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 Set 1.1: A 58 THR OG1 : rot 94:sc= 0.598 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.536 USER MOD Set 1.3: A 61 GLN : amide:sc= 0.924 K(o=2.1,f=-3.9!) USER MOD Single : A 31 MET CE :methyl -159:sc= -0.165 (180deg=-0.688) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.972 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.984 K(o=0.98,f=-0.01) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.039) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.418 -6.494 1.741 1.00 13.33 N ATOM 350 CA ASP A 24 -7.094 -5.985 1.363 1.00 62.14 C ATOM 351 C ASP A 24 -6.004 -6.460 2.342 1.00 35.33 C ATOM 352 O ASP A 24 -4.867 -6.725 1.945 1.00 11.44 O ATOM 353 CB ASP A 24 -7.124 -4.451 1.309 1.00 21.33 C ATOM 354 CG ASP A 24 -8.236 -3.930 0.414 1.00 24.42 C ATOM 355 OD1 ASP A 24 -8.006 -3.769 -0.803 1.00 1.44 O ATOM 356 OD2 ASP A 24 -9.353 -3.694 0.926 1.00 12.55 O ATOM 0 HA ASP A 24 -6.848 -6.380 0.377 1.00 62.14 H new ATOM 0 HB2 ASP A 24 -7.256 -4.056 2.316 1.00 21.33 H new ATOM 0 HB3 ASP A 24 -6.165 -4.083 0.945 1.00 21.33 H new ATOM 361 N GLU A 25 -6.366 -6.585 3.619 1.00 0.44 N ATOM 362 CA GLU A 25 -5.434 -7.051 4.656 1.00 51.54 C ATOM 363 C GLU A 25 -4.980 -8.499 4.399 1.00 62.03 C ATOM 364 O GLU A 25 -3.784 -8.795 4.431 1.00 41.10 O ATOM 365 CB GLU A 25 -6.082 -6.937 6.045 1.00 41.01 C ATOM 366 CG GLU A 25 -6.309 -5.499 6.522 1.00 41.43 C ATOM 367 CD GLU A 25 -5.016 -4.773 6.887 1.00 35.04 C ATOM 368 OE1 GLU A 25 -4.206 -5.343 7.644 1.00 45.32 O ATOM 369 OE2 GLU A 25 -4.813 -3.628 6.433 1.00 22.01 O ATOM 0 H GLU A 25 -7.301 -6.370 3.965 1.00 0.44 H new ATOM 0 HA GLU A 25 -4.551 -6.413 4.620 1.00 51.54 H new ATOM 0 HB2 GLU A 25 -7.040 -7.457 6.029 1.00 41.01 H new ATOM 0 HB3 GLU A 25 -5.452 -7.452 6.770 1.00 41.01 H new ATOM 0 HG2 GLU A 25 -6.823 -4.941 5.739 1.00 41.43 H new ATOM 0 HG3 GLU A 25 -6.968 -5.511 7.390 1.00 41.43 H new ATOM 376 N ARG A 26 -5.932 -9.403 4.131 1.00 72.25 N ATOM 377 CA ARG A 26 -5.592 -10.802 3.827 1.00 74.14 C ATOM 378 C ARG A 26 -4.712 -10.907 2.567 1.00 32.02 C ATOM 379 O ARG A 26 -3.920 -11.841 2.425 1.00 45.51 O ATOM 380 CB ARG A 26 -6.853 -11.666 3.664 1.00 11.42 C ATOM 381 CG ARG A 26 -7.635 -11.884 4.960 1.00 35.30 C ATOM 382 CD ARG A 26 -8.663 -13.007 4.812 1.00 63.12 C ATOM 383 NE ARG A 26 -9.439 -13.222 6.035 1.00 11.31 N ATOM 384 CZ ARG A 26 -9.756 -14.399 6.516 1.00 75.54 C ATOM 385 NH1 ARG A 26 -9.302 -15.488 5.975 1.00 20.53 N ATOM 386 NH2 ARG A 26 -10.522 -14.483 7.555 1.00 1.25 N ATOM 0 H ARG A 26 -6.931 -9.196 4.118 1.00 72.25 H new ATOM 0 HA ARG A 26 -5.024 -11.181 4.676 1.00 74.14 H new ATOM 0 HB2 ARG A 26 -7.509 -11.196 2.931 1.00 11.42 H new ATOM 0 HB3 ARG A 26 -6.565 -12.636 3.259 1.00 11.42 H new ATOM 0 HG2 ARG A 26 -6.944 -12.126 5.767 1.00 35.30 H new ATOM 0 HG3 ARG A 26 -8.141 -10.960 5.240 1.00 35.30 H new ATOM 0 HD2 ARG A 26 -9.341 -12.769 3.993 1.00 63.12 H new ATOM 0 HD3 ARG A 26 -8.151 -13.931 4.543 1.00 63.12 H new ATOM 0 HE ARG A 26 -9.755 -12.399 6.548 1.00 11.31 H new ATOM 0 HH11 ARG A 26 -8.688 -15.436 5.162 1.00 20.53 H new ATOM 0 HH12 ARG A 26 -9.559 -16.396 6.363 1.00 20.53 H new ATOM 0 HH21 ARG A 26 -10.877 -13.635 7.997 1.00 1.25 H new ATOM 0 HH22 ARG A 26 -10.771 -15.397 7.932 1.00 1.25 H new ATOM 400 N ARG A 27 -4.864 -9.949 1.651 1.00 74.41 N ATOM 401 CA ARG A 27 -3.997 -9.861 0.471 1.00 21.31 C ATOM 402 C ARG A 27 -2.586 -9.400 0.870 1.00 45.31 C ATOM 403 O ARG A 27 -1.584 -9.913 0.369 1.00 35.21 O ATOM 404 CB ARG A 27 -4.606 -8.905 -0.571 1.00 62.31 C ATOM 405 CG ARG A 27 -5.961 -9.361 -1.119 1.00 54.13 C ATOM 406 CD ARG A 27 -5.837 -10.495 -2.141 1.00 12.23 C ATOM 407 NE ARG A 27 -5.086 -11.643 -1.627 1.00 41.25 N ATOM 408 CZ ARG A 27 -5.607 -12.808 -1.340 1.00 54.54 C ATOM 409 NH1 ARG A 27 -6.869 -13.032 -1.524 1.00 42.44 N ATOM 410 NH2 ARG A 27 -4.854 -13.752 -0.877 1.00 71.13 N ATOM 0 H ARG A 27 -5.578 -9.223 1.702 1.00 74.41 H new ATOM 0 HA ARG A 27 -3.918 -10.852 0.025 1.00 21.31 H new ATOM 0 HB2 ARG A 27 -4.721 -7.919 -0.121 1.00 62.31 H new ATOM 0 HB3 ARG A 27 -3.908 -8.797 -1.401 1.00 62.31 H new ATOM 0 HG2 ARG A 27 -6.590 -9.691 -0.292 1.00 54.13 H new ATOM 0 HG3 ARG A 27 -6.464 -8.513 -1.584 1.00 54.13 H new ATOM 0 HD2 ARG A 27 -6.834 -10.822 -2.437 1.00 12.23 H new ATOM 0 HD3 ARG A 27 -5.346 -10.118 -3.038 1.00 12.23 H new ATOM 0 HE ARG A 27 -4.083 -11.525 -1.482 1.00 41.25 H new ATOM 0 HH11 ARG A 27 -7.469 -12.296 -1.897 1.00 42.44 H new ATOM 0 HH12 ARG A 27 -7.263 -13.945 -1.296 1.00 42.44 H new ATOM 0 HH21 ARG A 27 -3.857 -13.587 -0.737 1.00 71.13 H new ATOM 0 HH22 ARG A 27 -5.257 -14.662 -0.652 1.00 71.13 H new ATOM 424 N ALA A 28 -2.527 -8.443 1.796 1.00 52.31 N ATOM 425 CA ALA A 28 -1.254 -7.927 2.312 1.00 62.53 C ATOM 426 C ALA A 28 -0.441 -9.026 3.016 1.00 14.50 C ATOM 427 O ALA A 28 0.713 -9.282 2.667 1.00 11.23 O ATOM 428 CB ALA A 28 -1.510 -6.759 3.264 1.00 35.34 C ATOM 0 H ALA A 28 -3.351 -8.005 2.208 1.00 52.31 H new ATOM 0 HA ALA A 28 -0.665 -7.576 1.465 1.00 62.53 H new ATOM 0 HB1 ALA A 28 -0.559 -6.383 3.642 1.00 35.34 H new ATOM 0 HB2 ALA A 28 -2.030 -5.963 2.731 1.00 35.34 H new ATOM 0 HB3 ALA A 28 -2.124 -7.098 4.099 1.00 35.34 H new ATOM 434 N LEU A 29 -1.050 -9.684 4.002 1.00 34.04 N ATOM 435 CA LEU A 29 -0.369 -10.744 4.758 1.00 13.55 C ATOM 436 C LEU A 29 -0.075 -11.983 3.889 1.00 42.24 C ATOM 437 O LEU A 29 0.803 -12.784 4.218 1.00 12.22 O ATOM 438 CB LEU A 29 -1.172 -11.112 6.021 1.00 63.33 C ATOM 439 CG LEU A 29 -2.631 -11.561 5.802 1.00 1.24 C ATOM 440 CD1 LEU A 29 -2.711 -13.043 5.444 1.00 20.05 C ATOM 441 CD2 LEU A 29 -3.482 -11.255 7.037 1.00 25.21 C ATOM 0 H LEU A 29 -2.010 -9.506 4.298 1.00 34.04 H new ATOM 0 HA LEU A 29 0.598 -10.353 5.073 1.00 13.55 H new ATOM 0 HB2 LEU A 29 -0.643 -11.911 6.541 1.00 63.33 H new ATOM 0 HB3 LEU A 29 -1.177 -10.248 6.686 1.00 63.33 H new ATOM 0 HG LEU A 29 -3.029 -10.995 4.960 1.00 1.24 H new ATOM 0 HD11 LEU A 29 -3.753 -13.326 5.297 1.00 20.05 H new ATOM 0 HD12 LEU A 29 -2.152 -13.226 4.526 1.00 20.05 H new ATOM 0 HD13 LEU A 29 -2.285 -13.636 6.253 1.00 20.05 H new ATOM 0 HD21 LEU A 29 -4.508 -11.580 6.862 1.00 25.21 H new ATOM 0 HD22 LEU A 29 -3.076 -11.785 7.899 1.00 25.21 H new ATOM 0 HD23 LEU A 29 -3.469 -10.183 7.231 1.00 25.21 H new ATOM 453 N ALA A 30 -0.807 -12.137 2.781 1.00 60.35 N ATOM 454 CA ALA A 30 -0.527 -13.199 1.805 1.00 3.22 C ATOM 455 C ALA A 30 0.855 -12.999 1.160 1.00 71.51 C ATOM 456 O ALA A 30 1.611 -13.951 0.965 1.00 64.12 O ATOM 457 CB ALA A 30 -1.615 -13.235 0.735 1.00 34.22 C ATOM 0 H ALA A 30 -1.598 -11.541 2.536 1.00 60.35 H new ATOM 0 HA ALA A 30 -0.521 -14.154 2.330 1.00 3.22 H new ATOM 0 HB1 ALA A 30 -1.395 -14.026 0.019 1.00 34.22 H new ATOM 0 HB2 ALA A 30 -2.580 -13.428 1.204 1.00 34.22 H new ATOM 0 HB3 ALA A 30 -1.648 -12.276 0.218 1.00 34.22 H new ATOM 463 N MET A 31 1.176 -11.745 0.837 1.00 24.41 N ATOM 464 CA MET A 31 2.511 -11.382 0.337 1.00 3.45 C ATOM 465 C MET A 31 3.430 -10.949 1.495 1.00 50.13 C ATOM 466 O MET A 31 4.533 -10.451 1.275 1.00 23.41 O ATOM 467 CB MET A 31 2.398 -10.247 -0.691 1.00 1.24 C ATOM 468 CG MET A 31 1.624 -10.628 -1.948 1.00 65.22 C ATOM 469 SD MET A 31 2.434 -11.929 -2.903 1.00 53.42 S ATOM 470 CE MET A 31 3.986 -11.139 -3.319 1.00 3.32 C ATOM 0 H MET A 31 0.530 -10.959 0.912 1.00 24.41 H new ATOM 0 HA MET A 31 2.947 -12.259 -0.142 1.00 3.45 H new ATOM 0 HB2 MET A 31 1.912 -9.392 -0.222 1.00 1.24 H new ATOM 0 HB3 MET A 31 3.400 -9.927 -0.976 1.00 1.24 H new ATOM 0 HG2 MET A 31 0.624 -10.959 -1.667 1.00 65.22 H new ATOM 0 HG3 MET A 31 1.503 -9.745 -2.576 1.00 65.22 H new ATOM 0 HE1 MET A 31 4.425 -11.634 -4.185 1.00 3.32 H new ATOM 0 HE2 MET A 31 3.809 -10.089 -3.552 1.00 3.32 H new ATOM 0 HE3 MET A 31 4.670 -11.213 -2.474 1.00 3.32 H new ATOM 480 N LYS A 32 2.947 -11.154 2.723 1.00 11.40 N ATOM 481 CA LYS A 32 3.667 -10.783 3.948 1.00 34.13 C ATOM 482 C LYS A 32 4.078 -9.301 3.965 1.00 50.32 C ATOM 483 O LYS A 32 5.263 -8.962 3.919 1.00 10.23 O ATOM 484 CB LYS A 32 4.878 -11.699 4.165 1.00 53.11 C ATOM 485 CG LYS A 32 4.494 -13.163 4.392 1.00 10.20 C ATOM 486 CD LYS A 32 5.707 -14.040 4.687 1.00 13.43 C ATOM 487 CE LYS A 32 6.683 -14.073 3.521 1.00 31.42 C ATOM 488 NZ LYS A 32 7.856 -14.937 3.810 1.00 41.32 N ATOM 0 H LYS A 32 2.039 -11.585 2.898 1.00 11.40 H new ATOM 0 HA LYS A 32 2.976 -10.922 4.779 1.00 34.13 H new ATOM 0 HB2 LYS A 32 5.535 -11.633 3.298 1.00 53.11 H new ATOM 0 HB3 LYS A 32 5.446 -11.342 5.024 1.00 53.11 H new ATOM 0 HG2 LYS A 32 3.791 -13.227 5.223 1.00 10.20 H new ATOM 0 HG3 LYS A 32 3.980 -13.543 3.509 1.00 10.20 H new ATOM 0 HD2 LYS A 32 6.216 -13.667 5.576 1.00 13.43 H new ATOM 0 HD3 LYS A 32 5.375 -15.054 4.911 1.00 13.43 H new ATOM 0 HE2 LYS A 32 6.173 -14.438 2.630 1.00 31.42 H new ATOM 0 HE3 LYS A 32 7.022 -13.061 3.302 1.00 31.42 H new ATOM 0 HZ1 LYS A 32 8.499 -14.935 2.992 1.00 41.32 H new ATOM 0 HZ2 LYS A 32 8.357 -14.574 4.646 1.00 41.32 H new ATOM 0 HZ3 LYS A 32 7.534 -15.909 3.995 1.00 41.32 H new ATOM 502 N ILE A 33 3.073 -8.427 4.006 1.00 63.33 N ATOM 503 CA ILE A 33 3.284 -6.985 4.150 1.00 5.23 C ATOM 504 C ILE A 33 3.188 -6.568 5.635 1.00 65.11 C ATOM 505 O ILE A 33 2.119 -6.642 6.244 1.00 54.24 O ATOM 506 CB ILE A 33 2.249 -6.188 3.311 1.00 73.43 C ATOM 507 CG1 ILE A 33 2.388 -6.529 1.814 1.00 54.43 C ATOM 508 CG2 ILE A 33 2.398 -4.685 3.537 1.00 22.00 C ATOM 509 CD1 ILE A 33 3.754 -6.215 1.234 1.00 44.23 C ATOM 0 H ILE A 33 2.091 -8.697 3.941 1.00 63.33 H new ATOM 0 HA ILE A 33 4.283 -6.754 3.781 1.00 5.23 H new ATOM 0 HB ILE A 33 1.252 -6.479 3.641 1.00 73.43 H new ATOM 0 HG12 ILE A 33 2.180 -7.590 1.673 1.00 54.43 H new ATOM 0 HG13 ILE A 33 1.632 -5.978 1.255 1.00 54.43 H new ATOM 0 HG21 ILE A 33 1.661 -4.152 2.937 1.00 22.00 H new ATOM 0 HG22 ILE A 33 2.240 -4.458 4.591 1.00 22.00 H new ATOM 0 HG23 ILE A 33 3.400 -4.371 3.244 1.00 22.00 H new ATOM 0 HD11 ILE A 33 3.771 -6.483 0.178 1.00 44.23 H new ATOM 0 HD12 ILE A 33 3.959 -5.150 1.341 1.00 44.23 H new ATOM 0 HD13 ILE A 33 4.515 -6.786 1.766 1.00 44.23 H new ATOM 521 N PRO A 34 4.309 -6.117 6.233 1.00 71.24 N ATOM 522 CA PRO A 34 4.384 -5.830 7.677 1.00 41.22 C ATOM 523 C PRO A 34 3.854 -4.438 8.082 1.00 61.32 C ATOM 524 O PRO A 34 4.313 -3.861 9.069 1.00 2.41 O ATOM 525 CB PRO A 34 5.888 -5.934 7.944 1.00 54.42 C ATOM 526 CG PRO A 34 6.526 -5.461 6.679 1.00 1.51 C ATOM 527 CD PRO A 34 5.598 -5.862 5.556 1.00 22.44 C ATOM 0 HA PRO A 34 3.758 -6.510 8.255 1.00 41.22 H new ATOM 0 HB2 PRO A 34 6.184 -5.317 8.793 1.00 54.42 H new ATOM 0 HB3 PRO A 34 6.180 -6.958 8.177 1.00 54.42 H new ATOM 0 HG2 PRO A 34 6.669 -4.381 6.697 1.00 1.51 H new ATOM 0 HG3 PRO A 34 7.510 -5.911 6.549 1.00 1.51 H new ATOM 0 HD2 PRO A 34 5.508 -5.072 4.811 1.00 22.44 H new ATOM 0 HD3 PRO A 34 5.959 -6.750 5.037 1.00 22.44 H new ATOM 535 N PHE A 35 2.881 -3.912 7.337 1.00 21.42 N ATOM 536 CA PHE A 35 2.257 -2.620 7.674 1.00 4.00 C ATOM 537 C PHE A 35 0.802 -2.534 7.162 1.00 0.44 C ATOM 538 O PHE A 35 0.445 -3.176 6.174 1.00 72.21 O ATOM 539 CB PHE A 35 3.105 -1.441 7.150 1.00 14.41 C ATOM 540 CG PHE A 35 3.603 -1.589 5.731 1.00 25.01 C ATOM 541 CD1 PHE A 35 2.850 -1.136 4.660 1.00 45.41 C ATOM 542 CD2 PHE A 35 4.839 -2.167 5.477 1.00 1.42 C ATOM 543 CE1 PHE A 35 3.319 -1.260 3.364 1.00 50.21 C ATOM 544 CE2 PHE A 35 5.311 -2.291 4.186 1.00 13.31 C ATOM 545 CZ PHE A 35 4.550 -1.837 3.127 1.00 20.50 C ATOM 0 H PHE A 35 2.505 -4.354 6.498 1.00 21.42 H new ATOM 0 HA PHE A 35 2.220 -2.551 8.761 1.00 4.00 H new ATOM 0 HB2 PHE A 35 2.512 -0.529 7.217 1.00 14.41 H new ATOM 0 HB3 PHE A 35 3.964 -1.311 7.808 1.00 14.41 H new ATOM 0 HD1 PHE A 35 1.887 -0.681 4.838 1.00 45.41 H new ATOM 0 HD2 PHE A 35 5.439 -2.524 6.300 1.00 1.42 H new ATOM 0 HE1 PHE A 35 2.721 -0.905 2.537 1.00 50.21 H new ATOM 0 HE2 PHE A 35 6.275 -2.743 4.004 1.00 13.31 H new ATOM 0 HZ PHE A 35 4.917 -1.933 2.116 1.00 20.50 H new ATOM 555 N PRO A 36 -0.059 -1.742 7.848 1.00 73.04 N ATOM 556 CA PRO A 36 -1.505 -1.647 7.527 1.00 23.32 C ATOM 557 C PRO A 36 -1.809 -0.996 6.162 1.00 61.34 C ATOM 558 O PRO A 36 -1.155 -0.031 5.753 1.00 71.23 O ATOM 559 CB PRO A 36 -2.060 -0.782 8.671 1.00 25.44 C ATOM 560 CG PRO A 36 -0.894 0.015 9.146 1.00 30.53 C ATOM 561 CD PRO A 36 0.304 -0.881 8.992 1.00 23.14 C ATOM 0 HA PRO A 36 -1.953 -2.637 7.446 1.00 23.32 H new ATOM 0 HB2 PRO A 36 -2.866 -0.135 8.323 1.00 25.44 H new ATOM 0 HB3 PRO A 36 -2.469 -1.399 9.471 1.00 25.44 H new ATOM 0 HG2 PRO A 36 -0.779 0.927 8.560 1.00 30.53 H new ATOM 0 HG3 PRO A 36 -1.025 0.318 10.185 1.00 30.53 H new ATOM 0 HD2 PRO A 36 1.211 -0.309 8.793 1.00 23.14 H new ATOM 0 HD3 PRO A 36 0.487 -1.466 9.893 1.00 23.14 H new ATOM 569 N THR A 37 -2.834 -1.515 5.479 1.00 0.23 N ATOM 570 CA THR A 37 -3.226 -1.019 4.146 1.00 3.22 C ATOM 571 C THR A 37 -3.753 0.422 4.196 1.00 54.14 C ATOM 572 O THR A 37 -3.409 1.254 3.353 1.00 3.34 O ATOM 573 CB THR A 37 -4.315 -1.914 3.500 1.00 64.44 C ATOM 574 OG1 THR A 37 -5.504 -1.913 4.308 1.00 72.42 O ATOM 575 CG2 THR A 37 -3.820 -3.346 3.319 1.00 50.35 C ATOM 0 H THR A 37 -3.412 -2.281 5.824 1.00 0.23 H new ATOM 0 HA THR A 37 -2.319 -1.048 3.542 1.00 3.22 H new ATOM 0 HB THR A 37 -4.543 -1.502 2.517 1.00 64.44 H new ATOM 0 HG1 THR A 37 -5.364 -2.478 5.096 1.00 72.42 H new ATOM 0 HG21 THR A 37 -4.606 -3.948 2.864 1.00 50.35 H new ATOM 0 HG22 THR A 37 -2.942 -3.349 2.674 1.00 50.35 H new ATOM 0 HG23 THR A 37 -3.558 -3.766 4.290 1.00 50.35 H new ATOM 583 N ASP A 38 -4.582 0.710 5.194 1.00 1.43 N ATOM 584 CA ASP A 38 -5.189 2.036 5.353 1.00 43.44 C ATOM 585 C ASP A 38 -4.133 3.156 5.450 1.00 12.32 C ATOM 586 O ASP A 38 -4.309 4.234 4.874 1.00 43.43 O ATOM 587 CB ASP A 38 -6.104 2.040 6.581 1.00 44.01 C ATOM 588 CG ASP A 38 -5.427 1.445 7.802 1.00 71.15 C ATOM 589 OD1 ASP A 38 -5.359 0.203 7.900 1.00 54.34 O ATOM 590 OD2 ASP A 38 -4.955 2.215 8.662 1.00 40.41 O ATOM 0 H ASP A 38 -4.854 0.039 5.913 1.00 1.43 H new ATOM 0 HA ASP A 38 -5.780 2.243 4.461 1.00 43.44 H new ATOM 0 HB2 ASP A 38 -6.411 3.063 6.800 1.00 44.01 H new ATOM 0 HB3 ASP A 38 -7.010 1.476 6.359 1.00 44.01 H new ATOM 595 N LYS A 39 -3.037 2.904 6.170 1.00 2.14 N ATOM 596 CA LYS A 39 -1.945 3.884 6.274 1.00 73.32 C ATOM 597 C LYS A 39 -1.347 4.198 4.892 1.00 55.32 C ATOM 598 O LYS A 39 -1.163 5.362 4.537 1.00 52.41 O ATOM 599 CB LYS A 39 -0.847 3.382 7.224 1.00 23.15 C ATOM 600 CG LYS A 39 0.342 4.333 7.331 1.00 42.31 C ATOM 601 CD LYS A 39 1.360 3.878 8.374 1.00 72.41 C ATOM 602 CE LYS A 39 0.801 3.955 9.791 1.00 32.42 C ATOM 603 NZ LYS A 39 1.819 3.582 10.811 1.00 1.24 N ATOM 0 H LYS A 39 -2.879 2.039 6.687 1.00 2.14 H new ATOM 0 HA LYS A 39 -2.366 4.803 6.683 1.00 73.32 H new ATOM 0 HB2 LYS A 39 -1.275 3.233 8.216 1.00 23.15 H new ATOM 0 HB3 LYS A 39 -0.495 2.409 6.880 1.00 23.15 H new ATOM 0 HG2 LYS A 39 0.831 4.410 6.360 1.00 42.31 H new ATOM 0 HG3 LYS A 39 -0.016 5.330 7.587 1.00 42.31 H new ATOM 0 HD2 LYS A 39 1.665 2.854 8.160 1.00 72.41 H new ATOM 0 HD3 LYS A 39 2.254 4.498 8.303 1.00 72.41 H new ATOM 0 HE2 LYS A 39 0.445 4.967 9.986 1.00 32.42 H new ATOM 0 HE3 LYS A 39 -0.060 3.292 9.878 1.00 32.42 H new ATOM 0 HZ1 LYS A 39 1.399 3.647 11.760 1.00 1.24 H new ATOM 0 HZ2 LYS A 39 2.140 2.608 10.641 1.00 1.24 H new ATOM 0 HZ3 LYS A 39 2.630 4.230 10.746 1.00 1.24 H new ATOM 617 N ILE A 40 -1.078 3.148 4.115 1.00 52.32 N ATOM 618 CA ILE A 40 -0.545 3.283 2.747 1.00 42.00 C ATOM 619 C ILE A 40 -1.365 4.295 1.923 1.00 52.12 C ATOM 620 O ILE A 40 -0.819 5.105 1.173 1.00 30.15 O ATOM 621 CB ILE A 40 -0.571 1.915 2.015 1.00 43.21 C ATOM 622 CG1 ILE A 40 0.184 0.849 2.828 1.00 53.34 C ATOM 623 CG2 ILE A 40 0.017 2.041 0.611 1.00 22.44 C ATOM 624 CD1 ILE A 40 0.015 -0.561 2.293 1.00 5.41 C ATOM 0 H ILE A 40 -1.221 2.182 4.409 1.00 52.32 H new ATOM 0 HA ILE A 40 0.481 3.640 2.835 1.00 42.00 H new ATOM 0 HB ILE A 40 -1.610 1.599 1.921 1.00 43.21 H new ATOM 0 HG12 ILE A 40 1.245 1.098 2.840 1.00 53.34 H new ATOM 0 HG13 ILE A 40 -0.163 0.880 3.861 1.00 53.34 H new ATOM 0 HG21 ILE A 40 -0.011 1.070 0.116 1.00 22.44 H new ATOM 0 HG22 ILE A 40 -0.567 2.759 0.035 1.00 22.44 H new ATOM 0 HG23 ILE A 40 1.049 2.384 0.678 1.00 22.44 H new ATOM 0 HD11 ILE A 40 0.576 -1.257 2.917 1.00 5.41 H new ATOM 0 HD12 ILE A 40 -1.041 -0.831 2.307 1.00 5.41 H new ATOM 0 HD13 ILE A 40 0.389 -0.609 1.270 1.00 5.41 H new ATOM 636 N VAL A 41 -2.680 4.231 2.086 1.00 43.42 N ATOM 637 CA VAL A 41 -3.611 5.095 1.357 1.00 61.55 C ATOM 638 C VAL A 41 -3.498 6.572 1.781 1.00 11.42 C ATOM 639 O VAL A 41 -3.671 7.480 0.964 1.00 11.34 O ATOM 640 CB VAL A 41 -5.065 4.613 1.574 1.00 1.54 C ATOM 641 CG1 VAL A 41 -6.057 5.487 0.807 1.00 44.14 C ATOM 642 CG2 VAL A 41 -5.203 3.143 1.175 1.00 30.10 C ATOM 0 H VAL A 41 -3.135 3.580 2.726 1.00 43.42 H new ATOM 0 HA VAL A 41 -3.344 5.029 0.302 1.00 61.55 H new ATOM 0 HB VAL A 41 -5.301 4.704 2.634 1.00 1.54 H new ATOM 0 HG11 VAL A 41 -7.070 5.124 0.979 1.00 44.14 H new ATOM 0 HG12 VAL A 41 -5.977 6.518 1.153 1.00 44.14 H new ATOM 0 HG13 VAL A 41 -5.832 5.444 -0.259 1.00 44.14 H new ATOM 0 HG21 VAL A 41 -6.231 2.818 1.333 1.00 30.10 H new ATOM 0 HG22 VAL A 41 -4.943 3.026 0.123 1.00 30.10 H new ATOM 0 HG23 VAL A 41 -4.533 2.536 1.784 1.00 30.10 H new ATOM 652 N ASN A 42 -3.204 6.809 3.057 1.00 2.31 N ATOM 653 CA ASN A 42 -3.165 8.173 3.600 1.00 1.32 C ATOM 654 C ASN A 42 -1.756 8.787 3.568 1.00 52.43 C ATOM 655 O ASN A 42 -1.582 9.964 3.895 1.00 25.02 O ATOM 656 CB ASN A 42 -3.718 8.192 5.028 1.00 5.24 C ATOM 657 CG ASN A 42 -5.208 7.914 5.066 1.00 73.35 C ATOM 658 OD1 ASN A 42 -6.025 8.823 4.936 1.00 42.31 O ATOM 659 ND2 ASN A 42 -5.580 6.665 5.241 1.00 34.10 N ATOM 0 H ASN A 42 -2.989 6.079 3.736 1.00 2.31 H new ATOM 0 HA ASN A 42 -3.794 8.788 2.956 1.00 1.32 H new ATOM 0 HB2 ASN A 42 -3.195 7.448 5.629 1.00 5.24 H new ATOM 0 HB3 ASN A 42 -3.519 9.164 5.480 1.00 5.24 H new ATOM 0 HD21 ASN A 42 -6.572 6.428 5.272 1.00 34.10 H new ATOM 0 HD22 ASN A 42 -4.877 5.933 5.346 1.00 34.10 H new ATOM 666 N LEU A 43 -0.754 8.000 3.183 1.00 60.21 N ATOM 667 CA LEU A 43 0.620 8.506 3.066 1.00 54.34 C ATOM 668 C LEU A 43 0.834 9.270 1.747 1.00 43.22 C ATOM 669 O LEU A 43 0.288 8.893 0.707 1.00 45.11 O ATOM 670 CB LEU A 43 1.631 7.351 3.163 1.00 33.53 C ATOM 671 CG LEU A 43 1.716 6.654 4.531 1.00 11.30 C ATOM 672 CD1 LEU A 43 2.736 5.518 4.495 1.00 13.32 C ATOM 673 CD2 LEU A 43 2.059 7.655 5.633 1.00 71.42 C ATOM 0 H LEU A 43 -0.862 7.014 2.947 1.00 60.21 H new ATOM 0 HA LEU A 43 0.781 9.199 3.892 1.00 54.34 H new ATOM 0 HB2 LEU A 43 1.376 6.605 2.411 1.00 33.53 H new ATOM 0 HB3 LEU A 43 2.619 7.735 2.909 1.00 33.53 H new ATOM 0 HG LEU A 43 0.738 6.228 4.755 1.00 11.30 H new ATOM 0 HD11 LEU A 43 2.781 5.038 5.473 1.00 13.32 H new ATOM 0 HD12 LEU A 43 2.439 4.786 3.744 1.00 13.32 H new ATOM 0 HD13 LEU A 43 3.718 5.918 4.242 1.00 13.32 H new ATOM 0 HD21 LEU A 43 2.113 7.137 6.591 1.00 71.42 H new ATOM 0 HD22 LEU A 43 3.021 8.119 5.416 1.00 71.42 H new ATOM 0 HD23 LEU A 43 1.288 8.424 5.679 1.00 71.42 H new ATOM 685 N PRO A 44 1.619 10.366 1.774 1.00 43.15 N ATOM 686 CA PRO A 44 2.026 11.074 0.549 1.00 23.32 C ATOM 687 C PRO A 44 3.079 10.275 -0.238 1.00 12.42 C ATOM 688 O PRO A 44 3.815 9.474 0.343 1.00 60.00 O ATOM 689 CB PRO A 44 2.618 12.384 1.087 1.00 0.22 C ATOM 690 CG PRO A 44 3.118 12.038 2.449 1.00 43.43 C ATOM 691 CD PRO A 44 2.163 11.004 2.991 1.00 22.44 C ATOM 0 HA PRO A 44 1.202 11.226 -0.148 1.00 23.32 H new ATOM 0 HB2 PRO A 44 3.424 12.747 0.449 1.00 0.22 H new ATOM 0 HB3 PRO A 44 1.866 13.172 1.129 1.00 0.22 H new ATOM 0 HG2 PRO A 44 4.134 11.645 2.404 1.00 43.43 H new ATOM 0 HG3 PRO A 44 3.145 12.919 3.090 1.00 43.43 H new ATOM 0 HD2 PRO A 44 2.673 10.282 3.629 1.00 22.44 H new ATOM 0 HD3 PRO A 44 1.376 11.460 3.591 1.00 22.44 H new ATOM 699 N VAL A 45 3.161 10.496 -1.554 1.00 2.45 N ATOM 700 CA VAL A 45 4.071 9.719 -2.412 1.00 32.42 C ATOM 701 C VAL A 45 5.520 9.716 -1.879 1.00 51.41 C ATOM 702 O VAL A 45 6.227 8.717 -2.002 1.00 34.31 O ATOM 703 CB VAL A 45 4.049 10.223 -3.879 1.00 24.15 C ATOM 704 CG1 VAL A 45 4.569 11.653 -3.983 1.00 33.10 C ATOM 705 CG2 VAL A 45 4.840 9.284 -4.789 1.00 55.31 C ATOM 0 H VAL A 45 2.614 11.201 -2.049 1.00 2.45 H new ATOM 0 HA VAL A 45 3.702 8.694 -2.391 1.00 32.42 H new ATOM 0 HB VAL A 45 3.012 10.225 -4.214 1.00 24.15 H new ATOM 0 HG11 VAL A 45 4.540 11.976 -5.024 1.00 33.10 H new ATOM 0 HG12 VAL A 45 3.943 12.312 -3.381 1.00 33.10 H new ATOM 0 HG13 VAL A 45 5.595 11.694 -3.618 1.00 33.10 H new ATOM 0 HG21 VAL A 45 4.810 9.658 -5.812 1.00 55.31 H new ATOM 0 HG22 VAL A 45 5.875 9.236 -4.450 1.00 55.31 H new ATOM 0 HG23 VAL A 45 4.400 8.287 -4.754 1.00 55.31 H new ATOM 715 N ASP A 46 5.946 10.826 -1.271 1.00 45.23 N ATOM 716 CA ASP A 46 7.277 10.910 -0.650 1.00 63.45 C ATOM 717 C ASP A 46 7.477 9.805 0.406 1.00 22.32 C ATOM 718 O ASP A 46 8.343 8.936 0.264 1.00 24.22 O ATOM 719 CB ASP A 46 7.471 12.291 -0.008 1.00 34.51 C ATOM 720 CG ASP A 46 7.474 13.408 -1.034 1.00 34.21 C ATOM 721 OD1 ASP A 46 6.381 13.838 -1.458 1.00 12.20 O ATOM 722 OD2 ASP A 46 8.571 13.859 -1.425 1.00 24.02 O ATOM 0 H ASP A 46 5.392 11.679 -1.194 1.00 45.23 H new ATOM 0 HA ASP A 46 8.022 10.766 -1.432 1.00 63.45 H new ATOM 0 HB2 ASP A 46 6.675 12.468 0.716 1.00 34.51 H new ATOM 0 HB3 ASP A 46 8.412 12.304 0.543 1.00 34.51 H new ATOM 727 N ASP A 47 6.658 9.834 1.454 1.00 72.14 N ATOM 728 CA ASP A 47 6.724 8.827 2.518 1.00 10.05 C ATOM 729 C ASP A 47 6.350 7.428 2.007 1.00 64.02 C ATOM 730 O ASP A 47 6.765 6.421 2.580 1.00 72.42 O ATOM 731 CB ASP A 47 5.817 9.239 3.680 1.00 34.30 C ATOM 732 CG ASP A 47 6.358 10.458 4.399 1.00 50.23 C ATOM 733 OD1 ASP A 47 6.232 11.578 3.864 1.00 32.22 O ATOM 734 OD2 ASP A 47 6.932 10.298 5.497 1.00 25.04 O ATOM 0 H ASP A 47 5.939 10.544 1.592 1.00 72.14 H new ATOM 0 HA ASP A 47 7.755 8.775 2.868 1.00 10.05 H new ATOM 0 HB2 ASP A 47 4.816 9.451 3.305 1.00 34.30 H new ATOM 0 HB3 ASP A 47 5.725 8.411 4.383 1.00 34.30 H new ATOM 739 N PHE A 48 5.566 7.374 0.933 1.00 61.52 N ATOM 740 CA PHE A 48 5.245 6.107 0.266 1.00 4.35 C ATOM 741 C PHE A 48 6.521 5.465 -0.309 1.00 50.44 C ATOM 742 O PHE A 48 6.782 4.276 -0.110 1.00 55.34 O ATOM 743 CB PHE A 48 4.212 6.352 -0.847 1.00 32.21 C ATOM 744 CG PHE A 48 3.823 5.117 -1.624 1.00 64.33 C ATOM 745 CD1 PHE A 48 2.910 4.210 -1.103 1.00 52.12 C ATOM 746 CD2 PHE A 48 4.369 4.866 -2.876 1.00 4.44 C ATOM 747 CE1 PHE A 48 2.552 3.081 -1.815 1.00 63.12 C ATOM 748 CE2 PHE A 48 4.013 3.740 -3.590 1.00 41.55 C ATOM 749 CZ PHE A 48 3.104 2.845 -3.060 1.00 33.51 C ATOM 0 H PHE A 48 5.138 8.194 0.502 1.00 61.52 H new ATOM 0 HA PHE A 48 4.818 5.419 0.996 1.00 4.35 H new ATOM 0 HB2 PHE A 48 3.315 6.784 -0.404 1.00 32.21 H new ATOM 0 HB3 PHE A 48 4.613 7.091 -1.541 1.00 32.21 H new ATOM 0 HD1 PHE A 48 2.475 4.389 -0.131 1.00 52.12 H new ATOM 0 HD2 PHE A 48 5.081 5.561 -3.296 1.00 4.44 H new ATOM 0 HE1 PHE A 48 1.841 2.383 -1.399 1.00 63.12 H new ATOM 0 HE2 PHE A 48 4.445 3.559 -4.563 1.00 41.55 H new ATOM 0 HZ PHE A 48 2.825 1.963 -3.617 1.00 33.51 H new ATOM 759 N ASN A 49 7.314 6.272 -1.016 1.00 11.33 N ATOM 760 CA ASN A 49 8.607 5.828 -1.545 1.00 23.11 C ATOM 761 C ASN A 49 9.547 5.403 -0.407 1.00 51.14 C ATOM 762 O ASN A 49 10.198 4.355 -0.475 1.00 2.23 O ATOM 763 CB ASN A 49 9.255 6.951 -2.370 1.00 62.34 C ATOM 764 CG ASN A 49 8.463 7.290 -3.620 1.00 5.24 C ATOM 765 OD1 ASN A 49 7.835 6.430 -4.230 1.00 71.14 O ATOM 766 ND2 ASN A 49 8.497 8.543 -4.024 1.00 52.23 N ATOM 0 H ASN A 49 7.083 7.241 -1.237 1.00 11.33 H new ATOM 0 HA ASN A 49 8.434 4.965 -2.189 1.00 23.11 H new ATOM 0 HB2 ASN A 49 9.349 7.843 -1.751 1.00 62.34 H new ATOM 0 HB3 ASN A 49 10.264 6.652 -2.654 1.00 62.34 H new ATOM 0 HD21 ASN A 49 7.992 8.821 -4.865 1.00 52.23 H new ATOM 0 HD22 ASN A 49 9.028 9.235 -3.495 1.00 52.23 H new ATOM 773 N GLU A 50 9.614 6.224 0.642 1.00 52.24 N ATOM 774 CA GLU A 50 10.417 5.903 1.827 1.00 15.22 C ATOM 775 C GLU A 50 9.946 4.596 2.484 1.00 24.11 C ATOM 776 O GLU A 50 10.761 3.782 2.914 1.00 44.42 O ATOM 777 CB GLU A 50 10.360 7.055 2.845 1.00 71.25 C ATOM 778 CG GLU A 50 10.937 8.371 2.329 1.00 11.41 C ATOM 779 CD GLU A 50 12.392 8.248 1.903 1.00 41.52 C ATOM 780 OE1 GLU A 50 13.278 8.253 2.781 1.00 63.15 O ATOM 781 OE2 GLU A 50 12.658 8.138 0.688 1.00 34.34 O ATOM 0 H GLU A 50 9.123 7.116 0.697 1.00 52.24 H new ATOM 0 HA GLU A 50 11.448 5.767 1.501 1.00 15.22 H new ATOM 0 HB2 GLU A 50 9.323 7.216 3.138 1.00 71.25 H new ATOM 0 HB3 GLU A 50 10.903 6.760 3.743 1.00 71.25 H new ATOM 0 HG2 GLU A 50 10.343 8.716 1.483 1.00 11.41 H new ATOM 0 HG3 GLU A 50 10.854 9.129 3.107 1.00 11.41 H new ATOM 788 N LEU A 51 8.630 4.399 2.541 1.00 52.21 N ATOM 789 CA LEU A 51 8.041 3.190 3.131 1.00 51.20 C ATOM 790 C LEU A 51 8.544 1.922 2.422 1.00 33.03 C ATOM 791 O LEU A 51 9.027 0.985 3.064 1.00 74.22 O ATOM 792 CB LEU A 51 6.507 3.267 3.041 1.00 31.33 C ATOM 793 CG LEU A 51 5.737 2.131 3.739 1.00 42.34 C ATOM 794 CD1 LEU A 51 5.945 2.182 5.252 1.00 10.15 C ATOM 795 CD2 LEU A 51 4.247 2.202 3.398 1.00 73.24 C ATOM 0 H LEU A 51 7.944 5.064 2.184 1.00 52.21 H new ATOM 0 HA LEU A 51 8.346 3.135 4.176 1.00 51.20 H new ATOM 0 HB2 LEU A 51 6.184 4.216 3.469 1.00 31.33 H new ATOM 0 HB3 LEU A 51 6.224 3.279 1.989 1.00 31.33 H new ATOM 0 HG LEU A 51 6.129 1.182 3.374 1.00 42.34 H new ATOM 0 HD11 LEU A 51 5.391 1.370 5.723 1.00 10.15 H new ATOM 0 HD12 LEU A 51 7.006 2.076 5.477 1.00 10.15 H new ATOM 0 HD13 LEU A 51 5.586 3.137 5.637 1.00 10.15 H new ATOM 0 HD21 LEU A 51 3.720 1.391 3.901 1.00 73.24 H new ATOM 0 HD22 LEU A 51 3.843 3.158 3.730 1.00 73.24 H new ATOM 0 HD23 LEU A 51 4.116 2.107 2.320 1.00 73.24 H new ATOM 807 N LEU A 52 8.439 1.908 1.094 1.00 13.01 N ATOM 808 CA LEU A 52 8.891 0.769 0.283 1.00 54.50 C ATOM 809 C LEU A 52 10.414 0.570 0.357 1.00 65.43 C ATOM 810 O LEU A 52 10.915 -0.546 0.203 1.00 72.23 O ATOM 811 CB LEU A 52 8.466 0.961 -1.180 1.00 14.31 C ATOM 812 CG LEU A 52 6.948 1.007 -1.419 1.00 34.12 C ATOM 813 CD1 LEU A 52 6.637 1.227 -2.899 1.00 42.31 C ATOM 814 CD2 LEU A 52 6.289 -0.274 -0.911 1.00 50.25 C ATOM 0 H LEU A 52 8.043 2.675 0.551 1.00 13.01 H new ATOM 0 HA LEU A 52 8.420 -0.125 0.692 1.00 54.50 H new ATOM 0 HB2 LEU A 52 8.904 1.888 -1.551 1.00 14.31 H new ATOM 0 HB3 LEU A 52 8.887 0.149 -1.774 1.00 14.31 H new ATOM 0 HG LEU A 52 6.538 1.849 -0.861 1.00 34.12 H new ATOM 0 HD11 LEU A 52 5.557 1.256 -3.043 1.00 42.31 H new ATOM 0 HD12 LEU A 52 7.072 2.171 -3.226 1.00 42.31 H new ATOM 0 HD13 LEU A 52 7.060 0.411 -3.485 1.00 42.31 H new ATOM 0 HD21 LEU A 52 5.215 -0.225 -1.088 1.00 50.25 H new ATOM 0 HD22 LEU A 52 6.705 -1.132 -1.440 1.00 50.25 H new ATOM 0 HD23 LEU A 52 6.476 -0.381 0.157 1.00 50.25 H new ATOM 826 N ALA A 53 11.146 1.660 0.577 1.00 60.43 N ATOM 827 CA ALA A 53 12.608 1.602 0.689 1.00 53.25 C ATOM 828 C ALA A 53 13.060 1.156 2.091 1.00 21.34 C ATOM 829 O ALA A 53 14.106 0.522 2.240 1.00 72.23 O ATOM 830 CB ALA A 53 13.215 2.953 0.338 1.00 64.21 C ATOM 0 H ALA A 53 10.754 2.596 0.682 1.00 60.43 H new ATOM 0 HA ALA A 53 12.964 0.854 -0.020 1.00 53.25 H new ATOM 0 HB1 ALA A 53 14.300 2.898 0.425 1.00 64.21 H new ATOM 0 HB2 ALA A 53 12.946 3.218 -0.684 1.00 64.21 H new ATOM 0 HB3 ALA A 53 12.834 3.712 1.022 1.00 64.21 H new ATOM 836 N ARG A 54 12.277 1.497 3.117 1.00 10.14 N ATOM 837 CA ARG A 54 12.590 1.101 4.497 1.00 72.03 C ATOM 838 C ARG A 54 12.511 -0.421 4.673 1.00 60.00 C ATOM 839 O ARG A 54 13.463 -1.053 5.132 1.00 73.12 O ATOM 840 CB ARG A 54 11.640 1.794 5.487 1.00 21.12 C ATOM 841 CG ARG A 54 11.919 3.284 5.659 1.00 54.53 C ATOM 842 CD ARG A 54 10.902 3.963 6.573 1.00 63.10 C ATOM 843 NE ARG A 54 10.877 3.378 7.915 1.00 10.23 N ATOM 844 CZ ARG A 54 11.043 4.057 9.023 1.00 31.02 C ATOM 845 NH1 ARG A 54 11.259 5.331 8.994 1.00 63.03 N ATOM 846 NH2 ARG A 54 10.986 3.453 10.163 1.00 2.32 N ATOM 0 H ARG A 54 11.422 2.046 3.021 1.00 10.14 H new ATOM 0 HA ARG A 54 13.612 1.416 4.706 1.00 72.03 H new ATOM 0 HB2 ARG A 54 10.613 1.662 5.146 1.00 21.12 H new ATOM 0 HB3 ARG A 54 11.719 1.304 6.457 1.00 21.12 H new ATOM 0 HG2 ARG A 54 12.920 3.419 6.069 1.00 54.53 H new ATOM 0 HG3 ARG A 54 11.907 3.769 4.683 1.00 54.53 H new ATOM 0 HD2 ARG A 54 11.137 5.025 6.647 1.00 63.10 H new ATOM 0 HD3 ARG A 54 9.910 3.886 6.128 1.00 63.10 H new ATOM 0 HE ARG A 54 10.720 2.373 7.993 1.00 10.23 H new ATOM 0 HH11 ARG A 54 11.302 5.821 8.100 1.00 63.03 H new ATOM 0 HH12 ARG A 54 11.386 5.847 9.865 1.00 63.03 H new ATOM 0 HH21 ARG A 54 10.812 2.449 10.200 1.00 2.32 H new ATOM 0 HH22 ARG A 54 11.115 3.980 11.027 1.00 2.32 H new ATOM 860 N TYR A 55 11.374 -1.002 4.302 1.00 33.23 N ATOM 861 CA TYR A 55 11.181 -2.451 4.405 1.00 23.31 C ATOM 862 C TYR A 55 11.799 -3.181 3.199 1.00 64.02 C ATOM 863 O TYR A 55 11.630 -2.757 2.056 1.00 63.04 O ATOM 864 CB TYR A 55 9.685 -2.774 4.525 1.00 34.35 C ATOM 865 CG TYR A 55 9.048 -2.200 5.775 1.00 52.05 C ATOM 866 CD1 TYR A 55 8.503 -0.920 5.779 1.00 5.14 C ATOM 867 CD2 TYR A 55 8.994 -2.938 6.953 1.00 0.10 C ATOM 868 CE1 TYR A 55 7.923 -0.396 6.918 1.00 4.22 C ATOM 869 CE2 TYR A 55 8.413 -2.420 8.096 1.00 5.23 C ATOM 870 CZ TYR A 55 7.880 -1.149 8.073 1.00 62.34 C ATOM 871 OH TYR A 55 7.299 -0.627 9.207 1.00 1.24 O ATOM 0 H TYR A 55 10.572 -0.496 3.928 1.00 33.23 H new ATOM 0 HA TYR A 55 11.691 -2.803 5.302 1.00 23.31 H new ATOM 0 HB2 TYR A 55 9.165 -2.386 3.649 1.00 34.35 H new ATOM 0 HB3 TYR A 55 9.552 -3.856 4.521 1.00 34.35 H new ATOM 0 HD1 TYR A 55 8.534 -0.327 4.877 1.00 5.14 H new ATOM 0 HD2 TYR A 55 9.413 -3.933 6.975 1.00 0.10 H new ATOM 0 HE1 TYR A 55 7.505 0.600 6.904 1.00 4.22 H new ATOM 0 HE2 TYR A 55 8.377 -3.008 9.001 1.00 5.23 H new ATOM 0 HH TYR A 55 7.349 -1.284 9.932 1.00 1.24 H new ATOM 881 N PRO A 56 12.522 -4.296 3.438 1.00 53.53 N ATOM 882 CA PRO A 56 13.197 -5.058 2.364 1.00 44.35 C ATOM 883 C PRO A 56 12.225 -5.886 1.496 1.00 63.12 C ATOM 884 O PRO A 56 12.451 -7.075 1.248 1.00 43.30 O ATOM 885 CB PRO A 56 14.146 -5.973 3.151 1.00 43.22 C ATOM 886 CG PRO A 56 13.458 -6.192 4.457 1.00 51.31 C ATOM 887 CD PRO A 56 12.748 -4.901 4.771 1.00 41.34 C ATOM 0 HA PRO A 56 13.693 -4.404 1.647 1.00 44.35 H new ATOM 0 HB2 PRO A 56 14.314 -6.915 2.628 1.00 43.22 H new ATOM 0 HB3 PRO A 56 15.122 -5.507 3.290 1.00 43.22 H new ATOM 0 HG2 PRO A 56 12.752 -7.020 4.393 1.00 51.31 H new ATOM 0 HG3 PRO A 56 14.175 -6.444 5.239 1.00 51.31 H new ATOM 0 HD2 PRO A 56 11.809 -5.077 5.296 1.00 41.34 H new ATOM 0 HD3 PRO A 56 13.353 -4.255 5.407 1.00 41.34 H new ATOM 895 N LEU A 57 11.166 -5.245 1.004 1.00 61.30 N ATOM 896 CA LEU A 57 10.165 -5.918 0.171 1.00 44.30 C ATOM 897 C LEU A 57 10.696 -6.157 -1.252 1.00 13.50 C ATOM 898 O LEU A 57 11.382 -5.305 -1.818 1.00 4.11 O ATOM 899 CB LEU A 57 8.877 -5.075 0.104 1.00 61.20 C ATOM 900 CG LEU A 57 8.268 -4.677 1.459 1.00 40.32 C ATOM 901 CD1 LEU A 57 7.053 -3.773 1.256 1.00 12.42 C ATOM 902 CD2 LEU A 57 7.891 -5.916 2.270 1.00 33.15 C ATOM 0 H LEU A 57 10.977 -4.256 1.168 1.00 61.30 H new ATOM 0 HA LEU A 57 9.947 -6.884 0.626 1.00 44.30 H new ATOM 0 HB2 LEU A 57 9.089 -4.166 -0.459 1.00 61.20 H new ATOM 0 HB3 LEU A 57 8.129 -5.632 -0.460 1.00 61.20 H new ATOM 0 HG LEU A 57 9.019 -4.121 2.021 1.00 40.32 H new ATOM 0 HD11 LEU A 57 6.635 -3.502 2.226 1.00 12.42 H new ATOM 0 HD12 LEU A 57 7.356 -2.870 0.726 1.00 12.42 H new ATOM 0 HD13 LEU A 57 6.300 -4.302 0.672 1.00 12.42 H new ATOM 0 HD21 LEU A 57 7.462 -5.610 3.224 1.00 33.15 H new ATOM 0 HD22 LEU A 57 7.160 -6.505 1.716 1.00 33.15 H new ATOM 0 HD23 LEU A 57 8.782 -6.519 2.449 1.00 33.15 H new ATOM 914 N THR A 58 10.386 -7.314 -1.827 1.00 23.44 N ATOM 915 CA THR A 58 10.725 -7.589 -3.231 1.00 63.24 C ATOM 916 C THR A 58 9.733 -6.885 -4.166 1.00 70.43 C ATOM 917 O THR A 58 8.608 -6.578 -3.765 1.00 62.20 O ATOM 918 CB THR A 58 10.721 -9.104 -3.546 1.00 71.04 C ATOM 919 OG1 THR A 58 9.426 -9.663 -3.277 1.00 33.21 O ATOM 920 CG2 THR A 58 11.780 -9.839 -2.731 1.00 44.51 C ATOM 0 H THR A 58 9.903 -8.077 -1.351 1.00 23.44 H new ATOM 0 HA THR A 58 11.733 -7.207 -3.394 1.00 63.24 H new ATOM 0 HB THR A 58 10.955 -9.227 -4.603 1.00 71.04 H new ATOM 0 HG1 THR A 58 8.896 -9.673 -4.101 1.00 33.21 H new ATOM 0 HG21 THR A 58 11.753 -10.901 -2.974 1.00 44.51 H new ATOM 0 HG22 THR A 58 12.765 -9.437 -2.968 1.00 44.51 H new ATOM 0 HG23 THR A 58 11.579 -9.704 -1.668 1.00 44.51 H new ATOM 928 N GLU A 59 10.145 -6.641 -5.412 1.00 40.11 N ATOM 929 CA GLU A 59 9.321 -5.896 -6.385 1.00 52.12 C ATOM 930 C GLU A 59 7.870 -6.410 -6.446 1.00 54.30 C ATOM 931 O GLU A 59 6.933 -5.629 -6.636 1.00 5.15 O ATOM 932 CB GLU A 59 9.968 -5.960 -7.776 1.00 11.31 C ATOM 933 CG GLU A 59 11.309 -5.237 -7.852 1.00 45.21 C ATOM 934 CD GLU A 59 12.022 -5.439 -9.179 1.00 31.21 C ATOM 935 OE1 GLU A 59 11.667 -4.761 -10.165 1.00 24.05 O ATOM 936 OE2 GLU A 59 12.947 -6.276 -9.242 1.00 32.22 O ATOM 0 H GLU A 59 11.046 -6.947 -5.778 1.00 40.11 H new ATOM 0 HA GLU A 59 9.277 -4.860 -6.048 1.00 52.12 H new ATOM 0 HB2 GLU A 59 10.110 -7.004 -8.055 1.00 11.31 H new ATOM 0 HB3 GLU A 59 9.286 -5.524 -8.506 1.00 11.31 H new ATOM 0 HG2 GLU A 59 11.150 -4.171 -7.691 1.00 45.21 H new ATOM 0 HG3 GLU A 59 11.951 -5.589 -7.044 1.00 45.21 H new ATOM 943 N SER A 60 7.689 -7.717 -6.269 1.00 25.30 N ATOM 944 CA SER A 60 6.346 -8.318 -6.214 1.00 1.32 C ATOM 945 C SER A 60 5.522 -7.744 -5.050 1.00 3.34 C ATOM 946 O SER A 60 4.342 -7.418 -5.206 1.00 33.20 O ATOM 947 CB SER A 60 6.450 -9.841 -6.064 1.00 44.41 C ATOM 948 OG SER A 60 7.160 -10.198 -4.884 1.00 54.40 O ATOM 0 H SER A 60 8.452 -8.385 -6.161 1.00 25.30 H new ATOM 0 HA SER A 60 5.839 -8.077 -7.148 1.00 1.32 H new ATOM 0 HB2 SER A 60 5.450 -10.275 -6.034 1.00 44.41 H new ATOM 0 HB3 SER A 60 6.954 -10.261 -6.935 1.00 44.41 H new ATOM 0 HG SER A 60 7.209 -11.174 -4.814 1.00 54.40 H new ATOM 954 N GLN A 61 6.155 -7.617 -3.884 1.00 12.12 N ATOM 955 CA GLN A 61 5.500 -7.046 -2.701 1.00 51.51 C ATOM 956 C GLN A 61 5.196 -5.552 -2.901 1.00 24.02 C ATOM 957 O GLN A 61 4.110 -5.082 -2.553 1.00 4.02 O ATOM 958 CB GLN A 61 6.372 -7.255 -1.454 1.00 25.13 C ATOM 959 CG GLN A 61 6.659 -8.723 -1.150 1.00 54.31 C ATOM 960 CD GLN A 61 7.542 -8.908 0.072 1.00 11.00 C ATOM 961 OE1 GLN A 61 8.763 -8.930 -0.030 1.00 10.33 O ATOM 962 NE2 GLN A 61 6.939 -9.063 1.234 1.00 31.11 N ATOM 0 H GLN A 61 7.122 -7.902 -3.730 1.00 12.12 H new ATOM 0 HA GLN A 61 4.552 -7.565 -2.557 1.00 51.51 H new ATOM 0 HB2 GLN A 61 7.317 -6.729 -1.589 1.00 25.13 H new ATOM 0 HB3 GLN A 61 5.876 -6.804 -0.594 1.00 25.13 H new ATOM 0 HG2 GLN A 61 5.717 -9.248 -0.995 1.00 54.31 H new ATOM 0 HG3 GLN A 61 7.141 -9.181 -2.014 1.00 54.31 H new ATOM 0 HE21 GLN A 61 5.921 -9.040 1.287 1.00 31.11 H new ATOM 0 HE22 GLN A 61 7.491 -9.206 2.080 1.00 31.11 H new ATOM 971 N LEU A 62 6.150 -4.806 -3.471 1.00 34.40 N ATOM 972 CA LEU A 62 5.918 -3.390 -3.799 1.00 71.34 C ATOM 973 C LEU A 62 4.736 -3.239 -4.767 1.00 12.21 C ATOM 974 O LEU A 62 3.898 -2.353 -4.600 1.00 20.20 O ATOM 975 CB LEU A 62 7.168 -2.728 -4.414 1.00 10.42 C ATOM 976 CG LEU A 62 8.336 -2.451 -3.444 1.00 75.32 C ATOM 977 CD1 LEU A 62 9.072 -3.728 -3.086 1.00 54.24 C ATOM 978 CD2 LEU A 62 9.300 -1.421 -4.036 1.00 32.11 C ATOM 0 H LEU A 62 7.079 -5.151 -3.713 1.00 34.40 H new ATOM 0 HA LEU A 62 5.688 -2.885 -2.861 1.00 71.34 H new ATOM 0 HB2 LEU A 62 7.534 -3.366 -5.218 1.00 10.42 H new ATOM 0 HB3 LEU A 62 6.868 -1.784 -4.868 1.00 10.42 H new ATOM 0 HG LEU A 62 7.914 -2.041 -2.526 1.00 75.32 H new ATOM 0 HD11 LEU A 62 9.888 -3.498 -2.402 1.00 54.24 H new ATOM 0 HD12 LEU A 62 8.382 -4.423 -2.607 1.00 54.24 H new ATOM 0 HD13 LEU A 62 9.475 -4.182 -3.991 1.00 54.24 H new ATOM 0 HD21 LEU A 62 10.115 -1.241 -3.335 1.00 32.11 H new ATOM 0 HD22 LEU A 62 9.705 -1.799 -4.975 1.00 32.11 H new ATOM 0 HD23 LEU A 62 8.767 -0.488 -4.220 1.00 32.11 H new ATOM 990 N ALA A 63 4.673 -4.114 -5.773 1.00 31.44 N ATOM 991 CA ALA A 63 3.576 -4.105 -6.748 1.00 34.01 C ATOM 992 C ALA A 63 2.206 -4.198 -6.059 1.00 33.43 C ATOM 993 O ALA A 63 1.232 -3.580 -6.499 1.00 24.24 O ATOM 994 CB ALA A 63 3.747 -5.245 -7.747 1.00 23.31 C ATOM 0 H ALA A 63 5.370 -4.841 -5.935 1.00 31.44 H new ATOM 0 HA ALA A 63 3.614 -3.156 -7.282 1.00 34.01 H new ATOM 0 HB1 ALA A 63 2.926 -5.226 -8.464 1.00 23.31 H new ATOM 0 HB2 ALA A 63 4.693 -5.127 -8.275 1.00 23.31 H new ATOM 0 HB3 ALA A 63 3.744 -6.197 -7.217 1.00 23.31 H new ATOM 1000 N LEU A 64 2.138 -4.969 -4.974 1.00 53.31 N ATOM 1001 CA LEU A 64 0.914 -5.062 -4.173 1.00 13.24 C ATOM 1002 C LEU A 64 0.639 -3.747 -3.426 1.00 13.44 C ATOM 1003 O LEU A 64 -0.455 -3.195 -3.513 1.00 72.32 O ATOM 1004 CB LEU A 64 1.009 -6.219 -3.167 1.00 62.51 C ATOM 1005 CG LEU A 64 -0.221 -6.399 -2.258 1.00 63.33 C ATOM 1006 CD1 LEU A 64 -1.463 -6.750 -3.078 1.00 31.13 C ATOM 1007 CD2 LEU A 64 0.040 -7.461 -1.196 1.00 22.33 C ATOM 0 H LEU A 64 2.912 -5.537 -4.629 1.00 53.31 H new ATOM 0 HA LEU A 64 0.087 -5.253 -4.857 1.00 13.24 H new ATOM 0 HB2 LEU A 64 1.173 -7.145 -3.717 1.00 62.51 H new ATOM 0 HB3 LEU A 64 1.886 -6.062 -2.539 1.00 62.51 H new ATOM 0 HG LEU A 64 -0.406 -5.450 -1.754 1.00 63.33 H new ATOM 0 HD11 LEU A 64 -2.317 -6.871 -2.411 1.00 31.13 H new ATOM 0 HD12 LEU A 64 -1.668 -5.949 -3.788 1.00 31.13 H new ATOM 0 HD13 LEU A 64 -1.290 -7.680 -3.620 1.00 31.13 H new ATOM 0 HD21 LEU A 64 -0.843 -7.570 -0.566 1.00 22.33 H new ATOM 0 HD22 LEU A 64 0.261 -8.413 -1.680 1.00 22.33 H new ATOM 0 HD23 LEU A 64 0.889 -7.160 -0.582 1.00 22.33 H new ATOM 1019 N VAL A 65 1.645 -3.252 -2.702 1.00 0.43 N ATOM 1020 CA VAL A 65 1.511 -2.009 -1.924 1.00 22.02 C ATOM 1021 C VAL A 65 1.047 -0.831 -2.803 1.00 43.12 C ATOM 1022 O VAL A 65 0.161 -0.064 -2.419 1.00 21.15 O ATOM 1023 CB VAL A 65 2.850 -1.643 -1.231 1.00 32.35 C ATOM 1024 CG1 VAL A 65 2.709 -0.374 -0.394 1.00 72.21 C ATOM 1025 CG2 VAL A 65 3.348 -2.808 -0.373 1.00 3.25 C ATOM 0 H VAL A 65 2.564 -3.690 -2.635 1.00 0.43 H new ATOM 0 HA VAL A 65 0.750 -2.191 -1.165 1.00 22.02 H new ATOM 0 HB VAL A 65 3.589 -1.448 -2.008 1.00 32.35 H new ATOM 0 HG11 VAL A 65 3.663 -0.143 0.079 1.00 72.21 H new ATOM 0 HG12 VAL A 65 2.412 0.455 -1.037 1.00 72.21 H new ATOM 0 HG13 VAL A 65 1.951 -0.527 0.374 1.00 72.21 H new ATOM 0 HG21 VAL A 65 4.288 -2.532 0.105 1.00 3.25 H new ATOM 0 HG22 VAL A 65 2.607 -3.040 0.392 1.00 3.25 H new ATOM 0 HG23 VAL A 65 3.505 -3.683 -1.003 1.00 3.25 H new ATOM 1035 N ARG A 66 1.652 -0.702 -3.985 1.00 13.22 N ATOM 1036 CA ARG A 66 1.253 0.325 -4.960 1.00 13.04 C ATOM 1037 C ARG A 66 -0.235 0.191 -5.323 1.00 33.45 C ATOM 1038 O ARG A 66 -0.961 1.185 -5.417 1.00 0.34 O ATOM 1039 CB ARG A 66 2.116 0.206 -6.227 1.00 13.11 C ATOM 1040 CG ARG A 66 3.617 0.331 -5.963 1.00 51.34 C ATOM 1041 CD ARG A 66 4.446 -0.061 -7.184 1.00 32.32 C ATOM 1042 NE ARG A 66 4.308 0.894 -8.283 1.00 72.21 N ATOM 1043 CZ ARG A 66 3.854 0.599 -9.473 1.00 35.22 C ATOM 1044 NH1 ARG A 66 3.425 -0.591 -9.745 1.00 1.01 N ATOM 1045 NH2 ARG A 66 3.818 1.502 -10.394 1.00 32.31 N ATOM 0 H ARG A 66 2.422 -1.295 -4.294 1.00 13.22 H new ATOM 0 HA ARG A 66 1.407 1.305 -4.508 1.00 13.04 H new ATOM 0 HB2 ARG A 66 1.918 -0.755 -6.701 1.00 13.11 H new ATOM 0 HB3 ARG A 66 1.815 0.979 -6.935 1.00 13.11 H new ATOM 0 HG2 ARG A 66 3.851 1.357 -5.680 1.00 51.34 H new ATOM 0 HG3 ARG A 66 3.891 -0.303 -5.120 1.00 51.34 H new ATOM 0 HD2 ARG A 66 5.496 -0.133 -6.899 1.00 32.32 H new ATOM 0 HD3 ARG A 66 4.140 -1.050 -7.525 1.00 32.32 H new ATOM 0 HE ARG A 66 4.586 1.860 -8.109 1.00 72.21 H new ATOM 0 HH11 ARG A 66 3.438 -1.315 -9.026 1.00 1.01 H new ATOM 0 HH12 ARG A 66 3.074 -0.806 -10.678 1.00 1.01 H new ATOM 0 HH21 ARG A 66 4.144 2.448 -10.194 1.00 32.31 H new ATOM 0 HH22 ARG A 66 3.464 1.270 -11.322 1.00 32.31 H new ATOM 1059 N ASP A 67 -0.680 -1.051 -5.513 1.00 21.33 N ATOM 1060 CA ASP A 67 -2.082 -1.337 -5.819 1.00 72.24 C ATOM 1061 C ASP A 67 -2.986 -0.985 -4.625 1.00 4.21 C ATOM 1062 O ASP A 67 -4.064 -0.422 -4.799 1.00 75.23 O ATOM 1063 CB ASP A 67 -2.241 -2.813 -6.189 1.00 13.52 C ATOM 1064 CG ASP A 67 -3.638 -3.153 -6.686 1.00 11.34 C ATOM 1065 OD1 ASP A 67 -3.934 -2.881 -7.868 1.00 31.14 O ATOM 1066 OD2 ASP A 67 -4.437 -3.713 -5.904 1.00 64.00 O ATOM 0 H ASP A 67 -0.087 -1.879 -5.460 1.00 21.33 H new ATOM 0 HA ASP A 67 -2.386 -0.721 -6.666 1.00 72.24 H new ATOM 0 HB2 ASP A 67 -1.514 -3.069 -6.960 1.00 13.52 H new ATOM 0 HB3 ASP A 67 -2.011 -3.427 -5.318 1.00 13.52 H new ATOM 1071 N ILE A 68 -2.530 -1.317 -3.416 1.00 5.33 N ATOM 1072 CA ILE A 68 -3.268 -1.003 -2.184 1.00 32.44 C ATOM 1073 C ILE A 68 -3.561 0.500 -2.072 1.00 32.51 C ATOM 1074 O ILE A 68 -4.672 0.905 -1.717 1.00 33.23 O ATOM 1075 CB ILE A 68 -2.485 -1.469 -0.930 1.00 21.42 C ATOM 1076 CG1 ILE A 68 -2.326 -3.001 -0.937 1.00 72.30 C ATOM 1077 CG2 ILE A 68 -3.184 -1.000 0.346 1.00 43.42 C ATOM 1078 CD1 ILE A 68 -1.496 -3.541 0.213 1.00 31.14 C ATOM 0 H ILE A 68 -1.649 -1.806 -3.260 1.00 5.33 H new ATOM 0 HA ILE A 68 -4.214 -1.542 -2.235 1.00 32.44 H new ATOM 0 HB ILE A 68 -1.492 -1.021 -0.955 1.00 21.42 H new ATOM 0 HG12 ILE A 68 -3.315 -3.459 -0.904 1.00 72.30 H new ATOM 0 HG13 ILE A 68 -1.866 -3.304 -1.877 1.00 72.30 H new ATOM 0 HG21 ILE A 68 -2.619 -1.337 1.215 1.00 43.42 H new ATOM 0 HG22 ILE A 68 -3.242 0.088 0.350 1.00 43.42 H new ATOM 0 HG23 ILE A 68 -4.191 -1.417 0.384 1.00 43.42 H new ATOM 0 HD11 ILE A 68 -1.431 -4.626 0.137 1.00 31.14 H new ATOM 0 HD12 ILE A 68 -0.494 -3.114 0.171 1.00 31.14 H new ATOM 0 HD13 ILE A 68 -1.966 -3.271 1.159 1.00 31.14 H new ATOM 1090 N ARG A 69 -2.561 1.322 -2.383 1.00 31.23 N ATOM 1091 CA ARG A 69 -2.733 2.776 -2.387 1.00 52.41 C ATOM 1092 C ARG A 69 -3.851 3.193 -3.365 1.00 52.32 C ATOM 1093 O ARG A 69 -4.653 4.079 -3.068 1.00 12.14 O ATOM 1094 CB ARG A 69 -1.394 3.461 -2.729 1.00 53.21 C ATOM 1095 CG ARG A 69 -1.457 4.992 -2.795 1.00 1.41 C ATOM 1096 CD ARG A 69 -1.652 5.500 -4.223 1.00 4.33 C ATOM 1097 NE ARG A 69 -0.474 5.257 -5.055 1.00 21.04 N ATOM 1098 CZ ARG A 69 -0.498 4.684 -6.228 1.00 4.21 C ATOM 1099 NH1 ARG A 69 -1.617 4.294 -6.751 1.00 63.33 N ATOM 1100 NH2 ARG A 69 0.601 4.525 -6.886 1.00 13.34 N ATOM 0 H ARG A 69 -1.624 1.008 -2.635 1.00 31.23 H new ATOM 0 HA ARG A 69 -3.037 3.101 -1.392 1.00 52.41 H new ATOM 0 HB2 ARG A 69 -0.653 3.173 -1.983 1.00 53.21 H new ATOM 0 HB3 ARG A 69 -1.043 3.083 -3.689 1.00 53.21 H new ATOM 0 HG2 ARG A 69 -2.276 5.348 -2.170 1.00 1.41 H new ATOM 0 HG3 ARG A 69 -0.538 5.410 -2.385 1.00 1.41 H new ATOM 0 HD2 ARG A 69 -2.518 5.009 -4.668 1.00 4.33 H new ATOM 0 HD3 ARG A 69 -1.867 6.568 -4.202 1.00 4.33 H new ATOM 0 HE ARG A 69 0.431 5.557 -4.693 1.00 21.04 H new ATOM 0 HH11 ARG A 69 -2.492 4.433 -6.246 1.00 63.33 H new ATOM 0 HH12 ARG A 69 -1.623 3.848 -7.668 1.00 63.33 H new ATOM 0 HH21 ARG A 69 1.484 4.846 -6.489 1.00 13.34 H new ATOM 0 HH22 ARG A 69 0.586 4.078 -7.803 1.00 13.34 H new ATOM 1114 N ARG A 70 -3.899 2.539 -4.529 1.00 32.10 N ATOM 1115 CA ARG A 70 -4.985 2.749 -5.501 1.00 42.43 C ATOM 1116 C ARG A 70 -6.333 2.256 -4.940 1.00 22.25 C ATOM 1117 O ARG A 70 -7.360 2.914 -5.100 1.00 3.42 O ATOM 1118 CB ARG A 70 -4.657 2.025 -6.822 1.00 24.12 C ATOM 1119 CG ARG A 70 -5.817 1.946 -7.820 1.00 43.22 C ATOM 1120 CD ARG A 70 -6.304 3.321 -8.276 1.00 4.31 C ATOM 1121 NE ARG A 70 -7.381 3.208 -9.257 1.00 51.10 N ATOM 1122 CZ ARG A 70 -8.075 4.215 -9.718 1.00 11.44 C ATOM 1123 NH1 ARG A 70 -7.852 5.424 -9.308 1.00 32.55 N ATOM 1124 NH2 ARG A 70 -8.999 4.008 -10.597 1.00 21.32 N ATOM 0 H ARG A 70 -3.199 1.858 -4.825 1.00 32.10 H new ATOM 0 HA ARG A 70 -5.072 3.818 -5.693 1.00 42.43 H new ATOM 0 HB2 ARG A 70 -3.820 2.534 -7.300 1.00 24.12 H new ATOM 0 HB3 ARG A 70 -4.325 1.013 -6.592 1.00 24.12 H new ATOM 0 HG2 ARG A 70 -5.502 1.371 -8.691 1.00 43.22 H new ATOM 0 HG3 ARG A 70 -6.646 1.405 -7.364 1.00 43.22 H new ATOM 0 HD2 ARG A 70 -6.654 3.889 -7.414 1.00 4.31 H new ATOM 0 HD3 ARG A 70 -5.473 3.878 -8.709 1.00 4.31 H new ATOM 0 HE ARG A 70 -7.607 2.277 -9.607 1.00 51.10 H new ATOM 0 HH11 ARG A 70 -7.125 5.602 -8.615 1.00 32.55 H new ATOM 0 HH12 ARG A 70 -8.403 6.198 -9.679 1.00 32.55 H new ATOM 0 HH21 ARG A 70 -9.185 3.061 -10.929 1.00 21.32 H new ATOM 0 HH22 ARG A 70 -9.543 4.791 -10.959 1.00 21.32 H new ATOM 1138 N ARG A 71 -6.310 1.097 -4.280 1.00 32.22 N ATOM 1139 CA ARG A 71 -7.511 0.498 -3.676 1.00 14.14 C ATOM 1140 C ARG A 71 -8.240 1.482 -2.745 1.00 70.42 C ATOM 1141 O ARG A 71 -9.450 1.685 -2.857 1.00 22.04 O ATOM 1142 CB ARG A 71 -7.121 -0.762 -2.887 1.00 13.43 C ATOM 1143 CG ARG A 71 -6.633 -1.919 -3.756 1.00 61.53 C ATOM 1144 CD ARG A 71 -7.783 -2.590 -4.498 1.00 42.20 C ATOM 1145 NE ARG A 71 -8.776 -3.123 -3.567 1.00 41.34 N ATOM 1146 CZ ARG A 71 -10.028 -3.332 -3.862 1.00 61.14 C ATOM 1147 NH1 ARG A 71 -10.475 -3.113 -5.057 1.00 33.04 N ATOM 1148 NH2 ARG A 71 -10.831 -3.777 -2.953 1.00 34.44 N ATOM 0 H ARG A 71 -5.463 0.545 -4.147 1.00 32.22 H new ATOM 0 HA ARG A 71 -8.193 0.239 -4.486 1.00 14.14 H new ATOM 0 HB2 ARG A 71 -6.338 -0.503 -2.174 1.00 13.43 H new ATOM 0 HB3 ARG A 71 -7.982 -1.095 -2.308 1.00 13.43 H new ATOM 0 HG2 ARG A 71 -5.901 -1.551 -4.475 1.00 61.53 H new ATOM 0 HG3 ARG A 71 -6.124 -2.654 -3.132 1.00 61.53 H new ATOM 0 HD2 ARG A 71 -8.257 -1.871 -5.166 1.00 42.20 H new ATOM 0 HD3 ARG A 71 -7.396 -3.396 -5.121 1.00 42.20 H new ATOM 0 HE ARG A 71 -8.468 -3.347 -2.621 1.00 41.34 H new ATOM 0 HH11 ARG A 71 -9.845 -2.772 -5.783 1.00 33.04 H new ATOM 0 HH12 ARG A 71 -11.458 -3.281 -5.273 1.00 33.04 H new ATOM 0 HH21 ARG A 71 -10.484 -3.962 -2.012 1.00 34.44 H new ATOM 0 HH22 ARG A 71 -11.812 -3.943 -3.176 1.00 34.44 H new ATOM 1162 N GLY A 72 -7.496 2.079 -1.821 1.00 32.43 N ATOM 1163 CA GLY A 72 -8.078 3.035 -0.887 1.00 11.55 C ATOM 1164 C GLY A 72 -8.367 4.399 -1.511 1.00 63.14 C ATOM 1165 O GLY A 72 -9.433 4.977 -1.289 1.00 31.51 O ATOM 0 H GLY A 72 -6.496 1.920 -1.699 1.00 32.43 H new ATOM 0 HA2 GLY A 72 -9.005 2.623 -0.489 1.00 11.55 H new ATOM 0 HA3 GLY A 72 -7.399 3.166 -0.044 1.00 11.55 H new ATOM 1169 N LYS A 73 -7.418 4.921 -2.291 1.00 14.43 N ATOM 1170 CA LYS A 73 -7.588 6.233 -2.931 1.00 11.00 C ATOM 1171 C LYS A 73 -8.763 6.222 -3.921 1.00 62.45 C ATOM 1172 O LYS A 73 -9.337 7.266 -4.229 1.00 13.55 O ATOM 1173 CB LYS A 73 -6.295 6.662 -3.639 1.00 62.30 C ATOM 1174 CG LYS A 73 -6.313 8.110 -4.136 1.00 52.34 C ATOM 1175 CD LYS A 73 -4.991 8.514 -4.794 1.00 31.22 C ATOM 1176 CE LYS A 73 -3.819 8.440 -3.819 1.00 43.40 C ATOM 1177 NZ LYS A 73 -3.935 9.431 -2.715 1.00 31.12 N ATOM 0 H LYS A 73 -6.530 4.462 -2.495 1.00 14.43 H new ATOM 0 HA LYS A 73 -7.814 6.958 -2.149 1.00 11.00 H new ATOM 0 HB2 LYS A 73 -5.457 6.533 -2.954 1.00 62.30 H new ATOM 0 HB3 LYS A 73 -6.119 5.999 -4.486 1.00 62.30 H new ATOM 0 HG2 LYS A 73 -7.126 8.236 -4.851 1.00 52.34 H new ATOM 0 HG3 LYS A 73 -6.518 8.777 -3.299 1.00 52.34 H new ATOM 0 HD2 LYS A 73 -4.796 7.862 -5.645 1.00 31.22 H new ATOM 0 HD3 LYS A 73 -5.075 9.529 -5.183 1.00 31.22 H new ATOM 0 HE2 LYS A 73 -3.763 7.436 -3.398 1.00 43.40 H new ATOM 0 HE3 LYS A 73 -2.888 8.611 -4.360 1.00 43.40 H new ATOM 0 HZ1 LYS A 73 -3.069 9.412 -2.139 1.00 31.12 H new ATOM 0 HZ2 LYS A 73 -4.064 10.382 -3.115 1.00 31.12 H new ATOM 0 HZ3 LYS A 73 -4.753 9.192 -2.119 1.00 31.12 H new