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 Set 1.1: A 58 ASN : amide:sc= 0.345 X(o=0.011,f=-0.1) USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.335 X(o=-0.1,f=0.011) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.0991 (180deg=-0.0391) USER MOD Single : A 42 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -174:sc= -0.349 (180deg=-0.466) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 5.858 -6.611 12.050 1.00 30.22 N ATOM 330 CA LEU A 21 6.993 -5.742 11.631 1.00 14.13 C ATOM 331 C LEU A 21 8.010 -6.461 10.689 1.00 53.30 C ATOM 332 O LEU A 21 9.157 -6.731 11.069 1.00 3.53 O ATOM 333 CB LEU A 21 7.704 -5.104 12.865 1.00 75.23 C ATOM 334 CG LEU A 21 6.835 -4.164 13.764 1.00 51.41 C ATOM 335 CD1 LEU A 21 7.655 -3.616 14.953 1.00 73.04 C ATOM 336 CD2 LEU A 21 6.207 -3.009 12.942 1.00 21.51 C ATOM 0 HA LEU A 21 6.557 -4.938 11.038 1.00 14.13 H new ATOM 0 HB2 LEU A 21 8.092 -5.909 13.489 1.00 75.23 H new ATOM 0 HB3 LEU A 21 8.563 -4.536 12.508 1.00 75.23 H new ATOM 0 HG LEU A 21 6.018 -4.762 14.166 1.00 51.41 H new ATOM 0 HD11 LEU A 21 7.025 -2.966 15.560 1.00 73.04 H new ATOM 0 HD12 LEU A 21 8.013 -4.446 15.562 1.00 73.04 H new ATOM 0 HD13 LEU A 21 8.506 -3.048 14.577 1.00 73.04 H new ATOM 0 HD21 LEU A 21 5.610 -2.377 13.600 1.00 21.51 H new ATOM 0 HD22 LEU A 21 6.999 -2.414 12.487 1.00 21.51 H new ATOM 0 HD23 LEU A 21 5.570 -3.423 12.161 1.00 21.51 H new ATOM 348 N THR A 22 7.557 -6.795 9.462 1.00 4.13 N ATOM 349 CA THR A 22 8.446 -7.346 8.389 1.00 31.11 C ATOM 350 C THR A 22 9.214 -6.209 7.659 1.00 21.34 C ATOM 351 O THR A 22 9.003 -5.032 7.965 1.00 64.01 O ATOM 352 CB THR A 22 7.636 -8.203 7.350 1.00 10.32 C ATOM 353 OG1 THR A 22 8.529 -8.863 6.436 1.00 44.35 O ATOM 354 CG2 THR A 22 6.609 -7.376 6.557 1.00 62.23 C ATOM 0 H THR A 22 6.582 -6.697 9.179 1.00 4.13 H new ATOM 0 HA THR A 22 9.170 -7.998 8.877 1.00 31.11 H new ATOM 0 HB THR A 22 7.081 -8.941 7.929 1.00 10.32 H new ATOM 0 HG1 THR A 22 8.009 -9.394 5.797 1.00 44.35 H new ATOM 0 HG21 THR A 22 6.083 -8.024 5.857 1.00 62.23 H new ATOM 0 HG22 THR A 22 5.893 -6.928 7.246 1.00 62.23 H new ATOM 0 HG23 THR A 22 7.123 -6.589 6.006 1.00 62.23 H new ATOM 362 N ARG A 23 10.088 -6.570 6.682 1.00 42.33 N ATOM 363 CA ARG A 23 10.865 -5.584 5.874 1.00 55.32 C ATOM 364 C ARG A 23 9.930 -4.581 5.155 1.00 53.31 C ATOM 365 O ARG A 23 10.249 -3.393 5.007 1.00 42.31 O ATOM 366 CB ARG A 23 11.736 -6.300 4.810 1.00 50.12 C ATOM 367 CG ARG A 23 12.676 -7.403 5.345 1.00 54.41 C ATOM 368 CD ARG A 23 13.538 -8.003 4.218 1.00 22.24 C ATOM 369 NE ARG A 23 14.324 -9.166 4.652 1.00 2.03 N ATOM 370 CZ ARG A 23 15.334 -9.690 3.988 1.00 1.34 C ATOM 371 NH1 ARG A 23 15.805 -9.129 2.915 1.00 63.15 N ATOM 372 NH2 ARG A 23 15.882 -10.773 4.411 1.00 2.55 N ATOM 0 H ARG A 23 10.274 -7.541 6.432 1.00 42.33 H new ATOM 0 HA ARG A 23 11.507 -5.043 6.569 1.00 55.32 H new ATOM 0 HB2 ARG A 23 11.075 -6.742 4.064 1.00 50.12 H new ATOM 0 HB3 ARG A 23 12.340 -5.551 4.298 1.00 50.12 H new ATOM 0 HG2 ARG A 23 13.323 -6.988 6.118 1.00 54.41 H new ATOM 0 HG3 ARG A 23 12.086 -8.191 5.812 1.00 54.41 H new ATOM 0 HD2 ARG A 23 12.891 -8.297 3.391 1.00 22.24 H new ATOM 0 HD3 ARG A 23 14.213 -7.237 3.838 1.00 22.24 H new ATOM 0 HE ARG A 23 14.067 -9.602 5.538 1.00 2.03 H new ATOM 0 HH11 ARG A 23 15.392 -8.263 2.569 1.00 63.15 H new ATOM 0 HH12 ARG A 23 16.588 -9.555 2.419 1.00 63.15 H new ATOM 0 HH21 ARG A 23 15.535 -11.223 5.258 1.00 2.55 H new ATOM 0 HH22 ARG A 23 16.664 -11.182 3.900 1.00 2.55 H new ATOM 386 N ASP A 24 8.776 -5.096 4.719 1.00 40.32 N ATOM 387 CA ASP A 24 7.730 -4.296 4.070 1.00 42.12 C ATOM 388 C ASP A 24 7.032 -3.319 5.062 1.00 44.44 C ATOM 389 O ASP A 24 6.709 -2.192 4.690 1.00 2.50 O ATOM 390 CB ASP A 24 6.714 -5.228 3.372 1.00 63.32 C ATOM 391 CG ASP A 24 7.180 -5.704 1.986 1.00 55.43 C ATOM 392 OD1 ASP A 24 7.179 -4.876 1.053 1.00 70.13 O ATOM 393 OD2 ASP A 24 7.542 -6.892 1.824 1.00 12.51 O ATOM 0 H ASP A 24 8.539 -6.084 4.806 1.00 40.32 H new ATOM 0 HA ASP A 24 8.203 -3.669 3.315 1.00 42.12 H new ATOM 0 HB2 ASP A 24 6.533 -6.097 4.005 1.00 63.32 H new ATOM 0 HB3 ASP A 24 5.763 -4.705 3.269 1.00 63.32 H new ATOM 398 N GLU A 25 6.815 -3.747 6.316 1.00 71.34 N ATOM 399 CA GLU A 25 6.240 -2.869 7.375 1.00 24.31 C ATOM 400 C GLU A 25 7.209 -1.706 7.738 1.00 54.20 C ATOM 401 O GLU A 25 6.767 -0.604 8.082 1.00 24.54 O ATOM 402 CB GLU A 25 5.900 -3.702 8.640 1.00 1.42 C ATOM 403 CG GLU A 25 4.789 -4.760 8.452 1.00 22.31 C ATOM 404 CD GLU A 25 3.395 -4.158 8.204 1.00 4.52 C ATOM 405 OE1 GLU A 25 2.917 -3.394 9.075 1.00 44.32 O ATOM 406 OE2 GLU A 25 2.757 -4.474 7.174 1.00 41.13 O ATOM 0 H GLU A 25 7.026 -4.694 6.632 1.00 71.34 H new ATOM 0 HA GLU A 25 5.323 -2.429 6.982 1.00 24.31 H new ATOM 0 HB2 GLU A 25 6.806 -4.206 8.978 1.00 1.42 H new ATOM 0 HB3 GLU A 25 5.599 -3.020 9.435 1.00 1.42 H new ATOM 0 HG2 GLU A 25 5.051 -5.404 7.612 1.00 22.31 H new ATOM 0 HG3 GLU A 25 4.749 -5.393 9.339 1.00 22.31 H new ATOM 413 N LEU A 26 8.525 -1.975 7.633 1.00 33.01 N ATOM 414 CA LEU A 26 9.589 -0.972 7.878 1.00 13.41 C ATOM 415 C LEU A 26 9.546 0.176 6.831 1.00 72.01 C ATOM 416 O LEU A 26 9.542 1.359 7.192 1.00 23.51 O ATOM 417 CB LEU A 26 10.981 -1.660 7.864 1.00 61.53 C ATOM 418 CG LEU A 26 11.188 -2.792 8.921 1.00 2.22 C ATOM 419 CD1 LEU A 26 12.542 -3.516 8.730 1.00 61.30 C ATOM 420 CD2 LEU A 26 11.047 -2.250 10.362 1.00 4.21 C ATOM 0 H LEU A 26 8.884 -2.894 7.376 1.00 33.01 H new ATOM 0 HA LEU A 26 9.414 -0.531 8.859 1.00 13.41 H new ATOM 0 HB2 LEU A 26 11.149 -2.079 6.872 1.00 61.53 H new ATOM 0 HB3 LEU A 26 11.744 -0.898 8.021 1.00 61.53 H new ATOM 0 HG LEU A 26 10.399 -3.527 8.761 1.00 2.22 H new ATOM 0 HD11 LEU A 26 12.647 -4.296 9.484 1.00 61.30 H new ATOM 0 HD12 LEU A 26 12.578 -3.965 7.737 1.00 61.30 H new ATOM 0 HD13 LEU A 26 13.356 -2.799 8.834 1.00 61.30 H new ATOM 0 HD21 LEU A 26 11.197 -3.063 11.073 1.00 4.21 H new ATOM 0 HD22 LEU A 26 11.794 -1.475 10.534 1.00 4.21 H new ATOM 0 HD23 LEU A 26 10.051 -1.829 10.497 1.00 4.21 H new ATOM 432 N ARG A 27 9.508 -0.199 5.534 1.00 33.25 N ATOM 433 CA ARG A 27 9.422 0.771 4.408 1.00 1.22 C ATOM 434 C ARG A 27 8.039 1.475 4.355 1.00 24.34 C ATOM 435 O ARG A 27 7.941 2.625 3.919 1.00 53.13 O ATOM 436 CB ARG A 27 9.747 0.071 3.055 1.00 24.22 C ATOM 437 CG ARG A 27 8.765 -1.046 2.654 1.00 21.32 C ATOM 438 CD ARG A 27 9.158 -1.793 1.370 1.00 13.21 C ATOM 439 NE ARG A 27 10.445 -2.504 1.490 1.00 43.45 N ATOM 440 CZ ARG A 27 10.777 -3.604 0.846 1.00 4.12 C ATOM 441 NH1 ARG A 27 9.905 -4.289 0.169 1.00 63.32 N ATOM 442 NH2 ARG A 27 11.990 -4.042 0.922 1.00 21.35 N ATOM 0 H ARG A 27 9.536 -1.173 5.234 1.00 33.25 H new ATOM 0 HA ARG A 27 10.169 1.546 4.583 1.00 1.22 H new ATOM 0 HB2 ARG A 27 9.761 0.824 2.267 1.00 24.22 H new ATOM 0 HB3 ARG A 27 10.751 -0.350 3.112 1.00 24.22 H new ATOM 0 HG2 ARG A 27 8.693 -1.763 3.472 1.00 21.32 H new ATOM 0 HG3 ARG A 27 7.773 -0.613 2.521 1.00 21.32 H new ATOM 0 HD2 ARG A 27 8.375 -2.509 1.118 1.00 13.21 H new ATOM 0 HD3 ARG A 27 9.217 -1.082 0.546 1.00 13.21 H new ATOM 0 HE ARG A 27 11.138 -2.110 2.127 1.00 43.45 H new ATOM 0 HH11 ARG A 27 8.934 -3.979 0.126 1.00 63.32 H new ATOM 0 HH12 ARG A 27 10.191 -5.137 -0.320 1.00 63.32 H new ATOM 0 HH21 ARG A 27 12.681 -3.537 1.477 1.00 21.35 H new ATOM 0 HH22 ARG A 27 12.257 -4.893 0.427 1.00 21.35 H new ATOM 456 N ALA A 28 6.977 0.768 4.804 1.00 72.25 N ATOM 457 CA ALA A 28 5.606 1.329 4.893 1.00 62.00 C ATOM 458 C ALA A 28 5.534 2.480 5.918 1.00 15.41 C ATOM 459 O ALA A 28 4.920 3.513 5.655 1.00 42.23 O ATOM 460 CB ALA A 28 4.595 0.232 5.249 1.00 21.43 C ATOM 0 H ALA A 28 7.043 -0.202 5.113 1.00 72.25 H new ATOM 0 HA ALA A 28 5.351 1.735 3.914 1.00 62.00 H new ATOM 0 HB1 ALA A 28 3.596 0.664 5.309 1.00 21.43 H new ATOM 0 HB2 ALA A 28 4.611 -0.541 4.480 1.00 21.43 H new ATOM 0 HB3 ALA A 28 4.859 -0.208 6.211 1.00 21.43 H new ATOM 466 N LYS A 29 6.175 2.274 7.086 1.00 11.34 N ATOM 467 CA LYS A 29 6.299 3.311 8.137 1.00 14.30 C ATOM 468 C LYS A 29 7.166 4.501 7.647 1.00 62.51 C ATOM 469 O LYS A 29 6.833 5.670 7.883 1.00 14.13 O ATOM 470 CB LYS A 29 6.911 2.700 9.424 1.00 64.50 C ATOM 471 CG LYS A 29 7.078 3.702 10.591 1.00 2.31 C ATOM 472 CD LYS A 29 7.803 3.094 11.811 1.00 34.44 C ATOM 473 CE LYS A 29 7.972 4.107 12.959 1.00 65.50 C ATOM 474 NZ LYS A 29 8.710 3.530 14.116 1.00 43.02 N ATOM 0 H LYS A 29 6.620 1.389 7.329 1.00 11.34 H new ATOM 0 HA LYS A 29 5.301 3.686 8.361 1.00 14.30 H new ATOM 0 HB2 LYS A 29 6.279 1.876 9.756 1.00 64.50 H new ATOM 0 HB3 LYS A 29 7.886 2.277 9.182 1.00 64.50 H new ATOM 0 HG2 LYS A 29 7.636 4.570 10.240 1.00 2.31 H new ATOM 0 HG3 LYS A 29 6.095 4.058 10.900 1.00 2.31 H new ATOM 0 HD2 LYS A 29 7.242 2.232 12.171 1.00 34.44 H new ATOM 0 HD3 LYS A 29 8.784 2.731 11.503 1.00 34.44 H new ATOM 0 HE2 LYS A 29 8.505 4.984 12.592 1.00 65.50 H new ATOM 0 HE3 LYS A 29 6.990 4.446 13.289 1.00 65.50 H new ATOM 0 HZ1 LYS A 29 8.799 4.248 14.863 1.00 43.02 H new ATOM 0 HZ2 LYS A 29 8.190 2.709 14.485 1.00 43.02 H new ATOM 0 HZ3 LYS A 29 9.657 3.230 13.809 1.00 43.02 H new ATOM 488 N ALA A 30 8.266 4.173 6.943 1.00 22.05 N ATOM 489 CA ALA A 30 9.226 5.165 6.408 1.00 13.31 C ATOM 490 C ALA A 30 8.576 6.124 5.377 1.00 34.52 C ATOM 491 O ALA A 30 8.866 7.326 5.365 1.00 72.15 O ATOM 492 CB ALA A 30 10.433 4.438 5.795 1.00 62.43 C ATOM 0 H ALA A 30 8.517 3.208 6.727 1.00 22.05 H new ATOM 0 HA ALA A 30 9.560 5.786 7.239 1.00 13.31 H new ATOM 0 HB1 ALA A 30 11.138 5.171 5.402 1.00 62.43 H new ATOM 0 HB2 ALA A 30 10.923 3.837 6.561 1.00 62.43 H new ATOM 0 HB3 ALA A 30 10.095 3.790 4.987 1.00 62.43 H new ATOM 498 N LEU A 31 7.700 5.577 4.513 1.00 25.12 N ATOM 499 CA LEU A 31 6.940 6.374 3.514 1.00 32.53 C ATOM 500 C LEU A 31 5.581 6.867 4.071 1.00 65.23 C ATOM 501 O LEU A 31 4.959 7.739 3.468 1.00 25.22 O ATOM 502 CB LEU A 31 6.753 5.556 2.208 1.00 45.41 C ATOM 503 CG LEU A 31 8.083 5.169 1.477 1.00 65.43 C ATOM 504 CD1 LEU A 31 7.820 4.341 0.207 1.00 32.24 C ATOM 505 CD2 LEU A 31 8.932 6.420 1.146 1.00 32.33 C ATOM 0 H LEU A 31 7.496 4.578 4.482 1.00 25.12 H new ATOM 0 HA LEU A 31 7.523 7.266 3.286 1.00 32.53 H new ATOM 0 HB2 LEU A 31 6.206 4.643 2.443 1.00 45.41 H new ATOM 0 HB3 LEU A 31 6.132 6.132 1.521 1.00 45.41 H new ATOM 0 HG LEU A 31 8.651 4.545 2.167 1.00 65.43 H new ATOM 0 HD11 LEU A 31 8.769 4.094 -0.269 1.00 32.24 H new ATOM 0 HD12 LEU A 31 7.298 3.422 0.473 1.00 32.24 H new ATOM 0 HD13 LEU A 31 7.207 4.920 -0.484 1.00 32.24 H new ATOM 0 HD21 LEU A 31 9.848 6.115 0.639 1.00 32.33 H new ATOM 0 HD22 LEU A 31 8.362 7.085 0.497 1.00 32.33 H new ATOM 0 HD23 LEU A 31 9.185 6.943 2.069 1.00 32.33 H new ATOM 517 N HIS A 32 5.165 6.321 5.239 1.00 52.55 N ATOM 518 CA HIS A 32 3.945 6.738 5.992 1.00 31.00 C ATOM 519 C HIS A 32 2.622 6.359 5.265 1.00 12.32 C ATOM 520 O HIS A 32 1.802 7.230 4.940 1.00 32.32 O ATOM 521 CB HIS A 32 3.985 8.252 6.367 1.00 41.43 C ATOM 522 CG HIS A 32 5.174 8.652 7.206 1.00 11.51 C ATOM 523 ND1 HIS A 32 6.438 8.804 6.678 1.00 41.11 N ATOM 524 CD2 HIS A 32 5.293 8.943 8.526 1.00 33.01 C ATOM 525 CE1 HIS A 32 7.272 9.165 7.621 1.00 35.44 C ATOM 526 NE2 HIS A 32 6.608 9.258 8.753 1.00 12.03 N ATOM 0 H HIS A 32 5.673 5.564 5.697 1.00 52.55 H new ATOM 0 HA HIS A 32 3.954 6.169 6.922 1.00 31.00 H new ATOM 0 HB2 HIS A 32 3.987 8.842 5.450 1.00 41.43 H new ATOM 0 HB3 HIS A 32 3.072 8.505 6.907 1.00 41.43 H new ATOM 0 HD2 HIS A 32 4.501 8.929 9.260 1.00 33.01 H new ATOM 0 HE1 HIS A 32 8.327 9.354 7.491 1.00 35.44 H new ATOM 0 HE2 HIS A 32 7.007 9.522 9.654 1.00 12.03 H new ATOM 535 N ILE A 33 2.432 5.047 5.009 1.00 0.24 N ATOM 536 CA ILE A 33 1.164 4.512 4.448 1.00 61.24 C ATOM 537 C ILE A 33 0.085 4.418 5.581 1.00 33.23 C ATOM 538 O ILE A 33 0.367 3.834 6.635 1.00 53.31 O ATOM 539 CB ILE A 33 1.347 3.076 3.801 1.00 24.05 C ATOM 540 CG1 ILE A 33 2.639 2.990 2.922 1.00 61.22 C ATOM 541 CG2 ILE A 33 0.091 2.684 2.974 1.00 15.42 C ATOM 542 CD1 ILE A 33 2.636 3.852 1.672 1.00 54.20 C ATOM 0 H ILE A 33 3.140 4.334 5.181 1.00 0.24 H new ATOM 0 HA ILE A 33 0.846 5.199 3.663 1.00 61.24 H new ATOM 0 HB ILE A 33 1.464 2.363 4.618 1.00 24.05 H new ATOM 0 HG12 ILE A 33 3.495 3.273 3.535 1.00 61.22 H new ATOM 0 HG13 ILE A 33 2.788 1.952 2.626 1.00 61.22 H new ATOM 0 HG21 ILE A 33 0.236 1.696 2.538 1.00 15.42 H new ATOM 0 HG22 ILE A 33 -0.783 2.669 3.625 1.00 15.42 H new ATOM 0 HG23 ILE A 33 -0.062 3.413 2.178 1.00 15.42 H new ATOM 0 HD11 ILE A 33 3.576 3.719 1.136 1.00 54.20 H new ATOM 0 HD12 ILE A 33 1.806 3.558 1.029 1.00 54.20 H new ATOM 0 HD13 ILE A 33 2.524 4.899 1.953 1.00 54.20 H new ATOM 554 N PRO A 34 -1.145 5.015 5.399 1.00 51.23 N ATOM 555 CA PRO A 34 -2.267 4.927 6.397 1.00 51.34 C ATOM 556 C PRO A 34 -2.706 3.479 6.786 1.00 3.20 C ATOM 557 O PRO A 34 -3.326 3.279 7.836 1.00 13.52 O ATOM 558 CB PRO A 34 -3.424 5.686 5.691 1.00 44.25 C ATOM 559 CG PRO A 34 -2.730 6.638 4.763 1.00 14.54 C ATOM 560 CD PRO A 34 -1.519 5.886 4.255 1.00 70.20 C ATOM 0 HA PRO A 34 -1.958 5.346 7.355 1.00 51.34 H new ATOM 0 HB2 PRO A 34 -4.074 5.002 5.146 1.00 44.25 H new ATOM 0 HB3 PRO A 34 -4.049 6.216 6.410 1.00 44.25 H new ATOM 0 HG2 PRO A 34 -3.383 6.934 3.942 1.00 14.54 H new ATOM 0 HG3 PRO A 34 -2.437 7.551 5.282 1.00 14.54 H new ATOM 0 HD2 PRO A 34 -1.754 5.301 3.366 1.00 70.20 H new ATOM 0 HD3 PRO A 34 -0.709 6.564 3.986 1.00 70.20 H new ATOM 568 N PHE A 35 -2.389 2.489 5.932 1.00 32.51 N ATOM 569 CA PHE A 35 -2.705 1.052 6.173 1.00 33.22 C ATOM 570 C PHE A 35 -1.432 0.169 6.002 1.00 64.13 C ATOM 571 O PHE A 35 -0.568 0.501 5.193 1.00 53.42 O ATOM 572 CB PHE A 35 -3.883 0.570 5.250 1.00 44.31 C ATOM 573 CG PHE A 35 -3.936 1.195 3.852 1.00 2.22 C ATOM 574 CD1 PHE A 35 -4.583 2.414 3.645 1.00 70.12 C ATOM 575 CD2 PHE A 35 -3.352 0.569 2.754 1.00 74.34 C ATOM 576 CE1 PHE A 35 -4.640 2.986 2.394 1.00 5.41 C ATOM 577 CE2 PHE A 35 -3.408 1.145 1.498 1.00 4.31 C ATOM 578 CZ PHE A 35 -4.053 2.350 1.316 1.00 13.44 C ATOM 0 H PHE A 35 -1.905 2.654 5.050 1.00 32.51 H new ATOM 0 HA PHE A 35 -3.041 0.943 7.204 1.00 33.22 H new ATOM 0 HB2 PHE A 35 -3.814 -0.512 5.141 1.00 44.31 H new ATOM 0 HB3 PHE A 35 -4.825 0.780 5.757 1.00 44.31 H new ATOM 0 HD1 PHE A 35 -5.047 2.917 4.480 1.00 70.12 H new ATOM 0 HD2 PHE A 35 -2.849 -0.378 2.885 1.00 74.34 H new ATOM 0 HE1 PHE A 35 -5.143 3.931 2.255 1.00 5.41 H new ATOM 0 HE2 PHE A 35 -2.945 0.650 0.657 1.00 4.31 H new ATOM 0 HZ PHE A 35 -4.100 2.796 0.333 1.00 13.44 H new ATOM 588 N PRO A 36 -1.287 -0.964 6.778 1.00 52.12 N ATOM 589 CA PRO A 36 -0.089 -1.853 6.693 1.00 25.31 C ATOM 590 C PRO A 36 -0.026 -2.647 5.361 1.00 61.14 C ATOM 591 O PRO A 36 -1.040 -2.796 4.676 1.00 43.04 O ATOM 592 CB PRO A 36 -0.275 -2.801 7.904 1.00 4.30 C ATOM 593 CG PRO A 36 -1.755 -2.872 8.097 1.00 31.02 C ATOM 594 CD PRO A 36 -2.261 -1.476 7.787 1.00 10.11 C ATOM 0 HA PRO A 36 0.846 -1.292 6.714 1.00 25.31 H new ATOM 0 HB2 PRO A 36 0.148 -3.786 7.706 1.00 4.30 H new ATOM 0 HB3 PRO A 36 0.223 -2.413 8.792 1.00 4.30 H new ATOM 0 HG2 PRO A 36 -2.204 -3.611 7.433 1.00 31.02 H new ATOM 0 HG3 PRO A 36 -2.006 -3.165 9.116 1.00 31.02 H new ATOM 0 HD2 PRO A 36 -3.276 -1.497 7.390 1.00 10.11 H new ATOM 0 HD3 PRO A 36 -2.281 -0.850 8.679 1.00 10.11 H new ATOM 602 N VAL A 37 1.166 -3.180 5.030 1.00 42.52 N ATOM 603 CA VAL A 37 1.421 -3.899 3.752 1.00 33.52 C ATOM 604 C VAL A 37 0.544 -5.158 3.602 1.00 12.43 C ATOM 605 O VAL A 37 0.158 -5.524 2.481 1.00 34.22 O ATOM 606 CB VAL A 37 2.938 -4.261 3.609 1.00 42.03 C ATOM 607 CG1 VAL A 37 3.229 -5.116 2.348 1.00 35.33 C ATOM 608 CG2 VAL A 37 3.776 -2.969 3.608 1.00 70.54 C ATOM 0 H VAL A 37 1.984 -3.128 5.637 1.00 42.52 H new ATOM 0 HA VAL A 37 1.146 -3.219 2.945 1.00 33.52 H new ATOM 0 HB VAL A 37 3.218 -4.876 4.464 1.00 42.03 H new ATOM 0 HG11 VAL A 37 4.295 -5.339 2.297 1.00 35.33 H new ATOM 0 HG12 VAL A 37 2.666 -6.048 2.402 1.00 35.33 H new ATOM 0 HG13 VAL A 37 2.931 -4.563 1.457 1.00 35.33 H new ATOM 0 HG21 VAL A 37 4.832 -3.220 3.509 1.00 70.54 H new ATOM 0 HG22 VAL A 37 3.473 -2.339 2.772 1.00 70.54 H new ATOM 0 HG23 VAL A 37 3.617 -2.432 4.543 1.00 70.54 H new ATOM 618 N GLU A 38 0.226 -5.799 4.739 1.00 3.51 N ATOM 619 CA GLU A 38 -0.796 -6.867 4.800 1.00 4.30 C ATOM 620 C GLU A 38 -2.112 -6.414 4.108 1.00 74.24 C ATOM 621 O GLU A 38 -2.639 -7.133 3.272 1.00 14.13 O ATOM 622 CB GLU A 38 -1.030 -7.286 6.283 1.00 21.10 C ATOM 623 CG GLU A 38 -2.194 -8.300 6.546 1.00 32.10 C ATOM 624 CD GLU A 38 -3.538 -7.622 6.926 1.00 70.13 C ATOM 625 OE1 GLU A 38 -3.670 -7.165 8.080 1.00 20.44 O ATOM 626 OE2 GLU A 38 -4.460 -7.544 6.081 1.00 73.42 O ATOM 0 H GLU A 38 0.664 -5.596 5.638 1.00 3.51 H new ATOM 0 HA GLU A 38 -0.437 -7.740 4.255 1.00 4.30 H new ATOM 0 HB2 GLU A 38 -0.106 -7.720 6.665 1.00 21.10 H new ATOM 0 HB3 GLU A 38 -1.224 -6.385 6.866 1.00 21.10 H new ATOM 0 HG2 GLU A 38 -2.343 -8.908 5.653 1.00 32.10 H new ATOM 0 HG3 GLU A 38 -1.900 -8.978 7.347 1.00 32.10 H new ATOM 633 N LYS A 39 -2.579 -5.188 4.432 1.00 52.11 N ATOM 634 CA LYS A 39 -3.783 -4.584 3.805 1.00 2.13 C ATOM 635 C LYS A 39 -3.575 -4.210 2.316 1.00 23.05 C ATOM 636 O LYS A 39 -4.507 -4.355 1.531 1.00 73.51 O ATOM 637 CB LYS A 39 -4.263 -3.347 4.613 1.00 45.41 C ATOM 638 CG LYS A 39 -4.965 -3.693 5.945 1.00 75.13 C ATOM 639 CD LYS A 39 -6.297 -4.466 5.725 1.00 12.23 C ATOM 640 CE LYS A 39 -6.994 -4.838 7.042 1.00 73.44 C ATOM 641 NZ LYS A 39 -6.138 -5.707 7.886 1.00 0.32 N ATOM 0 H LYS A 39 -2.138 -4.590 5.131 1.00 52.11 H new ATOM 0 HA LYS A 39 -4.556 -5.352 3.828 1.00 2.13 H new ATOM 0 HB2 LYS A 39 -3.405 -2.709 4.823 1.00 45.41 H new ATOM 0 HB3 LYS A 39 -4.948 -2.767 3.995 1.00 45.41 H new ATOM 0 HG2 LYS A 39 -4.296 -4.294 6.561 1.00 75.13 H new ATOM 0 HG3 LYS A 39 -5.167 -2.775 6.496 1.00 75.13 H new ATOM 0 HD2 LYS A 39 -6.970 -3.856 5.123 1.00 12.23 H new ATOM 0 HD3 LYS A 39 -6.095 -5.374 5.157 1.00 12.23 H new ATOM 0 HE2 LYS A 39 -7.245 -3.930 7.591 1.00 73.44 H new ATOM 0 HE3 LYS A 39 -7.932 -5.350 6.826 1.00 73.44 H new ATOM 0 HZ1 LYS A 39 -6.692 -6.062 8.692 1.00 0.32 H new ATOM 0 HZ2 LYS A 39 -5.794 -6.510 7.321 1.00 0.32 H new ATOM 0 HZ3 LYS A 39 -5.327 -5.159 8.238 1.00 0.32 H new ATOM 655 N ILE A 40 -2.366 -3.729 1.919 1.00 51.12 N ATOM 656 CA ILE A 40 -2.084 -3.429 0.477 1.00 14.43 C ATOM 657 C ILE A 40 -2.258 -4.702 -0.402 1.00 53.03 C ATOM 658 O ILE A 40 -2.723 -4.612 -1.536 1.00 74.22 O ATOM 659 CB ILE A 40 -0.654 -2.749 0.208 1.00 44.42 C ATOM 660 CG1 ILE A 40 -0.604 -1.257 0.712 1.00 23.14 C ATOM 661 CG2 ILE A 40 -0.242 -2.800 -1.298 1.00 34.25 C ATOM 662 CD1 ILE A 40 -0.240 -1.071 2.167 1.00 41.03 C ATOM 0 H ILE A 40 -1.588 -3.543 2.552 1.00 51.12 H new ATOM 0 HA ILE A 40 -2.825 -2.683 0.189 1.00 14.43 H new ATOM 0 HB ILE A 40 0.061 -3.339 0.781 1.00 44.42 H new ATOM 0 HG12 ILE A 40 0.116 -0.711 0.103 1.00 23.14 H new ATOM 0 HG13 ILE A 40 -1.579 -0.801 0.539 1.00 23.14 H new ATOM 0 HG21 ILE A 40 0.732 -2.327 -1.425 1.00 34.25 H new ATOM 0 HG22 ILE A 40 -0.187 -3.838 -1.625 1.00 34.25 H new ATOM 0 HG23 ILE A 40 -0.983 -2.270 -1.896 1.00 34.25 H new ATOM 0 HD11 ILE A 40 -0.235 -0.008 2.408 1.00 41.03 H new ATOM 0 HD12 ILE A 40 -0.972 -1.581 2.793 1.00 41.03 H new ATOM 0 HD13 ILE A 40 0.750 -1.489 2.351 1.00 41.03 H new ATOM 674 N ILE A 41 -1.913 -5.877 0.154 1.00 2.40 N ATOM 675 CA ILE A 41 -2.074 -7.180 -0.538 1.00 52.51 C ATOM 676 C ILE A 41 -3.522 -7.741 -0.383 1.00 64.12 C ATOM 677 O ILE A 41 -4.148 -8.170 -1.364 1.00 2.24 O ATOM 678 CB ILE A 41 -1.039 -8.239 0.019 1.00 73.22 C ATOM 679 CG1 ILE A 41 0.427 -7.707 -0.121 1.00 3.13 C ATOM 680 CG2 ILE A 41 -1.194 -9.619 -0.682 1.00 40.11 C ATOM 681 CD1 ILE A 41 1.506 -8.595 0.497 1.00 3.23 C ATOM 0 H ILE A 41 -1.516 -5.956 1.090 1.00 2.40 H new ATOM 0 HA ILE A 41 -1.883 -7.006 -1.597 1.00 52.51 H new ATOM 0 HB ILE A 41 -1.255 -8.384 1.077 1.00 73.22 H new ATOM 0 HG12 ILE A 41 0.649 -7.577 -1.180 1.00 3.13 H new ATOM 0 HG13 ILE A 41 0.484 -6.721 0.340 1.00 3.13 H new ATOM 0 HG21 ILE A 41 -0.466 -10.319 -0.272 1.00 40.11 H new ATOM 0 HG22 ILE A 41 -2.200 -10.002 -0.513 1.00 40.11 H new ATOM 0 HG23 ILE A 41 -1.024 -9.504 -1.753 1.00 40.11 H new ATOM 0 HD11 ILE A 41 2.484 -8.138 0.346 1.00 3.23 H new ATOM 0 HD12 ILE A 41 1.318 -8.706 1.565 1.00 3.23 H new ATOM 0 HD13 ILE A 41 1.487 -9.576 0.021 1.00 3.23 H new ATOM 693 N ASN A 42 -4.053 -7.701 0.860 1.00 10.54 N ATOM 694 CA ASN A 42 -5.278 -8.447 1.255 1.00 22.23 C ATOM 695 C ASN A 42 -6.575 -7.777 0.742 1.00 31.22 C ATOM 696 O ASN A 42 -7.520 -8.476 0.350 1.00 43.54 O ATOM 697 CB ASN A 42 -5.341 -8.602 2.802 1.00 62.13 C ATOM 698 CG ASN A 42 -6.377 -9.626 3.292 1.00 3.30 C ATOM 699 OD1 ASN A 42 -7.064 -9.411 4.282 1.00 42.03 O ATOM 700 ND2 ASN A 42 -6.454 -10.770 2.641 1.00 14.04 N ATOM 0 H ASN A 42 -3.648 -7.153 1.619 1.00 10.54 H new ATOM 0 HA ASN A 42 -5.213 -9.430 0.788 1.00 22.23 H new ATOM 0 HB2 ASN A 42 -4.357 -8.895 3.167 1.00 62.13 H new ATOM 0 HB3 ASN A 42 -5.569 -7.632 3.244 1.00 62.13 H new ATOM 0 HD21 ASN A 42 -7.095 -11.496 2.960 1.00 14.04 H new ATOM 0 HD22 ASN A 42 -5.872 -10.929 1.818 1.00 14.04 H new ATOM 707 N LEU A 43 -6.618 -6.429 0.784 1.00 14.11 N ATOM 708 CA LEU A 43 -7.759 -5.633 0.269 1.00 51.12 C ATOM 709 C LEU A 43 -7.962 -5.880 -1.258 1.00 53.44 C ATOM 710 O LEU A 43 -7.125 -5.466 -2.052 1.00 74.12 O ATOM 711 CB LEU A 43 -7.536 -4.115 0.556 1.00 3.04 C ATOM 712 CG LEU A 43 -7.659 -3.667 2.049 1.00 12.33 C ATOM 713 CD1 LEU A 43 -7.316 -2.165 2.225 1.00 44.35 C ATOM 714 CD2 LEU A 43 -9.065 -3.989 2.613 1.00 61.50 C ATOM 0 H LEU A 43 -5.867 -5.860 1.174 1.00 14.11 H new ATOM 0 HA LEU A 43 -8.663 -5.954 0.787 1.00 51.12 H new ATOM 0 HB2 LEU A 43 -6.544 -3.841 0.197 1.00 3.04 H new ATOM 0 HB3 LEU A 43 -8.256 -3.546 -0.032 1.00 3.04 H new ATOM 0 HG LEU A 43 -6.928 -4.237 2.623 1.00 12.33 H new ATOM 0 HD11 LEU A 43 -7.413 -1.890 3.275 1.00 44.35 H new ATOM 0 HD12 LEU A 43 -6.293 -1.984 1.895 1.00 44.35 H new ATOM 0 HD13 LEU A 43 -8.001 -1.563 1.628 1.00 44.35 H new ATOM 0 HD21 LEU A 43 -9.122 -3.667 3.653 1.00 61.50 H new ATOM 0 HD22 LEU A 43 -9.821 -3.464 2.028 1.00 61.50 H new ATOM 0 HD23 LEU A 43 -9.243 -5.063 2.556 1.00 61.50 H new ATOM 726 N PRO A 44 -9.075 -6.564 -1.684 1.00 0.15 N ATOM 727 CA PRO A 44 -9.302 -6.938 -3.118 1.00 44.53 C ATOM 728 C PRO A 44 -9.447 -5.710 -4.053 1.00 64.43 C ATOM 729 O PRO A 44 -9.830 -4.645 -3.594 1.00 41.22 O ATOM 730 CB PRO A 44 -10.609 -7.769 -3.058 1.00 62.25 C ATOM 731 CG PRO A 44 -11.294 -7.294 -1.816 1.00 43.20 C ATOM 732 CD PRO A 44 -10.198 -7.023 -0.822 1.00 60.22 C ATOM 0 HA PRO A 44 -8.457 -7.482 -3.540 1.00 44.53 H new ATOM 0 HB2 PRO A 44 -11.226 -7.603 -3.941 1.00 62.25 H new ATOM 0 HB3 PRO A 44 -10.399 -8.838 -3.012 1.00 62.25 H new ATOM 0 HG2 PRO A 44 -11.877 -6.394 -2.011 1.00 43.20 H new ATOM 0 HG3 PRO A 44 -11.987 -8.047 -1.439 1.00 43.20 H new ATOM 0 HD2 PRO A 44 -10.488 -6.262 -0.097 1.00 60.22 H new ATOM 0 HD3 PRO A 44 -9.935 -7.917 -0.257 1.00 60.22 H new ATOM 740 N VAL A 45 -9.192 -5.915 -5.370 1.00 63.51 N ATOM 741 CA VAL A 45 -9.051 -4.828 -6.395 1.00 1.12 C ATOM 742 C VAL A 45 -10.101 -3.684 -6.259 1.00 5.31 C ATOM 743 O VAL A 45 -9.736 -2.507 -6.223 1.00 21.13 O ATOM 744 CB VAL A 45 -9.104 -5.419 -7.861 1.00 1.10 C ATOM 745 CG1 VAL A 45 -8.936 -4.323 -8.949 1.00 74.33 C ATOM 746 CG2 VAL A 45 -8.053 -6.540 -8.045 1.00 34.33 C ATOM 0 H VAL A 45 -9.076 -6.849 -5.764 1.00 63.51 H new ATOM 0 HA VAL A 45 -8.074 -4.384 -6.204 1.00 1.12 H new ATOM 0 HB VAL A 45 -10.097 -5.848 -7.991 1.00 1.10 H new ATOM 0 HG11 VAL A 45 -8.980 -4.781 -9.937 1.00 74.33 H new ATOM 0 HG12 VAL A 45 -9.737 -3.590 -8.853 1.00 74.33 H new ATOM 0 HG13 VAL A 45 -7.973 -3.828 -8.821 1.00 74.33 H new ATOM 0 HG21 VAL A 45 -8.110 -6.929 -9.061 1.00 34.33 H new ATOM 0 HG22 VAL A 45 -7.056 -6.137 -7.867 1.00 34.33 H new ATOM 0 HG23 VAL A 45 -8.251 -7.344 -7.337 1.00 34.33 H new ATOM 756 N VAL A 46 -11.389 -4.044 -6.155 1.00 31.21 N ATOM 757 CA VAL A 46 -12.482 -3.055 -5.990 1.00 60.55 C ATOM 758 C VAL A 46 -12.349 -2.273 -4.654 1.00 2.05 C ATOM 759 O VAL A 46 -12.194 -1.059 -4.655 1.00 1.11 O ATOM 760 CB VAL A 46 -13.893 -3.753 -6.078 1.00 73.11 C ATOM 761 CG1 VAL A 46 -15.057 -2.751 -5.863 1.00 55.33 C ATOM 762 CG2 VAL A 46 -14.052 -4.502 -7.422 1.00 64.13 C ATOM 0 H VAL A 46 -11.707 -5.013 -6.182 1.00 31.21 H new ATOM 0 HA VAL A 46 -12.397 -2.339 -6.808 1.00 60.55 H new ATOM 0 HB VAL A 46 -13.943 -4.480 -5.267 1.00 73.11 H new ATOM 0 HG11 VAL A 46 -16.008 -3.278 -5.933 1.00 55.33 H new ATOM 0 HG12 VAL A 46 -14.967 -2.294 -4.877 1.00 55.33 H new ATOM 0 HG13 VAL A 46 -15.015 -1.975 -6.628 1.00 55.33 H new ATOM 0 HG21 VAL A 46 -15.033 -4.976 -7.461 1.00 64.13 H new ATOM 0 HG22 VAL A 46 -13.958 -3.795 -8.246 1.00 64.13 H new ATOM 0 HG23 VAL A 46 -13.277 -5.264 -7.508 1.00 64.13 H new ATOM 772 N ASP A 47 -12.352 -3.007 -3.525 1.00 11.43 N ATOM 773 CA ASP A 47 -12.273 -2.425 -2.154 1.00 55.11 C ATOM 774 C ASP A 47 -11.001 -1.557 -1.939 1.00 40.01 C ATOM 775 O ASP A 47 -11.035 -0.539 -1.241 1.00 42.40 O ATOM 776 CB ASP A 47 -12.300 -3.571 -1.113 1.00 72.45 C ATOM 777 CG ASP A 47 -13.609 -4.376 -1.140 1.00 25.25 C ATOM 778 OD1 ASP A 47 -13.866 -5.088 -2.141 1.00 71.33 O ATOM 779 OD2 ASP A 47 -14.392 -4.296 -0.169 1.00 55.02 O ATOM 0 H ASP A 47 -12.409 -4.025 -3.529 1.00 11.43 H new ATOM 0 HA ASP A 47 -13.133 -1.767 -2.029 1.00 55.11 H new ATOM 0 HB2 ASP A 47 -11.463 -4.243 -1.299 1.00 72.45 H new ATOM 0 HB3 ASP A 47 -12.158 -3.153 -0.117 1.00 72.45 H new ATOM 784 N PHE A 48 -9.897 -1.988 -2.558 1.00 61.15 N ATOM 785 CA PHE A 48 -8.570 -1.364 -2.433 1.00 55.05 C ATOM 786 C PHE A 48 -8.490 -0.035 -3.222 1.00 55.11 C ATOM 787 O PHE A 48 -8.186 1.017 -2.652 1.00 32.30 O ATOM 788 CB PHE A 48 -7.491 -2.368 -2.929 1.00 22.15 C ATOM 789 CG PHE A 48 -6.043 -1.953 -2.670 1.00 74.00 C ATOM 790 CD1 PHE A 48 -5.668 -1.424 -1.433 1.00 65.13 C ATOM 791 CD2 PHE A 48 -5.062 -2.091 -3.653 1.00 63.02 C ATOM 792 CE1 PHE A 48 -4.369 -1.044 -1.192 1.00 23.12 C ATOM 793 CE2 PHE A 48 -3.759 -1.710 -3.405 1.00 3.34 C ATOM 794 CZ PHE A 48 -3.415 -1.188 -2.174 1.00 41.22 C ATOM 0 H PHE A 48 -9.898 -2.800 -3.175 1.00 61.15 H new ATOM 0 HA PHE A 48 -8.391 -1.122 -1.385 1.00 55.05 H new ATOM 0 HB2 PHE A 48 -7.667 -3.331 -2.449 1.00 22.15 H new ATOM 0 HB3 PHE A 48 -7.623 -2.517 -4.001 1.00 22.15 H new ATOM 0 HD1 PHE A 48 -6.409 -1.312 -0.655 1.00 65.13 H new ATOM 0 HD2 PHE A 48 -5.325 -2.500 -4.617 1.00 63.02 H new ATOM 0 HE1 PHE A 48 -4.097 -0.632 -0.231 1.00 23.12 H new ATOM 0 HE2 PHE A 48 -3.008 -1.820 -4.174 1.00 3.34 H new ATOM 0 HZ PHE A 48 -2.395 -0.892 -1.981 1.00 41.22 H new ATOM 804 N ASN A 49 -8.784 -0.100 -4.535 1.00 31.43 N ATOM 805 CA ASN A 49 -8.703 1.072 -5.443 1.00 25.42 C ATOM 806 C ASN A 49 -9.817 2.122 -5.174 1.00 32.51 C ATOM 807 O ASN A 49 -9.609 3.316 -5.407 1.00 74.01 O ATOM 808 CB ASN A 49 -8.712 0.597 -6.918 1.00 20.23 C ATOM 809 CG ASN A 49 -7.381 -0.045 -7.341 1.00 63.34 C ATOM 810 OD1 ASN A 49 -6.471 0.634 -7.805 1.00 23.54 O ATOM 811 ND2 ASN A 49 -7.230 -1.340 -7.154 1.00 53.44 N ATOM 0 H ASN A 49 -9.083 -0.958 -4.998 1.00 31.43 H new ATOM 0 HA ASN A 49 -7.761 1.582 -5.240 1.00 25.42 H new ATOM 0 HB2 ASN A 49 -9.519 -0.122 -7.059 1.00 20.23 H new ATOM 0 HB3 ASN A 49 -8.924 1.446 -7.568 1.00 20.23 H new ATOM 0 HD21 ASN A 49 -6.348 -1.791 -7.396 1.00 53.44 H new ATOM 0 HD22 ASN A 49 -7.995 -1.892 -6.767 1.00 53.44 H new ATOM 818 N GLU A 50 -10.987 1.667 -4.685 1.00 71.15 N ATOM 819 CA GLU A 50 -12.087 2.568 -4.238 1.00 1.20 C ATOM 820 C GLU A 50 -11.762 3.260 -2.889 1.00 33.24 C ATOM 821 O GLU A 50 -12.293 4.335 -2.603 1.00 51.52 O ATOM 822 CB GLU A 50 -13.448 1.795 -4.167 1.00 30.32 C ATOM 823 CG GLU A 50 -14.287 1.800 -5.475 1.00 72.54 C ATOM 824 CD GLU A 50 -13.556 1.281 -6.734 1.00 74.50 C ATOM 825 OE1 GLU A 50 -12.862 2.076 -7.415 1.00 3.04 O ATOM 826 OE2 GLU A 50 -13.700 0.088 -7.072 1.00 10.42 O ATOM 0 H GLU A 50 -11.203 0.675 -4.586 1.00 71.15 H new ATOM 0 HA GLU A 50 -12.183 3.357 -4.984 1.00 1.20 H new ATOM 0 HB2 GLU A 50 -13.245 0.761 -3.890 1.00 30.32 H new ATOM 0 HB3 GLU A 50 -14.050 2.227 -3.368 1.00 30.32 H new ATOM 0 HG2 GLU A 50 -15.178 1.193 -5.317 1.00 72.54 H new ATOM 0 HG3 GLU A 50 -14.625 2.819 -5.666 1.00 72.54 H new ATOM 833 N MET A 51 -10.904 2.630 -2.066 1.00 32.04 N ATOM 834 CA MET A 51 -10.378 3.254 -0.824 1.00 31.51 C ATOM 835 C MET A 51 -9.316 4.334 -1.166 1.00 22.02 C ATOM 836 O MET A 51 -9.280 5.419 -0.572 1.00 32.55 O ATOM 837 CB MET A 51 -9.769 2.162 0.100 1.00 62.51 C ATOM 838 CG MET A 51 -9.278 2.661 1.470 1.00 31.34 C ATOM 839 SD MET A 51 -8.580 1.330 2.475 1.00 44.35 S ATOM 840 CE MET A 51 -8.250 2.170 4.028 1.00 51.41 C ATOM 0 H MET A 51 -10.556 1.686 -2.234 1.00 32.04 H new ATOM 0 HA MET A 51 -11.200 3.740 -0.298 1.00 31.51 H new ATOM 0 HB2 MET A 51 -10.518 1.386 0.261 1.00 62.51 H new ATOM 0 HB3 MET A 51 -8.932 1.695 -0.419 1.00 62.51 H new ATOM 0 HG2 MET A 51 -8.525 3.436 1.324 1.00 31.34 H new ATOM 0 HG3 MET A 51 -10.109 3.121 2.006 1.00 31.34 H new ATOM 0 HE1 MET A 51 -7.818 1.465 4.738 1.00 51.41 H new ATOM 0 HE2 MET A 51 -7.551 2.988 3.858 1.00 51.41 H new ATOM 0 HE3 MET A 51 -9.181 2.567 4.432 1.00 51.41 H new ATOM 850 N MET A 52 -8.443 3.990 -2.123 1.00 61.50 N ATOM 851 CA MET A 52 -7.379 4.881 -2.633 1.00 11.00 C ATOM 852 C MET A 52 -7.886 5.956 -3.638 1.00 42.21 C ATOM 853 O MET A 52 -7.114 6.830 -3.995 1.00 44.54 O ATOM 854 CB MET A 52 -6.256 4.043 -3.296 1.00 63.23 C ATOM 855 CG MET A 52 -5.596 3.000 -2.384 1.00 24.45 C ATOM 856 SD MET A 52 -4.188 2.191 -3.174 1.00 52.12 S ATOM 857 CE MET A 52 -4.902 1.559 -4.697 1.00 64.53 C ATOM 0 H MET A 52 -8.452 3.075 -2.573 1.00 61.50 H new ATOM 0 HA MET A 52 -6.997 5.420 -1.766 1.00 11.00 H new ATOM 0 HB2 MET A 52 -6.670 3.532 -4.165 1.00 63.23 H new ATOM 0 HB3 MET A 52 -5.486 4.722 -3.662 1.00 63.23 H new ATOM 0 HG2 MET A 52 -5.266 3.482 -1.464 1.00 24.45 H new ATOM 0 HG3 MET A 52 -6.333 2.248 -2.103 1.00 24.45 H new ATOM 0 HE1 MET A 52 -4.164 0.950 -5.220 1.00 64.53 H new ATOM 0 HE2 MET A 52 -5.775 0.950 -4.464 1.00 64.53 H new ATOM 0 HE3 MET A 52 -5.200 2.393 -5.332 1.00 64.53 H new ATOM 867 N SER A 53 -9.163 5.871 -4.083 1.00 63.53 N ATOM 868 CA SER A 53 -9.700 6.657 -5.248 1.00 64.51 C ATOM 869 C SER A 53 -9.477 8.194 -5.156 1.00 65.52 C ATOM 870 O SER A 53 -9.138 8.835 -6.160 1.00 11.42 O ATOM 871 CB SER A 53 -11.209 6.366 -5.437 1.00 74.04 C ATOM 872 OG SER A 53 -11.738 7.028 -6.583 1.00 33.40 O ATOM 0 H SER A 53 -9.858 5.260 -3.653 1.00 63.53 H new ATOM 0 HA SER A 53 -9.125 6.320 -6.111 1.00 64.51 H new ATOM 0 HB2 SER A 53 -11.362 5.291 -5.536 1.00 74.04 H new ATOM 0 HB3 SER A 53 -11.754 6.685 -4.549 1.00 74.04 H new ATOM 0 HG SER A 53 -12.692 6.819 -6.670 1.00 33.40 H new ATOM 878 N LYS A 54 -9.685 8.770 -3.959 1.00 50.22 N ATOM 879 CA LYS A 54 -9.470 10.221 -3.705 1.00 3.43 C ATOM 880 C LYS A 54 -7.960 10.600 -3.728 1.00 35.50 C ATOM 881 O LYS A 54 -7.599 11.709 -4.136 1.00 32.24 O ATOM 882 CB LYS A 54 -10.104 10.612 -2.342 1.00 11.22 C ATOM 883 CG LYS A 54 -11.647 10.445 -2.281 1.00 42.44 C ATOM 884 CD LYS A 54 -12.241 10.733 -0.875 1.00 73.33 C ATOM 885 CE LYS A 54 -11.973 12.165 -0.384 1.00 2.13 C ATOM 886 NZ LYS A 54 -12.600 12.430 0.941 1.00 42.25 N ATOM 0 H LYS A 54 -10.005 8.254 -3.140 1.00 50.22 H new ATOM 0 HA LYS A 54 -9.954 10.777 -4.508 1.00 3.43 H new ATOM 0 HB2 LYS A 54 -9.654 10.004 -1.558 1.00 11.22 H new ATOM 0 HB3 LYS A 54 -9.854 11.650 -2.123 1.00 11.22 H new ATOM 0 HG2 LYS A 54 -12.107 11.116 -3.007 1.00 42.44 H new ATOM 0 HG3 LYS A 54 -11.907 9.429 -2.577 1.00 42.44 H new ATOM 0 HD2 LYS A 54 -13.317 10.560 -0.900 1.00 73.33 H new ATOM 0 HD3 LYS A 54 -11.821 10.026 -0.159 1.00 73.33 H new ATOM 0 HE2 LYS A 54 -10.898 12.329 -0.315 1.00 2.13 H new ATOM 0 HE3 LYS A 54 -12.357 12.876 -1.115 1.00 2.13 H new ATOM 0 HZ1 LYS A 54 -12.394 13.407 1.233 1.00 42.25 H new ATOM 0 HZ2 LYS A 54 -13.629 12.300 0.870 1.00 42.25 H new ATOM 0 HZ3 LYS A 54 -12.215 11.769 1.646 1.00 42.25 H new ATOM 900 N GLU A 55 -7.115 9.645 -3.294 1.00 12.22 N ATOM 901 CA GLU A 55 -5.641 9.782 -3.199 1.00 62.34 C ATOM 902 C GLU A 55 -5.201 10.947 -2.274 1.00 40.10 C ATOM 903 O GLU A 55 -4.919 12.060 -2.733 1.00 54.35 O ATOM 904 CB GLU A 55 -4.953 9.903 -4.597 1.00 11.44 C ATOM 905 CG GLU A 55 -5.240 8.748 -5.575 1.00 73.24 C ATOM 906 CD GLU A 55 -4.438 8.843 -6.888 1.00 31.40 C ATOM 907 OE1 GLU A 55 -4.697 9.777 -7.683 1.00 72.05 O ATOM 908 OE2 GLU A 55 -3.550 7.989 -7.129 1.00 62.23 O ATOM 0 H GLU A 55 -7.444 8.729 -2.990 1.00 12.22 H new ATOM 0 HA GLU A 55 -5.300 8.853 -2.742 1.00 62.34 H new ATOM 0 HB2 GLU A 55 -5.271 10.837 -5.060 1.00 11.44 H new ATOM 0 HB3 GLU A 55 -3.875 9.972 -4.448 1.00 11.44 H new ATOM 0 HG2 GLU A 55 -5.010 7.802 -5.085 1.00 73.24 H new ATOM 0 HG3 GLU A 55 -6.305 8.736 -5.808 1.00 73.24 H new ATOM 915 N GLN A 56 -5.172 10.678 -0.958 1.00 13.51 N ATOM 916 CA GLN A 56 -4.564 11.587 0.052 1.00 62.13 C ATOM 917 C GLN A 56 -3.060 11.243 0.275 1.00 43.03 C ATOM 918 O GLN A 56 -2.414 11.782 1.182 1.00 4.31 O ATOM 919 CB GLN A 56 -5.345 11.476 1.391 1.00 61.40 C ATOM 920 CG GLN A 56 -6.816 11.940 1.318 1.00 10.44 C ATOM 921 CD GLN A 56 -7.552 11.847 2.661 1.00 11.34 C ATOM 922 OE1 GLN A 56 -7.286 10.972 3.478 1.00 12.33 O ATOM 923 NE2 GLN A 56 -8.472 12.752 2.907 1.00 42.21 N ATOM 0 H GLN A 56 -5.566 9.828 -0.556 1.00 13.51 H new ATOM 0 HA GLN A 56 -4.625 12.611 -0.318 1.00 62.13 H new ATOM 0 HB2 GLN A 56 -5.321 10.439 1.725 1.00 61.40 H new ATOM 0 HB3 GLN A 56 -4.829 12.067 2.148 1.00 61.40 H new ATOM 0 HG2 GLN A 56 -6.847 12.971 0.966 1.00 10.44 H new ATOM 0 HG3 GLN A 56 -7.344 11.335 0.580 1.00 10.44 H new ATOM 0 HE21 GLN A 56 -8.678 13.471 2.214 1.00 42.21 H new ATOM 0 HE22 GLN A 56 -8.980 12.735 3.791 1.00 42.21 H new ATOM 932 N PHE A 57 -2.524 10.354 -0.584 1.00 53.45 N ATOM 933 CA PHE A 57 -1.152 9.813 -0.478 1.00 52.13 C ATOM 934 C PHE A 57 -0.131 10.737 -1.182 1.00 23.51 C ATOM 935 O PHE A 57 -0.510 11.631 -1.945 1.00 74.24 O ATOM 936 CB PHE A 57 -1.106 8.396 -1.121 1.00 72.23 C ATOM 937 CG PHE A 57 -2.240 7.473 -0.669 1.00 71.31 C ATOM 938 CD1 PHE A 57 -2.163 6.780 0.533 1.00 40.45 C ATOM 939 CD2 PHE A 57 -3.402 7.334 -1.438 1.00 54.10 C ATOM 940 CE1 PHE A 57 -3.202 5.971 0.949 1.00 15.53 C ATOM 941 CE2 PHE A 57 -4.433 6.525 -1.022 1.00 42.23 C ATOM 942 CZ PHE A 57 -4.339 5.847 0.174 1.00 0.43 C ATOM 0 H PHE A 57 -3.039 9.985 -1.384 1.00 53.45 H new ATOM 0 HA PHE A 57 -0.885 9.753 0.577 1.00 52.13 H new ATOM 0 HB2 PHE A 57 -1.144 8.498 -2.205 1.00 72.23 H new ATOM 0 HB3 PHE A 57 -0.152 7.929 -0.879 1.00 72.23 H new ATOM 0 HD1 PHE A 57 -1.281 6.875 1.149 1.00 40.45 H new ATOM 0 HD2 PHE A 57 -3.490 7.870 -2.371 1.00 54.10 H new ATOM 0 HE1 PHE A 57 -3.126 5.434 1.883 1.00 15.53 H new ATOM 0 HE2 PHE A 57 -5.317 6.421 -1.633 1.00 42.23 H new ATOM 0 HZ PHE A 57 -5.153 5.219 0.505 1.00 0.43 H new ATOM 952 N ASN A 58 1.165 10.508 -0.919 1.00 25.45 N ATOM 953 CA ASN A 58 2.271 11.189 -1.631 1.00 33.31 C ATOM 954 C ASN A 58 2.789 10.331 -2.812 1.00 42.31 C ATOM 955 O ASN A 58 2.425 9.160 -2.944 1.00 3.12 O ATOM 956 CB ASN A 58 3.413 11.510 -0.633 1.00 24.15 C ATOM 957 CG ASN A 58 2.994 12.548 0.418 1.00 41.11 C ATOM 958 OD1 ASN A 58 3.193 13.743 0.246 1.00 2.25 O ATOM 959 ND2 ASN A 58 2.376 12.101 1.493 1.00 31.42 N ATOM 0 H ASN A 58 1.481 9.848 -0.209 1.00 25.45 H new ATOM 0 HA ASN A 58 1.896 12.123 -2.050 1.00 33.31 H new ATOM 0 HB2 ASN A 58 3.723 10.593 -0.131 1.00 24.15 H new ATOM 0 HB3 ASN A 58 4.279 11.881 -1.182 1.00 24.15 H new ATOM 0 HD21 ASN A 58 2.052 12.756 2.204 1.00 31.42 H new ATOM 0 HD22 ASN A 58 2.222 11.100 1.613 1.00 31.42 H new ATOM 966 N GLU A 59 3.639 10.942 -3.663 1.00 41.23 N ATOM 967 CA GLU A 59 4.251 10.276 -4.852 1.00 41.51 C ATOM 968 C GLU A 59 4.993 8.950 -4.499 1.00 64.30 C ATOM 969 O GLU A 59 4.893 7.959 -5.231 1.00 54.30 O ATOM 970 CB GLU A 59 5.185 11.275 -5.633 1.00 2.21 C ATOM 971 CG GLU A 59 5.953 12.335 -4.789 1.00 41.55 C ATOM 972 CD GLU A 59 6.929 11.763 -3.740 1.00 32.44 C ATOM 973 OE1 GLU A 59 8.020 11.287 -4.124 1.00 61.20 O ATOM 974 OE2 GLU A 59 6.588 11.752 -2.531 1.00 64.51 O ATOM 0 H GLU A 59 3.927 11.914 -3.552 1.00 41.23 H new ATOM 0 HA GLU A 59 3.429 9.989 -5.508 1.00 41.51 H new ATOM 0 HB2 GLU A 59 5.918 10.689 -6.188 1.00 2.21 H new ATOM 0 HB3 GLU A 59 4.577 11.803 -6.367 1.00 2.21 H new ATOM 0 HG2 GLU A 59 6.512 12.980 -5.467 1.00 41.55 H new ATOM 0 HG3 GLU A 59 5.225 12.965 -4.278 1.00 41.55 H new ATOM 981 N ALA A 60 5.700 8.940 -3.353 1.00 15.42 N ATOM 982 CA ALA A 60 6.453 7.763 -2.868 1.00 60.14 C ATOM 983 C ALA A 60 5.512 6.683 -2.282 1.00 73.42 C ATOM 984 O ALA A 60 5.775 5.481 -2.415 1.00 50.22 O ATOM 985 CB ALA A 60 7.487 8.204 -1.825 1.00 31.55 C ATOM 0 H ALA A 60 5.766 9.749 -2.735 1.00 15.42 H new ATOM 0 HA ALA A 60 6.968 7.315 -3.718 1.00 60.14 H new ATOM 0 HB1 ALA A 60 8.040 7.334 -1.470 1.00 31.55 H new ATOM 0 HB2 ALA A 60 8.179 8.914 -2.277 1.00 31.55 H new ATOM 0 HB3 ALA A 60 6.978 8.678 -0.986 1.00 31.55 H new ATOM 991 N GLN A 61 4.416 7.132 -1.642 1.00 73.52 N ATOM 992 CA GLN A 61 3.378 6.240 -1.078 1.00 72.15 C ATOM 993 C GLN A 61 2.639 5.462 -2.186 1.00 54.22 C ATOM 994 O GLN A 61 2.471 4.244 -2.085 1.00 3.24 O ATOM 995 CB GLN A 61 2.372 7.058 -0.224 1.00 24.51 C ATOM 996 CG GLN A 61 2.981 7.632 1.068 1.00 74.02 C ATOM 997 CD GLN A 61 2.020 8.464 1.920 1.00 33.41 C ATOM 998 OE1 GLN A 61 2.562 9.373 2.710 1.00 53.14 O flip ATOM 999 NE2 GLN A 61 0.810 8.275 1.896 1.00 43.44 N flip ATOM 0 H GLN A 61 4.222 8.123 -1.500 1.00 73.52 H new ATOM 0 HA GLN A 61 3.875 5.511 -0.437 1.00 72.15 H new ATOM 0 HB2 GLN A 61 1.980 7.878 -0.826 1.00 24.51 H new ATOM 0 HB3 GLN A 61 1.527 6.421 0.035 1.00 24.51 H new ATOM 0 HG2 GLN A 61 3.358 6.807 1.672 1.00 74.02 H new ATOM 0 HG3 GLN A 61 3.838 8.251 0.804 1.00 74.02 H new ATOM 0 HE21 GLN A 61 0.417 7.567 1.277 1.00 43.44 H new ATOM 0 HE22 GLN A 61 0.196 8.826 2.495 1.00 43.44 H new ATOM 1008 N LEU A 62 2.219 6.185 -3.239 1.00 45.23 N ATOM 1009 CA LEU A 62 1.588 5.585 -4.432 1.00 34.02 C ATOM 1010 C LEU A 62 2.536 4.566 -5.103 1.00 14.21 C ATOM 1011 O LEU A 62 2.144 3.431 -5.370 1.00 30.23 O ATOM 1012 CB LEU A 62 1.184 6.691 -5.441 1.00 60.34 C ATOM 1013 CG LEU A 62 0.106 7.707 -4.942 1.00 53.32 C ATOM 1014 CD1 LEU A 62 -0.130 8.835 -5.974 1.00 4.03 C ATOM 1015 CD2 LEU A 62 -1.218 6.990 -4.590 1.00 35.33 C ATOM 0 H LEU A 62 2.306 7.200 -3.289 1.00 45.23 H new ATOM 0 HA LEU A 62 0.690 5.056 -4.113 1.00 34.02 H new ATOM 0 HB2 LEU A 62 2.079 7.247 -5.719 1.00 60.34 H new ATOM 0 HB3 LEU A 62 0.813 6.212 -6.347 1.00 60.34 H new ATOM 0 HG LEU A 62 0.489 8.168 -4.032 1.00 53.32 H new ATOM 0 HD11 LEU A 62 -0.885 9.523 -5.595 1.00 4.03 H new ATOM 0 HD12 LEU A 62 0.802 9.375 -6.142 1.00 4.03 H new ATOM 0 HD13 LEU A 62 -0.473 8.402 -6.914 1.00 4.03 H new ATOM 0 HD21 LEU A 62 -1.948 7.723 -4.246 1.00 35.33 H new ATOM 0 HD22 LEU A 62 -1.603 6.482 -5.474 1.00 35.33 H new ATOM 0 HD23 LEU A 62 -1.038 6.260 -3.801 1.00 35.33 H new ATOM 1027 N ALA A 63 3.800 4.988 -5.320 1.00 33.21 N ATOM 1028 CA ALA A 63 4.856 4.137 -5.916 1.00 14.24 C ATOM 1029 C ALA A 63 5.058 2.813 -5.138 1.00 30.35 C ATOM 1030 O ALA A 63 5.225 1.753 -5.750 1.00 42.34 O ATOM 1031 CB ALA A 63 6.171 4.921 -6.011 1.00 14.01 C ATOM 0 H ALA A 63 4.119 5.929 -5.087 1.00 33.21 H new ATOM 0 HA ALA A 63 4.529 3.862 -6.919 1.00 14.24 H new ATOM 0 HB1 ALA A 63 6.941 4.287 -6.450 1.00 14.01 H new ATOM 0 HB2 ALA A 63 6.025 5.802 -6.637 1.00 14.01 H new ATOM 0 HB3 ALA A 63 6.482 5.232 -5.014 1.00 14.01 H new ATOM 1037 N LEU A 64 5.007 2.891 -3.788 1.00 13.23 N ATOM 1038 CA LEU A 64 5.135 1.705 -2.907 1.00 60.22 C ATOM 1039 C LEU A 64 3.929 0.738 -3.055 1.00 64.51 C ATOM 1040 O LEU A 64 4.114 -0.472 -3.100 1.00 1.42 O ATOM 1041 CB LEU A 64 5.289 2.119 -1.417 1.00 34.41 C ATOM 1042 CG LEU A 64 5.683 0.955 -0.446 1.00 71.34 C ATOM 1043 CD1 LEU A 64 7.074 0.376 -0.799 1.00 62.51 C ATOM 1044 CD2 LEU A 64 5.623 1.388 1.036 1.00 45.32 C ATOM 0 H LEU A 64 4.877 3.767 -3.282 1.00 13.23 H new ATOM 0 HA LEU A 64 6.037 1.182 -3.225 1.00 60.22 H new ATOM 0 HB2 LEU A 64 6.045 2.901 -1.349 1.00 34.41 H new ATOM 0 HB3 LEU A 64 4.349 2.554 -1.077 1.00 34.41 H new ATOM 0 HG LEU A 64 4.943 0.166 -0.581 1.00 71.34 H new ATOM 0 HD11 LEU A 64 7.319 -0.430 -0.107 1.00 62.51 H new ATOM 0 HD12 LEU A 64 7.059 -0.012 -1.817 1.00 62.51 H new ATOM 0 HD13 LEU A 64 7.826 1.162 -0.721 1.00 62.51 H new ATOM 0 HD21 LEU A 64 5.904 0.549 1.672 1.00 45.32 H new ATOM 0 HD22 LEU A 64 6.313 2.216 1.201 1.00 45.32 H new ATOM 0 HD23 LEU A 64 4.610 1.706 1.281 1.00 45.32 H new ATOM 1056 N ILE A 65 2.709 1.300 -3.133 1.00 14.52 N ATOM 1057 CA ILE A 65 1.449 0.526 -3.312 1.00 43.53 C ATOM 1058 C ILE A 65 1.516 -0.410 -4.558 1.00 10.31 C ATOM 1059 O ILE A 65 1.208 -1.608 -4.467 1.00 72.02 O ATOM 1060 CB ILE A 65 0.220 1.519 -3.417 1.00 1.01 C ATOM 1061 CG1 ILE A 65 -0.040 2.228 -2.040 1.00 11.44 C ATOM 1062 CG2 ILE A 65 -1.062 0.826 -3.948 1.00 51.10 C ATOM 1063 CD1 ILE A 65 -1.076 3.350 -2.068 1.00 11.15 C ATOM 0 H ILE A 65 2.560 2.307 -3.074 1.00 14.52 H new ATOM 0 HA ILE A 65 1.317 -0.114 -2.440 1.00 43.53 H new ATOM 0 HB ILE A 65 0.484 2.280 -4.151 1.00 1.01 H new ATOM 0 HG12 ILE A 65 -0.362 1.477 -1.319 1.00 11.44 H new ATOM 0 HG13 ILE A 65 0.903 2.636 -1.676 1.00 11.44 H new ATOM 0 HG21 ILE A 65 -1.873 1.552 -4.000 1.00 51.10 H new ATOM 0 HG22 ILE A 65 -0.872 0.422 -4.942 1.00 51.10 H new ATOM 0 HG23 ILE A 65 -1.343 0.016 -3.275 1.00 51.10 H new ATOM 0 HD11 ILE A 65 -1.181 3.773 -1.069 1.00 11.15 H new ATOM 0 HD12 ILE A 65 -0.751 4.128 -2.759 1.00 11.15 H new ATOM 0 HD13 ILE A 65 -2.036 2.951 -2.396 1.00 11.15 H new ATOM 1075 N ARG A 66 1.949 0.151 -5.704 1.00 74.22 N ATOM 1076 CA ARG A 66 2.101 -0.606 -6.978 1.00 20.24 C ATOM 1077 C ARG A 66 3.298 -1.595 -6.902 1.00 25.31 C ATOM 1078 O ARG A 66 3.233 -2.703 -7.446 1.00 70.31 O ATOM 1079 CB ARG A 66 2.268 0.358 -8.199 1.00 25.34 C ATOM 1080 CG ARG A 66 0.991 1.139 -8.630 1.00 25.35 C ATOM 1081 CD ARG A 66 0.509 2.147 -7.576 1.00 64.11 C ATOM 1082 NE ARG A 66 -0.666 2.917 -8.006 1.00 14.22 N ATOM 1083 CZ ARG A 66 -1.408 3.680 -7.230 1.00 30.13 C ATOM 1084 NH1 ARG A 66 -1.190 3.772 -5.948 1.00 11.30 N ATOM 1085 NH2 ARG A 66 -2.380 4.355 -7.743 1.00 64.22 N ATOM 0 H ARG A 66 2.204 1.136 -5.781 1.00 74.22 H new ATOM 0 HA ARG A 66 1.187 -1.182 -7.124 1.00 20.24 H new ATOM 0 HB2 ARG A 66 3.049 1.080 -7.963 1.00 25.34 H new ATOM 0 HB3 ARG A 66 2.619 -0.224 -9.051 1.00 25.34 H new ATOM 0 HG2 ARG A 66 1.194 1.667 -9.561 1.00 25.35 H new ATOM 0 HG3 ARG A 66 0.191 0.428 -8.835 1.00 25.35 H new ATOM 0 HD2 ARG A 66 0.269 1.614 -6.656 1.00 64.11 H new ATOM 0 HD3 ARG A 66 1.321 2.836 -7.343 1.00 64.11 H new ATOM 0 HE ARG A 66 -0.930 2.855 -8.989 1.00 14.22 H new ATOM 0 HH11 ARG A 66 -0.428 3.245 -5.521 1.00 11.30 H new ATOM 0 HH12 ARG A 66 -1.781 4.371 -5.372 1.00 11.30 H new ATOM 0 HH21 ARG A 66 -2.570 4.296 -8.743 1.00 64.22 H new ATOM 0 HH22 ARG A 66 -2.959 4.948 -7.148 1.00 64.22 H new ATOM 1099 N ASP A 67 4.371 -1.168 -6.204 1.00 23.12 N ATOM 1100 CA ASP A 67 5.610 -1.959 -6.004 1.00 44.15 C ATOM 1101 C ASP A 67 5.319 -3.298 -5.262 1.00 21.43 C ATOM 1102 O ASP A 67 5.826 -4.361 -5.646 1.00 10.43 O ATOM 1103 CB ASP A 67 6.619 -1.085 -5.208 1.00 44.13 C ATOM 1104 CG ASP A 67 8.013 -1.698 -5.050 1.00 1.13 C ATOM 1105 OD1 ASP A 67 8.849 -1.537 -5.955 1.00 75.13 O ATOM 1106 OD2 ASP A 67 8.287 -2.338 -4.026 1.00 71.13 O ATOM 0 H ASP A 67 4.405 -0.252 -5.756 1.00 23.12 H new ATOM 0 HA ASP A 67 6.033 -2.227 -6.972 1.00 44.15 H new ATOM 0 HB2 ASP A 67 6.716 -0.121 -5.707 1.00 44.13 H new ATOM 0 HB3 ASP A 67 6.208 -0.891 -4.217 1.00 44.13 H new ATOM 1111 N ILE A 68 4.487 -3.213 -4.206 1.00 61.22 N ATOM 1112 CA ILE A 68 4.035 -4.382 -3.414 1.00 10.41 C ATOM 1113 C ILE A 68 3.091 -5.294 -4.248 1.00 74.12 C ATOM 1114 O ILE A 68 3.238 -6.527 -4.253 1.00 14.11 O ATOM 1115 CB ILE A 68 3.287 -3.909 -2.109 1.00 21.43 C ATOM 1116 CG1 ILE A 68 4.203 -2.994 -1.227 1.00 23.33 C ATOM 1117 CG2 ILE A 68 2.762 -5.114 -1.286 1.00 31.11 C ATOM 1118 CD1 ILE A 68 3.481 -2.244 -0.113 1.00 43.34 C ATOM 0 H ILE A 68 4.105 -2.328 -3.873 1.00 61.22 H new ATOM 0 HA ILE A 68 4.920 -4.954 -3.137 1.00 10.41 H new ATOM 0 HB ILE A 68 2.426 -3.320 -2.427 1.00 21.43 H new ATOM 0 HG12 ILE A 68 4.986 -3.609 -0.783 1.00 23.33 H new ATOM 0 HG13 ILE A 68 4.696 -2.268 -1.873 1.00 23.33 H new ATOM 0 HG21 ILE A 68 2.252 -4.751 -0.394 1.00 31.11 H new ATOM 0 HG22 ILE A 68 2.065 -5.693 -1.892 1.00 31.11 H new ATOM 0 HG23 ILE A 68 3.600 -5.747 -0.993 1.00 31.11 H new ATOM 0 HD11 ILE A 68 4.198 -1.638 0.442 1.00 43.34 H new ATOM 0 HD12 ILE A 68 2.717 -1.598 -0.545 1.00 43.34 H new ATOM 0 HD13 ILE A 68 3.011 -2.959 0.562 1.00 43.34 H new ATOM 1130 N ARG A 69 2.140 -4.646 -4.955 1.00 54.33 N ATOM 1131 CA ARG A 69 1.102 -5.316 -5.780 1.00 1.34 C ATOM 1132 C ARG A 69 1.676 -6.267 -6.861 1.00 63.11 C ATOM 1133 O ARG A 69 0.983 -7.212 -7.269 1.00 33.32 O ATOM 1134 CB ARG A 69 0.126 -4.254 -6.403 1.00 15.22 C ATOM 1135 CG ARG A 69 -1.102 -3.943 -5.511 1.00 32.31 C ATOM 1136 CD ARG A 69 -2.040 -5.165 -5.403 1.00 72.25 C ATOM 1137 NE ARG A 69 -3.043 -5.007 -4.347 1.00 11.34 N ATOM 1138 CZ ARG A 69 -4.032 -5.837 -4.105 1.00 64.30 C ATOM 1139 NH1 ARG A 69 -4.300 -6.837 -4.885 1.00 44.32 N ATOM 1140 NH2 ARG A 69 -4.755 -5.652 -3.067 1.00 43.41 N ATOM 0 H ARG A 69 2.068 -3.629 -4.971 1.00 54.33 H new ATOM 0 HA ARG A 69 0.540 -5.960 -5.104 1.00 1.34 H new ATOM 0 HB2 ARG A 69 0.676 -3.330 -6.585 1.00 15.22 H new ATOM 0 HB3 ARG A 69 -0.221 -4.615 -7.371 1.00 15.22 H new ATOM 0 HG2 ARG A 69 -0.767 -3.650 -4.516 1.00 32.31 H new ATOM 0 HG3 ARG A 69 -1.650 -3.097 -5.925 1.00 32.31 H new ATOM 0 HD2 ARG A 69 -2.543 -5.319 -6.358 1.00 72.25 H new ATOM 0 HD3 ARG A 69 -1.447 -6.058 -5.207 1.00 72.25 H new ATOM 0 HE ARG A 69 -2.967 -4.184 -3.750 1.00 11.34 H new ATOM 0 HH11 ARG A 69 -3.735 -7.000 -5.718 1.00 44.32 H new ATOM 0 HH12 ARG A 69 -5.076 -7.461 -4.665 1.00 44.32 H new ATOM 0 HH21 ARG A 69 -4.560 -4.870 -2.442 1.00 43.41 H new ATOM 0 HH22 ARG A 69 -5.527 -6.287 -2.864 1.00 43.41 H new ATOM 1154 N ARG A 70 2.912 -6.002 -7.334 1.00 52.43 N ATOM 1155 CA ARG A 70 3.612 -6.900 -8.289 1.00 32.51 C ATOM 1156 C ARG A 70 3.759 -8.346 -7.716 1.00 14.42 C ATOM 1157 O ARG A 70 3.528 -9.333 -8.424 1.00 44.14 O ATOM 1158 CB ARG A 70 5.018 -6.355 -8.655 1.00 43.43 C ATOM 1159 CG ARG A 70 5.070 -4.884 -9.138 1.00 12.02 C ATOM 1160 CD ARG A 70 6.413 -4.529 -9.829 1.00 3.10 C ATOM 1161 NE ARG A 70 7.561 -5.217 -9.204 1.00 23.33 N ATOM 1162 CZ ARG A 70 8.282 -4.763 -8.205 1.00 64.13 C ATOM 1163 NH1 ARG A 70 8.124 -3.575 -7.739 1.00 40.54 N ATOM 1164 NH2 ARG A 70 9.191 -5.520 -7.694 1.00 52.31 N ATOM 0 H ARG A 70 3.449 -5.175 -7.073 1.00 52.43 H new ATOM 0 HA ARG A 70 2.997 -6.935 -9.188 1.00 32.51 H new ATOM 0 HB2 ARG A 70 5.663 -6.453 -7.782 1.00 43.43 H new ATOM 0 HB3 ARG A 70 5.440 -6.988 -9.435 1.00 43.43 H new ATOM 0 HG2 ARG A 70 4.250 -4.705 -9.833 1.00 12.02 H new ATOM 0 HG3 ARG A 70 4.917 -4.221 -8.287 1.00 12.02 H new ATOM 0 HD2 ARG A 70 6.360 -4.800 -10.884 1.00 3.10 H new ATOM 0 HD3 ARG A 70 6.569 -3.451 -9.784 1.00 3.10 H new ATOM 0 HE ARG A 70 7.817 -6.129 -9.583 1.00 23.33 H new ATOM 0 HH11 ARG A 70 7.423 -2.956 -8.147 1.00 40.54 H new ATOM 0 HH12 ARG A 70 8.700 -3.251 -6.962 1.00 40.54 H new ATOM 0 HH21 ARG A 70 9.342 -6.458 -8.066 1.00 52.31 H new ATOM 0 HH22 ARG A 70 9.759 -5.182 -6.918 1.00 52.31 H new ATOM 1178 N ARG A 71 4.143 -8.442 -6.422 1.00 72.23 N ATOM 1179 CA ARG A 71 4.311 -9.745 -5.716 1.00 11.34 C ATOM 1180 C ARG A 71 2.990 -10.191 -5.039 1.00 70.43 C ATOM 1181 O ARG A 71 2.789 -11.383 -4.770 1.00 32.12 O ATOM 1182 CB ARG A 71 5.442 -9.672 -4.642 1.00 61.32 C ATOM 1183 CG ARG A 71 6.788 -9.048 -5.118 1.00 40.45 C ATOM 1184 CD ARG A 71 6.891 -7.539 -4.819 1.00 62.11 C ATOM 1185 NE ARG A 71 6.857 -7.274 -3.363 1.00 2.50 N ATOM 1186 CZ ARG A 71 7.176 -6.138 -2.785 1.00 11.44 C ATOM 1187 NH1 ARG A 71 7.554 -5.106 -3.464 1.00 54.42 N ATOM 1188 NH2 ARG A 71 7.103 -6.043 -1.505 1.00 53.30 N ATOM 0 H ARG A 71 4.345 -7.630 -5.838 1.00 72.23 H new ATOM 0 HA ARG A 71 4.590 -10.479 -6.472 1.00 11.34 H new ATOM 0 HB2 ARG A 71 5.075 -9.094 -3.794 1.00 61.32 H new ATOM 0 HB3 ARG A 71 5.639 -10.681 -4.279 1.00 61.32 H new ATOM 0 HG2 ARG A 71 7.615 -9.566 -4.632 1.00 40.45 H new ATOM 0 HG3 ARG A 71 6.898 -9.209 -6.191 1.00 40.45 H new ATOM 0 HD2 ARG A 71 7.816 -7.145 -5.241 1.00 62.11 H new ATOM 0 HD3 ARG A 71 6.070 -7.013 -5.305 1.00 62.11 H new ATOM 0 HE ARG A 71 6.561 -8.039 -2.757 1.00 2.50 H new ATOM 0 HH11 ARG A 71 7.612 -5.158 -4.481 1.00 54.42 H new ATOM 0 HH12 ARG A 71 7.794 -4.239 -2.983 1.00 54.42 H new ATOM 0 HH21 ARG A 71 6.800 -6.844 -0.951 1.00 53.30 H new ATOM 0 HH22 ARG A 71 7.348 -5.167 -1.044 1.00 53.30 H new