USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0.274 (180deg=0.0955) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0195 K(o=-0.02,f=-1) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.0131 (180deg=-0.914) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 64:sc= 1.2 USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0.476 (180deg=0.457) USER MOD Single : A 56 GLN : amide:sc= -4.24! K(o=-4.2!,f=-0.081) USER MOD Single : A 58 ASN : amide:sc= 0.146 K(o=0.15,f=-2!) USER MOD Single : A 61 GLN : amide:sc= 0.28 K(o=0.28,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 6.638 -6.974 12.136 1.00 4.13 N ATOM 330 CA LEU A 21 7.438 -6.078 11.267 1.00 70.14 C ATOM 331 C LEU A 21 8.341 -6.906 10.328 1.00 31.24 C ATOM 332 O LEU A 21 9.463 -7.290 10.687 1.00 64.35 O ATOM 333 CB LEU A 21 8.273 -5.085 12.125 1.00 72.44 C ATOM 334 CG LEU A 21 7.457 -4.107 13.032 1.00 50.10 C ATOM 335 CD1 LEU A 21 8.396 -3.227 13.894 1.00 45.03 C ATOM 336 CD2 LEU A 21 6.494 -3.232 12.186 1.00 71.32 C ATOM 0 HA LEU A 21 6.758 -5.491 10.649 1.00 70.14 H new ATOM 0 HB2 LEU A 21 8.946 -5.662 12.760 1.00 72.44 H new ATOM 0 HB3 LEU A 21 8.896 -4.493 11.455 1.00 72.44 H new ATOM 0 HG LEU A 21 6.852 -4.710 13.709 1.00 50.10 H new ATOM 0 HD11 LEU A 21 7.800 -2.557 14.514 1.00 45.03 H new ATOM 0 HD12 LEU A 21 9.007 -3.865 14.533 1.00 45.03 H new ATOM 0 HD13 LEU A 21 9.043 -2.639 13.243 1.00 45.03 H new ATOM 0 HD21 LEU A 21 5.940 -2.562 12.843 1.00 71.32 H new ATOM 0 HD22 LEU A 21 7.070 -2.645 11.471 1.00 71.32 H new ATOM 0 HD23 LEU A 21 5.795 -3.874 11.650 1.00 71.32 H new ATOM 348 N THR A 22 7.801 -7.234 9.143 1.00 1.33 N ATOM 349 CA THR A 22 8.547 -7.929 8.067 1.00 64.03 C ATOM 350 C THR A 22 9.377 -6.921 7.240 1.00 43.10 C ATOM 351 O THR A 22 9.306 -5.712 7.480 1.00 74.52 O ATOM 352 CB THR A 22 7.580 -8.697 7.100 1.00 42.25 C ATOM 353 OG1 THR A 22 6.849 -7.760 6.289 1.00 52.14 O ATOM 354 CG2 THR A 22 6.587 -9.593 7.869 1.00 45.44 C ATOM 0 H THR A 22 6.833 -7.027 8.898 1.00 1.33 H new ATOM 0 HA THR A 22 9.209 -8.647 8.551 1.00 64.03 H new ATOM 0 HB THR A 22 8.193 -9.339 6.468 1.00 42.25 H new ATOM 0 HG1 THR A 22 6.249 -8.247 5.687 1.00 52.14 H new ATOM 0 HG21 THR A 22 5.936 -10.106 7.161 1.00 45.44 H new ATOM 0 HG22 THR A 22 7.139 -10.329 8.454 1.00 45.44 H new ATOM 0 HG23 THR A 22 5.983 -8.978 8.536 1.00 45.44 H new ATOM 362 N ARG A 23 10.140 -7.429 6.252 1.00 13.20 N ATOM 363 CA ARG A 23 10.972 -6.593 5.348 1.00 72.12 C ATOM 364 C ARG A 23 10.137 -5.487 4.639 1.00 50.03 C ATOM 365 O ARG A 23 10.570 -4.332 4.533 1.00 60.43 O ATOM 366 CB ARG A 23 11.678 -7.505 4.297 1.00 22.34 C ATOM 367 CG ARG A 23 12.656 -6.768 3.346 1.00 2.11 C ATOM 368 CD ARG A 23 13.888 -6.186 4.066 1.00 34.33 C ATOM 369 NE ARG A 23 14.660 -5.279 3.190 1.00 61.22 N ATOM 370 CZ ARG A 23 15.972 -5.255 3.078 1.00 0.04 C ATOM 371 NH1 ARG A 23 16.718 -6.118 3.692 1.00 54.24 N ATOM 372 NH2 ARG A 23 16.535 -4.363 2.335 1.00 23.24 N ATOM 0 H ARG A 23 10.201 -8.428 6.054 1.00 13.20 H new ATOM 0 HA ARG A 23 11.722 -6.085 5.954 1.00 72.12 H new ATOM 0 HB2 ARG A 23 12.226 -8.286 4.825 1.00 22.34 H new ATOM 0 HB3 ARG A 23 10.915 -8.001 3.697 1.00 22.34 H new ATOM 0 HG2 ARG A 23 12.990 -7.460 2.573 1.00 2.11 H new ATOM 0 HG3 ARG A 23 12.123 -5.961 2.843 1.00 2.11 H new ATOM 0 HD2 ARG A 23 13.567 -5.645 4.956 1.00 34.33 H new ATOM 0 HD3 ARG A 23 14.530 -7.000 4.402 1.00 34.33 H new ATOM 0 HE ARG A 23 14.131 -4.615 2.624 1.00 61.22 H new ATOM 0 HH11 ARG A 23 16.291 -6.836 4.277 1.00 54.24 H new ATOM 0 HH12 ARG A 23 17.732 -6.079 3.590 1.00 54.24 H new ATOM 0 HH21 ARG A 23 15.964 -3.680 1.837 1.00 23.24 H new ATOM 0 HH22 ARG A 23 17.551 -4.341 2.246 1.00 23.24 H new ATOM 386 N ASP A 24 8.934 -5.858 4.176 1.00 44.22 N ATOM 387 CA ASP A 24 8.010 -4.927 3.499 1.00 63.42 C ATOM 388 C ASP A 24 7.295 -3.979 4.496 1.00 62.30 C ATOM 389 O ASP A 24 7.041 -2.823 4.166 1.00 15.20 O ATOM 390 CB ASP A 24 6.986 -5.714 2.646 1.00 2.51 C ATOM 391 CG ASP A 24 7.662 -6.530 1.529 1.00 23.33 C ATOM 392 OD1 ASP A 24 8.251 -7.589 1.827 1.00 60.15 O ATOM 393 OD2 ASP A 24 7.636 -6.111 0.353 1.00 34.25 O ATOM 0 H ASP A 24 8.572 -6.808 4.258 1.00 44.22 H new ATOM 0 HA ASP A 24 8.605 -4.295 2.840 1.00 63.42 H new ATOM 0 HB2 ASP A 24 6.419 -6.385 3.291 1.00 2.51 H new ATOM 0 HB3 ASP A 24 6.273 -5.018 2.204 1.00 2.51 H new ATOM 398 N GLU A 25 6.979 -4.456 5.719 1.00 44.42 N ATOM 399 CA GLU A 25 6.369 -3.590 6.772 1.00 22.32 C ATOM 400 C GLU A 25 7.309 -2.402 7.135 1.00 71.41 C ATOM 401 O GLU A 25 6.855 -1.320 7.527 1.00 53.50 O ATOM 402 CB GLU A 25 6.015 -4.419 8.037 1.00 63.13 C ATOM 403 CG GLU A 25 5.024 -5.593 7.813 1.00 30.21 C ATOM 404 CD GLU A 25 3.621 -5.196 7.308 1.00 63.45 C ATOM 405 OE1 GLU A 25 3.176 -4.056 7.560 1.00 51.30 O ATOM 406 OE2 GLU A 25 2.941 -6.045 6.687 1.00 62.53 O ATOM 0 H GLU A 25 7.131 -5.423 6.007 1.00 44.42 H new ATOM 0 HA GLU A 25 5.445 -3.176 6.368 1.00 22.32 H new ATOM 0 HB2 GLU A 25 6.937 -4.821 8.456 1.00 63.13 H new ATOM 0 HB3 GLU A 25 5.592 -3.747 8.783 1.00 63.13 H new ATOM 0 HG2 GLU A 25 5.466 -6.286 7.096 1.00 30.21 H new ATOM 0 HG3 GLU A 25 4.912 -6.134 8.752 1.00 30.21 H new ATOM 413 N LEU A 26 8.626 -2.629 6.966 1.00 31.23 N ATOM 414 CA LEU A 26 9.656 -1.579 7.102 1.00 3.05 C ATOM 415 C LEU A 26 9.546 -0.517 5.971 1.00 43.42 C ATOM 416 O LEU A 26 9.634 0.691 6.240 1.00 33.15 O ATOM 417 CB LEU A 26 11.072 -2.212 7.092 1.00 61.24 C ATOM 418 CG LEU A 26 11.345 -3.306 8.174 1.00 10.24 C ATOM 419 CD1 LEU A 26 12.759 -3.915 8.018 1.00 50.14 C ATOM 420 CD2 LEU A 26 11.113 -2.764 9.606 1.00 54.11 C ATOM 0 H LEU A 26 9.007 -3.546 6.731 1.00 31.23 H new ATOM 0 HA LEU A 26 9.489 -1.076 8.054 1.00 3.05 H new ATOM 0 HB2 LEU A 26 11.244 -2.651 6.109 1.00 61.24 H new ATOM 0 HB3 LEU A 26 11.805 -1.415 7.218 1.00 61.24 H new ATOM 0 HG LEU A 26 10.625 -4.108 8.013 1.00 10.24 H new ATOM 0 HD11 LEU A 26 12.916 -4.672 8.786 1.00 50.14 H new ATOM 0 HD12 LEU A 26 12.851 -4.373 7.033 1.00 50.14 H new ATOM 0 HD13 LEU A 26 13.507 -3.130 8.125 1.00 50.14 H new ATOM 0 HD21 LEU A 26 11.313 -3.553 10.331 1.00 54.11 H new ATOM 0 HD22 LEU A 26 11.783 -1.924 9.790 1.00 54.11 H new ATOM 0 HD23 LEU A 26 10.080 -2.432 9.706 1.00 54.11 H new ATOM 432 N ARG A 27 9.344 -0.977 4.703 1.00 74.24 N ATOM 433 CA ARG A 27 9.262 -0.061 3.527 1.00 30.21 C ATOM 434 C ARG A 27 7.993 0.831 3.610 1.00 42.14 C ATOM 435 O ARG A 27 8.034 2.003 3.228 1.00 63.12 O ATOM 436 CB ARG A 27 9.339 -0.829 2.152 1.00 14.20 C ATOM 437 CG ARG A 27 8.013 -1.426 1.609 1.00 40.45 C ATOM 438 CD ARG A 27 8.149 -2.090 0.219 1.00 41.45 C ATOM 439 NE ARG A 27 8.851 -3.386 0.265 1.00 43.42 N ATOM 440 CZ ARG A 27 9.985 -3.688 -0.332 1.00 43.05 C ATOM 441 NH1 ARG A 27 10.695 -2.796 -0.953 1.00 75.13 N ATOM 442 NH2 ARG A 27 10.405 -4.909 -0.288 1.00 32.30 N ATOM 0 H ARG A 27 9.236 -1.964 4.471 1.00 74.24 H new ATOM 0 HA ARG A 27 10.138 0.586 3.565 1.00 30.21 H new ATOM 0 HB2 ARG A 27 9.736 -0.144 1.402 1.00 14.20 H new ATOM 0 HB3 ARG A 27 10.060 -1.640 2.256 1.00 14.20 H new ATOM 0 HG2 ARG A 27 7.641 -2.165 2.319 1.00 40.45 H new ATOM 0 HG3 ARG A 27 7.266 -0.634 1.551 1.00 40.45 H new ATOM 0 HD2 ARG A 27 7.156 -2.236 -0.206 1.00 41.45 H new ATOM 0 HD3 ARG A 27 8.686 -1.416 -0.448 1.00 41.45 H new ATOM 0 HE ARG A 27 8.413 -4.124 0.816 1.00 43.42 H new ATOM 0 HH11 ARG A 27 10.379 -1.827 -0.989 1.00 75.13 H new ATOM 0 HH12 ARG A 27 11.569 -3.064 -1.405 1.00 75.13 H new ATOM 0 HH21 ARG A 27 9.861 -5.618 0.203 1.00 32.30 H new ATOM 0 HH22 ARG A 27 11.281 -5.164 -0.744 1.00 32.30 H new ATOM 456 N ALA A 28 6.889 0.266 4.153 1.00 13.51 N ATOM 457 CA ALA A 28 5.617 1.001 4.363 1.00 13.20 C ATOM 458 C ALA A 28 5.790 2.169 5.365 1.00 12.44 C ATOM 459 O ALA A 28 5.298 3.282 5.133 1.00 42.24 O ATOM 460 CB ALA A 28 4.522 0.032 4.838 1.00 70.14 C ATOM 0 H ALA A 28 6.854 -0.707 4.457 1.00 13.51 H new ATOM 0 HA ALA A 28 5.317 1.436 3.410 1.00 13.20 H new ATOM 0 HB1 ALA A 28 3.592 0.580 4.990 1.00 70.14 H new ATOM 0 HB2 ALA A 28 4.369 -0.741 4.085 1.00 70.14 H new ATOM 0 HB3 ALA A 28 4.828 -0.431 5.776 1.00 70.14 H new ATOM 466 N LYS A 29 6.518 1.891 6.465 1.00 62.14 N ATOM 467 CA LYS A 29 6.844 2.891 7.511 1.00 32.14 C ATOM 468 C LYS A 29 7.693 4.066 6.945 1.00 61.11 C ATOM 469 O LYS A 29 7.508 5.224 7.346 1.00 44.32 O ATOM 470 CB LYS A 29 7.610 2.201 8.670 1.00 54.11 C ATOM 471 CG LYS A 29 7.953 3.128 9.866 1.00 23.23 C ATOM 472 CD LYS A 29 8.902 2.458 10.883 1.00 12.10 C ATOM 473 CE LYS A 29 9.248 3.373 12.070 1.00 25.31 C ATOM 474 NZ LYS A 29 10.229 2.744 12.992 1.00 10.34 N ATOM 0 H LYS A 29 6.899 0.965 6.657 1.00 62.14 H new ATOM 0 HA LYS A 29 5.906 3.307 7.879 1.00 32.14 H new ATOM 0 HB2 LYS A 29 7.012 1.366 9.035 1.00 54.11 H new ATOM 0 HB3 LYS A 29 8.536 1.782 8.276 1.00 54.11 H new ATOM 0 HG2 LYS A 29 8.414 4.042 9.492 1.00 23.23 H new ATOM 0 HG3 LYS A 29 7.032 3.419 10.371 1.00 23.23 H new ATOM 0 HD2 LYS A 29 8.439 1.545 11.257 1.00 12.10 H new ATOM 0 HD3 LYS A 29 9.821 2.165 10.376 1.00 12.10 H new ATOM 0 HE2 LYS A 29 9.653 4.313 11.696 1.00 25.31 H new ATOM 0 HE3 LYS A 29 8.338 3.614 12.619 1.00 25.31 H new ATOM 0 HZ1 LYS A 29 10.434 3.394 13.777 1.00 10.34 H new ATOM 0 HZ2 LYS A 29 9.833 1.859 13.369 1.00 10.34 H new ATOM 0 HZ3 LYS A 29 11.108 2.537 12.476 1.00 10.34 H new ATOM 488 N ALA A 30 8.596 3.740 5.996 1.00 4.12 N ATOM 489 CA ALA A 30 9.556 4.703 5.396 1.00 44.35 C ATOM 490 C ALA A 30 8.863 5.919 4.720 1.00 64.44 C ATOM 491 O ALA A 30 9.352 7.049 4.809 1.00 2.11 O ATOM 492 CB ALA A 30 10.465 3.970 4.393 1.00 21.25 C ATOM 0 H ALA A 30 8.683 2.796 5.619 1.00 4.12 H new ATOM 0 HA ALA A 30 10.154 5.111 6.211 1.00 44.35 H new ATOM 0 HB1 ALA A 30 11.168 4.678 3.954 1.00 21.25 H new ATOM 0 HB2 ALA A 30 11.016 3.184 4.909 1.00 21.25 H new ATOM 0 HB3 ALA A 30 9.855 3.528 3.605 1.00 21.25 H new ATOM 498 N LEU A 31 7.724 5.672 4.041 1.00 13.23 N ATOM 499 CA LEU A 31 6.925 6.738 3.360 1.00 23.44 C ATOM 500 C LEU A 31 5.582 7.029 4.094 1.00 3.02 C ATOM 501 O LEU A 31 4.739 7.783 3.576 1.00 74.30 O ATOM 502 CB LEU A 31 6.688 6.334 1.876 1.00 51.23 C ATOM 503 CG LEU A 31 7.958 6.389 0.961 1.00 35.34 C ATOM 504 CD1 LEU A 31 7.711 5.719 -0.403 1.00 22.14 C ATOM 505 CD2 LEU A 31 8.431 7.845 0.756 1.00 50.52 C ATOM 0 H LEU A 31 7.326 4.738 3.943 1.00 13.23 H new ATOM 0 HA LEU A 31 7.493 7.667 3.392 1.00 23.44 H new ATOM 0 HB2 LEU A 31 6.285 5.321 1.851 1.00 51.23 H new ATOM 0 HB3 LEU A 31 5.927 6.990 1.454 1.00 51.23 H new ATOM 0 HG LEU A 31 8.742 5.832 1.473 1.00 35.34 H new ATOM 0 HD11 LEU A 31 8.616 5.779 -1.007 1.00 22.14 H new ATOM 0 HD12 LEU A 31 7.444 4.673 -0.252 1.00 22.14 H new ATOM 0 HD13 LEU A 31 6.897 6.230 -0.917 1.00 22.14 H new ATOM 0 HD21 LEU A 31 9.314 7.854 0.117 1.00 50.52 H new ATOM 0 HD22 LEU A 31 7.636 8.423 0.285 1.00 50.52 H new ATOM 0 HD23 LEU A 31 8.677 8.287 1.721 1.00 50.52 H new ATOM 517 N HIS A 32 5.424 6.445 5.306 1.00 10.15 N ATOM 518 CA HIS A 32 4.253 6.660 6.197 1.00 34.54 C ATOM 519 C HIS A 32 2.905 6.290 5.508 1.00 24.43 C ATOM 520 O HIS A 32 2.023 7.135 5.320 1.00 64.00 O ATOM 521 CB HIS A 32 4.258 8.111 6.790 1.00 1.10 C ATOM 522 CG HIS A 32 3.160 8.411 7.799 1.00 43.23 C ATOM 523 ND1 HIS A 32 3.070 7.788 9.024 1.00 45.43 N ATOM 524 CD2 HIS A 32 2.094 9.260 7.749 1.00 72.33 C ATOM 525 CE1 HIS A 32 2.017 8.233 9.673 1.00 60.25 C ATOM 526 NE2 HIS A 32 1.407 9.125 8.925 1.00 12.45 N ATOM 0 H HIS A 32 6.113 5.804 5.699 1.00 10.15 H new ATOM 0 HA HIS A 32 4.347 5.971 7.037 1.00 34.54 H new ATOM 0 HB2 HIS A 32 5.223 8.287 7.266 1.00 1.10 H new ATOM 0 HB3 HIS A 32 4.175 8.821 5.967 1.00 1.10 H new ATOM 0 HD2 HIS A 32 1.839 9.918 6.932 1.00 72.33 H new ATOM 0 HE1 HIS A 32 1.705 7.918 10.658 1.00 60.25 H new ATOM 0 HE2 HIS A 32 0.560 9.633 9.179 1.00 12.45 H new ATOM 535 N ILE A 33 2.793 5.022 5.082 1.00 21.41 N ATOM 536 CA ILE A 33 1.515 4.451 4.596 1.00 42.35 C ATOM 537 C ILE A 33 0.536 4.293 5.795 1.00 12.12 C ATOM 538 O ILE A 33 0.914 3.711 6.817 1.00 22.51 O ATOM 539 CB ILE A 33 1.735 3.048 3.897 1.00 14.43 C ATOM 540 CG1 ILE A 33 2.761 3.159 2.729 1.00 75.44 C ATOM 541 CG2 ILE A 33 0.404 2.427 3.392 1.00 62.54 C ATOM 542 CD1 ILE A 33 2.324 4.034 1.563 1.00 62.03 C ATOM 0 H ILE A 33 3.573 4.365 5.062 1.00 21.41 H new ATOM 0 HA ILE A 33 1.095 5.131 3.855 1.00 42.35 H new ATOM 0 HB ILE A 33 2.140 2.379 4.656 1.00 14.43 H new ATOM 0 HG12 ILE A 33 3.698 3.551 3.126 1.00 75.44 H new ATOM 0 HG13 ILE A 33 2.969 2.157 2.353 1.00 75.44 H new ATOM 0 HG21 ILE A 33 0.607 1.466 2.920 1.00 62.54 H new ATOM 0 HG22 ILE A 33 -0.273 2.282 4.234 1.00 62.54 H new ATOM 0 HG23 ILE A 33 -0.058 3.097 2.667 1.00 62.54 H new ATOM 0 HD11 ILE A 33 3.106 4.046 0.804 1.00 62.03 H new ATOM 0 HD12 ILE A 33 1.406 3.634 1.132 1.00 62.03 H new ATOM 0 HD13 ILE A 33 2.146 5.050 1.917 1.00 62.03 H new ATOM 554 N PRO A 34 -0.734 4.820 5.704 1.00 23.10 N ATOM 555 CA PRO A 34 -1.732 4.724 6.819 1.00 73.44 C ATOM 556 C PRO A 34 -2.243 3.276 7.093 1.00 60.00 C ATOM 557 O PRO A 34 -3.055 3.062 7.997 1.00 0.34 O ATOM 558 CB PRO A 34 -2.877 5.659 6.333 1.00 62.10 C ATOM 559 CG PRO A 34 -2.773 5.628 4.839 1.00 1.13 C ATOM 560 CD PRO A 34 -1.293 5.568 4.537 1.00 0.41 C ATOM 0 HA PRO A 34 -1.299 5.011 7.777 1.00 73.44 H new ATOM 0 HB2 PRO A 34 -3.851 5.304 6.671 1.00 62.10 H new ATOM 0 HB3 PRO A 34 -2.755 6.671 6.719 1.00 62.10 H new ATOM 0 HG2 PRO A 34 -3.293 4.763 4.428 1.00 1.13 H new ATOM 0 HG3 PRO A 34 -3.228 6.514 4.396 1.00 1.13 H new ATOM 0 HD2 PRO A 34 -1.095 5.053 3.597 1.00 0.41 H new ATOM 0 HD3 PRO A 34 -0.859 6.564 4.452 1.00 0.41 H new ATOM 568 N PHE A 35 -1.761 2.295 6.296 1.00 32.13 N ATOM 569 CA PHE A 35 -2.110 0.858 6.433 1.00 24.43 C ATOM 570 C PHE A 35 -0.814 -0.008 6.502 1.00 32.40 C ATOM 571 O PHE A 35 0.238 0.422 6.015 1.00 21.12 O ATOM 572 CB PHE A 35 -2.957 0.394 5.209 1.00 20.24 C ATOM 573 CG PHE A 35 -4.099 1.331 4.806 1.00 52.23 C ATOM 574 CD1 PHE A 35 -5.135 1.623 5.691 1.00 11.44 C ATOM 575 CD2 PHE A 35 -4.136 1.912 3.538 1.00 70.05 C ATOM 576 CE1 PHE A 35 -6.160 2.474 5.328 1.00 2.42 C ATOM 577 CE2 PHE A 35 -5.161 2.762 3.178 1.00 41.31 C ATOM 578 CZ PHE A 35 -6.177 3.036 4.068 1.00 53.12 C ATOM 0 H PHE A 35 -1.112 2.479 5.531 1.00 32.13 H new ATOM 0 HA PHE A 35 -2.685 0.731 7.350 1.00 24.43 H new ATOM 0 HB2 PHE A 35 -2.292 0.271 4.354 1.00 20.24 H new ATOM 0 HB3 PHE A 35 -3.376 -0.588 5.430 1.00 20.24 H new ATOM 0 HD1 PHE A 35 -5.136 1.177 6.675 1.00 11.44 H new ATOM 0 HD2 PHE A 35 -3.351 1.693 2.829 1.00 70.05 H new ATOM 0 HE1 PHE A 35 -6.949 2.700 6.031 1.00 2.42 H new ATOM 0 HE2 PHE A 35 -5.167 3.214 2.197 1.00 41.31 H new ATOM 0 HZ PHE A 35 -6.986 3.690 3.779 1.00 53.12 H new ATOM 588 N PRO A 36 -0.857 -1.239 7.112 1.00 63.21 N ATOM 589 CA PRO A 36 0.235 -2.244 6.951 1.00 42.00 C ATOM 590 C PRO A 36 0.221 -2.918 5.544 1.00 64.11 C ATOM 591 O PRO A 36 -0.818 -2.944 4.871 1.00 22.13 O ATOM 592 CB PRO A 36 -0.065 -3.268 8.078 1.00 35.25 C ATOM 593 CG PRO A 36 -1.547 -3.183 8.279 1.00 63.21 C ATOM 594 CD PRO A 36 -1.910 -1.727 8.051 1.00 1.13 C ATOM 0 HA PRO A 36 1.227 -1.799 7.023 1.00 42.00 H new ATOM 0 HB2 PRO A 36 0.239 -4.274 7.791 1.00 35.25 H new ATOM 0 HB3 PRO A 36 0.474 -3.021 8.992 1.00 35.25 H new ATOM 0 HG2 PRO A 36 -2.075 -3.832 7.580 1.00 63.21 H new ATOM 0 HG3 PRO A 36 -1.825 -3.503 9.283 1.00 63.21 H new ATOM 0 HD2 PRO A 36 -2.907 -1.626 7.621 1.00 1.13 H new ATOM 0 HD3 PRO A 36 -1.906 -1.163 8.984 1.00 1.13 H new ATOM 602 N VAL A 37 1.378 -3.474 5.129 1.00 63.42 N ATOM 603 CA VAL A 37 1.547 -4.173 3.817 1.00 15.31 C ATOM 604 C VAL A 37 0.576 -5.360 3.666 1.00 14.55 C ATOM 605 O VAL A 37 -0.007 -5.566 2.592 1.00 52.41 O ATOM 606 CB VAL A 37 3.037 -4.664 3.643 1.00 60.11 C ATOM 607 CG1 VAL A 37 3.238 -5.646 2.451 1.00 23.20 C ATOM 608 CG2 VAL A 37 3.968 -3.449 3.523 1.00 60.23 C ATOM 0 H VAL A 37 2.230 -3.456 5.689 1.00 63.42 H new ATOM 0 HA VAL A 37 1.312 -3.453 3.033 1.00 15.31 H new ATOM 0 HB VAL A 37 3.291 -5.238 4.534 1.00 60.11 H new ATOM 0 HG11 VAL A 37 4.286 -5.940 2.394 1.00 23.20 H new ATOM 0 HG12 VAL A 37 2.620 -6.532 2.601 1.00 23.20 H new ATOM 0 HG13 VAL A 37 2.948 -5.155 1.522 1.00 23.20 H new ATOM 0 HG21 VAL A 37 4.997 -3.789 3.403 1.00 60.23 H new ATOM 0 HG22 VAL A 37 3.679 -2.854 2.657 1.00 60.23 H new ATOM 0 HG23 VAL A 37 3.890 -2.840 4.424 1.00 60.23 H new ATOM 618 N GLU A 38 0.402 -6.111 4.768 1.00 74.22 N ATOM 619 CA GLU A 38 -0.583 -7.211 4.870 1.00 41.11 C ATOM 620 C GLU A 38 -2.010 -6.759 4.431 1.00 32.02 C ATOM 621 O GLU A 38 -2.748 -7.523 3.800 1.00 70.52 O ATOM 622 CB GLU A 38 -0.621 -7.732 6.337 1.00 33.22 C ATOM 623 CG GLU A 38 -1.500 -8.984 6.574 1.00 12.31 C ATOM 624 CD GLU A 38 -0.950 -10.256 5.890 1.00 61.40 C ATOM 625 OE1 GLU A 38 -0.146 -10.980 6.517 1.00 10.13 O ATOM 626 OE2 GLU A 38 -1.307 -10.533 4.719 1.00 5.35 O ATOM 0 H GLU A 38 0.944 -5.973 5.621 1.00 74.22 H new ATOM 0 HA GLU A 38 -0.271 -8.008 4.195 1.00 41.11 H new ATOM 0 HB2 GLU A 38 0.398 -7.960 6.650 1.00 33.22 H new ATOM 0 HB3 GLU A 38 -0.981 -6.929 6.981 1.00 33.22 H new ATOM 0 HG2 GLU A 38 -1.583 -9.163 7.646 1.00 12.31 H new ATOM 0 HG3 GLU A 38 -2.507 -8.788 6.205 1.00 12.31 H new ATOM 633 N LYS A 39 -2.361 -5.494 4.752 1.00 2.44 N ATOM 634 CA LYS A 39 -3.698 -4.923 4.465 1.00 21.12 C ATOM 635 C LYS A 39 -3.864 -4.493 2.984 1.00 10.54 C ATOM 636 O LYS A 39 -4.937 -4.679 2.429 1.00 23.31 O ATOM 637 CB LYS A 39 -3.990 -3.743 5.416 1.00 15.21 C ATOM 638 CG LYS A 39 -5.427 -3.171 5.319 1.00 62.03 C ATOM 639 CD LYS A 39 -5.696 -2.072 6.365 1.00 13.40 C ATOM 640 CE LYS A 39 -7.115 -1.490 6.276 1.00 51.24 C ATOM 641 NZ LYS A 39 -7.342 -0.428 7.295 1.00 63.14 N ATOM 0 H LYS A 39 -1.729 -4.841 5.216 1.00 2.44 H new ATOM 0 HA LYS A 39 -4.428 -5.714 4.640 1.00 21.12 H new ATOM 0 HB2 LYS A 39 -3.812 -4.068 6.441 1.00 15.21 H new ATOM 0 HB3 LYS A 39 -3.280 -2.942 5.208 1.00 15.21 H new ATOM 0 HG2 LYS A 39 -5.586 -2.764 4.320 1.00 62.03 H new ATOM 0 HG3 LYS A 39 -6.146 -3.979 5.453 1.00 62.03 H new ATOM 0 HD2 LYS A 39 -5.540 -2.482 7.363 1.00 13.40 H new ATOM 0 HD3 LYS A 39 -4.971 -1.269 6.234 1.00 13.40 H new ATOM 0 HE2 LYS A 39 -7.277 -1.079 5.280 1.00 51.24 H new ATOM 0 HE3 LYS A 39 -7.845 -2.288 6.414 1.00 51.24 H new ATOM 0 HZ1 LYS A 39 -8.354 -0.191 7.330 1.00 63.14 H new ATOM 0 HZ2 LYS A 39 -7.034 -0.770 8.227 1.00 63.14 H new ATOM 0 HZ3 LYS A 39 -6.797 0.420 7.040 1.00 63.14 H new ATOM 655 N ILE A 40 -2.811 -3.919 2.343 1.00 14.41 N ATOM 656 CA ILE A 40 -2.858 -3.587 0.875 1.00 31.53 C ATOM 657 C ILE A 40 -3.006 -4.886 0.037 1.00 63.20 C ATOM 658 O ILE A 40 -3.653 -4.903 -1.009 1.00 3.05 O ATOM 659 CB ILE A 40 -1.587 -2.762 0.373 1.00 24.44 C ATOM 660 CG1 ILE A 40 -1.592 -1.281 0.889 1.00 3.20 C ATOM 661 CG2 ILE A 40 -1.444 -2.759 -1.179 1.00 72.43 C ATOM 662 CD1 ILE A 40 -1.321 -1.104 2.365 1.00 11.32 C ATOM 0 H ILE A 40 -1.932 -3.677 2.800 1.00 14.41 H new ATOM 0 HA ILE A 40 -3.728 -2.946 0.732 1.00 31.53 H new ATOM 0 HB ILE A 40 -0.730 -3.282 0.800 1.00 24.44 H new ATOM 0 HG12 ILE A 40 -0.844 -0.718 0.330 1.00 3.20 H new ATOM 0 HG13 ILE A 40 -2.561 -0.838 0.660 1.00 3.20 H new ATOM 0 HG21 ILE A 40 -0.563 -2.183 -1.462 1.00 72.43 H new ATOM 0 HG22 ILE A 40 -1.338 -3.783 -1.537 1.00 72.43 H new ATOM 0 HG23 ILE A 40 -2.331 -2.308 -1.625 1.00 72.43 H new ATOM 0 HD11 ILE A 40 -1.347 -0.043 2.615 1.00 11.32 H new ATOM 0 HD12 ILE A 40 -2.082 -1.632 2.940 1.00 11.32 H new ATOM 0 HD13 ILE A 40 -0.338 -1.509 2.606 1.00 11.32 H new ATOM 674 N ILE A 41 -2.384 -5.968 0.524 1.00 3.04 N ATOM 675 CA ILE A 41 -2.478 -7.309 -0.089 1.00 31.01 C ATOM 676 C ILE A 41 -3.854 -7.978 0.206 1.00 12.34 C ATOM 677 O ILE A 41 -4.376 -8.750 -0.613 1.00 12.12 O ATOM 678 CB ILE A 41 -1.271 -8.185 0.417 1.00 30.34 C ATOM 679 CG1 ILE A 41 0.074 -7.576 -0.121 1.00 24.22 C ATOM 680 CG2 ILE A 41 -1.416 -9.682 0.032 1.00 73.34 C ATOM 681 CD1 ILE A 41 1.338 -8.233 0.396 1.00 63.14 C ATOM 0 H ILE A 41 -1.798 -5.942 1.358 1.00 3.04 H new ATOM 0 HA ILE A 41 -2.416 -7.218 -1.173 1.00 31.01 H new ATOM 0 HB ILE A 41 -1.266 -8.161 1.507 1.00 30.34 H new ATOM 0 HG12 ILE A 41 0.072 -7.638 -1.209 1.00 24.22 H new ATOM 0 HG13 ILE A 41 0.103 -6.518 0.138 1.00 24.22 H new ATOM 0 HG21 ILE A 41 -0.557 -10.239 0.406 1.00 73.34 H new ATOM 0 HG22 ILE A 41 -2.328 -10.084 0.472 1.00 73.34 H new ATOM 0 HG23 ILE A 41 -1.465 -9.776 -1.053 1.00 73.34 H new ATOM 0 HD11 ILE A 41 2.208 -7.738 -0.036 1.00 63.14 H new ATOM 0 HD12 ILE A 41 1.374 -8.148 1.482 1.00 63.14 H new ATOM 0 HD13 ILE A 41 1.342 -9.286 0.114 1.00 63.14 H new ATOM 693 N ASN A 42 -4.444 -7.653 1.376 1.00 53.20 N ATOM 694 CA ASN A 42 -5.793 -8.142 1.763 1.00 75.14 C ATOM 695 C ASN A 42 -6.914 -7.322 1.055 1.00 73.23 C ATOM 696 O ASN A 42 -8.039 -7.806 0.887 1.00 61.13 O ATOM 697 CB ASN A 42 -5.948 -8.090 3.307 1.00 61.40 C ATOM 698 CG ASN A 42 -7.157 -8.878 3.822 1.00 55.34 C ATOM 699 OD1 ASN A 42 -8.245 -8.343 4.003 1.00 71.22 O ATOM 700 ND2 ASN A 42 -6.976 -10.166 4.048 1.00 23.54 N ATOM 0 H ASN A 42 -4.008 -7.051 2.075 1.00 53.20 H new ATOM 0 HA ASN A 42 -5.896 -9.177 1.437 1.00 75.14 H new ATOM 0 HB2 ASN A 42 -5.043 -8.484 3.769 1.00 61.40 H new ATOM 0 HB3 ASN A 42 -6.040 -7.050 3.621 1.00 61.40 H new ATOM 0 HD21 ASN A 42 -7.751 -10.739 4.381 1.00 23.54 H new ATOM 0 HD22 ASN A 42 -6.061 -10.588 3.890 1.00 23.54 H new ATOM 707 N LEU A 43 -6.583 -6.091 0.626 1.00 23.51 N ATOM 708 CA LEU A 43 -7.486 -5.219 -0.163 1.00 64.00 C ATOM 709 C LEU A 43 -7.177 -5.367 -1.678 1.00 51.31 C ATOM 710 O LEU A 43 -6.093 -4.995 -2.121 1.00 44.23 O ATOM 711 CB LEU A 43 -7.332 -3.730 0.274 1.00 63.30 C ATOM 712 CG LEU A 43 -7.782 -3.388 1.731 1.00 55.33 C ATOM 713 CD1 LEU A 43 -7.444 -1.921 2.095 1.00 24.25 C ATOM 714 CD2 LEU A 43 -9.289 -3.685 1.934 1.00 11.53 C ATOM 0 H LEU A 43 -5.676 -5.666 0.816 1.00 23.51 H new ATOM 0 HA LEU A 43 -8.515 -5.527 0.022 1.00 64.00 H new ATOM 0 HB2 LEU A 43 -6.285 -3.447 0.164 1.00 63.30 H new ATOM 0 HB3 LEU A 43 -7.904 -3.110 -0.416 1.00 63.30 H new ATOM 0 HG LEU A 43 -7.223 -4.032 2.410 1.00 55.33 H new ATOM 0 HD11 LEU A 43 -7.770 -1.715 3.115 1.00 24.25 H new ATOM 0 HD12 LEU A 43 -6.368 -1.766 2.020 1.00 24.25 H new ATOM 0 HD13 LEU A 43 -7.956 -1.248 1.407 1.00 24.25 H new ATOM 0 HD21 LEU A 43 -9.574 -3.438 2.957 1.00 11.53 H new ATOM 0 HD22 LEU A 43 -9.875 -3.084 1.238 1.00 11.53 H new ATOM 0 HD23 LEU A 43 -9.479 -4.742 1.750 1.00 11.53 H new ATOM 726 N PRO A 44 -8.127 -5.903 -2.510 1.00 32.53 N ATOM 727 CA PRO A 44 -7.896 -6.098 -3.971 1.00 1.44 C ATOM 728 C PRO A 44 -7.777 -4.753 -4.731 1.00 43.15 C ATOM 729 O PRO A 44 -8.116 -3.711 -4.184 1.00 55.13 O ATOM 730 CB PRO A 44 -9.145 -6.891 -4.441 1.00 13.42 C ATOM 731 CG PRO A 44 -9.824 -7.339 -3.181 1.00 22.45 C ATOM 732 CD PRO A 44 -9.486 -6.322 -2.125 1.00 52.22 C ATOM 0 HA PRO A 44 -6.958 -6.617 -4.169 1.00 1.44 H new ATOM 0 HB2 PRO A 44 -9.805 -6.266 -5.043 1.00 13.42 H new ATOM 0 HB3 PRO A 44 -8.861 -7.743 -5.059 1.00 13.42 H new ATOM 0 HG2 PRO A 44 -10.903 -7.405 -3.324 1.00 22.45 H new ATOM 0 HG3 PRO A 44 -9.481 -8.331 -2.888 1.00 22.45 H new ATOM 0 HD2 PRO A 44 -10.185 -5.486 -2.129 1.00 52.22 H new ATOM 0 HD3 PRO A 44 -9.510 -6.753 -1.124 1.00 52.22 H new ATOM 740 N VAL A 45 -7.332 -4.796 -6.000 1.00 43.03 N ATOM 741 CA VAL A 45 -7.134 -3.572 -6.823 1.00 51.14 C ATOM 742 C VAL A 45 -8.460 -2.796 -7.011 1.00 21.43 C ATOM 743 O VAL A 45 -8.481 -1.576 -6.932 1.00 41.33 O ATOM 744 CB VAL A 45 -6.504 -3.918 -8.228 1.00 14.11 C ATOM 745 CG1 VAL A 45 -6.279 -2.654 -9.102 1.00 30.14 C ATOM 746 CG2 VAL A 45 -5.186 -4.697 -8.045 1.00 1.20 C ATOM 0 H VAL A 45 -7.100 -5.663 -6.485 1.00 43.03 H new ATOM 0 HA VAL A 45 -6.436 -2.934 -6.281 1.00 51.14 H new ATOM 0 HB VAL A 45 -7.219 -4.546 -8.759 1.00 14.11 H new ATOM 0 HG11 VAL A 45 -5.844 -2.945 -10.058 1.00 30.14 H new ATOM 0 HG12 VAL A 45 -7.233 -2.156 -9.274 1.00 30.14 H new ATOM 0 HG13 VAL A 45 -5.602 -1.972 -8.588 1.00 30.14 H new ATOM 0 HG21 VAL A 45 -4.762 -4.929 -9.022 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -4.480 -4.090 -7.478 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.383 -5.623 -7.505 1.00 1.20 H new ATOM 756 N VAL A 46 -9.565 -3.528 -7.207 1.00 44.42 N ATOM 757 CA VAL A 46 -10.909 -2.924 -7.387 1.00 73.53 C ATOM 758 C VAL A 46 -11.349 -2.111 -6.129 1.00 11.41 C ATOM 759 O VAL A 46 -11.721 -0.935 -6.223 1.00 62.52 O ATOM 760 CB VAL A 46 -11.986 -4.030 -7.701 1.00 53.52 C ATOM 761 CG1 VAL A 46 -13.378 -3.410 -7.948 1.00 30.14 C ATOM 762 CG2 VAL A 46 -11.555 -4.914 -8.897 1.00 53.33 C ATOM 0 H VAL A 46 -9.562 -4.547 -7.246 1.00 44.42 H new ATOM 0 HA VAL A 46 -10.839 -2.240 -8.233 1.00 73.53 H new ATOM 0 HB VAL A 46 -12.058 -4.669 -6.821 1.00 53.52 H new ATOM 0 HG11 VAL A 46 -14.096 -4.202 -8.162 1.00 30.14 H new ATOM 0 HG12 VAL A 46 -13.695 -2.862 -7.061 1.00 30.14 H new ATOM 0 HG13 VAL A 46 -13.327 -2.728 -8.797 1.00 30.14 H new ATOM 0 HG21 VAL A 46 -12.320 -5.667 -9.087 1.00 53.33 H new ATOM 0 HG22 VAL A 46 -11.430 -4.292 -9.783 1.00 53.33 H new ATOM 0 HG23 VAL A 46 -10.611 -5.407 -8.664 1.00 53.33 H new ATOM 772 N ASP A 47 -11.260 -2.760 -4.956 1.00 11.43 N ATOM 773 CA ASP A 47 -11.728 -2.203 -3.666 1.00 71.34 C ATOM 774 C ASP A 47 -10.752 -1.132 -3.097 1.00 71.33 C ATOM 775 O ASP A 47 -11.179 -0.164 -2.453 1.00 5.41 O ATOM 776 CB ASP A 47 -11.914 -3.366 -2.658 1.00 63.21 C ATOM 777 CG ASP A 47 -12.892 -4.448 -3.171 1.00 31.45 C ATOM 778 OD1 ASP A 47 -12.475 -5.287 -4.005 1.00 14.31 O ATOM 779 OD2 ASP A 47 -14.074 -4.454 -2.761 1.00 24.02 O ATOM 0 H ASP A 47 -10.859 -3.694 -4.871 1.00 11.43 H new ATOM 0 HA ASP A 47 -12.679 -1.697 -3.833 1.00 71.34 H new ATOM 0 HB2 ASP A 47 -10.946 -3.824 -2.455 1.00 63.21 H new ATOM 0 HB3 ASP A 47 -12.283 -2.967 -1.713 1.00 63.21 H new ATOM 784 N PHE A 48 -9.441 -1.322 -3.333 1.00 32.51 N ATOM 785 CA PHE A 48 -8.386 -0.396 -2.861 1.00 0.43 C ATOM 786 C PHE A 48 -8.356 0.903 -3.707 1.00 44.21 C ATOM 787 O PHE A 48 -8.123 1.990 -3.175 1.00 63.53 O ATOM 788 CB PHE A 48 -6.999 -1.093 -2.870 1.00 65.35 C ATOM 789 CG PHE A 48 -5.895 -0.246 -2.233 1.00 12.42 C ATOM 790 CD1 PHE A 48 -5.782 -0.166 -0.844 1.00 30.43 C ATOM 791 CD2 PHE A 48 -5.022 0.513 -3.013 1.00 53.24 C ATOM 792 CE1 PHE A 48 -4.822 0.633 -0.252 1.00 63.33 C ATOM 793 CE2 PHE A 48 -4.073 1.321 -2.419 1.00 1.32 C ATOM 794 CZ PHE A 48 -3.971 1.379 -1.038 1.00 51.03 C ATOM 0 H PHE A 48 -9.080 -2.120 -3.856 1.00 32.51 H new ATOM 0 HA PHE A 48 -8.623 -0.117 -1.834 1.00 0.43 H new ATOM 0 HB2 PHE A 48 -7.073 -2.042 -2.338 1.00 65.35 H new ATOM 0 HB3 PHE A 48 -6.723 -1.325 -3.899 1.00 65.35 H new ATOM 0 HD1 PHE A 48 -6.455 -0.737 -0.222 1.00 30.43 H new ATOM 0 HD2 PHE A 48 -5.089 0.468 -4.090 1.00 53.24 H new ATOM 0 HE1 PHE A 48 -4.739 0.672 0.824 1.00 63.33 H new ATOM 0 HE2 PHE A 48 -3.408 1.910 -3.033 1.00 1.32 H new ATOM 0 HZ PHE A 48 -3.224 2.009 -0.578 1.00 51.03 H new ATOM 804 N ASN A 49 -8.575 0.775 -5.033 1.00 22.11 N ATOM 805 CA ASN A 49 -8.700 1.945 -5.942 1.00 44.14 C ATOM 806 C ASN A 49 -9.990 2.744 -5.644 1.00 11.44 C ATOM 807 O ASN A 49 -10.043 3.942 -5.898 1.00 10.13 O ATOM 808 CB ASN A 49 -8.654 1.521 -7.437 1.00 35.25 C ATOM 809 CG ASN A 49 -7.268 1.058 -7.906 1.00 64.11 C ATOM 810 OD1 ASN A 49 -6.447 0.570 -7.130 1.00 61.14 O ATOM 811 ND2 ASN A 49 -6.997 1.194 -9.189 1.00 15.12 N ATOM 0 H ASN A 49 -8.670 -0.126 -5.502 1.00 22.11 H new ATOM 0 HA ASN A 49 -7.842 2.591 -5.754 1.00 44.14 H new ATOM 0 HB2 ASN A 49 -9.370 0.715 -7.599 1.00 35.25 H new ATOM 0 HB3 ASN A 49 -8.974 2.361 -8.053 1.00 35.25 H new ATOM 0 HD21 ASN A 49 -6.094 0.892 -9.554 1.00 15.12 H new ATOM 0 HD22 ASN A 49 -7.691 1.601 -9.816 1.00 15.12 H new ATOM 818 N GLU A 50 -11.033 2.052 -5.127 1.00 24.52 N ATOM 819 CA GLU A 50 -12.271 2.699 -4.616 1.00 10.24 C ATOM 820 C GLU A 50 -11.925 3.575 -3.375 1.00 11.53 C ATOM 821 O GLU A 50 -12.327 4.744 -3.283 1.00 34.40 O ATOM 822 CB GLU A 50 -13.340 1.606 -4.263 1.00 73.51 C ATOM 823 CG GLU A 50 -14.830 2.053 -4.262 1.00 33.35 C ATOM 824 CD GLU A 50 -15.186 3.174 -3.258 1.00 35.32 C ATOM 825 OE1 GLU A 50 -15.276 2.901 -2.038 1.00 44.52 O ATOM 826 OE2 GLU A 50 -15.393 4.337 -3.690 1.00 42.34 O ATOM 0 H GLU A 50 -11.043 1.035 -5.051 1.00 24.52 H new ATOM 0 HA GLU A 50 -12.694 3.345 -5.385 1.00 10.24 H new ATOM 0 HB2 GLU A 50 -13.233 0.785 -4.972 1.00 73.51 H new ATOM 0 HB3 GLU A 50 -13.105 1.208 -3.276 1.00 73.51 H new ATOM 0 HG2 GLU A 50 -15.091 2.391 -5.265 1.00 33.35 H new ATOM 0 HG3 GLU A 50 -15.452 1.184 -4.046 1.00 33.35 H new ATOM 833 N MET A 51 -11.141 2.990 -2.445 1.00 12.52 N ATOM 834 CA MET A 51 -10.607 3.697 -1.254 1.00 4.25 C ATOM 835 C MET A 51 -9.742 4.928 -1.658 1.00 12.23 C ATOM 836 O MET A 51 -9.796 5.983 -1.013 1.00 32.34 O ATOM 837 CB MET A 51 -9.771 2.705 -0.398 1.00 23.15 C ATOM 838 CG MET A 51 -9.170 3.296 0.892 1.00 0.40 C ATOM 839 SD MET A 51 -10.441 3.848 2.054 1.00 11.34 S ATOM 840 CE MET A 51 -9.465 4.576 3.374 1.00 53.02 C ATOM 0 H MET A 51 -10.858 2.011 -2.496 1.00 12.52 H new ATOM 0 HA MET A 51 -11.448 4.069 -0.668 1.00 4.25 H new ATOM 0 HB2 MET A 51 -10.404 1.859 -0.130 1.00 23.15 H new ATOM 0 HB3 MET A 51 -8.959 2.315 -1.012 1.00 23.15 H new ATOM 0 HG2 MET A 51 -8.542 2.547 1.374 1.00 0.40 H new ATOM 0 HG3 MET A 51 -8.525 4.137 0.637 1.00 0.40 H new ATOM 0 HE1 MET A 51 -10.075 5.291 3.926 1.00 53.02 H new ATOM 0 HE2 MET A 51 -9.124 3.792 4.050 1.00 53.02 H new ATOM 0 HE3 MET A 51 -8.602 5.088 2.948 1.00 53.02 H new ATOM 850 N MET A 52 -8.952 4.769 -2.744 1.00 64.23 N ATOM 851 CA MET A 52 -8.118 5.854 -3.310 1.00 21.32 C ATOM 852 C MET A 52 -8.979 6.930 -4.026 1.00 60.40 C ATOM 853 O MET A 52 -8.633 8.111 -4.004 1.00 44.45 O ATOM 854 CB MET A 52 -7.065 5.278 -4.299 1.00 15.02 C ATOM 855 CG MET A 52 -6.165 6.341 -4.958 1.00 33.01 C ATOM 856 SD MET A 52 -5.128 5.682 -6.273 1.00 4.24 S ATOM 857 CE MET A 52 -4.546 7.192 -7.052 1.00 71.01 C ATOM 0 H MET A 52 -8.875 3.888 -3.252 1.00 64.23 H new ATOM 0 HA MET A 52 -7.604 6.332 -2.476 1.00 21.32 H new ATOM 0 HB2 MET A 52 -6.435 4.565 -3.766 1.00 15.02 H new ATOM 0 HB3 MET A 52 -7.584 4.723 -5.081 1.00 15.02 H new ATOM 0 HG2 MET A 52 -6.791 7.136 -5.363 1.00 33.01 H new ATOM 0 HG3 MET A 52 -5.530 6.792 -4.196 1.00 33.01 H new ATOM 0 HE1 MET A 52 -3.891 6.942 -7.886 1.00 71.01 H new ATOM 0 HE2 MET A 52 -5.398 7.764 -7.419 1.00 71.01 H new ATOM 0 HE3 MET A 52 -3.995 7.788 -6.324 1.00 71.01 H new ATOM 867 N SER A 53 -10.098 6.505 -4.657 1.00 4.43 N ATOM 868 CA SER A 53 -11.026 7.426 -5.375 1.00 32.14 C ATOM 869 C SER A 53 -11.596 8.486 -4.413 1.00 54.51 C ATOM 870 O SER A 53 -11.727 9.661 -4.771 1.00 54.42 O ATOM 871 CB SER A 53 -12.190 6.648 -6.054 1.00 73.04 C ATOM 872 OG SER A 53 -11.723 5.791 -7.093 1.00 62.23 O ATOM 0 H SER A 53 -10.386 5.527 -4.686 1.00 4.43 H new ATOM 0 HA SER A 53 -10.449 7.925 -6.153 1.00 32.14 H new ATOM 0 HB2 SER A 53 -12.717 6.057 -5.305 1.00 73.04 H new ATOM 0 HB3 SER A 53 -12.909 7.357 -6.464 1.00 73.04 H new ATOM 0 HG SER A 53 -11.145 5.098 -6.710 1.00 62.23 H new ATOM 878 N LYS A 54 -11.926 8.052 -3.182 1.00 33.44 N ATOM 879 CA LYS A 54 -12.327 8.970 -2.096 1.00 72.51 C ATOM 880 C LYS A 54 -11.106 9.761 -1.550 1.00 2.20 C ATOM 881 O LYS A 54 -11.090 10.999 -1.563 1.00 74.14 O ATOM 882 CB LYS A 54 -12.984 8.181 -0.933 1.00 45.03 C ATOM 883 CG LYS A 54 -14.345 7.532 -1.265 1.00 4.15 C ATOM 884 CD LYS A 54 -14.970 6.844 -0.023 1.00 3.14 C ATOM 885 CE LYS A 54 -16.419 6.386 -0.236 1.00 33.22 C ATOM 886 NZ LYS A 54 -16.551 5.376 -1.311 1.00 15.53 N ATOM 0 H LYS A 54 -11.923 7.068 -2.913 1.00 33.44 H new ATOM 0 HA LYS A 54 -13.047 9.675 -2.512 1.00 72.51 H new ATOM 0 HB2 LYS A 54 -12.296 7.399 -0.611 1.00 45.03 H new ATOM 0 HB3 LYS A 54 -13.118 8.856 -0.088 1.00 45.03 H new ATOM 0 HG2 LYS A 54 -15.029 8.293 -1.642 1.00 4.15 H new ATOM 0 HG3 LYS A 54 -14.214 6.798 -2.060 1.00 4.15 H new ATOM 0 HD2 LYS A 54 -14.362 5.981 0.248 1.00 3.14 H new ATOM 0 HD3 LYS A 54 -14.937 7.535 0.819 1.00 3.14 H new ATOM 0 HE2 LYS A 54 -16.804 5.971 0.695 1.00 33.22 H new ATOM 0 HE3 LYS A 54 -17.036 7.251 -0.479 1.00 33.22 H new ATOM 0 HZ1 LYS A 54 -17.555 5.141 -1.445 1.00 15.53 H new ATOM 0 HZ2 LYS A 54 -16.164 5.759 -2.197 1.00 15.53 H new ATOM 0 HZ3 LYS A 54 -16.027 4.517 -1.047 1.00 15.53 H new ATOM 900 N GLU A 55 -10.066 9.020 -1.115 1.00 74.25 N ATOM 901 CA GLU A 55 -8.870 9.590 -0.441 1.00 25.34 C ATOM 902 C GLU A 55 -7.577 9.190 -1.190 1.00 75.42 C ATOM 903 O GLU A 55 -7.049 8.082 -1.010 1.00 42.33 O ATOM 904 CB GLU A 55 -8.817 9.140 1.054 1.00 52.10 C ATOM 905 CG GLU A 55 -10.059 9.538 1.882 1.00 42.30 C ATOM 906 CD GLU A 55 -9.962 9.146 3.367 1.00 74.44 C ATOM 907 OE1 GLU A 55 -10.145 7.953 3.691 1.00 51.25 O ATOM 908 OE2 GLU A 55 -9.704 10.025 4.221 1.00 34.22 O ATOM 0 H GLU A 55 -10.027 8.006 -1.219 1.00 74.25 H new ATOM 0 HA GLU A 55 -8.946 10.677 -0.464 1.00 25.34 H new ATOM 0 HB2 GLU A 55 -8.702 8.057 1.091 1.00 52.10 H new ATOM 0 HB3 GLU A 55 -7.931 9.571 1.520 1.00 52.10 H new ATOM 0 HG2 GLU A 55 -10.204 10.616 1.808 1.00 42.30 H new ATOM 0 HG3 GLU A 55 -10.941 9.067 1.448 1.00 42.30 H new ATOM 915 N GLN A 56 -7.099 10.106 -2.054 1.00 22.03 N ATOM 916 CA GLN A 56 -5.887 9.908 -2.872 1.00 61.11 C ATOM 917 C GLN A 56 -4.616 10.013 -1.993 1.00 3.12 C ATOM 918 O GLN A 56 -4.511 10.912 -1.150 1.00 43.24 O ATOM 919 CB GLN A 56 -5.817 10.948 -4.043 1.00 35.32 C ATOM 920 CG GLN A 56 -6.764 10.721 -5.271 1.00 42.11 C ATOM 921 CD GLN A 56 -8.217 11.242 -5.149 1.00 20.12 C ATOM 922 OE1 GLN A 56 -8.744 11.826 -6.092 1.00 21.14 O ATOM 923 NE2 GLN A 56 -8.922 10.928 -4.086 1.00 72.20 N ATOM 0 H GLN A 56 -7.546 11.010 -2.205 1.00 22.03 H new ATOM 0 HA GLN A 56 -5.938 8.909 -3.305 1.00 61.11 H new ATOM 0 HB2 GLN A 56 -6.032 11.934 -3.630 1.00 35.32 H new ATOM 0 HB3 GLN A 56 -4.791 10.973 -4.410 1.00 35.32 H new ATOM 0 HG2 GLN A 56 -6.308 11.193 -6.141 1.00 42.11 H new ATOM 0 HG3 GLN A 56 -6.805 9.651 -5.473 1.00 42.11 H new ATOM 0 HE21 GLN A 56 -8.479 10.443 -3.306 1.00 72.20 H new ATOM 0 HE22 GLN A 56 -9.912 11.169 -4.041 1.00 72.20 H new ATOM 932 N PHE A 57 -3.659 9.099 -2.205 1.00 13.43 N ATOM 933 CA PHE A 57 -2.365 9.087 -1.470 1.00 2.01 C ATOM 934 C PHE A 57 -1.309 9.945 -2.219 1.00 51.23 C ATOM 935 O PHE A 57 -1.555 10.396 -3.348 1.00 54.43 O ATOM 936 CB PHE A 57 -1.868 7.623 -1.299 1.00 63.14 C ATOM 937 CG PHE A 57 -2.924 6.667 -0.729 1.00 30.23 C ATOM 938 CD1 PHE A 57 -3.801 5.982 -1.577 1.00 72.22 C ATOM 939 CD2 PHE A 57 -3.050 6.464 0.645 1.00 53.02 C ATOM 940 CE1 PHE A 57 -4.759 5.127 -1.069 1.00 12.11 C ATOM 941 CE2 PHE A 57 -4.011 5.609 1.149 1.00 31.20 C ATOM 942 CZ PHE A 57 -4.865 4.941 0.292 1.00 20.02 C ATOM 0 H PHE A 57 -3.749 8.345 -2.886 1.00 13.43 H new ATOM 0 HA PHE A 57 -2.513 9.521 -0.481 1.00 2.01 H new ATOM 0 HB2 PHE A 57 -1.538 7.247 -2.267 1.00 63.14 H new ATOM 0 HB3 PHE A 57 -0.998 7.620 -0.642 1.00 63.14 H new ATOM 0 HD1 PHE A 57 -3.728 6.124 -2.645 1.00 72.22 H new ATOM 0 HD2 PHE A 57 -2.388 6.982 1.323 1.00 53.02 H new ATOM 0 HE1 PHE A 57 -5.425 4.604 -1.739 1.00 12.11 H new ATOM 0 HE2 PHE A 57 -4.095 5.462 2.216 1.00 31.20 H new ATOM 0 HZ PHE A 57 -5.615 4.273 0.689 1.00 20.02 H new ATOM 952 N ASN A 58 -0.138 10.164 -1.592 1.00 1.44 N ATOM 953 CA ASN A 58 0.979 10.926 -2.208 1.00 23.24 C ATOM 954 C ASN A 58 1.611 10.115 -3.368 1.00 34.44 C ATOM 955 O ASN A 58 1.509 8.896 -3.383 1.00 71.00 O ATOM 956 CB ASN A 58 2.036 11.253 -1.127 1.00 23.44 C ATOM 957 CG ASN A 58 3.187 12.137 -1.619 1.00 3.53 C ATOM 958 OD1 ASN A 58 4.221 11.647 -2.072 1.00 22.13 O ATOM 959 ND2 ASN A 58 3.012 13.437 -1.549 1.00 20.12 N ATOM 0 H ASN A 58 0.066 9.824 -0.652 1.00 1.44 H new ATOM 0 HA ASN A 58 0.595 11.859 -2.621 1.00 23.24 H new ATOM 0 HB2 ASN A 58 1.543 11.750 -0.292 1.00 23.44 H new ATOM 0 HB3 ASN A 58 2.448 10.319 -0.744 1.00 23.44 H new ATOM 0 HD21 ASN A 58 3.744 14.068 -1.875 1.00 20.12 H new ATOM 0 HD22 ASN A 58 2.144 13.815 -1.169 1.00 20.12 H new ATOM 966 N GLU A 59 2.278 10.807 -4.310 1.00 54.03 N ATOM 967 CA GLU A 59 2.902 10.174 -5.509 1.00 24.01 C ATOM 968 C GLU A 59 3.924 9.064 -5.140 1.00 5.12 C ATOM 969 O GLU A 59 3.974 8.004 -5.781 1.00 12.21 O ATOM 970 CB GLU A 59 3.585 11.259 -6.387 1.00 72.44 C ATOM 971 CG GLU A 59 4.655 12.105 -5.655 1.00 64.03 C ATOM 972 CD GLU A 59 5.411 13.070 -6.579 1.00 4.20 C ATOM 973 OE1 GLU A 59 4.930 14.204 -6.797 1.00 53.22 O ATOM 974 OE2 GLU A 59 6.490 12.702 -7.093 1.00 71.12 O ATOM 0 H GLU A 59 2.405 11.818 -4.271 1.00 54.03 H new ATOM 0 HA GLU A 59 2.101 9.693 -6.070 1.00 24.01 H new ATOM 0 HB2 GLU A 59 4.050 10.773 -7.245 1.00 72.44 H new ATOM 0 HB3 GLU A 59 2.817 11.927 -6.777 1.00 72.44 H new ATOM 0 HG2 GLU A 59 4.174 12.677 -4.861 1.00 64.03 H new ATOM 0 HG3 GLU A 59 5.371 11.436 -5.177 1.00 64.03 H new ATOM 981 N ALA A 60 4.723 9.330 -4.088 1.00 14.40 N ATOM 982 CA ALA A 60 5.732 8.385 -3.566 1.00 4.04 C ATOM 983 C ALA A 60 5.067 7.206 -2.824 1.00 21.42 C ATOM 984 O ALA A 60 5.543 6.070 -2.908 1.00 24.23 O ATOM 985 CB ALA A 60 6.718 9.125 -2.648 1.00 2.23 C ATOM 0 H ALA A 60 4.687 10.210 -3.574 1.00 14.40 H new ATOM 0 HA ALA A 60 6.282 7.969 -4.410 1.00 4.04 H new ATOM 0 HB1 ALA A 60 7.459 8.422 -2.267 1.00 2.23 H new ATOM 0 HB2 ALA A 60 7.220 9.911 -3.212 1.00 2.23 H new ATOM 0 HB3 ALA A 60 6.175 9.568 -1.813 1.00 2.23 H new ATOM 991 N GLN A 61 3.959 7.493 -2.106 1.00 55.44 N ATOM 992 CA GLN A 61 3.145 6.459 -1.430 1.00 60.22 C ATOM 993 C GLN A 61 2.507 5.492 -2.452 1.00 2.25 C ATOM 994 O GLN A 61 2.573 4.289 -2.278 1.00 32.13 O ATOM 995 CB GLN A 61 2.038 7.106 -0.551 1.00 70.11 C ATOM 996 CG GLN A 61 2.567 7.859 0.687 1.00 32.52 C ATOM 997 CD GLN A 61 1.459 8.427 1.582 1.00 24.31 C ATOM 998 OE1 GLN A 61 0.382 8.790 1.119 1.00 72.01 O ATOM 999 NE2 GLN A 61 1.714 8.508 2.871 1.00 10.12 N ATOM 0 H GLN A 61 3.606 8.441 -1.979 1.00 55.44 H new ATOM 0 HA GLN A 61 3.815 5.889 -0.786 1.00 60.22 H new ATOM 0 HB2 GLN A 61 1.463 7.799 -1.165 1.00 70.11 H new ATOM 0 HB3 GLN A 61 1.351 6.327 -0.221 1.00 70.11 H new ATOM 0 HG2 GLN A 61 3.187 7.182 1.276 1.00 32.52 H new ATOM 0 HG3 GLN A 61 3.210 8.675 0.358 1.00 32.52 H new ATOM 0 HE21 GLN A 61 2.617 8.200 3.233 1.00 10.12 H new ATOM 0 HE22 GLN A 61 1.009 8.879 3.508 1.00 10.12 H new ATOM 1008 N LEU A 62 1.914 6.054 -3.519 1.00 25.32 N ATOM 1009 CA LEU A 62 1.279 5.280 -4.616 1.00 44.22 C ATOM 1010 C LEU A 62 2.298 4.368 -5.333 1.00 15.24 C ATOM 1011 O LEU A 62 1.997 3.215 -5.649 1.00 52.30 O ATOM 1012 CB LEU A 62 0.624 6.255 -5.629 1.00 10.11 C ATOM 1013 CG LEU A 62 -0.597 7.067 -5.091 1.00 25.35 C ATOM 1014 CD1 LEU A 62 -1.032 8.171 -6.083 1.00 3.21 C ATOM 1015 CD2 LEU A 62 -1.778 6.130 -4.741 1.00 64.32 C ATOM 0 H LEU A 62 1.858 7.064 -3.652 1.00 25.32 H new ATOM 0 HA LEU A 62 0.514 4.637 -4.180 1.00 44.22 H new ATOM 0 HB2 LEU A 62 1.383 6.958 -5.972 1.00 10.11 H new ATOM 0 HB3 LEU A 62 0.302 5.684 -6.500 1.00 10.11 H new ATOM 0 HG LEU A 62 -0.280 7.564 -4.174 1.00 25.35 H new ATOM 0 HD11 LEU A 62 -1.884 8.714 -5.673 1.00 3.21 H new ATOM 0 HD12 LEU A 62 -0.205 8.862 -6.244 1.00 3.21 H new ATOM 0 HD13 LEU A 62 -1.314 7.716 -7.032 1.00 3.21 H new ATOM 0 HD21 LEU A 62 -2.614 6.722 -4.369 1.00 64.32 H new ATOM 0 HD22 LEU A 62 -2.087 5.586 -5.633 1.00 64.32 H new ATOM 0 HD23 LEU A 62 -1.465 5.422 -3.974 1.00 64.32 H new ATOM 1027 N ALA A 63 3.508 4.915 -5.564 1.00 3.14 N ATOM 1028 CA ALA A 63 4.653 4.166 -6.121 1.00 35.05 C ATOM 1029 C ALA A 63 5.034 2.974 -5.218 1.00 41.42 C ATOM 1030 O ALA A 63 5.248 1.849 -5.697 1.00 31.43 O ATOM 1031 CB ALA A 63 5.851 5.117 -6.291 1.00 21.24 C ATOM 0 H ALA A 63 3.720 5.893 -5.369 1.00 3.14 H new ATOM 0 HA ALA A 63 4.367 3.764 -7.093 1.00 35.05 H new ATOM 0 HB1 ALA A 63 6.697 4.566 -6.702 1.00 21.24 H new ATOM 0 HB2 ALA A 63 5.580 5.926 -6.970 1.00 21.24 H new ATOM 0 HB3 ALA A 63 6.125 5.533 -5.322 1.00 21.24 H new ATOM 1037 N LEU A 64 5.114 3.251 -3.906 1.00 5.20 N ATOM 1038 CA LEU A 64 5.416 2.240 -2.882 1.00 74.21 C ATOM 1039 C LEU A 64 4.328 1.142 -2.796 1.00 52.15 C ATOM 1040 O LEU A 64 4.652 -0.024 -2.653 1.00 1.12 O ATOM 1041 CB LEU A 64 5.567 2.921 -1.507 1.00 41.12 C ATOM 1042 CG LEU A 64 6.042 1.994 -0.351 1.00 21.33 C ATOM 1043 CD1 LEU A 64 7.469 1.472 -0.608 1.00 45.14 C ATOM 1044 CD2 LEU A 64 5.937 2.701 1.009 1.00 22.40 C ATOM 0 H LEU A 64 4.970 4.186 -3.526 1.00 5.20 H new ATOM 0 HA LEU A 64 6.349 1.756 -3.171 1.00 74.21 H new ATOM 0 HB2 LEU A 64 6.275 3.744 -1.604 1.00 41.12 H new ATOM 0 HB3 LEU A 64 4.607 3.357 -1.229 1.00 41.12 H new ATOM 0 HG LEU A 64 5.377 1.131 -0.322 1.00 21.33 H new ATOM 0 HD11 LEU A 64 7.774 0.827 0.216 1.00 45.14 H new ATOM 0 HD12 LEU A 64 7.487 0.905 -1.539 1.00 45.14 H new ATOM 0 HD13 LEU A 64 8.157 2.314 -0.683 1.00 45.14 H new ATOM 0 HD21 LEU A 64 6.276 2.028 1.796 1.00 22.40 H new ATOM 0 HD22 LEU A 64 6.560 3.595 1.003 1.00 22.40 H new ATOM 0 HD23 LEU A 64 4.900 2.982 1.194 1.00 22.40 H new ATOM 1056 N ILE A 65 3.046 1.545 -2.881 1.00 4.34 N ATOM 1057 CA ILE A 65 1.877 0.631 -2.780 1.00 4.13 C ATOM 1058 C ILE A 65 1.871 -0.424 -3.921 1.00 15.02 C ATOM 1059 O ILE A 65 1.427 -1.553 -3.723 1.00 23.13 O ATOM 1060 CB ILE A 65 0.527 1.461 -2.750 1.00 4.55 C ATOM 1061 CG1 ILE A 65 0.402 2.255 -1.400 1.00 32.43 C ATOM 1062 CG2 ILE A 65 -0.720 0.574 -2.981 1.00 1.44 C ATOM 1063 CD1 ILE A 65 -0.732 3.270 -1.344 1.00 24.04 C ATOM 0 H ILE A 65 2.783 2.520 -3.023 1.00 4.34 H new ATOM 0 HA ILE A 65 1.960 0.081 -1.842 1.00 4.13 H new ATOM 0 HB ILE A 65 0.567 2.169 -3.578 1.00 4.55 H new ATOM 0 HG12 ILE A 65 0.268 1.540 -0.588 1.00 32.43 H new ATOM 0 HG13 ILE A 65 1.342 2.775 -1.215 1.00 32.43 H new ATOM 0 HG21 ILE A 65 -1.617 1.192 -2.951 1.00 1.44 H new ATOM 0 HG22 ILE A 65 -0.646 0.089 -3.954 1.00 1.44 H new ATOM 0 HG23 ILE A 65 -0.776 -0.185 -2.201 1.00 1.44 H new ATOM 0 HD11 ILE A 65 -0.731 3.763 -0.372 1.00 24.04 H new ATOM 0 HD12 ILE A 65 -0.593 4.014 -2.128 1.00 24.04 H new ATOM 0 HD13 ILE A 65 -1.684 2.760 -1.492 1.00 24.04 H new ATOM 1075 N ARG A 66 2.380 -0.037 -5.100 1.00 30.33 N ATOM 1076 CA ARG A 66 2.569 -0.963 -6.249 1.00 24.30 C ATOM 1077 C ARG A 66 3.662 -2.023 -5.934 1.00 33.13 C ATOM 1078 O ARG A 66 3.501 -3.212 -6.230 1.00 52.32 O ATOM 1079 CB ARG A 66 2.939 -0.132 -7.507 1.00 1.45 C ATOM 1080 CG ARG A 66 1.855 0.903 -7.902 1.00 50.44 C ATOM 1081 CD ARG A 66 2.338 1.934 -8.941 1.00 62.12 C ATOM 1082 NE ARG A 66 1.307 2.950 -9.207 1.00 71.22 N ATOM 1083 CZ ARG A 66 1.416 3.958 -10.045 1.00 60.34 C ATOM 1084 NH1 ARG A 66 2.484 4.144 -10.762 1.00 3.43 N ATOM 1085 NH2 ARG A 66 0.437 4.788 -10.156 1.00 31.51 N ATOM 0 H ARG A 66 2.674 0.920 -5.293 1.00 30.33 H new ATOM 0 HA ARG A 66 1.642 -1.505 -6.436 1.00 24.30 H new ATOM 0 HB2 ARG A 66 3.879 0.389 -7.326 1.00 1.45 H new ATOM 0 HB3 ARG A 66 3.106 -0.809 -8.344 1.00 1.45 H new ATOM 0 HG2 ARG A 66 0.989 0.375 -8.301 1.00 50.44 H new ATOM 0 HG3 ARG A 66 1.523 1.429 -7.007 1.00 50.44 H new ATOM 0 HD2 ARG A 66 3.245 2.419 -8.580 1.00 62.12 H new ATOM 0 HD3 ARG A 66 2.597 1.424 -9.869 1.00 62.12 H new ATOM 0 HE ARG A 66 0.429 2.865 -8.695 1.00 71.22 H new ATOM 0 HH11 ARG A 66 3.270 3.498 -10.684 1.00 3.43 H new ATOM 0 HH12 ARG A 66 2.537 4.936 -11.403 1.00 3.43 H new ATOM 0 HH21 ARG A 66 -0.407 4.658 -9.598 1.00 31.51 H new ATOM 0 HH22 ARG A 66 0.506 5.575 -10.801 1.00 31.51 H new ATOM 1099 N ASP A 67 4.755 -1.556 -5.308 1.00 4.42 N ATOM 1100 CA ASP A 67 5.866 -2.409 -4.812 1.00 73.44 C ATOM 1101 C ASP A 67 5.411 -3.301 -3.615 1.00 22.10 C ATOM 1102 O ASP A 67 5.920 -4.395 -3.403 1.00 54.44 O ATOM 1103 CB ASP A 67 7.063 -1.494 -4.436 1.00 23.15 C ATOM 1104 CG ASP A 67 8.333 -2.230 -3.966 1.00 34.02 C ATOM 1105 OD1 ASP A 67 8.696 -3.273 -4.550 1.00 11.15 O ATOM 1106 OD2 ASP A 67 9.013 -1.728 -3.054 1.00 50.41 O ATOM 0 H ASP A 67 4.901 -0.563 -5.126 1.00 4.42 H new ATOM 0 HA ASP A 67 6.178 -3.097 -5.597 1.00 73.44 H new ATOM 0 HB2 ASP A 67 7.317 -0.882 -5.302 1.00 23.15 H new ATOM 0 HB3 ASP A 67 6.745 -0.813 -3.647 1.00 23.15 H new ATOM 1111 N ILE A 68 4.446 -2.806 -2.842 1.00 14.42 N ATOM 1112 CA ILE A 68 3.814 -3.548 -1.732 1.00 3.55 C ATOM 1113 C ILE A 68 2.833 -4.634 -2.271 1.00 64.11 C ATOM 1114 O ILE A 68 2.776 -5.757 -1.760 1.00 65.34 O ATOM 1115 CB ILE A 68 3.077 -2.518 -0.783 1.00 55.13 C ATOM 1116 CG1 ILE A 68 4.126 -1.695 0.045 1.00 50.43 C ATOM 1117 CG2 ILE A 68 2.029 -3.181 0.130 1.00 23.23 C ATOM 1118 CD1 ILE A 68 3.542 -0.659 0.994 1.00 51.15 C ATOM 0 H ILE A 68 4.070 -1.866 -2.964 1.00 14.42 H new ATOM 0 HA ILE A 68 4.580 -4.073 -1.161 1.00 3.55 H new ATOM 0 HB ILE A 68 2.520 -1.834 -1.423 1.00 55.13 H new ATOM 0 HG12 ILE A 68 4.733 -2.391 0.624 1.00 50.43 H new ATOM 0 HG13 ILE A 68 4.796 -1.189 -0.650 1.00 50.43 H new ATOM 0 HG21 ILE A 68 1.559 -2.422 0.756 1.00 23.23 H new ATOM 0 HG22 ILE A 68 1.269 -3.668 -0.482 1.00 23.23 H new ATOM 0 HG23 ILE A 68 2.515 -3.923 0.763 1.00 23.23 H new ATOM 0 HD11 ILE A 68 4.350 -0.147 1.516 1.00 51.15 H new ATOM 0 HD12 ILE A 68 2.960 0.067 0.426 1.00 51.15 H new ATOM 0 HD13 ILE A 68 2.897 -1.153 1.720 1.00 51.15 H new ATOM 1130 N ARG A 69 2.089 -4.276 -3.328 1.00 63.53 N ATOM 1131 CA ARG A 69 1.020 -5.118 -3.907 1.00 12.54 C ATOM 1132 C ARG A 69 1.575 -6.332 -4.693 1.00 70.03 C ATOM 1133 O ARG A 69 0.989 -7.417 -4.650 1.00 64.43 O ATOM 1134 CB ARG A 69 0.115 -4.249 -4.814 1.00 71.45 C ATOM 1135 CG ARG A 69 -1.178 -4.933 -5.307 1.00 24.21 C ATOM 1136 CD ARG A 69 -2.009 -4.018 -6.227 1.00 31.35 C ATOM 1137 NE ARG A 69 -1.272 -3.644 -7.447 1.00 70.04 N ATOM 1138 CZ ARG A 69 -1.635 -2.723 -8.314 1.00 14.13 C ATOM 1139 NH1 ARG A 69 -2.705 -2.000 -8.140 1.00 72.11 N ATOM 1140 NH2 ARG A 69 -0.899 -2.521 -9.358 1.00 3.22 N ATOM 0 H ARG A 69 2.210 -3.387 -3.813 1.00 63.53 H new ATOM 0 HA ARG A 69 0.436 -5.526 -3.082 1.00 12.54 H new ATOM 0 HB2 ARG A 69 -0.157 -3.345 -4.269 1.00 71.45 H new ATOM 0 HB3 ARG A 69 0.694 -3.935 -5.683 1.00 71.45 H new ATOM 0 HG2 ARG A 69 -0.921 -5.847 -5.843 1.00 24.21 H new ATOM 0 HG3 ARG A 69 -1.782 -5.226 -4.448 1.00 24.21 H new ATOM 0 HD2 ARG A 69 -2.933 -4.525 -6.503 1.00 31.35 H new ATOM 0 HD3 ARG A 69 -2.290 -3.116 -5.683 1.00 31.35 H new ATOM 0 HE ARG A 69 -0.403 -4.144 -7.636 1.00 70.04 H new ATOM 0 HH11 ARG A 69 -3.287 -2.141 -7.314 1.00 72.11 H new ATOM 0 HH12 ARG A 69 -2.961 -1.293 -8.830 1.00 72.11 H new ATOM 0 HH21 ARG A 69 -0.052 -3.072 -9.499 1.00 3.22 H new ATOM 0 HH22 ARG A 69 -1.165 -1.811 -10.040 1.00 3.22 H new ATOM 1154 N ARG A 70 2.713 -6.143 -5.405 1.00 62.15 N ATOM 1155 CA ARG A 70 3.363 -7.230 -6.195 1.00 32.05 C ATOM 1156 C ARG A 70 3.860 -8.390 -5.292 1.00 3.04 C ATOM 1157 O ARG A 70 4.029 -9.523 -5.760 1.00 44.33 O ATOM 1158 CB ARG A 70 4.513 -6.659 -7.097 1.00 11.24 C ATOM 1159 CG ARG A 70 5.661 -5.902 -6.367 1.00 63.42 C ATOM 1160 CD ARG A 70 6.763 -6.815 -5.764 1.00 64.12 C ATOM 1161 NE ARG A 70 7.577 -6.092 -4.767 1.00 51.42 N ATOM 1162 CZ ARG A 70 8.057 -6.597 -3.648 1.00 65.51 C ATOM 1163 NH1 ARG A 70 8.000 -7.867 -3.399 1.00 31.41 N ATOM 1164 NH2 ARG A 70 8.614 -5.812 -2.785 1.00 20.30 N ATOM 0 H ARG A 70 3.203 -5.250 -5.451 1.00 62.15 H new ATOM 0 HA ARG A 70 2.604 -7.653 -6.854 1.00 32.05 H new ATOM 0 HB2 ARG A 70 4.951 -7.487 -7.655 1.00 11.24 H new ATOM 0 HB3 ARG A 70 4.069 -5.982 -7.827 1.00 11.24 H new ATOM 0 HG2 ARG A 70 6.126 -5.211 -7.070 1.00 63.42 H new ATOM 0 HG3 ARG A 70 5.229 -5.300 -5.567 1.00 63.42 H new ATOM 0 HD2 ARG A 70 6.301 -7.685 -5.297 1.00 64.12 H new ATOM 0 HD3 ARG A 70 7.407 -7.186 -6.562 1.00 64.12 H new ATOM 0 HE ARG A 70 7.787 -5.113 -4.962 1.00 51.42 H new ATOM 0 HH11 ARG A 70 7.576 -8.501 -4.076 1.00 31.41 H new ATOM 0 HH12 ARG A 70 8.379 -8.233 -2.525 1.00 31.41 H new ATOM 0 HH21 ARG A 70 8.679 -4.812 -2.973 1.00 20.30 H new ATOM 0 HH22 ARG A 70 8.988 -6.193 -1.916 1.00 20.30 H new ATOM 1178 N ARG A 71 4.105 -8.077 -3.997 1.00 5.34 N ATOM 1179 CA ARG A 71 4.476 -9.070 -2.961 1.00 52.32 C ATOM 1180 C ARG A 71 3.320 -10.099 -2.773 1.00 5.40 C ATOM 1181 O ARG A 71 3.565 -11.293 -2.561 1.00 53.40 O ATOM 1182 CB ARG A 71 4.828 -8.302 -1.640 1.00 2.11 C ATOM 1183 CG ARG A 71 5.535 -9.117 -0.511 1.00 23.15 C ATOM 1184 CD ARG A 71 4.586 -9.996 0.328 1.00 63.32 C ATOM 1185 NE ARG A 71 5.272 -10.659 1.451 1.00 64.01 N ATOM 1186 CZ ARG A 71 4.719 -11.521 2.283 1.00 14.52 C ATOM 1187 NH1 ARG A 71 3.489 -11.913 2.146 1.00 74.02 N ATOM 1188 NH2 ARG A 71 5.411 -11.991 3.266 1.00 73.35 N ATOM 0 H ARG A 71 4.050 -7.123 -3.640 1.00 5.34 H new ATOM 0 HA ARG A 71 5.354 -9.642 -3.263 1.00 52.32 H new ATOM 0 HB2 ARG A 71 5.467 -7.458 -1.899 1.00 2.11 H new ATOM 0 HB3 ARG A 71 3.905 -7.889 -1.232 1.00 2.11 H new ATOM 0 HG2 ARG A 71 6.297 -9.753 -0.961 1.00 23.15 H new ATOM 0 HG3 ARG A 71 6.051 -8.423 0.153 1.00 23.15 H new ATOM 0 HD2 ARG A 71 3.774 -9.380 0.715 1.00 63.32 H new ATOM 0 HD3 ARG A 71 4.134 -10.752 -0.314 1.00 63.32 H new ATOM 0 HE ARG A 71 6.256 -10.433 1.597 1.00 64.01 H new ATOM 0 HH11 ARG A 71 2.922 -11.553 1.378 1.00 74.02 H new ATOM 0 HH12 ARG A 71 3.090 -12.581 2.806 1.00 74.02 H new ATOM 0 HH21 ARG A 71 6.379 -11.696 3.396 1.00 73.35 H new ATOM 0 HH22 ARG A 71 4.990 -12.658 3.913 1.00 73.35 H new