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 :FLIP amide:sc= 0 F(o=-1.8,f=-0.79) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.8!) USER MOD Single : A 22 THR OG1 : rot -84:sc= 0.151 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.05) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc=-0.00378 F(o=-0.85,f=-0.0038) USER MOD Single : A 51 MET CE :methyl 156:sc= 0 (180deg=-0.675) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 74:sc= 1.02 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=-0.25) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.966 -5.627 12.309 1.00 1.25 N ATOM 330 CA LEU A 21 8.562 -4.910 11.155 1.00 1.14 C ATOM 331 C LEU A 21 9.466 -5.784 10.230 1.00 34.20 C ATOM 332 O LEU A 21 10.666 -5.958 10.483 1.00 61.35 O ATOM 333 CB LEU A 21 9.341 -3.655 11.647 1.00 62.42 C ATOM 334 CG LEU A 21 8.497 -2.541 12.354 1.00 71.24 C ATOM 335 CD1 LEU A 21 9.392 -1.365 12.816 1.00 34.21 C ATOM 336 CD2 LEU A 21 7.354 -2.030 11.441 1.00 54.34 C ATOM 0 HA LEU A 21 7.718 -4.615 10.531 1.00 1.14 H new ATOM 0 HB2 LEU A 21 10.117 -3.984 12.337 1.00 62.42 H new ATOM 0 HB3 LEU A 21 9.845 -3.209 10.790 1.00 62.42 H new ATOM 0 HG LEU A 21 8.045 -2.991 13.238 1.00 71.24 H new ATOM 0 HD11 LEU A 21 8.776 -0.609 13.303 1.00 34.21 H new ATOM 0 HD12 LEU A 21 10.140 -1.731 13.519 1.00 34.21 H new ATOM 0 HD13 LEU A 21 9.891 -0.926 11.952 1.00 34.21 H new ATOM 0 HD21 LEU A 21 6.789 -1.258 11.963 1.00 54.34 H new ATOM 0 HD22 LEU A 21 7.777 -1.614 10.527 1.00 54.34 H new ATOM 0 HD23 LEU A 21 6.691 -2.858 11.190 1.00 54.34 H new ATOM 348 N THR A 22 8.836 -6.356 9.182 1.00 4.42 N ATOM 349 CA THR A 22 9.541 -6.968 8.026 1.00 21.14 C ATOM 350 C THR A 22 10.192 -5.872 7.143 1.00 43.22 C ATOM 351 O THR A 22 9.945 -4.685 7.354 1.00 64.23 O ATOM 352 CB THR A 22 8.558 -7.806 7.130 1.00 41.52 C ATOM 353 OG1 THR A 22 7.565 -6.941 6.538 1.00 1.54 O ATOM 354 CG2 THR A 22 7.860 -8.930 7.923 1.00 74.03 C ATOM 0 H THR A 22 7.820 -6.409 9.110 1.00 4.42 H new ATOM 0 HA THR A 22 10.307 -7.628 8.433 1.00 21.14 H new ATOM 0 HB THR A 22 9.156 -8.274 6.348 1.00 41.52 H new ATOM 0 HG1 THR A 22 6.834 -6.798 7.175 1.00 1.54 H new ATOM 0 HG21 THR A 22 7.191 -9.481 7.261 1.00 74.03 H new ATOM 0 HG22 THR A 22 8.610 -9.609 8.328 1.00 74.03 H new ATOM 0 HG23 THR A 22 7.285 -8.495 8.740 1.00 74.03 H new ATOM 362 N ARG A 23 10.994 -6.270 6.128 1.00 31.21 N ATOM 363 CA ARG A 23 11.634 -5.302 5.192 1.00 5.11 C ATOM 364 C ARG A 23 10.586 -4.558 4.315 1.00 53.24 C ATOM 365 O ARG A 23 10.850 -3.451 3.834 1.00 73.21 O ATOM 366 CB ARG A 23 12.704 -6.002 4.316 1.00 54.22 C ATOM 367 CG ARG A 23 13.887 -6.592 5.124 1.00 74.10 C ATOM 368 CD ARG A 23 15.017 -7.140 4.233 1.00 32.31 C ATOM 369 NE ARG A 23 16.144 -7.667 5.030 1.00 15.52 N ATOM 370 CZ ARG A 23 17.402 -7.735 4.637 1.00 22.43 C ATOM 371 NH1 ARG A 23 17.778 -7.261 3.487 1.00 70.22 N ATOM 372 NH2 ARG A 23 18.290 -8.262 5.416 1.00 2.54 N ATOM 0 H ARG A 23 11.215 -7.246 5.933 1.00 31.21 H new ATOM 0 HA ARG A 23 12.134 -4.547 5.799 1.00 5.11 H new ATOM 0 HB2 ARG A 23 12.229 -6.802 3.749 1.00 54.22 H new ATOM 0 HB3 ARG A 23 13.092 -5.286 3.592 1.00 54.22 H new ATOM 0 HG2 ARG A 23 14.292 -5.821 5.779 1.00 74.10 H new ATOM 0 HG3 ARG A 23 13.517 -7.393 5.765 1.00 74.10 H new ATOM 0 HD2 ARG A 23 14.624 -7.931 3.594 1.00 32.31 H new ATOM 0 HD3 ARG A 23 15.377 -6.348 3.576 1.00 32.31 H new ATOM 0 HE ARG A 23 15.931 -8.009 5.967 1.00 15.52 H new ATOM 0 HH11 ARG A 23 17.095 -6.825 2.867 1.00 70.22 H new ATOM 0 HH12 ARG A 23 18.756 -7.325 3.204 1.00 70.22 H new ATOM 0 HH21 ARG A 23 18.017 -8.623 6.330 1.00 2.54 H new ATOM 0 HH22 ARG A 23 19.263 -8.317 5.116 1.00 2.54 H new ATOM 386 N ASP A 24 9.399 -5.174 4.130 1.00 62.51 N ATOM 387 CA ASP A 24 8.233 -4.513 3.491 1.00 34.52 C ATOM 388 C ASP A 24 7.645 -3.409 4.410 1.00 61.43 C ATOM 389 O ASP A 24 7.267 -2.330 3.942 1.00 40.32 O ATOM 390 CB ASP A 24 7.137 -5.553 3.145 1.00 41.00 C ATOM 391 CG ASP A 24 7.633 -6.635 2.174 1.00 40.24 C ATOM 392 OD1 ASP A 24 7.521 -6.446 0.944 1.00 1.53 O ATOM 393 OD2 ASP A 24 8.145 -7.677 2.641 1.00 42.13 O ATOM 0 H ASP A 24 9.219 -6.136 4.416 1.00 62.51 H new ATOM 0 HA ASP A 24 8.580 -4.046 2.569 1.00 34.52 H new ATOM 0 HB2 ASP A 24 6.788 -6.026 4.063 1.00 41.00 H new ATOM 0 HB3 ASP A 24 6.281 -5.041 2.705 1.00 41.00 H new ATOM 398 N GLU A 25 7.583 -3.708 5.720 1.00 15.00 N ATOM 399 CA GLU A 25 7.088 -2.769 6.756 1.00 10.40 C ATOM 400 C GLU A 25 8.075 -1.607 7.032 1.00 71.45 C ATOM 401 O GLU A 25 7.640 -0.501 7.320 1.00 42.21 O ATOM 402 CB GLU A 25 6.788 -3.546 8.064 1.00 11.43 C ATOM 403 CG GLU A 25 5.549 -4.460 7.983 1.00 41.21 C ATOM 404 CD GLU A 25 5.393 -5.407 9.176 1.00 13.01 C ATOM 405 OE1 GLU A 25 5.002 -4.960 10.278 1.00 32.30 O ATOM 406 OE2 GLU A 25 5.671 -6.607 9.011 1.00 65.23 O ATOM 0 H GLU A 25 7.875 -4.610 6.096 1.00 15.00 H new ATOM 0 HA GLU A 25 6.172 -2.316 6.375 1.00 10.40 H new ATOM 0 HB2 GLU A 25 7.657 -4.152 8.322 1.00 11.43 H new ATOM 0 HB3 GLU A 25 6.646 -2.831 8.874 1.00 11.43 H new ATOM 0 HG2 GLU A 25 4.657 -3.839 7.907 1.00 41.21 H new ATOM 0 HG3 GLU A 25 5.605 -5.051 7.069 1.00 41.21 H new ATOM 413 N LEU A 26 9.391 -1.867 6.941 1.00 23.45 N ATOM 414 CA LEU A 26 10.439 -0.836 7.174 1.00 2.11 C ATOM 415 C LEU A 26 10.338 0.333 6.153 1.00 74.45 C ATOM 416 O LEU A 26 10.382 1.509 6.532 1.00 12.00 O ATOM 417 CB LEU A 26 11.850 -1.484 7.129 1.00 12.53 C ATOM 418 CG LEU A 26 12.167 -2.496 8.280 1.00 23.51 C ATOM 419 CD1 LEU A 26 13.520 -3.210 8.055 1.00 73.51 C ATOM 420 CD2 LEU A 26 12.125 -1.805 9.669 1.00 3.14 C ATOM 0 H LEU A 26 9.764 -2.787 6.706 1.00 23.45 H new ATOM 0 HA LEU A 26 10.275 -0.414 8.166 1.00 2.11 H new ATOM 0 HB2 LEU A 26 11.963 -1.999 6.175 1.00 12.53 H new ATOM 0 HB3 LEU A 26 12.596 -0.689 7.153 1.00 12.53 H new ATOM 0 HG LEU A 26 11.387 -3.257 8.263 1.00 23.51 H new ATOM 0 HD11 LEU A 26 13.706 -3.905 8.874 1.00 73.51 H new ATOM 0 HD12 LEU A 26 13.490 -3.759 7.114 1.00 73.51 H new ATOM 0 HD13 LEU A 26 14.320 -2.471 8.018 1.00 73.51 H new ATOM 0 HD21 LEU A 26 12.350 -2.536 10.446 1.00 3.14 H new ATOM 0 HD22 LEU A 26 12.864 -1.004 9.700 1.00 3.14 H new ATOM 0 HD23 LEU A 26 11.132 -1.389 9.838 1.00 3.14 H new ATOM 432 N ARG A 27 10.190 -0.020 4.862 1.00 50.12 N ATOM 433 CA ARG A 27 9.960 0.963 3.772 1.00 1.12 C ATOM 434 C ARG A 27 8.523 1.535 3.800 1.00 13.23 C ATOM 435 O ARG A 27 8.301 2.671 3.365 1.00 52.32 O ATOM 436 CB ARG A 27 10.312 0.349 2.388 1.00 53.31 C ATOM 437 CG ARG A 27 9.624 -0.992 2.068 1.00 72.34 C ATOM 438 CD ARG A 27 10.180 -1.649 0.791 1.00 35.45 C ATOM 439 NE ARG A 27 9.759 -3.058 0.658 1.00 75.22 N ATOM 440 CZ ARG A 27 10.551 -4.057 0.307 1.00 33.34 C ATOM 441 NH1 ARG A 27 11.812 -3.858 0.042 1.00 22.35 N ATOM 442 NH2 ARG A 27 10.086 -5.258 0.228 1.00 62.34 N ATOM 0 H ARG A 27 10.225 -0.987 4.541 1.00 50.12 H new ATOM 0 HA ARG A 27 10.631 1.805 3.942 1.00 1.12 H new ATOM 0 HB2 ARG A 27 10.048 1.068 1.612 1.00 53.31 H new ATOM 0 HB3 ARG A 27 11.391 0.206 2.336 1.00 53.31 H new ATOM 0 HG2 ARG A 27 9.753 -1.673 2.909 1.00 72.34 H new ATOM 0 HG3 ARG A 27 8.553 -0.829 1.952 1.00 72.34 H new ATOM 0 HD2 ARG A 27 9.843 -1.087 -0.080 1.00 35.45 H new ATOM 0 HD3 ARG A 27 11.269 -1.597 0.802 1.00 35.45 H new ATOM 0 HE ARG A 27 8.782 -3.278 0.852 1.00 75.22 H new ATOM 0 HH11 ARG A 27 12.204 -2.918 0.104 1.00 22.35 H new ATOM 0 HH12 ARG A 27 12.406 -4.642 -0.227 1.00 22.35 H new ATOM 0 HH21 ARG A 27 9.104 -5.440 0.437 1.00 62.34 H new ATOM 0 HH22 ARG A 27 10.700 -6.026 -0.043 1.00 62.34 H new ATOM 456 N ALA A 28 7.550 0.735 4.295 1.00 54.30 N ATOM 457 CA ALA A 28 6.165 1.212 4.528 1.00 0.42 C ATOM 458 C ALA A 28 6.130 2.364 5.569 1.00 1.14 C ATOM 459 O ALA A 28 5.396 3.336 5.400 1.00 60.22 O ATOM 460 CB ALA A 28 5.250 0.051 4.959 1.00 65.12 C ATOM 0 H ALA A 28 7.698 -0.244 4.541 1.00 54.30 H new ATOM 0 HA ALA A 28 5.788 1.609 3.585 1.00 0.42 H new ATOM 0 HB1 ALA A 28 4.240 0.426 5.124 1.00 65.12 H new ATOM 0 HB2 ALA A 28 5.232 -0.708 4.177 1.00 65.12 H new ATOM 0 HB3 ALA A 28 5.629 -0.388 5.882 1.00 65.12 H new ATOM 466 N LYS A 29 6.959 2.251 6.625 1.00 1.40 N ATOM 467 CA LYS A 29 7.102 3.307 7.656 1.00 64.55 C ATOM 468 C LYS A 29 7.836 4.546 7.087 1.00 1.00 C ATOM 469 O LYS A 29 7.476 5.686 7.402 1.00 72.44 O ATOM 470 CB LYS A 29 7.853 2.761 8.907 1.00 61.30 C ATOM 471 CG LYS A 29 7.150 1.588 9.639 1.00 43.43 C ATOM 472 CD LYS A 29 5.741 1.944 10.169 1.00 42.44 C ATOM 473 CE LYS A 29 5.769 3.040 11.249 1.00 13.22 C ATOM 474 NZ LYS A 29 4.399 3.428 11.687 1.00 41.44 N ATOM 0 H LYS A 29 7.546 1.433 6.790 1.00 1.40 H new ATOM 0 HA LYS A 29 6.101 3.613 7.959 1.00 64.55 H new ATOM 0 HB2 LYS A 29 8.846 2.434 8.600 1.00 61.30 H new ATOM 0 HB3 LYS A 29 7.991 3.579 9.614 1.00 61.30 H new ATOM 0 HG2 LYS A 29 7.069 0.741 8.957 1.00 43.43 H new ATOM 0 HG3 LYS A 29 7.773 1.267 10.474 1.00 43.43 H new ATOM 0 HD2 LYS A 29 5.118 2.275 9.338 1.00 42.44 H new ATOM 0 HD3 LYS A 29 5.275 1.048 10.579 1.00 42.44 H new ATOM 0 HE2 LYS A 29 6.338 2.687 12.109 1.00 13.22 H new ATOM 0 HE3 LYS A 29 6.288 3.917 10.862 1.00 13.22 H new ATOM 0 HZ1 LYS A 29 4.464 4.168 12.415 1.00 41.44 H new ATOM 0 HZ2 LYS A 29 3.863 3.789 10.872 1.00 41.44 H new ATOM 0 HZ3 LYS A 29 3.912 2.598 12.081 1.00 41.44 H new ATOM 488 N ALA A 30 8.847 4.296 6.232 1.00 73.14 N ATOM 489 CA ALA A 30 9.656 5.358 5.588 1.00 72.14 C ATOM 490 C ALA A 30 8.806 6.268 4.661 1.00 13.14 C ATOM 491 O ALA A 30 8.992 7.491 4.637 1.00 21.24 O ATOM 492 CB ALA A 30 10.819 4.724 4.801 1.00 1.44 C ATOM 0 H ALA A 30 9.129 3.352 5.966 1.00 73.14 H new ATOM 0 HA ALA A 30 10.053 5.994 6.379 1.00 72.14 H new ATOM 0 HB1 ALA A 30 11.410 5.509 4.330 1.00 1.44 H new ATOM 0 HB2 ALA A 30 11.451 4.153 5.482 1.00 1.44 H new ATOM 0 HB3 ALA A 30 10.420 4.060 4.034 1.00 1.44 H new ATOM 498 N LEU A 31 7.878 5.653 3.897 1.00 22.44 N ATOM 499 CA LEU A 31 6.992 6.379 2.943 1.00 13.30 C ATOM 500 C LEU A 31 5.601 6.722 3.542 1.00 35.02 C ATOM 501 O LEU A 31 4.784 7.347 2.866 1.00 2.40 O ATOM 502 CB LEU A 31 6.862 5.567 1.619 1.00 51.14 C ATOM 503 CG LEU A 31 8.169 5.487 0.757 1.00 1.34 C ATOM 504 CD1 LEU A 31 7.978 4.616 -0.501 1.00 11.13 C ATOM 505 CD2 LEU A 31 8.667 6.901 0.368 1.00 3.05 C ATOM 0 H LEU A 31 7.717 4.646 3.919 1.00 22.44 H new ATOM 0 HA LEU A 31 7.461 7.339 2.728 1.00 13.30 H new ATOM 0 HB2 LEU A 31 6.543 4.553 1.862 1.00 51.14 H new ATOM 0 HB3 LEU A 31 6.073 6.013 1.014 1.00 51.14 H new ATOM 0 HG LEU A 31 8.929 5.010 1.375 1.00 1.34 H new ATOM 0 HD11 LEU A 31 8.908 4.588 -1.069 1.00 11.13 H new ATOM 0 HD12 LEU A 31 7.703 3.604 -0.204 1.00 11.13 H new ATOM 0 HD13 LEU A 31 7.187 5.040 -1.120 1.00 11.13 H new ATOM 0 HD21 LEU A 31 9.575 6.815 -0.229 1.00 3.05 H new ATOM 0 HD22 LEU A 31 7.898 7.411 -0.212 1.00 3.05 H new ATOM 0 HD23 LEU A 31 8.880 7.473 1.271 1.00 3.05 H new ATOM 517 N HIS A 32 5.357 6.325 4.815 1.00 24.23 N ATOM 518 CA HIS A 32 4.129 6.689 5.581 1.00 21.12 C ATOM 519 C HIS A 32 2.843 6.026 4.996 1.00 61.44 C ATOM 520 O HIS A 32 1.899 6.702 4.580 1.00 61.43 O ATOM 521 CB HIS A 32 3.998 8.246 5.723 1.00 71.05 C ATOM 522 CG HIS A 32 2.842 8.742 6.571 1.00 15.34 C ATOM 523 ND1 HIS A 32 2.815 8.635 7.945 1.00 22.34 N ATOM 524 CD2 HIS A 32 1.671 9.345 6.229 1.00 0.35 C ATOM 525 CE1 HIS A 32 1.689 9.138 8.405 1.00 51.24 C ATOM 526 NE2 HIS A 32 0.982 9.577 7.390 1.00 61.43 N ATOM 0 H HIS A 32 6.005 5.742 5.345 1.00 24.23 H new ATOM 0 HA HIS A 32 4.236 6.281 6.586 1.00 21.12 H new ATOM 0 HB2 HIS A 32 4.925 8.631 6.147 1.00 71.05 H new ATOM 0 HB3 HIS A 32 3.901 8.675 4.726 1.00 71.05 H new ATOM 0 HD2 HIS A 32 1.346 9.594 5.230 1.00 0.35 H new ATOM 0 HE1 HIS A 32 1.396 9.182 9.444 1.00 51.24 H new ATOM 0 HE2 HIS A 32 0.066 10.020 7.455 1.00 61.43 H new ATOM 535 N ILE A 33 2.836 4.687 4.942 1.00 34.41 N ATOM 536 CA ILE A 33 1.627 3.903 4.604 1.00 54.32 C ATOM 537 C ILE A 33 0.710 3.807 5.865 1.00 15.51 C ATOM 538 O ILE A 33 1.116 3.206 6.868 1.00 42.53 O ATOM 539 CB ILE A 33 2.003 2.454 4.094 1.00 23.42 C ATOM 540 CG1 ILE A 33 3.012 2.519 2.895 1.00 74.31 C ATOM 541 CG2 ILE A 33 0.743 1.633 3.714 1.00 74.11 C ATOM 542 CD1 ILE A 33 2.514 3.260 1.661 1.00 51.54 C ATOM 0 H ILE A 33 3.659 4.115 5.129 1.00 34.41 H new ATOM 0 HA ILE A 33 1.098 4.410 3.797 1.00 54.32 H new ATOM 0 HB ILE A 33 2.492 1.939 4.920 1.00 23.42 H new ATOM 0 HG12 ILE A 33 3.929 2.997 3.240 1.00 74.31 H new ATOM 0 HG13 ILE A 33 3.273 1.501 2.606 1.00 74.31 H new ATOM 0 HG21 ILE A 33 1.044 0.644 3.369 1.00 74.11 H new ATOM 0 HG22 ILE A 33 0.098 1.532 4.587 1.00 74.11 H new ATOM 0 HG23 ILE A 33 0.201 2.145 2.919 1.00 74.11 H new ATOM 0 HD11 ILE A 33 3.287 3.247 0.892 1.00 51.54 H new ATOM 0 HD12 ILE A 33 1.616 2.772 1.282 1.00 51.54 H new ATOM 0 HD13 ILE A 33 2.283 4.292 1.925 1.00 51.54 H new ATOM 554 N PRO A 34 -0.525 4.417 5.847 1.00 43.04 N ATOM 555 CA PRO A 34 -1.408 4.496 7.055 1.00 15.13 C ATOM 556 C PRO A 34 -2.051 3.144 7.460 1.00 44.12 C ATOM 557 O PRO A 34 -2.505 2.982 8.600 1.00 22.35 O ATOM 558 CB PRO A 34 -2.482 5.529 6.621 1.00 11.53 C ATOM 559 CG PRO A 34 -2.571 5.362 5.135 1.00 33.30 C ATOM 560 CD PRO A 34 -1.157 5.084 4.668 1.00 31.32 C ATOM 0 HA PRO A 34 -0.848 4.776 7.947 1.00 15.13 H new ATOM 0 HB2 PRO A 34 -3.440 5.333 7.102 1.00 11.53 H new ATOM 0 HB3 PRO A 34 -2.191 6.544 6.891 1.00 11.53 H new ATOM 0 HG2 PRO A 34 -3.238 4.541 4.873 1.00 33.30 H new ATOM 0 HG3 PRO A 34 -2.970 6.260 4.663 1.00 33.30 H new ATOM 0 HD2 PRO A 34 -1.144 4.441 3.788 1.00 31.32 H new ATOM 0 HD3 PRO A 34 -0.635 6.002 4.399 1.00 31.32 H new ATOM 568 N PHE A 35 -2.088 2.195 6.514 1.00 72.32 N ATOM 569 CA PHE A 35 -2.656 0.847 6.729 1.00 20.10 C ATOM 570 C PHE A 35 -1.560 -0.171 7.150 1.00 22.31 C ATOM 571 O PHE A 35 -0.369 0.062 6.898 1.00 63.32 O ATOM 572 CB PHE A 35 -3.314 0.337 5.425 1.00 23.42 C ATOM 573 CG PHE A 35 -4.477 1.177 4.898 1.00 3.33 C ATOM 574 CD1 PHE A 35 -5.593 1.434 5.698 1.00 35.42 C ATOM 575 CD2 PHE A 35 -4.463 1.694 3.599 1.00 35.00 C ATOM 576 CE1 PHE A 35 -6.654 2.179 5.217 1.00 62.00 C ATOM 577 CE2 PHE A 35 -5.526 2.432 3.121 1.00 75.20 C ATOM 578 CZ PHE A 35 -6.620 2.677 3.928 1.00 23.21 C ATOM 0 H PHE A 35 -1.724 2.337 5.572 1.00 72.32 H new ATOM 0 HA PHE A 35 -3.394 0.928 7.527 1.00 20.10 H new ATOM 0 HB2 PHE A 35 -2.549 0.283 4.651 1.00 23.42 H new ATOM 0 HB3 PHE A 35 -3.670 -0.679 5.593 1.00 23.42 H new ATOM 0 HD1 PHE A 35 -5.628 1.046 6.705 1.00 35.42 H new ATOM 0 HD2 PHE A 35 -3.610 1.513 2.962 1.00 35.00 H new ATOM 0 HE1 PHE A 35 -7.509 2.372 5.848 1.00 62.00 H new ATOM 0 HE2 PHE A 35 -5.503 2.819 2.113 1.00 75.20 H new ATOM 0 HZ PHE A 35 -7.449 3.258 3.552 1.00 23.21 H new ATOM 588 N PRO A 36 -1.946 -1.328 7.786 1.00 63.44 N ATOM 589 CA PRO A 36 -1.065 -2.522 7.859 1.00 73.53 C ATOM 590 C PRO A 36 -0.771 -3.087 6.441 1.00 11.14 C ATOM 591 O PRO A 36 -1.573 -2.904 5.514 1.00 54.13 O ATOM 592 CB PRO A 36 -1.885 -3.541 8.707 1.00 64.00 C ATOM 593 CG PRO A 36 -2.892 -2.701 9.443 1.00 53.02 C ATOM 594 CD PRO A 36 -3.223 -1.552 8.517 1.00 23.42 C ATOM 0 HA PRO A 36 -0.092 -2.299 8.296 1.00 73.53 H new ATOM 0 HB2 PRO A 36 -2.374 -4.281 8.073 1.00 64.00 H new ATOM 0 HB3 PRO A 36 -1.244 -4.087 9.399 1.00 64.00 H new ATOM 0 HG2 PRO A 36 -3.784 -3.280 9.683 1.00 53.02 H new ATOM 0 HG3 PRO A 36 -2.484 -2.338 10.387 1.00 53.02 H new ATOM 0 HD2 PRO A 36 -4.037 -1.804 7.838 1.00 23.42 H new ATOM 0 HD3 PRO A 36 -3.532 -0.665 9.070 1.00 23.42 H new ATOM 602 N VAL A 37 0.370 -3.781 6.289 1.00 3.42 N ATOM 603 CA VAL A 37 0.767 -4.427 5.007 1.00 32.54 C ATOM 604 C VAL A 37 -0.297 -5.464 4.537 1.00 42.25 C ATOM 605 O VAL A 37 -0.533 -5.625 3.335 1.00 63.01 O ATOM 606 CB VAL A 37 2.204 -5.079 5.152 1.00 50.21 C ATOM 607 CG1 VAL A 37 2.594 -5.978 3.955 1.00 41.31 C ATOM 608 CG2 VAL A 37 3.268 -3.973 5.358 1.00 63.55 C ATOM 0 H VAL A 37 1.046 -3.915 7.041 1.00 3.42 H new ATOM 0 HA VAL A 37 0.818 -3.662 4.233 1.00 32.54 H new ATOM 0 HB VAL A 37 2.165 -5.729 6.026 1.00 50.21 H new ATOM 0 HG11 VAL A 37 3.589 -6.392 4.120 1.00 41.31 H new ATOM 0 HG12 VAL A 37 1.874 -6.791 3.861 1.00 41.31 H new ATOM 0 HG13 VAL A 37 2.594 -5.386 3.040 1.00 41.31 H new ATOM 0 HG21 VAL A 37 4.253 -4.429 5.457 1.00 63.55 H new ATOM 0 HG22 VAL A 37 3.264 -3.300 4.500 1.00 63.55 H new ATOM 0 HG23 VAL A 37 3.037 -3.410 6.262 1.00 63.55 H new ATOM 618 N GLU A 38 -0.979 -6.091 5.513 1.00 44.40 N ATOM 619 CA GLU A 38 -2.072 -7.065 5.274 1.00 3.34 C ATOM 620 C GLU A 38 -3.254 -6.425 4.501 1.00 20.53 C ATOM 621 O GLU A 38 -3.881 -7.089 3.685 1.00 14.40 O ATOM 622 CB GLU A 38 -2.594 -7.669 6.616 1.00 71.21 C ATOM 623 CG GLU A 38 -1.564 -8.470 7.456 1.00 11.54 C ATOM 624 CD GLU A 38 -0.465 -7.593 8.099 1.00 55.11 C ATOM 625 OE1 GLU A 38 -0.714 -7.004 9.175 1.00 11.04 O ATOM 626 OE2 GLU A 38 0.643 -7.475 7.521 1.00 34.34 O ATOM 0 H GLU A 38 -0.788 -5.937 6.503 1.00 44.40 H new ATOM 0 HA GLU A 38 -1.651 -7.864 4.663 1.00 3.34 H new ATOM 0 HB2 GLU A 38 -2.978 -6.855 7.231 1.00 71.21 H new ATOM 0 HB3 GLU A 38 -3.436 -8.324 6.392 1.00 71.21 H new ATOM 0 HG2 GLU A 38 -2.092 -9.009 8.243 1.00 11.54 H new ATOM 0 HG3 GLU A 38 -1.092 -9.218 6.818 1.00 11.54 H new ATOM 633 N LYS A 39 -3.548 -5.136 4.774 1.00 73.13 N ATOM 634 CA LYS A 39 -4.584 -4.372 4.030 1.00 23.13 C ATOM 635 C LYS A 39 -4.235 -4.260 2.527 1.00 33.13 C ATOM 636 O LYS A 39 -5.058 -4.586 1.682 1.00 21.34 O ATOM 637 CB LYS A 39 -4.799 -2.952 4.653 1.00 44.52 C ATOM 638 CG LYS A 39 -5.946 -2.869 5.685 1.00 45.35 C ATOM 639 CD LYS A 39 -7.328 -3.127 5.033 1.00 70.32 C ATOM 640 CE LYS A 39 -8.465 -3.240 6.058 1.00 22.12 C ATOM 641 NZ LYS A 39 -9.780 -3.452 5.400 1.00 31.45 N ATOM 0 H LYS A 39 -3.084 -4.597 5.505 1.00 73.13 H new ATOM 0 HA LYS A 39 -5.519 -4.926 4.117 1.00 23.13 H new ATOM 0 HB2 LYS A 39 -3.873 -2.636 5.133 1.00 44.52 H new ATOM 0 HB3 LYS A 39 -4.999 -2.244 3.849 1.00 44.52 H new ATOM 0 HG2 LYS A 39 -5.776 -3.599 6.477 1.00 45.35 H new ATOM 0 HG3 LYS A 39 -5.943 -1.885 6.153 1.00 45.35 H new ATOM 0 HD2 LYS A 39 -7.552 -2.318 4.338 1.00 70.32 H new ATOM 0 HD3 LYS A 39 -7.281 -4.046 4.448 1.00 70.32 H new ATOM 0 HE2 LYS A 39 -8.261 -4.067 6.738 1.00 22.12 H new ATOM 0 HE3 LYS A 39 -8.502 -2.333 6.661 1.00 22.12 H new ATOM 0 HZ1 LYS A 39 -10.523 -3.523 6.124 1.00 31.45 H new ATOM 0 HZ2 LYS A 39 -9.986 -2.651 4.770 1.00 31.45 H new ATOM 0 HZ3 LYS A 39 -9.753 -4.331 4.844 1.00 31.45 H new ATOM 655 N ILE A 40 -2.995 -3.829 2.221 1.00 60.42 N ATOM 656 CA ILE A 40 -2.524 -3.640 0.823 1.00 15.13 C ATOM 657 C ILE A 40 -2.545 -4.991 0.052 1.00 51.14 C ATOM 658 O ILE A 40 -2.917 -5.041 -1.121 1.00 34.21 O ATOM 659 CB ILE A 40 -1.081 -2.974 0.764 1.00 45.20 C ATOM 660 CG1 ILE A 40 -1.102 -1.468 1.218 1.00 15.24 C ATOM 661 CG2 ILE A 40 -0.456 -3.073 -0.651 1.00 32.23 C ATOM 662 CD1 ILE A 40 -1.390 -1.223 2.690 1.00 43.42 C ATOM 0 H ILE A 40 -2.293 -3.602 2.925 1.00 60.42 H new ATOM 0 HA ILE A 40 -3.214 -2.951 0.336 1.00 15.13 H new ATOM 0 HB ILE A 40 -0.465 -3.539 1.463 1.00 45.20 H new ATOM 0 HG12 ILE A 40 -0.137 -1.023 0.977 1.00 15.24 H new ATOM 0 HG13 ILE A 40 -1.852 -0.941 0.628 1.00 15.24 H new ATOM 0 HG21 ILE A 40 0.529 -2.606 -0.647 1.00 32.23 H new ATOM 0 HG22 ILE A 40 -0.360 -4.121 -0.934 1.00 32.23 H new ATOM 0 HG23 ILE A 40 -1.097 -2.561 -1.369 1.00 32.23 H new ATOM 0 HD11 ILE A 40 -1.380 -0.151 2.889 1.00 43.42 H new ATOM 0 HD12 ILE A 40 -2.370 -1.630 2.942 1.00 43.42 H new ATOM 0 HD13 ILE A 40 -0.628 -1.712 3.296 1.00 43.42 H new ATOM 674 N ILE A 41 -2.161 -6.076 0.751 1.00 55.53 N ATOM 675 CA ILE A 41 -2.234 -7.457 0.217 1.00 42.15 C ATOM 676 C ILE A 41 -3.706 -7.854 -0.119 1.00 3.24 C ATOM 677 O ILE A 41 -4.007 -8.254 -1.250 1.00 30.44 O ATOM 678 CB ILE A 41 -1.608 -8.482 1.251 1.00 45.22 C ATOM 679 CG1 ILE A 41 -0.081 -8.193 1.446 1.00 32.31 C ATOM 680 CG2 ILE A 41 -1.849 -9.960 0.837 1.00 13.02 C ATOM 681 CD1 ILE A 41 0.617 -9.060 2.492 1.00 75.43 C ATOM 0 H ILE A 41 -1.792 -6.024 1.700 1.00 55.53 H new ATOM 0 HA ILE A 41 -1.656 -7.492 -0.707 1.00 42.15 H new ATOM 0 HB ILE A 41 -2.117 -8.338 2.204 1.00 45.22 H new ATOM 0 HG12 ILE A 41 0.423 -8.329 0.489 1.00 32.31 H new ATOM 0 HG13 ILE A 41 0.042 -7.146 1.725 1.00 32.31 H new ATOM 0 HG21 ILE A 41 -1.401 -10.623 1.577 1.00 13.02 H new ATOM 0 HG22 ILE A 41 -2.920 -10.152 0.779 1.00 13.02 H new ATOM 0 HG23 ILE A 41 -1.395 -10.144 -0.137 1.00 13.02 H new ATOM 0 HD11 ILE A 41 1.669 -8.782 2.551 1.00 75.43 H new ATOM 0 HD12 ILE A 41 0.146 -8.908 3.463 1.00 75.43 H new ATOM 0 HD13 ILE A 41 0.534 -10.109 2.209 1.00 75.43 H new ATOM 693 N ASN A 42 -4.612 -7.701 0.872 1.00 73.20 N ATOM 694 CA ASN A 42 -6.040 -8.120 0.754 1.00 72.35 C ATOM 695 C ASN A 42 -6.910 -7.135 -0.064 1.00 2.41 C ATOM 696 O ASN A 42 -8.087 -7.422 -0.319 1.00 55.00 O ATOM 697 CB ASN A 42 -6.655 -8.378 2.161 1.00 63.32 C ATOM 698 CG ASN A 42 -6.215 -9.718 2.770 1.00 24.14 C ATOM 699 OD1 ASN A 42 -6.875 -10.741 2.593 1.00 31.13 O ATOM 700 ND2 ASN A 42 -5.092 -9.745 3.456 1.00 12.51 N ATOM 0 H ASN A 42 -4.383 -7.286 1.775 1.00 73.20 H new ATOM 0 HA ASN A 42 -6.039 -9.053 0.190 1.00 72.35 H new ATOM 0 HB2 ASN A 42 -6.367 -7.568 2.832 1.00 63.32 H new ATOM 0 HB3 ASN A 42 -7.742 -8.359 2.086 1.00 63.32 H new ATOM 0 HD21 ASN A 42 -4.756 -10.624 3.851 1.00 12.51 H new ATOM 0 HD22 ASN A 42 -4.557 -8.887 3.593 1.00 12.51 H new ATOM 707 N LEU A 43 -6.339 -5.992 -0.478 1.00 71.23 N ATOM 708 CA LEU A 43 -7.013 -5.028 -1.384 1.00 14.15 C ATOM 709 C LEU A 43 -6.289 -4.979 -2.760 1.00 44.30 C ATOM 710 O LEU A 43 -5.277 -4.277 -2.902 1.00 71.35 O ATOM 711 CB LEU A 43 -7.072 -3.600 -0.749 1.00 13.23 C ATOM 712 CG LEU A 43 -7.809 -3.460 0.625 1.00 53.42 C ATOM 713 CD1 LEU A 43 -7.774 -1.997 1.135 1.00 44.14 C ATOM 714 CD2 LEU A 43 -9.260 -3.992 0.556 1.00 65.44 C ATOM 0 H LEU A 43 -5.401 -5.705 -0.199 1.00 71.23 H new ATOM 0 HA LEU A 43 -8.036 -5.371 -1.537 1.00 14.15 H new ATOM 0 HB2 LEU A 43 -6.050 -3.244 -0.622 1.00 13.23 H new ATOM 0 HB3 LEU A 43 -7.556 -2.933 -1.462 1.00 13.23 H new ATOM 0 HG LEU A 43 -7.271 -4.078 1.343 1.00 53.42 H new ATOM 0 HD11 LEU A 43 -8.294 -1.932 2.091 1.00 44.14 H new ATOM 0 HD12 LEU A 43 -6.739 -1.681 1.263 1.00 44.14 H new ATOM 0 HD13 LEU A 43 -8.265 -1.347 0.410 1.00 44.14 H new ATOM 0 HD21 LEU A 43 -9.736 -3.877 1.530 1.00 65.44 H new ATOM 0 HD22 LEU A 43 -9.819 -3.428 -0.191 1.00 65.44 H new ATOM 0 HD23 LEU A 43 -9.248 -5.047 0.280 1.00 65.44 H new ATOM 726 N PRO A 44 -6.770 -5.756 -3.791 1.00 3.04 N ATOM 727 CA PRO A 44 -6.314 -5.587 -5.199 1.00 31.41 C ATOM 728 C PRO A 44 -6.552 -4.138 -5.701 1.00 1.45 C ATOM 729 O PRO A 44 -7.460 -3.482 -5.208 1.00 33.22 O ATOM 730 CB PRO A 44 -7.166 -6.621 -5.985 1.00 65.42 C ATOM 731 CG PRO A 44 -7.555 -7.643 -4.953 1.00 53.10 C ATOM 732 CD PRO A 44 -7.756 -6.861 -3.672 1.00 3.42 C ATOM 0 HA PRO A 44 -5.243 -5.751 -5.322 1.00 31.41 H new ATOM 0 HB2 PRO A 44 -8.043 -6.155 -6.434 1.00 65.42 H new ATOM 0 HB3 PRO A 44 -6.595 -7.072 -6.796 1.00 65.42 H new ATOM 0 HG2 PRO A 44 -8.467 -8.166 -5.242 1.00 53.10 H new ATOM 0 HG3 PRO A 44 -6.778 -8.398 -4.835 1.00 53.10 H new ATOM 0 HD2 PRO A 44 -8.775 -6.484 -3.586 1.00 3.42 H new ATOM 0 HD3 PRO A 44 -7.568 -7.475 -2.791 1.00 3.42 H new ATOM 740 N VAL A 45 -5.750 -3.670 -6.687 1.00 4.24 N ATOM 741 CA VAL A 45 -5.712 -2.234 -7.132 1.00 0.24 C ATOM 742 C VAL A 45 -7.125 -1.621 -7.373 1.00 71.21 C ATOM 743 O VAL A 45 -7.393 -0.497 -6.943 1.00 63.14 O ATOM 744 CB VAL A 45 -4.812 -2.048 -8.424 1.00 40.04 C ATOM 745 CG1 VAL A 45 -4.806 -0.579 -8.930 1.00 14.34 C ATOM 746 CG2 VAL A 45 -3.367 -2.545 -8.162 1.00 65.23 C ATOM 0 H VAL A 45 -5.106 -4.269 -7.204 1.00 4.24 H new ATOM 0 HA VAL A 45 -5.264 -1.687 -6.303 1.00 0.24 H new ATOM 0 HB VAL A 45 -5.254 -2.657 -9.213 1.00 40.04 H new ATOM 0 HG11 VAL A 45 -4.176 -0.502 -9.816 1.00 14.34 H new ATOM 0 HG12 VAL A 45 -5.823 -0.276 -9.180 1.00 14.34 H new ATOM 0 HG13 VAL A 45 -4.415 0.073 -8.149 1.00 14.34 H new ATOM 0 HG21 VAL A 45 -2.767 -2.408 -9.061 1.00 65.23 H new ATOM 0 HG22 VAL A 45 -2.929 -1.975 -7.343 1.00 65.23 H new ATOM 0 HG23 VAL A 45 -3.388 -3.602 -7.897 1.00 65.23 H new ATOM 756 N VAL A 46 -8.026 -2.396 -8.002 1.00 62.04 N ATOM 757 CA VAL A 46 -9.423 -1.961 -8.287 1.00 72.24 C ATOM 758 C VAL A 46 -10.241 -1.752 -6.968 1.00 4.54 C ATOM 759 O VAL A 46 -10.974 -0.767 -6.819 1.00 43.10 O ATOM 760 CB VAL A 46 -10.160 -3.005 -9.216 1.00 55.45 C ATOM 761 CG1 VAL A 46 -11.563 -2.510 -9.639 1.00 30.02 C ATOM 762 CG2 VAL A 46 -9.303 -3.356 -10.459 1.00 33.32 C ATOM 0 H VAL A 46 -7.817 -3.339 -8.330 1.00 62.04 H new ATOM 0 HA VAL A 46 -9.363 -1.005 -8.807 1.00 72.24 H new ATOM 0 HB VAL A 46 -10.295 -3.913 -8.629 1.00 55.45 H new ATOM 0 HG11 VAL A 46 -12.035 -3.257 -10.277 1.00 30.02 H new ATOM 0 HG12 VAL A 46 -12.176 -2.351 -8.752 1.00 30.02 H new ATOM 0 HG13 VAL A 46 -11.468 -1.573 -10.187 1.00 30.02 H new ATOM 0 HG21 VAL A 46 -9.838 -4.076 -11.078 1.00 33.32 H new ATOM 0 HG22 VAL A 46 -9.113 -2.452 -11.037 1.00 33.32 H new ATOM 0 HG23 VAL A 46 -8.355 -3.787 -10.137 1.00 33.32 H new ATOM 772 N ASP A 47 -10.067 -2.684 -6.017 1.00 62.25 N ATOM 773 CA ASP A 47 -10.731 -2.647 -4.682 1.00 12.33 C ATOM 774 C ASP A 47 -10.097 -1.581 -3.752 1.00 65.10 C ATOM 775 O ASP A 47 -10.763 -1.016 -2.876 1.00 62.51 O ATOM 776 CB ASP A 47 -10.624 -4.039 -4.018 1.00 11.12 C ATOM 777 CG ASP A 47 -11.188 -5.155 -4.900 1.00 64.25 C ATOM 778 OD1 ASP A 47 -10.471 -5.629 -5.805 1.00 14.25 O ATOM 779 OD2 ASP A 47 -12.355 -5.561 -4.703 1.00 15.03 O ATOM 0 H ASP A 47 -9.460 -3.494 -6.143 1.00 62.25 H new ATOM 0 HA ASP A 47 -11.776 -2.378 -4.834 1.00 12.33 H new ATOM 0 HB2 ASP A 47 -9.579 -4.251 -3.793 1.00 11.12 H new ATOM 0 HB3 ASP A 47 -11.158 -4.027 -3.068 1.00 11.12 H new ATOM 784 N PHE A 48 -8.796 -1.338 -3.953 1.00 3.20 N ATOM 785 CA PHE A 48 -8.028 -0.317 -3.222 1.00 52.41 C ATOM 786 C PHE A 48 -8.441 1.093 -3.704 1.00 30.41 C ATOM 787 O PHE A 48 -8.474 2.040 -2.919 1.00 64.34 O ATOM 788 CB PHE A 48 -6.503 -0.563 -3.411 1.00 14.34 C ATOM 789 CG PHE A 48 -5.617 0.273 -2.479 1.00 71.15 C ATOM 790 CD1 PHE A 48 -5.337 -0.165 -1.179 1.00 62.43 C ATOM 791 CD2 PHE A 48 -5.073 1.492 -2.891 1.00 70.10 C ATOM 792 CE1 PHE A 48 -4.556 0.590 -0.323 1.00 21.11 C ATOM 793 CE2 PHE A 48 -4.298 2.247 -2.032 1.00 60.12 C ATOM 794 CZ PHE A 48 -4.033 1.793 -0.751 1.00 54.25 C ATOM 0 H PHE A 48 -8.238 -1.850 -4.636 1.00 3.20 H new ATOM 0 HA PHE A 48 -8.247 -0.386 -2.156 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -6.292 -1.619 -3.245 1.00 14.34 H new ATOM 0 HB3 PHE A 48 -6.235 -0.343 -4.444 1.00 14.34 H new ATOM 0 HD1 PHE A 48 -5.738 -1.108 -0.839 1.00 62.43 H new ATOM 0 HD2 PHE A 48 -5.261 1.848 -3.893 1.00 70.10 H new ATOM 0 HE1 PHE A 48 -4.356 0.239 0.678 1.00 21.11 H new ATOM 0 HE2 PHE A 48 -3.897 3.195 -2.361 1.00 60.12 H new ATOM 0 HZ PHE A 48 -3.417 2.381 -0.087 1.00 54.25 H new ATOM 804 N ASN A 49 -8.763 1.198 -5.014 1.00 60.32 N ATOM 805 CA ASN A 49 -9.291 2.435 -5.637 1.00 32.45 C ATOM 806 C ASN A 49 -10.657 2.863 -5.044 1.00 10.42 C ATOM 807 O ASN A 49 -10.995 4.041 -5.088 1.00 52.25 O ATOM 808 CB ASN A 49 -9.372 2.287 -7.189 1.00 13.12 C ATOM 809 CG ASN A 49 -8.035 2.529 -7.917 1.00 73.11 C ATOM 810 OD1 ASN A 49 -6.914 2.216 -7.290 1.00 0.22 O flip ATOM 811 ND2 ASN A 49 -8.014 2.986 -9.055 1.00 72.41 N flip ATOM 0 H ASN A 49 -8.664 0.424 -5.671 1.00 60.32 H new ATOM 0 HA ASN A 49 -8.586 3.233 -5.404 1.00 32.45 H new ATOM 0 HB2 ASN A 49 -9.728 1.285 -7.429 1.00 13.12 H new ATOM 0 HB3 ASN A 49 -10.113 2.989 -7.572 1.00 13.12 H new ATOM 0 HD21 ASN A 49 -8.887 3.223 -9.526 1.00 72.41 H new ATOM 0 HD22 ASN A 49 -7.123 3.129 -9.531 1.00 72.41 H new ATOM 818 N GLU A 50 -11.448 1.897 -4.526 1.00 73.54 N ATOM 819 CA GLU A 50 -12.703 2.196 -3.785 1.00 51.21 C ATOM 820 C GLU A 50 -12.411 3.120 -2.565 1.00 23.33 C ATOM 821 O GLU A 50 -13.076 4.143 -2.363 1.00 20.44 O ATOM 822 CB GLU A 50 -13.388 0.871 -3.337 1.00 1.51 C ATOM 823 CG GLU A 50 -14.689 1.029 -2.506 1.00 53.14 C ATOM 824 CD GLU A 50 -15.809 1.813 -3.222 1.00 51.53 C ATOM 825 OE1 GLU A 50 -16.462 1.246 -4.128 1.00 22.40 O ATOM 826 OE2 GLU A 50 -16.054 2.998 -2.880 1.00 45.13 O ATOM 0 H GLU A 50 -11.243 0.901 -4.605 1.00 73.54 H new ATOM 0 HA GLU A 50 -13.387 2.727 -4.447 1.00 51.21 H new ATOM 0 HB2 GLU A 50 -13.617 0.284 -4.226 1.00 1.51 H new ATOM 0 HB3 GLU A 50 -12.673 0.295 -2.750 1.00 1.51 H new ATOM 0 HG2 GLU A 50 -15.063 0.039 -2.247 1.00 53.14 H new ATOM 0 HG3 GLU A 50 -14.449 1.534 -1.570 1.00 53.14 H new ATOM 833 N MET A 51 -11.380 2.760 -1.781 1.00 40.21 N ATOM 834 CA MET A 51 -10.892 3.583 -0.649 1.00 51.51 C ATOM 835 C MET A 51 -10.204 4.886 -1.148 1.00 65.02 C ATOM 836 O MET A 51 -10.459 5.988 -0.639 1.00 34.33 O ATOM 837 CB MET A 51 -9.906 2.737 0.211 1.00 74.32 C ATOM 838 CG MET A 51 -9.175 3.523 1.312 1.00 21.11 C ATOM 839 SD MET A 51 -10.309 4.402 2.410 1.00 44.35 S ATOM 840 CE MET A 51 -9.188 5.414 3.381 1.00 21.42 C ATOM 0 H MET A 51 -10.859 1.893 -1.910 1.00 40.21 H new ATOM 0 HA MET A 51 -11.745 3.881 -0.040 1.00 51.51 H new ATOM 0 HB2 MET A 51 -10.459 1.919 0.674 1.00 74.32 H new ATOM 0 HB3 MET A 51 -9.164 2.287 -0.449 1.00 74.32 H new ATOM 0 HG2 MET A 51 -8.566 2.836 1.900 1.00 21.11 H new ATOM 0 HG3 MET A 51 -8.494 4.239 0.851 1.00 21.11 H new ATOM 0 HE1 MET A 51 -9.724 6.279 3.771 1.00 21.42 H new ATOM 0 HE2 MET A 51 -8.794 4.827 4.211 1.00 21.42 H new ATOM 0 HE3 MET A 51 -8.364 5.751 2.752 1.00 21.42 H new ATOM 850 N MET A 52 -9.361 4.734 -2.182 1.00 13.01 N ATOM 851 CA MET A 52 -8.475 5.803 -2.701 1.00 31.50 C ATOM 852 C MET A 52 -9.257 6.996 -3.331 1.00 61.41 C ATOM 853 O MET A 52 -8.866 8.138 -3.152 1.00 41.25 O ATOM 854 CB MET A 52 -7.494 5.174 -3.731 1.00 54.04 C ATOM 855 CG MET A 52 -6.498 6.138 -4.393 1.00 70.23 C ATOM 856 SD MET A 52 -5.539 5.339 -5.698 1.00 13.11 S ATOM 857 CE MET A 52 -4.731 6.746 -6.466 1.00 0.22 C ATOM 0 H MET A 52 -9.270 3.855 -2.692 1.00 13.01 H new ATOM 0 HA MET A 52 -7.925 6.226 -1.860 1.00 31.50 H new ATOM 0 HB2 MET A 52 -6.929 4.388 -3.230 1.00 54.04 H new ATOM 0 HB3 MET A 52 -8.081 4.695 -4.515 1.00 54.04 H new ATOM 0 HG2 MET A 52 -7.040 6.987 -4.810 1.00 70.23 H new ATOM 0 HG3 MET A 52 -5.820 6.533 -3.636 1.00 70.23 H new ATOM 0 HE1 MET A 52 -4.105 6.401 -7.289 1.00 0.22 H new ATOM 0 HE2 MET A 52 -5.485 7.435 -6.847 1.00 0.22 H new ATOM 0 HE3 MET A 52 -4.112 7.257 -5.729 1.00 0.22 H new ATOM 867 N SER A 53 -10.382 6.715 -4.025 1.00 63.24 N ATOM 868 CA SER A 53 -11.174 7.754 -4.768 1.00 65.44 C ATOM 869 C SER A 53 -11.678 8.913 -3.871 1.00 61.15 C ATOM 870 O SER A 53 -11.927 10.017 -4.371 1.00 32.52 O ATOM 871 CB SER A 53 -12.383 7.105 -5.495 1.00 54.34 C ATOM 872 OG SER A 53 -11.965 6.237 -6.539 1.00 43.50 O ATOM 0 H SER A 53 -10.774 5.776 -4.094 1.00 63.24 H new ATOM 0 HA SER A 53 -10.484 8.187 -5.492 1.00 65.44 H new ATOM 0 HB2 SER A 53 -12.983 6.547 -4.776 1.00 54.34 H new ATOM 0 HB3 SER A 53 -13.023 7.886 -5.906 1.00 54.34 H new ATOM 0 HG SER A 53 -11.597 5.415 -6.153 1.00 43.50 H new ATOM 878 N LYS A 54 -11.827 8.657 -2.559 1.00 32.24 N ATOM 879 CA LYS A 54 -12.347 9.661 -1.596 1.00 0.44 C ATOM 880 C LYS A 54 -11.271 10.690 -1.145 1.00 65.33 C ATOM 881 O LYS A 54 -11.568 11.890 -1.030 1.00 1.32 O ATOM 882 CB LYS A 54 -12.970 8.951 -0.364 1.00 31.40 C ATOM 883 CG LYS A 54 -14.216 8.101 -0.694 1.00 4.51 C ATOM 884 CD LYS A 54 -14.904 7.519 0.562 1.00 64.24 C ATOM 885 CE LYS A 54 -16.219 6.788 0.221 1.00 72.40 C ATOM 886 NZ LYS A 54 -16.934 6.301 1.435 1.00 10.03 N ATOM 0 H LYS A 54 -11.595 7.760 -2.133 1.00 32.24 H new ATOM 0 HA LYS A 54 -13.117 10.228 -2.119 1.00 0.44 H new ATOM 0 HB2 LYS A 54 -12.216 8.310 0.093 1.00 31.40 H new ATOM 0 HB3 LYS A 54 -13.241 9.703 0.377 1.00 31.40 H new ATOM 0 HG2 LYS A 54 -14.932 8.714 -1.242 1.00 4.51 H new ATOM 0 HG3 LYS A 54 -13.926 7.283 -1.354 1.00 4.51 H new ATOM 0 HD2 LYS A 54 -14.224 6.827 1.059 1.00 64.24 H new ATOM 0 HD3 LYS A 54 -15.110 8.324 1.267 1.00 64.24 H new ATOM 0 HE2 LYS A 54 -16.871 7.461 -0.335 1.00 72.40 H new ATOM 0 HE3 LYS A 54 -16.002 5.943 -0.432 1.00 72.40 H new ATOM 0 HZ1 LYS A 54 -17.810 5.818 1.151 1.00 10.03 H new ATOM 0 HZ2 LYS A 54 -16.325 5.637 1.954 1.00 10.03 H new ATOM 0 HZ3 LYS A 54 -17.167 7.108 2.048 1.00 10.03 H new ATOM 900 N GLU A 55 -10.027 10.225 -0.883 1.00 75.14 N ATOM 901 CA GLU A 55 -8.952 11.076 -0.274 1.00 10.22 C ATOM 902 C GLU A 55 -7.597 10.973 -1.025 1.00 43.40 C ATOM 903 O GLU A 55 -6.868 11.969 -1.135 1.00 44.34 O ATOM 904 CB GLU A 55 -8.773 10.705 1.233 1.00 34.05 C ATOM 905 CG GLU A 55 -10.014 11.003 2.107 1.00 35.31 C ATOM 906 CD GLU A 55 -9.844 10.587 3.577 1.00 52.11 C ATOM 907 OE1 GLU A 55 -10.163 9.427 3.914 1.00 32.51 O ATOM 908 OE2 GLU A 55 -9.382 11.413 4.399 1.00 1.12 O ATOM 0 H GLU A 55 -9.733 9.268 -1.080 1.00 75.14 H new ATOM 0 HA GLU A 55 -9.274 12.113 -0.363 1.00 10.22 H new ATOM 0 HB2 GLU A 55 -8.534 9.644 1.309 1.00 34.05 H new ATOM 0 HB3 GLU A 55 -7.920 11.253 1.633 1.00 34.05 H new ATOM 0 HG2 GLU A 55 -10.232 12.070 2.063 1.00 35.31 H new ATOM 0 HG3 GLU A 55 -10.876 10.484 1.688 1.00 35.31 H new ATOM 915 N GLN A 56 -7.283 9.763 -1.526 1.00 13.04 N ATOM 916 CA GLN A 56 -5.992 9.420 -2.212 1.00 61.25 C ATOM 917 C GLN A 56 -4.759 9.483 -1.268 1.00 22.12 C ATOM 918 O GLN A 56 -4.851 9.878 -0.102 1.00 62.44 O ATOM 919 CB GLN A 56 -5.743 10.282 -3.497 1.00 35.24 C ATOM 920 CG GLN A 56 -6.770 10.080 -4.632 1.00 1.22 C ATOM 921 CD GLN A 56 -6.441 10.860 -5.913 1.00 55.32 C ATOM 922 OE1 GLN A 56 -5.840 11.927 -5.875 1.00 23.01 O ATOM 923 NE2 GLN A 56 -6.823 10.330 -7.056 1.00 75.01 N ATOM 0 H GLN A 56 -7.923 8.971 -1.471 1.00 13.04 H new ATOM 0 HA GLN A 56 -6.109 8.382 -2.522 1.00 61.25 H new ATOM 0 HB2 GLN A 56 -5.740 11.335 -3.214 1.00 35.24 H new ATOM 0 HB3 GLN A 56 -4.749 10.053 -3.882 1.00 35.24 H new ATOM 0 HG2 GLN A 56 -6.830 9.018 -4.870 1.00 1.22 H new ATOM 0 HG3 GLN A 56 -7.755 10.383 -4.276 1.00 1.22 H new ATOM 0 HE21 GLN A 56 -7.322 9.441 -7.064 1.00 75.01 H new ATOM 0 HE22 GLN A 56 -6.620 10.809 -7.933 1.00 75.01 H new ATOM 932 N PHE A 57 -3.602 9.038 -1.797 1.00 32.44 N ATOM 933 CA PHE A 57 -2.306 8.999 -1.069 1.00 60.52 C ATOM 934 C PHE A 57 -1.217 9.712 -1.903 1.00 72.20 C ATOM 935 O PHE A 57 -1.450 10.062 -3.066 1.00 73.42 O ATOM 936 CB PHE A 57 -1.911 7.518 -0.781 1.00 41.05 C ATOM 937 CG PHE A 57 -3.014 6.725 -0.059 1.00 12.00 C ATOM 938 CD1 PHE A 57 -3.169 6.807 1.325 1.00 5.32 C ATOM 939 CD2 PHE A 57 -3.930 5.945 -0.778 1.00 52.53 C ATOM 940 CE1 PHE A 57 -4.189 6.127 1.968 1.00 53.24 C ATOM 941 CE2 PHE A 57 -4.945 5.262 -0.128 1.00 55.03 C ATOM 942 CZ PHE A 57 -5.078 5.361 1.242 1.00 3.45 C ATOM 0 H PHE A 57 -3.534 8.690 -2.753 1.00 32.44 H new ATOM 0 HA PHE A 57 -2.403 9.520 -0.117 1.00 60.52 H new ATOM 0 HB2 PHE A 57 -1.674 7.023 -1.722 1.00 41.05 H new ATOM 0 HB3 PHE A 57 -1.005 7.502 -0.175 1.00 41.05 H new ATOM 0 HD1 PHE A 57 -2.484 7.409 1.903 1.00 5.32 H new ATOM 0 HD2 PHE A 57 -3.843 5.876 -1.852 1.00 52.53 H new ATOM 0 HE1 PHE A 57 -4.289 6.196 3.041 1.00 53.24 H new ATOM 0 HE2 PHE A 57 -5.633 4.651 -0.694 1.00 55.03 H new ATOM 0 HZ PHE A 57 -5.878 4.839 1.746 1.00 3.45 H new ATOM 952 N ASN A 58 -0.026 9.924 -1.308 1.00 60.22 N ATOM 953 CA ASN A 58 1.114 10.593 -1.994 1.00 54.15 C ATOM 954 C ASN A 58 1.711 9.681 -3.093 1.00 60.21 C ATOM 955 O ASN A 58 1.617 8.466 -2.992 1.00 23.25 O ATOM 956 CB ASN A 58 2.198 10.985 -0.967 1.00 23.45 C ATOM 957 CG ASN A 58 1.676 11.973 0.081 1.00 14.43 C ATOM 958 OD1 ASN A 58 1.134 11.461 1.166 1.00 41.13 O flip ATOM 959 ND2 ASN A 58 1.745 13.183 -0.091 1.00 1.13 N flip ATOM 0 H ASN A 58 0.179 9.642 -0.349 1.00 60.22 H new ATOM 0 HA ASN A 58 0.742 11.498 -2.474 1.00 54.15 H new ATOM 0 HB2 ASN A 58 2.563 10.088 -0.467 1.00 23.45 H new ATOM 0 HB3 ASN A 58 3.047 11.427 -1.489 1.00 23.45 H new ATOM 0 HD21 ASN A 58 2.170 13.554 -0.941 1.00 1.13 H new ATOM 0 HD22 ASN A 58 1.378 13.820 0.616 1.00 1.13 H new ATOM 966 N GLU A 59 2.333 10.283 -4.127 1.00 33.20 N ATOM 967 CA GLU A 59 2.849 9.534 -5.313 1.00 40.21 C ATOM 968 C GLU A 59 3.952 8.497 -4.955 1.00 2.33 C ATOM 969 O GLU A 59 4.112 7.485 -5.648 1.00 41.25 O ATOM 970 CB GLU A 59 3.360 10.518 -6.400 1.00 74.21 C ATOM 971 CG GLU A 59 4.522 11.437 -5.961 1.00 75.11 C ATOM 972 CD GLU A 59 5.035 12.344 -7.093 1.00 34.14 C ATOM 973 OE1 GLU A 59 4.513 13.470 -7.258 1.00 22.53 O ATOM 974 OE2 GLU A 59 5.950 11.927 -7.836 1.00 42.23 O ATOM 0 H GLU A 59 2.495 11.289 -4.173 1.00 33.20 H new ATOM 0 HA GLU A 59 2.007 8.965 -5.706 1.00 40.21 H new ATOM 0 HB2 GLU A 59 3.682 9.941 -7.267 1.00 74.21 H new ATOM 0 HB3 GLU A 59 2.527 11.142 -6.723 1.00 74.21 H new ATOM 0 HG2 GLU A 59 4.192 12.057 -5.128 1.00 75.11 H new ATOM 0 HG3 GLU A 59 5.345 10.823 -5.595 1.00 75.11 H new ATOM 981 N ALA A 60 4.706 8.762 -3.872 1.00 45.11 N ATOM 982 CA ALA A 60 5.708 7.809 -3.335 1.00 10.22 C ATOM 983 C ALA A 60 5.028 6.594 -2.662 1.00 31.43 C ATOM 984 O ALA A 60 5.495 5.453 -2.801 1.00 41.35 O ATOM 985 CB ALA A 60 6.638 8.521 -2.345 1.00 44.30 C ATOM 0 H ALA A 60 4.643 9.633 -3.345 1.00 45.11 H new ATOM 0 HA ALA A 60 6.300 7.436 -4.171 1.00 10.22 H new ATOM 0 HB1 ALA A 60 7.369 7.811 -1.958 1.00 44.30 H new ATOM 0 HB2 ALA A 60 7.156 9.335 -2.853 1.00 44.30 H new ATOM 0 HB3 ALA A 60 6.051 8.924 -1.520 1.00 44.30 H new ATOM 991 N GLN A 61 3.928 6.865 -1.933 1.00 33.24 N ATOM 992 CA GLN A 61 3.084 5.821 -1.314 1.00 72.40 C ATOM 993 C GLN A 61 2.443 4.921 -2.392 1.00 62.23 C ATOM 994 O GLN A 61 2.621 3.713 -2.366 1.00 31.30 O ATOM 995 CB GLN A 61 1.977 6.467 -0.432 1.00 30.30 C ATOM 996 CG GLN A 61 2.507 7.199 0.814 1.00 12.33 C ATOM 997 CD GLN A 61 1.417 7.846 1.680 1.00 74.44 C ATOM 998 OE1 GLN A 61 0.270 7.416 1.702 1.00 11.33 O ATOM 999 NE2 GLN A 61 1.777 8.865 2.437 1.00 52.24 N ATOM 0 H GLN A 61 3.598 7.814 -1.756 1.00 33.24 H new ATOM 0 HA GLN A 61 3.722 5.203 -0.682 1.00 72.40 H new ATOM 0 HB2 GLN A 61 1.410 7.172 -1.040 1.00 30.30 H new ATOM 0 HB3 GLN A 61 1.282 5.690 -0.114 1.00 30.30 H new ATOM 0 HG2 GLN A 61 3.068 6.492 1.425 1.00 12.33 H new ATOM 0 HG3 GLN A 61 3.208 7.971 0.496 1.00 12.33 H new ATOM 0 HE21 GLN A 61 2.736 9.210 2.406 1.00 52.24 H new ATOM 0 HE22 GLN A 61 1.096 9.308 3.054 1.00 52.24 H new ATOM 1008 N LEU A 62 1.737 5.554 -3.351 1.00 62.24 N ATOM 1009 CA LEU A 62 1.007 4.868 -4.449 1.00 33.11 C ATOM 1010 C LEU A 62 1.906 3.903 -5.252 1.00 1.03 C ATOM 1011 O LEU A 62 1.457 2.831 -5.666 1.00 25.41 O ATOM 1012 CB LEU A 62 0.382 5.923 -5.399 1.00 12.12 C ATOM 1013 CG LEU A 62 -0.682 6.867 -4.754 1.00 42.11 C ATOM 1014 CD1 LEU A 62 -1.140 7.967 -5.741 1.00 44.42 C ATOM 1015 CD2 LEU A 62 -1.888 6.062 -4.210 1.00 51.12 C ATOM 0 H LEU A 62 1.654 6.570 -3.389 1.00 62.24 H new ATOM 0 HA LEU A 62 0.224 4.265 -3.989 1.00 33.11 H new ATOM 0 HB2 LEU A 62 1.184 6.536 -5.809 1.00 12.12 H new ATOM 0 HB3 LEU A 62 -0.081 5.402 -6.237 1.00 12.12 H new ATOM 0 HG LEU A 62 -0.207 7.366 -3.909 1.00 42.11 H new ATOM 0 HD11 LEU A 62 -1.880 8.605 -5.257 1.00 44.42 H new ATOM 0 HD12 LEU A 62 -0.282 8.569 -6.039 1.00 44.42 H new ATOM 0 HD13 LEU A 62 -1.581 7.503 -6.623 1.00 44.42 H new ATOM 0 HD21 LEU A 62 -2.612 6.746 -3.767 1.00 51.12 H new ATOM 0 HD22 LEU A 62 -2.358 5.515 -5.027 1.00 51.12 H new ATOM 0 HD23 LEU A 62 -1.544 5.358 -3.453 1.00 51.12 H new ATOM 1027 N ALA A 63 3.169 4.315 -5.469 1.00 51.13 N ATOM 1028 CA ALA A 63 4.196 3.470 -6.109 1.00 41.52 C ATOM 1029 C ALA A 63 4.477 2.195 -5.270 1.00 22.12 C ATOM 1030 O ALA A 63 4.301 1.077 -5.761 1.00 5.24 O ATOM 1031 CB ALA A 63 5.480 4.289 -6.328 1.00 53.12 C ATOM 0 H ALA A 63 3.506 5.241 -5.206 1.00 51.13 H new ATOM 0 HA ALA A 63 3.823 3.140 -7.079 1.00 41.52 H new ATOM 0 HB1 ALA A 63 6.236 3.662 -6.801 1.00 53.12 H new ATOM 0 HB2 ALA A 63 5.262 5.142 -6.971 1.00 53.12 H new ATOM 0 HB3 ALA A 63 5.853 4.645 -5.368 1.00 53.12 H new ATOM 1037 N LEU A 64 4.855 2.394 -3.985 1.00 4.43 N ATOM 1038 CA LEU A 64 5.213 1.289 -3.054 1.00 54.13 C ATOM 1039 C LEU A 64 4.041 0.291 -2.819 1.00 3.12 C ATOM 1040 O LEU A 64 4.259 -0.918 -2.725 1.00 31.21 O ATOM 1041 CB LEU A 64 5.678 1.867 -1.690 1.00 43.42 C ATOM 1042 CG LEU A 64 6.182 0.812 -0.648 1.00 62.01 C ATOM 1043 CD1 LEU A 64 7.465 0.098 -1.134 1.00 74.43 C ATOM 1044 CD2 LEU A 64 6.381 1.440 0.748 1.00 13.14 C ATOM 0 H LEU A 64 4.921 3.320 -3.563 1.00 4.43 H new ATOM 0 HA LEU A 64 6.024 0.735 -3.526 1.00 54.13 H new ATOM 0 HB2 LEU A 64 6.479 2.583 -1.873 1.00 43.42 H new ATOM 0 HB3 LEU A 64 4.850 2.421 -1.248 1.00 43.42 H new ATOM 0 HG LEU A 64 5.403 0.055 -0.556 1.00 62.01 H new ATOM 0 HD11 LEU A 64 7.784 -0.626 -0.385 1.00 74.43 H new ATOM 0 HD12 LEU A 64 7.261 -0.417 -2.073 1.00 74.43 H new ATOM 0 HD13 LEU A 64 8.255 0.833 -1.287 1.00 74.43 H new ATOM 0 HD21 LEU A 64 6.731 0.677 1.444 1.00 13.14 H new ATOM 0 HD22 LEU A 64 7.119 2.240 0.685 1.00 13.14 H new ATOM 0 HD23 LEU A 64 5.434 1.847 1.102 1.00 13.14 H new ATOM 1056 N ILE A 65 2.812 0.829 -2.713 1.00 50.24 N ATOM 1057 CA ILE A 65 1.567 0.035 -2.530 1.00 61.33 C ATOM 1058 C ILE A 65 1.392 -1.008 -3.666 1.00 44.21 C ATOM 1059 O ILE A 65 0.961 -2.135 -3.420 1.00 62.15 O ATOM 1060 CB ILE A 65 0.310 0.999 -2.441 1.00 24.34 C ATOM 1061 CG1 ILE A 65 0.380 1.862 -1.131 1.00 1.22 C ATOM 1062 CG2 ILE A 65 -1.043 0.232 -2.528 1.00 13.23 C ATOM 1063 CD1 ILE A 65 -0.615 3.014 -1.051 1.00 54.31 C ATOM 0 H ILE A 65 2.646 1.835 -2.751 1.00 50.24 H new ATOM 0 HA ILE A 65 1.647 -0.516 -1.593 1.00 61.33 H new ATOM 0 HB ILE A 65 0.348 1.659 -3.307 1.00 24.34 H new ATOM 0 HG12 ILE A 65 0.219 1.206 -0.275 1.00 1.22 H new ATOM 0 HG13 ILE A 65 1.387 2.268 -1.037 1.00 1.22 H new ATOM 0 HG21 ILE A 65 -1.868 0.941 -2.462 1.00 13.23 H new ATOM 0 HG22 ILE A 65 -1.098 -0.302 -3.477 1.00 13.23 H new ATOM 0 HG23 ILE A 65 -1.111 -0.481 -1.706 1.00 13.23 H new ATOM 0 HD11 ILE A 65 -0.482 3.545 -0.108 1.00 54.31 H new ATOM 0 HD12 ILE A 65 -0.445 3.700 -1.881 1.00 54.31 H new ATOM 0 HD13 ILE A 65 -1.631 2.622 -1.107 1.00 54.31 H new ATOM 1075 N ARG A 66 1.765 -0.627 -4.901 1.00 53.34 N ATOM 1076 CA ARG A 66 1.709 -1.535 -6.071 1.00 32.33 C ATOM 1077 C ARG A 66 2.745 -2.687 -5.959 1.00 13.31 C ATOM 1078 O ARG A 66 2.439 -3.825 -6.320 1.00 70.22 O ATOM 1079 CB ARG A 66 1.933 -0.736 -7.375 1.00 71.03 C ATOM 1080 CG ARG A 66 0.895 0.378 -7.627 1.00 41.12 C ATOM 1081 CD ARG A 66 1.219 1.207 -8.879 1.00 73.13 C ATOM 1082 NE ARG A 66 0.293 2.334 -9.070 1.00 3.33 N ATOM 1083 CZ ARG A 66 0.079 2.952 -10.214 1.00 71.23 C ATOM 1084 NH1 ARG A 66 0.634 2.543 -11.315 1.00 45.34 N ATOM 1085 NH2 ARG A 66 -0.712 3.971 -10.259 1.00 64.22 N ATOM 0 H ARG A 66 2.111 0.307 -5.120 1.00 53.34 H new ATOM 0 HA ARG A 66 0.718 -1.988 -6.092 1.00 32.33 H new ATOM 0 HB2 ARG A 66 2.927 -0.290 -7.347 1.00 71.03 H new ATOM 0 HB3 ARG A 66 1.918 -1.427 -8.217 1.00 71.03 H new ATOM 0 HG2 ARG A 66 -0.094 -0.068 -7.736 1.00 41.12 H new ATOM 0 HG3 ARG A 66 0.854 1.036 -6.759 1.00 41.12 H new ATOM 0 HD2 ARG A 66 2.238 1.588 -8.804 1.00 73.13 H new ATOM 0 HD3 ARG A 66 1.184 0.561 -9.756 1.00 73.13 H new ATOM 0 HE ARG A 66 -0.223 2.662 -8.254 1.00 3.33 H new ATOM 0 HH11 ARG A 66 1.249 1.729 -11.305 1.00 45.34 H new ATOM 0 HH12 ARG A 66 0.455 3.036 -12.190 1.00 45.34 H new ATOM 0 HH21 ARG A 66 -1.171 4.298 -9.409 1.00 64.22 H new ATOM 0 HH22 ARG A 66 -0.878 4.449 -11.145 1.00 64.22 H new ATOM 1099 N ASP A 67 3.962 -2.371 -5.457 1.00 21.53 N ATOM 1100 CA ASP A 67 5.031 -3.380 -5.210 1.00 71.23 C ATOM 1101 C ASP A 67 4.601 -4.419 -4.146 1.00 10.24 C ATOM 1102 O ASP A 67 4.723 -5.629 -4.359 1.00 3.52 O ATOM 1103 CB ASP A 67 6.344 -2.689 -4.751 1.00 35.13 C ATOM 1104 CG ASP A 67 6.929 -1.749 -5.808 1.00 62.34 C ATOM 1105 OD1 ASP A 67 6.574 -0.561 -5.825 1.00 75.45 O ATOM 1106 OD2 ASP A 67 7.754 -2.200 -6.633 1.00 11.12 O ATOM 0 H ASP A 67 4.234 -1.419 -5.212 1.00 21.53 H new ATOM 0 HA ASP A 67 5.203 -3.900 -6.152 1.00 71.23 H new ATOM 0 HB2 ASP A 67 6.151 -2.125 -3.839 1.00 35.13 H new ATOM 0 HB3 ASP A 67 7.082 -3.452 -4.504 1.00 35.13 H new ATOM 1111 N ILE A 68 4.091 -3.914 -3.005 1.00 30.14 N ATOM 1112 CA ILE A 68 3.646 -4.750 -1.865 1.00 61.24 C ATOM 1113 C ILE A 68 2.418 -5.627 -2.241 1.00 11.41 C ATOM 1114 O ILE A 68 2.317 -6.778 -1.810 1.00 13.41 O ATOM 1115 CB ILE A 68 3.311 -3.857 -0.604 1.00 62.52 C ATOM 1116 CG1 ILE A 68 4.575 -3.052 -0.143 1.00 41.22 C ATOM 1117 CG2 ILE A 68 2.730 -4.696 0.568 1.00 2.43 C ATOM 1118 CD1 ILE A 68 4.353 -2.118 1.042 1.00 43.22 C ATOM 0 H ILE A 68 3.975 -2.913 -2.845 1.00 30.14 H new ATOM 0 HA ILE A 68 4.472 -5.415 -1.614 1.00 61.24 H new ATOM 0 HB ILE A 68 2.539 -3.148 -0.904 1.00 62.52 H new ATOM 0 HG12 ILE A 68 5.363 -3.760 0.115 1.00 41.22 H new ATOM 0 HG13 ILE A 68 4.939 -2.464 -0.986 1.00 41.22 H new ATOM 0 HG21 ILE A 68 2.515 -4.041 1.412 1.00 2.43 H new ATOM 0 HG22 ILE A 68 1.811 -5.185 0.245 1.00 2.43 H new ATOM 0 HG23 ILE A 68 3.456 -5.451 0.870 1.00 2.43 H new ATOM 0 HD11 ILE A 68 5.286 -1.608 1.283 1.00 43.22 H new ATOM 0 HD12 ILE A 68 3.592 -1.381 0.787 1.00 43.22 H new ATOM 0 HD13 ILE A 68 4.022 -2.697 1.904 1.00 43.22 H new ATOM 1130 N ARG A 69 1.500 -5.069 -3.051 1.00 63.43 N ATOM 1131 CA ARG A 69 0.282 -5.782 -3.520 1.00 31.32 C ATOM 1132 C ARG A 69 0.649 -6.869 -4.567 1.00 2.15 C ATOM 1133 O ARG A 69 0.025 -7.934 -4.627 1.00 60.31 O ATOM 1134 CB ARG A 69 -0.727 -4.739 -4.100 1.00 3.21 C ATOM 1135 CG ARG A 69 -2.207 -5.215 -4.280 1.00 64.22 C ATOM 1136 CD ARG A 69 -2.614 -5.477 -5.741 1.00 63.42 C ATOM 1137 NE ARG A 69 -1.919 -6.633 -6.322 1.00 71.23 N ATOM 1138 CZ ARG A 69 -1.602 -6.787 -7.586 1.00 71.13 C ATOM 1139 NH1 ARG A 69 -1.902 -5.897 -8.475 1.00 2.51 N ATOM 1140 NH2 ARG A 69 -0.985 -7.853 -7.955 1.00 0.21 N ATOM 0 H ARG A 69 1.575 -4.114 -3.402 1.00 63.43 H new ATOM 0 HA ARG A 69 -0.189 -6.295 -2.682 1.00 31.32 H new ATOM 0 HB2 ARG A 69 -0.728 -3.867 -3.446 1.00 3.21 H new ATOM 0 HB3 ARG A 69 -0.355 -4.410 -5.070 1.00 3.21 H new ATOM 0 HG2 ARG A 69 -2.355 -6.129 -3.704 1.00 64.22 H new ATOM 0 HG3 ARG A 69 -2.873 -4.461 -3.859 1.00 64.22 H new ATOM 0 HD2 ARG A 69 -3.690 -5.642 -5.790 1.00 63.42 H new ATOM 0 HD3 ARG A 69 -2.400 -4.591 -6.339 1.00 63.42 H new ATOM 0 HE ARG A 69 -1.659 -7.385 -5.684 1.00 71.23 H new ATOM 0 HH11 ARG A 69 -2.398 -5.049 -8.200 1.00 2.51 H new ATOM 0 HH12 ARG A 69 -1.643 -6.043 -9.451 1.00 2.51 H new ATOM 0 HH21 ARG A 69 -0.747 -8.568 -7.268 1.00 0.21 H new ATOM 0 HH22 ARG A 69 -0.734 -7.983 -8.935 1.00 0.21 H new ATOM 1154 N ARG A 70 1.668 -6.575 -5.396 1.00 44.11 N ATOM 1155 CA ARG A 70 2.196 -7.506 -6.420 1.00 5.33 C ATOM 1156 C ARG A 70 2.975 -8.679 -5.768 1.00 52.11 C ATOM 1157 O ARG A 70 2.982 -9.797 -6.287 1.00 72.15 O ATOM 1158 CB ARG A 70 3.104 -6.717 -7.400 1.00 32.13 C ATOM 1159 CG ARG A 70 3.653 -7.520 -8.600 1.00 64.13 C ATOM 1160 CD ARG A 70 4.560 -6.660 -9.505 1.00 33.11 C ATOM 1161 NE ARG A 70 5.714 -6.111 -8.764 1.00 43.13 N ATOM 1162 CZ ARG A 70 6.126 -4.858 -8.789 1.00 61.12 C ATOM 1163 NH1 ARG A 70 5.489 -3.941 -9.446 1.00 23.33 N ATOM 1164 NH2 ARG A 70 7.177 -4.527 -8.129 1.00 32.44 N ATOM 0 H ARG A 70 2.154 -5.679 -5.377 1.00 44.11 H new ATOM 0 HA ARG A 70 1.361 -7.942 -6.968 1.00 5.33 H new ATOM 0 HB2 ARG A 70 2.540 -5.866 -7.783 1.00 32.13 H new ATOM 0 HB3 ARG A 70 3.948 -6.314 -6.840 1.00 32.13 H new ATOM 0 HG2 ARG A 70 4.216 -8.379 -8.234 1.00 64.13 H new ATOM 0 HG3 ARG A 70 2.821 -7.910 -9.186 1.00 64.13 H new ATOM 0 HD2 ARG A 70 4.918 -7.263 -10.339 1.00 33.11 H new ATOM 0 HD3 ARG A 70 3.978 -5.842 -9.930 1.00 33.11 H new ATOM 0 HE ARG A 70 6.241 -6.760 -8.179 1.00 43.13 H new ATOM 0 HH11 ARG A 70 4.643 -4.179 -9.964 1.00 23.33 H new ATOM 0 HH12 ARG A 70 5.833 -2.981 -9.446 1.00 23.33 H new ATOM 0 HH21 ARG A 70 7.685 -5.230 -7.592 1.00 32.44 H new ATOM 0 HH22 ARG A 70 7.504 -3.561 -8.142 1.00 32.44 H new ATOM 1178 N ARG A 71 3.635 -8.392 -4.631 1.00 74.12 N ATOM 1179 CA ARG A 71 4.360 -9.401 -3.823 1.00 51.12 C ATOM 1180 C ARG A 71 3.336 -10.294 -3.060 1.00 32.44 C ATOM 1181 O ARG A 71 3.309 -11.520 -3.233 1.00 11.44 O ATOM 1182 CB ARG A 71 5.357 -8.660 -2.864 1.00 45.43 C ATOM 1183 CG ARG A 71 6.342 -9.554 -2.048 1.00 21.14 C ATOM 1184 CD ARG A 71 5.734 -10.136 -0.754 1.00 24.45 C ATOM 1185 NE ARG A 71 6.637 -11.100 -0.101 1.00 62.11 N ATOM 1186 CZ ARG A 71 6.268 -12.036 0.750 1.00 2.23 C ATOM 1187 NH1 ARG A 71 5.020 -12.220 1.056 1.00 74.04 N ATOM 1188 NH2 ARG A 71 7.164 -12.807 1.278 1.00 50.24 N ATOM 0 H ARG A 71 3.683 -7.450 -4.242 1.00 74.12 H new ATOM 0 HA ARG A 71 4.945 -10.065 -4.459 1.00 51.12 H new ATOM 0 HB2 ARG A 71 5.945 -7.961 -3.459 1.00 45.43 H new ATOM 0 HB3 ARG A 71 4.774 -8.066 -2.160 1.00 45.43 H new ATOM 0 HG2 ARG A 71 6.680 -10.375 -2.680 1.00 21.14 H new ATOM 0 HG3 ARG A 71 7.223 -8.966 -1.791 1.00 21.14 H new ATOM 0 HD2 ARG A 71 5.510 -9.324 -0.062 1.00 24.45 H new ATOM 0 HD3 ARG A 71 4.789 -10.626 -0.987 1.00 24.45 H new ATOM 0 HE ARG A 71 7.630 -11.038 -0.326 1.00 62.11 H new ATOM 0 HH11 ARG A 71 4.300 -11.633 0.635 1.00 74.04 H new ATOM 0 HH12 ARG A 71 4.760 -12.951 1.718 1.00 74.04 H new ATOM 0 HH21 ARG A 71 8.147 -12.687 1.034 1.00 50.24 H new ATOM 0 HH22 ARG A 71 6.887 -13.534 1.938 1.00 50.24 H new