USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=9 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 Set 1.1: A 58 ASN :FLIP amide:sc= 0 F(o=-0.84,f=-0.083) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0829 K(o=-0.083,f=-0.84) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0661 K(o=-0.14,f=-1.7) USER MOD Set 2.2: A 52 MET CE :methyl 164:sc= -0.07 (180deg=-0.414) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.144) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.144 F(o=-0.68,f=-0.14) USER MOD Single : A 51 MET CE :methyl 154:sc= -0.512 (180deg=-1.85) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0.138 (180deg=-0.114) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.417 -7.027 12.128 1.00 10.40 N ATOM 330 CA LEU A 21 7.786 -6.002 11.130 1.00 51.20 C ATOM 331 C LEU A 21 8.681 -6.616 10.038 1.00 74.45 C ATOM 332 O LEU A 21 9.904 -6.715 10.198 1.00 33.50 O ATOM 333 CB LEU A 21 8.493 -4.802 11.818 1.00 11.04 C ATOM 334 CG LEU A 21 7.598 -3.928 12.751 1.00 72.33 C ATOM 335 CD1 LEU A 21 8.443 -2.917 13.557 1.00 1.31 C ATOM 336 CD2 LEU A 21 6.487 -3.205 11.946 1.00 73.22 C ATOM 0 HA LEU A 21 6.876 -5.632 10.657 1.00 51.20 H new ATOM 0 HB2 LEU A 21 9.329 -5.185 12.403 1.00 11.04 H new ATOM 0 HB3 LEU A 21 8.913 -4.160 11.044 1.00 11.04 H new ATOM 0 HG LEU A 21 7.115 -4.598 13.462 1.00 72.33 H new ATOM 0 HD11 LEU A 21 7.789 -2.324 14.197 1.00 1.31 H new ATOM 0 HD12 LEU A 21 9.163 -3.455 14.174 1.00 1.31 H new ATOM 0 HD13 LEU A 21 8.974 -2.258 12.870 1.00 1.31 H new ATOM 0 HD21 LEU A 21 5.880 -2.604 12.623 1.00 73.22 H new ATOM 0 HD22 LEU A 21 6.943 -2.558 11.196 1.00 73.22 H new ATOM 0 HD23 LEU A 21 5.856 -3.944 11.452 1.00 73.22 H new ATOM 348 N THR A 22 8.044 -7.076 8.953 1.00 4.25 N ATOM 349 CA THR A 22 8.736 -7.637 7.775 1.00 52.11 C ATOM 350 C THR A 22 9.390 -6.527 6.918 1.00 12.03 C ATOM 351 O THR A 22 9.194 -5.335 7.179 1.00 5.24 O ATOM 352 CB THR A 22 7.749 -8.486 6.899 1.00 21.34 C ATOM 353 OG1 THR A 22 6.602 -7.705 6.567 1.00 4.50 O ATOM 354 CG2 THR A 22 7.288 -9.758 7.626 1.00 41.25 C ATOM 0 H THR A 22 7.028 -7.071 8.863 1.00 4.25 H new ATOM 0 HA THR A 22 9.528 -8.289 8.144 1.00 52.11 H new ATOM 0 HB THR A 22 8.285 -8.780 5.997 1.00 21.34 H new ATOM 0 HG1 THR A 22 5.990 -8.239 6.019 1.00 4.50 H new ATOM 0 HG21 THR A 22 6.606 -10.317 6.985 1.00 41.25 H new ATOM 0 HG22 THR A 22 8.154 -10.377 7.861 1.00 41.25 H new ATOM 0 HG23 THR A 22 6.776 -9.484 8.549 1.00 41.25 H new ATOM 362 N ARG A 23 10.159 -6.940 5.889 1.00 74.34 N ATOM 363 CA ARG A 23 10.930 -6.025 5.001 1.00 10.33 C ATOM 364 C ARG A 23 10.040 -4.887 4.410 1.00 44.02 C ATOM 365 O ARG A 23 10.419 -3.712 4.400 1.00 54.35 O ATOM 366 CB ARG A 23 11.564 -6.864 3.858 1.00 71.22 C ATOM 367 CG ARG A 23 12.654 -6.148 3.026 1.00 74.51 C ATOM 368 CD ARG A 23 13.985 -5.975 3.790 1.00 44.33 C ATOM 369 NE ARG A 23 15.072 -5.498 2.904 1.00 14.02 N ATOM 370 CZ ARG A 23 15.925 -4.536 3.181 1.00 2.31 C ATOM 371 NH1 ARG A 23 15.834 -3.844 4.270 1.00 51.33 N ATOM 372 NH2 ARG A 23 16.874 -4.268 2.347 1.00 51.54 N ATOM 0 H ARG A 23 10.268 -7.924 5.644 1.00 74.34 H new ATOM 0 HA ARG A 23 11.706 -5.540 5.593 1.00 10.33 H new ATOM 0 HB2 ARG A 23 11.997 -7.766 4.291 1.00 71.22 H new ATOM 0 HB3 ARG A 23 10.770 -7.184 3.184 1.00 71.22 H new ATOM 0 HG2 ARG A 23 12.837 -6.715 2.114 1.00 74.51 H new ATOM 0 HG3 ARG A 23 12.286 -5.168 2.723 1.00 74.51 H new ATOM 0 HD2 ARG A 23 13.845 -5.267 4.607 1.00 44.33 H new ATOM 0 HD3 ARG A 23 14.273 -6.926 4.238 1.00 44.33 H new ATOM 0 HE ARG A 23 15.168 -5.957 1.998 1.00 14.02 H new ATOM 0 HH11 ARG A 23 15.088 -4.039 4.937 1.00 51.33 H new ATOM 0 HH12 ARG A 23 16.508 -3.103 4.461 1.00 51.33 H new ATOM 0 HH21 ARG A 23 16.958 -4.801 1.481 1.00 51.54 H new ATOM 0 HH22 ARG A 23 17.540 -3.524 2.554 1.00 51.54 H new ATOM 386 N ASP A 24 8.844 -5.274 3.958 1.00 42.21 N ATOM 387 CA ASP A 24 7.813 -4.358 3.413 1.00 72.41 C ATOM 388 C ASP A 24 7.203 -3.425 4.506 1.00 73.41 C ATOM 389 O ASP A 24 6.994 -2.238 4.246 1.00 32.21 O ATOM 390 CB ASP A 24 6.713 -5.204 2.710 1.00 54.04 C ATOM 391 CG ASP A 24 6.262 -6.407 3.564 1.00 1.12 C ATOM 392 OD1 ASP A 24 5.390 -6.251 4.426 1.00 2.40 O ATOM 393 OD2 ASP A 24 6.837 -7.505 3.409 1.00 20.13 O ATOM 0 H ASP A 24 8.550 -6.251 3.956 1.00 42.21 H new ATOM 0 HA ASP A 24 8.286 -3.695 2.689 1.00 72.41 H new ATOM 0 HB2 ASP A 24 5.852 -4.570 2.496 1.00 54.04 H new ATOM 0 HB3 ASP A 24 7.091 -5.563 1.752 1.00 54.04 H new ATOM 398 N GLU A 25 6.924 -3.975 5.718 1.00 52.53 N ATOM 399 CA GLU A 25 6.383 -3.192 6.872 1.00 3.21 C ATOM 400 C GLU A 25 7.319 -2.018 7.265 1.00 1.40 C ATOM 401 O GLU A 25 6.855 -0.910 7.577 1.00 64.41 O ATOM 402 CB GLU A 25 6.148 -4.120 8.101 1.00 15.43 C ATOM 403 CG GLU A 25 5.063 -5.217 7.928 1.00 3.11 C ATOM 404 CD GLU A 25 3.593 -4.725 7.876 1.00 33.24 C ATOM 405 OE1 GLU A 25 3.306 -3.549 8.210 1.00 51.12 O ATOM 406 OE2 GLU A 25 2.703 -5.539 7.522 1.00 3.34 O ATOM 0 H GLU A 25 7.065 -4.964 5.926 1.00 52.53 H new ATOM 0 HA GLU A 25 5.430 -2.767 6.555 1.00 3.21 H new ATOM 0 HB2 GLU A 25 7.091 -4.606 8.350 1.00 15.43 H new ATOM 0 HB3 GLU A 25 5.875 -3.498 8.954 1.00 15.43 H new ATOM 0 HG2 GLU A 25 5.273 -5.765 7.010 1.00 3.11 H new ATOM 0 HG3 GLU A 25 5.158 -5.926 8.751 1.00 3.11 H new ATOM 413 N LEU A 26 8.632 -2.281 7.224 1.00 11.12 N ATOM 414 CA LEU A 26 9.680 -1.272 7.507 1.00 2.30 C ATOM 415 C LEU A 26 9.654 -0.110 6.473 1.00 53.41 C ATOM 416 O LEU A 26 9.822 1.060 6.835 1.00 33.01 O ATOM 417 CB LEU A 26 11.069 -1.961 7.491 1.00 75.23 C ATOM 418 CG LEU A 26 11.258 -3.135 8.507 1.00 31.21 C ATOM 419 CD1 LEU A 26 12.580 -3.899 8.260 1.00 25.24 C ATOM 420 CD2 LEU A 26 11.160 -2.641 9.972 1.00 4.13 C ATOM 0 H LEU A 26 9.006 -3.201 6.993 1.00 11.12 H new ATOM 0 HA LEU A 26 9.485 -0.843 8.490 1.00 2.30 H new ATOM 0 HB2 LEU A 26 11.253 -2.342 6.486 1.00 75.23 H new ATOM 0 HB3 LEU A 26 11.830 -1.207 7.691 1.00 75.23 H new ATOM 0 HG LEU A 26 10.441 -3.837 8.341 1.00 31.21 H new ATOM 0 HD11 LEU A 26 12.675 -4.707 8.986 1.00 25.24 H new ATOM 0 HD12 LEU A 26 12.577 -4.315 7.253 1.00 25.24 H new ATOM 0 HD13 LEU A 26 13.421 -3.214 8.367 1.00 25.24 H new ATOM 0 HD21 LEU A 26 11.296 -3.484 10.650 1.00 4.13 H new ATOM 0 HD22 LEU A 26 11.935 -1.897 10.158 1.00 4.13 H new ATOM 0 HD23 LEU A 26 10.180 -2.194 10.141 1.00 4.13 H new ATOM 432 N ARG A 27 9.426 -0.470 5.189 1.00 54.24 N ATOM 433 CA ARG A 27 9.385 0.498 4.065 1.00 21.15 C ATOM 434 C ARG A 27 8.115 1.384 4.097 1.00 75.01 C ATOM 435 O ARG A 27 8.170 2.570 3.741 1.00 15.32 O ATOM 436 CB ARG A 27 9.462 -0.243 2.703 1.00 4.22 C ATOM 437 CG ARG A 27 10.776 -1.018 2.464 1.00 25.55 C ATOM 438 CD ARG A 27 10.868 -1.606 1.045 1.00 53.44 C ATOM 439 NE ARG A 27 10.815 -0.556 0.009 1.00 53.40 N ATOM 440 CZ ARG A 27 11.077 -0.727 -1.269 1.00 44.22 C ATOM 441 NH1 ARG A 27 11.453 -1.872 -1.744 1.00 24.32 N ATOM 442 NH2 ARG A 27 10.971 0.278 -2.072 1.00 75.11 N ATOM 0 H ARG A 27 9.266 -1.436 4.902 1.00 54.24 H new ATOM 0 HA ARG A 27 10.252 1.149 4.181 1.00 21.15 H new ATOM 0 HB2 ARG A 27 8.627 -0.941 2.637 1.00 4.22 H new ATOM 0 HB3 ARG A 27 9.334 0.484 1.901 1.00 4.22 H new ATOM 0 HG2 ARG A 27 11.622 -0.352 2.632 1.00 25.55 H new ATOM 0 HG3 ARG A 27 10.855 -1.824 3.193 1.00 25.55 H new ATOM 0 HD2 ARG A 27 11.796 -2.168 0.945 1.00 53.44 H new ATOM 0 HD3 ARG A 27 10.051 -2.310 0.890 1.00 53.44 H new ATOM 0 HE ARG A 27 10.553 0.383 0.310 1.00 53.40 H new ATOM 0 HH11 ARG A 27 11.554 -2.674 -1.122 1.00 24.32 H new ATOM 0 HH12 ARG A 27 11.648 -1.972 -2.740 1.00 24.32 H new ATOM 0 HH21 ARG A 27 10.687 1.190 -1.713 1.00 75.11 H new ATOM 0 HH22 ARG A 27 11.171 0.160 -3.065 1.00 75.11 H new ATOM 456 N ALA A 28 6.974 0.793 4.502 1.00 2.14 N ATOM 457 CA ALA A 28 5.689 1.518 4.617 1.00 34.13 C ATOM 458 C ALA A 28 5.763 2.597 5.712 1.00 24.25 C ATOM 459 O ALA A 28 5.416 3.754 5.477 1.00 52.53 O ATOM 460 CB ALA A 28 4.536 0.542 4.889 1.00 44.43 C ATOM 0 H ALA A 28 6.914 -0.193 4.757 1.00 2.14 H new ATOM 0 HA ALA A 28 5.495 2.016 3.667 1.00 34.13 H new ATOM 0 HB1 ALA A 28 3.601 1.097 4.970 1.00 44.43 H new ATOM 0 HB2 ALA A 28 4.464 -0.173 4.070 1.00 44.43 H new ATOM 0 HB3 ALA A 28 4.723 0.009 5.821 1.00 44.43 H new ATOM 466 N LYS A 29 6.262 2.195 6.893 1.00 24.21 N ATOM 467 CA LYS A 29 6.474 3.109 8.036 1.00 2.04 C ATOM 468 C LYS A 29 7.530 4.206 7.699 1.00 1.30 C ATOM 469 O LYS A 29 7.466 5.321 8.224 1.00 64.21 O ATOM 470 CB LYS A 29 6.892 2.295 9.286 1.00 74.13 C ATOM 471 CG LYS A 29 6.983 3.121 10.593 1.00 4.30 C ATOM 472 CD LYS A 29 7.437 2.272 11.801 1.00 43.44 C ATOM 473 CE LYS A 29 7.600 3.103 13.087 1.00 54.33 C ATOM 474 NZ LYS A 29 8.169 2.302 14.205 1.00 63.03 N ATOM 0 H LYS A 29 6.530 1.230 7.085 1.00 24.21 H new ATOM 0 HA LYS A 29 5.536 3.623 8.249 1.00 2.04 H new ATOM 0 HB2 LYS A 29 6.177 1.486 9.432 1.00 74.13 H new ATOM 0 HB3 LYS A 29 7.861 1.833 9.095 1.00 74.13 H new ATOM 0 HG2 LYS A 29 7.682 3.945 10.450 1.00 4.30 H new ATOM 0 HG3 LYS A 29 6.010 3.562 10.809 1.00 4.30 H new ATOM 0 HD2 LYS A 29 6.710 1.479 11.976 1.00 43.44 H new ATOM 0 HD3 LYS A 29 8.385 1.788 11.564 1.00 43.44 H new ATOM 0 HE2 LYS A 29 8.248 3.956 12.887 1.00 54.33 H new ATOM 0 HE3 LYS A 29 6.631 3.502 13.385 1.00 54.33 H new ATOM 0 HZ1 LYS A 29 8.261 2.901 15.050 1.00 63.03 H new ATOM 0 HZ2 LYS A 29 7.538 1.502 14.415 1.00 63.03 H new ATOM 0 HZ3 LYS A 29 9.106 1.942 13.932 1.00 63.03 H new ATOM 488 N ALA A 30 8.473 3.884 6.789 1.00 10.21 N ATOM 489 CA ALA A 30 9.465 4.858 6.274 1.00 14.23 C ATOM 490 C ALA A 30 8.787 5.991 5.454 1.00 1.20 C ATOM 491 O ALA A 30 9.134 7.167 5.603 1.00 72.23 O ATOM 492 CB ALA A 30 10.538 4.138 5.439 1.00 2.02 C ATOM 0 H ALA A 30 8.570 2.950 6.392 1.00 10.21 H new ATOM 0 HA ALA A 30 9.948 5.327 7.131 1.00 14.23 H new ATOM 0 HB1 ALA A 30 11.259 4.866 5.068 1.00 2.02 H new ATOM 0 HB2 ALA A 30 11.051 3.404 6.060 1.00 2.02 H new ATOM 0 HB3 ALA A 30 10.065 3.633 4.596 1.00 2.02 H new ATOM 498 N LEU A 31 7.808 5.622 4.598 1.00 72.43 N ATOM 499 CA LEU A 31 6.989 6.600 3.822 1.00 44.12 C ATOM 500 C LEU A 31 5.792 7.163 4.644 1.00 45.24 C ATOM 501 O LEU A 31 5.083 8.054 4.159 1.00 74.43 O ATOM 502 CB LEU A 31 6.465 5.946 2.512 1.00 2.51 C ATOM 503 CG LEU A 31 7.540 5.589 1.435 1.00 62.34 C ATOM 504 CD1 LEU A 31 6.888 4.916 0.211 1.00 64.10 C ATOM 505 CD2 LEU A 31 8.348 6.841 1.002 1.00 21.12 C ATOM 0 H LEU A 31 7.559 4.649 4.421 1.00 72.43 H new ATOM 0 HA LEU A 31 7.643 7.438 3.581 1.00 44.12 H new ATOM 0 HB2 LEU A 31 5.930 5.034 2.776 1.00 2.51 H new ATOM 0 HB3 LEU A 31 5.739 6.622 2.059 1.00 2.51 H new ATOM 0 HG LEU A 31 8.236 4.883 1.888 1.00 62.34 H new ATOM 0 HD11 LEU A 31 7.656 4.677 -0.525 1.00 64.10 H new ATOM 0 HD12 LEU A 31 6.387 4.000 0.523 1.00 64.10 H new ATOM 0 HD13 LEU A 31 6.159 5.595 -0.232 1.00 64.10 H new ATOM 0 HD21 LEU A 31 9.086 6.556 0.252 1.00 21.12 H new ATOM 0 HD22 LEU A 31 7.670 7.583 0.580 1.00 21.12 H new ATOM 0 HD23 LEU A 31 8.856 7.264 1.869 1.00 21.12 H new ATOM 517 N HIS A 32 5.590 6.630 5.871 1.00 54.24 N ATOM 518 CA HIS A 32 4.473 7.001 6.779 1.00 73.25 C ATOM 519 C HIS A 32 3.092 6.668 6.131 1.00 43.52 C ATOM 520 O HIS A 32 2.179 7.500 6.079 1.00 24.41 O ATOM 521 CB HIS A 32 4.589 8.499 7.229 1.00 14.01 C ATOM 522 CG HIS A 32 3.689 8.903 8.387 1.00 13.12 C ATOM 523 ND1 HIS A 32 2.373 9.286 8.227 1.00 60.24 N ATOM 524 CD2 HIS A 32 3.930 9.000 9.719 1.00 73.43 C ATOM 525 CE1 HIS A 32 1.854 9.596 9.391 1.00 32.23 C ATOM 526 NE2 HIS A 32 2.774 9.432 10.313 1.00 22.31 N ATOM 0 H HIS A 32 6.206 5.920 6.267 1.00 54.24 H new ATOM 0 HA HIS A 32 4.545 6.398 7.684 1.00 73.25 H new ATOM 0 HB2 HIS A 32 5.624 8.698 7.508 1.00 14.01 H new ATOM 0 HB3 HIS A 32 4.361 9.136 6.374 1.00 14.01 H new ATOM 0 HD1 HIS A 32 1.878 9.323 7.336 1.00 60.24 H new ATOM 0 HD2 HIS A 32 4.861 8.778 10.218 1.00 73.43 H new ATOM 0 HE1 HIS A 32 0.841 9.930 9.562 1.00 32.23 H new ATOM 535 N ILE A 33 2.976 5.431 5.617 1.00 52.13 N ATOM 536 CA ILE A 33 1.710 4.882 5.082 1.00 72.13 C ATOM 537 C ILE A 33 0.726 4.612 6.260 1.00 60.12 C ATOM 538 O ILE A 33 1.100 3.937 7.221 1.00 71.34 O ATOM 539 CB ILE A 33 1.979 3.554 4.258 1.00 44.14 C ATOM 540 CG1 ILE A 33 2.966 3.821 3.068 1.00 31.42 C ATOM 541 CG2 ILE A 33 0.667 2.897 3.746 1.00 50.04 C ATOM 542 CD1 ILE A 33 2.479 4.828 2.033 1.00 42.03 C ATOM 0 H ILE A 33 3.758 4.779 5.559 1.00 52.13 H new ATOM 0 HA ILE A 33 1.263 5.608 4.403 1.00 72.13 H new ATOM 0 HB ILE A 33 2.444 2.847 4.945 1.00 44.14 H new ATOM 0 HG12 ILE A 33 3.914 4.173 3.475 1.00 31.42 H new ATOM 0 HG13 ILE A 33 3.167 2.875 2.565 1.00 31.42 H new ATOM 0 HG21 ILE A 33 0.907 1.992 3.188 1.00 50.04 H new ATOM 0 HG22 ILE A 33 0.032 2.643 4.595 1.00 50.04 H new ATOM 0 HG23 ILE A 33 0.140 3.595 3.095 1.00 50.04 H new ATOM 0 HD11 ILE A 33 3.232 4.942 1.253 1.00 42.03 H new ATOM 0 HD12 ILE A 33 1.549 4.473 1.590 1.00 42.03 H new ATOM 0 HD13 ILE A 33 2.307 5.791 2.515 1.00 42.03 H new ATOM 554 N PRO A 34 -0.545 5.153 6.215 1.00 55.45 N ATOM 555 CA PRO A 34 -1.521 5.050 7.351 1.00 24.20 C ATOM 556 C PRO A 34 -1.989 3.608 7.684 1.00 64.44 C ATOM 557 O PRO A 34 -2.648 3.389 8.708 1.00 61.53 O ATOM 558 CB PRO A 34 -2.723 5.928 6.876 1.00 42.33 C ATOM 559 CG PRO A 34 -2.169 6.785 5.773 1.00 23.14 C ATOM 560 CD PRO A 34 -1.126 5.931 5.090 1.00 23.21 C ATOM 0 HA PRO A 34 -1.058 5.378 8.282 1.00 24.20 H new ATOM 0 HB2 PRO A 34 -3.546 5.309 6.519 1.00 42.33 H new ATOM 0 HB3 PRO A 34 -3.113 6.538 7.691 1.00 42.33 H new ATOM 0 HG2 PRO A 34 -2.952 7.083 5.075 1.00 23.14 H new ATOM 0 HG3 PRO A 34 -1.730 7.701 6.169 1.00 23.14 H new ATOM 0 HD2 PRO A 34 -1.568 5.281 4.335 1.00 23.21 H new ATOM 0 HD3 PRO A 34 -0.373 6.538 4.587 1.00 23.21 H new ATOM 568 N PHE A 35 -1.657 2.638 6.813 1.00 14.54 N ATOM 569 CA PHE A 35 -2.119 1.235 6.936 1.00 43.20 C ATOM 570 C PHE A 35 -0.941 0.282 7.265 1.00 3.44 C ATOM 571 O PHE A 35 0.205 0.559 6.883 1.00 1.14 O ATOM 572 CB PHE A 35 -2.776 0.755 5.605 1.00 44.05 C ATOM 573 CG PHE A 35 -3.582 1.823 4.881 1.00 43.01 C ATOM 574 CD1 PHE A 35 -4.854 2.185 5.317 1.00 12.41 C ATOM 575 CD2 PHE A 35 -3.046 2.487 3.776 1.00 15.24 C ATOM 576 CE1 PHE A 35 -5.564 3.169 4.667 1.00 52.43 C ATOM 577 CE2 PHE A 35 -3.755 3.470 3.133 1.00 21.52 C ATOM 578 CZ PHE A 35 -5.013 3.812 3.577 1.00 11.51 C ATOM 0 H PHE A 35 -1.060 2.800 6.002 1.00 14.54 H new ATOM 0 HA PHE A 35 -2.847 1.208 7.747 1.00 43.20 H new ATOM 0 HB2 PHE A 35 -1.994 0.393 4.938 1.00 44.05 H new ATOM 0 HB3 PHE A 35 -3.428 -0.091 5.821 1.00 44.05 H new ATOM 0 HD1 PHE A 35 -5.287 1.689 6.173 1.00 12.41 H new ATOM 0 HD2 PHE A 35 -2.060 2.223 3.423 1.00 15.24 H new ATOM 0 HE1 PHE A 35 -6.552 3.438 5.010 1.00 52.43 H new ATOM 0 HE2 PHE A 35 -3.327 3.975 2.280 1.00 21.52 H new ATOM 0 HZ PHE A 35 -5.570 4.586 3.071 1.00 11.51 H new ATOM 588 N PRO A 36 -1.207 -0.865 7.966 1.00 30.14 N ATOM 589 CA PRO A 36 -0.290 -2.032 7.942 1.00 31.22 C ATOM 590 C PRO A 36 -0.247 -2.643 6.516 1.00 33.21 C ATOM 591 O PRO A 36 -1.276 -2.674 5.833 1.00 51.11 O ATOM 592 CB PRO A 36 -0.923 -3.016 8.970 1.00 42.05 C ATOM 593 CG PRO A 36 -1.830 -2.158 9.811 1.00 2.05 C ATOM 594 CD PRO A 36 -2.364 -1.102 8.868 1.00 12.34 C ATOM 0 HA PRO A 36 0.741 -1.784 8.193 1.00 31.22 H new ATOM 0 HB2 PRO A 36 -1.479 -3.808 8.469 1.00 42.05 H new ATOM 0 HB3 PRO A 36 -0.158 -3.499 9.578 1.00 42.05 H new ATOM 0 HG2 PRO A 36 -2.640 -2.746 10.243 1.00 2.05 H new ATOM 0 HG3 PRO A 36 -1.287 -1.706 10.641 1.00 2.05 H new ATOM 0 HD2 PRO A 36 -3.240 -1.451 8.322 1.00 12.34 H new ATOM 0 HD3 PRO A 36 -2.659 -0.196 9.398 1.00 12.34 H new ATOM 602 N VAL A 37 0.927 -3.130 6.077 1.00 34.14 N ATOM 603 CA VAL A 37 1.135 -3.607 4.683 1.00 54.23 C ATOM 604 C VAL A 37 0.176 -4.763 4.285 1.00 21.13 C ATOM 605 O VAL A 37 -0.247 -4.847 3.123 1.00 12.23 O ATOM 606 CB VAL A 37 2.629 -4.030 4.466 1.00 63.13 C ATOM 607 CG1 VAL A 37 2.863 -4.713 3.109 1.00 20.42 C ATOM 608 CG2 VAL A 37 3.564 -2.817 4.629 1.00 31.25 C ATOM 0 H VAL A 37 1.756 -3.207 6.666 1.00 34.14 H new ATOM 0 HA VAL A 37 0.898 -2.769 4.027 1.00 54.23 H new ATOM 0 HB VAL A 37 2.862 -4.767 5.234 1.00 63.13 H new ATOM 0 HG11 VAL A 37 3.915 -4.984 3.014 1.00 20.42 H new ATOM 0 HG12 VAL A 37 2.250 -5.612 3.043 1.00 20.42 H new ATOM 0 HG13 VAL A 37 2.591 -4.029 2.305 1.00 20.42 H new ATOM 0 HG21 VAL A 37 4.597 -3.130 4.475 1.00 31.25 H new ATOM 0 HG22 VAL A 37 3.303 -2.055 3.895 1.00 31.25 H new ATOM 0 HG23 VAL A 37 3.456 -2.406 5.633 1.00 31.25 H new ATOM 618 N GLU A 38 -0.185 -5.620 5.259 1.00 1.02 N ATOM 619 CA GLU A 38 -1.158 -6.718 5.046 1.00 24.23 C ATOM 620 C GLU A 38 -2.502 -6.210 4.446 1.00 74.41 C ATOM 621 O GLU A 38 -3.096 -6.902 3.631 1.00 43.45 O ATOM 622 CB GLU A 38 -1.404 -7.494 6.363 1.00 51.30 C ATOM 623 CG GLU A 38 -0.140 -8.181 6.936 1.00 31.21 C ATOM 624 CD GLU A 38 -0.425 -9.135 8.112 1.00 14.54 C ATOM 625 OE1 GLU A 38 -0.488 -8.673 9.274 1.00 55.53 O ATOM 626 OE2 GLU A 38 -0.590 -10.357 7.877 1.00 72.24 O ATOM 0 H GLU A 38 0.184 -5.575 6.209 1.00 1.02 H new ATOM 0 HA GLU A 38 -0.719 -7.397 4.315 1.00 24.23 H new ATOM 0 HB2 GLU A 38 -1.801 -6.806 7.109 1.00 51.30 H new ATOM 0 HB3 GLU A 38 -2.169 -8.251 6.189 1.00 51.30 H new ATOM 0 HG2 GLU A 38 0.351 -8.740 6.139 1.00 31.21 H new ATOM 0 HG3 GLU A 38 0.561 -7.414 7.265 1.00 31.21 H new ATOM 633 N LYS A 39 -2.942 -4.989 4.839 1.00 20.13 N ATOM 634 CA LYS A 39 -4.115 -4.301 4.218 1.00 24.05 C ATOM 635 C LYS A 39 -3.950 -4.146 2.687 1.00 30.05 C ATOM 636 O LYS A 39 -4.827 -4.549 1.925 1.00 13.12 O ATOM 637 CB LYS A 39 -4.349 -2.899 4.873 1.00 1.13 C ATOM 638 CG LYS A 39 -5.196 -2.936 6.159 1.00 74.20 C ATOM 639 CD LYS A 39 -6.669 -3.311 5.855 1.00 32.22 C ATOM 640 CE LYS A 39 -7.517 -3.477 7.118 1.00 21.00 C ATOM 641 NZ LYS A 39 -7.028 -4.590 7.971 1.00 34.50 N ATOM 0 H LYS A 39 -2.503 -4.453 5.587 1.00 20.13 H new ATOM 0 HA LYS A 39 -4.986 -4.930 4.400 1.00 24.05 H new ATOM 0 HB2 LYS A 39 -3.382 -2.451 5.101 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -4.838 -2.249 4.148 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -4.771 -3.659 6.856 1.00 74.20 H new ATOM 0 HG3 LYS A 39 -5.160 -1.963 6.648 1.00 74.20 H new ATOM 0 HD2 LYS A 39 -7.112 -2.539 5.226 1.00 32.22 H new ATOM 0 HD3 LYS A 39 -6.691 -4.239 5.284 1.00 32.22 H new ATOM 0 HE2 LYS A 39 -7.503 -2.549 7.689 1.00 21.00 H new ATOM 0 HE3 LYS A 39 -8.554 -3.663 6.837 1.00 21.00 H new ATOM 0 HZ1 LYS A 39 -7.735 -4.803 8.703 1.00 34.50 H new ATOM 0 HZ2 LYS A 39 -6.872 -5.434 7.384 1.00 34.50 H new ATOM 0 HZ3 LYS A 39 -6.134 -4.313 8.424 1.00 34.50 H new ATOM 655 N ILE A 40 -2.796 -3.599 2.269 1.00 51.31 N ATOM 656 CA ILE A 40 -2.472 -3.358 0.843 1.00 21.34 C ATOM 657 C ILE A 40 -2.415 -4.708 0.056 1.00 31.22 C ATOM 658 O ILE A 40 -2.863 -4.790 -1.092 1.00 72.55 O ATOM 659 CB ILE A 40 -1.107 -2.548 0.684 1.00 21.23 C ATOM 660 CG1 ILE A 40 -1.202 -1.080 1.245 1.00 63.51 C ATOM 661 CG2 ILE A 40 -0.629 -2.498 -0.780 1.00 44.13 C ATOM 662 CD1 ILE A 40 -1.200 -0.946 2.759 1.00 41.51 C ATOM 0 H ILE A 40 -2.056 -3.309 2.908 1.00 51.31 H new ATOM 0 HA ILE A 40 -3.268 -2.746 0.419 1.00 21.34 H new ATOM 0 HB ILE A 40 -0.378 -3.098 1.279 1.00 21.23 H new ATOM 0 HG12 ILE A 40 -0.365 -0.505 0.848 1.00 63.51 H new ATOM 0 HG13 ILE A 40 -2.114 -0.623 0.860 1.00 63.51 H new ATOM 0 HG21 ILE A 40 0.303 -1.937 -0.839 1.00 44.13 H new ATOM 0 HG22 ILE A 40 -0.466 -3.512 -1.144 1.00 44.13 H new ATOM 0 HG23 ILE A 40 -1.386 -2.010 -1.393 1.00 44.13 H new ATOM 0 HD11 ILE A 40 -1.269 0.107 3.031 1.00 41.51 H new ATOM 0 HD12 ILE A 40 -2.052 -1.484 3.173 1.00 41.51 H new ATOM 0 HD13 ILE A 40 -0.277 -1.365 3.160 1.00 41.51 H new ATOM 674 N ILE A 41 -1.886 -5.759 0.719 1.00 21.10 N ATOM 675 CA ILE A 41 -1.818 -7.136 0.168 1.00 40.44 C ATOM 676 C ILE A 41 -3.237 -7.760 -0.021 1.00 64.05 C ATOM 677 O ILE A 41 -3.504 -8.432 -1.031 1.00 63.50 O ATOM 678 CB ILE A 41 -0.949 -8.067 1.108 1.00 30.10 C ATOM 679 CG1 ILE A 41 0.524 -7.544 1.193 1.00 15.15 C ATOM 680 CG2 ILE A 41 -0.988 -9.551 0.654 1.00 41.10 C ATOM 681 CD1 ILE A 41 1.436 -8.309 2.148 1.00 61.50 C ATOM 0 H ILE A 41 -1.491 -5.679 1.656 1.00 21.10 H new ATOM 0 HA ILE A 41 -1.347 -7.066 -0.812 1.00 40.44 H new ATOM 0 HB ILE A 41 -1.388 -8.027 2.105 1.00 30.10 H new ATOM 0 HG12 ILE A 41 0.961 -7.577 0.195 1.00 15.15 H new ATOM 0 HG13 ILE A 41 0.503 -6.498 1.497 1.00 15.15 H new ATOM 0 HG21 ILE A 41 -0.378 -10.154 1.327 1.00 41.10 H new ATOM 0 HG22 ILE A 41 -2.017 -9.911 0.676 1.00 41.10 H new ATOM 0 HG23 ILE A 41 -0.597 -9.632 -0.360 1.00 41.10 H new ATOM 0 HD11 ILE A 41 2.432 -7.867 2.132 1.00 61.50 H new ATOM 0 HD12 ILE A 41 1.031 -8.256 3.159 1.00 61.50 H new ATOM 0 HD13 ILE A 41 1.497 -9.352 1.836 1.00 61.50 H new ATOM 693 N ASN A 42 -4.138 -7.525 0.956 1.00 35.41 N ATOM 694 CA ASN A 42 -5.494 -8.129 0.967 1.00 62.32 C ATOM 695 C ASN A 42 -6.459 -7.436 -0.025 1.00 61.24 C ATOM 696 O ASN A 42 -7.436 -8.051 -0.459 1.00 41.45 O ATOM 697 CB ASN A 42 -6.109 -8.092 2.396 1.00 63.33 C ATOM 698 CG ASN A 42 -5.322 -8.886 3.454 1.00 13.53 C ATOM 699 OD1 ASN A 42 -4.615 -9.930 3.061 1.00 11.02 O flip ATOM 700 ND2 ASN A 42 -5.348 -8.552 4.634 1.00 31.30 N flip ATOM 0 H ASN A 42 -3.952 -6.918 1.754 1.00 35.41 H new ATOM 0 HA ASN A 42 -5.370 -9.164 0.649 1.00 62.32 H new ATOM 0 HB2 ASN A 42 -6.181 -7.054 2.719 1.00 63.33 H new ATOM 0 HB3 ASN A 42 -7.126 -8.482 2.350 1.00 63.33 H new ATOM 0 HD21 ASN A 42 -5.898 -7.743 4.923 1.00 31.30 H new ATOM 0 HD22 ASN A 42 -4.819 -9.083 5.326 1.00 31.30 H new ATOM 707 N LEU A 43 -6.187 -6.161 -0.353 1.00 44.14 N ATOM 708 CA LEU A 43 -7.034 -5.358 -1.268 1.00 71.32 C ATOM 709 C LEU A 43 -6.595 -5.530 -2.761 1.00 30.54 C ATOM 710 O LEU A 43 -5.525 -5.040 -3.158 1.00 50.13 O ATOM 711 CB LEU A 43 -6.987 -3.855 -0.848 1.00 64.42 C ATOM 712 CG LEU A 43 -7.519 -3.513 0.586 1.00 50.33 C ATOM 713 CD1 LEU A 43 -7.383 -2.003 0.893 1.00 53.34 C ATOM 714 CD2 LEU A 43 -8.976 -3.997 0.795 1.00 30.13 C ATOM 0 H LEU A 43 -5.377 -5.654 0.005 1.00 44.14 H new ATOM 0 HA LEU A 43 -8.059 -5.720 -1.189 1.00 71.32 H new ATOM 0 HB2 LEU A 43 -5.955 -3.513 -0.919 1.00 64.42 H new ATOM 0 HB3 LEU A 43 -7.564 -3.280 -1.572 1.00 64.42 H new ATOM 0 HG LEU A 43 -6.894 -4.056 1.295 1.00 50.33 H new ATOM 0 HD11 LEU A 43 -7.761 -1.800 1.895 1.00 53.34 H new ATOM 0 HD12 LEU A 43 -6.334 -1.713 0.835 1.00 53.34 H new ATOM 0 HD13 LEU A 43 -7.958 -1.431 0.165 1.00 53.34 H new ATOM 0 HD21 LEU A 43 -9.304 -3.739 1.802 1.00 30.13 H new ATOM 0 HD22 LEU A 43 -9.628 -3.515 0.066 1.00 30.13 H new ATOM 0 HD23 LEU A 43 -9.023 -5.078 0.664 1.00 30.13 H new ATOM 726 N PRO A 44 -7.412 -6.251 -3.619 1.00 3.24 N ATOM 727 CA PRO A 44 -7.173 -6.336 -5.087 1.00 12.51 C ATOM 728 C PRO A 44 -7.556 -5.019 -5.820 1.00 43.31 C ATOM 729 O PRO A 44 -7.870 -4.030 -5.174 1.00 4.12 O ATOM 730 CB PRO A 44 -8.071 -7.537 -5.544 1.00 4.11 C ATOM 731 CG PRO A 44 -8.591 -8.154 -4.273 1.00 11.15 C ATOM 732 CD PRO A 44 -8.595 -7.052 -3.243 1.00 55.54 C ATOM 0 HA PRO A 44 -6.120 -6.484 -5.326 1.00 12.51 H new ATOM 0 HB2 PRO A 44 -8.889 -7.197 -6.179 1.00 4.11 H new ATOM 0 HB3 PRO A 44 -7.496 -8.259 -6.125 1.00 4.11 H new ATOM 0 HG2 PRO A 44 -9.594 -8.556 -4.417 1.00 11.15 H new ATOM 0 HG3 PRO A 44 -7.958 -8.982 -3.955 1.00 11.15 H new ATOM 0 HD2 PRO A 44 -9.512 -6.464 -3.283 1.00 55.54 H new ATOM 0 HD3 PRO A 44 -8.513 -7.445 -2.230 1.00 55.54 H new ATOM 740 N VAL A 45 -7.540 -5.031 -7.171 1.00 63.04 N ATOM 741 CA VAL A 45 -7.815 -3.825 -8.007 1.00 70.15 C ATOM 742 C VAL A 45 -9.157 -3.128 -7.656 1.00 42.33 C ATOM 743 O VAL A 45 -9.157 -1.950 -7.287 1.00 34.41 O ATOM 744 CB VAL A 45 -7.733 -4.177 -9.545 1.00 40.51 C ATOM 745 CG1 VAL A 45 -8.225 -3.019 -10.454 1.00 60.01 C ATOM 746 CG2 VAL A 45 -6.283 -4.578 -9.916 1.00 60.40 C ATOM 0 H VAL A 45 -7.338 -5.868 -7.717 1.00 63.04 H new ATOM 0 HA VAL A 45 -7.034 -3.102 -7.774 1.00 70.15 H new ATOM 0 HB VAL A 45 -8.404 -5.018 -9.721 1.00 40.51 H new ATOM 0 HG11 VAL A 45 -8.146 -3.318 -11.499 1.00 60.01 H new ATOM 0 HG12 VAL A 45 -9.265 -2.789 -10.220 1.00 60.01 H new ATOM 0 HG13 VAL A 45 -7.611 -2.135 -10.282 1.00 60.01 H new ATOM 0 HG21 VAL A 45 -6.233 -4.820 -10.978 1.00 60.40 H new ATOM 0 HG22 VAL A 45 -5.610 -3.748 -9.700 1.00 60.40 H new ATOM 0 HG23 VAL A 45 -5.985 -5.448 -9.331 1.00 60.40 H new ATOM 756 N VAL A 46 -10.269 -3.874 -7.720 1.00 24.14 N ATOM 757 CA VAL A 46 -11.624 -3.325 -7.459 1.00 11.11 C ATOM 758 C VAL A 46 -11.739 -2.715 -6.032 1.00 3.43 C ATOM 759 O VAL A 46 -12.115 -1.549 -5.864 1.00 0.42 O ATOM 760 CB VAL A 46 -12.728 -4.437 -7.648 1.00 12.14 C ATOM 761 CG1 VAL A 46 -14.152 -3.882 -7.412 1.00 53.33 C ATOM 762 CG2 VAL A 46 -12.623 -5.104 -9.041 1.00 43.52 C ATOM 0 H VAL A 46 -10.265 -4.867 -7.951 1.00 24.14 H new ATOM 0 HA VAL A 46 -11.786 -2.528 -8.185 1.00 11.11 H new ATOM 0 HB VAL A 46 -12.543 -5.200 -6.891 1.00 12.14 H new ATOM 0 HG11 VAL A 46 -14.881 -4.680 -7.552 1.00 53.33 H new ATOM 0 HG12 VAL A 46 -14.228 -3.495 -6.396 1.00 53.33 H new ATOM 0 HG13 VAL A 46 -14.352 -3.079 -8.122 1.00 53.33 H new ATOM 0 HG21 VAL A 46 -13.397 -5.865 -9.139 1.00 43.52 H new ATOM 0 HG22 VAL A 46 -12.755 -4.350 -9.817 1.00 43.52 H new ATOM 0 HG23 VAL A 46 -11.643 -5.568 -9.149 1.00 43.52 H new ATOM 772 N ASP A 47 -11.367 -3.517 -5.024 1.00 62.10 N ATOM 773 CA ASP A 47 -11.506 -3.156 -3.596 1.00 2.04 C ATOM 774 C ASP A 47 -10.565 -1.994 -3.169 1.00 50.34 C ATOM 775 O ASP A 47 -10.968 -1.123 -2.389 1.00 72.13 O ATOM 776 CB ASP A 47 -11.244 -4.405 -2.726 1.00 33.12 C ATOM 777 CG ASP A 47 -12.178 -5.577 -3.079 1.00 22.50 C ATOM 778 OD1 ASP A 47 -11.878 -6.323 -4.035 1.00 63.04 O ATOM 779 OD2 ASP A 47 -13.225 -5.742 -2.414 1.00 53.53 O ATOM 0 H ASP A 47 -10.959 -4.440 -5.172 1.00 62.10 H new ATOM 0 HA ASP A 47 -12.525 -2.798 -3.447 1.00 2.04 H new ATOM 0 HB2 ASP A 47 -10.208 -4.720 -2.851 1.00 33.12 H new ATOM 0 HB3 ASP A 47 -11.373 -4.145 -1.675 1.00 33.12 H new ATOM 784 N PHE A 48 -9.323 -1.988 -3.692 1.00 55.14 N ATOM 785 CA PHE A 48 -8.288 -0.994 -3.312 1.00 52.31 C ATOM 786 C PHE A 48 -8.586 0.413 -3.885 1.00 2.45 C ATOM 787 O PHE A 48 -8.426 1.428 -3.180 1.00 11.03 O ATOM 788 CB PHE A 48 -6.874 -1.461 -3.758 1.00 23.11 C ATOM 789 CG PHE A 48 -5.776 -0.470 -3.385 1.00 41.13 C ATOM 790 CD1 PHE A 48 -5.487 -0.227 -2.042 1.00 5.22 C ATOM 791 CD2 PHE A 48 -5.096 0.269 -4.358 1.00 54.24 C ATOM 792 CE1 PHE A 48 -4.549 0.709 -1.678 1.00 12.23 C ATOM 793 CE2 PHE A 48 -4.162 1.217 -3.991 1.00 24.02 C ATOM 794 CZ PHE A 48 -3.890 1.435 -2.649 1.00 21.43 C ATOM 0 H PHE A 48 -9.006 -2.665 -4.386 1.00 55.14 H new ATOM 0 HA PHE A 48 -8.312 -0.921 -2.225 1.00 52.31 H new ATOM 0 HB2 PHE A 48 -6.655 -2.426 -3.302 1.00 23.11 H new ATOM 0 HB3 PHE A 48 -6.870 -1.610 -4.838 1.00 23.11 H new ATOM 0 HD1 PHE A 48 -6.008 -0.783 -1.277 1.00 5.22 H new ATOM 0 HD2 PHE A 48 -5.303 0.097 -5.404 1.00 54.24 H new ATOM 0 HE1 PHE A 48 -4.328 0.876 -0.634 1.00 12.23 H new ATOM 0 HE2 PHE A 48 -3.644 1.788 -4.748 1.00 24.02 H new ATOM 0 HZ PHE A 48 -3.159 2.176 -2.362 1.00 21.43 H new ATOM 804 N ASN A 49 -9.005 0.457 -5.165 1.00 22.22 N ATOM 805 CA ASN A 49 -9.302 1.720 -5.886 1.00 13.33 C ATOM 806 C ASN A 49 -10.358 2.596 -5.161 1.00 45.34 C ATOM 807 O ASN A 49 -10.354 3.815 -5.324 1.00 53.51 O ATOM 808 CB ASN A 49 -9.729 1.431 -7.354 1.00 52.12 C ATOM 809 CG ASN A 49 -8.582 0.899 -8.229 1.00 43.53 C ATOM 810 OD1 ASN A 49 -7.404 1.132 -7.961 1.00 14.40 O ATOM 811 ND2 ASN A 49 -8.917 0.200 -9.296 1.00 1.30 N ATOM 0 H ASN A 49 -9.148 -0.379 -5.732 1.00 22.22 H new ATOM 0 HA ASN A 49 -8.378 2.298 -5.898 1.00 13.33 H new ATOM 0 HB2 ASN A 49 -10.542 0.705 -7.352 1.00 52.12 H new ATOM 0 HB3 ASN A 49 -10.120 2.346 -7.798 1.00 52.12 H new ATOM 0 HD21 ASN A 49 -8.193 -0.159 -9.918 1.00 1.30 H new ATOM 0 HD22 ASN A 49 -9.900 0.019 -9.499 1.00 1.30 H new ATOM 818 N GLU A 50 -11.253 1.954 -4.373 1.00 73.02 N ATOM 819 CA GLU A 50 -12.243 2.653 -3.517 1.00 35.35 C ATOM 820 C GLU A 50 -11.566 3.654 -2.528 1.00 61.30 C ATOM 821 O GLU A 50 -11.974 4.817 -2.440 1.00 51.32 O ATOM 822 CB GLU A 50 -13.062 1.610 -2.708 1.00 1.25 C ATOM 823 CG GLU A 50 -14.083 2.211 -1.711 1.00 40.41 C ATOM 824 CD GLU A 50 -14.672 1.185 -0.726 1.00 74.53 C ATOM 825 OE1 GLU A 50 -13.894 0.550 0.017 1.00 25.42 O ATOM 826 OE2 GLU A 50 -15.912 1.035 -0.658 1.00 11.35 O ATOM 0 H GLU A 50 -11.310 0.937 -4.312 1.00 73.02 H new ATOM 0 HA GLU A 50 -12.897 3.225 -4.175 1.00 35.35 H new ATOM 0 HB2 GLU A 50 -13.596 0.967 -3.408 1.00 1.25 H new ATOM 0 HB3 GLU A 50 -12.369 0.975 -2.156 1.00 1.25 H new ATOM 0 HG2 GLU A 50 -13.598 3.006 -1.145 1.00 40.41 H new ATOM 0 HG3 GLU A 50 -14.897 2.670 -2.272 1.00 40.41 H new ATOM 833 N MET A 51 -10.518 3.185 -1.815 1.00 14.50 N ATOM 834 CA MET A 51 -9.805 3.989 -0.785 1.00 3.02 C ATOM 835 C MET A 51 -8.972 5.127 -1.424 1.00 13.11 C ATOM 836 O MET A 51 -8.976 6.270 -0.944 1.00 33.35 O ATOM 837 CB MET A 51 -8.891 3.065 0.062 1.00 14.42 C ATOM 838 CG MET A 51 -8.126 3.780 1.190 1.00 45.54 C ATOM 839 SD MET A 51 -9.235 4.618 2.346 1.00 34.34 S ATOM 840 CE MET A 51 -8.077 5.528 3.369 1.00 10.21 C ATOM 0 H MET A 51 -10.141 2.245 -1.933 1.00 14.50 H new ATOM 0 HA MET A 51 -10.553 4.451 -0.141 1.00 3.02 H new ATOM 0 HB2 MET A 51 -9.501 2.274 0.499 1.00 14.42 H new ATOM 0 HB3 MET A 51 -8.171 2.583 -0.599 1.00 14.42 H new ATOM 0 HG2 MET A 51 -7.520 3.054 1.732 1.00 45.54 H new ATOM 0 HG3 MET A 51 -7.440 4.507 0.756 1.00 45.54 H new ATOM 0 HE1 MET A 51 -8.573 6.403 3.789 1.00 10.21 H new ATOM 0 HE2 MET A 51 -7.725 4.888 4.178 1.00 10.21 H new ATOM 0 HE3 MET A 51 -7.229 5.847 2.763 1.00 10.21 H new ATOM 850 N MET A 52 -8.271 4.787 -2.516 1.00 20.25 N ATOM 851 CA MET A 52 -7.431 5.738 -3.281 1.00 72.01 C ATOM 852 C MET A 52 -8.287 6.851 -3.951 1.00 20.31 C ATOM 853 O MET A 52 -7.833 7.990 -4.112 1.00 13.42 O ATOM 854 CB MET A 52 -6.612 4.942 -4.335 1.00 73.01 C ATOM 855 CG MET A 52 -5.579 5.760 -5.129 1.00 41.23 C ATOM 856 SD MET A 52 -4.649 4.746 -6.309 1.00 43.02 S ATOM 857 CE MET A 52 -5.940 4.172 -7.424 1.00 73.41 C ATOM 0 H MET A 52 -8.267 3.842 -2.900 1.00 20.25 H new ATOM 0 HA MET A 52 -6.750 6.244 -2.597 1.00 72.01 H new ATOM 0 HB2 MET A 52 -6.093 4.129 -3.827 1.00 73.01 H new ATOM 0 HB3 MET A 52 -7.307 4.485 -5.040 1.00 73.01 H new ATOM 0 HG2 MET A 52 -6.089 6.560 -5.665 1.00 41.23 H new ATOM 0 HG3 MET A 52 -4.884 6.233 -4.435 1.00 41.23 H new ATOM 0 HE1 MET A 52 -5.487 3.787 -8.338 1.00 73.41 H new ATOM 0 HE2 MET A 52 -6.512 3.380 -6.941 1.00 73.41 H new ATOM 0 HE3 MET A 52 -6.604 5.001 -7.670 1.00 73.41 H new ATOM 867 N SER A 53 -9.531 6.493 -4.330 1.00 73.54 N ATOM 868 CA SER A 53 -10.531 7.448 -4.877 1.00 35.43 C ATOM 869 C SER A 53 -11.047 8.398 -3.778 1.00 3.31 C ATOM 870 O SER A 53 -11.222 9.604 -3.997 1.00 54.12 O ATOM 871 CB SER A 53 -11.743 6.678 -5.452 1.00 43.44 C ATOM 872 OG SER A 53 -12.629 7.535 -6.158 1.00 3.43 O ATOM 0 H SER A 53 -9.876 5.535 -4.268 1.00 73.54 H new ATOM 0 HA SER A 53 -10.039 8.026 -5.659 1.00 35.43 H new ATOM 0 HB2 SER A 53 -11.390 5.892 -6.119 1.00 43.44 H new ATOM 0 HB3 SER A 53 -12.281 6.189 -4.640 1.00 43.44 H new ATOM 0 HG SER A 53 -13.381 7.012 -6.507 1.00 3.43 H new ATOM 878 N LYS A 54 -11.283 7.804 -2.597 1.00 64.32 N ATOM 879 CA LYS A 54 -11.935 8.458 -1.454 1.00 30.31 C ATOM 880 C LYS A 54 -11.083 9.632 -0.903 1.00 54.14 C ATOM 881 O LYS A 54 -11.592 10.738 -0.683 1.00 32.35 O ATOM 882 CB LYS A 54 -12.210 7.378 -0.380 1.00 61.45 C ATOM 883 CG LYS A 54 -13.106 7.836 0.774 1.00 0.13 C ATOM 884 CD LYS A 54 -13.346 6.719 1.819 1.00 14.14 C ATOM 885 CE LYS A 54 -13.972 7.252 3.115 1.00 65.22 C ATOM 886 NZ LYS A 54 -13.062 8.191 3.826 1.00 34.25 N ATOM 0 H LYS A 54 -11.020 6.837 -2.408 1.00 64.32 H new ATOM 0 HA LYS A 54 -12.878 8.905 -1.768 1.00 30.31 H new ATOM 0 HB2 LYS A 54 -12.673 6.516 -0.861 1.00 61.45 H new ATOM 0 HB3 LYS A 54 -11.257 7.041 0.029 1.00 61.45 H new ATOM 0 HG2 LYS A 54 -12.650 8.696 1.265 1.00 0.13 H new ATOM 0 HG3 LYS A 54 -14.065 8.168 0.375 1.00 0.13 H new ATOM 0 HD2 LYS A 54 -13.999 5.959 1.390 1.00 14.14 H new ATOM 0 HD3 LYS A 54 -12.398 6.232 2.050 1.00 14.14 H new ATOM 0 HE2 LYS A 54 -14.909 7.759 2.884 1.00 65.22 H new ATOM 0 HE3 LYS A 54 -14.216 6.416 3.771 1.00 65.22 H new ATOM 0 HZ1 LYS A 54 -13.153 8.052 4.853 1.00 34.25 H new ATOM 0 HZ2 LYS A 54 -12.080 8.008 3.538 1.00 34.25 H new ATOM 0 HZ3 LYS A 54 -13.316 9.170 3.585 1.00 34.25 H new ATOM 900 N GLU A 55 -9.789 9.369 -0.670 1.00 4.31 N ATOM 901 CA GLU A 55 -8.781 10.420 -0.410 1.00 15.25 C ATOM 902 C GLU A 55 -7.423 10.016 -1.037 1.00 71.51 C ATOM 903 O GLU A 55 -6.938 8.896 -0.839 1.00 3.23 O ATOM 904 CB GLU A 55 -8.634 10.776 1.108 1.00 32.12 C ATOM 905 CG GLU A 55 -8.600 9.596 2.114 1.00 74.34 C ATOM 906 CD GLU A 55 -9.994 9.056 2.509 1.00 11.21 C ATOM 907 OE1 GLU A 55 -10.895 9.868 2.808 1.00 54.34 O ATOM 908 OE2 GLU A 55 -10.187 7.833 2.588 1.00 1.32 O ATOM 0 H GLU A 55 -9.407 8.423 -0.655 1.00 4.31 H new ATOM 0 HA GLU A 55 -9.136 11.333 -0.887 1.00 15.25 H new ATOM 0 HB2 GLU A 55 -7.717 11.352 1.232 1.00 32.12 H new ATOM 0 HB3 GLU A 55 -9.461 11.430 1.383 1.00 32.12 H new ATOM 0 HG2 GLU A 55 -8.017 8.782 1.682 1.00 74.34 H new ATOM 0 HG3 GLU A 55 -8.079 9.918 3.016 1.00 74.34 H new ATOM 915 N GLN A 56 -6.825 10.957 -1.798 1.00 22.33 N ATOM 916 CA GLN A 56 -5.600 10.719 -2.591 1.00 1.34 C ATOM 917 C GLN A 56 -4.331 10.567 -1.714 1.00 61.32 C ATOM 918 O GLN A 56 -4.250 11.089 -0.596 1.00 11.23 O ATOM 919 CB GLN A 56 -5.381 11.882 -3.607 1.00 71.44 C ATOM 920 CG GLN A 56 -5.084 13.260 -2.963 1.00 71.14 C ATOM 921 CD GLN A 56 -4.694 14.356 -3.960 1.00 11.31 C ATOM 922 OE1 GLN A 56 -5.116 14.358 -5.115 1.00 32.32 O ATOM 923 NE2 GLN A 56 -3.877 15.297 -3.516 1.00 12.42 N ATOM 0 H GLN A 56 -7.181 11.909 -1.880 1.00 22.33 H new ATOM 0 HA GLN A 56 -5.752 9.776 -3.117 1.00 1.34 H new ATOM 0 HB2 GLN A 56 -4.554 11.619 -4.266 1.00 71.44 H new ATOM 0 HB3 GLN A 56 -6.270 11.972 -4.231 1.00 71.44 H new ATOM 0 HG2 GLN A 56 -5.965 13.586 -2.410 1.00 71.14 H new ATOM 0 HG3 GLN A 56 -4.278 13.142 -2.238 1.00 71.14 H new ATOM 0 HE21 GLN A 56 -3.543 15.269 -2.553 1.00 12.42 H new ATOM 0 HE22 GLN A 56 -3.581 16.050 -4.137 1.00 12.42 H new ATOM 932 N PHE A 57 -3.348 9.841 -2.258 1.00 52.10 N ATOM 933 CA PHE A 57 -1.989 9.720 -1.689 1.00 63.34 C ATOM 934 C PHE A 57 -0.975 10.244 -2.732 1.00 62.43 C ATOM 935 O PHE A 57 -1.268 10.240 -3.938 1.00 32.43 O ATOM 936 CB PHE A 57 -1.680 8.236 -1.325 1.00 3.11 C ATOM 937 CG PHE A 57 -2.742 7.570 -0.435 1.00 45.13 C ATOM 938 CD1 PHE A 57 -3.851 6.920 -1.002 1.00 3.43 C ATOM 939 CD2 PHE A 57 -2.647 7.604 0.957 1.00 70.41 C ATOM 940 CE1 PHE A 57 -4.814 6.329 -0.207 1.00 71.43 C ATOM 941 CE2 PHE A 57 -3.616 7.011 1.750 1.00 45.21 C ATOM 942 CZ PHE A 57 -4.698 6.376 1.166 1.00 45.32 C ATOM 0 H PHE A 57 -3.470 9.310 -3.120 1.00 52.10 H new ATOM 0 HA PHE A 57 -1.917 10.308 -0.774 1.00 63.34 H new ATOM 0 HB2 PHE A 57 -1.582 7.661 -2.246 1.00 3.11 H new ATOM 0 HB3 PHE A 57 -0.717 8.191 -0.817 1.00 3.11 H new ATOM 0 HD1 PHE A 57 -3.952 6.882 -2.077 1.00 3.43 H new ATOM 0 HD2 PHE A 57 -1.807 8.099 1.422 1.00 70.41 H new ATOM 0 HE1 PHE A 57 -5.658 5.830 -0.661 1.00 71.43 H new ATOM 0 HE2 PHE A 57 -3.527 7.044 2.826 1.00 45.21 H new ATOM 0 HZ PHE A 57 -5.453 5.916 1.787 1.00 45.32 H new ATOM 952 N ASN A 58 0.212 10.680 -2.278 1.00 73.53 N ATOM 953 CA ASN A 58 1.281 11.165 -3.188 1.00 12.02 C ATOM 954 C ASN A 58 1.883 10.002 -4.014 1.00 24.32 C ATOM 955 O ASN A 58 1.806 8.839 -3.609 1.00 14.21 O ATOM 956 CB ASN A 58 2.387 11.889 -2.384 1.00 61.32 C ATOM 957 CG ASN A 58 1.923 13.230 -1.806 1.00 33.41 C ATOM 958 OD1 ASN A 58 1.305 13.209 -0.642 1.00 54.52 O flip ATOM 959 ND2 ASN A 58 2.101 14.277 -2.417 1.00 64.14 N flip ATOM 0 H ASN A 58 0.462 10.709 -1.290 1.00 73.53 H new ATOM 0 HA ASN A 58 0.834 11.874 -3.885 1.00 12.02 H new ATOM 0 HB2 ASN A 58 2.719 11.244 -1.571 1.00 61.32 H new ATOM 0 HB3 ASN A 58 3.249 12.056 -3.030 1.00 61.32 H new ATOM 0 HD21 ASN A 58 2.582 14.267 -3.316 1.00 64.14 H new ATOM 0 HD22 ASN A 58 1.768 15.158 -2.026 1.00 64.14 H new ATOM 966 N GLU A 59 2.479 10.345 -5.174 1.00 24.55 N ATOM 967 CA GLU A 59 3.062 9.361 -6.119 1.00 3.41 C ATOM 968 C GLU A 59 4.180 8.500 -5.475 1.00 51.42 C ATOM 969 O GLU A 59 4.317 7.323 -5.801 1.00 14.24 O ATOM 970 CB GLU A 59 3.590 10.077 -7.394 1.00 41.02 C ATOM 971 CG GLU A 59 4.681 11.142 -7.136 1.00 24.31 C ATOM 972 CD GLU A 59 5.209 11.791 -8.427 1.00 3.55 C ATOM 973 OE1 GLU A 59 6.129 11.229 -9.054 1.00 74.22 O ATOM 974 OE2 GLU A 59 4.699 12.861 -8.829 1.00 15.34 O ATOM 0 H GLU A 59 2.572 11.312 -5.485 1.00 24.55 H new ATOM 0 HA GLU A 59 2.260 8.678 -6.398 1.00 3.41 H new ATOM 0 HB2 GLU A 59 3.989 9.326 -8.076 1.00 41.02 H new ATOM 0 HB3 GLU A 59 2.750 10.553 -7.900 1.00 41.02 H new ATOM 0 HG2 GLU A 59 4.276 11.918 -6.486 1.00 24.31 H new ATOM 0 HG3 GLU A 59 5.512 10.680 -6.603 1.00 24.31 H new ATOM 981 N ALA A 60 4.953 9.102 -4.546 1.00 61.14 N ATOM 982 CA ALA A 60 6.011 8.400 -3.777 1.00 4.25 C ATOM 983 C ALA A 60 5.423 7.295 -2.866 1.00 1.05 C ATOM 984 O ALA A 60 5.987 6.203 -2.749 1.00 54.42 O ATOM 985 CB ALA A 60 6.806 9.416 -2.942 1.00 21.42 C ATOM 0 H ALA A 60 4.863 10.089 -4.306 1.00 61.14 H new ATOM 0 HA ALA A 60 6.678 7.913 -4.488 1.00 4.25 H new ATOM 0 HB1 ALA A 60 7.582 8.897 -2.379 1.00 21.42 H new ATOM 0 HB2 ALA A 60 7.267 10.149 -3.604 1.00 21.42 H new ATOM 0 HB3 ALA A 60 6.134 9.924 -2.250 1.00 21.42 H new ATOM 991 N GLN A 61 4.279 7.615 -2.245 1.00 24.13 N ATOM 992 CA GLN A 61 3.543 6.708 -1.344 1.00 61.54 C ATOM 993 C GLN A 61 2.912 5.530 -2.130 1.00 13.34 C ATOM 994 O GLN A 61 3.158 4.360 -1.821 1.00 63.24 O ATOM 995 CB GLN A 61 2.446 7.525 -0.609 1.00 24.22 C ATOM 996 CG GLN A 61 2.992 8.676 0.275 1.00 74.21 C ATOM 997 CD GLN A 61 1.909 9.646 0.754 1.00 60.03 C ATOM 998 OE1 GLN A 61 0.745 9.290 0.871 1.00 34.23 O ATOM 999 NE2 GLN A 61 2.285 10.880 1.040 1.00 10.41 N ATOM 0 H GLN A 61 3.830 8.524 -2.354 1.00 24.13 H new ATOM 0 HA GLN A 61 4.235 6.279 -0.619 1.00 61.54 H new ATOM 0 HB2 GLN A 61 1.764 7.943 -1.349 1.00 24.22 H new ATOM 0 HB3 GLN A 61 1.863 6.848 0.015 1.00 24.22 H new ATOM 0 HG2 GLN A 61 3.496 8.249 1.142 1.00 74.21 H new ATOM 0 HG3 GLN A 61 3.742 9.231 -0.288 1.00 74.21 H new ATOM 0 HE21 GLN A 61 3.262 11.153 0.934 1.00 10.41 H new ATOM 0 HE22 GLN A 61 1.598 11.560 1.367 1.00 10.41 H new ATOM 1008 N LEU A 62 2.120 5.876 -3.167 1.00 41.11 N ATOM 1009 CA LEU A 62 1.437 4.898 -4.045 1.00 72.43 C ATOM 1010 C LEU A 62 2.428 4.000 -4.820 1.00 51.11 C ATOM 1011 O LEU A 62 2.080 2.871 -5.152 1.00 22.44 O ATOM 1012 CB LEU A 62 0.483 5.630 -5.031 1.00 12.42 C ATOM 1013 CG LEU A 62 -0.791 6.273 -4.390 1.00 50.33 C ATOM 1014 CD1 LEU A 62 -1.624 7.066 -5.422 1.00 43.13 C ATOM 1015 CD2 LEU A 62 -1.664 5.206 -3.681 1.00 23.51 C ATOM 0 H LEU A 62 1.935 6.846 -3.421 1.00 41.11 H new ATOM 0 HA LEU A 62 0.854 4.242 -3.398 1.00 72.43 H new ATOM 0 HB2 LEU A 62 1.046 6.413 -5.539 1.00 12.42 H new ATOM 0 HB3 LEU A 62 0.164 4.920 -5.794 1.00 12.42 H new ATOM 0 HG LEU A 62 -0.443 6.982 -3.639 1.00 50.33 H new ATOM 0 HD11 LEU A 62 -2.498 7.494 -4.932 1.00 43.13 H new ATOM 0 HD12 LEU A 62 -1.015 7.866 -5.843 1.00 43.13 H new ATOM 0 HD13 LEU A 62 -1.947 6.397 -6.220 1.00 43.13 H new ATOM 0 HD21 LEU A 62 -2.541 5.684 -3.246 1.00 23.51 H new ATOM 0 HD22 LEU A 62 -1.981 4.456 -4.405 1.00 23.51 H new ATOM 0 HD23 LEU A 62 -1.084 4.726 -2.893 1.00 23.51 H new ATOM 1027 N ALA A 63 3.651 4.520 -5.087 1.00 41.44 N ATOM 1028 CA ALA A 63 4.729 3.777 -5.792 1.00 73.43 C ATOM 1029 C ALA A 63 5.032 2.425 -5.110 1.00 71.32 C ATOM 1030 O ALA A 63 4.864 1.366 -5.721 1.00 21.50 O ATOM 1031 CB ALA A 63 6.002 4.642 -5.875 1.00 5.32 C ATOM 0 H ALA A 63 3.920 5.467 -4.820 1.00 41.44 H new ATOM 0 HA ALA A 63 4.381 3.560 -6.802 1.00 73.43 H new ATOM 0 HB1 ALA A 63 6.785 4.088 -6.393 1.00 5.32 H new ATOM 0 HB2 ALA A 63 5.784 5.559 -6.422 1.00 5.32 H new ATOM 0 HB3 ALA A 63 6.339 4.891 -4.869 1.00 5.32 H new ATOM 1037 N LEU A 64 5.430 2.495 -3.826 1.00 75.03 N ATOM 1038 CA LEU A 64 5.683 1.309 -2.979 1.00 4.11 C ATOM 1039 C LEU A 64 4.429 0.407 -2.887 1.00 3.23 C ATOM 1040 O LEU A 64 4.530 -0.811 -3.018 1.00 34.24 O ATOM 1041 CB LEU A 64 6.107 1.759 -1.559 1.00 74.12 C ATOM 1042 CG LEU A 64 6.268 0.625 -0.488 1.00 23.44 C ATOM 1043 CD1 LEU A 64 7.436 -0.331 -0.821 1.00 1.55 C ATOM 1044 CD2 LEU A 64 6.405 1.210 0.930 1.00 32.23 C ATOM 0 H LEU A 64 5.587 3.379 -3.342 1.00 75.03 H new ATOM 0 HA LEU A 64 6.486 0.731 -3.437 1.00 4.11 H new ATOM 0 HB2 LEU A 64 7.055 2.292 -1.638 1.00 74.12 H new ATOM 0 HB3 LEU A 64 5.370 2.473 -1.192 1.00 74.12 H new ATOM 0 HG LEU A 64 5.356 0.029 -0.515 1.00 23.44 H new ATOM 0 HD11 LEU A 64 7.508 -1.099 -0.051 1.00 1.55 H new ATOM 0 HD12 LEU A 64 7.257 -0.802 -1.788 1.00 1.55 H new ATOM 0 HD13 LEU A 64 8.368 0.233 -0.859 1.00 1.55 H new ATOM 0 HD21 LEU A 64 6.515 0.398 1.649 1.00 32.23 H new ATOM 0 HD22 LEU A 64 7.282 1.855 0.974 1.00 32.23 H new ATOM 0 HD23 LEU A 64 5.515 1.791 1.172 1.00 32.23 H new ATOM 1056 N ILE A 65 3.260 1.043 -2.667 1.00 63.41 N ATOM 1057 CA ILE A 65 1.953 0.353 -2.561 1.00 42.24 C ATOM 1058 C ILE A 65 1.636 -0.518 -3.819 1.00 31.20 C ATOM 1059 O ILE A 65 1.049 -1.602 -3.688 1.00 61.32 O ATOM 1060 CB ILE A 65 0.802 1.404 -2.296 1.00 12.31 C ATOM 1061 CG1 ILE A 65 0.995 2.096 -0.896 1.00 44.41 C ATOM 1062 CG2 ILE A 65 -0.601 0.769 -2.415 1.00 3.23 C ATOM 1063 CD1 ILE A 65 -0.028 3.177 -0.550 1.00 71.01 C ATOM 0 H ILE A 65 3.193 2.055 -2.557 1.00 63.41 H new ATOM 0 HA ILE A 65 2.011 -0.331 -1.714 1.00 42.24 H new ATOM 0 HB ILE A 65 0.871 2.168 -3.071 1.00 12.31 H new ATOM 0 HG12 ILE A 65 0.962 1.328 -0.123 1.00 44.41 H new ATOM 0 HG13 ILE A 65 1.991 2.539 -0.863 1.00 44.41 H new ATOM 0 HG21 ILE A 65 -1.361 1.527 -2.225 1.00 3.23 H new ATOM 0 HG22 ILE A 65 -0.734 0.365 -3.419 1.00 3.23 H new ATOM 0 HG23 ILE A 65 -0.700 -0.034 -1.685 1.00 3.23 H new ATOM 0 HD11 ILE A 65 0.196 3.588 0.434 1.00 71.01 H new ATOM 0 HD12 ILE A 65 0.017 3.972 -1.294 1.00 71.01 H new ATOM 0 HD13 ILE A 65 -1.028 2.743 -0.543 1.00 71.01 H new ATOM 1075 N ARG A 66 2.040 -0.055 -5.027 1.00 3.30 N ATOM 1076 CA ARG A 66 1.877 -0.850 -6.269 1.00 63.32 C ATOM 1077 C ARG A 66 2.730 -2.131 -6.194 1.00 45.11 C ATOM 1078 O ARG A 66 2.204 -3.231 -6.371 1.00 73.20 O ATOM 1079 CB ARG A 66 2.262 -0.035 -7.542 1.00 71.14 C ATOM 1080 CG ARG A 66 1.463 1.265 -7.772 1.00 70.13 C ATOM 1081 CD ARG A 66 -0.062 1.055 -7.769 1.00 40.10 C ATOM 1082 NE ARG A 66 -0.780 2.315 -8.025 1.00 61.30 N ATOM 1083 CZ ARG A 66 -1.481 3.006 -7.152 1.00 3.53 C ATOM 1084 NH1 ARG A 66 -1.603 2.623 -5.915 1.00 62.31 N ATOM 1085 NH2 ARG A 66 -2.049 4.098 -7.530 1.00 75.04 N ATOM 0 H ARG A 66 2.477 0.856 -5.167 1.00 3.30 H new ATOM 0 HA ARG A 66 0.822 -1.113 -6.350 1.00 63.32 H new ATOM 0 HB2 ARG A 66 3.321 0.217 -7.483 1.00 71.14 H new ATOM 0 HB3 ARG A 66 2.135 -0.677 -8.414 1.00 71.14 H new ATOM 0 HG2 ARG A 66 1.724 1.985 -6.997 1.00 70.13 H new ATOM 0 HG3 ARG A 66 1.760 1.701 -8.726 1.00 70.13 H new ATOM 0 HD2 ARG A 66 -0.331 0.321 -8.528 1.00 40.10 H new ATOM 0 HD3 ARG A 66 -0.372 0.647 -6.807 1.00 40.10 H new ATOM 0 HE ARG A 66 -0.729 2.689 -8.973 1.00 61.30 H new ATOM 0 HH11 ARG A 66 -1.149 1.766 -5.599 1.00 62.31 H new ATOM 0 HH12 ARG A 66 -2.153 3.180 -5.261 1.00 62.31 H new ATOM 0 HH21 ARG A 66 -1.952 4.416 -8.494 1.00 75.04 H new ATOM 0 HH22 ARG A 66 -2.596 4.645 -6.865 1.00 75.04 H new ATOM 1099 N ASP A 67 4.032 -1.956 -5.862 1.00 30.23 N ATOM 1100 CA ASP A 67 5.015 -3.063 -5.743 1.00 33.21 C ATOM 1101 C ASP A 67 4.600 -4.109 -4.680 1.00 1.41 C ATOM 1102 O ASP A 67 4.781 -5.309 -4.888 1.00 64.53 O ATOM 1103 CB ASP A 67 6.423 -2.496 -5.421 1.00 0.31 C ATOM 1104 CG ASP A 67 6.983 -1.631 -6.562 1.00 41.21 C ATOM 1105 OD1 ASP A 67 7.469 -2.194 -7.565 1.00 44.24 O ATOM 1106 OD2 ASP A 67 6.933 -0.395 -6.477 1.00 61.13 O ATOM 0 H ASP A 67 4.433 -1.038 -5.668 1.00 30.23 H new ATOM 0 HA ASP A 67 5.042 -3.577 -6.704 1.00 33.21 H new ATOM 0 HB2 ASP A 67 6.372 -1.901 -4.509 1.00 0.31 H new ATOM 0 HB3 ASP A 67 7.108 -3.321 -5.225 1.00 0.31 H new ATOM 1111 N ILE A 68 4.028 -3.638 -3.557 1.00 22.13 N ATOM 1112 CA ILE A 68 3.499 -4.512 -2.482 1.00 63.21 C ATOM 1113 C ILE A 68 2.351 -5.413 -3.008 1.00 4.00 C ATOM 1114 O ILE A 68 2.324 -6.609 -2.730 1.00 54.10 O ATOM 1115 CB ILE A 68 2.991 -3.673 -1.249 1.00 25.04 C ATOM 1116 CG1 ILE A 68 4.174 -2.917 -0.549 1.00 63.32 C ATOM 1117 CG2 ILE A 68 2.216 -4.559 -0.241 1.00 32.33 C ATOM 1118 CD1 ILE A 68 3.759 -1.989 0.587 1.00 72.31 C ATOM 0 H ILE A 68 3.917 -2.642 -3.365 1.00 22.13 H new ATOM 0 HA ILE A 68 4.324 -5.144 -2.153 1.00 63.21 H new ATOM 0 HB ILE A 68 2.296 -2.923 -1.627 1.00 25.04 H new ATOM 0 HG12 ILE A 68 4.877 -3.653 -0.159 1.00 63.32 H new ATOM 0 HG13 ILE A 68 4.708 -2.333 -1.299 1.00 63.32 H new ATOM 0 HG21 ILE A 68 1.880 -3.948 0.597 1.00 32.33 H new ATOM 0 HG22 ILE A 68 1.352 -5.003 -0.736 1.00 32.33 H new ATOM 0 HG23 ILE A 68 2.870 -5.350 0.126 1.00 32.33 H new ATOM 0 HD11 ILE A 68 4.644 -1.512 1.009 1.00 72.31 H new ATOM 0 HD12 ILE A 68 3.082 -1.225 0.204 1.00 72.31 H new ATOM 0 HD13 ILE A 68 3.254 -2.566 1.362 1.00 72.31 H new ATOM 1130 N ARG A 69 1.415 -4.808 -3.764 1.00 24.42 N ATOM 1131 CA ARG A 69 0.289 -5.534 -4.397 1.00 2.23 C ATOM 1132 C ARG A 69 0.777 -6.547 -5.472 1.00 35.04 C ATOM 1133 O ARG A 69 0.147 -7.588 -5.673 1.00 14.42 O ATOM 1134 CB ARG A 69 -0.728 -4.512 -4.990 1.00 23.31 C ATOM 1135 CG ARG A 69 -1.545 -3.759 -3.916 1.00 72.01 C ATOM 1136 CD ARG A 69 -2.494 -2.697 -4.494 1.00 14.53 C ATOM 1137 NE ARG A 69 -3.467 -3.286 -5.424 1.00 12.05 N ATOM 1138 CZ ARG A 69 -3.960 -2.694 -6.485 1.00 63.43 C ATOM 1139 NH1 ARG A 69 -3.646 -1.476 -6.795 1.00 74.31 N ATOM 1140 NH2 ARG A 69 -4.777 -3.333 -7.239 1.00 65.15 N ATOM 0 H ARG A 69 1.415 -3.806 -3.955 1.00 24.42 H new ATOM 0 HA ARG A 69 -0.213 -6.123 -3.629 1.00 2.23 H new ATOM 0 HB2 ARG A 69 -0.188 -3.787 -5.599 1.00 23.31 H new ATOM 0 HB3 ARG A 69 -1.414 -5.038 -5.654 1.00 23.31 H new ATOM 0 HG2 ARG A 69 -2.127 -4.481 -3.343 1.00 72.01 H new ATOM 0 HG3 ARG A 69 -0.858 -3.279 -3.220 1.00 72.01 H new ATOM 0 HD2 ARG A 69 -3.023 -2.200 -3.681 1.00 14.53 H new ATOM 0 HD3 ARG A 69 -1.913 -1.933 -5.011 1.00 14.53 H new ATOM 0 HE ARG A 69 -3.786 -4.235 -5.228 1.00 12.05 H new ATOM 0 HH11 ARG A 69 -2.999 -0.951 -6.207 1.00 74.31 H new ATOM 0 HH12 ARG A 69 -4.046 -1.042 -7.627 1.00 74.31 H new ATOM 0 HH21 ARG A 69 -5.038 -4.292 -7.011 1.00 65.15 H new ATOM 0 HH22 ARG A 69 -5.166 -2.882 -8.067 1.00 65.15 H new ATOM 1154 N ARG A 70 1.916 -6.242 -6.130 1.00 53.31 N ATOM 1155 CA ARG A 70 2.567 -7.175 -7.086 1.00 13.32 C ATOM 1156 C ARG A 70 3.068 -8.439 -6.344 1.00 43.04 C ATOM 1157 O ARG A 70 2.830 -9.564 -6.786 1.00 63.33 O ATOM 1158 CB ARG A 70 3.769 -6.498 -7.803 1.00 22.34 C ATOM 1159 CG ARG A 70 3.458 -5.159 -8.494 1.00 13.14 C ATOM 1160 CD ARG A 70 2.498 -5.264 -9.692 1.00 50.45 C ATOM 1161 NE ARG A 70 2.161 -3.931 -10.233 1.00 31.12 N ATOM 1162 CZ ARG A 70 3.001 -3.099 -10.834 1.00 62.44 C ATOM 1163 NH1 ARG A 70 4.245 -3.410 -11.050 1.00 73.13 N ATOM 1164 NH2 ARG A 70 2.575 -1.943 -11.224 1.00 10.34 N ATOM 0 H ARG A 70 2.408 -5.355 -6.019 1.00 53.31 H new ATOM 0 HA ARG A 70 1.824 -7.454 -7.833 1.00 13.32 H new ATOM 0 HB2 ARG A 70 4.561 -6.335 -7.072 1.00 22.34 H new ATOM 0 HB3 ARG A 70 4.161 -7.189 -8.549 1.00 22.34 H new ATOM 0 HG2 ARG A 70 3.029 -4.477 -7.760 1.00 13.14 H new ATOM 0 HG3 ARG A 70 4.394 -4.714 -8.833 1.00 13.14 H new ATOM 0 HD2 ARG A 70 2.955 -5.870 -10.474 1.00 50.45 H new ATOM 0 HD3 ARG A 70 1.585 -5.775 -9.385 1.00 50.45 H new ATOM 0 HE ARG A 70 1.194 -3.622 -10.135 1.00 31.12 H new ATOM 0 HH11 ARG A 70 4.602 -4.318 -10.754 1.00 73.13 H new ATOM 0 HH12 ARG A 70 4.863 -2.746 -11.515 1.00 73.13 H new ATOM 0 HH21 ARG A 70 1.602 -1.679 -11.068 1.00 10.34 H new ATOM 0 HH22 ARG A 70 3.212 -1.295 -11.687 1.00 10.34 H new ATOM 1178 N ARG A 71 3.769 -8.223 -5.205 1.00 43.54 N ATOM 1179 CA ARG A 71 4.335 -9.327 -4.385 1.00 43.31 C ATOM 1180 C ARG A 71 3.226 -10.044 -3.576 1.00 53.25 C ATOM 1181 O ARG A 71 3.371 -11.212 -3.194 1.00 61.25 O ATOM 1182 CB ARG A 71 5.445 -8.811 -3.418 1.00 44.44 C ATOM 1183 CG ARG A 71 6.499 -7.852 -4.035 1.00 72.54 C ATOM 1184 CD ARG A 71 7.052 -8.297 -5.406 1.00 53.22 C ATOM 1185 NE ARG A 71 7.631 -9.651 -5.395 1.00 62.50 N ATOM 1186 CZ ARG A 71 8.434 -10.143 -6.312 1.00 42.42 C ATOM 1187 NH1 ARG A 71 8.895 -9.419 -7.283 1.00 33.52 N ATOM 1188 NH2 ARG A 71 8.789 -11.378 -6.241 1.00 25.21 N ATOM 0 H ARG A 71 3.958 -7.293 -4.831 1.00 43.54 H new ATOM 0 HA ARG A 71 4.785 -10.040 -5.076 1.00 43.31 H new ATOM 0 HB2 ARG A 71 4.963 -8.300 -2.584 1.00 44.44 H new ATOM 0 HB3 ARG A 71 5.967 -9.674 -3.004 1.00 44.44 H new ATOM 0 HG2 ARG A 71 6.052 -6.864 -4.142 1.00 72.54 H new ATOM 0 HG3 ARG A 71 7.331 -7.752 -3.338 1.00 72.54 H new ATOM 0 HD2 ARG A 71 6.249 -8.260 -6.142 1.00 53.22 H new ATOM 0 HD3 ARG A 71 7.814 -7.587 -5.729 1.00 53.22 H new ATOM 0 HE ARG A 71 7.389 -10.257 -4.611 1.00 62.50 H new ATOM 0 HH11 ARG A 71 8.636 -8.435 -7.353 1.00 33.52 H new ATOM 0 HH12 ARG A 71 9.516 -9.833 -7.978 1.00 33.52 H new ATOM 0 HH21 ARG A 71 8.448 -11.964 -5.479 1.00 25.21 H new ATOM 0 HH22 ARG A 71 9.412 -11.771 -6.947 1.00 25.21 H new