USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 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= -0.152 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.672! C(o=-0.82!,f=-5.8!) USER MOD Set 2.1: A 31 MET CE :methyl -163:sc= -0.0514 (180deg=-0.408) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc=-0.000608 (180deg=-0.0771) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.15 K(o=1.1,f=-0.093) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -116:sc= 0.913 (180deg=0.704) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.648 -6.441 1.273 1.00 11.44 N ATOM 350 CA ASP A 24 -7.323 -5.838 1.076 1.00 51.12 C ATOM 351 C ASP A 24 -6.331 -6.238 2.183 1.00 12.44 C ATOM 352 O ASP A 24 -5.122 -6.301 1.954 1.00 44.05 O ATOM 353 CB ASP A 24 -7.450 -4.317 0.983 1.00 62.41 C ATOM 354 CG ASP A 24 -8.228 -3.906 -0.253 1.00 1.33 C ATOM 355 OD1 ASP A 24 -7.617 -3.798 -1.337 1.00 30.21 O ATOM 356 OD2 ASP A 24 -9.463 -3.735 -0.155 1.00 54.42 O ATOM 0 HA ASP A 24 -6.920 -6.222 0.139 1.00 51.12 H new ATOM 0 HB2 ASP A 24 -7.950 -3.936 1.874 1.00 62.41 H new ATOM 0 HB3 ASP A 24 -6.457 -3.867 0.957 1.00 62.41 H new ATOM 361 N GLU A 25 -6.846 -6.529 3.373 1.00 30.45 N ATOM 362 CA GLU A 25 -6.004 -6.985 4.486 1.00 33.35 C ATOM 363 C GLU A 25 -5.455 -8.401 4.223 1.00 40.45 C ATOM 364 O GLU A 25 -4.393 -8.769 4.725 1.00 32.25 O ATOM 365 CB GLU A 25 -6.796 -6.936 5.804 1.00 15.04 C ATOM 366 CG GLU A 25 -7.207 -5.521 6.213 1.00 54.34 C ATOM 367 CD GLU A 25 -8.020 -5.481 7.500 1.00 40.21 C ATOM 368 OE1 GLU A 25 -7.437 -5.656 8.583 1.00 72.42 O ATOM 369 OE2 GLU A 25 -9.250 -5.278 7.427 1.00 51.01 O ATOM 0 H GLU A 25 -7.839 -6.459 3.597 1.00 30.45 H new ATOM 0 HA GLU A 25 -5.150 -6.313 4.570 1.00 33.35 H new ATOM 0 HB2 GLU A 25 -7.690 -7.552 5.705 1.00 15.04 H new ATOM 0 HB3 GLU A 25 -6.193 -7.375 6.598 1.00 15.04 H new ATOM 0 HG2 GLU A 25 -6.312 -4.911 6.337 1.00 54.34 H new ATOM 0 HG3 GLU A 25 -7.790 -5.072 5.409 1.00 54.34 H new ATOM 376 N ARG A 26 -6.172 -9.184 3.414 1.00 1.52 N ATOM 377 CA ARG A 26 -5.696 -10.511 2.994 1.00 30.14 C ATOM 378 C ARG A 26 -4.381 -10.408 2.203 1.00 41.34 C ATOM 379 O ARG A 26 -3.460 -11.199 2.406 1.00 14.44 O ATOM 380 CB ARG A 26 -6.752 -11.218 2.135 1.00 61.01 C ATOM 381 CG ARG A 26 -7.985 -11.674 2.907 1.00 23.21 C ATOM 382 CD ARG A 26 -7.657 -12.805 3.879 1.00 15.11 C ATOM 383 NE ARG A 26 -8.849 -13.331 4.542 1.00 22.55 N ATOM 384 CZ ARG A 26 -8.868 -14.416 5.273 1.00 63.25 C ATOM 385 NH1 ARG A 26 -7.810 -15.153 5.400 1.00 53.55 N ATOM 386 NH2 ARG A 26 -9.963 -14.769 5.861 1.00 52.22 N ATOM 0 H ARG A 26 -7.083 -8.926 3.035 1.00 1.52 H new ATOM 0 HA ARG A 26 -5.516 -11.093 3.898 1.00 30.14 H new ATOM 0 HB2 ARG A 26 -7.065 -10.544 1.338 1.00 61.01 H new ATOM 0 HB3 ARG A 26 -6.295 -12.085 1.658 1.00 61.01 H new ATOM 0 HG2 ARG A 26 -8.402 -10.831 3.457 1.00 23.21 H new ATOM 0 HG3 ARG A 26 -8.750 -12.007 2.206 1.00 23.21 H new ATOM 0 HD2 ARG A 26 -7.158 -13.611 3.340 1.00 15.11 H new ATOM 0 HD3 ARG A 26 -6.956 -12.443 4.631 1.00 15.11 H new ATOM 0 HE ARG A 26 -9.723 -12.818 4.427 1.00 22.55 H new ATOM 0 HH11 ARG A 26 -6.946 -14.890 4.926 1.00 53.55 H new ATOM 0 HH12 ARG A 26 -7.841 -15.996 5.974 1.00 53.55 H new ATOM 0 HH21 ARG A 26 -10.805 -14.203 5.754 1.00 52.22 H new ATOM 0 HH22 ARG A 26 -9.986 -15.614 6.432 1.00 52.22 H new ATOM 400 N ARG A 27 -4.304 -9.419 1.309 1.00 32.34 N ATOM 401 CA ARG A 27 -3.104 -9.206 0.486 1.00 72.05 C ATOM 402 C ARG A 27 -1.849 -9.022 1.357 1.00 1.54 C ATOM 403 O ARG A 27 -0.787 -9.576 1.061 1.00 30.11 O ATOM 404 CB ARG A 27 -3.275 -7.986 -0.442 1.00 73.12 C ATOM 405 CG ARG A 27 -4.233 -8.200 -1.618 1.00 53.21 C ATOM 406 CD ARG A 27 -5.697 -8.048 -1.223 1.00 73.12 C ATOM 407 NE ARG A 27 -6.593 -8.370 -2.331 1.00 52.54 N ATOM 408 CZ ARG A 27 -7.531 -7.584 -2.789 1.00 11.32 C ATOM 409 NH1 ARG A 27 -7.715 -6.399 -2.298 1.00 70.32 N ATOM 410 NH2 ARG A 27 -8.278 -7.989 -3.760 1.00 3.11 N ATOM 0 H ARG A 27 -5.056 -8.752 1.134 1.00 32.34 H new ATOM 0 HA ARG A 27 -2.974 -10.099 -0.125 1.00 72.05 H new ATOM 0 HB2 ARG A 27 -3.633 -7.144 0.151 1.00 73.12 H new ATOM 0 HB3 ARG A 27 -2.297 -7.707 -0.835 1.00 73.12 H new ATOM 0 HG2 ARG A 27 -3.998 -7.485 -2.407 1.00 53.21 H new ATOM 0 HG3 ARG A 27 -4.075 -9.195 -2.033 1.00 53.21 H new ATOM 0 HD2 ARG A 27 -5.915 -8.700 -0.377 1.00 73.12 H new ATOM 0 HD3 ARG A 27 -5.880 -7.026 -0.892 1.00 73.12 H new ATOM 0 HE ARG A 27 -6.478 -9.278 -2.782 1.00 52.54 H new ATOM 0 HH11 ARG A 27 -7.122 -6.064 -1.539 1.00 70.32 H new ATOM 0 HH12 ARG A 27 -8.453 -5.802 -2.670 1.00 70.32 H new ATOM 0 HH21 ARG A 27 -8.133 -8.915 -4.163 1.00 3.11 H new ATOM 0 HH22 ARG A 27 -9.013 -7.383 -4.125 1.00 3.11 H new ATOM 424 N ALA A 28 -1.986 -8.251 2.434 1.00 62.15 N ATOM 425 CA ALA A 28 -0.868 -7.964 3.336 1.00 61.21 C ATOM 426 C ALA A 28 -0.350 -9.233 4.032 1.00 31.45 C ATOM 427 O ALA A 28 0.822 -9.590 3.901 1.00 13.03 O ATOM 428 CB ALA A 28 -1.289 -6.925 4.372 1.00 73.35 C ATOM 0 H ALA A 28 -2.865 -7.811 2.706 1.00 62.15 H new ATOM 0 HA ALA A 28 -0.050 -7.567 2.735 1.00 61.21 H new ATOM 0 HB1 ALA A 28 -0.453 -6.717 5.039 1.00 73.35 H new ATOM 0 HB2 ALA A 28 -1.587 -6.007 3.866 1.00 73.35 H new ATOM 0 HB3 ALA A 28 -2.129 -7.309 4.952 1.00 73.35 H new ATOM 434 N LEU A 29 -1.234 -9.919 4.758 1.00 73.22 N ATOM 435 CA LEU A 29 -0.848 -11.113 5.523 1.00 1.23 C ATOM 436 C LEU A 29 -0.399 -12.273 4.610 1.00 73.53 C ATOM 437 O LEU A 29 0.487 -13.049 4.975 1.00 60.35 O ATOM 438 CB LEU A 29 -2.003 -11.547 6.450 1.00 25.24 C ATOM 439 CG LEU A 29 -3.363 -11.823 5.767 1.00 63.53 C ATOM 440 CD1 LEU A 29 -3.453 -13.258 5.245 1.00 55.31 C ATOM 441 CD2 LEU A 29 -4.515 -11.522 6.718 1.00 11.32 C ATOM 0 H LEU A 29 -2.221 -9.672 4.834 1.00 73.22 H new ATOM 0 HA LEU A 29 0.014 -10.849 6.135 1.00 1.23 H new ATOM 0 HB2 LEU A 29 -1.696 -12.449 6.979 1.00 25.24 H new ATOM 0 HB3 LEU A 29 -2.149 -10.771 7.201 1.00 25.24 H new ATOM 0 HG LEU A 29 -3.439 -11.156 4.908 1.00 63.53 H new ATOM 0 HD11 LEU A 29 -4.423 -13.413 4.772 1.00 55.31 H new ATOM 0 HD12 LEU A 29 -2.662 -13.430 4.515 1.00 55.31 H new ATOM 0 HD13 LEU A 29 -3.339 -13.955 6.075 1.00 55.31 H new ATOM 0 HD21 LEU A 29 -5.462 -11.723 6.217 1.00 11.32 H new ATOM 0 HD22 LEU A 29 -4.431 -12.153 7.603 1.00 11.32 H new ATOM 0 HD23 LEU A 29 -4.477 -10.474 7.015 1.00 11.32 H new ATOM 453 N ALA A 30 -0.999 -12.377 3.422 1.00 75.41 N ATOM 454 CA ALA A 30 -0.639 -13.429 2.460 1.00 31.04 C ATOM 455 C ALA A 30 0.801 -13.259 1.948 1.00 22.22 C ATOM 456 O ALA A 30 1.575 -14.217 1.906 1.00 32.25 O ATOM 457 CB ALA A 30 -1.621 -13.441 1.291 1.00 43.04 C ATOM 0 H ALA A 30 -1.735 -11.748 3.101 1.00 75.41 H new ATOM 0 HA ALA A 30 -0.696 -14.386 2.979 1.00 31.04 H new ATOM 0 HB1 ALA A 30 -1.340 -14.225 0.588 1.00 43.04 H new ATOM 0 HB2 ALA A 30 -2.628 -13.631 1.663 1.00 43.04 H new ATOM 0 HB3 ALA A 30 -1.597 -12.475 0.786 1.00 43.04 H new ATOM 463 N MET A 31 1.153 -12.033 1.566 1.00 35.25 N ATOM 464 CA MET A 31 2.510 -11.726 1.088 1.00 44.35 C ATOM 465 C MET A 31 3.445 -11.327 2.244 1.00 61.54 C ATOM 466 O MET A 31 4.598 -10.957 2.016 1.00 5.12 O ATOM 467 CB MET A 31 2.457 -10.610 0.035 1.00 24.15 C ATOM 468 CG MET A 31 1.697 -11.001 -1.226 1.00 2.23 C ATOM 469 SD MET A 31 2.521 -12.301 -2.173 1.00 34.24 S ATOM 470 CE MET A 31 3.979 -11.435 -2.752 1.00 74.32 C ATOM 0 H MET A 31 0.521 -11.232 1.576 1.00 35.25 H new ATOM 0 HA MET A 31 2.916 -12.630 0.635 1.00 44.35 H new ATOM 0 HB2 MET A 31 1.988 -9.729 0.474 1.00 24.15 H new ATOM 0 HB3 MET A 31 3.474 -10.328 -0.236 1.00 24.15 H new ATOM 0 HG2 MET A 31 0.697 -11.337 -0.951 1.00 2.23 H new ATOM 0 HG3 MET A 31 1.575 -10.121 -1.858 1.00 2.23 H new ATOM 0 HE1 MET A 31 4.426 -11.987 -3.579 1.00 74.32 H new ATOM 0 HE2 MET A 31 3.699 -10.438 -3.091 1.00 74.32 H new ATOM 0 HE3 MET A 31 4.700 -11.353 -1.939 1.00 74.32 H new ATOM 480 N LYS A 32 2.934 -11.403 3.479 1.00 23.12 N ATOM 481 CA LYS A 32 3.725 -11.125 4.688 1.00 11.35 C ATOM 482 C LYS A 32 4.250 -9.677 4.732 1.00 40.00 C ATOM 483 O LYS A 32 5.304 -9.411 5.316 1.00 23.33 O ATOM 484 CB LYS A 32 4.898 -12.124 4.802 1.00 40.32 C ATOM 485 CG LYS A 32 4.484 -13.587 5.016 1.00 50.43 C ATOM 486 CD LYS A 32 4.222 -13.927 6.493 1.00 72.34 C ATOM 487 CE LYS A 32 2.909 -13.347 7.020 1.00 32.03 C ATOM 488 NZ LYS A 32 2.675 -13.700 8.445 1.00 31.53 N ATOM 0 H LYS A 32 1.965 -11.658 3.670 1.00 23.12 H new ATOM 0 HA LYS A 32 3.058 -11.249 5.541 1.00 11.35 H new ATOM 0 HB2 LYS A 32 5.499 -12.061 3.895 1.00 40.32 H new ATOM 0 HB3 LYS A 32 5.537 -11.818 5.630 1.00 40.32 H new ATOM 0 HG2 LYS A 32 3.584 -13.793 4.436 1.00 50.43 H new ATOM 0 HG3 LYS A 32 5.267 -14.241 4.632 1.00 50.43 H new ATOM 0 HD2 LYS A 32 4.207 -15.010 6.613 1.00 72.34 H new ATOM 0 HD3 LYS A 32 5.047 -13.550 7.098 1.00 72.34 H new ATOM 0 HE2 LYS A 32 2.923 -12.262 6.913 1.00 32.03 H new ATOM 0 HE3 LYS A 32 2.081 -13.716 6.415 1.00 32.03 H new ATOM 0 HZ1 LYS A 32 1.775 -13.287 8.762 1.00 31.53 H new ATOM 0 HZ2 LYS A 32 2.635 -14.734 8.544 1.00 31.53 H new ATOM 0 HZ3 LYS A 32 3.451 -13.326 9.027 1.00 31.53 H new ATOM 502 N ILE A 33 3.492 -8.746 4.146 1.00 75.53 N ATOM 503 CA ILE A 33 3.859 -7.320 4.141 1.00 75.44 C ATOM 504 C ILE A 33 4.033 -6.782 5.579 1.00 1.43 C ATOM 505 O ILE A 33 3.078 -6.753 6.355 1.00 60.00 O ATOM 506 CB ILE A 33 2.789 -6.470 3.401 1.00 53.41 C ATOM 507 CG1 ILE A 33 2.608 -6.966 1.953 1.00 63.13 C ATOM 508 CG2 ILE A 33 3.154 -4.986 3.420 1.00 42.20 C ATOM 509 CD1 ILE A 33 3.855 -6.851 1.098 1.00 54.33 C ATOM 0 H ILE A 33 2.616 -8.952 3.666 1.00 75.53 H new ATOM 0 HA ILE A 33 4.809 -7.236 3.614 1.00 75.44 H new ATOM 0 HB ILE A 33 1.842 -6.589 3.928 1.00 53.41 H new ATOM 0 HG12 ILE A 33 2.290 -8.008 1.975 1.00 63.13 H new ATOM 0 HG13 ILE A 33 1.805 -6.398 1.484 1.00 63.13 H new ATOM 0 HG21 ILE A 33 2.387 -4.416 2.895 1.00 42.20 H new ATOM 0 HG22 ILE A 33 3.220 -4.641 4.452 1.00 42.20 H new ATOM 0 HG23 ILE A 33 4.115 -4.841 2.927 1.00 42.20 H new ATOM 0 HD11 ILE A 33 3.644 -7.221 0.095 1.00 54.33 H new ATOM 0 HD12 ILE A 33 4.163 -5.807 1.043 1.00 54.33 H new ATOM 0 HD13 ILE A 33 4.656 -7.443 1.541 1.00 54.33 H new ATOM 521 N PRO A 34 5.253 -6.331 5.949 1.00 50.21 N ATOM 522 CA PRO A 34 5.580 -5.937 7.341 1.00 22.22 C ATOM 523 C PRO A 34 4.949 -4.602 7.804 1.00 61.25 C ATOM 524 O PRO A 34 5.334 -4.061 8.846 1.00 41.03 O ATOM 525 CB PRO A 34 7.111 -5.822 7.305 1.00 1.50 C ATOM 526 CG PRO A 34 7.419 -5.440 5.898 1.00 33.45 C ATOM 527 CD PRO A 34 6.417 -6.178 5.049 1.00 73.40 C ATOM 0 HA PRO A 34 5.183 -6.660 8.054 1.00 22.22 H new ATOM 0 HB2 PRO A 34 7.470 -5.071 8.009 1.00 1.50 H new ATOM 0 HB3 PRO A 34 7.587 -6.765 7.574 1.00 1.50 H new ATOM 0 HG2 PRO A 34 7.334 -4.363 5.757 1.00 33.45 H new ATOM 0 HG3 PRO A 34 8.439 -5.717 5.631 1.00 33.45 H new ATOM 0 HD2 PRO A 34 6.160 -5.616 4.151 1.00 73.40 H new ATOM 0 HD3 PRO A 34 6.802 -7.144 4.721 1.00 73.40 H new ATOM 535 N PHE A 35 3.987 -4.078 7.047 1.00 30.14 N ATOM 536 CA PHE A 35 3.300 -2.828 7.416 1.00 50.33 C ATOM 537 C PHE A 35 1.818 -2.852 6.994 1.00 12.32 C ATOM 538 O PHE A 35 1.454 -3.490 6.005 1.00 1.43 O ATOM 539 CB PHE A 35 4.034 -1.609 6.821 1.00 44.45 C ATOM 540 CG PHE A 35 4.310 -1.700 5.342 1.00 61.51 C ATOM 541 CD1 PHE A 35 5.459 -2.324 4.879 1.00 23.23 C ATOM 542 CD2 PHE A 35 3.433 -1.154 4.417 1.00 25.22 C ATOM 543 CE1 PHE A 35 5.724 -2.404 3.526 1.00 61.13 C ATOM 544 CE2 PHE A 35 3.694 -1.231 3.064 1.00 73.21 C ATOM 545 CZ PHE A 35 4.840 -1.855 2.619 1.00 4.35 C ATOM 0 H PHE A 35 3.661 -4.494 6.174 1.00 30.14 H new ATOM 0 HA PHE A 35 3.323 -2.740 8.502 1.00 50.33 H new ATOM 0 HB2 PHE A 35 3.439 -0.716 7.011 1.00 44.45 H new ATOM 0 HB3 PHE A 35 4.980 -1.480 7.346 1.00 44.45 H new ATOM 0 HD1 PHE A 35 6.155 -2.752 5.585 1.00 23.23 H new ATOM 0 HD2 PHE A 35 2.535 -0.662 4.760 1.00 25.22 H new ATOM 0 HE1 PHE A 35 6.621 -2.895 3.178 1.00 61.13 H new ATOM 0 HE2 PHE A 35 3.001 -0.803 2.355 1.00 73.21 H new ATOM 0 HZ PHE A 35 5.046 -1.914 1.561 1.00 4.35 H new ATOM 555 N PRO A 36 0.941 -2.158 7.753 1.00 44.03 N ATOM 556 CA PRO A 36 -0.519 -2.231 7.557 1.00 2.40 C ATOM 557 C PRO A 36 -1.033 -1.460 6.327 1.00 25.42 C ATOM 558 O PRO A 36 -0.418 -0.494 5.869 1.00 64.43 O ATOM 559 CB PRO A 36 -1.064 -1.608 8.846 1.00 42.14 C ATOM 560 CG PRO A 36 -0.019 -0.626 9.251 1.00 1.32 C ATOM 561 CD PRO A 36 1.299 -1.245 8.862 1.00 61.13 C ATOM 0 HA PRO A 36 -0.841 -3.255 7.369 1.00 2.40 H new ATOM 0 HB2 PRO A 36 -2.024 -1.120 8.677 1.00 42.14 H new ATOM 0 HB3 PRO A 36 -1.221 -2.362 9.617 1.00 42.14 H new ATOM 0 HG2 PRO A 36 -0.165 0.330 8.749 1.00 1.32 H new ATOM 0 HG3 PRO A 36 -0.059 -0.432 10.323 1.00 1.32 H new ATOM 0 HD2 PRO A 36 2.018 -0.490 8.544 1.00 61.13 H new ATOM 0 HD3 PRO A 36 1.750 -1.784 9.695 1.00 61.13 H new ATOM 569 N THR A 37 -2.193 -1.890 5.821 1.00 50.12 N ATOM 570 CA THR A 37 -2.821 -1.284 4.634 1.00 63.04 C ATOM 571 C THR A 37 -3.289 0.154 4.895 1.00 73.14 C ATOM 572 O THR A 37 -3.137 1.031 4.042 1.00 31.43 O ATOM 573 CB THR A 37 -4.040 -2.114 4.165 1.00 60.31 C ATOM 574 OG1 THR A 37 -5.031 -2.157 5.205 1.00 72.23 O ATOM 575 CG2 THR A 37 -3.625 -3.536 3.796 1.00 3.12 C ATOM 0 H THR A 37 -2.725 -2.665 6.218 1.00 50.12 H new ATOM 0 HA THR A 37 -2.054 -1.272 3.860 1.00 63.04 H new ATOM 0 HB THR A 37 -4.457 -1.635 3.280 1.00 60.31 H new ATOM 0 HG1 THR A 37 -5.801 -2.682 4.902 1.00 72.23 H new ATOM 0 HG21 THR A 37 -4.500 -4.097 3.470 1.00 3.12 H new ATOM 0 HG22 THR A 37 -2.893 -3.504 2.989 1.00 3.12 H new ATOM 0 HG23 THR A 37 -3.184 -4.024 4.666 1.00 3.12 H new ATOM 583 N ASP A 38 -3.871 0.382 6.072 1.00 70.21 N ATOM 584 CA ASP A 38 -4.346 1.713 6.475 1.00 4.54 C ATOM 585 C ASP A 38 -3.261 2.788 6.291 1.00 11.14 C ATOM 586 O ASP A 38 -3.516 3.855 5.721 1.00 4.24 O ATOM 587 CB ASP A 38 -4.825 1.672 7.931 1.00 53.31 C ATOM 588 CG ASP A 38 -3.919 0.826 8.812 1.00 15.25 C ATOM 589 OD1 ASP A 38 -2.885 1.338 9.282 1.00 41.41 O ATOM 590 OD2 ASP A 38 -4.238 -0.367 9.021 1.00 14.35 O ATOM 0 H ASP A 38 -4.028 -0.343 6.772 1.00 70.21 H new ATOM 0 HA ASP A 38 -5.180 1.985 5.828 1.00 4.54 H new ATOM 0 HB2 ASP A 38 -4.868 2.687 8.326 1.00 53.31 H new ATOM 0 HB3 ASP A 38 -5.839 1.273 7.967 1.00 53.31 H new ATOM 595 N LYS A 39 -2.058 2.501 6.776 1.00 2.20 N ATOM 596 CA LYS A 39 -0.906 3.385 6.578 1.00 42.52 C ATOM 597 C LYS A 39 -0.689 3.687 5.086 1.00 34.24 C ATOM 598 O LYS A 39 -0.616 4.847 4.680 1.00 44.51 O ATOM 599 CB LYS A 39 0.354 2.734 7.164 1.00 35.21 C ATOM 600 CG LYS A 39 1.616 3.581 7.009 1.00 70.14 C ATOM 601 CD LYS A 39 2.864 2.833 7.468 1.00 11.44 C ATOM 602 CE LYS A 39 2.795 2.445 8.939 1.00 23.14 C ATOM 603 NZ LYS A 39 2.711 3.628 9.833 1.00 63.22 N ATOM 0 H LYS A 39 -1.851 1.659 7.313 1.00 2.20 H new ATOM 0 HA LYS A 39 -1.105 4.326 7.091 1.00 42.52 H new ATOM 0 HB2 LYS A 39 0.189 2.535 8.223 1.00 35.21 H new ATOM 0 HB3 LYS A 39 0.513 1.771 6.679 1.00 35.21 H new ATOM 0 HG2 LYS A 39 1.731 3.873 5.965 1.00 70.14 H new ATOM 0 HG3 LYS A 39 1.510 4.499 7.587 1.00 70.14 H new ATOM 0 HD2 LYS A 39 2.990 1.935 6.863 1.00 11.44 H new ATOM 0 HD3 LYS A 39 3.742 3.457 7.300 1.00 11.44 H new ATOM 0 HE2 LYS A 39 1.927 1.806 9.103 1.00 23.14 H new ATOM 0 HE3 LYS A 39 3.676 1.858 9.199 1.00 23.14 H new ATOM 0 HZ1 LYS A 39 2.803 3.322 10.823 1.00 63.22 H new ATOM 0 HZ2 LYS A 39 3.478 4.292 9.603 1.00 63.22 H new ATOM 0 HZ3 LYS A 39 1.794 4.099 9.700 1.00 63.22 H new ATOM 617 N ILE A 40 -0.614 2.624 4.281 1.00 32.34 N ATOM 618 CA ILE A 40 -0.360 2.732 2.836 1.00 3.41 C ATOM 619 C ILE A 40 -1.317 3.721 2.147 1.00 52.30 C ATOM 620 O ILE A 40 -0.916 4.482 1.266 1.00 3.10 O ATOM 621 CB ILE A 40 -0.501 1.348 2.145 1.00 62.05 C ATOM 622 CG1 ILE A 40 0.397 0.304 2.829 1.00 54.53 C ATOM 623 CG2 ILE A 40 -0.166 1.449 0.657 1.00 51.12 C ATOM 624 CD1 ILE A 40 0.230 -1.099 2.277 1.00 44.03 C ATOM 0 H ILE A 40 -0.727 1.665 4.609 1.00 32.34 H new ATOM 0 HA ILE A 40 0.660 3.103 2.733 1.00 3.41 H new ATOM 0 HB ILE A 40 -1.538 1.026 2.242 1.00 62.05 H new ATOM 0 HG12 ILE A 40 1.439 0.606 2.720 1.00 54.53 H new ATOM 0 HG13 ILE A 40 0.178 0.293 3.897 1.00 54.53 H new ATOM 0 HG21 ILE A 40 -0.271 0.468 0.193 1.00 51.12 H new ATOM 0 HG22 ILE A 40 -0.847 2.152 0.178 1.00 51.12 H new ATOM 0 HG23 ILE A 40 0.860 1.799 0.538 1.00 51.12 H new ATOM 0 HD11 ILE A 40 0.895 -1.780 2.808 1.00 44.03 H new ATOM 0 HD12 ILE A 40 -0.802 -1.422 2.410 1.00 44.03 H new ATOM 0 HD13 ILE A 40 0.477 -1.104 1.215 1.00 44.03 H new ATOM 636 N VAL A 41 -2.584 3.695 2.549 1.00 43.42 N ATOM 637 CA VAL A 41 -3.610 4.550 1.941 1.00 2.12 C ATOM 638 C VAL A 41 -3.494 6.017 2.393 1.00 1.41 C ATOM 639 O VAL A 41 -3.570 6.938 1.574 1.00 25.24 O ATOM 640 CB VAL A 41 -5.032 4.031 2.271 1.00 2.32 C ATOM 641 CG1 VAL A 41 -6.100 4.914 1.632 1.00 65.23 C ATOM 642 CG2 VAL A 41 -5.193 2.578 1.828 1.00 61.14 C ATOM 0 H VAL A 41 -2.930 3.091 3.295 1.00 43.42 H new ATOM 0 HA VAL A 41 -3.443 4.509 0.865 1.00 2.12 H new ATOM 0 HB VAL A 41 -5.164 4.075 3.352 1.00 2.32 H new ATOM 0 HG11 VAL A 41 -7.088 4.527 1.880 1.00 65.23 H new ATOM 0 HG12 VAL A 41 -6.004 5.932 2.009 1.00 65.23 H new ATOM 0 HG13 VAL A 41 -5.972 4.915 0.550 1.00 65.23 H new ATOM 0 HG21 VAL A 41 -6.199 2.233 2.069 1.00 61.14 H new ATOM 0 HG22 VAL A 41 -5.033 2.506 0.752 1.00 61.14 H new ATOM 0 HG23 VAL A 41 -4.463 1.957 2.346 1.00 61.14 H new ATOM 652 N ASN A 42 -3.305 6.231 3.694 1.00 61.45 N ATOM 653 CA ASN A 42 -3.280 7.588 4.257 1.00 45.24 C ATOM 654 C ASN A 42 -1.953 8.322 3.993 1.00 20.33 C ATOM 655 O ASN A 42 -1.896 9.552 4.086 1.00 52.03 O ATOM 656 CB ASN A 42 -3.579 7.556 5.763 1.00 1.00 C ATOM 657 CG ASN A 42 -5.031 7.212 6.055 1.00 13.35 C ATOM 658 OD1 ASN A 42 -5.890 8.086 6.129 1.00 43.30 O ATOM 659 ND2 ASN A 42 -5.320 5.940 6.226 1.00 72.13 N ATOM 0 H ASN A 42 -3.167 5.488 4.379 1.00 61.45 H new ATOM 0 HA ASN A 42 -4.061 8.150 3.745 1.00 45.24 H new ATOM 0 HB2 ASN A 42 -2.930 6.824 6.245 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -3.343 8.527 6.199 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -6.279 5.657 6.426 1.00 72.13 H new ATOM 0 HD22 ASN A 42 -4.585 5.236 6.158 1.00 72.13 H new ATOM 666 N LEU A 43 -0.888 7.586 3.677 1.00 75.35 N ATOM 667 CA LEU A 43 0.398 8.214 3.342 1.00 23.44 C ATOM 668 C LEU A 43 0.353 8.892 1.961 1.00 23.24 C ATOM 669 O LEU A 43 -0.094 8.297 0.976 1.00 71.54 O ATOM 670 CB LEU A 43 1.546 7.192 3.368 1.00 32.32 C ATOM 671 CG LEU A 43 1.922 6.630 4.750 1.00 71.11 C ATOM 672 CD1 LEU A 43 3.169 5.754 4.647 1.00 72.44 C ATOM 673 CD2 LEU A 43 2.136 7.752 5.765 1.00 24.13 C ATOM 0 H LEU A 43 -0.885 6.567 3.645 1.00 75.35 H new ATOM 0 HA LEU A 43 0.581 8.973 4.102 1.00 23.44 H new ATOM 0 HB2 LEU A 43 1.277 6.358 2.720 1.00 32.32 H new ATOM 0 HB3 LEU A 43 2.431 7.659 2.935 1.00 32.32 H new ATOM 0 HG LEU A 43 1.092 6.017 5.101 1.00 71.11 H new ATOM 0 HD11 LEU A 43 3.422 5.364 5.633 1.00 72.44 H new ATOM 0 HD12 LEU A 43 2.976 4.924 3.967 1.00 72.44 H new ATOM 0 HD13 LEU A 43 4.000 6.348 4.267 1.00 72.44 H new ATOM 0 HD21 LEU A 43 2.400 7.323 6.731 1.00 24.13 H new ATOM 0 HD22 LEU A 43 2.942 8.402 5.424 1.00 24.13 H new ATOM 0 HD23 LEU A 43 1.219 8.332 5.865 1.00 24.13 H new ATOM 685 N PRO A 44 0.808 10.156 1.868 1.00 21.45 N ATOM 686 CA PRO A 44 0.942 10.848 0.577 1.00 32.11 C ATOM 687 C PRO A 44 2.050 10.222 -0.291 1.00 23.51 C ATOM 688 O PRO A 44 2.887 9.467 0.209 1.00 11.01 O ATOM 689 CB PRO A 44 1.304 12.285 0.977 1.00 5.52 C ATOM 690 CG PRO A 44 1.921 12.163 2.329 1.00 50.23 C ATOM 691 CD PRO A 44 1.221 11.009 3.001 1.00 20.12 C ATOM 0 HA PRO A 44 0.036 10.786 -0.026 1.00 32.11 H new ATOM 0 HB2 PRO A 44 1.998 12.730 0.265 1.00 5.52 H new ATOM 0 HB3 PRO A 44 0.420 12.923 1.002 1.00 5.52 H new ATOM 0 HG2 PRO A 44 2.993 11.979 2.254 1.00 50.23 H new ATOM 0 HG3 PRO A 44 1.794 13.083 2.900 1.00 50.23 H new ATOM 0 HD2 PRO A 44 1.885 10.478 3.683 1.00 20.12 H new ATOM 0 HD3 PRO A 44 0.364 11.344 3.586 1.00 20.12 H new ATOM 699 N VAL A 45 2.063 10.548 -1.585 1.00 74.44 N ATOM 700 CA VAL A 45 3.025 9.947 -2.529 1.00 31.22 C ATOM 701 C VAL A 45 4.481 10.032 -2.016 1.00 22.23 C ATOM 702 O VAL A 45 5.264 9.100 -2.196 1.00 41.44 O ATOM 703 CB VAL A 45 2.917 10.594 -3.937 1.00 11.04 C ATOM 704 CG1 VAL A 45 3.176 12.099 -3.876 1.00 72.13 C ATOM 705 CG2 VAL A 45 3.863 9.916 -4.929 1.00 73.43 C ATOM 0 H VAL A 45 1.424 11.221 -2.008 1.00 74.44 H new ATOM 0 HA VAL A 45 2.761 8.892 -2.607 1.00 31.22 H new ATOM 0 HB VAL A 45 1.897 10.445 -4.291 1.00 11.04 H new ATOM 0 HG11 VAL A 45 3.093 12.523 -4.877 1.00 72.13 H new ATOM 0 HG12 VAL A 45 2.442 12.568 -3.221 1.00 72.13 H new ATOM 0 HG13 VAL A 45 4.178 12.280 -3.487 1.00 72.13 H new ATOM 0 HG21 VAL A 45 3.766 10.389 -5.906 1.00 73.43 H new ATOM 0 HG22 VAL A 45 4.890 10.015 -4.578 1.00 73.43 H new ATOM 0 HG23 VAL A 45 3.608 8.859 -5.011 1.00 73.43 H new ATOM 715 N ASP A 46 4.825 11.140 -1.360 1.00 12.34 N ATOM 716 CA ASP A 46 6.161 11.317 -0.773 1.00 24.11 C ATOM 717 C ASP A 46 6.484 10.208 0.248 1.00 41.34 C ATOM 718 O ASP A 46 7.388 9.395 0.035 1.00 63.14 O ATOM 719 CB ASP A 46 6.250 12.692 -0.101 1.00 53.33 C ATOM 720 CG ASP A 46 6.044 13.827 -1.083 1.00 1.35 C ATOM 721 OD1 ASP A 46 4.894 14.032 -1.528 1.00 23.15 O ATOM 722 OD2 ASP A 46 7.028 14.515 -1.426 1.00 14.54 O ATOM 0 H ASP A 46 4.198 11.932 -1.219 1.00 12.34 H new ATOM 0 HA ASP A 46 6.895 11.252 -1.576 1.00 24.11 H new ATOM 0 HB2 ASP A 46 5.501 12.757 0.688 1.00 53.33 H new ATOM 0 HB3 ASP A 46 7.225 12.799 0.375 1.00 53.33 H new ATOM 727 N ASP A 47 5.718 10.158 1.340 1.00 21.11 N ATOM 728 CA ASP A 47 5.922 9.146 2.384 1.00 11.34 C ATOM 729 C ASP A 47 5.748 7.717 1.837 1.00 13.02 C ATOM 730 O ASP A 47 6.353 6.777 2.345 1.00 4.14 O ATOM 731 CB ASP A 47 4.955 9.382 3.546 1.00 15.44 C ATOM 732 CG ASP A 47 5.237 10.683 4.274 1.00 11.30 C ATOM 733 OD1 ASP A 47 6.041 10.674 5.231 1.00 40.25 O ATOM 734 OD2 ASP A 47 4.660 11.722 3.898 1.00 33.03 O ATOM 0 H ASP A 47 4.951 10.805 1.526 1.00 21.11 H new ATOM 0 HA ASP A 47 6.948 9.244 2.740 1.00 11.34 H new ATOM 0 HB2 ASP A 47 3.933 9.394 3.168 1.00 15.44 H new ATOM 0 HB3 ASP A 47 5.026 8.552 4.249 1.00 15.44 H new ATOM 739 N PHE A 48 4.924 7.568 0.798 1.00 51.31 N ATOM 740 CA PHE A 48 4.695 6.262 0.163 1.00 34.43 C ATOM 741 C PHE A 48 5.996 5.680 -0.415 1.00 35.11 C ATOM 742 O PHE A 48 6.416 4.578 -0.051 1.00 3.32 O ATOM 743 CB PHE A 48 3.637 6.395 -0.944 1.00 32.53 C ATOM 744 CG PHE A 48 3.342 5.101 -1.669 1.00 3.20 C ATOM 745 CD1 PHE A 48 2.489 4.159 -1.113 1.00 62.31 C ATOM 746 CD2 PHE A 48 3.920 4.831 -2.902 1.00 52.24 C ATOM 747 CE1 PHE A 48 2.220 2.976 -1.773 1.00 31.55 C ATOM 748 CE2 PHE A 48 3.651 3.648 -3.565 1.00 44.23 C ATOM 749 CZ PHE A 48 2.801 2.719 -2.999 1.00 53.12 C ATOM 0 H PHE A 48 4.402 8.335 0.375 1.00 51.31 H new ATOM 0 HA PHE A 48 4.334 5.575 0.928 1.00 34.43 H new ATOM 0 HB2 PHE A 48 2.713 6.774 -0.506 1.00 32.53 H new ATOM 0 HB3 PHE A 48 3.974 7.137 -1.668 1.00 32.53 H new ATOM 0 HD1 PHE A 48 2.031 4.353 -0.154 1.00 62.31 H new ATOM 0 HD2 PHE A 48 4.587 5.553 -3.348 1.00 52.24 H new ATOM 0 HE1 PHE A 48 1.554 2.251 -1.329 1.00 31.55 H new ATOM 0 HE2 PHE A 48 4.105 3.451 -4.525 1.00 44.23 H new ATOM 0 HZ PHE A 48 2.591 1.793 -3.514 1.00 53.12 H new ATOM 759 N ASN A 49 6.632 6.427 -1.318 1.00 71.40 N ATOM 760 CA ASN A 49 7.883 5.975 -1.947 1.00 31.33 C ATOM 761 C ASN A 49 9.015 5.822 -0.917 1.00 52.11 C ATOM 762 O ASN A 49 9.876 4.947 -1.054 1.00 44.05 O ATOM 763 CB ASN A 49 8.309 6.935 -3.064 1.00 34.50 C ATOM 764 CG ASN A 49 7.364 6.892 -4.254 1.00 73.31 C ATOM 765 OD1 ASN A 49 7.522 6.084 -5.164 1.00 45.04 O ATOM 766 ND2 ASN A 49 6.382 7.766 -4.271 1.00 55.05 N ATOM 0 H ASN A 49 6.308 7.342 -1.632 1.00 71.40 H new ATOM 0 HA ASN A 49 7.690 4.994 -2.381 1.00 31.33 H new ATOM 0 HB2 ASN A 49 8.349 7.951 -2.671 1.00 34.50 H new ATOM 0 HB3 ASN A 49 9.316 6.681 -3.394 1.00 34.50 H new ATOM 0 HD21 ASN A 49 5.728 7.784 -5.054 1.00 55.05 H new ATOM 0 HD22 ASN A 49 6.274 8.426 -3.501 1.00 55.05 H new ATOM 773 N GLU A 50 9.024 6.679 0.102 1.00 21.14 N ATOM 774 CA GLU A 50 9.984 6.557 1.207 1.00 71.44 C ATOM 775 C GLU A 50 9.689 5.319 2.078 1.00 3.43 C ATOM 776 O GLU A 50 10.606 4.661 2.567 1.00 71.31 O ATOM 777 CB GLU A 50 9.985 7.838 2.063 1.00 11.32 C ATOM 778 CG GLU A 50 10.975 8.907 1.593 1.00 10.42 C ATOM 779 CD GLU A 50 10.714 9.423 0.181 1.00 12.53 C ATOM 780 OE1 GLU A 50 11.125 8.754 -0.794 1.00 41.34 O ATOM 781 OE2 GLU A 50 10.123 10.515 0.039 1.00 23.35 O ATOM 0 H GLU A 50 8.380 7.465 0.189 1.00 21.14 H new ATOM 0 HA GLU A 50 10.976 6.426 0.775 1.00 71.44 H new ATOM 0 HB2 GLU A 50 8.981 8.263 2.062 1.00 11.32 H new ATOM 0 HB3 GLU A 50 10.217 7.572 3.094 1.00 11.32 H new ATOM 0 HG2 GLU A 50 10.942 9.747 2.287 1.00 10.42 H new ATOM 0 HG3 GLU A 50 11.984 8.497 1.637 1.00 10.42 H new ATOM 788 N LEU A 51 8.407 4.998 2.253 1.00 74.52 N ATOM 789 CA LEU A 51 7.995 3.799 3.001 1.00 23.15 C ATOM 790 C LEU A 51 8.580 2.527 2.366 1.00 31.44 C ATOM 791 O LEU A 51 9.059 1.628 3.063 1.00 51.43 O ATOM 792 CB LEU A 51 6.462 3.701 3.039 1.00 53.43 C ATOM 793 CG LEU A 51 5.887 2.522 3.844 1.00 12.02 C ATOM 794 CD1 LEU A 51 6.214 2.667 5.328 1.00 50.44 C ATOM 795 CD2 LEU A 51 4.378 2.410 3.637 1.00 42.24 C ATOM 0 H LEU A 51 7.631 5.550 1.888 1.00 74.52 H new ATOM 0 HA LEU A 51 8.378 3.886 4.018 1.00 23.15 H new ATOM 0 HB2 LEU A 51 6.068 4.628 3.456 1.00 53.43 H new ATOM 0 HB3 LEU A 51 6.096 3.630 2.015 1.00 53.43 H new ATOM 0 HG LEU A 51 6.352 1.606 3.479 1.00 12.02 H new ATOM 0 HD11 LEU A 51 5.797 1.822 5.877 1.00 50.44 H new ATOM 0 HD12 LEU A 51 7.296 2.689 5.462 1.00 50.44 H new ATOM 0 HD13 LEU A 51 5.783 3.594 5.707 1.00 50.44 H new ATOM 0 HD21 LEU A 51 3.993 1.570 4.215 1.00 42.24 H new ATOM 0 HD22 LEU A 51 3.896 3.330 3.968 1.00 42.24 H new ATOM 0 HD23 LEU A 51 4.167 2.250 2.580 1.00 42.24 H new ATOM 807 N LEU A 52 8.538 2.468 1.036 1.00 42.01 N ATOM 808 CA LEU A 52 9.097 1.336 0.281 1.00 74.35 C ATOM 809 C LEU A 52 10.624 1.228 0.455 1.00 65.12 C ATOM 810 O LEU A 52 11.215 0.175 0.214 1.00 35.12 O ATOM 811 CB LEU A 52 8.746 1.476 -1.208 1.00 15.43 C ATOM 812 CG LEU A 52 7.238 1.523 -1.525 1.00 71.13 C ATOM 813 CD1 LEU A 52 7.001 1.670 -3.028 1.00 0.22 C ATOM 814 CD2 LEU A 52 6.529 0.278 -0.982 1.00 71.20 C ATOM 0 H LEU A 52 8.121 3.193 0.452 1.00 42.01 H new ATOM 0 HA LEU A 52 8.655 0.422 0.678 1.00 74.35 H new ATOM 0 HB2 LEU A 52 9.210 2.385 -1.590 1.00 15.43 H new ATOM 0 HB3 LEU A 52 9.189 0.640 -1.749 1.00 15.43 H new ATOM 0 HG LEU A 52 6.816 2.397 -1.030 1.00 71.13 H new ATOM 0 HD11 LEU A 52 5.930 1.701 -3.226 1.00 0.22 H new ATOM 0 HD12 LEU A 52 7.462 2.593 -3.380 1.00 0.22 H new ATOM 0 HD13 LEU A 52 7.442 0.821 -3.551 1.00 0.22 H new ATOM 0 HD21 LEU A 52 5.466 0.333 -1.217 1.00 71.20 H new ATOM 0 HD22 LEU A 52 6.957 -0.613 -1.441 1.00 71.20 H new ATOM 0 HD23 LEU A 52 6.659 0.228 0.099 1.00 71.20 H new ATOM 826 N ALA A 53 11.254 2.327 0.864 1.00 51.41 N ATOM 827 CA ALA A 53 12.702 2.353 1.115 1.00 51.13 C ATOM 828 C ALA A 53 13.040 1.967 2.569 1.00 63.02 C ATOM 829 O ALA A 53 14.212 1.909 2.951 1.00 24.00 O ATOM 830 CB ALA A 53 13.259 3.734 0.787 1.00 40.44 C ATOM 0 H ALA A 53 10.786 3.218 1.031 1.00 51.41 H new ATOM 0 HA ALA A 53 13.168 1.611 0.467 1.00 51.13 H new ATOM 0 HB1 ALA A 53 14.333 3.747 0.975 1.00 40.44 H new ATOM 0 HB2 ALA A 53 13.071 3.962 -0.262 1.00 40.44 H new ATOM 0 HB3 ALA A 53 12.772 4.481 1.413 1.00 40.44 H new ATOM 836 N ARG A 54 12.011 1.712 3.377 1.00 31.43 N ATOM 837 CA ARG A 54 12.197 1.333 4.785 1.00 73.32 C ATOM 838 C ARG A 54 12.175 -0.192 4.972 1.00 53.52 C ATOM 839 O ARG A 54 13.118 -0.781 5.501 1.00 32.22 O ATOM 840 CB ARG A 54 11.095 1.952 5.655 1.00 74.33 C ATOM 841 CG ARG A 54 11.017 3.471 5.589 1.00 10.01 C ATOM 842 CD ARG A 54 9.896 3.997 6.475 1.00 52.42 C ATOM 843 NE ARG A 54 9.730 5.441 6.361 1.00 40.13 N ATOM 844 CZ ARG A 54 8.737 6.102 6.880 1.00 31.12 C ATOM 845 NH1 ARG A 54 7.838 5.489 7.584 1.00 12.44 N ATOM 846 NH2 ARG A 54 8.661 7.382 6.715 1.00 22.45 N ATOM 0 H ARG A 54 11.035 1.760 3.083 1.00 31.43 H new ATOM 0 HA ARG A 54 13.173 1.709 5.091 1.00 73.32 H new ATOM 0 HB2 ARG A 54 10.134 1.538 5.351 1.00 74.33 H new ATOM 0 HB3 ARG A 54 11.257 1.654 6.691 1.00 74.33 H new ATOM 0 HG2 ARG A 54 11.967 3.902 5.904 1.00 10.01 H new ATOM 0 HG3 ARG A 54 10.850 3.786 4.559 1.00 10.01 H new ATOM 0 HD2 ARG A 54 8.962 3.504 6.206 1.00 52.42 H new ATOM 0 HD3 ARG A 54 10.105 3.739 7.513 1.00 52.42 H new ATOM 0 HE ARG A 54 10.435 5.965 5.843 1.00 40.13 H new ATOM 0 HH11 ARG A 54 7.907 4.482 7.734 1.00 12.44 H new ATOM 0 HH12 ARG A 54 7.062 6.013 7.988 1.00 12.44 H new ATOM 0 HH21 ARG A 54 9.378 7.871 6.179 1.00 22.45 H new ATOM 0 HH22 ARG A 54 7.884 7.903 7.121 1.00 22.45 H new ATOM 860 N TYR A 55 11.086 -0.819 4.535 1.00 64.03 N ATOM 861 CA TYR A 55 10.866 -2.255 4.762 1.00 25.43 C ATOM 862 C TYR A 55 11.345 -3.101 3.573 1.00 43.23 C ATOM 863 O TYR A 55 11.265 -2.667 2.423 1.00 31.23 O ATOM 864 CB TYR A 55 9.379 -2.511 5.028 1.00 15.44 C ATOM 865 CG TYR A 55 8.863 -1.808 6.268 1.00 1.11 C ATOM 866 CD1 TYR A 55 9.001 -2.385 7.525 1.00 32.21 C ATOM 867 CD2 TYR A 55 8.249 -0.562 6.185 1.00 44.31 C ATOM 868 CE1 TYR A 55 8.546 -1.744 8.661 1.00 51.24 C ATOM 869 CE2 TYR A 55 7.790 0.084 7.315 1.00 20.23 C ATOM 870 CZ TYR A 55 7.940 -0.508 8.551 1.00 22.14 C ATOM 871 OH TYR A 55 7.487 0.140 9.679 1.00 23.11 O ATOM 0 H TYR A 55 10.336 -0.358 4.019 1.00 64.03 H new ATOM 0 HA TYR A 55 11.452 -2.553 5.631 1.00 25.43 H new ATOM 0 HB2 TYR A 55 8.801 -2.182 4.165 1.00 15.44 H new ATOM 0 HB3 TYR A 55 9.215 -3.584 5.132 1.00 15.44 H new ATOM 0 HD1 TYR A 55 9.473 -3.352 7.615 1.00 32.21 H new ATOM 0 HD2 TYR A 55 8.130 -0.092 5.220 1.00 44.31 H new ATOM 0 HE1 TYR A 55 8.664 -2.207 9.630 1.00 51.24 H new ATOM 0 HE2 TYR A 55 7.315 1.050 7.231 1.00 20.23 H new ATOM 0 HH TYR A 55 7.088 0.998 9.425 1.00 23.11 H new ATOM 881 N PRO A 56 11.857 -4.321 3.839 1.00 21.02 N ATOM 882 CA PRO A 56 12.342 -5.224 2.783 1.00 61.01 C ATOM 883 C PRO A 56 11.203 -5.825 1.940 1.00 62.24 C ATOM 884 O PRO A 56 10.427 -6.656 2.418 1.00 34.10 O ATOM 885 CB PRO A 56 13.079 -6.319 3.571 1.00 51.12 C ATOM 886 CG PRO A 56 12.409 -6.338 4.904 1.00 70.21 C ATOM 887 CD PRO A 56 12.009 -4.912 5.188 1.00 34.43 C ATOM 0 HA PRO A 56 12.969 -4.704 2.058 1.00 61.01 H new ATOM 0 HB2 PRO A 56 13.001 -7.286 3.074 1.00 51.12 H new ATOM 0 HB3 PRO A 56 14.141 -6.094 3.664 1.00 51.12 H new ATOM 0 HG2 PRO A 56 11.538 -6.993 4.894 1.00 70.21 H new ATOM 0 HG3 PRO A 56 13.082 -6.715 5.674 1.00 70.21 H new ATOM 0 HD2 PRO A 56 11.080 -4.861 5.756 1.00 34.43 H new ATOM 0 HD3 PRO A 56 12.768 -4.391 5.771 1.00 34.43 H new ATOM 895 N LEU A 57 11.096 -5.385 0.687 1.00 0.31 N ATOM 896 CA LEU A 57 10.054 -5.876 -0.224 1.00 24.24 C ATOM 897 C LEU A 57 10.651 -6.312 -1.569 1.00 51.33 C ATOM 898 O LEU A 57 11.612 -5.718 -2.056 1.00 23.50 O ATOM 899 CB LEU A 57 9.004 -4.781 -0.472 1.00 11.33 C ATOM 900 CG LEU A 57 8.271 -4.259 0.772 1.00 43.31 C ATOM 901 CD1 LEU A 57 7.334 -3.114 0.399 1.00 40.24 C ATOM 902 CD2 LEU A 57 7.497 -5.383 1.458 1.00 52.42 C ATOM 0 H LEU A 57 11.717 -4.688 0.276 1.00 0.31 H new ATOM 0 HA LEU A 57 9.584 -6.739 0.248 1.00 24.24 H new ATOM 0 HB2 LEU A 57 9.494 -3.939 -0.961 1.00 11.33 H new ATOM 0 HB3 LEU A 57 8.262 -5.168 -1.171 1.00 11.33 H new ATOM 0 HG LEU A 57 9.016 -3.882 1.473 1.00 43.31 H new ATOM 0 HD11 LEU A 57 6.823 -2.756 1.293 1.00 40.24 H new ATOM 0 HD12 LEU A 57 7.911 -2.300 -0.039 1.00 40.24 H new ATOM 0 HD13 LEU A 57 6.598 -3.467 -0.323 1.00 40.24 H new ATOM 0 HD21 LEU A 57 6.986 -4.989 2.337 1.00 52.42 H new ATOM 0 HD22 LEU A 57 6.763 -5.795 0.765 1.00 52.42 H new ATOM 0 HD23 LEU A 57 8.189 -6.168 1.762 1.00 52.42 H new ATOM 914 N THR A 58 10.077 -7.354 -2.161 1.00 71.34 N ATOM 915 CA THR A 58 10.468 -7.799 -3.507 1.00 54.32 C ATOM 916 C THR A 58 9.657 -7.062 -4.581 1.00 74.11 C ATOM 917 O THR A 58 8.585 -6.527 -4.293 1.00 13.34 O ATOM 918 CB THR A 58 10.259 -9.323 -3.689 1.00 33.22 C ATOM 919 OG1 THR A 58 8.858 -9.639 -3.686 1.00 72.03 O ATOM 920 CG2 THR A 58 10.959 -10.110 -2.582 1.00 43.30 C ATOM 0 H THR A 58 9.337 -7.912 -1.734 1.00 71.34 H new ATOM 0 HA THR A 58 11.528 -7.570 -3.619 1.00 54.32 H new ATOM 0 HB THR A 58 10.693 -9.606 -4.648 1.00 33.22 H new ATOM 0 HG1 THR A 58 8.740 -10.605 -3.803 1.00 72.03 H new ATOM 0 HG21 THR A 58 10.796 -11.177 -2.735 1.00 43.30 H new ATOM 0 HG22 THR A 58 12.028 -9.900 -2.606 1.00 43.30 H new ATOM 0 HG23 THR A 58 10.553 -9.816 -1.614 1.00 43.30 H new ATOM 928 N GLU A 59 10.157 -7.047 -5.820 1.00 4.23 N ATOM 929 CA GLU A 59 9.483 -6.347 -6.933 1.00 21.41 C ATOM 930 C GLU A 59 7.983 -6.692 -7.016 1.00 74.53 C ATOM 931 O GLU A 59 7.163 -5.849 -7.385 1.00 4.31 O ATOM 932 CB GLU A 59 10.169 -6.663 -8.275 1.00 22.53 C ATOM 933 CG GLU A 59 11.511 -5.957 -8.479 1.00 23.25 C ATOM 934 CD GLU A 59 12.554 -6.327 -7.436 1.00 3.21 C ATOM 935 OE1 GLU A 59 13.219 -7.373 -7.596 1.00 4.45 O ATOM 936 OE2 GLU A 59 12.711 -5.582 -6.451 1.00 62.41 O ATOM 0 H GLU A 59 11.027 -7.510 -6.084 1.00 4.23 H new ATOM 0 HA GLU A 59 9.568 -5.279 -6.730 1.00 21.41 H new ATOM 0 HB2 GLU A 59 10.324 -7.740 -8.346 1.00 22.53 H new ATOM 0 HB3 GLU A 59 9.498 -6.384 -9.087 1.00 22.53 H new ATOM 0 HG2 GLU A 59 11.895 -6.203 -9.469 1.00 23.25 H new ATOM 0 HG3 GLU A 59 11.353 -4.879 -8.457 1.00 23.25 H new ATOM 943 N SER A 60 7.634 -7.930 -6.673 1.00 35.14 N ATOM 944 CA SER A 60 6.227 -8.353 -6.632 1.00 60.21 C ATOM 945 C SER A 60 5.472 -7.655 -5.491 1.00 30.42 C ATOM 946 O SER A 60 4.332 -7.216 -5.660 1.00 1.13 O ATOM 947 CB SER A 60 6.121 -9.874 -6.461 1.00 24.54 C ATOM 948 OG SER A 60 4.762 -10.290 -6.414 1.00 42.12 O ATOM 0 H SER A 60 8.300 -8.659 -6.419 1.00 35.14 H new ATOM 0 HA SER A 60 5.772 -8.067 -7.580 1.00 60.21 H new ATOM 0 HB2 SER A 60 6.629 -10.372 -7.287 1.00 24.54 H new ATOM 0 HB3 SER A 60 6.629 -10.177 -5.545 1.00 24.54 H new ATOM 0 HG SER A 60 4.721 -11.263 -6.306 1.00 42.12 H new ATOM 954 N GLN A 61 6.119 -7.538 -4.330 1.00 15.43 N ATOM 955 CA GLN A 61 5.499 -6.914 -3.157 1.00 1.15 C ATOM 956 C GLN A 61 5.245 -5.409 -3.376 1.00 61.42 C ATOM 957 O GLN A 61 4.178 -4.907 -3.024 1.00 30.11 O ATOM 958 CB GLN A 61 6.361 -7.138 -1.904 1.00 74.01 C ATOM 959 CG GLN A 61 6.481 -8.607 -1.496 1.00 53.22 C ATOM 960 CD GLN A 61 7.369 -8.815 -0.278 1.00 42.11 C ATOM 961 OE1 GLN A 61 8.575 -8.995 -0.396 1.00 31.32 O ATOM 962 NE2 GLN A 61 6.780 -8.815 0.900 1.00 71.32 N ATOM 0 H GLN A 61 7.072 -7.867 -4.176 1.00 15.43 H new ATOM 0 HA GLN A 61 4.531 -7.392 -3.007 1.00 1.15 H new ATOM 0 HB2 GLN A 61 7.359 -6.737 -2.083 1.00 74.01 H new ATOM 0 HB3 GLN A 61 5.935 -6.573 -1.075 1.00 74.01 H new ATOM 0 HG2 GLN A 61 5.487 -9.002 -1.286 1.00 53.22 H new ATOM 0 HG3 GLN A 61 6.881 -9.179 -2.333 1.00 53.22 H new ATOM 0 HE21 GLN A 61 5.774 -8.662 0.967 1.00 71.32 H new ATOM 0 HE22 GLN A 61 7.330 -8.968 1.745 1.00 71.32 H new ATOM 971 N LEU A 62 6.214 -4.694 -3.965 1.00 43.31 N ATOM 972 CA LEU A 62 6.032 -3.259 -4.259 1.00 52.20 C ATOM 973 C LEU A 62 4.810 -3.027 -5.163 1.00 15.30 C ATOM 974 O LEU A 62 4.069 -2.057 -4.987 1.00 32.35 O ATOM 975 CB LEU A 62 7.279 -2.635 -4.916 1.00 13.31 C ATOM 976 CG LEU A 62 8.496 -2.414 -3.994 1.00 50.31 C ATOM 977 CD1 LEU A 62 9.248 -3.715 -3.757 1.00 35.30 C ATOM 978 CD2 LEU A 62 9.427 -1.348 -4.570 1.00 13.32 C ATOM 0 H LEU A 62 7.118 -5.074 -4.245 1.00 43.31 H new ATOM 0 HA LEU A 62 5.870 -2.768 -3.299 1.00 52.20 H new ATOM 0 HB2 LEU A 62 7.587 -3.275 -5.743 1.00 13.31 H new ATOM 0 HB3 LEU A 62 6.995 -1.674 -5.345 1.00 13.31 H new ATOM 0 HG LEU A 62 8.126 -2.060 -3.032 1.00 50.31 H new ATOM 0 HD11 LEU A 62 10.101 -3.529 -3.104 1.00 35.30 H new ATOM 0 HD12 LEU A 62 8.583 -4.440 -3.287 1.00 35.30 H new ATOM 0 HD13 LEU A 62 9.600 -4.110 -4.710 1.00 35.30 H new ATOM 0 HD21 LEU A 62 10.278 -1.209 -3.903 1.00 13.32 H new ATOM 0 HD22 LEU A 62 9.782 -1.666 -5.550 1.00 13.32 H new ATOM 0 HD23 LEU A 62 8.886 -0.407 -4.668 1.00 13.32 H new ATOM 990 N ALA A 63 4.609 -3.923 -6.130 1.00 32.44 N ATOM 991 CA ALA A 63 3.441 -3.861 -7.013 1.00 12.34 C ATOM 992 C ALA A 63 2.136 -3.970 -6.207 1.00 0.13 C ATOM 993 O ALA A 63 1.209 -3.175 -6.387 1.00 3.11 O ATOM 994 CB ALA A 63 3.515 -4.967 -8.062 1.00 1.34 C ATOM 0 H ALA A 63 5.240 -4.701 -6.323 1.00 32.44 H new ATOM 0 HA ALA A 63 3.445 -2.896 -7.519 1.00 12.34 H new ATOM 0 HB1 ALA A 63 2.642 -4.911 -8.712 1.00 1.34 H new ATOM 0 HB2 ALA A 63 4.420 -4.844 -8.658 1.00 1.34 H new ATOM 0 HB3 ALA A 63 3.536 -5.938 -7.566 1.00 1.34 H new ATOM 1000 N LEU A 64 2.087 -4.947 -5.302 1.00 11.14 N ATOM 1001 CA LEU A 64 0.919 -5.150 -4.441 1.00 60.52 C ATOM 1002 C LEU A 64 0.627 -3.916 -3.568 1.00 23.11 C ATOM 1003 O LEU A 64 -0.527 -3.506 -3.417 1.00 63.33 O ATOM 1004 CB LEU A 64 1.133 -6.368 -3.537 1.00 4.32 C ATOM 1005 CG LEU A 64 -0.051 -6.699 -2.612 1.00 71.00 C ATOM 1006 CD1 LEU A 64 -1.265 -7.131 -3.430 1.00 53.13 C ATOM 1007 CD2 LEU A 64 0.336 -7.771 -1.600 1.00 13.05 C ATOM 0 H LEU A 64 2.844 -5.613 -5.145 1.00 11.14 H new ATOM 0 HA LEU A 64 0.062 -5.316 -5.094 1.00 60.52 H new ATOM 0 HB2 LEU A 64 1.341 -7.236 -4.163 1.00 4.32 H new ATOM 0 HB3 LEU A 64 2.018 -6.197 -2.924 1.00 4.32 H new ATOM 0 HG LEU A 64 -0.317 -5.798 -2.059 1.00 71.00 H new ATOM 0 HD11 LEU A 64 -2.093 -7.361 -2.759 1.00 53.13 H new ATOM 0 HD12 LEU A 64 -1.557 -6.324 -4.102 1.00 53.13 H new ATOM 0 HD13 LEU A 64 -1.014 -8.017 -4.014 1.00 53.13 H new ATOM 0 HD21 LEU A 64 -0.517 -7.989 -0.957 1.00 13.05 H new ATOM 0 HD22 LEU A 64 0.634 -8.678 -2.126 1.00 13.05 H new ATOM 0 HD23 LEU A 64 1.167 -7.414 -0.992 1.00 13.05 H new ATOM 1019 N VAL A 65 1.676 -3.332 -2.989 1.00 63.13 N ATOM 1020 CA VAL A 65 1.530 -2.138 -2.147 1.00 32.02 C ATOM 1021 C VAL A 65 0.807 -1.011 -2.902 1.00 14.21 C ATOM 1022 O VAL A 65 -0.060 -0.334 -2.349 1.00 40.44 O ATOM 1023 CB VAL A 65 2.908 -1.629 -1.641 1.00 24.34 C ATOM 1024 CG1 VAL A 65 2.749 -0.375 -0.782 1.00 32.14 C ATOM 1025 CG2 VAL A 65 3.637 -2.727 -0.862 1.00 10.44 C ATOM 0 H VAL A 65 2.636 -3.663 -3.085 1.00 63.13 H new ATOM 0 HA VAL A 65 0.928 -2.427 -1.285 1.00 32.02 H new ATOM 0 HB VAL A 65 3.509 -1.367 -2.512 1.00 24.34 H new ATOM 0 HG11 VAL A 65 3.729 -0.041 -0.441 1.00 32.14 H new ATOM 0 HG12 VAL A 65 2.281 0.413 -1.372 1.00 32.14 H new ATOM 0 HG13 VAL A 65 2.123 -0.602 0.081 1.00 32.14 H new ATOM 0 HG21 VAL A 65 4.600 -2.350 -0.517 1.00 10.44 H new ATOM 0 HG22 VAL A 65 3.035 -3.025 -0.004 1.00 10.44 H new ATOM 0 HG23 VAL A 65 3.796 -3.589 -1.510 1.00 10.44 H new ATOM 1035 N ARG A 66 1.152 -0.829 -4.177 1.00 50.43 N ATOM 1036 CA ARG A 66 0.486 0.175 -5.018 1.00 11.21 C ATOM 1037 C ARG A 66 -0.965 -0.235 -5.329 1.00 20.33 C ATOM 1038 O ARG A 66 -1.865 0.606 -5.368 1.00 1.41 O ATOM 1039 CB ARG A 66 1.253 0.383 -6.328 1.00 42.23 C ATOM 1040 CG ARG A 66 2.730 0.714 -6.136 1.00 40.23 C ATOM 1041 CD ARG A 66 3.422 1.015 -7.464 1.00 12.04 C ATOM 1042 NE ARG A 66 3.109 0.010 -8.481 1.00 51.12 N ATOM 1043 CZ ARG A 66 3.982 -0.794 -9.030 1.00 51.44 C ATOM 1044 NH1 ARG A 66 5.227 -0.774 -8.667 1.00 5.53 N ATOM 1045 NH2 ARG A 66 3.599 -1.625 -9.943 1.00 70.24 N ATOM 0 H ARG A 66 1.884 -1.358 -4.651 1.00 50.43 H new ATOM 0 HA ARG A 66 0.473 1.111 -4.460 1.00 11.21 H new ATOM 0 HB2 ARG A 66 1.169 -0.519 -6.933 1.00 42.23 H new ATOM 0 HB3 ARG A 66 0.781 1.189 -6.890 1.00 42.23 H new ATOM 0 HG2 ARG A 66 2.826 1.574 -5.473 1.00 40.23 H new ATOM 0 HG3 ARG A 66 3.229 -0.123 -5.648 1.00 40.23 H new ATOM 0 HD2 ARG A 66 3.115 1.999 -7.819 1.00 12.04 H new ATOM 0 HD3 ARG A 66 4.501 1.054 -7.311 1.00 12.04 H new ATOM 0 HE ARG A 66 2.138 -0.069 -8.784 1.00 51.12 H new ATOM 0 HH11 ARG A 66 5.537 -0.125 -7.944 1.00 5.53 H new ATOM 0 HH12 ARG A 66 5.896 -1.407 -9.105 1.00 5.53 H new ATOM 0 HH21 ARG A 66 2.621 -1.651 -10.231 1.00 70.24 H new ATOM 0 HH22 ARG A 66 4.275 -2.255 -10.375 1.00 70.24 H new ATOM 1059 N ASP A 67 -1.173 -1.534 -5.557 1.00 32.44 N ATOM 1060 CA ASP A 67 -2.510 -2.089 -5.813 1.00 45.55 C ATOM 1061 C ASP A 67 -3.479 -1.768 -4.656 1.00 11.23 C ATOM 1062 O ASP A 67 -4.581 -1.251 -4.874 1.00 61.12 O ATOM 1063 CB ASP A 67 -2.397 -3.609 -6.032 1.00 43.44 C ATOM 1064 CG ASP A 67 -3.740 -4.296 -6.217 1.00 72.54 C ATOM 1065 OD1 ASP A 67 -4.456 -3.970 -7.190 1.00 14.33 O ATOM 1066 OD2 ASP A 67 -4.080 -5.176 -5.396 1.00 23.20 O ATOM 0 H ASP A 67 -0.427 -2.229 -5.570 1.00 32.44 H new ATOM 0 HA ASP A 67 -2.918 -1.627 -6.712 1.00 45.55 H new ATOM 0 HB2 ASP A 67 -1.778 -3.797 -6.909 1.00 43.44 H new ATOM 0 HB3 ASP A 67 -1.885 -4.054 -5.179 1.00 43.44 H new ATOM 1071 N ILE A 68 -3.052 -2.059 -3.427 1.00 43.54 N ATOM 1072 CA ILE A 68 -3.833 -1.720 -2.225 1.00 41.25 C ATOM 1073 C ILE A 68 -3.976 -0.193 -2.073 1.00 13.10 C ATOM 1074 O ILE A 68 -5.069 0.328 -1.819 1.00 25.34 O ATOM 1075 CB ILE A 68 -3.168 -2.298 -0.948 1.00 53.34 C ATOM 1076 CG1 ILE A 68 -3.000 -3.823 -1.072 1.00 0.31 C ATOM 1077 CG2 ILE A 68 -3.984 -1.943 0.295 1.00 54.14 C ATOM 1078 CD1 ILE A 68 -2.290 -4.459 0.105 1.00 0.22 C ATOM 0 H ILE A 68 -2.168 -2.530 -3.232 1.00 43.54 H new ATOM 0 HA ILE A 68 -4.822 -2.163 -2.346 1.00 41.25 H new ATOM 0 HB ILE A 68 -2.179 -1.851 -0.843 1.00 53.34 H new ATOM 0 HG12 ILE A 68 -3.984 -4.280 -1.180 1.00 0.31 H new ATOM 0 HG13 ILE A 68 -2.444 -4.045 -1.983 1.00 0.31 H new ATOM 0 HG21 ILE A 68 -3.500 -2.358 1.179 1.00 54.14 H new ATOM 0 HG22 ILE A 68 -4.047 -0.859 0.391 1.00 54.14 H new ATOM 0 HG23 ILE A 68 -4.988 -2.358 0.202 1.00 54.14 H new ATOM 0 HD11 ILE A 68 -2.210 -5.534 -0.056 1.00 0.22 H new ATOM 0 HD12 ILE A 68 -1.292 -4.031 0.202 1.00 0.22 H new ATOM 0 HD13 ILE A 68 -2.856 -4.270 1.017 1.00 0.22 H new ATOM 1090 N ARG A 69 -2.856 0.514 -2.240 1.00 51.44 N ATOM 1091 CA ARG A 69 -2.825 1.981 -2.178 1.00 55.02 C ATOM 1092 C ARG A 69 -3.853 2.607 -3.136 1.00 75.15 C ATOM 1093 O ARG A 69 -4.470 3.627 -2.819 1.00 40.11 O ATOM 1094 CB ARG A 69 -1.402 2.476 -2.507 1.00 14.42 C ATOM 1095 CG ARG A 69 -1.216 4.000 -2.554 1.00 63.24 C ATOM 1096 CD ARG A 69 -1.423 4.568 -3.960 1.00 13.14 C ATOM 1097 NE ARG A 69 -1.055 5.981 -4.050 1.00 34.04 N ATOM 1098 CZ ARG A 69 -0.981 6.655 -5.171 1.00 54.11 C ATOM 1099 NH1 ARG A 69 -1.247 6.090 -6.308 1.00 23.34 N ATOM 1100 NH2 ARG A 69 -0.631 7.899 -5.150 1.00 61.22 N ATOM 0 H ARG A 69 -1.947 0.089 -2.422 1.00 51.44 H new ATOM 0 HA ARG A 69 -3.093 2.292 -1.168 1.00 55.02 H new ATOM 0 HB2 ARG A 69 -0.716 2.068 -1.765 1.00 14.42 H new ATOM 0 HB3 ARG A 69 -1.109 2.064 -3.472 1.00 14.42 H new ATOM 0 HG2 ARG A 69 -1.919 4.471 -1.867 1.00 63.24 H new ATOM 0 HG3 ARG A 69 -0.214 4.252 -2.207 1.00 63.24 H new ATOM 0 HD2 ARG A 69 -0.829 3.995 -4.672 1.00 13.14 H new ATOM 0 HD3 ARG A 69 -2.468 4.448 -4.247 1.00 13.14 H new ATOM 0 HE ARG A 69 -0.842 6.474 -3.183 1.00 34.04 H new ATOM 0 HH11 ARG A 69 -1.518 5.107 -6.338 1.00 23.34 H new ATOM 0 HH12 ARG A 69 -1.185 6.629 -7.172 1.00 23.34 H new ATOM 0 HH21 ARG A 69 -0.414 8.353 -4.263 1.00 61.22 H new ATOM 0 HH22 ARG A 69 -0.572 8.427 -6.021 1.00 61.22 H new ATOM 1114 N ARG A 70 -4.039 1.993 -4.304 1.00 54.24 N ATOM 1115 CA ARG A 70 -4.960 2.532 -5.302 1.00 62.23 C ATOM 1116 C ARG A 70 -6.427 2.368 -4.871 1.00 74.55 C ATOM 1117 O ARG A 70 -7.186 3.328 -4.905 1.00 55.30 O ATOM 1118 CB ARG A 70 -4.731 1.880 -6.672 1.00 51.34 C ATOM 1119 CG ARG A 70 -5.493 2.578 -7.793 1.00 1.24 C ATOM 1120 CD ARG A 70 -5.182 1.985 -9.163 1.00 34.34 C ATOM 1121 NE ARG A 70 -5.776 2.773 -10.243 1.00 21.21 N ATOM 1122 CZ ARG A 70 -5.886 2.365 -11.480 1.00 1.31 C ATOM 1123 NH1 ARG A 70 -5.554 1.158 -11.808 1.00 24.33 N ATOM 1124 NH2 ARG A 70 -6.359 3.160 -12.381 1.00 32.31 N ATOM 0 H ARG A 70 -3.569 1.131 -4.580 1.00 54.24 H new ATOM 0 HA ARG A 70 -4.753 3.599 -5.386 1.00 62.23 H new ATOM 0 HB2 ARG A 70 -3.665 1.891 -6.901 1.00 51.34 H new ATOM 0 HB3 ARG A 70 -5.036 0.835 -6.627 1.00 51.34 H new ATOM 0 HG2 ARG A 70 -6.564 2.504 -7.602 1.00 1.24 H new ATOM 0 HG3 ARG A 70 -5.242 3.639 -7.794 1.00 1.24 H new ATOM 0 HD2 ARG A 70 -4.102 1.935 -9.301 1.00 34.34 H new ATOM 0 HD3 ARG A 70 -5.557 0.963 -9.210 1.00 34.34 H new ATOM 0 HE ARG A 70 -6.128 3.703 -10.016 1.00 21.21 H new ATOM 0 HH11 ARG A 70 -5.203 0.515 -11.098 1.00 24.33 H new ATOM 0 HH12 ARG A 70 -5.644 0.850 -12.776 1.00 24.33 H new ATOM 0 HH21 ARG A 70 -6.646 4.105 -12.127 1.00 32.31 H new ATOM 0 HH22 ARG A 70 -6.445 2.843 -13.347 1.00 32.31 H new ATOM 1138 N ARG A 71 -6.823 1.161 -4.448 1.00 24.43 N ATOM 1139 CA ARG A 71 -8.222 0.911 -4.045 1.00 3.41 C ATOM 1140 C ARG A 71 -8.655 1.827 -2.892 1.00 24.24 C ATOM 1141 O ARG A 71 -9.659 2.539 -2.991 1.00 64.21 O ATOM 1142 CB ARG A 71 -8.435 -0.552 -3.631 1.00 64.35 C ATOM 1143 CG ARG A 71 -8.249 -1.557 -4.760 1.00 43.20 C ATOM 1144 CD ARG A 71 -8.672 -2.959 -4.330 1.00 51.31 C ATOM 1145 NE ARG A 71 -8.254 -3.971 -5.292 1.00 73.34 N ATOM 1146 CZ ARG A 71 -7.113 -4.594 -5.226 1.00 62.13 C ATOM 1147 NH1 ARG A 71 -6.335 -4.431 -4.201 1.00 34.04 N ATOM 1148 NH2 ARG A 71 -6.760 -5.411 -6.158 1.00 43.15 N ATOM 0 H ARG A 71 -6.209 0.350 -4.375 1.00 24.43 H new ATOM 0 HA ARG A 71 -8.836 1.129 -4.918 1.00 3.41 H new ATOM 0 HB2 ARG A 71 -7.740 -0.794 -2.827 1.00 64.35 H new ATOM 0 HB3 ARG A 71 -9.441 -0.660 -3.227 1.00 64.35 H new ATOM 0 HG2 ARG A 71 -8.835 -1.247 -5.625 1.00 43.20 H new ATOM 0 HG3 ARG A 71 -7.204 -1.569 -5.070 1.00 43.20 H new ATOM 0 HD2 ARG A 71 -8.241 -3.185 -3.355 1.00 51.31 H new ATOM 0 HD3 ARG A 71 -9.755 -2.992 -4.215 1.00 51.31 H new ATOM 0 HE ARG A 71 -8.888 -4.203 -6.056 1.00 73.34 H new ATOM 0 HH11 ARG A 71 -6.616 -3.812 -3.441 1.00 34.04 H new ATOM 0 HH12 ARG A 71 -5.442 -4.922 -4.155 1.00 34.04 H new ATOM 0 HH21 ARG A 71 -7.376 -5.573 -6.954 1.00 43.15 H new ATOM 0 HH22 ARG A 71 -5.864 -5.895 -6.099 1.00 43.15 H new ATOM 1162 N GLY A 72 -7.892 1.804 -1.798 1.00 75.34 N ATOM 1163 CA GLY A 72 -8.223 2.619 -0.632 1.00 34.45 C ATOM 1164 C GLY A 72 -8.351 4.105 -0.957 1.00 25.32 C ATOM 1165 O GLY A 72 -9.180 4.809 -0.376 1.00 22.31 O ATOM 0 H GLY A 72 -7.051 1.236 -1.696 1.00 75.34 H new ATOM 0 HA2 GLY A 72 -9.160 2.265 -0.203 1.00 34.45 H new ATOM 0 HA3 GLY A 72 -7.454 2.484 0.128 1.00 34.45 H new ATOM 1169 N LYS A 73 -7.531 4.581 -1.888 1.00 74.02 N ATOM 1170 CA LYS A 73 -7.534 5.996 -2.282 1.00 71.42 C ATOM 1171 C LYS A 73 -8.503 6.262 -3.453 1.00 72.10 C ATOM 1172 O LYS A 73 -8.953 7.390 -3.653 1.00 73.05 O ATOM 1173 CB LYS A 73 -6.107 6.424 -2.656 1.00 2.53 C ATOM 1174 CG LYS A 73 -5.928 7.930 -2.842 1.00 55.24 C ATOM 1175 CD LYS A 73 -4.461 8.304 -3.043 1.00 62.10 C ATOM 1176 CE LYS A 73 -3.592 7.865 -1.867 1.00 64.04 C ATOM 1177 NZ LYS A 73 -4.011 8.499 -0.589 1.00 24.14 N ATOM 0 H LYS A 73 -6.851 4.009 -2.389 1.00 74.02 H new ATOM 0 HA LYS A 73 -7.884 6.587 -1.435 1.00 71.42 H new ATOM 0 HB2 LYS A 73 -5.423 6.082 -1.879 1.00 2.53 H new ATOM 0 HB3 LYS A 73 -5.819 5.920 -3.578 1.00 2.53 H new ATOM 0 HG2 LYS A 73 -6.509 8.262 -3.702 1.00 55.24 H new ATOM 0 HG3 LYS A 73 -6.321 8.454 -1.970 1.00 55.24 H new ATOM 0 HD2 LYS A 73 -4.092 7.843 -3.959 1.00 62.10 H new ATOM 0 HD3 LYS A 73 -4.377 9.383 -3.173 1.00 62.10 H new ATOM 0 HE2 LYS A 73 -3.642 6.781 -1.766 1.00 64.04 H new ATOM 0 HE3 LYS A 73 -2.552 8.118 -2.072 1.00 64.04 H new ATOM 0 HZ1 LYS A 73 -3.247 9.111 -0.238 1.00 24.14 H new ATOM 0 HZ2 LYS A 73 -4.866 9.069 -0.748 1.00 24.14 H new ATOM 0 HZ3 LYS A 73 -4.214 7.761 0.115 1.00 24.14 H new