USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 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 180:sc= -1.53! USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0596 K(o=-1.6,f=-7.2!) USER MOD Single : A 31 MET CE :methyl -141:sc= -0.198 (180deg=-0.864) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -2.39! (180deg=-4.24!) USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.658 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.181 F(o=-2.8!,f=-0.18) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.708 F(o=-1.3,f=-0.71) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0951) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.623 -6.712 1.016 1.00 3.44 N ATOM 350 CA ASP A 24 -7.412 -5.905 0.857 1.00 3.42 C ATOM 351 C ASP A 24 -6.325 -6.306 1.877 1.00 74.22 C ATOM 352 O ASP A 24 -5.211 -6.681 1.496 1.00 64.40 O ATOM 353 CB ASP A 24 -7.788 -4.425 1.004 1.00 25.23 C ATOM 354 CG ASP A 24 -6.584 -3.515 1.164 1.00 43.51 C ATOM 355 OD1 ASP A 24 -5.819 -3.366 0.193 1.00 41.20 O ATOM 356 OD2 ASP A 24 -6.408 -2.948 2.263 1.00 62.30 O ATOM 0 HA ASP A 24 -6.991 -6.081 -0.133 1.00 3.42 H new ATOM 0 HB2 ASP A 24 -8.357 -4.113 0.129 1.00 25.23 H new ATOM 0 HB3 ASP A 24 -8.442 -4.307 1.868 1.00 25.23 H new ATOM 361 N GLU A 25 -6.659 -6.238 3.168 1.00 43.14 N ATOM 362 CA GLU A 25 -5.724 -6.612 4.243 1.00 74.44 C ATOM 363 C GLU A 25 -5.187 -8.047 4.070 1.00 43.33 C ATOM 364 O GLU A 25 -3.998 -8.307 4.269 1.00 73.45 O ATOM 365 CB GLU A 25 -6.407 -6.493 5.615 1.00 55.41 C ATOM 366 CG GLU A 25 -6.912 -5.092 5.949 1.00 4.54 C ATOM 367 CD GLU A 25 -7.543 -5.020 7.332 1.00 62.32 C ATOM 368 OE1 GLU A 25 -8.703 -5.462 7.485 1.00 12.25 O ATOM 369 OE2 GLU A 25 -6.872 -4.549 8.277 1.00 33.44 O ATOM 0 H GLU A 25 -7.572 -5.927 3.500 1.00 43.14 H new ATOM 0 HA GLU A 25 -4.882 -5.922 4.185 1.00 74.44 H new ATOM 0 HB2 GLU A 25 -7.247 -7.187 5.650 1.00 55.41 H new ATOM 0 HB3 GLU A 25 -5.703 -6.806 6.386 1.00 55.41 H new ATOM 0 HG2 GLU A 25 -6.083 -4.386 5.893 1.00 4.54 H new ATOM 0 HG3 GLU A 25 -7.643 -4.784 5.202 1.00 4.54 H new ATOM 376 N ARG A 26 -6.066 -8.972 3.691 1.00 41.11 N ATOM 377 CA ARG A 26 -5.688 -10.384 3.549 1.00 5.03 C ATOM 378 C ARG A 26 -4.641 -10.580 2.442 1.00 25.22 C ATOM 379 O ARG A 26 -3.746 -11.412 2.567 1.00 63.40 O ATOM 380 CB ARG A 26 -6.925 -11.257 3.295 1.00 31.15 C ATOM 381 CG ARG A 26 -7.963 -11.182 4.417 1.00 30.20 C ATOM 382 CD ARG A 26 -9.014 -12.280 4.292 1.00 2.32 C ATOM 383 NE ARG A 26 -8.437 -13.607 4.495 1.00 50.23 N ATOM 384 CZ ARG A 26 -8.878 -14.697 3.929 1.00 14.00 C ATOM 385 NH1 ARG A 26 -9.887 -14.663 3.117 1.00 53.21 N ATOM 386 NH2 ARG A 26 -8.303 -15.830 4.174 1.00 42.42 N ATOM 0 H ARG A 26 -7.043 -8.774 3.476 1.00 41.11 H new ATOM 0 HA ARG A 26 -5.234 -10.700 4.488 1.00 5.03 H new ATOM 0 HB2 ARG A 26 -7.391 -10.950 2.358 1.00 31.15 H new ATOM 0 HB3 ARG A 26 -6.610 -12.293 3.170 1.00 31.15 H new ATOM 0 HG2 ARG A 26 -7.462 -11.267 5.381 1.00 30.20 H new ATOM 0 HG3 ARG A 26 -8.451 -10.208 4.396 1.00 30.20 H new ATOM 0 HD2 ARG A 26 -9.805 -12.111 5.023 1.00 2.32 H new ATOM 0 HD3 ARG A 26 -9.476 -12.231 3.306 1.00 2.32 H new ATOM 0 HE ARG A 26 -7.636 -13.687 5.121 1.00 50.23 H new ATOM 0 HH11 ARG A 26 -10.348 -13.776 2.913 1.00 53.21 H new ATOM 0 HH12 ARG A 26 -10.221 -15.523 2.682 1.00 53.21 H new ATOM 0 HH21 ARG A 26 -7.506 -15.871 4.809 1.00 42.42 H new ATOM 0 HH22 ARG A 26 -8.647 -16.683 3.732 1.00 42.42 H new ATOM 400 N ARG A 27 -4.742 -9.796 1.369 1.00 64.40 N ATOM 401 CA ARG A 27 -3.718 -9.809 0.317 1.00 53.25 C ATOM 402 C ARG A 27 -2.361 -9.346 0.872 1.00 71.41 C ATOM 403 O ARG A 27 -1.308 -9.860 0.489 1.00 52.32 O ATOM 404 CB ARG A 27 -4.138 -8.918 -0.862 1.00 1.31 C ATOM 405 CG ARG A 27 -5.344 -9.439 -1.640 1.00 0.24 C ATOM 406 CD ARG A 27 -5.075 -10.816 -2.241 1.00 75.42 C ATOM 407 NE ARG A 27 -6.187 -11.283 -3.069 1.00 0.50 N ATOM 408 CZ ARG A 27 -6.253 -12.470 -3.613 1.00 22.13 C ATOM 409 NH1 ARG A 27 -5.297 -13.325 -3.447 1.00 43.34 N ATOM 410 NH2 ARG A 27 -7.275 -12.797 -4.334 1.00 53.54 N ATOM 0 H ARG A 27 -5.513 -9.149 1.203 1.00 64.40 H new ATOM 0 HA ARG A 27 -3.616 -10.834 -0.040 1.00 53.25 H new ATOM 0 HB2 ARG A 27 -4.365 -7.920 -0.486 1.00 1.31 H new ATOM 0 HB3 ARG A 27 -3.295 -8.817 -1.545 1.00 1.31 H new ATOM 0 HG2 ARG A 27 -6.208 -9.493 -0.978 1.00 0.24 H new ATOM 0 HG3 ARG A 27 -5.595 -8.737 -2.435 1.00 0.24 H new ATOM 0 HD2 ARG A 27 -4.167 -10.777 -2.843 1.00 75.42 H new ATOM 0 HD3 ARG A 27 -4.895 -11.532 -1.439 1.00 75.42 H new ATOM 0 HE ARG A 27 -6.962 -10.640 -3.233 1.00 0.50 H new ATOM 0 HH11 ARG A 27 -4.482 -13.076 -2.887 1.00 43.34 H new ATOM 0 HH12 ARG A 27 -5.359 -14.248 -3.876 1.00 43.34 H new ATOM 0 HH21 ARG A 27 -8.032 -12.128 -4.479 1.00 53.54 H new ATOM 0 HH22 ARG A 27 -7.325 -13.724 -4.758 1.00 53.54 H new ATOM 424 N ALA A 28 -2.398 -8.380 1.788 1.00 71.24 N ATOM 425 CA ALA A 28 -1.183 -7.872 2.426 1.00 51.40 C ATOM 426 C ALA A 28 -0.498 -8.948 3.286 1.00 0.22 C ATOM 427 O ALA A 28 0.691 -9.219 3.128 1.00 74.34 O ATOM 428 CB ALA A 28 -1.508 -6.647 3.272 1.00 0.40 C ATOM 0 H ALA A 28 -3.257 -7.932 2.106 1.00 71.24 H new ATOM 0 HA ALA A 28 -0.487 -7.590 1.637 1.00 51.40 H new ATOM 0 HB1 ALA A 28 -0.597 -6.277 3.742 1.00 0.40 H new ATOM 0 HB2 ALA A 28 -1.931 -5.868 2.637 1.00 0.40 H new ATOM 0 HB3 ALA A 28 -2.230 -6.918 4.043 1.00 0.40 H new ATOM 434 N LEU A 29 -1.254 -9.560 4.200 1.00 62.43 N ATOM 435 CA LEU A 29 -0.700 -10.595 5.087 1.00 53.31 C ATOM 436 C LEU A 29 -0.370 -11.894 4.324 1.00 33.52 C ATOM 437 O LEU A 29 0.477 -12.677 4.757 1.00 53.44 O ATOM 438 CB LEU A 29 -1.654 -10.858 6.271 1.00 14.13 C ATOM 439 CG LEU A 29 -3.104 -11.253 5.917 1.00 33.24 C ATOM 440 CD1 LEU A 29 -3.217 -12.742 5.590 1.00 61.42 C ATOM 441 CD2 LEU A 29 -4.058 -10.870 7.049 1.00 53.52 C ATOM 0 H LEU A 29 -2.244 -9.362 4.348 1.00 62.43 H new ATOM 0 HA LEU A 29 0.243 -10.221 5.486 1.00 53.31 H new ATOM 0 HB2 LEU A 29 -1.225 -11.651 6.884 1.00 14.13 H new ATOM 0 HB3 LEU A 29 -1.687 -9.960 6.888 1.00 14.13 H new ATOM 0 HG LEU A 29 -3.390 -10.699 5.023 1.00 33.24 H new ATOM 0 HD11 LEU A 29 -4.251 -12.983 5.346 1.00 61.42 H new ATOM 0 HD12 LEU A 29 -2.579 -12.977 4.738 1.00 61.42 H new ATOM 0 HD13 LEU A 29 -2.901 -13.329 6.453 1.00 61.42 H new ATOM 0 HD21 LEU A 29 -5.075 -11.157 6.780 1.00 53.52 H new ATOM 0 HD22 LEU A 29 -3.765 -11.387 7.963 1.00 53.52 H new ATOM 0 HD23 LEU A 29 -4.016 -9.793 7.212 1.00 53.52 H new ATOM 453 N ALA A 30 -1.036 -12.113 3.190 1.00 5.14 N ATOM 454 CA ALA A 30 -0.717 -13.245 2.309 1.00 14.30 C ATOM 455 C ALA A 30 0.695 -13.102 1.722 1.00 11.45 C ATOM 456 O ALA A 30 1.435 -14.081 1.594 1.00 11.42 O ATOM 457 CB ALA A 30 -1.750 -13.358 1.192 1.00 50.44 C ATOM 0 H ALA A 30 -1.799 -11.524 2.857 1.00 5.14 H new ATOM 0 HA ALA A 30 -0.746 -14.158 2.904 1.00 14.30 H new ATOM 0 HB1 ALA A 30 -1.499 -14.201 0.548 1.00 50.44 H new ATOM 0 HB2 ALA A 30 -2.738 -13.513 1.625 1.00 50.44 H new ATOM 0 HB3 ALA A 30 -1.752 -12.440 0.604 1.00 50.44 H new ATOM 463 N MET A 31 1.058 -11.869 1.372 1.00 62.14 N ATOM 464 CA MET A 31 2.400 -11.559 0.863 1.00 21.55 C ATOM 465 C MET A 31 3.323 -11.049 1.984 1.00 73.10 C ATOM 466 O MET A 31 4.438 -10.600 1.723 1.00 42.02 O ATOM 467 CB MET A 31 2.299 -10.513 -0.255 1.00 74.33 C ATOM 468 CG MET A 31 1.571 -11.010 -1.497 1.00 70.41 C ATOM 469 SD MET A 31 2.464 -12.330 -2.338 1.00 33.24 S ATOM 470 CE MET A 31 3.982 -11.480 -2.785 1.00 72.25 C ATOM 0 H MET A 31 0.439 -11.061 1.431 1.00 62.14 H new ATOM 0 HA MET A 31 2.835 -12.477 0.467 1.00 21.55 H new ATOM 0 HB2 MET A 31 1.784 -9.633 0.129 1.00 74.33 H new ATOM 0 HB3 MET A 31 3.304 -10.197 -0.536 1.00 74.33 H new ATOM 0 HG2 MET A 31 0.581 -11.368 -1.215 1.00 70.41 H new ATOM 0 HG3 MET A 31 1.425 -10.178 -2.186 1.00 70.41 H new ATOM 0 HE1 MET A 31 4.298 -11.797 -3.779 1.00 72.25 H new ATOM 0 HE2 MET A 31 3.810 -10.404 -2.785 1.00 72.25 H new ATOM 0 HE3 MET A 31 4.761 -11.723 -2.062 1.00 72.25 H new ATOM 480 N LYS A 32 2.843 -11.128 3.228 1.00 32.21 N ATOM 481 CA LYS A 32 3.611 -10.705 4.411 1.00 12.22 C ATOM 482 C LYS A 32 4.071 -9.236 4.326 1.00 73.15 C ATOM 483 O LYS A 32 5.260 -8.946 4.158 1.00 4.21 O ATOM 484 CB LYS A 32 4.817 -11.633 4.634 1.00 31.21 C ATOM 485 CG LYS A 32 4.444 -13.106 4.788 1.00 53.35 C ATOM 486 CD LYS A 32 5.666 -13.991 5.054 1.00 20.01 C ATOM 487 CE LYS A 32 6.181 -13.874 6.490 1.00 24.21 C ATOM 488 NZ LYS A 32 6.671 -12.509 6.828 1.00 51.11 N ATOM 0 H LYS A 32 1.913 -11.486 3.447 1.00 32.21 H new ATOM 0 HA LYS A 32 2.939 -10.780 5.266 1.00 12.22 H new ATOM 0 HB2 LYS A 32 5.504 -11.528 3.794 1.00 31.21 H new ATOM 0 HB3 LYS A 32 5.353 -11.309 5.526 1.00 31.21 H new ATOM 0 HG2 LYS A 32 3.734 -13.215 5.608 1.00 53.35 H new ATOM 0 HG3 LYS A 32 3.941 -13.448 3.883 1.00 53.35 H new ATOM 0 HD2 LYS A 32 5.408 -15.030 4.849 1.00 20.01 H new ATOM 0 HD3 LYS A 32 6.464 -13.718 4.363 1.00 20.01 H new ATOM 0 HE2 LYS A 32 5.382 -14.147 7.179 1.00 24.21 H new ATOM 0 HE3 LYS A 32 6.989 -14.590 6.639 1.00 24.21 H new ATOM 0 HZ1 LYS A 32 7.438 -12.579 7.527 1.00 51.11 H new ATOM 0 HZ2 LYS A 32 7.028 -12.045 5.968 1.00 51.11 H new ATOM 0 HZ3 LYS A 32 5.890 -11.948 7.225 1.00 51.11 H new ATOM 502 N ILE A 33 3.117 -8.312 4.427 1.00 74.25 N ATOM 503 CA ILE A 33 3.425 -6.876 4.461 1.00 50.53 C ATOM 504 C ILE A 33 3.557 -6.376 5.918 1.00 14.34 C ATOM 505 O ILE A 33 2.603 -6.432 6.695 1.00 33.32 O ATOM 506 CB ILE A 33 2.338 -6.055 3.713 1.00 33.35 C ATOM 507 CG1 ILE A 33 2.280 -6.463 2.226 1.00 61.22 C ATOM 508 CG2 ILE A 33 2.594 -4.555 3.848 1.00 64.23 C ATOM 509 CD1 ILE A 33 3.576 -6.244 1.468 1.00 0.51 C ATOM 0 H ILE A 33 2.122 -8.529 4.487 1.00 74.25 H new ATOM 0 HA ILE A 33 4.379 -6.730 3.954 1.00 50.53 H new ATOM 0 HB ILE A 33 1.374 -6.275 4.171 1.00 33.35 H new ATOM 0 HG12 ILE A 33 2.008 -7.516 2.161 1.00 61.22 H new ATOM 0 HG13 ILE A 33 1.487 -5.898 1.737 1.00 61.22 H new ATOM 0 HG21 ILE A 33 1.819 -4.004 3.315 1.00 64.23 H new ATOM 0 HG22 ILE A 33 2.578 -4.277 4.902 1.00 64.23 H new ATOM 0 HG23 ILE A 33 3.568 -4.312 3.423 1.00 64.23 H new ATOM 0 HD11 ILE A 33 3.449 -6.556 0.432 1.00 0.51 H new ATOM 0 HD12 ILE A 33 3.841 -5.187 1.498 1.00 0.51 H new ATOM 0 HD13 ILE A 33 4.371 -6.831 1.929 1.00 0.51 H new ATOM 521 N PRO A 34 4.753 -5.885 6.311 1.00 31.50 N ATOM 522 CA PRO A 34 5.032 -5.465 7.702 1.00 1.44 C ATOM 523 C PRO A 34 4.510 -4.054 8.058 1.00 0.54 C ATOM 524 O PRO A 34 5.058 -3.387 8.942 1.00 41.44 O ATOM 525 CB PRO A 34 6.564 -5.502 7.750 1.00 32.44 C ATOM 526 CG PRO A 34 6.986 -5.146 6.363 1.00 14.45 C ATOM 527 CD PRO A 34 5.936 -5.714 5.441 1.00 23.34 C ATOM 0 HA PRO A 34 4.529 -6.108 8.424 1.00 1.44 H new ATOM 0 HB2 PRO A 34 6.956 -4.793 8.479 1.00 32.44 H new ATOM 0 HB3 PRO A 34 6.929 -6.488 8.036 1.00 32.44 H new ATOM 0 HG2 PRO A 34 7.063 -4.065 6.246 1.00 14.45 H new ATOM 0 HG3 PRO A 34 7.968 -5.562 6.137 1.00 14.45 H new ATOM 0 HD2 PRO A 34 5.727 -5.040 4.610 1.00 23.34 H new ATOM 0 HD3 PRO A 34 6.255 -6.663 5.009 1.00 23.34 H new ATOM 535 N PHE A 35 3.450 -3.608 7.385 1.00 42.34 N ATOM 536 CA PHE A 35 2.825 -2.310 7.686 1.00 32.10 C ATOM 537 C PHE A 35 1.348 -2.279 7.247 1.00 45.34 C ATOM 538 O PHE A 35 0.982 -2.875 6.234 1.00 55.02 O ATOM 539 CB PHE A 35 3.622 -1.149 7.050 1.00 63.22 C ATOM 540 CG PHE A 35 4.032 -1.372 5.612 1.00 72.24 C ATOM 541 CD1 PHE A 35 3.175 -1.056 4.570 1.00 74.33 C ATOM 542 CD2 PHE A 35 5.285 -1.888 5.308 1.00 4.40 C ATOM 543 CE1 PHE A 35 3.556 -1.255 3.256 1.00 60.14 C ATOM 544 CE2 PHE A 35 5.671 -2.088 3.998 1.00 11.51 C ATOM 545 CZ PHE A 35 4.804 -1.770 2.970 1.00 4.42 C ATOM 0 H PHE A 35 3.002 -4.123 6.627 1.00 42.34 H new ATOM 0 HA PHE A 35 2.846 -2.177 8.768 1.00 32.10 H new ATOM 0 HB2 PHE A 35 3.020 -0.242 7.105 1.00 63.22 H new ATOM 0 HB3 PHE A 35 4.518 -0.974 7.645 1.00 63.22 H new ATOM 0 HD1 PHE A 35 2.198 -0.650 4.787 1.00 74.33 H new ATOM 0 HD2 PHE A 35 5.967 -2.136 6.108 1.00 4.40 H new ATOM 0 HE1 PHE A 35 2.877 -1.007 2.453 1.00 60.14 H new ATOM 0 HE2 PHE A 35 6.648 -2.492 3.777 1.00 11.51 H new ATOM 0 HZ PHE A 35 5.103 -1.924 1.944 1.00 4.42 H new ATOM 555 N PRO A 36 0.476 -1.584 8.015 1.00 51.24 N ATOM 556 CA PRO A 36 -0.979 -1.568 7.757 1.00 14.23 C ATOM 557 C PRO A 36 -1.370 -0.853 6.451 1.00 41.14 C ATOM 558 O PRO A 36 -0.857 0.225 6.131 1.00 35.32 O ATOM 559 CB PRO A 36 -1.547 -0.823 8.977 1.00 62.43 C ATOM 560 CG PRO A 36 -0.419 0.022 9.465 1.00 14.25 C ATOM 561 CD PRO A 36 0.834 -0.772 9.196 1.00 74.11 C ATOM 0 HA PRO A 36 -1.368 -2.578 7.628 1.00 14.23 H new ATOM 0 HB2 PRO A 36 -2.408 -0.214 8.703 1.00 62.43 H new ATOM 0 HB3 PRO A 36 -1.881 -1.520 9.746 1.00 62.43 H new ATOM 0 HG2 PRO A 36 -0.394 0.980 8.945 1.00 14.25 H new ATOM 0 HG3 PRO A 36 -0.524 0.239 10.528 1.00 14.25 H new ATOM 0 HD2 PRO A 36 1.686 -0.123 8.994 1.00 74.11 H new ATOM 0 HD3 PRO A 36 1.104 -1.397 10.047 1.00 74.11 H new ATOM 569 N THR A 37 -2.311 -1.450 5.719 1.00 70.04 N ATOM 570 CA THR A 37 -2.769 -0.904 4.434 1.00 14.03 C ATOM 571 C THR A 37 -3.441 0.463 4.607 1.00 11.42 C ATOM 572 O THR A 37 -3.335 1.333 3.740 1.00 41.13 O ATOM 573 CB THR A 37 -3.758 -1.862 3.730 1.00 34.14 C ATOM 574 OG1 THR A 37 -4.936 -2.035 4.533 1.00 45.24 O ATOM 575 CG2 THR A 37 -3.114 -3.225 3.470 1.00 61.01 C ATOM 0 H THR A 37 -2.775 -2.316 5.993 1.00 70.04 H new ATOM 0 HA THR A 37 -1.879 -0.789 3.816 1.00 14.03 H new ATOM 0 HB THR A 37 -4.030 -1.418 2.773 1.00 34.14 H new ATOM 0 HG1 THR A 37 -5.668 -2.366 3.972 1.00 45.24 H new ATOM 0 HG21 THR A 37 -3.832 -3.878 2.974 1.00 61.01 H new ATOM 0 HG22 THR A 37 -2.239 -3.098 2.833 1.00 61.01 H new ATOM 0 HG23 THR A 37 -2.812 -3.671 4.417 1.00 61.01 H new ATOM 583 N ASP A 38 -4.127 0.644 5.736 1.00 22.34 N ATOM 584 CA ASP A 38 -4.727 1.935 6.091 1.00 63.23 C ATOM 585 C ASP A 38 -3.709 3.076 5.933 1.00 74.41 C ATOM 586 O ASP A 38 -3.981 4.092 5.288 1.00 35.24 O ATOM 587 CB ASP A 38 -5.233 1.895 7.537 1.00 55.44 C ATOM 588 CG ASP A 38 -6.172 0.730 7.790 1.00 52.12 C ATOM 589 OD1 ASP A 38 -5.691 -0.415 7.903 1.00 62.01 O ATOM 590 OD2 ASP A 38 -7.394 0.956 7.896 1.00 63.34 O ATOM 0 H ASP A 38 -4.283 -0.091 6.426 1.00 22.34 H new ATOM 0 HA ASP A 38 -5.563 2.120 5.416 1.00 63.23 H new ATOM 0 HB2 ASP A 38 -4.382 1.826 8.215 1.00 55.44 H new ATOM 0 HB3 ASP A 38 -5.747 2.829 7.765 1.00 55.44 H new ATOM 595 N LYS A 39 -2.524 2.883 6.512 1.00 23.12 N ATOM 596 CA LYS A 39 -1.447 3.871 6.426 1.00 73.35 C ATOM 597 C LYS A 39 -1.003 4.085 4.966 1.00 55.53 C ATOM 598 O LYS A 39 -0.788 5.216 4.539 1.00 44.13 O ATOM 599 CB LYS A 39 -0.255 3.437 7.296 1.00 13.44 C ATOM 600 CG LYS A 39 0.955 4.363 7.187 1.00 12.22 C ATOM 601 CD LYS A 39 2.091 3.960 8.127 1.00 21.23 C ATOM 602 CE LYS A 39 1.714 4.146 9.593 1.00 45.03 C ATOM 603 NZ LYS A 39 2.867 3.887 10.496 1.00 2.34 N ATOM 0 H LYS A 39 -2.284 2.049 7.048 1.00 23.12 H new ATOM 0 HA LYS A 39 -1.827 4.821 6.801 1.00 73.35 H new ATOM 0 HB2 LYS A 39 -0.574 3.392 8.337 1.00 13.44 H new ATOM 0 HB3 LYS A 39 0.044 2.428 7.010 1.00 13.44 H new ATOM 0 HG2 LYS A 39 1.320 4.359 6.160 1.00 12.22 H new ATOM 0 HG3 LYS A 39 0.648 5.384 7.412 1.00 12.22 H new ATOM 0 HD2 LYS A 39 2.355 2.917 7.950 1.00 21.23 H new ATOM 0 HD3 LYS A 39 2.976 4.555 7.902 1.00 21.23 H new ATOM 0 HE2 LYS A 39 1.351 5.162 9.749 1.00 45.03 H new ATOM 0 HE3 LYS A 39 0.895 3.472 9.846 1.00 45.03 H new ATOM 0 HZ1 LYS A 39 2.572 4.023 11.484 1.00 2.34 H new ATOM 0 HZ2 LYS A 39 3.198 2.910 10.365 1.00 2.34 H new ATOM 0 HZ3 LYS A 39 3.639 4.547 10.271 1.00 2.34 H new ATOM 617 N ILE A 40 -0.888 2.992 4.206 1.00 73.52 N ATOM 618 CA ILE A 40 -0.525 3.060 2.781 1.00 13.01 C ATOM 619 C ILE A 40 -1.443 4.029 2.014 1.00 24.44 C ATOM 620 O ILE A 40 -0.989 4.822 1.183 1.00 60.53 O ATOM 621 CB ILE A 40 -0.613 1.660 2.116 1.00 52.33 C ATOM 622 CG1 ILE A 40 0.317 0.658 2.824 1.00 73.04 C ATOM 623 CG2 ILE A 40 -0.286 1.742 0.623 1.00 40.10 C ATOM 624 CD1 ILE A 40 0.208 -0.761 2.294 1.00 54.52 C ATOM 0 H ILE A 40 -1.041 2.045 4.552 1.00 73.52 H new ATOM 0 HA ILE A 40 0.502 3.424 2.734 1.00 13.01 H new ATOM 0 HB ILE A 40 -1.638 1.303 2.218 1.00 52.33 H new ATOM 0 HG12 ILE A 40 1.348 0.997 2.719 1.00 73.04 H new ATOM 0 HG13 ILE A 40 0.089 0.656 3.890 1.00 73.04 H new ATOM 0 HG21 ILE A 40 -0.355 0.748 0.180 1.00 40.10 H new ATOM 0 HG22 ILE A 40 -0.995 2.408 0.131 1.00 40.10 H new ATOM 0 HG23 ILE A 40 0.725 2.128 0.493 1.00 40.10 H new ATOM 0 HD11 ILE A 40 0.893 -1.408 2.842 1.00 54.52 H new ATOM 0 HD12 ILE A 40 -0.813 -1.121 2.424 1.00 54.52 H new ATOM 0 HD13 ILE A 40 0.465 -0.775 1.235 1.00 54.52 H new ATOM 636 N VAL A 41 -2.738 3.955 2.304 1.00 42.43 N ATOM 637 CA VAL A 41 -3.735 4.800 1.636 1.00 70.03 C ATOM 638 C VAL A 41 -3.729 6.245 2.179 1.00 54.24 C ATOM 639 O VAL A 41 -3.972 7.199 1.435 1.00 54.33 O ATOM 640 CB VAL A 41 -5.156 4.200 1.791 1.00 53.42 C ATOM 641 CG1 VAL A 41 -6.195 5.042 1.048 1.00 61.25 C ATOM 642 CG2 VAL A 41 -5.183 2.750 1.305 1.00 32.24 C ATOM 0 H VAL A 41 -3.128 3.318 2.999 1.00 42.43 H new ATOM 0 HA VAL A 41 -3.463 4.831 0.581 1.00 70.03 H new ATOM 0 HB VAL A 41 -5.414 4.212 2.850 1.00 53.42 H new ATOM 0 HG11 VAL A 41 -7.182 4.597 1.175 1.00 61.25 H new ATOM 0 HG12 VAL A 41 -6.199 6.054 1.452 1.00 61.25 H new ATOM 0 HG13 VAL A 41 -5.945 5.075 -0.013 1.00 61.25 H new ATOM 0 HG21 VAL A 41 -6.189 2.346 1.422 1.00 32.24 H new ATOM 0 HG22 VAL A 41 -4.897 2.713 0.254 1.00 32.24 H new ATOM 0 HG23 VAL A 41 -4.483 2.156 1.893 1.00 32.24 H new ATOM 652 N ASN A 42 -3.446 6.400 3.472 1.00 21.55 N ATOM 653 CA ASN A 42 -3.474 7.724 4.120 1.00 20.02 C ATOM 654 C ASN A 42 -2.213 8.558 3.817 1.00 73.31 C ATOM 655 O ASN A 42 -2.281 9.785 3.721 1.00 73.25 O ATOM 656 CB ASN A 42 -3.642 7.573 5.639 1.00 21.41 C ATOM 657 CG ASN A 42 -5.029 7.095 6.048 1.00 44.42 C ATOM 658 OD1 ASN A 42 -5.645 6.254 5.242 1.00 72.33 O flip ATOM 659 ND2 ASN A 42 -5.540 7.470 7.100 1.00 62.03 N flip ATOM 0 H ASN A 42 -3.195 5.632 4.095 1.00 21.55 H new ATOM 0 HA ASN A 42 -4.328 8.259 3.705 1.00 20.02 H new ATOM 0 HB2 ASN A 42 -2.898 6.869 6.011 1.00 21.41 H new ATOM 0 HB3 ASN A 42 -3.440 8.532 6.117 1.00 21.41 H new ATOM 0 HD21 ASN A 42 -5.041 8.122 7.706 1.00 62.03 H new ATOM 0 HD22 ASN A 42 -6.463 7.130 7.368 1.00 62.03 H new ATOM 666 N LEU A 43 -1.064 7.899 3.670 1.00 20.52 N ATOM 667 CA LEU A 43 0.198 8.604 3.403 1.00 20.03 C ATOM 668 C LEU A 43 0.224 9.228 1.998 1.00 11.11 C ATOM 669 O LEU A 43 -0.377 8.702 1.058 1.00 13.32 O ATOM 670 CB LEU A 43 1.397 7.653 3.556 1.00 71.53 C ATOM 671 CG LEU A 43 1.687 7.166 4.985 1.00 41.13 C ATOM 672 CD1 LEU A 43 2.915 6.260 4.996 1.00 32.50 C ATOM 673 CD2 LEU A 43 1.877 8.348 5.939 1.00 33.04 C ATOM 0 H LEU A 43 -0.977 6.885 3.730 1.00 20.52 H new ATOM 0 HA LEU A 43 0.270 9.407 4.137 1.00 20.03 H new ATOM 0 HB2 LEU A 43 1.229 6.782 2.923 1.00 71.53 H new ATOM 0 HB3 LEU A 43 2.286 8.156 3.176 1.00 71.53 H new ATOM 0 HG LEU A 43 0.828 6.591 5.332 1.00 41.13 H new ATOM 0 HD11 LEU A 43 3.109 5.922 6.014 1.00 32.50 H new ATOM 0 HD12 LEU A 43 2.736 5.397 4.355 1.00 32.50 H new ATOM 0 HD13 LEU A 43 3.779 6.813 4.626 1.00 32.50 H new ATOM 0 HD21 LEU A 43 2.081 7.976 6.943 1.00 33.04 H new ATOM 0 HD22 LEU A 43 2.715 8.958 5.601 1.00 33.04 H new ATOM 0 HD23 LEU A 43 0.971 8.953 5.953 1.00 33.04 H new ATOM 685 N PRO A 44 0.910 10.377 1.838 1.00 32.24 N ATOM 686 CA PRO A 44 1.143 10.977 0.515 1.00 55.51 C ATOM 687 C PRO A 44 2.238 10.228 -0.265 1.00 33.42 C ATOM 688 O PRO A 44 2.949 9.392 0.298 1.00 24.23 O ATOM 689 CB PRO A 44 1.591 12.404 0.861 1.00 43.13 C ATOM 690 CG PRO A 44 2.247 12.274 2.194 1.00 64.23 C ATOM 691 CD PRO A 44 1.498 11.187 2.926 1.00 3.10 C ATOM 0 HA PRO A 44 0.264 10.941 -0.128 1.00 55.51 H new ATOM 0 HB2 PRO A 44 2.282 12.795 0.115 1.00 43.13 H new ATOM 0 HB3 PRO A 44 0.743 13.088 0.900 1.00 43.13 H new ATOM 0 HG2 PRO A 44 3.301 12.016 2.086 1.00 64.23 H new ATOM 0 HG3 PRO A 44 2.203 13.215 2.743 1.00 64.23 H new ATOM 0 HD2 PRO A 44 2.164 10.594 3.553 1.00 3.10 H new ATOM 0 HD3 PRO A 44 0.729 11.600 3.579 1.00 3.10 H new ATOM 699 N VAL A 45 2.381 10.533 -1.557 1.00 62.40 N ATOM 700 CA VAL A 45 3.374 9.855 -2.405 1.00 0.43 C ATOM 701 C VAL A 45 4.792 9.945 -1.807 1.00 51.31 C ATOM 702 O VAL A 45 5.590 9.019 -1.933 1.00 62.14 O ATOM 703 CB VAL A 45 3.379 10.427 -3.849 1.00 1.44 C ATOM 704 CG1 VAL A 45 3.769 11.906 -3.859 1.00 74.32 C ATOM 705 CG2 VAL A 45 4.299 9.609 -4.758 1.00 23.32 C ATOM 0 H VAL A 45 1.827 11.240 -2.040 1.00 62.40 H new ATOM 0 HA VAL A 45 3.081 8.806 -2.446 1.00 0.43 H new ATOM 0 HB VAL A 45 2.365 10.351 -4.240 1.00 1.44 H new ATOM 0 HG11 VAL A 45 3.763 12.277 -4.884 1.00 74.32 H new ATOM 0 HG12 VAL A 45 3.055 12.475 -3.263 1.00 74.32 H new ATOM 0 HG13 VAL A 45 4.767 12.022 -3.437 1.00 74.32 H new ATOM 0 HG21 VAL A 45 4.285 10.030 -5.763 1.00 23.32 H new ATOM 0 HG22 VAL A 45 5.316 9.638 -4.367 1.00 23.32 H new ATOM 0 HG23 VAL A 45 3.952 8.576 -4.792 1.00 23.32 H new ATOM 715 N ASP A 46 5.087 11.061 -1.143 1.00 35.51 N ATOM 716 CA ASP A 46 6.389 11.278 -0.501 1.00 44.51 C ATOM 717 C ASP A 46 6.707 10.171 0.528 1.00 25.22 C ATOM 718 O ASP A 46 7.689 9.437 0.384 1.00 42.34 O ATOM 719 CB ASP A 46 6.395 12.653 0.170 1.00 11.20 C ATOM 720 CG ASP A 46 6.020 13.759 -0.804 1.00 73.50 C ATOM 721 OD1 ASP A 46 4.807 14.028 -0.974 1.00 4.31 O ATOM 722 OD2 ASP A 46 6.932 14.357 -1.421 1.00 3.12 O ATOM 0 H ASP A 46 4.436 11.839 -1.033 1.00 35.51 H new ATOM 0 HA ASP A 46 7.165 11.239 -1.266 1.00 44.51 H new ATOM 0 HB2 ASP A 46 5.696 12.652 1.006 1.00 11.20 H new ATOM 0 HB3 ASP A 46 7.384 12.852 0.582 1.00 11.20 H new ATOM 727 N ASP A 47 5.867 10.054 1.558 1.00 11.33 N ATOM 728 CA ASP A 47 6.010 8.995 2.570 1.00 70.22 C ATOM 729 C ASP A 47 5.868 7.589 1.951 1.00 3.45 C ATOM 730 O ASP A 47 6.535 6.644 2.373 1.00 4.33 O ATOM 731 CB ASP A 47 4.965 9.175 3.679 1.00 70.05 C ATOM 732 CG ASP A 47 5.167 10.451 4.473 1.00 3.13 C ATOM 733 OD1 ASP A 47 5.002 11.545 3.898 1.00 43.12 O ATOM 734 OD2 ASP A 47 5.501 10.369 5.676 1.00 30.31 O ATOM 0 H ASP A 47 5.077 10.679 1.717 1.00 11.33 H new ATOM 0 HA ASP A 47 7.012 9.081 2.991 1.00 70.22 H new ATOM 0 HB2 ASP A 47 3.969 9.181 3.236 1.00 70.05 H new ATOM 0 HB3 ASP A 47 5.008 8.321 4.355 1.00 70.05 H new ATOM 739 N PHE A 48 4.992 7.466 0.955 1.00 70.12 N ATOM 740 CA PHE A 48 4.760 6.189 0.264 1.00 73.03 C ATOM 741 C PHE A 48 6.056 5.644 -0.360 1.00 5.41 C ATOM 742 O PHE A 48 6.426 4.486 -0.147 1.00 72.24 O ATOM 743 CB PHE A 48 3.684 6.378 -0.817 1.00 33.14 C ATOM 744 CG PHE A 48 3.374 5.130 -1.605 1.00 2.52 C ATOM 745 CD1 PHE A 48 2.619 4.110 -1.043 1.00 51.03 C ATOM 746 CD2 PHE A 48 3.834 4.979 -2.907 1.00 62.22 C ATOM 747 CE1 PHE A 48 2.331 2.966 -1.761 1.00 21.51 C ATOM 748 CE2 PHE A 48 3.549 3.834 -3.627 1.00 32.04 C ATOM 749 CZ PHE A 48 2.796 2.828 -3.054 1.00 14.23 C ATOM 0 H PHE A 48 4.426 8.238 0.603 1.00 70.12 H new ATOM 0 HA PHE A 48 4.416 5.459 0.996 1.00 73.03 H new ATOM 0 HB2 PHE A 48 2.768 6.733 -0.344 1.00 33.14 H new ATOM 0 HB3 PHE A 48 4.010 7.158 -1.506 1.00 33.14 H new ATOM 0 HD1 PHE A 48 2.252 4.212 -0.032 1.00 51.03 H new ATOM 0 HD2 PHE A 48 4.420 5.764 -3.361 1.00 62.22 H new ATOM 0 HE1 PHE A 48 1.743 2.180 -1.312 1.00 21.51 H new ATOM 0 HE2 PHE A 48 3.915 3.726 -4.637 1.00 32.04 H new ATOM 0 HZ PHE A 48 2.571 1.934 -3.617 1.00 14.23 H new ATOM 759 N ASN A 49 6.740 6.487 -1.130 1.00 51.15 N ATOM 760 CA ASN A 49 8.018 6.115 -1.744 1.00 15.32 C ATOM 761 C ASN A 49 9.040 5.683 -0.681 1.00 75.34 C ATOM 762 O ASN A 49 9.737 4.678 -0.846 1.00 4.31 O ATOM 763 CB ASN A 49 8.572 7.288 -2.556 1.00 53.22 C ATOM 764 CG ASN A 49 7.671 7.671 -3.718 1.00 25.14 C ATOM 765 OD1 ASN A 49 7.617 8.951 -4.026 1.00 24.22 O flip ATOM 766 ND2 ASN A 49 7.024 6.827 -4.334 1.00 61.41 N flip ATOM 0 H ASN A 49 6.432 7.435 -1.346 1.00 51.15 H new ATOM 0 HA ASN A 49 7.840 5.269 -2.408 1.00 15.32 H new ATOM 0 HB2 ASN A 49 8.701 8.150 -1.901 1.00 53.22 H new ATOM 0 HB3 ASN A 49 9.559 7.027 -2.937 1.00 53.22 H new ATOM 0 HD21 ASN A 49 7.088 5.844 -4.071 1.00 61.41 H new ATOM 0 HD22 ASN A 49 6.423 7.110 -5.108 1.00 61.41 H new ATOM 773 N GLU A 50 9.115 6.447 0.411 1.00 40.35 N ATOM 774 CA GLU A 50 9.998 6.107 1.533 1.00 21.33 C ATOM 775 C GLU A 50 9.645 4.733 2.116 1.00 60.03 C ATOM 776 O GLU A 50 10.519 3.903 2.351 1.00 35.32 O ATOM 777 CB GLU A 50 9.892 7.165 2.640 1.00 74.40 C ATOM 778 CG GLU A 50 10.293 8.571 2.212 1.00 31.54 C ATOM 779 CD GLU A 50 10.269 9.550 3.376 1.00 55.44 C ATOM 780 OE1 GLU A 50 9.209 10.154 3.638 1.00 74.20 O ATOM 781 OE2 GLU A 50 11.311 9.700 4.049 1.00 21.41 O ATOM 0 H GLU A 50 8.577 7.303 0.544 1.00 40.35 H new ATOM 0 HA GLU A 50 11.019 6.079 1.151 1.00 21.33 H new ATOM 0 HB2 GLU A 50 8.865 7.189 3.005 1.00 74.40 H new ATOM 0 HB3 GLU A 50 10.520 6.861 3.477 1.00 74.40 H new ATOM 0 HG2 GLU A 50 11.293 8.547 1.779 1.00 31.54 H new ATOM 0 HG3 GLU A 50 9.616 8.919 1.432 1.00 31.54 H new ATOM 788 N LEU A 51 8.354 4.508 2.336 1.00 53.15 N ATOM 789 CA LEU A 51 7.852 3.259 2.918 1.00 21.42 C ATOM 790 C LEU A 51 8.327 2.032 2.119 1.00 73.21 C ATOM 791 O LEU A 51 8.791 1.042 2.695 1.00 15.43 O ATOM 792 CB LEU A 51 6.314 3.309 2.967 1.00 13.23 C ATOM 793 CG LEU A 51 5.619 2.142 3.686 1.00 60.42 C ATOM 794 CD1 LEU A 51 6.055 2.065 5.149 1.00 1.42 C ATOM 795 CD2 LEU A 51 4.099 2.281 3.577 1.00 74.24 C ATOM 0 H LEU A 51 7.622 5.184 2.117 1.00 53.15 H new ATOM 0 HA LEU A 51 8.250 3.160 3.928 1.00 21.42 H new ATOM 0 HB2 LEU A 51 6.017 4.237 3.455 1.00 13.23 H new ATOM 0 HB3 LEU A 51 5.940 3.353 1.944 1.00 13.23 H new ATOM 0 HG LEU A 51 5.916 1.213 3.200 1.00 60.42 H new ATOM 0 HD11 LEU A 51 5.549 1.231 5.636 1.00 1.42 H new ATOM 0 HD12 LEU A 51 7.133 1.915 5.200 1.00 1.42 H new ATOM 0 HD13 LEU A 51 5.794 2.994 5.656 1.00 1.42 H new ATOM 0 HD21 LEU A 51 3.620 1.448 4.091 1.00 74.24 H new ATOM 0 HD22 LEU A 51 3.786 3.219 4.036 1.00 74.24 H new ATOM 0 HD23 LEU A 51 3.808 2.276 2.527 1.00 74.24 H new ATOM 807 N LEU A 52 8.226 2.116 0.790 1.00 22.13 N ATOM 808 CA LEU A 52 8.668 1.032 -0.099 1.00 22.31 C ATOM 809 C LEU A 52 10.192 0.830 -0.060 1.00 14.44 C ATOM 810 O LEU A 52 10.683 -0.278 -0.273 1.00 65.14 O ATOM 811 CB LEU A 52 8.231 1.311 -1.544 1.00 1.03 C ATOM 812 CG LEU A 52 6.714 1.295 -1.790 1.00 72.33 C ATOM 813 CD1 LEU A 52 6.401 1.581 -3.259 1.00 23.34 C ATOM 814 CD2 LEU A 52 6.119 -0.044 -1.361 1.00 62.30 C ATOM 0 H LEU A 52 7.841 2.925 0.302 1.00 22.13 H new ATOM 0 HA LEU A 52 8.197 0.118 0.262 1.00 22.31 H new ATOM 0 HB2 LEU A 52 8.620 2.285 -1.841 1.00 1.03 H new ATOM 0 HB3 LEU A 52 8.695 0.570 -2.195 1.00 1.03 H new ATOM 0 HG LEU A 52 6.259 2.082 -1.188 1.00 72.33 H new ATOM 0 HD11 LEU A 52 5.322 1.565 -3.411 1.00 23.34 H new ATOM 0 HD12 LEU A 52 6.791 2.562 -3.530 1.00 23.34 H new ATOM 0 HD13 LEU A 52 6.867 0.820 -3.885 1.00 23.34 H new ATOM 0 HD21 LEU A 52 5.044 -0.039 -1.542 1.00 62.30 H new ATOM 0 HD22 LEU A 52 6.580 -0.848 -1.935 1.00 62.30 H new ATOM 0 HD23 LEU A 52 6.308 -0.203 -0.299 1.00 62.30 H new ATOM 826 N ALA A 53 10.934 1.906 0.186 1.00 21.45 N ATOM 827 CA ALA A 53 12.401 1.842 0.230 1.00 40.25 C ATOM 828 C ALA A 53 12.923 1.377 1.600 1.00 72.12 C ATOM 829 O ALA A 53 13.922 0.658 1.689 1.00 33.21 O ATOM 830 CB ALA A 53 12.986 3.202 -0.127 1.00 54.24 C ATOM 0 H ALA A 53 10.549 2.835 0.358 1.00 21.45 H new ATOM 0 HA ALA A 53 12.722 1.101 -0.502 1.00 40.25 H new ATOM 0 HB1 ALA A 53 14.074 3.150 -0.093 1.00 54.24 H new ATOM 0 HB2 ALA A 53 12.667 3.483 -1.131 1.00 54.24 H new ATOM 0 HB3 ALA A 53 12.636 3.947 0.587 1.00 54.24 H new ATOM 836 N ARG A 54 12.234 1.784 2.664 1.00 4.24 N ATOM 837 CA ARG A 54 12.664 1.494 4.037 1.00 10.43 C ATOM 838 C ARG A 54 12.528 0.005 4.389 1.00 20.35 C ATOM 839 O ARG A 54 13.464 -0.604 4.911 1.00 42.23 O ATOM 840 CB ARG A 54 11.858 2.350 5.027 1.00 13.03 C ATOM 841 CG ARG A 54 12.135 3.848 4.906 1.00 24.11 C ATOM 842 CD ARG A 54 11.325 4.662 5.910 1.00 41.32 C ATOM 843 NE ARG A 54 11.500 6.103 5.715 1.00 74.43 N ATOM 844 CZ ARG A 54 11.255 7.004 6.632 1.00 51.22 C ATOM 845 NH1 ARG A 54 10.920 6.655 7.833 1.00 51.42 N ATOM 846 NH2 ARG A 54 11.370 8.258 6.355 1.00 42.23 N ATOM 0 H ARG A 54 11.368 2.320 2.604 1.00 4.24 H new ATOM 0 HA ARG A 54 13.722 1.745 4.110 1.00 10.43 H new ATOM 0 HB2 ARG A 54 10.795 2.171 4.867 1.00 13.03 H new ATOM 0 HB3 ARG A 54 12.086 2.028 6.043 1.00 13.03 H new ATOM 0 HG2 ARG A 54 13.198 4.034 5.062 1.00 24.11 H new ATOM 0 HG3 ARG A 54 11.898 4.180 3.895 1.00 24.11 H new ATOM 0 HD2 ARG A 54 10.269 4.409 5.815 1.00 41.32 H new ATOM 0 HD3 ARG A 54 11.627 4.394 6.922 1.00 41.32 H new ATOM 0 HE ARG A 54 11.834 6.425 4.807 1.00 74.43 H new ATOM 0 HH11 ARG A 54 10.844 5.667 8.075 1.00 51.42 H new ATOM 0 HH12 ARG A 54 10.732 7.368 8.538 1.00 51.42 H new ATOM 0 HH21 ARG A 54 11.652 8.550 5.419 1.00 42.23 H new ATOM 0 HH22 ARG A 54 11.178 8.958 7.072 1.00 42.23 H new ATOM 860 N TYR A 55 11.364 -0.581 4.116 1.00 73.03 N ATOM 861 CA TYR A 55 11.129 -2.000 4.418 1.00 24.54 C ATOM 862 C TYR A 55 11.644 -2.910 3.288 1.00 65.41 C ATOM 863 O TYR A 55 11.370 -2.665 2.114 1.00 25.40 O ATOM 864 CB TYR A 55 9.637 -2.254 4.668 1.00 64.51 C ATOM 865 CG TYR A 55 9.136 -1.678 5.977 1.00 22.14 C ATOM 866 CD1 TYR A 55 8.737 -0.349 6.072 1.00 63.41 C ATOM 867 CD2 TYR A 55 9.068 -2.467 7.120 1.00 74.15 C ATOM 868 CE1 TYR A 55 8.282 0.174 7.269 1.00 52.22 C ATOM 869 CE2 TYR A 55 8.613 -1.952 8.316 1.00 32.21 C ATOM 870 CZ TYR A 55 8.224 -0.633 8.388 1.00 52.21 C ATOM 871 OH TYR A 55 7.768 -0.120 9.583 1.00 72.41 O ATOM 0 H TYR A 55 10.571 -0.103 3.689 1.00 73.03 H new ATOM 0 HA TYR A 55 11.686 -2.243 5.323 1.00 24.54 H new ATOM 0 HB2 TYR A 55 9.061 -1.825 3.848 1.00 64.51 H new ATOM 0 HB3 TYR A 55 9.453 -3.328 4.659 1.00 64.51 H new ATOM 0 HD1 TYR A 55 8.783 0.284 5.198 1.00 63.41 H new ATOM 0 HD2 TYR A 55 9.377 -3.501 7.070 1.00 74.15 H new ATOM 0 HE1 TYR A 55 7.974 1.207 7.328 1.00 52.22 H new ATOM 0 HE2 TYR A 55 8.562 -2.581 9.193 1.00 32.21 H new ATOM 0 HH TYR A 55 7.790 -0.820 10.269 1.00 72.41 H new ATOM 881 N PRO A 56 12.390 -3.982 3.628 1.00 14.02 N ATOM 882 CA PRO A 56 12.957 -4.903 2.629 1.00 73.20 C ATOM 883 C PRO A 56 11.902 -5.844 2.017 1.00 43.43 C ATOM 884 O PRO A 56 11.679 -6.957 2.503 1.00 42.32 O ATOM 885 CB PRO A 56 13.997 -5.692 3.435 1.00 45.34 C ATOM 886 CG PRO A 56 13.463 -5.696 4.829 1.00 42.15 C ATOM 887 CD PRO A 56 12.743 -4.380 5.006 1.00 1.45 C ATOM 0 HA PRO A 56 13.373 -4.373 1.773 1.00 73.20 H new ATOM 0 HB2 PRO A 56 14.112 -6.706 3.051 1.00 45.34 H new ATOM 0 HB3 PRO A 56 14.978 -5.220 3.387 1.00 45.34 H new ATOM 0 HG2 PRO A 56 12.785 -6.535 4.984 1.00 42.15 H new ATOM 0 HG3 PRO A 56 14.269 -5.800 5.555 1.00 42.15 H new ATOM 0 HD2 PRO A 56 11.856 -4.490 5.630 1.00 1.45 H new ATOM 0 HD3 PRO A 56 13.380 -3.637 5.486 1.00 1.45 H new ATOM 895 N LEU A 57 11.249 -5.381 0.957 1.00 63.42 N ATOM 896 CA LEU A 57 10.198 -6.154 0.286 1.00 64.33 C ATOM 897 C LEU A 57 10.677 -6.681 -1.077 1.00 72.11 C ATOM 898 O LEU A 57 11.643 -6.167 -1.649 1.00 32.24 O ATOM 899 CB LEU A 57 8.955 -5.274 0.087 1.00 54.21 C ATOM 900 CG LEU A 57 8.347 -4.672 1.366 1.00 32.01 C ATOM 901 CD1 LEU A 57 7.187 -3.738 1.024 1.00 71.22 C ATOM 902 CD2 LEU A 57 7.883 -5.769 2.320 1.00 41.23 C ATOM 0 H LEU A 57 11.427 -4.468 0.538 1.00 63.42 H new ATOM 0 HA LEU A 57 9.951 -7.008 0.916 1.00 64.33 H new ATOM 0 HB2 LEU A 57 9.215 -4.458 -0.587 1.00 54.21 H new ATOM 0 HB3 LEU A 57 8.189 -5.868 -0.412 1.00 54.21 H new ATOM 0 HG LEU A 57 9.123 -4.092 1.865 1.00 32.01 H new ATOM 0 HD11 LEU A 57 6.771 -3.323 1.942 1.00 71.22 H new ATOM 0 HD12 LEU A 57 7.547 -2.928 0.390 1.00 71.22 H new ATOM 0 HD13 LEU A 57 6.414 -4.296 0.496 1.00 71.22 H new ATOM 0 HD21 LEU A 57 7.457 -5.316 3.216 1.00 41.23 H new ATOM 0 HD22 LEU A 57 7.127 -6.382 1.829 1.00 41.23 H new ATOM 0 HD23 LEU A 57 8.732 -6.393 2.598 1.00 41.23 H new ATOM 914 N THR A 58 10.012 -7.715 -1.585 1.00 62.21 N ATOM 915 CA THR A 58 10.285 -8.224 -2.939 1.00 74.22 C ATOM 916 C THR A 58 9.575 -7.359 -3.985 1.00 12.25 C ATOM 917 O THR A 58 8.588 -6.690 -3.674 1.00 45.10 O ATOM 918 CB THR A 58 9.807 -9.683 -3.118 1.00 33.45 C ATOM 919 OG1 THR A 58 8.374 -9.741 -3.060 1.00 23.22 O ATOM 920 CG2 THR A 58 10.406 -10.593 -2.049 1.00 72.40 C ATOM 0 H THR A 58 9.280 -8.221 -1.086 1.00 62.21 H new ATOM 0 HA THR A 58 11.366 -8.186 -3.076 1.00 74.22 H new ATOM 0 HB THR A 58 10.145 -10.033 -4.093 1.00 33.45 H new ATOM 0 HG1 THR A 58 8.079 -10.668 -3.176 1.00 23.22 H new ATOM 0 HG21 THR A 58 10.052 -11.613 -2.200 1.00 72.40 H new ATOM 0 HG22 THR A 58 11.493 -10.572 -2.121 1.00 72.40 H new ATOM 0 HG23 THR A 58 10.100 -10.245 -1.062 1.00 72.40 H new ATOM 928 N GLU A 59 10.058 -7.382 -5.229 1.00 62.03 N ATOM 929 CA GLU A 59 9.458 -6.577 -6.305 1.00 42.25 C ATOM 930 C GLU A 59 7.934 -6.785 -6.392 1.00 0.43 C ATOM 931 O GLU A 59 7.178 -5.839 -6.647 1.00 12.35 O ATOM 932 CB GLU A 59 10.118 -6.899 -7.656 1.00 24.23 C ATOM 933 CG GLU A 59 11.597 -6.528 -7.720 1.00 60.24 C ATOM 934 CD GLU A 59 12.199 -6.751 -9.097 1.00 51.35 C ATOM 935 OE1 GLU A 59 11.925 -5.941 -10.008 1.00 40.14 O ATOM 936 OE2 GLU A 59 12.949 -7.734 -9.281 1.00 62.24 O ATOM 0 H GLU A 59 10.858 -7.944 -5.519 1.00 62.03 H new ATOM 0 HA GLU A 59 9.637 -5.529 -6.065 1.00 42.25 H new ATOM 0 HB2 GLU A 59 10.011 -7.965 -7.858 1.00 24.23 H new ATOM 0 HB3 GLU A 59 9.585 -6.370 -8.446 1.00 24.23 H new ATOM 0 HG2 GLU A 59 11.717 -5.481 -7.441 1.00 60.24 H new ATOM 0 HG3 GLU A 59 12.147 -7.118 -6.988 1.00 60.24 H new ATOM 943 N SER A 60 7.491 -8.021 -6.167 1.00 54.52 N ATOM 944 CA SER A 60 6.057 -8.342 -6.131 1.00 14.11 C ATOM 945 C SER A 60 5.347 -7.616 -4.980 1.00 74.52 C ATOM 946 O SER A 60 4.239 -7.103 -5.148 1.00 42.10 O ATOM 947 CB SER A 60 5.839 -9.857 -5.991 1.00 32.42 C ATOM 948 OG SER A 60 6.306 -10.557 -7.134 1.00 24.33 O ATOM 0 H SER A 60 8.103 -8.821 -6.006 1.00 54.52 H new ATOM 0 HA SER A 60 5.628 -8.002 -7.074 1.00 14.11 H new ATOM 0 HB2 SER A 60 6.358 -10.220 -5.104 1.00 32.42 H new ATOM 0 HB3 SER A 60 4.778 -10.061 -5.846 1.00 32.42 H new ATOM 0 HG SER A 60 6.155 -11.518 -7.014 1.00 24.33 H new ATOM 954 N GLN A 61 5.989 -7.567 -3.811 1.00 64.12 N ATOM 955 CA GLN A 61 5.406 -6.898 -2.644 1.00 22.23 C ATOM 956 C GLN A 61 5.250 -5.385 -2.883 1.00 2.52 C ATOM 957 O GLN A 61 4.200 -4.815 -2.583 1.00 41.01 O ATOM 958 CB GLN A 61 6.250 -7.157 -1.387 1.00 51.12 C ATOM 959 CG GLN A 61 6.300 -8.626 -0.963 1.00 43.12 C ATOM 960 CD GLN A 61 7.093 -8.840 0.319 1.00 52.34 C ATOM 961 OE1 GLN A 61 8.304 -9.032 0.295 1.00 33.03 O ATOM 962 NE2 GLN A 61 6.413 -8.824 1.447 1.00 55.04 N ATOM 0 H GLN A 61 6.907 -7.980 -3.647 1.00 64.12 H new ATOM 0 HA GLN A 61 4.412 -7.318 -2.488 1.00 22.23 H new ATOM 0 HB2 GLN A 61 7.266 -6.806 -1.566 1.00 51.12 H new ATOM 0 HB3 GLN A 61 5.849 -6.565 -0.564 1.00 51.12 H new ATOM 0 HG2 GLN A 61 5.284 -8.994 -0.823 1.00 43.12 H new ATOM 0 HG3 GLN A 61 6.745 -9.216 -1.764 1.00 43.12 H new ATOM 0 HE21 GLN A 61 5.406 -8.662 1.433 1.00 55.04 H new ATOM 0 HE22 GLN A 61 6.893 -8.974 2.334 1.00 55.04 H new ATOM 971 N LEU A 62 6.284 -4.733 -3.430 1.00 62.10 N ATOM 972 CA LEU A 62 6.187 -3.302 -3.773 1.00 74.32 C ATOM 973 C LEU A 62 5.040 -3.052 -4.764 1.00 64.41 C ATOM 974 O LEU A 62 4.291 -2.081 -4.634 1.00 22.41 O ATOM 975 CB LEU A 62 7.502 -2.756 -4.365 1.00 43.23 C ATOM 976 CG LEU A 62 8.672 -2.579 -3.375 1.00 55.33 C ATOM 977 CD1 LEU A 62 9.321 -3.914 -3.048 1.00 13.41 C ATOM 978 CD2 LEU A 62 9.709 -1.603 -3.929 1.00 32.11 C ATOM 0 H LEU A 62 7.185 -5.162 -3.643 1.00 62.10 H new ATOM 0 HA LEU A 62 5.986 -2.772 -2.842 1.00 74.32 H new ATOM 0 HB2 LEU A 62 7.825 -3.428 -5.160 1.00 43.23 H new ATOM 0 HB3 LEU A 62 7.295 -1.791 -4.827 1.00 43.23 H new ATOM 0 HG LEU A 62 8.266 -2.165 -2.452 1.00 55.33 H new ATOM 0 HD11 LEU A 62 10.142 -3.758 -2.348 1.00 13.41 H new ATOM 0 HD12 LEU A 62 8.582 -4.577 -2.598 1.00 13.41 H new ATOM 0 HD13 LEU A 62 9.705 -4.366 -3.963 1.00 13.41 H new ATOM 0 HD21 LEU A 62 10.524 -1.494 -3.214 1.00 32.11 H new ATOM 0 HD22 LEU A 62 10.101 -1.985 -4.871 1.00 32.11 H new ATOM 0 HD23 LEU A 62 9.242 -0.633 -4.097 1.00 32.11 H new ATOM 990 N ALA A 63 4.909 -3.935 -5.756 1.00 3.42 N ATOM 991 CA ALA A 63 3.813 -3.854 -6.728 1.00 41.41 C ATOM 992 C ALA A 63 2.448 -3.985 -6.037 1.00 51.13 C ATOM 993 O ALA A 63 1.516 -3.227 -6.322 1.00 21.45 O ATOM 994 CB ALA A 63 3.975 -4.931 -7.796 1.00 11.15 C ATOM 0 H ALA A 63 5.548 -4.715 -5.909 1.00 3.42 H new ATOM 0 HA ALA A 63 3.854 -2.875 -7.205 1.00 41.41 H new ATOM 0 HB1 ALA A 63 3.156 -4.860 -8.511 1.00 11.15 H new ATOM 0 HB2 ALA A 63 4.923 -4.789 -8.315 1.00 11.15 H new ATOM 0 HB3 ALA A 63 3.962 -5.914 -7.326 1.00 11.15 H new ATOM 1000 N LEU A 64 2.344 -4.951 -5.124 1.00 31.11 N ATOM 1001 CA LEU A 64 1.124 -5.148 -4.333 1.00 33.14 C ATOM 1002 C LEU A 64 0.750 -3.870 -3.567 1.00 13.13 C ATOM 1003 O LEU A 64 -0.386 -3.410 -3.628 1.00 35.43 O ATOM 1004 CB LEU A 64 1.314 -6.303 -3.340 1.00 22.45 C ATOM 1005 CG LEU A 64 0.125 -6.564 -2.398 1.00 52.14 C ATOM 1006 CD1 LEU A 64 -1.094 -7.046 -3.179 1.00 70.12 C ATOM 1007 CD2 LEU A 64 0.503 -7.567 -1.311 1.00 31.02 C ATOM 0 H LEU A 64 3.091 -5.612 -4.912 1.00 31.11 H new ATOM 0 HA LEU A 64 0.315 -5.391 -5.022 1.00 33.14 H new ATOM 0 HB2 LEU A 64 1.517 -7.214 -3.903 1.00 22.45 H new ATOM 0 HB3 LEU A 64 2.197 -6.098 -2.735 1.00 22.45 H new ATOM 0 HG LEU A 64 -0.134 -5.622 -1.915 1.00 52.14 H new ATOM 0 HD11 LEU A 64 -1.920 -7.223 -2.491 1.00 70.12 H new ATOM 0 HD12 LEU A 64 -1.384 -6.287 -3.906 1.00 70.12 H new ATOM 0 HD13 LEU A 64 -0.850 -7.972 -3.699 1.00 70.12 H new ATOM 0 HD21 LEU A 64 -0.353 -7.735 -0.658 1.00 31.02 H new ATOM 0 HD22 LEU A 64 0.798 -8.509 -1.772 1.00 31.02 H new ATOM 0 HD23 LEU A 64 1.334 -7.173 -0.726 1.00 31.02 H new ATOM 1019 N VAL A 65 1.723 -3.307 -2.850 1.00 64.11 N ATOM 1020 CA VAL A 65 1.518 -2.067 -2.091 1.00 21.23 C ATOM 1021 C VAL A 65 1.019 -0.926 -2.994 1.00 72.20 C ATOM 1022 O VAL A 65 0.181 -0.115 -2.589 1.00 24.21 O ATOM 1023 CB VAL A 65 2.822 -1.635 -1.367 1.00 24.15 C ATOM 1024 CG1 VAL A 65 2.620 -0.339 -0.590 1.00 24.53 C ATOM 1025 CG2 VAL A 65 3.314 -2.743 -0.440 1.00 44.42 C ATOM 0 H VAL A 65 2.666 -3.690 -2.777 1.00 64.11 H new ATOM 0 HA VAL A 65 0.751 -2.272 -1.344 1.00 21.23 H new ATOM 0 HB VAL A 65 3.582 -1.455 -2.128 1.00 24.15 H new ATOM 0 HG11 VAL A 65 3.551 -0.063 -0.094 1.00 24.53 H new ATOM 0 HG12 VAL A 65 2.325 0.455 -1.277 1.00 24.53 H new ATOM 0 HG13 VAL A 65 1.839 -0.481 0.157 1.00 24.53 H new ATOM 0 HG21 VAL A 65 4.229 -2.421 0.058 1.00 44.42 H new ATOM 0 HG22 VAL A 65 2.550 -2.958 0.307 1.00 44.42 H new ATOM 0 HG23 VAL A 65 3.515 -3.642 -1.022 1.00 44.42 H new ATOM 1035 N ARG A 66 1.521 -0.871 -4.227 1.00 1.12 N ATOM 1036 CA ARG A 66 1.052 0.125 -5.196 1.00 71.41 C ATOM 1037 C ARG A 66 -0.402 -0.147 -5.616 1.00 14.24 C ATOM 1038 O ARG A 66 -1.184 0.787 -5.809 1.00 41.31 O ATOM 1039 CB ARG A 66 1.969 0.164 -6.426 1.00 63.41 C ATOM 1040 CG ARG A 66 3.390 0.623 -6.107 1.00 31.21 C ATOM 1041 CD ARG A 66 4.226 0.827 -7.368 1.00 32.43 C ATOM 1042 NE ARG A 66 5.592 1.263 -7.061 1.00 70.23 N ATOM 1043 CZ ARG A 66 6.059 2.468 -7.283 1.00 34.53 C ATOM 1044 NH1 ARG A 66 5.329 3.366 -7.861 1.00 4.21 N ATOM 1045 NH2 ARG A 66 7.271 2.765 -6.949 1.00 24.11 N ATOM 0 H ARG A 66 2.246 -1.497 -4.579 1.00 1.12 H new ATOM 0 HA ARG A 66 1.085 1.100 -4.710 1.00 71.41 H new ATOM 0 HB2 ARG A 66 2.007 -0.829 -6.873 1.00 63.41 H new ATOM 0 HB3 ARG A 66 1.538 0.833 -7.171 1.00 63.41 H new ATOM 0 HG2 ARG A 66 3.351 1.555 -5.544 1.00 31.21 H new ATOM 0 HG3 ARG A 66 3.874 -0.115 -5.468 1.00 31.21 H new ATOM 0 HD2 ARG A 66 4.262 -0.104 -7.933 1.00 32.43 H new ATOM 0 HD3 ARG A 66 3.744 1.568 -8.006 1.00 32.43 H new ATOM 0 HE ARG A 66 6.225 0.580 -6.645 1.00 70.23 H new ATOM 0 HH11 ARG A 66 4.377 3.141 -8.150 1.00 4.21 H new ATOM 0 HH12 ARG A 66 5.705 4.299 -8.027 1.00 4.21 H new ATOM 0 HH21 ARG A 66 7.866 2.062 -6.512 1.00 24.11 H new ATOM 0 HH22 ARG A 66 7.633 3.703 -7.122 1.00 24.11 H new ATOM 1059 N ASP A 67 -0.765 -1.427 -5.745 1.00 21.13 N ATOM 1060 CA ASP A 67 -2.150 -1.809 -6.050 1.00 54.34 C ATOM 1061 C ASP A 67 -3.078 -1.443 -4.879 1.00 2.43 C ATOM 1062 O ASP A 67 -4.177 -0.924 -5.082 1.00 4.41 O ATOM 1063 CB ASP A 67 -2.242 -3.311 -6.360 1.00 55.42 C ATOM 1064 CG ASP A 67 -3.639 -3.733 -6.795 1.00 4.33 C ATOM 1065 OD1 ASP A 67 -4.095 -3.278 -7.867 1.00 65.02 O ATOM 1066 OD2 ASP A 67 -4.292 -4.513 -6.069 1.00 61.40 O ATOM 0 H ASP A 67 -0.124 -2.214 -5.644 1.00 21.13 H new ATOM 0 HA ASP A 67 -2.472 -1.257 -6.933 1.00 54.34 H new ATOM 0 HB2 ASP A 67 -1.529 -3.561 -7.146 1.00 55.42 H new ATOM 0 HB3 ASP A 67 -1.953 -3.879 -5.476 1.00 55.42 H new ATOM 1071 N ILE A 68 -2.613 -1.704 -3.656 1.00 43.51 N ATOM 1072 CA ILE A 68 -3.343 -1.327 -2.439 1.00 34.45 C ATOM 1073 C ILE A 68 -3.618 0.184 -2.407 1.00 74.34 C ATOM 1074 O ILE A 68 -4.733 0.621 -2.126 1.00 13.24 O ATOM 1075 CB ILE A 68 -2.554 -1.732 -1.163 1.00 73.22 C ATOM 1076 CG1 ILE A 68 -2.361 -3.259 -1.117 1.00 44.40 C ATOM 1077 CG2 ILE A 68 -3.262 -1.232 0.099 1.00 10.13 C ATOM 1078 CD1 ILE A 68 -1.542 -3.747 0.062 1.00 14.24 C ATOM 0 H ILE A 68 -1.728 -2.179 -3.479 1.00 43.51 H new ATOM 0 HA ILE A 68 -4.292 -1.863 -2.454 1.00 34.45 H new ATOM 0 HB ILE A 68 -1.571 -1.262 -1.201 1.00 73.22 H new ATOM 0 HG12 ILE A 68 -3.340 -3.737 -1.087 1.00 44.40 H new ATOM 0 HG13 ILE A 68 -1.877 -3.581 -2.039 1.00 44.40 H new ATOM 0 HG21 ILE A 68 -2.690 -1.528 0.978 1.00 10.13 H new ATOM 0 HG22 ILE A 68 -3.340 -0.145 0.066 1.00 10.13 H new ATOM 0 HG23 ILE A 68 -4.260 -1.666 0.152 1.00 10.13 H new ATOM 0 HD11 ILE A 68 -1.454 -4.833 0.019 1.00 14.24 H new ATOM 0 HD12 ILE A 68 -0.548 -3.300 0.024 1.00 14.24 H new ATOM 0 HD13 ILE A 68 -2.034 -3.459 0.991 1.00 14.24 H new ATOM 1090 N ARG A 69 -2.589 0.977 -2.705 1.00 11.22 N ATOM 1091 CA ARG A 69 -2.728 2.436 -2.797 1.00 51.43 C ATOM 1092 C ARG A 69 -3.760 2.835 -3.869 1.00 14.52 C ATOM 1093 O ARG A 69 -4.612 3.697 -3.644 1.00 5.43 O ATOM 1094 CB ARG A 69 -1.366 3.067 -3.129 1.00 62.51 C ATOM 1095 CG ARG A 69 -1.391 4.591 -3.253 1.00 22.43 C ATOM 1096 CD ARG A 69 -0.040 5.136 -3.709 1.00 61.33 C ATOM 1097 NE ARG A 69 -0.042 6.594 -3.851 1.00 74.52 N ATOM 1098 CZ ARG A 69 0.617 7.245 -4.775 1.00 0.23 C ATOM 1099 NH1 ARG A 69 1.334 6.612 -5.647 1.00 33.14 N ATOM 1100 NH2 ARG A 69 0.566 8.537 -4.826 1.00 62.23 N ATOM 0 H ARG A 69 -1.646 0.635 -2.888 1.00 11.22 H new ATOM 0 HA ARG A 69 -3.081 2.804 -1.833 1.00 51.43 H new ATOM 0 HB2 ARG A 69 -0.652 2.789 -2.354 1.00 62.51 H new ATOM 0 HB3 ARG A 69 -1.001 2.644 -4.065 1.00 62.51 H new ATOM 0 HG2 ARG A 69 -2.163 4.887 -3.964 1.00 22.43 H new ATOM 0 HG3 ARG A 69 -1.657 5.031 -2.292 1.00 22.43 H new ATOM 0 HD2 ARG A 69 0.727 4.845 -2.991 1.00 61.33 H new ATOM 0 HD3 ARG A 69 0.228 4.682 -4.663 1.00 61.33 H new ATOM 0 HE ARG A 69 -0.593 7.137 -3.186 1.00 74.52 H new ATOM 0 HH11 ARG A 69 1.390 5.594 -5.619 1.00 33.14 H new ATOM 0 HH12 ARG A 69 1.843 7.131 -6.362 1.00 33.14 H new ATOM 0 HH21 ARG A 69 0.010 9.053 -4.144 1.00 62.23 H new ATOM 0 HH22 ARG A 69 1.082 9.040 -5.548 1.00 62.23 H new ATOM 1114 N ARG A 70 -3.675 2.193 -5.033 1.00 41.35 N ATOM 1115 CA ARG A 70 -4.564 2.488 -6.162 1.00 11.11 C ATOM 1116 C ARG A 70 -6.036 2.162 -5.840 1.00 13.32 C ATOM 1117 O ARG A 70 -6.929 2.980 -6.078 1.00 5.31 O ATOM 1118 CB ARG A 70 -4.106 1.703 -7.402 1.00 11.42 C ATOM 1119 CG ARG A 70 -4.915 1.977 -8.668 1.00 4.23 C ATOM 1120 CD ARG A 70 -4.866 3.447 -9.077 1.00 24.25 C ATOM 1121 NE ARG A 70 -5.528 3.680 -10.360 1.00 74.23 N ATOM 1122 CZ ARG A 70 -6.794 3.974 -10.498 1.00 52.32 C ATOM 1123 NH1 ARG A 70 -7.570 4.045 -9.462 1.00 54.52 N ATOM 1124 NH2 ARG A 70 -7.285 4.192 -11.673 1.00 3.20 N ATOM 0 H ARG A 70 -2.994 1.458 -5.222 1.00 41.35 H new ATOM 0 HA ARG A 70 -4.505 3.558 -6.361 1.00 11.11 H new ATOM 0 HB2 ARG A 70 -3.060 1.939 -7.598 1.00 11.42 H new ATOM 0 HB3 ARG A 70 -4.156 0.637 -7.179 1.00 11.42 H new ATOM 0 HG2 ARG A 70 -4.532 1.362 -9.482 1.00 4.23 H new ATOM 0 HG3 ARG A 70 -5.951 1.681 -8.506 1.00 4.23 H new ATOM 0 HD2 ARG A 70 -5.343 4.054 -8.307 1.00 24.25 H new ATOM 0 HD3 ARG A 70 -3.827 3.771 -9.141 1.00 24.25 H new ATOM 0 HE ARG A 70 -4.963 3.608 -11.206 1.00 74.23 H new ATOM 0 HH11 ARG A 70 -7.194 3.871 -8.530 1.00 54.52 H new ATOM 0 HH12 ARG A 70 -8.557 4.275 -9.579 1.00 54.52 H new ATOM 0 HH21 ARG A 70 -6.684 4.135 -12.495 1.00 3.20 H new ATOM 0 HH22 ARG A 70 -8.273 4.421 -11.778 1.00 3.20 H new ATOM 1138 N ARG A 71 -6.286 0.968 -5.304 1.00 11.32 N ATOM 1139 CA ARG A 71 -7.652 0.545 -4.964 1.00 71.55 C ATOM 1140 C ARG A 71 -8.146 1.204 -3.668 1.00 34.04 C ATOM 1141 O ARG A 71 -9.341 1.445 -3.498 1.00 32.13 O ATOM 1142 CB ARG A 71 -7.728 -0.988 -4.845 1.00 1.21 C ATOM 1143 CG ARG A 71 -6.917 -1.573 -3.689 1.00 13.25 C ATOM 1144 CD ARG A 71 -6.910 -3.099 -3.720 1.00 31.32 C ATOM 1145 NE ARG A 71 -6.207 -3.677 -2.575 1.00 73.12 N ATOM 1146 CZ ARG A 71 -5.525 -4.788 -2.615 1.00 14.44 C ATOM 1147 NH1 ARG A 71 -5.327 -5.398 -3.737 1.00 53.52 N ATOM 1148 NH2 ARG A 71 -5.004 -5.256 -1.532 1.00 64.14 N ATOM 0 H ARG A 71 -5.566 0.276 -5.095 1.00 11.32 H new ATOM 0 HA ARG A 71 -8.306 0.872 -5.772 1.00 71.55 H new ATOM 0 HB2 ARG A 71 -8.771 -1.280 -4.725 1.00 1.21 H new ATOM 0 HB3 ARG A 71 -7.379 -1.430 -5.778 1.00 1.21 H new ATOM 0 HG2 ARG A 71 -5.893 -1.203 -3.739 1.00 13.25 H new ATOM 0 HG3 ARG A 71 -7.334 -1.230 -2.742 1.00 13.25 H new ATOM 0 HD2 ARG A 71 -7.937 -3.464 -3.734 1.00 31.32 H new ATOM 0 HD3 ARG A 71 -6.438 -3.439 -4.642 1.00 31.32 H new ATOM 0 HE ARG A 71 -6.253 -3.178 -1.686 1.00 73.12 H new ATOM 0 HH11 ARG A 71 -5.705 -5.011 -4.602 1.00 53.52 H new ATOM 0 HH12 ARG A 71 -4.792 -6.266 -3.758 1.00 53.52 H new ATOM 0 HH21 ARG A 71 -5.126 -4.758 -0.650 1.00 64.14 H new ATOM 0 HH22 ARG A 71 -4.470 -6.124 -1.557 1.00 64.14 H new ATOM 1162 N GLY A 72 -7.220 1.495 -2.759 1.00 25.10 N ATOM 1163 CA GLY A 72 -7.571 2.161 -1.511 1.00 64.01 C ATOM 1164 C GLY A 72 -8.000 3.610 -1.715 1.00 22.32 C ATOM 1165 O GLY A 72 -9.036 4.038 -1.209 1.00 72.01 O ATOM 0 H GLY A 72 -6.228 1.282 -2.863 1.00 25.10 H new ATOM 0 HA2 GLY A 72 -8.379 1.612 -1.026 1.00 64.01 H new ATOM 0 HA3 GLY A 72 -6.716 2.132 -0.836 1.00 64.01 H new ATOM 1169 N LYS A 73 -7.206 4.371 -2.472 1.00 40.00 N ATOM 1170 CA LYS A 73 -7.547 5.761 -2.787 1.00 61.22 C ATOM 1171 C LYS A 73 -8.794 5.819 -3.693 1.00 25.01 C ATOM 1172 O LYS A 73 -9.536 6.804 -3.688 1.00 23.13 O ATOM 1173 CB LYS A 73 -6.352 6.472 -3.450 1.00 51.24 C ATOM 1174 CG LYS A 73 -6.554 7.974 -3.658 1.00 24.04 C ATOM 1175 CD LYS A 73 -6.812 8.711 -2.340 1.00 73.52 C ATOM 1176 CE LYS A 73 -5.618 8.645 -1.387 1.00 30.42 C ATOM 1177 NZ LYS A 73 -4.418 9.319 -1.945 1.00 64.44 N ATOM 0 H LYS A 73 -6.326 4.050 -2.877 1.00 40.00 H new ATOM 0 HA LYS A 73 -7.779 6.281 -1.858 1.00 61.22 H new ATOM 0 HB2 LYS A 73 -5.465 6.318 -2.836 1.00 51.24 H new ATOM 0 HB3 LYS A 73 -6.156 6.006 -4.416 1.00 51.24 H new ATOM 0 HG2 LYS A 73 -5.672 8.394 -4.141 1.00 24.04 H new ATOM 0 HG3 LYS A 73 -7.394 8.136 -4.333 1.00 24.04 H new ATOM 0 HD2 LYS A 73 -7.047 9.754 -2.551 1.00 73.52 H new ATOM 0 HD3 LYS A 73 -7.686 8.280 -1.852 1.00 73.52 H new ATOM 0 HE2 LYS A 73 -5.886 9.110 -0.438 1.00 30.42 H new ATOM 0 HE3 LYS A 73 -5.382 7.602 -1.175 1.00 30.42 H new ATOM 0 HZ1 LYS A 73 -3.684 9.384 -1.211 1.00 64.44 H new ATOM 0 HZ2 LYS A 73 -4.055 8.770 -2.750 1.00 64.44 H new ATOM 0 HZ3 LYS A 73 -4.674 10.275 -2.265 1.00 64.44 H new