9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.074 -10.797 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.299 -11.270 7.949 1.00 0.00 H new ATOM 692 N VAL A 48 -2.157 -6.105 6.316 1.00 0.00 N ATOM 693 CA VAL A 48 -1.677 -4.929 5.600 1.00 0.00 C ATOM 694 C VAL A 48 -1.635 -3.709 6.512 1.00 0.00 C ATOM 695 O VAL A 48 -2.644 -3.332 7.109 1.00 0.00 O ATOM 696 CB VAL A 48 -2.564 -4.615 4.380 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.487 -5.740 3.360 1.00 0.00 C ATOM 698 CG2 VAL A 48 -4.002 -4.375 4.815 1.00 0.00 C ATOM 0 H VAL A 48 -2.988 -5.942 6.884 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.668 -5.157 5.257 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.195 -3.704 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.120 -5.500 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.456 -5.859 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.830 -6.669 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.615 -4.155 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.386 -5.266 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.038 -3.532 5.505 1.00 0.00 H new ATOM 708 N MET A 49 -0.462 -3.094 6.615 1.00 0.00 N ATOM 709 CA MET A 49 -0.289 -1.913 7.454 1.00 0.00 C ATOM 710 C MET A 49 -0.763 -0.657 6.730 1.00 0.00 C ATOM 711 O MET A 49 -0.540 -0.500 5.529 1.00 0.00 O ATOM 712 CB MET A 49 1.178 -1.759 7.859 1.00 0.00 C ATOM 713 CG MET A 49 1.429 -0.595 8.803 1.00 0.00 C ATOM 714 SD MET A 49 3.183 -0.229 9.004 1.00 0.00 S ATOM 715 CE MET A 49 3.807 -1.829 9.512 1.00 0.00 C ATOM 0 H MET A 49 0.383 -3.393 6.128 1.00 0.00 H new ATOM 0 HA MET A 49 -0.894 -2.044 8.351 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.514 -2.681 8.335 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.782 -1.625 6.962 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.918 0.291 8.425 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.995 -0.822 9.777 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.821 -1.719 9.895 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.166 -2.238 10.293 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.814 -2.505 8.657 1.00 0.00 H new ATOM 725 N ILE A 50 -1.419 0.233 7.467 1.00 0.00 N ATOM 726 CA ILE A 50 -1.924 1.475 6.894 1.00 0.00 C ATOM 727 C ILE A 50 -1.367 2.687 7.633 1.00 0.00 C ATOM 728 O ILE A 50 -1.601 2.860 8.829 1.00 0.00 O ATOM 729 CB ILE A 50 -3.463 1.527 6.930 1.00 0.00 C ATOM 730 CG1 ILE A 50 -4.053 0.390 6.093 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.959 2.875 6.429 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.460 0.010 6.498 1.00 0.00 C ATOM 0 H ILE A 50 -1.613 0.117 8.462 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.593 1.502 5.856 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.793 1.402 7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.052 0.684 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.410 -0.486 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.048 2.896 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.562 3.667 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.622 3.028 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.815 -0.802 5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.464 -0.315 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.117 0.873 6.385 1.00 0.00 H new ATOM 744 N LYS A 51 -0.631 3.526 6.912 1.00 0.00 N ATOM 745 CA LYS A 51 -0.043 4.725 7.497 1.00 0.00 C ATOM 746 C LYS A 51 -0.487 5.973 6.740 1.00 0.00 C ATOM 747 O LYS A 51 -1.088 5.881 5.670 1.00 0.00 O ATOM 748 CB LYS A 51 1.484 4.626 7.487 1.00 0.00 C ATOM 749 CG LYS A 51 2.008 3.263 7.907 1.00 0.00 C ATOM 750 CD LYS A 51 2.160 2.333 6.715 1.00 0.00 C ATOM 751 CE LYS A 51 3.528 2.478 6.066 1.00 0.00 C ATOM 752 NZ LYS A 51 4.533 1.570 6.682 1.00 0.00 N ATOM 0 H LYS A 51 -0.427 3.397 5.921 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.389 4.804 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.848 4.853 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.893 5.385 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.971 3.380 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.327 2.818 8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.016 1.301 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.383 2.550 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.449 2.263 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.866 3.510 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.351 2.125 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.106 1.079 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.845 0.870 5.979 1.00 0.00 H new ATOM 766 N ALA A 52 -0.186 7.139 7.303 1.00 0.00 N ATOM 767 CA ALA A 52 -0.551 8.405 6.679 1.00 0.00 C ATOM 768 C ALA A 52 0.550 8.893 5.743 1.00 0.00 C ATOM 769 O ALA A 52 1.660 9.196 6.179 1.00 0.00 O ATOM 770 CB ALA A 52 -0.844 9.452 7.743 1.00 0.00 C ATOM 0 H ALA A 52 0.309 7.233 8.190 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.451 8.244 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.115 10.392 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.669 9.113 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.042 9.602 8.360 1.00 0.00 H new ATOM 776 N SER A 53 0.234 8.966 4.454 1.00 0.00 N ATOM 777 CA SER A 53 1.198 9.413 3.455 1.00 0.00 C ATOM 778 C SER A 53 1.886 10.699 3.902 1.00 0.00 C ATOM 779 O SER A 53 3.110 10.813 3.844 1.00 0.00 O ATOM 780 CB SER A 53 0.504 9.633 2.109 1.00 0.00 C ATOM 781 OG SER A 53 1.400 9.420 1.033 1.00 0.00 O ATOM 0 H SER A 53 -0.682 8.721 4.077 1.00 0.00 H new ATOM 0 HA SER A 53 1.955 8.637 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.345 8.955 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.109 10.648 2.062 1.00 0.00 H new ATOM 0 HG SER A 53 0.932 9.565 0.184 1.00 0.00 H new ATOM 787 N ALA A 54 1.090 11.665 4.348 1.00 0.00 N ATOM 788 CA ALA A 54 1.622 12.942 4.806 1.00 0.00 C ATOM 789 C ALA A 54 2.714 12.739 5.851 1.00 0.00 C ATOM 790 O ALA A 54 3.682 13.496 5.907 1.00 0.00 O ATOM 791 CB ALA A 54 0.504 13.807 5.370 1.00 0.00 C ATOM 0 H ALA A 54 0.074 11.587 4.402 1.00 0.00 H new ATOM 0 HA ALA A 54 2.065 13.451 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.915 14.758 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.241 13.989 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.036 13.294 6.210 1.00 0.00 H new ATOM 871 N ARG A 62 -2.556 2.510 12.265 1.00 0.00 N ATOM 872 CA ARG A 62 -3.300 1.286 12.538 1.00 0.00 C ATOM 873 C ARG A 62 -3.069 0.252 11.440 1.00 0.00 C ATOM 874 O ARG A 62 -2.677 0.595 10.324 1.00 0.00 O ATOM 875 CB ARG A 62 -4.795 1.590 12.661 1.00 0.00 C ATOM 876 CG ARG A 62 -5.550 0.593 13.526 1.00 0.00 C ATOM 877 CD ARG A 62 -7.054 0.762 13.387 1.00 0.00 C ATOM 878 NE ARG A 62 -7.791 -0.223 14.173 1.00 0.00 N ATOM 879 CZ ARG A 62 -9.116 -0.320 14.175 1.00 0.00 C ATOM 880 NH1 ARG A 62 -9.845 0.504 13.435 1.00 0.00 N ATOM 881 NH2 ARG A 62 -9.714 -1.243 14.918 1.00 0.00 N ATOM 0 HA ARG A 62 -2.940 0.875 13.481 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.921 2.589 13.079 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.238 1.603 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.269 -0.422 13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.263 0.724 14.569 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.337 1.765 13.706 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.333 0.671 12.337 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.259 -0.873 14.753 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.389 1.214 12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.862 0.428 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.156 -1.879 15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.731 -1.317 14.919 1.00 0.00 H new ATOM 895 N ILE A 63 -3.313 -1.013 11.764 1.00 0.00 N ATOM 896 CA ILE A 63 -3.132 -2.095 10.806 1.00 0.00 C ATOM 897 C ILE A 63 -4.434 -2.857 10.584 1.00 0.00 C ATOM 898 O ILE A 63 -5.243 -3.003 11.500 1.00 0.00 O ATOM 899 CB ILE A 63 -2.045 -3.083 11.270 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.786 -2.325 11.697 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.723 -4.075 10.163 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.291 -3.218 12.271 1.00 0.00 C ATOM 0 H ILE A 63 -3.637 -1.313 12.683 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.818 -1.636 9.869 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.422 -3.638 12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.383 -1.791 10.836 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.058 -1.574 12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.953 -4.766 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.622 -4.633 9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.363 -3.537 9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.153 -2.613 12.552 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.094 -3.732 13.152 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.591 -3.953 11.524 1.00 0.00 H new ATOM 914 N ALA A 64 -4.629 -3.343 9.363 1.00 0.00 N ATOM 915 CA ALA A 64 -5.831 -4.094 9.022 1.00 0.00 C ATOM 916 C ALA A 64 -5.488 -5.521 8.609 1.00 0.00 C ATOM 917 O ALA A 64 -4.409 -5.781 8.077 1.00 0.00 O ATOM 918 CB ALA A 64 -6.596 -3.390 7.910 1.00 0.00 C ATOM 0 H ALA A 64 -3.970 -3.230 8.593 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.463 -4.142 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.491 -3.962 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.882 -2.392 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.963 -3.312 7.026 1.00 0.00 H new ATOM 924 N TRP A 65 -6.412 -6.442 8.858 1.00 0.00 N ATOM 925 CA TRP A 65 -6.206 -7.844 8.513 1.00 0.00 C ATOM 926 C TRP A 65 -7.274 -8.327 7.537 1.00 0.00 C ATOM 927 O TRP A 65 -7.116 -9.364 6.893 1.00 0.00 O ATOM 928 CB TRP A 65 -6.222 -8.709 9.774 1.00 0.00 C ATOM 929 CG TRP A 65 -5.053 -8.462 10.679 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.822 -7.348 11.434 1.00 0.00 C ATOM 931 CD2 TRP A 65 -3.954 -9.348 10.920 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.645 -7.488 12.130 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.095 -8.706 11.833 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.614 -10.621 10.456 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -1.918 -9.296 12.288 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.446 -11.205 10.908 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.610 -10.543 11.817 1.00 0.00 C ATOM 0 H TRP A 65 -7.311 -6.243 9.297 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.232 -7.934 8.032 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.144 -8.520 10.324 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.233 -9.760 9.485 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.469 -6.484 11.478 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.246 -6.796 12.765 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.253 -11.140 9.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.272 -8.787 12.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.173 -12.188 10.555 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.705 -11.027 12.152 1.00 0.00 H new ATOM 948 N ASP A 66 -8.360 -7.568 7.432 1.00 0.00 N ATOM 949 CA ASP A 66 -9.453 -7.919 6.533 1.00 0.00 C ATOM 950 C ASP A 66 -10.148 -6.666 6.009 1.00 0.00 C ATOM 951 O ASP A 66 -10.136 -5.620 6.658 1.00 0.00 O ATOM 952 CB ASP A 66 -10.463 -8.816 7.250 1.00 0.00 C ATOM 953 CG ASP A 66 -9.798 -9.805 8.186 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.173 -10.766 7.688 1.00 0.00 O ATOM 955 OD2 ASP A 66 -9.900 -9.620 9.416 1.00 0.00 O ATOM 0 H ASP A 66 -8.506 -6.706 7.958 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.035 -8.462 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.158 -8.195 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.051 -9.359 6.510 1.00 0.00 H new ATOM 960 N ASP A 67 -10.752 -6.780 4.832 1.00 0.00 N ATOM 961 CA ASP A 67 -11.453 -5.657 4.220 1.00 0.00 C ATOM 962 C ASP A 67 -12.146 -4.806 5.279 1.00 0.00 C ATOM 963 O ASP A 67 -12.072 -3.579 5.249 1.00 0.00 O ATOM 964 CB ASP A 67 -12.478 -6.161 3.202 1.00 0.00 C ATOM 965 CG ASP A 67 -13.600 -6.947 3.851 1.00 0.00 C ATOM 966 OD1 ASP A 67 -13.369 -8.119 4.216 1.00 0.00 O ATOM 967 OD2 ASP A 67 -14.708 -6.390 3.994 1.00 0.00 O ATOM 0 H ASP A 67 -10.771 -7.639 4.282 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.717 -5.038 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.898 -5.312 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.976 -6.790 2.466 1.00 0.00 H new ATOM 972 N GLU A 68 -12.820 -5.469 6.215 1.00 0.00 N ATOM 973 CA GLU A 68 -13.527 -4.772 7.283 1.00 0.00 C ATOM 974 C GLU A 68 -12.580 -3.864 8.062 1.00 0.00 C ATOM 975 O GLU A 68 -12.868 -2.687 8.275 1.00 0.00 O ATOM 976 CB GLU A 68 -14.182 -5.778 8.232 1.00 0.00 C ATOM 977 CG GLU A 68 -14.646 -7.051 7.544 1.00 0.00 C ATOM 978 CD GLU A 68 -15.665 -7.819 8.362 1.00 0.00 C ATOM 979 OE1 GLU A 68 -16.349 -7.193 9.198 1.00 0.00 O ATOM 980 OE2 GLU A 68 -15.779 -9.047 8.166 1.00 0.00 O ATOM 0 H GLU A 68 -12.891 -6.486 6.255 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.301 -4.154 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.473 -6.038 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.036 -5.305 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.079 -6.799 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.784 -7.690 7.352 1.00 0.00 H new ATOM 987 N GLU A 69 -11.449 -4.422 8.484 1.00 0.00 N ATOM 988 CA GLU A 69 -10.460 -3.663 9.241 1.00 0.00 C ATOM 989 C GLU A 69 -9.854 -2.554 8.385 1.00 0.00 C ATOM 990 O GLU A 69 -9.661 -1.430 8.849 1.00 0.00 O ATOM 991 CB GLU A 69 -9.355 -4.590 9.752 1.00 0.00 C ATOM 992 CG GLU A 69 -9.817 -5.545 10.840 1.00 0.00 C ATOM 993 CD GLU A 69 -8.703 -5.918 11.799 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.743 -5.131 11.929 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.793 -6.998 12.419 1.00 0.00 O ATOM 0 H GLU A 69 -11.195 -5.395 8.315 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.964 -3.206 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.962 -5.168 8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.533 -3.985 10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.634 -5.087 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.214 -6.450 10.380 1.00 0.00 H new ATOM 1002 N THR A 70 -9.555 -2.879 7.131 1.00 0.00 N ATOM 1003 CA THR A 70 -8.969 -1.914 6.210 1.00 0.00 C ATOM 1004 C THR A 70 -9.799 -0.637 6.151 1.00 0.00 C ATOM 1005 O THR A 70 -9.256 0.465 6.064 1.00 0.00 O ATOM 1006 CB THR A 70 -8.843 -2.497 4.790 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.145 -3.746 4.833 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.109 -1.531 3.872 1.00 0.00 C ATOM 0 H THR A 70 -9.709 -3.804 6.730 1.00 0.00 H new ATOM 0 HA THR A 70 -7.974 -1.680 6.588 1.00 0.00 H new ATOM 0 HB THR A 70 -9.847 -2.656 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.349 -4.262 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.032 -1.964 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.659 -0.591 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.109 -1.344 4.265 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.118 -0.791 6.199 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.024 0.351 6.151 1.00 0.00 C ATOM 1018 C ARG A 71 -12.035 1.092 7.484 1.00 0.00 C ATOM 1019 O ARG A 71 -11.780 2.296 7.539 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.440 -0.109 5.799 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.561 -0.691 4.400 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.931 -1.311 4.172 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.149 -1.655 2.769 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.351 -1.864 2.242 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -17.436 -1.766 2.998 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.468 -2.173 0.957 1.00 0.00 N ATOM 0 H ARG A 71 -11.584 -1.696 6.271 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.668 1.033 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.760 -0.857 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.121 0.737 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.388 0.093 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.789 -1.446 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.030 -2.207 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.703 -0.615 4.499 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.334 -1.739 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.349 -1.530 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.357 -1.927 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.635 -2.250 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.391 -2.333 0.553 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.332 0.367 8.557 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.376 0.956 9.890 1.00 0.00 C ATOM 1042 C ASP A 72 -11.096 1.732 10.184 1.00 0.00 C ATOM 1043 O ASP A 72 -11.134 2.808 10.780 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.580 -0.133 10.945 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.044 -0.458 11.165 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.719 -0.847 10.189 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.516 -0.324 12.314 1.00 0.00 O ATOM 0 H ASP A 72 -12.546 -0.630 8.529 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.216 1.649 9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.052 -1.036 10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.137 0.190 11.887 1.00 0.00 H new ATOM 1052 N GLY A 73 -9.964 1.178 9.761 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.688 1.832 9.989 1.00 0.00 C ATOM 1054 C GLY A 73 -8.438 2.969 9.018 1.00 0.00 C ATOM 1055 O GLY A 73 -7.801 3.964 9.367 1.00 0.00 O ATOM 0 H GLY A 73 -9.907 0.289 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.657 2.216 11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.886 1.099 9.900 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.938 2.822 7.796 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.763 3.844 6.770 1.00 0.00 C ATOM 1061 C PHE A 74 -9.545 5.106 7.121 1.00 0.00 C ATOM 1062 O PHE A 74 -9.045 6.221 6.968 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.214 3.312 5.408 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.317 4.376 4.354 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.404 5.235 4.321 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.327 4.518 3.394 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.501 6.216 3.352 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.419 5.497 2.423 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.508 6.346 2.401 1.00 0.00 C ATOM 0 H PHE A 74 -9.468 2.005 7.492 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.704 4.097 6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.512 2.548 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.184 2.827 5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.184 5.137 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.474 3.856 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.353 6.880 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.640 5.598 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.583 7.110 1.642 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.774 4.922 7.592 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.626 6.045 7.962 1.00 0.00 C ATOM 1081 C ARG A 75 -10.945 6.923 9.008 1.00 0.00 C ATOM 1082 O ARG A 75 -10.989 8.151 8.927 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.966 5.540 8.500 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.800 4.804 7.464 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.193 4.492 7.989 1.00 0.00 C ATOM 1086 NE ARG A 75 -16.176 4.403 6.914 1.00 0.00 N ATOM 1087 CZ ARG A 75 -17.457 4.112 7.112 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -17.907 3.884 8.338 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -18.292 4.049 6.082 1.00 0.00 N ATOM 0 H ARG A 75 -11.202 4.006 7.726 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.803 6.644 7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.782 4.876 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.538 6.387 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.878 5.409 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.299 3.877 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.171 3.551 8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.496 5.266 8.694 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.862 4.574 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.269 3.932 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.891 3.661 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.950 4.224 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.275 3.825 6.236 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.315 6.285 9.989 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.624 7.008 11.051 1.00 0.00 C ATOM 1105 C LEU A 76 -8.259 7.496 10.579 1.00 0.00 C ATOM 1106 O LEU A 76 -7.954 8.686 10.652 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.462 6.113 12.281 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.745 5.495 12.836 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.424 4.297 13.716 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.542 6.532 13.615 1.00 0.00 C ATOM 0 H LEU A 76 -10.269 5.269 10.071 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.226 7.876 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.773 5.306 12.030 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.993 6.698 13.072 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.352 5.152 11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.350 3.870 14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.895 3.546 13.129 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.796 4.615 14.549 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.452 6.075 14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.941 6.905 14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.804 7.360 12.956 1.00 0.00 H new ATOM 1122 N SER A 77 -7.440 6.568 10.092 1.00 0.00 N ATOM 1123 CA SER A 77 -6.106 6.904 9.609 1.00 0.00 C ATOM 1124 C SER A 77 -6.155 8.102 8.666 1.00 0.00 C ATOM 1125 O SER A 77 -5.330 9.011 8.756 1.00 0.00 O ATOM 1126 CB SER A 77 -5.483 5.703 8.894 1.00 0.00 C ATOM 1127 OG SER A 77 -5.213 4.651 9.805 1.00 0.00 O ATOM 0 H SER A 77 -7.677 5.578 10.022 1.00 0.00 H new ATOM 0 HA SER A 77 -5.490 7.166 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.158 5.349 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.560 6.008 8.401 1.00 0.00 H new ATOM 0 HG SER A 77 -6.019 4.107 9.925 1.00 0.00 H new ATOM 1133 N SER A 78 -7.129 8.095 7.761 1.00 0.00 N ATOM 1134 CA SER A 78 -7.285 9.179 6.798 1.00 0.00 C ATOM 1135 C SER A 78 -7.679 10.476 7.499 1.00 0.00 C ATOM 1136 O SER A 78 -7.133 11.540 7.209 1.00 0.00 O ATOM 1137 CB SER A 78 -8.338 8.812 5.751 1.00 0.00 C ATOM 1138 OG SER A 78 -8.119 9.514 4.540 1.00 0.00 O ATOM 0 H SER A 78 -7.821 7.351 7.675 1.00 0.00 H new ATOM 0 HA SER A 78 -6.327 9.331 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.310 7.739 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.332 9.043 6.134 1.00 0.00 H new ATOM 0 HG SER A 78 -7.160 9.679 4.426 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.631 10.377 8.421 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.099 11.542 9.162 1.00 0.00 C ATOM 1146 C GLN A 79 -7.961 12.177 9.955 1.00 0.00 C ATOM 1147 O GLN A 79 -7.904 13.396 10.107 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.236 11.148 10.107 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.570 10.950 9.404 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.517 10.064 10.189 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -12.093 9.292 11.050 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -13.808 10.170 9.895 1.00 0.00 N ATOM 0 H GLN A 79 -9.093 9.503 8.672 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.469 12.273 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.966 10.226 10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.347 11.919 10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.038 11.921 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.397 10.510 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.115 10.823 9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.492 9.598 10.390 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.058 11.341 10.457 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.922 11.821 11.234 1.00 0.00 C ATOM 1163 C GLU A 80 -5.012 12.701 10.382 1.00 0.00 C ATOM 1164 O GLU A 80 -4.725 13.844 10.738 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.127 10.642 11.799 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.732 10.047 13.059 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.645 10.984 14.247 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.555 11.082 14.849 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -6.668 11.621 14.576 1.00 0.00 O ATOM 0 H GLU A 80 -7.091 10.328 10.339 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.307 12.419 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.056 9.865 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.110 10.970 12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.777 9.798 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.220 9.115 13.298 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.562 12.160 9.255 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.686 12.895 8.351 1.00 0.00 C ATOM 1178 C ALA A 81 -4.328 14.206 7.911 1.00 0.00 C ATOM 1179 O ALA A 81 -3.635 15.187 7.642 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.342 12.041 7.139 1.00 0.00 C ATOM 0 H ALA A 81 -4.790 11.215 8.946 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.767 13.132 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.687 12.602 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.835 11.133 7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.257 11.775 6.610 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.655 14.216 7.840 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.389 15.408 7.434 1.00 0.00 C ATOM 1188 C ALA A 82 -6.254 16.516 8.472 1.00 0.00 C ATOM 1189 O ALA A 82 -6.549 17.679 8.195 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.855 15.072 7.205 1.00 0.00 C ATOM 0 H ALA A 82 -6.244 13.412 8.058 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.960 15.768 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.391 15.971 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.938 14.319 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.288 14.685 8.127 1.00 0.00 H new ATOM 1196 N SER A 83 -5.807 16.149 9.669 1.00 0.00 N ATOM 1197 CA SER A 83 -5.637 17.112 10.750 1.00 0.00 C ATOM 1198 C SER A 83 -4.161 17.285 11.097 1.00 0.00 C ATOM 1199 O SER A 83 -3.731 18.362 11.509 1.00 0.00 O ATOM 1200 CB SER A 83 -6.414 16.662 11.989 1.00 0.00 C ATOM 1201 OG SER A 83 -6.442 17.682 12.972 1.00 0.00 O ATOM 0 H SER A 83 -5.556 15.191 9.914 1.00 0.00 H new ATOM 0 HA SER A 83 -6.028 18.072 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.433 16.397 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.955 15.765 12.404 1.00 0.00 H new ATOM 0 HG SER A 83 -6.946 17.370 13.753 1.00 0.00 H new ATOM 1207 N SER A 84 -3.391 16.215 10.927 1.00 0.00 N ATOM 1208 CA SER A 84 -1.964 16.246 11.225 1.00 0.00 C ATOM 1209 C SER A 84 -1.222 17.144 10.240 1.00 0.00 C ATOM 1210 O SER A 84 -0.625 18.149 10.626 1.00 0.00 O ATOM 1211 CB SER A 84 -1.381 14.832 11.182 1.00 0.00 C ATOM 1212 OG SER A 84 -2.203 13.920 11.890 1.00 0.00 O ATOM 0 H SER A 84 -3.731 15.316 10.585 1.00 0.00 H new ATOM 0 HA SER A 84 -1.837 16.653 12.228 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.281 14.508 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.380 14.835 11.613 1.00 0.00 H new ATOM 0 HG SER A 84 -3.073 13.849 11.444 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.265 16.774 8.964 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.596 17.544 7.922 1.00 0.00 C ATOM 1220 C PHE A 85 -1.600 18.385 7.138 1.00 0.00 C ATOM 1221 O PHE A 85 -1.248 19.410 6.556 1.00 0.00 O ATOM 1222 CB PHE A 85 0.156 16.611 6.972 1.00 0.00 C ATOM 1223 CG PHE A 85 1.210 15.785 7.652 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.871 14.621 8.322 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.540 16.173 7.621 1.00 0.00 C ATOM 1226 CE1 PHE A 85 1.839 13.859 8.950 1.00 0.00 C ATOM 1227 CE2 PHE A 85 3.512 15.415 8.247 1.00 0.00 C ATOM 1228 CZ PHE A 85 3.161 14.256 8.911 1.00 0.00 C ATOM 0 H PHE A 85 -1.756 15.946 8.627 1.00 0.00 H new ATOM 0 HA PHE A 85 0.117 18.214 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.559 15.946 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.622 17.205 6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.161 14.305 8.354 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.820 17.078 7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.561 12.954 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.545 15.729 8.217 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.919 13.661 9.399 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.854 17.942 7.128 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.890 18.663 6.413 1.00 0.00 C ATOM 1240 C GLY A 86 -4.590 17.802 5.381 1.00 0.00 C ATOM 1241 O GLY A 86 -5.811 17.865 5.234 1.00 0.00 O ATOM 0 H GLY A 86 -3.170 17.096 7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.624 19.039 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.450 19.530 5.920 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.816 16.996 4.663 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.369 16.118 3.638 1.00 0.00 C ATOM 1247 C ASP A 87 -4.787 14.779 4.237 1.00 0.00 C ATOM 1248 O ASP A 87 -4.432 14.458 5.371 1.00 0.00 O ATOM 1249 CB ASP A 87 -3.347 15.895 2.522 1.00 0.00 C ATOM 1250 CG ASP A 87 -3.319 17.037 1.525 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.583 18.016 1.765 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -4.033 16.950 0.505 1.00 0.00 O ATOM 0 H ASP A 87 -2.804 16.932 4.772 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.253 16.600 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.356 15.774 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.580 14.967 2.000 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.543 14.003 3.468 1.00 0.00 N ATOM 1258 CA ASP A 88 -6.010 12.699 3.923 1.00 0.00 C ATOM 1259 C ASP A 88 -5.260 11.575 3.214 1.00 0.00 C ATOM 1260 O ASP A 88 -5.706 10.428 3.203 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.513 12.558 3.680 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.833 12.155 2.253 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.110 12.597 1.335 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.806 11.398 2.055 1.00 0.00 O ATOM 0 H ASP A 88 -5.845 14.254 2.527 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.814 12.624 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.921 11.814 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.005 13.504 3.907 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.119 11.914 2.622 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.308 10.935 1.909 1.00 0.00 C ATOM 1271 C ARG A 89 -2.890 9.797 2.835 1.00 0.00 C ATOM 1272 O ARG A 89 -2.233 10.019 3.853 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.068 11.604 1.314 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.386 12.797 0.427 1.00 0.00 C ATOM 1275 CD ARG A 89 -2.581 12.379 -1.021 1.00 0.00 C ATOM 1276 NE ARG A 89 -2.749 13.529 -1.906 1.00 0.00 N ATOM 1277 CZ ARG A 89 -3.831 14.300 -1.911 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -4.835 14.045 -1.083 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -3.910 15.328 -2.745 1.00 0.00 N ATOM 0 H ARG A 89 -3.736 12.859 2.622 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.911 10.520 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.416 11.929 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.512 10.868 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.288 13.290 0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.577 13.525 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.722 11.793 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.455 11.733 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.995 13.752 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.778 13.255 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.664 14.639 -1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.140 15.527 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.741 15.919 -2.748 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.275 8.577 2.476 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.941 7.403 3.275 1.00 0.00 C ATOM 1295 C LEU A 90 -1.923 6.526 2.554 1.00 0.00 C ATOM 1296 O LEU A 90 -1.526 6.816 1.425 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.203 6.594 3.580 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.099 7.142 4.691 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.072 6.075 5.167 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.258 7.656 5.851 1.00 0.00 C ATOM 0 H LEU A 90 -3.819 8.375 1.637 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.500 7.744 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.794 6.522 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.905 5.580 3.848 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.674 7.976 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.701 6.483 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.698 5.755 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.515 5.220 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.913 8.042 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.655 6.841 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.603 8.453 5.500 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.505 5.450 3.213 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.534 4.528 2.634 1.00 0.00 C ATOM 1314 C LEU A 91 -0.850 3.088 3.026 1.00 0.00 C ATOM 1315 O LEU A 91 -1.544 2.841 4.012 1.00 0.00 O ATOM 1316 CB LEU A 91 0.880 4.894 3.089 1.00 0.00 C ATOM 1317 CG LEU A 91 1.557 6.033 2.325 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.915 6.349 2.932 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.699 5.678 0.852 1.00 0.00 C ATOM 0 H LEU A 91 -1.823 5.195 4.148 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.593 4.611 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.842 5.163 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.507 4.006 3.009 1.00 0.00 H new ATOM 0 HG LEU A 91 0.930 6.921 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.382 7.162 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.788 6.648 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.550 5.464 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.183 6.500 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.304 4.777 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.712 5.502 0.423 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.334 2.142 2.248 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.559 0.727 2.516 1.00 0.00 C ATOM 1333 C ILE A 92 0.694 -0.093 2.226 1.00 0.00 C ATOM 1334 O ILE A 92 1.165 -0.143 1.091 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.726 0.174 1.678 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.996 0.990 1.930 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -1.960 -1.294 2.000 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.248 0.343 1.381 1.00 0.00 C ATOM 0 H ILE A 92 0.242 2.330 1.428 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.810 0.642 3.573 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.467 0.257 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.115 1.140 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.880 1.976 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.788 -1.671 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.059 -1.864 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.201 -1.401 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.109 0.976 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.150 0.218 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.389 -0.632 1.848 1.00 0.00 H new ATOM 1350 N GLU A 93 1.227 -0.735 3.261 1.00 0.00 N ATOM 1351 CA GLU A 93 2.425 -1.554 3.116 1.00 0.00 C ATOM 1352 C GLU A 93 2.180 -2.970 3.628 1.00 0.00 C ATOM 1353 O GLU A 93 1.273 -3.207 4.427 1.00 0.00 O ATOM 1354 CB GLU A 93 3.596 -0.922 3.871 1.00 0.00 C ATOM 1355 CG GLU A 93 4.113 0.357 3.233 1.00 0.00 C ATOM 1356 CD GLU A 93 4.978 0.093 2.017 1.00 0.00 C ATOM 1357 OE1 GLU A 93 4.788 -0.960 1.371 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.846 0.937 1.710 1.00 0.00 O ATOM 0 H GLU A 93 0.849 -0.704 4.208 1.00 0.00 H new ATOM 0 HA GLU A 93 2.672 -1.607 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.285 -0.708 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.411 -1.644 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.268 0.982 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.689 0.919 3.969 1.00 0.00 H new ATOM 1365 N LYS A 94 2.996 -3.910 3.163 1.00 0.00 N ATOM 1366 CA LYS A 94 2.871 -5.304 3.572 1.00 0.00 C ATOM 1367 C LYS A 94 3.384 -5.501 4.995 1.00 0.00 C ATOM 1368 O LYS A 94 4.498 -5.095 5.326 1.00 0.00 O ATOM 1369 CB LYS A 94 3.642 -6.211 2.611 1.00 0.00 C ATOM 1370 CG LYS A 94 3.775 -7.643 3.100 1.00 0.00 C ATOM 1371 CD LYS A 94 2.482 -8.418 2.912 1.00 0.00 C ATOM 1372 CE LYS A 94 2.745 -9.904 2.721 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.368 -10.191 1.399 1.00 0.00 N ATOM 0 H LYS A 94 3.752 -3.731 2.502 1.00 0.00 H new ATOM 0 HA LYS A 94 1.815 -5.571 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.140 -6.212 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.637 -5.796 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.580 -8.140 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.051 -7.644 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.839 -8.270 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.946 -8.028 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.399 -10.262 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.807 -10.453 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.211 -11.189 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.939 -9.582 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.390 -10.003 1.449 1.00 0.00 H new ATOM 1387 N PHE A 95 2.565 -6.127 5.833 1.00 0.00 N ATOM 1388 CA PHE A 95 2.936 -6.379 7.221 1.00 0.00 C ATOM 1389 C PHE A 95 3.292 -7.847 7.431 1.00 0.00 C ATOM 1390 O PHE A 95 2.467 -8.734 7.210 1.00 0.00 O ATOM 1391 CB PHE A 95 1.793 -5.980 8.157 1.00 0.00 C ATOM 1392 CG PHE A 95 2.112 -6.181 9.611 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.283 -7.455 10.127 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.241 -5.095 10.462 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.575 -7.643 11.465 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.534 -5.277 11.801 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.702 -6.552 12.302 1.00 0.00 C ATOM 0 H PHE A 95 1.639 -6.469 5.575 1.00 0.00 H new ATOM 0 HA PHE A 95 3.813 -5.775 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.545 -4.932 7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.907 -6.562 7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.187 -8.312 9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.111 -4.095 10.075 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.704 -8.642 11.855 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.631 -4.422 12.454 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.932 -6.696 13.347 1.00 0.00 H new ATOM 1407 N ILE A 96 4.525 -8.096 7.859 1.00 0.00 N ATOM 1408 CA ILE A 96 4.990 -9.456 8.100 1.00 0.00 C ATOM 1409 C ILE A 96 5.610 -9.588 9.487 1.00 0.00 C ATOM 1410 O ILE A 96 6.708 -9.090 9.737 1.00 0.00 O ATOM 1411 CB ILE A 96 6.023 -9.893 7.045 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.524 -9.551 5.639 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.305 -11.383 7.165 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.494 -9.936 4.544 1.00 0.00 C ATOM 0 H ILE A 96 5.220 -7.373 8.046 1.00 0.00 H new ATOM 0 HA ILE A 96 4.116 -10.104 8.032 1.00 0.00 H new ATOM 0 HB ILE A 96 6.953 -9.352 7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.574 -10.057 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.330 -8.480 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.037 -11.677 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.698 -11.600 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.382 -11.942 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.075 -9.664 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.437 -9.410 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.669 -11.011 4.575 1.00 0.00 H new