USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 MET CE :methyl -158:sc= -0.176 (180deg=-0.664) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -151:sc= 0.967 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.26) USER MOD Single : A 49 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.82) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.313! C(o=-0.31!,f=-8.9!) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -7.928 -7.623 0.835 1.00 55.43 N ATOM 350 CA ASP A 24 -6.664 -6.882 0.911 1.00 10.22 C ATOM 351 C ASP A 24 -5.844 -7.276 2.155 1.00 41.43 C ATOM 352 O ASP A 24 -4.624 -7.440 2.082 1.00 23.03 O ATOM 353 CB ASP A 24 -6.957 -5.376 0.908 1.00 55.23 C ATOM 354 CG ASP A 24 -7.735 -4.947 -0.330 1.00 42.23 C ATOM 355 OD1 ASP A 24 -8.887 -5.403 -0.501 1.00 75.12 O ATOM 356 OD2 ASP A 24 -7.200 -4.165 -1.141 1.00 3.02 O ATOM 0 HA ASP A 24 -6.062 -7.138 0.039 1.00 10.22 H new ATOM 0 HB2 ASP A 24 -7.525 -5.116 1.801 1.00 55.23 H new ATOM 0 HB3 ASP A 24 -6.018 -4.824 0.955 1.00 55.23 H new ATOM 361 N GLU A 25 -6.532 -7.447 3.287 1.00 41.10 N ATOM 362 CA GLU A 25 -5.894 -7.898 4.534 1.00 52.45 C ATOM 363 C GLU A 25 -5.207 -9.262 4.355 1.00 52.13 C ATOM 364 O GLU A 25 -4.051 -9.443 4.746 1.00 14.52 O ATOM 365 CB GLU A 25 -6.933 -7.983 5.669 1.00 45.03 C ATOM 366 CG GLU A 25 -7.419 -6.629 6.179 1.00 75.30 C ATOM 367 CD GLU A 25 -6.319 -5.840 6.877 1.00 22.32 C ATOM 368 OE1 GLU A 25 -6.072 -6.083 8.080 1.00 40.14 O ATOM 369 OE2 GLU A 25 -5.682 -4.989 6.228 1.00 23.54 O ATOM 0 H GLU A 25 -7.535 -7.280 3.369 1.00 41.10 H new ATOM 0 HA GLU A 25 -5.131 -7.165 4.796 1.00 52.45 H new ATOM 0 HB2 GLU A 25 -7.792 -8.555 5.318 1.00 45.03 H new ATOM 0 HB3 GLU A 25 -6.500 -8.537 6.501 1.00 45.03 H new ATOM 0 HG2 GLU A 25 -7.805 -6.046 5.342 1.00 75.30 H new ATOM 0 HG3 GLU A 25 -8.248 -6.781 6.871 1.00 75.30 H new ATOM 376 N ARG A 26 -5.919 -10.218 3.751 1.00 53.15 N ATOM 377 CA ARG A 26 -5.367 -11.561 3.540 1.00 40.10 C ATOM 378 C ARG A 26 -4.228 -11.544 2.506 1.00 42.52 C ATOM 379 O ARG A 26 -3.268 -12.305 2.619 1.00 42.32 O ATOM 380 CB ARG A 26 -6.468 -12.548 3.123 1.00 41.11 C ATOM 381 CG ARG A 26 -7.600 -12.665 4.144 1.00 10.04 C ATOM 382 CD ARG A 26 -8.507 -13.861 3.870 1.00 73.23 C ATOM 383 NE ARG A 26 -7.824 -15.136 4.095 1.00 3.21 N ATOM 384 CZ ARG A 26 -8.384 -16.307 3.946 1.00 40.34 C ATOM 385 NH1 ARG A 26 -9.614 -16.410 3.554 1.00 31.05 N ATOM 386 NH2 ARG A 26 -7.706 -17.378 4.203 1.00 34.11 N ATOM 0 H ARG A 26 -6.869 -10.090 3.402 1.00 53.15 H new ATOM 0 HA ARG A 26 -4.949 -11.898 4.489 1.00 40.10 H new ATOM 0 HB2 ARG A 26 -6.884 -12.233 2.166 1.00 41.11 H new ATOM 0 HB3 ARG A 26 -6.024 -13.532 2.970 1.00 41.11 H new ATOM 0 HG2 ARG A 26 -7.176 -12.755 5.144 1.00 10.04 H new ATOM 0 HG3 ARG A 26 -8.194 -11.751 4.131 1.00 10.04 H new ATOM 0 HD2 ARG A 26 -9.386 -13.803 4.512 1.00 73.23 H new ATOM 0 HD3 ARG A 26 -8.862 -13.818 2.840 1.00 73.23 H new ATOM 0 HE ARG A 26 -6.847 -15.108 4.387 1.00 3.21 H new ATOM 0 HH11 ARG A 26 -10.159 -15.570 3.357 1.00 31.05 H new ATOM 0 HH12 ARG A 26 -10.038 -17.331 3.442 1.00 31.05 H new ATOM 0 HH21 ARG A 26 -6.739 -17.306 4.520 1.00 34.11 H new ATOM 0 HH22 ARG A 26 -8.138 -18.295 4.088 1.00 34.11 H new ATOM 400 N ARG A 27 -4.335 -10.668 1.505 1.00 53.24 N ATOM 401 CA ARG A 27 -3.243 -10.460 0.542 1.00 65.44 C ATOM 402 C ARG A 27 -1.961 -10.010 1.263 1.00 51.34 C ATOM 403 O ARG A 27 -0.866 -10.512 0.992 1.00 25.34 O ATOM 404 CB ARG A 27 -3.634 -9.408 -0.511 1.00 0.24 C ATOM 405 CG ARG A 27 -4.718 -9.864 -1.487 1.00 30.13 C ATOM 406 CD ARG A 27 -4.999 -8.805 -2.554 1.00 22.51 C ATOM 407 NE ARG A 27 -5.894 -9.299 -3.599 1.00 40.43 N ATOM 408 CZ ARG A 27 -6.046 -8.737 -4.771 1.00 14.33 C ATOM 409 NH1 ARG A 27 -5.395 -7.660 -5.085 1.00 45.23 N ATOM 410 NH2 ARG A 27 -6.853 -9.264 -5.628 1.00 35.23 N ATOM 0 H ARG A 27 -5.160 -10.092 1.337 1.00 53.24 H new ATOM 0 HA ARG A 27 -3.057 -11.410 0.042 1.00 65.44 H new ATOM 0 HB2 ARG A 27 -3.978 -8.509 0.001 1.00 0.24 H new ATOM 0 HB3 ARG A 27 -2.745 -9.131 -1.078 1.00 0.24 H new ATOM 0 HG2 ARG A 27 -4.408 -10.792 -1.968 1.00 30.13 H new ATOM 0 HG3 ARG A 27 -5.635 -10.080 -0.938 1.00 30.13 H new ATOM 0 HD2 ARG A 27 -5.441 -7.927 -2.084 1.00 22.51 H new ATOM 0 HD3 ARG A 27 -4.059 -8.486 -3.004 1.00 22.51 H new ATOM 0 HE ARG A 27 -6.437 -10.139 -3.401 1.00 40.43 H new ATOM 0 HH11 ARG A 27 -4.753 -7.238 -4.414 1.00 45.23 H new ATOM 0 HH12 ARG A 27 -5.525 -7.235 -6.003 1.00 45.23 H new ATOM 0 HH21 ARG A 27 -7.367 -10.112 -5.390 1.00 35.23 H new ATOM 0 HH22 ARG A 27 -6.977 -8.832 -6.544 1.00 35.23 H new ATOM 424 N ALA A 28 -2.118 -9.069 2.194 1.00 73.03 N ATOM 425 CA ALA A 28 -0.991 -8.527 2.957 1.00 20.34 C ATOM 426 C ALA A 28 -0.263 -9.614 3.766 1.00 31.44 C ATOM 427 O ALA A 28 0.963 -9.720 3.719 1.00 20.15 O ATOM 428 CB ALA A 28 -1.476 -7.417 3.886 1.00 73.22 C ATOM 0 H ALA A 28 -3.021 -8.663 2.440 1.00 73.03 H new ATOM 0 HA ALA A 28 -0.276 -8.120 2.242 1.00 20.34 H new ATOM 0 HB1 ALA A 28 -0.632 -7.020 4.450 1.00 73.22 H new ATOM 0 HB2 ALA A 28 -1.926 -6.619 3.295 1.00 73.22 H new ATOM 0 HB3 ALA A 28 -2.217 -7.819 4.577 1.00 73.22 H new ATOM 434 N LEU A 29 -1.023 -10.424 4.502 1.00 3.04 N ATOM 435 CA LEU A 29 -0.433 -11.465 5.357 1.00 72.22 C ATOM 436 C LEU A 29 0.039 -12.693 4.554 1.00 75.03 C ATOM 437 O LEU A 29 0.887 -13.455 5.020 1.00 3.35 O ATOM 438 CB LEU A 29 -1.423 -11.868 6.471 1.00 43.03 C ATOM 439 CG LEU A 29 -2.827 -12.317 6.013 1.00 4.34 C ATOM 440 CD1 LEU A 29 -2.834 -13.778 5.562 1.00 71.05 C ATOM 441 CD2 LEU A 29 -3.856 -12.085 7.121 1.00 62.41 C ATOM 0 H LEU A 29 -2.042 -10.384 4.527 1.00 3.04 H new ATOM 0 HA LEU A 29 0.459 -11.041 5.818 1.00 72.22 H new ATOM 0 HB2 LEU A 29 -0.977 -12.678 7.048 1.00 43.03 H new ATOM 0 HB3 LEU A 29 -1.539 -11.021 7.147 1.00 43.03 H new ATOM 0 HG LEU A 29 -3.103 -11.708 5.152 1.00 4.34 H new ATOM 0 HD11 LEU A 29 -3.840 -14.057 5.247 1.00 71.05 H new ATOM 0 HD12 LEU A 29 -2.144 -13.904 4.727 1.00 71.05 H new ATOM 0 HD13 LEU A 29 -2.523 -14.416 6.389 1.00 71.05 H new ATOM 0 HD21 LEU A 29 -4.839 -12.408 6.778 1.00 62.41 H new ATOM 0 HD22 LEU A 29 -3.574 -12.657 8.005 1.00 62.41 H new ATOM 0 HD23 LEU A 29 -3.889 -11.024 7.370 1.00 62.41 H new ATOM 453 N ALA A 30 -0.508 -12.880 3.351 1.00 30.43 N ATOM 454 CA ALA A 30 -0.077 -13.974 2.466 1.00 45.22 C ATOM 455 C ALA A 30 1.302 -13.690 1.847 1.00 24.41 C ATOM 456 O ALA A 30 2.182 -14.554 1.832 1.00 61.34 O ATOM 457 CB ALA A 30 -1.109 -14.208 1.367 1.00 10.13 C ATOM 0 H ALA A 30 -1.247 -12.293 2.965 1.00 30.43 H new ATOM 0 HA ALA A 30 0.008 -14.875 3.073 1.00 45.22 H new ATOM 0 HB1 ALA A 30 -0.775 -15.020 0.721 1.00 10.13 H new ATOM 0 HB2 ALA A 30 -2.066 -14.472 1.817 1.00 10.13 H new ATOM 0 HB3 ALA A 30 -1.224 -13.299 0.777 1.00 10.13 H new ATOM 463 N MET A 31 1.476 -12.474 1.331 1.00 64.12 N ATOM 464 CA MET A 31 2.771 -12.031 0.790 1.00 54.22 C ATOM 465 C MET A 31 3.706 -11.560 1.913 1.00 2.45 C ATOM 466 O MET A 31 4.901 -11.352 1.697 1.00 2.41 O ATOM 467 CB MET A 31 2.555 -10.889 -0.214 1.00 42.23 C ATOM 468 CG MET A 31 1.806 -11.308 -1.472 1.00 42.43 C ATOM 469 SD MET A 31 2.778 -12.404 -2.527 1.00 63.13 S ATOM 470 CE MET A 31 4.122 -11.318 -3.012 1.00 54.31 C ATOM 0 H MET A 31 0.738 -11.773 1.274 1.00 64.12 H new ATOM 0 HA MET A 31 3.236 -12.878 0.286 1.00 54.22 H new ATOM 0 HB2 MET A 31 2.003 -10.087 0.276 1.00 42.23 H new ATOM 0 HB3 MET A 31 3.525 -10.480 -0.499 1.00 42.23 H new ATOM 0 HG2 MET A 31 0.880 -11.809 -1.189 1.00 42.43 H new ATOM 0 HG3 MET A 31 1.527 -10.419 -2.037 1.00 42.43 H new ATOM 0 HE1 MET A 31 4.573 -11.687 -3.933 1.00 54.31 H new ATOM 0 HE2 MET A 31 3.736 -10.312 -3.174 1.00 54.31 H new ATOM 0 HE3 MET A 31 4.874 -11.295 -2.223 1.00 54.31 H new ATOM 480 N LYS A 32 3.136 -11.396 3.106 1.00 73.12 N ATOM 481 CA LYS A 32 3.847 -10.889 4.288 1.00 20.13 C ATOM 482 C LYS A 32 4.314 -9.437 4.104 1.00 55.44 C ATOM 483 O LYS A 32 5.450 -9.174 3.701 1.00 63.12 O ATOM 484 CB LYS A 32 5.035 -11.784 4.676 1.00 42.44 C ATOM 485 CG LYS A 32 4.646 -13.216 5.041 1.00 1.24 C ATOM 486 CD LYS A 32 5.728 -13.902 5.877 1.00 60.44 C ATOM 487 CE LYS A 32 7.081 -13.904 5.177 1.00 13.33 C ATOM 488 NZ LYS A 32 8.166 -14.365 6.081 1.00 15.51 N ATOM 0 H LYS A 32 2.156 -11.613 3.285 1.00 73.12 H new ATOM 0 HA LYS A 32 3.126 -10.911 5.105 1.00 20.13 H new ATOM 0 HB2 LYS A 32 5.741 -11.811 3.846 1.00 42.44 H new ATOM 0 HB3 LYS A 32 5.554 -11.333 5.522 1.00 42.44 H new ATOM 0 HG2 LYS A 32 3.708 -13.208 5.596 1.00 1.24 H new ATOM 0 HG3 LYS A 32 4.472 -13.789 4.130 1.00 1.24 H new ATOM 0 HD2 LYS A 32 5.819 -13.395 6.838 1.00 60.44 H new ATOM 0 HD3 LYS A 32 5.427 -14.929 6.086 1.00 60.44 H new ATOM 0 HE2 LYS A 32 7.037 -14.552 4.301 1.00 13.33 H new ATOM 0 HE3 LYS A 32 7.307 -12.900 4.819 1.00 13.33 H new ATOM 0 HZ1 LYS A 32 9.072 -14.353 5.570 1.00 15.51 H new ATOM 0 HZ2 LYS A 32 8.224 -13.732 6.904 1.00 15.51 H new ATOM 0 HZ3 LYS A 32 7.962 -15.333 6.402 1.00 15.51 H new ATOM 502 N ILE A 33 3.410 -8.501 4.375 1.00 65.41 N ATOM 503 CA ILE A 33 3.733 -7.073 4.370 1.00 44.44 C ATOM 504 C ILE A 33 4.123 -6.607 5.789 1.00 21.12 C ATOM 505 O ILE A 33 3.296 -6.616 6.699 1.00 51.11 O ATOM 506 CB ILE A 33 2.534 -6.233 3.855 1.00 42.22 C ATOM 507 CG1 ILE A 33 2.174 -6.637 2.413 1.00 25.52 C ATOM 508 CG2 ILE A 33 2.834 -4.736 3.936 1.00 2.13 C ATOM 509 CD1 ILE A 33 3.296 -6.431 1.410 1.00 1.14 C ATOM 0 H ILE A 33 2.437 -8.706 4.603 1.00 65.41 H new ATOM 0 HA ILE A 33 4.577 -6.922 3.697 1.00 44.44 H new ATOM 0 HB ILE A 33 1.678 -6.438 4.497 1.00 42.22 H new ATOM 0 HG12 ILE A 33 1.882 -7.687 2.404 1.00 25.52 H new ATOM 0 HG13 ILE A 33 1.305 -6.062 2.093 1.00 25.52 H new ATOM 0 HG21 ILE A 33 1.976 -4.173 3.569 1.00 2.13 H new ATOM 0 HG22 ILE A 33 3.033 -4.460 4.972 1.00 2.13 H new ATOM 0 HG23 ILE A 33 3.707 -4.506 3.326 1.00 2.13 H new ATOM 0 HD11 ILE A 33 2.960 -6.740 0.420 1.00 1.14 H new ATOM 0 HD12 ILE A 33 3.574 -5.377 1.387 1.00 1.14 H new ATOM 0 HD13 ILE A 33 4.160 -7.028 1.703 1.00 1.14 H new ATOM 521 N PRO A 34 5.389 -6.186 5.996 1.00 3.05 N ATOM 522 CA PRO A 34 5.911 -5.842 7.339 1.00 14.55 C ATOM 523 C PRO A 34 5.440 -4.473 7.877 1.00 14.21 C ATOM 524 O PRO A 34 6.101 -3.879 8.734 1.00 34.42 O ATOM 525 CB PRO A 34 7.429 -5.842 7.113 1.00 34.44 C ATOM 526 CG PRO A 34 7.591 -5.432 5.688 1.00 44.12 C ATOM 527 CD PRO A 34 6.416 -6.019 4.947 1.00 51.24 C ATOM 0 HA PRO A 34 5.556 -6.543 8.095 1.00 14.55 H new ATOM 0 HB2 PRO A 34 7.931 -5.147 7.786 1.00 34.44 H new ATOM 0 HB3 PRO A 34 7.858 -6.828 7.294 1.00 34.44 H new ATOM 0 HG2 PRO A 34 7.607 -4.346 5.595 1.00 44.12 H new ATOM 0 HG3 PRO A 34 8.532 -5.801 5.281 1.00 44.12 H new ATOM 0 HD2 PRO A 34 6.073 -5.357 4.152 1.00 51.24 H new ATOM 0 HD3 PRO A 34 6.671 -6.971 4.481 1.00 51.24 H new ATOM 535 N PHE A 35 4.294 -3.987 7.402 1.00 61.41 N ATOM 536 CA PHE A 35 3.744 -2.704 7.861 1.00 41.45 C ATOM 537 C PHE A 35 2.215 -2.637 7.667 1.00 50.22 C ATOM 538 O PHE A 35 1.660 -3.303 6.790 1.00 3.42 O ATOM 539 CB PHE A 35 4.443 -1.523 7.157 1.00 55.15 C ATOM 540 CG PHE A 35 4.466 -1.609 5.651 1.00 34.03 C ATOM 541 CD1 PHE A 35 3.435 -1.076 4.890 1.00 73.21 C ATOM 542 CD2 PHE A 35 5.529 -2.212 4.995 1.00 63.22 C ATOM 543 CE1 PHE A 35 3.464 -1.152 3.509 1.00 55.12 C ATOM 544 CE2 PHE A 35 5.563 -2.287 3.619 1.00 41.44 C ATOM 545 CZ PHE A 35 4.530 -1.755 2.873 1.00 12.42 C ATOM 0 H PHE A 35 3.725 -4.459 6.699 1.00 61.41 H new ATOM 0 HA PHE A 35 3.940 -2.627 8.931 1.00 41.45 H new ATOM 0 HB2 PHE A 35 3.944 -0.598 7.447 1.00 55.15 H new ATOM 0 HB3 PHE A 35 5.469 -1.458 7.519 1.00 55.15 H new ATOM 0 HD1 PHE A 35 2.601 -0.597 5.381 1.00 73.21 H new ATOM 0 HD2 PHE A 35 6.342 -2.629 5.571 1.00 63.22 H new ATOM 0 HE1 PHE A 35 2.652 -0.739 2.928 1.00 55.12 H new ATOM 0 HE2 PHE A 35 6.398 -2.762 3.124 1.00 41.44 H new ATOM 0 HZ PHE A 35 4.556 -1.811 1.795 1.00 12.42 H new ATOM 555 N PRO A 36 1.514 -1.828 8.492 1.00 72.22 N ATOM 556 CA PRO A 36 0.038 -1.738 8.471 1.00 65.21 C ATOM 557 C PRO A 36 -0.535 -1.199 7.147 1.00 1.13 C ATOM 558 O PRO A 36 0.009 -0.269 6.546 1.00 3.45 O ATOM 559 CB PRO A 36 -0.272 -0.766 9.623 1.00 21.02 C ATOM 560 CG PRO A 36 0.980 0.017 9.809 1.00 12.13 C ATOM 561 CD PRO A 36 2.100 -0.937 9.512 1.00 72.41 C ATOM 0 HA PRO A 36 -0.416 -2.723 8.575 1.00 65.21 H new ATOM 0 HB2 PRO A 36 -1.112 -0.116 9.377 1.00 21.02 H new ATOM 0 HB3 PRO A 36 -0.541 -1.304 10.532 1.00 21.02 H new ATOM 0 HG2 PRO A 36 1.008 0.876 9.139 1.00 12.13 H new ATOM 0 HG3 PRO A 36 1.053 0.403 10.826 1.00 12.13 H new ATOM 0 HD2 PRO A 36 2.983 -0.419 9.137 1.00 72.41 H new ATOM 0 HD3 PRO A 36 2.408 -1.488 10.401 1.00 72.41 H new ATOM 569 N THR A 37 -1.660 -1.777 6.716 1.00 14.44 N ATOM 570 CA THR A 37 -2.336 -1.349 5.483 1.00 3.13 C ATOM 571 C THR A 37 -2.904 0.071 5.610 1.00 21.22 C ATOM 572 O THR A 37 -3.135 0.747 4.606 1.00 73.13 O ATOM 573 CB THR A 37 -3.476 -2.318 5.089 1.00 72.14 C ATOM 574 OG1 THR A 37 -4.404 -2.459 6.175 1.00 31.33 O ATOM 575 CG2 THR A 37 -2.926 -3.690 4.707 1.00 61.43 C ATOM 0 H THR A 37 -2.124 -2.544 7.202 1.00 14.44 H new ATOM 0 HA THR A 37 -1.577 -1.358 4.701 1.00 3.13 H new ATOM 0 HB THR A 37 -3.988 -1.897 4.224 1.00 72.14 H new ATOM 0 HG1 THR A 37 -4.826 -3.343 6.132 1.00 31.33 H new ATOM 0 HG21 THR A 37 -3.750 -4.349 4.435 1.00 61.43 H new ATOM 0 HG22 THR A 37 -2.248 -3.587 3.859 1.00 61.43 H new ATOM 0 HG23 THR A 37 -2.386 -4.114 5.554 1.00 61.43 H new ATOM 583 N ASP A 38 -3.127 0.522 6.847 1.00 2.42 N ATOM 584 CA ASP A 38 -3.558 1.899 7.101 1.00 24.44 C ATOM 585 C ASP A 38 -2.540 2.903 6.538 1.00 55.24 C ATOM 586 O ASP A 38 -2.871 3.729 5.686 1.00 21.22 O ATOM 587 CB ASP A 38 -3.735 2.130 8.603 1.00 24.22 C ATOM 588 CG ASP A 38 -4.760 1.196 9.212 1.00 52.14 C ATOM 589 OD1 ASP A 38 -5.963 1.543 9.213 1.00 55.10 O ATOM 590 OD2 ASP A 38 -4.367 0.112 9.697 1.00 41.55 O ATOM 0 H ASP A 38 -3.016 -0.045 7.687 1.00 2.42 H new ATOM 0 HA ASP A 38 -4.513 2.053 6.599 1.00 24.44 H new ATOM 0 HB2 ASP A 38 -2.777 1.992 9.105 1.00 24.22 H new ATOM 0 HB3 ASP A 38 -4.039 3.162 8.776 1.00 24.22 H new ATOM 595 N LYS A 39 -1.293 2.800 7.007 1.00 63.44 N ATOM 596 CA LYS A 39 -0.208 3.690 6.570 1.00 43.33 C ATOM 597 C LYS A 39 -0.109 3.761 5.036 1.00 20.31 C ATOM 598 O LYS A 39 0.177 4.820 4.471 1.00 71.41 O ATOM 599 CB LYS A 39 1.130 3.230 7.176 1.00 24.04 C ATOM 600 CG LYS A 39 2.330 4.058 6.722 1.00 5.25 C ATOM 601 CD LYS A 39 3.609 3.708 7.483 1.00 11.10 C ATOM 602 CE LYS A 39 3.549 4.155 8.939 1.00 25.22 C ATOM 603 NZ LYS A 39 4.867 4.014 9.615 1.00 41.23 N ATOM 0 H LYS A 39 -1.006 2.104 7.695 1.00 63.44 H new ATOM 0 HA LYS A 39 -0.437 4.694 6.928 1.00 43.33 H new ATOM 0 HB2 LYS A 39 1.060 3.275 8.263 1.00 24.04 H new ATOM 0 HB3 LYS A 39 1.299 2.187 6.910 1.00 24.04 H new ATOM 0 HG2 LYS A 39 2.492 3.901 5.656 1.00 5.25 H new ATOM 0 HG3 LYS A 39 2.109 5.117 6.859 1.00 5.25 H new ATOM 0 HD2 LYS A 39 3.772 2.631 7.441 1.00 11.10 H new ATOM 0 HD3 LYS A 39 4.462 4.179 6.994 1.00 11.10 H new ATOM 0 HE2 LYS A 39 3.225 5.195 8.987 1.00 25.22 H new ATOM 0 HE3 LYS A 39 2.803 3.564 9.470 1.00 25.22 H new ATOM 0 HZ1 LYS A 39 4.786 4.328 10.603 1.00 41.23 H new ATOM 0 HZ2 LYS A 39 5.164 3.018 9.592 1.00 41.23 H new ATOM 0 HZ3 LYS A 39 5.574 4.598 9.123 1.00 41.23 H new ATOM 617 N ILE A 40 -0.371 2.636 4.372 1.00 22.44 N ATOM 618 CA ILE A 40 -0.372 2.568 2.902 1.00 44.20 C ATOM 619 C ILE A 40 -1.335 3.600 2.278 1.00 41.51 C ATOM 620 O ILE A 40 -1.002 4.279 1.304 1.00 52.32 O ATOM 621 CB ILE A 40 -0.777 1.148 2.421 1.00 52.44 C ATOM 622 CG1 ILE A 40 0.216 0.096 2.941 1.00 42.12 C ATOM 623 CG2 ILE A 40 -0.878 1.093 0.898 1.00 51.42 C ATOM 624 CD1 ILE A 40 -0.110 -1.323 2.512 1.00 11.43 C ATOM 0 H ILE A 40 -0.588 1.750 4.829 1.00 22.44 H new ATOM 0 HA ILE A 40 0.642 2.797 2.575 1.00 44.20 H new ATOM 0 HB ILE A 40 -1.761 0.921 2.830 1.00 52.44 H new ATOM 0 HG12 ILE A 40 1.216 0.350 2.590 1.00 42.12 H new ATOM 0 HG13 ILE A 40 0.239 0.140 4.030 1.00 42.12 H new ATOM 0 HG21 ILE A 40 -1.163 0.088 0.588 1.00 51.42 H new ATOM 0 HG22 ILE A 40 -1.630 1.805 0.557 1.00 51.42 H new ATOM 0 HG23 ILE A 40 0.087 1.348 0.460 1.00 51.42 H new ATOM 0 HD11 ILE A 40 0.636 -2.006 2.918 1.00 11.43 H new ATOM 0 HD12 ILE A 40 -1.096 -1.599 2.886 1.00 11.43 H new ATOM 0 HD13 ILE A 40 -0.104 -1.385 1.424 1.00 11.43 H new ATOM 636 N VAL A 41 -2.533 3.703 2.847 1.00 33.11 N ATOM 637 CA VAL A 41 -3.574 4.595 2.323 1.00 60.24 C ATOM 638 C VAL A 41 -3.580 5.960 3.043 1.00 73.44 C ATOM 639 O VAL A 41 -4.104 6.947 2.522 1.00 54.05 O ATOM 640 CB VAL A 41 -4.972 3.936 2.457 1.00 4.34 C ATOM 641 CG1 VAL A 41 -6.061 4.810 1.830 1.00 34.13 C ATOM 642 CG2 VAL A 41 -4.967 2.540 1.829 1.00 31.05 C ATOM 0 H VAL A 41 -2.812 3.178 3.676 1.00 33.11 H new ATOM 0 HA VAL A 41 -3.348 4.766 1.271 1.00 60.24 H new ATOM 0 HB VAL A 41 -5.198 3.838 3.519 1.00 4.34 H new ATOM 0 HG11 VAL A 41 -7.029 4.321 1.940 1.00 34.13 H new ATOM 0 HG12 VAL A 41 -6.084 5.778 2.331 1.00 34.13 H new ATOM 0 HG13 VAL A 41 -5.846 4.955 0.771 1.00 34.13 H new ATOM 0 HG21 VAL A 41 -5.955 2.091 1.931 1.00 31.05 H new ATOM 0 HG22 VAL A 41 -4.711 2.617 0.772 1.00 31.05 H new ATOM 0 HG23 VAL A 41 -4.231 1.916 2.336 1.00 31.05 H new ATOM 652 N ASN A 42 -2.995 6.014 4.238 1.00 63.44 N ATOM 653 CA ASN A 42 -3.003 7.239 5.051 1.00 41.25 C ATOM 654 C ASN A 42 -1.938 8.254 4.602 1.00 24.20 C ATOM 655 O ASN A 42 -2.199 9.457 4.572 1.00 22.13 O ATOM 656 CB ASN A 42 -2.810 6.898 6.537 1.00 33.14 C ATOM 657 CG ASN A 42 -4.032 6.239 7.168 1.00 53.02 C ATOM 658 OD1 ASN A 42 -4.306 6.424 8.349 1.00 43.33 O ATOM 659 ND2 ASN A 42 -4.774 5.465 6.400 1.00 60.31 N ATOM 0 H ASN A 42 -2.509 5.227 4.669 1.00 63.44 H new ATOM 0 HA ASN A 42 -3.977 7.707 4.907 1.00 41.25 H new ATOM 0 HB2 ASN A 42 -1.953 6.233 6.642 1.00 33.14 H new ATOM 0 HB3 ASN A 42 -2.575 7.811 7.085 1.00 33.14 H new ATOM 0 HD21 ASN A 42 -5.598 5.004 6.785 1.00 60.31 H new ATOM 0 HD22 ASN A 42 -4.524 5.328 5.421 1.00 60.31 H new ATOM 666 N LEU A 43 -0.747 7.773 4.251 1.00 71.40 N ATOM 667 CA LEU A 43 0.358 8.666 3.868 1.00 10.34 C ATOM 668 C LEU A 43 0.223 9.190 2.424 1.00 62.23 C ATOM 669 O LEU A 43 -0.334 8.518 1.550 1.00 3.32 O ATOM 670 CB LEU A 43 1.711 7.952 4.026 1.00 31.52 C ATOM 671 CG LEU A 43 2.140 7.657 5.475 1.00 14.41 C ATOM 672 CD1 LEU A 43 3.541 7.047 5.505 1.00 2.11 C ATOM 673 CD2 LEU A 43 2.084 8.927 6.329 1.00 72.41 C ATOM 0 H LEU A 43 -0.518 6.779 4.222 1.00 71.40 H new ATOM 0 HA LEU A 43 0.310 9.523 4.540 1.00 10.34 H new ATOM 0 HB2 LEU A 43 1.671 7.010 3.479 1.00 31.52 H new ATOM 0 HB3 LEU A 43 2.481 8.562 3.555 1.00 31.52 H new ATOM 0 HG LEU A 43 1.441 6.935 5.898 1.00 14.41 H new ATOM 0 HD11 LEU A 43 3.828 6.845 6.537 1.00 2.11 H new ATOM 0 HD12 LEU A 43 3.545 6.116 4.938 1.00 2.11 H new ATOM 0 HD13 LEU A 43 4.251 7.745 5.061 1.00 2.11 H new ATOM 0 HD21 LEU A 43 2.391 8.694 7.348 1.00 72.41 H new ATOM 0 HD22 LEU A 43 2.755 9.677 5.910 1.00 72.41 H new ATOM 0 HD23 LEU A 43 1.066 9.316 6.337 1.00 72.41 H new ATOM 685 N PRO A 44 0.726 10.415 2.161 1.00 54.23 N ATOM 686 CA PRO A 44 0.804 10.964 0.797 1.00 30.12 C ATOM 687 C PRO A 44 1.859 10.235 -0.059 1.00 43.23 C ATOM 688 O PRO A 44 2.615 9.407 0.450 1.00 50.20 O ATOM 689 CB PRO A 44 1.191 12.432 1.023 1.00 74.04 C ATOM 690 CG PRO A 44 1.891 12.444 2.342 1.00 41.12 C ATOM 691 CD PRO A 44 1.240 11.366 3.170 1.00 32.21 C ATOM 0 HA PRO A 44 -0.131 10.847 0.249 1.00 30.12 H new ATOM 0 HB2 PRO A 44 1.841 12.797 0.227 1.00 74.04 H new ATOM 0 HB3 PRO A 44 0.311 13.075 1.036 1.00 74.04 H new ATOM 0 HG2 PRO A 44 2.957 12.251 2.219 1.00 41.12 H new ATOM 0 HG3 PRO A 44 1.796 13.417 2.825 1.00 41.12 H new ATOM 0 HD2 PRO A 44 1.954 10.890 3.842 1.00 32.21 H new ATOM 0 HD3 PRO A 44 0.437 11.766 3.789 1.00 32.21 H new ATOM 699 N VAL A 45 1.914 10.552 -1.353 1.00 74.03 N ATOM 700 CA VAL A 45 2.800 9.841 -2.290 1.00 3.20 C ATOM 701 C VAL A 45 4.277 9.824 -1.840 1.00 60.20 C ATOM 702 O VAL A 45 4.919 8.776 -1.862 1.00 51.32 O ATOM 703 CB VAL A 45 2.705 10.432 -3.722 1.00 30.53 C ATOM 704 CG1 VAL A 45 3.107 11.906 -3.742 1.00 51.41 C ATOM 705 CG2 VAL A 45 3.555 9.619 -4.698 1.00 24.22 C ATOM 0 H VAL A 45 1.359 11.294 -1.780 1.00 74.03 H new ATOM 0 HA VAL A 45 2.445 8.810 -2.296 1.00 3.20 H new ATOM 0 HB VAL A 45 1.665 10.371 -4.042 1.00 30.53 H new ATOM 0 HG11 VAL A 45 3.030 12.290 -4.759 1.00 51.41 H new ATOM 0 HG12 VAL A 45 2.444 12.473 -3.089 1.00 51.41 H new ATOM 0 HG13 VAL A 45 4.135 12.008 -3.393 1.00 51.41 H new ATOM 0 HG21 VAL A 45 3.475 10.049 -5.696 1.00 24.22 H new ATOM 0 HG22 VAL A 45 4.596 9.638 -4.377 1.00 24.22 H new ATOM 0 HG23 VAL A 45 3.201 8.588 -4.718 1.00 24.22 H new ATOM 715 N ASP A 46 4.806 10.971 -1.413 1.00 3.05 N ATOM 716 CA ASP A 46 6.233 11.086 -1.085 1.00 42.33 C ATOM 717 C ASP A 46 6.635 10.161 0.082 1.00 0.15 C ATOM 718 O ASP A 46 7.568 9.363 -0.038 1.00 72.30 O ATOM 719 CB ASP A 46 6.581 12.540 -0.760 1.00 24.43 C ATOM 720 CG ASP A 46 8.078 12.781 -0.781 1.00 23.42 C ATOM 721 OD1 ASP A 46 8.651 12.874 -1.887 1.00 24.43 O ATOM 722 OD2 ASP A 46 8.694 12.868 0.300 1.00 10.31 O ATOM 0 H ASP A 46 4.273 11.832 -1.286 1.00 3.05 H new ATOM 0 HA ASP A 46 6.800 10.767 -1.959 1.00 42.33 H new ATOM 0 HB2 ASP A 46 6.097 13.199 -1.481 1.00 24.43 H new ATOM 0 HB3 ASP A 46 6.186 12.797 0.223 1.00 24.43 H new ATOM 727 N ASP A 47 5.928 10.275 1.206 1.00 44.54 N ATOM 728 CA ASP A 47 6.157 9.396 2.360 1.00 42.13 C ATOM 729 C ASP A 47 5.899 7.922 1.989 1.00 73.44 C ATOM 730 O ASP A 47 6.613 7.021 2.432 1.00 11.10 O ATOM 731 CB ASP A 47 5.260 9.819 3.526 1.00 74.44 C ATOM 732 CG ASP A 47 5.489 11.267 3.922 1.00 33.15 C ATOM 733 OD1 ASP A 47 5.047 12.166 3.177 1.00 70.02 O ATOM 734 OD2 ASP A 47 6.124 11.514 4.970 1.00 61.44 O ATOM 0 H ASP A 47 5.191 10.966 1.345 1.00 44.54 H new ATOM 0 HA ASP A 47 7.200 9.489 2.664 1.00 42.13 H new ATOM 0 HB2 ASP A 47 4.215 9.680 3.249 1.00 74.44 H new ATOM 0 HB3 ASP A 47 5.451 9.174 4.383 1.00 74.44 H new ATOM 739 N PHE A 48 4.874 7.701 1.164 1.00 11.13 N ATOM 740 CA PHE A 48 4.554 6.367 0.634 1.00 70.31 C ATOM 741 C PHE A 48 5.760 5.763 -0.111 1.00 11.32 C ATOM 742 O PHE A 48 6.079 4.582 0.047 1.00 74.32 O ATOM 743 CB PHE A 48 3.335 6.470 -0.301 1.00 30.40 C ATOM 744 CG PHE A 48 2.955 5.177 -0.979 1.00 33.15 C ATOM 745 CD1 PHE A 48 2.255 4.199 -0.293 1.00 40.34 C ATOM 746 CD2 PHE A 48 3.295 4.945 -2.305 1.00 34.12 C ATOM 747 CE1 PHE A 48 1.906 3.015 -0.912 1.00 34.30 C ATOM 748 CE2 PHE A 48 2.948 3.763 -2.928 1.00 50.51 C ATOM 749 CZ PHE A 48 2.250 2.797 -2.230 1.00 54.33 C ATOM 0 H PHE A 48 4.243 8.435 0.843 1.00 11.13 H new ATOM 0 HA PHE A 48 4.316 5.704 1.466 1.00 70.31 H new ATOM 0 HB2 PHE A 48 2.481 6.828 0.274 1.00 30.40 H new ATOM 0 HB3 PHE A 48 3.542 7.219 -1.065 1.00 30.40 H new ATOM 0 HD1 PHE A 48 1.979 4.364 0.738 1.00 40.34 H new ATOM 0 HD2 PHE A 48 3.838 5.699 -2.856 1.00 34.12 H new ATOM 0 HE1 PHE A 48 1.363 2.259 -0.364 1.00 34.30 H new ATOM 0 HE2 PHE A 48 3.222 3.594 -3.959 1.00 50.51 H new ATOM 0 HZ PHE A 48 1.974 1.872 -2.715 1.00 54.33 H new ATOM 759 N ASN A 49 6.431 6.588 -0.916 1.00 71.22 N ATOM 760 CA ASN A 49 7.638 6.163 -1.636 1.00 45.13 C ATOM 761 C ASN A 49 8.721 5.675 -0.662 1.00 53.33 C ATOM 762 O ASN A 49 9.332 4.622 -0.867 1.00 0.35 O ATOM 763 CB ASN A 49 8.195 7.317 -2.479 1.00 53.03 C ATOM 764 CG ASN A 49 7.196 7.841 -3.492 1.00 53.34 C ATOM 765 OD1 ASN A 49 6.337 7.112 -3.977 1.00 24.21 O ATOM 766 ND2 ASN A 49 7.312 9.111 -3.826 1.00 4.23 N ATOM 0 H ASN A 49 6.161 7.556 -1.088 1.00 71.22 H new ATOM 0 HA ASN A 49 7.358 5.338 -2.291 1.00 45.13 H new ATOM 0 HB2 ASN A 49 8.497 8.130 -1.819 1.00 53.03 H new ATOM 0 HB3 ASN A 49 9.091 6.980 -3.000 1.00 53.03 H new ATOM 0 HD21 ASN A 49 6.674 9.519 -4.510 1.00 4.23 H new ATOM 0 HD22 ASN A 49 8.039 9.686 -3.401 1.00 4.23 H new ATOM 773 N GLU A 50 8.952 6.452 0.397 1.00 11.00 N ATOM 774 CA GLU A 50 9.927 6.087 1.430 1.00 41.13 C ATOM 775 C GLU A 50 9.542 4.769 2.111 1.00 60.45 C ATOM 776 O GLU A 50 10.388 3.908 2.341 1.00 21.34 O ATOM 777 CB GLU A 50 10.043 7.196 2.484 1.00 14.32 C ATOM 778 CG GLU A 50 10.527 8.531 1.932 1.00 3.13 C ATOM 779 CD GLU A 50 10.852 9.526 3.033 1.00 71.40 C ATOM 780 OE1 GLU A 50 12.006 9.529 3.515 1.00 72.01 O ATOM 781 OE2 GLU A 50 9.959 10.294 3.442 1.00 24.20 O ATOM 0 H GLU A 50 8.477 7.339 0.564 1.00 11.00 H new ATOM 0 HA GLU A 50 10.892 5.959 0.940 1.00 41.13 H new ATOM 0 HB2 GLU A 50 9.069 7.340 2.953 1.00 14.32 H new ATOM 0 HB3 GLU A 50 10.728 6.869 3.266 1.00 14.32 H new ATOM 0 HG2 GLU A 50 11.413 8.368 1.319 1.00 3.13 H new ATOM 0 HG3 GLU A 50 9.761 8.951 1.280 1.00 3.13 H new ATOM 788 N LEU A 51 8.255 4.623 2.426 1.00 22.02 N ATOM 789 CA LEU A 51 7.721 3.397 3.031 1.00 2.51 C ATOM 790 C LEU A 51 8.156 2.145 2.244 1.00 23.20 C ATOM 791 O LEU A 51 8.600 1.153 2.826 1.00 23.00 O ATOM 792 CB LEU A 51 6.186 3.484 3.081 1.00 74.53 C ATOM 793 CG LEU A 51 5.454 2.262 3.657 1.00 24.11 C ATOM 794 CD1 LEU A 51 5.834 2.041 5.116 1.00 40.23 C ATOM 795 CD2 LEU A 51 3.941 2.423 3.509 1.00 73.23 C ATOM 0 H LEU A 51 7.553 5.347 2.271 1.00 22.02 H new ATOM 0 HA LEU A 51 8.120 3.307 4.041 1.00 2.51 H new ATOM 0 HB2 LEU A 51 5.912 4.357 3.673 1.00 74.53 H new ATOM 0 HB3 LEU A 51 5.820 3.657 2.069 1.00 74.53 H new ATOM 0 HG LEU A 51 5.761 1.382 3.091 1.00 24.11 H new ATOM 0 HD11 LEU A 51 5.304 1.171 5.502 1.00 40.23 H new ATOM 0 HD12 LEU A 51 6.909 1.874 5.191 1.00 40.23 H new ATOM 0 HD13 LEU A 51 5.562 2.920 5.700 1.00 40.23 H new ATOM 0 HD21 LEU A 51 3.440 1.548 3.923 1.00 73.23 H new ATOM 0 HD22 LEU A 51 3.616 3.315 4.045 1.00 73.23 H new ATOM 0 HD23 LEU A 51 3.687 2.522 2.454 1.00 73.23 H new ATOM 807 N LEU A 52 8.040 2.217 0.919 1.00 32.25 N ATOM 808 CA LEU A 52 8.425 1.108 0.034 1.00 50.00 C ATOM 809 C LEU A 52 9.936 0.813 0.096 1.00 75.32 C ATOM 810 O LEU A 52 10.363 -0.324 -0.083 1.00 35.25 O ATOM 811 CB LEU A 52 8.023 1.434 -1.415 1.00 4.15 C ATOM 812 CG LEU A 52 6.522 1.685 -1.645 1.00 44.43 C ATOM 813 CD1 LEU A 52 6.247 2.033 -3.106 1.00 62.13 C ATOM 814 CD2 LEU A 52 5.703 0.470 -1.216 1.00 51.20 C ATOM 0 H LEU A 52 7.681 3.036 0.428 1.00 32.25 H new ATOM 0 HA LEU A 52 7.899 0.217 0.378 1.00 50.00 H new ATOM 0 HB2 LEU A 52 8.575 2.317 -1.737 1.00 4.15 H new ATOM 0 HB3 LEU A 52 8.338 0.610 -2.055 1.00 4.15 H new ATOM 0 HG LEU A 52 6.221 2.535 -1.033 1.00 44.43 H new ATOM 0 HD11 LEU A 52 5.180 2.206 -3.244 1.00 62.13 H new ATOM 0 HD12 LEU A 52 6.799 2.934 -3.376 1.00 62.13 H new ATOM 0 HD13 LEU A 52 6.566 1.208 -3.743 1.00 62.13 H new ATOM 0 HD21 LEU A 52 4.644 0.666 -1.386 1.00 51.20 H new ATOM 0 HD22 LEU A 52 6.009 -0.399 -1.798 1.00 51.20 H new ATOM 0 HD23 LEU A 52 5.870 0.274 -0.157 1.00 51.20 H new ATOM 826 N ALA A 53 10.738 1.848 0.342 1.00 31.20 N ATOM 827 CA ALA A 53 12.201 1.706 0.376 1.00 1.21 C ATOM 828 C ALA A 53 12.718 1.287 1.762 1.00 34.43 C ATOM 829 O ALA A 53 13.705 0.555 1.879 1.00 14.54 O ATOM 830 CB ALA A 53 12.857 3.013 -0.054 1.00 14.40 C ATOM 0 H ALA A 53 10.404 2.795 0.521 1.00 31.20 H new ATOM 0 HA ALA A 53 12.468 0.911 -0.320 1.00 1.21 H new ATOM 0 HB1 ALA A 53 13.941 2.902 -0.027 1.00 14.40 H new ATOM 0 HB2 ALA A 53 12.543 3.262 -1.068 1.00 14.40 H new ATOM 0 HB3 ALA A 53 12.557 3.811 0.625 1.00 14.40 H new ATOM 836 N ARG A 54 12.049 1.757 2.812 1.00 32.51 N ATOM 837 CA ARG A 54 12.460 1.480 4.194 1.00 62.05 C ATOM 838 C ARG A 54 12.252 0.005 4.565 1.00 63.41 C ATOM 839 O ARG A 54 13.053 -0.582 5.296 1.00 51.22 O ATOM 840 CB ARG A 54 11.679 2.385 5.159 1.00 25.41 C ATOM 841 CG ARG A 54 11.985 3.871 4.983 1.00 3.02 C ATOM 842 CD ARG A 54 11.166 4.742 5.929 1.00 61.43 C ATOM 843 NE ARG A 54 11.365 6.165 5.664 1.00 63.31 N ATOM 844 CZ ARG A 54 10.722 7.123 6.272 1.00 2.11 C ATOM 845 NH1 ARG A 54 9.885 6.856 7.225 1.00 24.45 N ATOM 846 NH2 ARG A 54 10.934 8.353 5.939 1.00 34.11 N ATOM 0 H ARG A 54 11.213 2.336 2.735 1.00 32.51 H new ATOM 0 HA ARG A 54 13.526 1.691 4.276 1.00 62.05 H new ATOM 0 HB2 ARG A 54 10.611 2.222 5.013 1.00 25.41 H new ATOM 0 HB3 ARG A 54 11.909 2.094 6.184 1.00 25.41 H new ATOM 0 HG2 ARG A 54 13.047 4.045 5.158 1.00 3.02 H new ATOM 0 HG3 ARG A 54 11.780 4.163 3.953 1.00 3.02 H new ATOM 0 HD2 ARG A 54 10.109 4.497 5.825 1.00 61.43 H new ATOM 0 HD3 ARG A 54 11.445 4.522 6.959 1.00 61.43 H new ATOM 0 HE ARG A 54 12.052 6.426 4.957 1.00 63.31 H new ATOM 0 HH11 ARG A 54 9.724 5.889 7.506 1.00 24.45 H new ATOM 0 HH12 ARG A 54 9.387 7.613 7.694 1.00 24.45 H new ATOM 0 HH21 ARG A 54 11.603 8.574 5.202 1.00 34.11 H new ATOM 0 HH22 ARG A 54 10.432 9.104 6.413 1.00 34.11 H new ATOM 860 N TYR A 55 11.184 -0.593 4.057 1.00 25.41 N ATOM 861 CA TYR A 55 10.883 -2.001 4.334 1.00 64.30 C ATOM 862 C TYR A 55 11.362 -2.916 3.198 1.00 43.32 C ATOM 863 O TYR A 55 11.290 -2.553 2.023 1.00 63.04 O ATOM 864 CB TYR A 55 9.380 -2.181 4.567 1.00 63.41 C ATOM 865 CG TYR A 55 8.894 -1.506 5.833 1.00 25.21 C ATOM 866 CD1 TYR A 55 8.609 -0.147 5.856 1.00 1.34 C ATOM 867 CD2 TYR A 55 8.734 -2.230 7.009 1.00 31.15 C ATOM 868 CE1 TYR A 55 8.177 0.470 7.012 1.00 54.12 C ATOM 869 CE2 TYR A 55 8.302 -1.619 8.167 1.00 33.24 C ATOM 870 CZ TYR A 55 8.024 -0.269 8.163 1.00 15.33 C ATOM 871 OH TYR A 55 7.590 0.346 9.314 1.00 44.33 O ATOM 0 H TYR A 55 10.508 -0.130 3.450 1.00 25.41 H new ATOM 0 HA TYR A 55 11.422 -2.288 5.237 1.00 64.30 H new ATOM 0 HB2 TYR A 55 8.834 -1.778 3.714 1.00 63.41 H new ATOM 0 HB3 TYR A 55 9.150 -3.245 4.618 1.00 63.41 H new ATOM 0 HD1 TYR A 55 8.727 0.436 4.955 1.00 1.34 H new ATOM 0 HD2 TYR A 55 8.952 -3.288 7.016 1.00 31.15 H new ATOM 0 HE1 TYR A 55 7.960 1.528 7.014 1.00 54.12 H new ATOM 0 HE2 TYR A 55 8.182 -2.195 9.073 1.00 33.24 H new ATOM 0 HH TYR A 55 7.533 -0.314 10.036 1.00 44.33 H new ATOM 881 N PRO A 56 11.871 -4.118 3.537 1.00 20.12 N ATOM 882 CA PRO A 56 12.333 -5.087 2.531 1.00 14.50 C ATOM 883 C PRO A 56 11.173 -5.642 1.691 1.00 5.14 C ATOM 884 O PRO A 56 10.549 -6.640 2.056 1.00 33.53 O ATOM 885 CB PRO A 56 12.984 -6.197 3.376 1.00 11.23 C ATOM 886 CG PRO A 56 12.321 -6.093 4.708 1.00 54.53 C ATOM 887 CD PRO A 56 12.041 -4.629 4.914 1.00 21.33 C ATOM 0 HA PRO A 56 13.015 -4.640 1.808 1.00 14.50 H new ATOM 0 HB2 PRO A 56 12.826 -7.179 2.930 1.00 11.23 H new ATOM 0 HB3 PRO A 56 14.061 -6.053 3.457 1.00 11.23 H new ATOM 0 HG2 PRO A 56 11.399 -6.674 4.732 1.00 54.53 H new ATOM 0 HG3 PRO A 56 12.965 -6.483 5.497 1.00 54.53 H new ATOM 0 HD2 PRO A 56 11.145 -4.471 5.515 1.00 21.33 H new ATOM 0 HD3 PRO A 56 12.862 -4.131 5.429 1.00 21.33 H new ATOM 895 N LEU A 57 10.864 -4.968 0.585 1.00 71.12 N ATOM 896 CA LEU A 57 9.769 -5.390 -0.295 1.00 73.33 C ATOM 897 C LEU A 57 10.277 -5.865 -1.669 1.00 10.13 C ATOM 898 O LEU A 57 11.247 -5.327 -2.210 1.00 1.44 O ATOM 899 CB LEU A 57 8.772 -4.238 -0.491 1.00 25.03 C ATOM 900 CG LEU A 57 8.113 -3.698 0.789 1.00 54.21 C ATOM 901 CD1 LEU A 57 7.210 -2.510 0.467 1.00 13.13 C ATOM 902 CD2 LEU A 57 7.327 -4.802 1.497 1.00 41.23 C ATOM 0 H LEU A 57 11.354 -4.129 0.275 1.00 71.12 H new ATOM 0 HA LEU A 57 9.275 -6.232 0.190 1.00 73.33 H new ATOM 0 HB2 LEU A 57 9.289 -3.416 -0.986 1.00 25.03 H new ATOM 0 HB3 LEU A 57 7.986 -4.574 -1.168 1.00 25.03 H new ATOM 0 HG LEU A 57 8.899 -3.356 1.463 1.00 54.21 H new ATOM 0 HD11 LEU A 57 6.752 -2.141 1.385 1.00 13.13 H new ATOM 0 HD12 LEU A 57 7.802 -1.716 0.012 1.00 13.13 H new ATOM 0 HD13 LEU A 57 6.430 -2.823 -0.227 1.00 13.13 H new ATOM 0 HD21 LEU A 57 6.868 -4.400 2.400 1.00 41.23 H new ATOM 0 HD22 LEU A 57 6.550 -5.179 0.832 1.00 41.23 H new ATOM 0 HD23 LEU A 57 8.002 -5.615 1.764 1.00 41.23 H new ATOM 914 N THR A 58 9.612 -6.873 -2.227 1.00 5.11 N ATOM 915 CA THR A 58 9.900 -7.354 -3.587 1.00 35.21 C ATOM 916 C THR A 58 9.055 -6.595 -4.614 1.00 4.24 C ATOM 917 O THR A 58 8.053 -5.979 -4.258 1.00 43.43 O ATOM 918 CB THR A 58 9.598 -8.863 -3.733 1.00 21.52 C ATOM 919 OG1 THR A 58 8.191 -9.097 -3.555 1.00 24.01 O ATOM 920 CG2 THR A 58 10.387 -9.688 -2.719 1.00 62.43 C ATOM 0 H THR A 58 8.862 -7.381 -1.758 1.00 5.11 H new ATOM 0 HA THR A 58 10.961 -7.181 -3.766 1.00 35.21 H new ATOM 0 HB THR A 58 9.900 -9.173 -4.733 1.00 21.52 H new ATOM 0 HG1 THR A 58 8.004 -10.054 -3.650 1.00 24.01 H new ATOM 0 HG21 THR A 58 10.152 -10.745 -2.848 1.00 62.43 H new ATOM 0 HG22 THR A 58 11.454 -9.532 -2.875 1.00 62.43 H new ATOM 0 HG23 THR A 58 10.118 -9.377 -1.709 1.00 62.43 H new ATOM 928 N GLU A 59 9.442 -6.654 -5.888 1.00 40.43 N ATOM 929 CA GLU A 59 8.712 -5.947 -6.953 1.00 23.55 C ATOM 930 C GLU A 59 7.199 -6.233 -6.893 1.00 31.12 C ATOM 931 O GLU A 59 6.375 -5.324 -7.050 1.00 63.44 O ATOM 932 CB GLU A 59 9.259 -6.346 -8.328 1.00 51.32 C ATOM 933 CG GLU A 59 10.750 -6.079 -8.502 1.00 60.43 C ATOM 934 CD GLU A 59 11.245 -6.428 -9.897 1.00 5.12 C ATOM 935 OE1 GLU A 59 11.274 -7.628 -10.242 1.00 40.43 O ATOM 936 OE2 GLU A 59 11.600 -5.503 -10.659 1.00 70.44 O ATOM 0 H GLU A 59 10.253 -7.181 -6.212 1.00 40.43 H new ATOM 0 HA GLU A 59 8.861 -4.878 -6.798 1.00 23.55 H new ATOM 0 HB2 GLU A 59 9.069 -7.407 -8.490 1.00 51.32 H new ATOM 0 HB3 GLU A 59 8.711 -5.803 -9.098 1.00 51.32 H new ATOM 0 HG2 GLU A 59 10.953 -5.027 -8.300 1.00 60.43 H new ATOM 0 HG3 GLU A 59 11.308 -6.658 -7.766 1.00 60.43 H new ATOM 943 N SER A 60 6.842 -7.497 -6.656 1.00 65.00 N ATOM 944 CA SER A 60 5.432 -7.897 -6.510 1.00 53.33 C ATOM 945 C SER A 60 4.793 -7.286 -5.254 1.00 75.05 C ATOM 946 O SER A 60 3.610 -6.941 -5.255 1.00 22.32 O ATOM 947 CB SER A 60 5.302 -9.428 -6.466 1.00 71.54 C ATOM 948 OG SER A 60 5.734 -10.012 -7.688 1.00 21.11 O ATOM 0 H SER A 60 7.507 -8.265 -6.560 1.00 65.00 H new ATOM 0 HA SER A 60 4.899 -7.516 -7.381 1.00 53.33 H new ATOM 0 HB2 SER A 60 5.894 -9.823 -5.641 1.00 71.54 H new ATOM 0 HB3 SER A 60 4.265 -9.703 -6.274 1.00 71.54 H new ATOM 0 HG SER A 60 5.643 -10.986 -7.635 1.00 21.11 H new ATOM 954 N GLN A 61 5.577 -7.154 -4.186 1.00 4.43 N ATOM 955 CA GLN A 61 5.086 -6.545 -2.945 1.00 32.22 C ATOM 956 C GLN A 61 4.847 -5.036 -3.110 1.00 23.24 C ATOM 957 O GLN A 61 3.802 -4.533 -2.703 1.00 43.01 O ATOM 958 CB GLN A 61 6.046 -6.824 -1.778 1.00 73.33 C ATOM 959 CG GLN A 61 5.983 -8.266 -1.270 1.00 23.31 C ATOM 960 CD GLN A 61 6.974 -8.544 -0.151 1.00 32.13 C ATOM 961 OE1 GLN A 61 8.051 -7.966 -0.109 1.00 33.33 O ATOM 962 NE2 GLN A 61 6.621 -9.423 0.766 1.00 52.13 N ATOM 0 H GLN A 61 6.550 -7.458 -4.151 1.00 4.43 H new ATOM 0 HA GLN A 61 4.126 -7.005 -2.713 1.00 32.22 H new ATOM 0 HB2 GLN A 61 7.065 -6.603 -2.095 1.00 73.33 H new ATOM 0 HB3 GLN A 61 5.813 -6.147 -0.956 1.00 73.33 H new ATOM 0 HG2 GLN A 61 4.974 -8.477 -0.915 1.00 23.31 H new ATOM 0 HG3 GLN A 61 6.178 -8.947 -2.099 1.00 23.31 H new ATOM 0 HE21 GLN A 61 5.716 -9.889 0.704 1.00 52.13 H new ATOM 0 HE22 GLN A 61 7.253 -9.637 1.537 1.00 52.13 H new ATOM 971 N LEU A 62 5.797 -4.313 -3.718 1.00 14.14 N ATOM 972 CA LEU A 62 5.580 -2.889 -4.034 1.00 23.35 C ATOM 973 C LEU A 62 4.304 -2.716 -4.870 1.00 13.12 C ATOM 974 O LEU A 62 3.517 -1.794 -4.645 1.00 12.45 O ATOM 975 CB LEU A 62 6.773 -2.263 -4.791 1.00 70.54 C ATOM 976 CG LEU A 62 8.029 -1.955 -3.953 1.00 73.12 C ATOM 977 CD1 LEU A 62 8.871 -3.203 -3.744 1.00 60.14 C ATOM 978 CD2 LEU A 62 8.859 -0.853 -4.610 1.00 61.53 C ATOM 0 H LEU A 62 6.707 -4.679 -3.998 1.00 14.14 H new ATOM 0 HA LEU A 62 5.478 -2.369 -3.082 1.00 23.35 H new ATOM 0 HB2 LEU A 62 7.058 -2.938 -5.598 1.00 70.54 H new ATOM 0 HB3 LEU A 62 6.435 -1.336 -5.254 1.00 70.54 H new ATOM 0 HG LEU A 62 7.699 -1.604 -2.975 1.00 73.12 H new ATOM 0 HD11 LEU A 62 9.750 -2.954 -3.149 1.00 60.14 H new ATOM 0 HD12 LEU A 62 8.281 -3.956 -3.222 1.00 60.14 H new ATOM 0 HD13 LEU A 62 9.186 -3.595 -4.711 1.00 60.14 H new ATOM 0 HD21 LEU A 62 9.741 -0.651 -4.003 1.00 61.53 H new ATOM 0 HD22 LEU A 62 9.169 -1.175 -5.604 1.00 61.53 H new ATOM 0 HD23 LEU A 62 8.260 0.054 -4.693 1.00 61.53 H new ATOM 990 N ALA A 63 4.111 -3.615 -5.838 1.00 63.40 N ATOM 991 CA ALA A 63 2.900 -3.627 -6.660 1.00 35.40 C ATOM 992 C ALA A 63 1.641 -3.805 -5.797 1.00 71.22 C ATOM 993 O ALA A 63 0.681 -3.050 -5.930 1.00 64.43 O ATOM 994 CB ALA A 63 2.984 -4.730 -7.710 1.00 11.51 C ATOM 0 H ALA A 63 4.782 -4.347 -6.072 1.00 63.40 H new ATOM 0 HA ALA A 63 2.827 -2.663 -7.164 1.00 35.40 H new ATOM 0 HB1 ALA A 63 2.077 -4.727 -8.314 1.00 11.51 H new ATOM 0 HB2 ALA A 63 3.848 -4.556 -8.352 1.00 11.51 H new ATOM 0 HB3 ALA A 63 3.088 -5.696 -7.216 1.00 11.51 H new ATOM 1000 N LEU A 64 1.665 -4.799 -4.906 1.00 3.51 N ATOM 1001 CA LEU A 64 0.540 -5.068 -4.000 1.00 52.43 C ATOM 1002 C LEU A 64 0.232 -3.859 -3.096 1.00 23.42 C ATOM 1003 O LEU A 64 -0.931 -3.525 -2.862 1.00 41.32 O ATOM 1004 CB LEU A 64 0.836 -6.301 -3.135 1.00 15.23 C ATOM 1005 CG LEU A 64 -0.288 -6.708 -2.163 1.00 25.23 C ATOM 1006 CD1 LEU A 64 -1.559 -7.083 -2.924 1.00 13.21 C ATOM 1007 CD2 LEU A 64 0.164 -7.855 -1.261 1.00 75.24 C ATOM 0 H LEU A 64 2.454 -5.435 -4.791 1.00 3.51 H new ATOM 0 HA LEU A 64 -0.338 -5.258 -4.618 1.00 52.43 H new ATOM 0 HB2 LEU A 64 1.048 -7.144 -3.793 1.00 15.23 H new ATOM 0 HB3 LEU A 64 1.741 -6.111 -2.559 1.00 15.23 H new ATOM 0 HG LEU A 64 -0.515 -5.849 -1.531 1.00 25.23 H new ATOM 0 HD11 LEU A 64 -2.337 -7.366 -2.215 1.00 13.21 H new ATOM 0 HD12 LEU A 64 -1.897 -6.229 -3.511 1.00 13.21 H new ATOM 0 HD13 LEU A 64 -1.351 -7.921 -3.589 1.00 13.21 H new ATOM 0 HD21 LEU A 64 -0.646 -8.126 -0.583 1.00 75.24 H new ATOM 0 HD22 LEU A 64 0.428 -8.717 -1.873 1.00 75.24 H new ATOM 0 HD23 LEU A 64 1.033 -7.542 -0.682 1.00 75.24 H new ATOM 1019 N VAL A 65 1.276 -3.207 -2.591 1.00 34.12 N ATOM 1020 CA VAL A 65 1.110 -2.027 -1.737 1.00 1.12 C ATOM 1021 C VAL A 65 0.440 -0.872 -2.504 1.00 70.14 C ATOM 1022 O VAL A 65 -0.473 -0.225 -1.993 1.00 25.21 O ATOM 1023 CB VAL A 65 2.469 -1.559 -1.159 1.00 22.14 C ATOM 1024 CG1 VAL A 65 2.296 -0.319 -0.286 1.00 35.24 C ATOM 1025 CG2 VAL A 65 3.130 -2.684 -0.362 1.00 32.44 C ATOM 0 H VAL A 65 2.247 -3.473 -2.756 1.00 34.12 H new ATOM 0 HA VAL A 65 0.461 -2.316 -0.910 1.00 1.12 H new ATOM 0 HB VAL A 65 3.117 -1.297 -1.995 1.00 22.14 H new ATOM 0 HG11 VAL A 65 3.265 -0.012 0.107 1.00 35.24 H new ATOM 0 HG12 VAL A 65 1.874 0.490 -0.882 1.00 35.24 H new ATOM 0 HG13 VAL A 65 1.625 -0.548 0.542 1.00 35.24 H new ATOM 0 HG21 VAL A 65 4.083 -2.336 0.036 1.00 32.44 H new ATOM 0 HG22 VAL A 65 2.479 -2.978 0.461 1.00 32.44 H new ATOM 0 HG23 VAL A 65 3.300 -3.541 -1.014 1.00 32.44 H new ATOM 1035 N ARG A 66 0.888 -0.626 -3.738 1.00 4.13 N ATOM 1036 CA ARG A 66 0.259 0.392 -4.594 1.00 40.31 C ATOM 1037 C ARG A 66 -1.153 -0.051 -5.015 1.00 62.23 C ATOM 1038 O ARG A 66 -2.050 0.775 -5.188 1.00 24.41 O ATOM 1039 CB ARG A 66 1.111 0.668 -5.847 1.00 74.04 C ATOM 1040 CG ARG A 66 2.547 1.098 -5.550 1.00 1.34 C ATOM 1041 CD ARG A 66 3.281 1.522 -6.820 1.00 24.33 C ATOM 1042 NE ARG A 66 4.720 1.687 -6.604 1.00 31.21 N ATOM 1043 CZ ARG A 66 5.324 2.837 -6.475 1.00 61.10 C ATOM 1044 NH1 ARG A 66 4.658 3.947 -6.507 1.00 13.51 N ATOM 1045 NH2 ARG A 66 6.607 2.873 -6.321 1.00 11.14 N ATOM 0 H ARG A 66 1.676 -1.111 -4.167 1.00 4.13 H new ATOM 0 HA ARG A 66 0.187 1.312 -4.013 1.00 40.31 H new ATOM 0 HB2 ARG A 66 1.134 -0.232 -6.462 1.00 74.04 H new ATOM 0 HB3 ARG A 66 0.626 1.446 -6.437 1.00 74.04 H new ATOM 0 HG2 ARG A 66 2.540 1.925 -4.840 1.00 1.34 H new ATOM 0 HG3 ARG A 66 3.083 0.275 -5.077 1.00 1.34 H new ATOM 0 HD2 ARG A 66 3.116 0.776 -7.598 1.00 24.33 H new ATOM 0 HD3 ARG A 66 2.861 2.460 -7.183 1.00 24.33 H new ATOM 0 HE ARG A 66 5.291 0.843 -6.551 1.00 31.21 H new ATOM 0 HH11 ARG A 66 3.646 3.931 -6.635 1.00 13.51 H new ATOM 0 HH12 ARG A 66 5.145 4.837 -6.405 1.00 13.51 H new ATOM 0 HH21 ARG A 66 7.143 2.005 -6.301 1.00 11.14 H new ATOM 0 HH22 ARG A 66 7.084 3.769 -6.220 1.00 11.14 H new ATOM 1059 N ASP A 67 -1.327 -1.361 -5.172 1.00 54.32 N ATOM 1060 CA ASP A 67 -2.621 -1.960 -5.515 1.00 63.22 C ATOM 1061 C ASP A 67 -3.686 -1.622 -4.451 1.00 71.42 C ATOM 1062 O ASP A 67 -4.771 -1.121 -4.767 1.00 14.34 O ATOM 1063 CB ASP A 67 -2.432 -3.479 -5.651 1.00 74.11 C ATOM 1064 CG ASP A 67 -3.700 -4.224 -6.011 1.00 52.10 C ATOM 1065 OD1 ASP A 67 -4.302 -3.920 -7.059 1.00 71.02 O ATOM 1066 OD2 ASP A 67 -4.112 -5.125 -5.248 1.00 62.21 O ATOM 0 H ASP A 67 -0.575 -2.042 -5.065 1.00 54.32 H new ATOM 0 HA ASP A 67 -2.978 -1.551 -6.460 1.00 63.22 H new ATOM 0 HB2 ASP A 67 -1.678 -3.675 -6.413 1.00 74.11 H new ATOM 0 HB3 ASP A 67 -2.045 -3.873 -4.711 1.00 74.11 H new ATOM 1071 N ILE A 68 -3.359 -1.888 -3.186 1.00 22.32 N ATOM 1072 CA ILE A 68 -4.234 -1.531 -2.063 1.00 43.43 C ATOM 1073 C ILE A 68 -4.379 -0.001 -1.934 1.00 12.24 C ATOM 1074 O ILE A 68 -5.482 0.521 -1.737 1.00 53.52 O ATOM 1075 CB ILE A 68 -3.688 -2.108 -0.730 1.00 73.52 C ATOM 1076 CG1 ILE A 68 -3.563 -3.641 -0.823 1.00 73.13 C ATOM 1077 CG2 ILE A 68 -4.585 -1.705 0.445 1.00 63.12 C ATOM 1078 CD1 ILE A 68 -2.983 -4.287 0.420 1.00 23.44 C ATOM 0 H ILE A 68 -2.493 -2.351 -2.910 1.00 22.32 H new ATOM 0 HA ILE A 68 -5.214 -1.963 -2.267 1.00 43.43 H new ATOM 0 HB ILE A 68 -2.696 -1.691 -0.553 1.00 73.52 H new ATOM 0 HG12 ILE A 68 -4.549 -4.065 -1.015 1.00 73.13 H new ATOM 0 HG13 ILE A 68 -2.936 -3.893 -1.678 1.00 73.13 H new ATOM 0 HG21 ILE A 68 -4.183 -2.121 1.369 1.00 63.12 H new ATOM 0 HG22 ILE A 68 -4.619 -0.618 0.521 1.00 63.12 H new ATOM 0 HG23 ILE A 68 -5.592 -2.089 0.282 1.00 63.12 H new ATOM 0 HD11 ILE A 68 -2.927 -5.366 0.277 1.00 23.44 H new ATOM 0 HD12 ILE A 68 -1.983 -3.893 0.602 1.00 23.44 H new ATOM 0 HD13 ILE A 68 -3.621 -4.067 1.276 1.00 23.44 H new ATOM 1090 N ARG A 69 -3.254 0.709 -2.055 1.00 43.13 N ATOM 1091 CA ARG A 69 -3.238 2.181 -2.001 1.00 23.31 C ATOM 1092 C ARG A 69 -4.235 2.775 -3.009 1.00 31.31 C ATOM 1093 O ARG A 69 -4.970 3.717 -2.696 1.00 65.04 O ATOM 1094 CB ARG A 69 -1.808 2.695 -2.280 1.00 53.23 C ATOM 1095 CG ARG A 69 -1.558 4.173 -1.946 1.00 32.31 C ATOM 1096 CD ARG A 69 -2.155 5.129 -2.979 1.00 41.55 C ATOM 1097 NE ARG A 69 -1.700 4.836 -4.339 1.00 1.52 N ATOM 1098 CZ ARG A 69 -0.686 5.420 -4.921 1.00 74.44 C ATOM 1099 NH1 ARG A 69 0.003 6.326 -4.301 1.00 25.24 N ATOM 1100 NH2 ARG A 69 -0.371 5.102 -6.134 1.00 42.02 N ATOM 0 H ARG A 69 -2.335 0.289 -2.192 1.00 43.13 H new ATOM 0 HA ARG A 69 -3.542 2.501 -1.004 1.00 23.31 H new ATOM 0 HB2 ARG A 69 -1.105 2.088 -1.709 1.00 53.23 H new ATOM 0 HB3 ARG A 69 -1.583 2.536 -3.335 1.00 53.23 H new ATOM 0 HG2 ARG A 69 -1.982 4.395 -0.966 1.00 32.31 H new ATOM 0 HG3 ARG A 69 -0.484 4.347 -1.876 1.00 32.31 H new ATOM 0 HD2 ARG A 69 -3.243 5.067 -2.941 1.00 41.55 H new ATOM 0 HD3 ARG A 69 -1.885 6.153 -2.721 1.00 41.55 H new ATOM 0 HE ARG A 69 -2.209 4.128 -4.868 1.00 1.52 H new ATOM 0 HH11 ARG A 69 -0.244 6.591 -3.347 1.00 25.24 H new ATOM 0 HH12 ARG A 69 0.792 6.774 -4.767 1.00 25.24 H new ATOM 0 HH21 ARG A 69 -0.913 4.397 -6.634 1.00 42.02 H new ATOM 0 HH22 ARG A 69 0.420 5.556 -6.591 1.00 42.02 H new ATOM 1114 N ARG A 70 -4.253 2.212 -4.217 1.00 71.14 N ATOM 1115 CA ARG A 70 -5.170 2.653 -5.270 1.00 52.11 C ATOM 1116 C ARG A 70 -6.630 2.579 -4.806 1.00 12.11 C ATOM 1117 O ARG A 70 -7.322 3.586 -4.768 1.00 24.05 O ATOM 1118 CB ARG A 70 -4.970 1.808 -6.538 1.00 31.44 C ATOM 1119 CG ARG A 70 -6.024 2.051 -7.617 1.00 72.32 C ATOM 1120 CD ARG A 70 -5.758 1.227 -8.876 1.00 23.23 C ATOM 1121 NE ARG A 70 -6.893 1.249 -9.798 1.00 24.44 N ATOM 1122 CZ ARG A 70 -6.797 1.401 -11.094 1.00 73.05 C ATOM 1123 NH1 ARG A 70 -5.649 1.615 -11.656 1.00 34.42 N ATOM 1124 NH2 ARG A 70 -7.861 1.347 -11.825 1.00 31.43 N ATOM 0 H ARG A 70 -3.639 1.445 -4.492 1.00 71.14 H new ATOM 0 HA ARG A 70 -4.943 3.695 -5.498 1.00 52.11 H new ATOM 0 HB2 ARG A 70 -3.984 2.020 -6.952 1.00 31.44 H new ATOM 0 HB3 ARG A 70 -4.980 0.753 -6.265 1.00 31.44 H new ATOM 0 HG2 ARG A 70 -7.009 1.802 -7.223 1.00 72.32 H new ATOM 0 HG3 ARG A 70 -6.041 3.110 -7.874 1.00 72.32 H new ATOM 0 HD2 ARG A 70 -4.873 1.614 -9.382 1.00 23.23 H new ATOM 0 HD3 ARG A 70 -5.540 0.197 -8.595 1.00 23.23 H new ATOM 0 HE ARG A 70 -7.827 1.138 -9.402 1.00 24.44 H new ATOM 0 HH11 ARG A 70 -4.804 1.667 -11.087 1.00 34.42 H new ATOM 0 HH12 ARG A 70 -5.590 1.731 -12.668 1.00 34.42 H new ATOM 0 HH21 ARG A 70 -8.770 1.187 -11.391 1.00 31.43 H new ATOM 0 HH22 ARG A 70 -7.792 1.465 -12.836 1.00 31.43 H new ATOM 1138 N ARG A 71 -7.088 1.383 -4.435 1.00 13.03 N ATOM 1139 CA ARG A 71 -8.475 1.195 -3.983 1.00 41.21 C ATOM 1140 C ARG A 71 -8.808 2.061 -2.759 1.00 63.03 C ATOM 1141 O ARG A 71 -9.927 2.554 -2.619 1.00 4.02 O ATOM 1142 CB ARG A 71 -8.739 -0.283 -3.672 1.00 1.24 C ATOM 1143 CG ARG A 71 -8.745 -1.166 -4.910 1.00 50.51 C ATOM 1144 CD ARG A 71 -9.027 -2.627 -4.574 1.00 42.10 C ATOM 1145 NE ARG A 71 -7.953 -3.226 -3.790 1.00 65.12 N ATOM 1146 CZ ARG A 71 -6.891 -3.772 -4.310 1.00 43.10 C ATOM 1147 NH1 ARG A 71 -6.724 -3.807 -5.594 1.00 13.22 N ATOM 1148 NH2 ARG A 71 -5.993 -4.282 -3.539 1.00 22.32 N ATOM 0 H ARG A 71 -6.526 0.532 -4.437 1.00 13.03 H new ATOM 0 HA ARG A 71 -9.126 1.515 -4.797 1.00 41.21 H new ATOM 0 HB2 ARG A 71 -7.977 -0.643 -2.981 1.00 1.24 H new ATOM 0 HB3 ARG A 71 -9.699 -0.374 -3.164 1.00 1.24 H new ATOM 0 HG2 ARG A 71 -9.499 -0.804 -5.609 1.00 50.51 H new ATOM 0 HG3 ARG A 71 -7.781 -1.090 -5.413 1.00 50.51 H new ATOM 0 HD2 ARG A 71 -9.963 -2.697 -4.019 1.00 42.10 H new ATOM 0 HD3 ARG A 71 -9.160 -3.192 -5.497 1.00 42.10 H new ATOM 0 HE ARG A 71 -8.039 -3.217 -2.774 1.00 65.12 H new ATOM 0 HH11 ARG A 71 -7.429 -3.404 -6.211 1.00 13.22 H new ATOM 0 HH12 ARG A 71 -5.888 -4.238 -5.988 1.00 13.22 H new ATOM 0 HH21 ARG A 71 -6.116 -4.257 -2.527 1.00 22.32 H new ATOM 0 HH22 ARG A 71 -5.159 -4.711 -3.941 1.00 22.32 H new ATOM 1162 N GLY A 72 -7.832 2.239 -1.877 1.00 41.44 N ATOM 1163 CA GLY A 72 -8.030 3.075 -0.701 1.00 75.32 C ATOM 1164 C GLY A 72 -8.297 4.542 -1.037 1.00 21.13 C ATOM 1165 O GLY A 72 -9.211 5.158 -0.486 1.00 3.55 O ATOM 0 H GLY A 72 -6.905 1.820 -1.952 1.00 41.44 H new ATOM 0 HA2 GLY A 72 -8.868 2.684 -0.123 1.00 75.32 H new ATOM 0 HA3 GLY A 72 -7.147 3.010 -0.066 1.00 75.32 H new ATOM 1169 N LYS A 73 -7.499 5.104 -1.945 1.00 51.23 N ATOM 1170 CA LYS A 73 -7.631 6.520 -2.320 1.00 20.21 C ATOM 1171 C LYS A 73 -8.553 6.728 -3.538 1.00 71.25 C ATOM 1172 O LYS A 73 -8.971 7.853 -3.821 1.00 23.24 O ATOM 1173 CB LYS A 73 -6.244 7.127 -2.574 1.00 43.42 C ATOM 1174 CG LYS A 73 -5.397 7.222 -1.305 1.00 72.41 C ATOM 1175 CD LYS A 73 -4.145 8.074 -1.498 1.00 72.24 C ATOM 1176 CE LYS A 73 -3.349 8.195 -0.201 1.00 64.23 C ATOM 1177 NZ LYS A 73 -2.187 9.108 -0.334 1.00 24.44 N ATOM 0 H LYS A 73 -6.756 4.606 -2.435 1.00 51.23 H new ATOM 0 HA LYS A 73 -8.103 7.036 -1.484 1.00 20.21 H new ATOM 0 HB2 LYS A 73 -5.717 6.522 -3.312 1.00 43.42 H new ATOM 0 HB3 LYS A 73 -6.361 8.122 -3.002 1.00 43.42 H new ATOM 0 HG2 LYS A 73 -6.000 7.645 -0.501 1.00 72.41 H new ATOM 0 HG3 LYS A 73 -5.105 6.220 -0.991 1.00 72.41 H new ATOM 0 HD2 LYS A 73 -3.518 7.632 -2.272 1.00 72.24 H new ATOM 0 HD3 LYS A 73 -4.429 9.067 -1.847 1.00 72.24 H new ATOM 0 HE2 LYS A 73 -4.004 8.558 0.591 1.00 64.23 H new ATOM 0 HE3 LYS A 73 -2.999 7.208 0.101 1.00 64.23 H new ATOM 0 HZ1 LYS A 73 -1.594 9.041 0.517 1.00 24.44 H new ATOM 0 HZ2 LYS A 73 -1.627 8.838 -1.168 1.00 24.44 H new ATOM 0 HZ3 LYS A 73 -2.524 10.085 -0.445 1.00 24.44 H new