USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= -0.941 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.246 K(o=-0.69,f=-4.8!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -160:sc= -0.111 (180deg=-0.683) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -165:sc= 0.405 USER MOD Single : A 42 ASN : amide:sc= 0.815 K(o=0.82,f=-0.0069) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0154) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.675 -6.259 0.590 1.00 0.35 N ATOM 350 CA ASP A 24 -7.339 -5.727 0.303 1.00 13.42 C ATOM 351 C ASP A 24 -6.288 -6.240 1.303 1.00 2.34 C ATOM 352 O ASP A 24 -5.236 -6.746 0.900 1.00 51.54 O ATOM 353 CB ASP A 24 -7.378 -4.196 0.288 1.00 73.05 C ATOM 354 CG ASP A 24 -8.263 -3.670 -0.828 1.00 60.42 C ATOM 355 OD1 ASP A 24 -7.821 -3.690 -1.994 1.00 43.24 O ATOM 356 OD2 ASP A 24 -9.414 -3.258 -0.550 1.00 23.35 O ATOM 0 HA ASP A 24 -7.040 -6.085 -0.682 1.00 13.42 H new ATOM 0 HB2 ASP A 24 -7.746 -3.831 1.247 1.00 73.05 H new ATOM 0 HB3 ASP A 24 -6.367 -3.807 0.166 1.00 73.05 H new ATOM 361 N GLU A 25 -6.574 -6.127 2.601 1.00 32.21 N ATOM 362 CA GLU A 25 -5.667 -6.634 3.638 1.00 60.44 C ATOM 363 C GLU A 25 -5.344 -8.125 3.428 1.00 33.13 C ATOM 364 O GLU A 25 -4.251 -8.584 3.767 1.00 43.10 O ATOM 365 CB GLU A 25 -6.257 -6.423 5.046 1.00 32.44 C ATOM 366 CG GLU A 25 -6.368 -4.957 5.477 1.00 50.24 C ATOM 367 CD GLU A 25 -7.554 -4.230 4.857 1.00 52.01 C ATOM 368 OE1 GLU A 25 -7.417 -3.685 3.741 1.00 22.14 O ATOM 369 OE2 GLU A 25 -8.628 -4.205 5.486 1.00 54.43 O ATOM 0 H GLU A 25 -7.423 -5.691 2.961 1.00 32.21 H new ATOM 0 HA GLU A 25 -4.741 -6.065 3.555 1.00 60.44 H new ATOM 0 HB2 GLU A 25 -7.248 -6.875 5.082 1.00 32.44 H new ATOM 0 HB3 GLU A 25 -5.638 -6.955 5.769 1.00 32.44 H new ATOM 0 HG2 GLU A 25 -6.451 -4.911 6.563 1.00 50.24 H new ATOM 0 HG3 GLU A 25 -5.450 -4.436 5.205 1.00 50.24 H new ATOM 376 N ARG A 26 -6.291 -8.871 2.853 1.00 33.35 N ATOM 377 CA ARG A 26 -6.088 -10.298 2.562 1.00 10.23 C ATOM 378 C ARG A 26 -4.883 -10.527 1.628 1.00 41.12 C ATOM 379 O ARG A 26 -4.196 -11.545 1.730 1.00 53.24 O ATOM 380 CB ARG A 26 -7.361 -10.918 1.964 1.00 43.23 C ATOM 381 CG ARG A 26 -8.535 -10.979 2.941 1.00 71.02 C ATOM 382 CD ARG A 26 -9.789 -11.569 2.296 1.00 65.45 C ATOM 383 NE ARG A 26 -9.547 -12.895 1.726 1.00 14.40 N ATOM 384 CZ ARG A 26 -10.461 -13.815 1.574 1.00 11.23 C ATOM 385 NH1 ARG A 26 -11.672 -13.623 1.989 1.00 1.25 N ATOM 386 NH2 ARG A 26 -10.151 -14.938 1.018 1.00 31.30 N ATOM 0 H ARG A 26 -7.206 -8.513 2.579 1.00 33.35 H new ATOM 0 HA ARG A 26 -5.869 -10.794 3.507 1.00 10.23 H new ATOM 0 HB2 ARG A 26 -7.658 -10.341 1.089 1.00 43.23 H new ATOM 0 HB3 ARG A 26 -7.135 -11.927 1.619 1.00 43.23 H new ATOM 0 HG2 ARG A 26 -8.255 -11.580 3.806 1.00 71.02 H new ATOM 0 HG3 ARG A 26 -8.754 -9.976 3.307 1.00 71.02 H new ATOM 0 HD2 ARG A 26 -10.582 -11.635 3.041 1.00 65.45 H new ATOM 0 HD3 ARG A 26 -10.143 -10.898 1.513 1.00 65.45 H new ATOM 0 HE ARG A 26 -8.597 -13.116 1.426 1.00 14.40 H new ATOM 0 HH11 ARG A 26 -11.923 -12.744 2.442 1.00 1.25 H new ATOM 0 HH12 ARG A 26 -12.376 -14.351 1.863 1.00 1.25 H new ATOM 0 HH21 ARG A 26 -9.196 -15.103 0.700 1.00 31.30 H new ATOM 0 HH22 ARG A 26 -10.861 -15.660 0.897 1.00 31.30 H new ATOM 400 N ARG A 27 -4.618 -9.576 0.726 1.00 62.40 N ATOM 401 CA ARG A 27 -3.422 -9.648 -0.130 1.00 1.12 C ATOM 402 C ARG A 27 -2.163 -9.308 0.680 1.00 23.14 C ATOM 403 O ARG A 27 -1.119 -9.951 0.532 1.00 71.31 O ATOM 404 CB ARG A 27 -3.522 -8.699 -1.338 1.00 64.23 C ATOM 405 CG ARG A 27 -4.622 -9.054 -2.341 1.00 21.15 C ATOM 406 CD ARG A 27 -5.981 -8.509 -1.923 1.00 24.24 C ATOM 407 NE ARG A 27 -7.051 -8.958 -2.811 1.00 4.45 N ATOM 408 CZ ARG A 27 -7.902 -8.166 -3.404 1.00 54.51 C ATOM 409 NH1 ARG A 27 -7.814 -6.876 -3.287 1.00 40.23 N ATOM 410 NH2 ARG A 27 -8.836 -8.673 -4.138 1.00 64.51 N ATOM 0 H ARG A 27 -5.205 -8.757 0.568 1.00 62.40 H new ATOM 0 HA ARG A 27 -3.356 -10.670 -0.504 1.00 1.12 H new ATOM 0 HB2 ARG A 27 -3.694 -7.686 -0.974 1.00 64.23 H new ATOM 0 HB3 ARG A 27 -2.564 -8.692 -1.858 1.00 64.23 H new ATOM 0 HG2 ARG A 27 -4.359 -8.656 -3.321 1.00 21.15 H new ATOM 0 HG3 ARG A 27 -4.683 -10.138 -2.442 1.00 21.15 H new ATOM 0 HD2 ARG A 27 -6.200 -8.826 -0.903 1.00 24.24 H new ATOM 0 HD3 ARG A 27 -5.948 -7.420 -1.918 1.00 24.24 H new ATOM 0 HE ARG A 27 -7.139 -9.960 -2.979 1.00 4.45 H new ATOM 0 HH11 ARG A 27 -7.070 -6.465 -2.724 1.00 40.23 H new ATOM 0 HH12 ARG A 27 -8.489 -6.274 -3.758 1.00 40.23 H new ATOM 0 HH21 ARG A 27 -8.904 -9.685 -4.250 1.00 64.51 H new ATOM 0 HH22 ARG A 27 -9.506 -8.062 -4.605 1.00 64.51 H new ATOM 424 N ALA A 28 -2.280 -8.302 1.545 1.00 32.52 N ATOM 425 CA ALA A 28 -1.164 -7.863 2.390 1.00 53.51 C ATOM 426 C ALA A 28 -0.625 -9.011 3.258 1.00 43.25 C ATOM 427 O ALA A 28 0.582 -9.236 3.330 1.00 54.12 O ATOM 428 CB ALA A 28 -1.598 -6.689 3.266 1.00 4.25 C ATOM 0 H ALA A 28 -3.140 -7.771 1.681 1.00 32.52 H new ATOM 0 HA ALA A 28 -0.355 -7.539 1.735 1.00 53.51 H new ATOM 0 HB1 ALA A 28 -0.762 -6.371 3.889 1.00 4.25 H new ATOM 0 HB2 ALA A 28 -1.914 -5.860 2.633 1.00 4.25 H new ATOM 0 HB3 ALA A 28 -2.428 -6.997 3.902 1.00 4.25 H new ATOM 434 N LEU A 29 -1.525 -9.745 3.907 1.00 44.51 N ATOM 435 CA LEU A 29 -1.127 -10.880 4.756 1.00 23.52 C ATOM 436 C LEU A 29 -0.736 -12.116 3.926 1.00 54.22 C ATOM 437 O LEU A 29 0.014 -12.978 4.393 1.00 1.23 O ATOM 438 CB LEU A 29 -2.247 -11.207 5.762 1.00 12.03 C ATOM 439 CG LEU A 29 -3.649 -11.463 5.169 1.00 20.04 C ATOM 440 CD1 LEU A 29 -3.794 -12.902 4.672 1.00 74.13 C ATOM 441 CD2 LEU A 29 -4.733 -11.133 6.193 1.00 13.24 C ATOM 0 H LEU A 29 -2.531 -9.581 3.866 1.00 44.51 H new ATOM 0 HA LEU A 29 -0.236 -10.587 5.311 1.00 23.52 H new ATOM 0 HB2 LEU A 29 -1.950 -12.089 6.329 1.00 12.03 H new ATOM 0 HB3 LEU A 29 -2.321 -10.382 6.471 1.00 12.03 H new ATOM 0 HG LEU A 29 -3.771 -10.804 4.309 1.00 20.04 H new ATOM 0 HD11 LEU A 29 -4.793 -13.046 4.261 1.00 74.13 H new ATOM 0 HD12 LEU A 29 -3.052 -13.096 3.898 1.00 74.13 H new ATOM 0 HD13 LEU A 29 -3.640 -13.591 5.503 1.00 74.13 H new ATOM 0 HD21 LEU A 29 -5.714 -11.320 5.757 1.00 13.24 H new ATOM 0 HD22 LEU A 29 -4.603 -11.760 7.075 1.00 13.24 H new ATOM 0 HD23 LEU A 29 -4.656 -10.084 6.479 1.00 13.24 H new ATOM 453 N ALA A 30 -1.239 -12.196 2.692 1.00 0.44 N ATOM 454 CA ALA A 30 -0.856 -13.273 1.771 1.00 64.22 C ATOM 455 C ALA A 30 0.628 -13.165 1.391 1.00 61.43 C ATOM 456 O ALA A 30 1.351 -14.164 1.364 1.00 14.43 O ATOM 457 CB ALA A 30 -1.729 -13.248 0.519 1.00 23.54 C ATOM 0 H ALA A 30 -1.910 -11.531 2.307 1.00 0.44 H new ATOM 0 HA ALA A 30 -1.011 -14.224 2.281 1.00 64.22 H new ATOM 0 HB1 ALA A 30 -1.429 -14.054 -0.150 1.00 23.54 H new ATOM 0 HB2 ALA A 30 -2.773 -13.381 0.801 1.00 23.54 H new ATOM 0 HB3 ALA A 30 -1.609 -12.291 0.011 1.00 23.54 H new ATOM 463 N MET A 31 1.075 -11.943 1.101 1.00 41.31 N ATOM 464 CA MET A 31 2.490 -11.671 0.804 1.00 22.52 C ATOM 465 C MET A 31 3.263 -11.262 2.074 1.00 54.20 C ATOM 466 O MET A 31 4.474 -11.042 2.029 1.00 24.43 O ATOM 467 CB MET A 31 2.598 -10.569 -0.257 1.00 75.55 C ATOM 468 CG MET A 31 2.009 -10.966 -1.605 1.00 11.11 C ATOM 469 SD MET A 31 2.918 -12.312 -2.389 1.00 50.21 S ATOM 470 CE MET A 31 4.512 -11.534 -2.646 1.00 14.33 C ATOM 0 H MET A 31 0.477 -11.118 1.064 1.00 41.31 H new ATOM 0 HA MET A 31 2.938 -12.588 0.421 1.00 22.52 H new ATOM 0 HB2 MET A 31 2.089 -9.676 0.105 1.00 75.55 H new ATOM 0 HB3 MET A 31 3.647 -10.306 -0.391 1.00 75.55 H new ATOM 0 HG2 MET A 31 0.970 -11.265 -1.469 1.00 11.11 H new ATOM 0 HG3 MET A 31 2.008 -10.100 -2.266 1.00 11.11 H new ATOM 0 HE1 MET A 31 5.062 -12.077 -3.415 1.00 14.33 H new ATOM 0 HE2 MET A 31 4.366 -10.502 -2.964 1.00 14.33 H new ATOM 0 HE3 MET A 31 5.079 -11.550 -1.715 1.00 14.33 H new ATOM 480 N LYS A 32 2.543 -11.159 3.195 1.00 21.03 N ATOM 481 CA LYS A 32 3.124 -10.781 4.493 1.00 51.23 C ATOM 482 C LYS A 32 3.743 -9.371 4.471 1.00 63.40 C ATOM 483 O LYS A 32 4.951 -9.198 4.290 1.00 30.13 O ATOM 484 CB LYS A 32 4.133 -11.842 4.969 1.00 11.23 C ATOM 485 CG LYS A 32 3.460 -13.143 5.406 1.00 10.34 C ATOM 486 CD LYS A 32 4.467 -14.238 5.754 1.00 70.01 C ATOM 487 CE LYS A 32 5.211 -14.747 4.522 1.00 32.01 C ATOM 488 NZ LYS A 32 6.023 -15.953 4.831 1.00 62.51 N ATOM 0 H LYS A 32 1.539 -11.335 3.231 1.00 21.03 H new ATOM 0 HA LYS A 32 2.309 -10.744 5.216 1.00 51.23 H new ATOM 0 HB2 LYS A 32 4.837 -12.055 4.164 1.00 11.23 H new ATOM 0 HB3 LYS A 32 4.711 -11.440 5.801 1.00 11.23 H new ATOM 0 HG2 LYS A 32 2.828 -12.947 6.272 1.00 10.34 H new ATOM 0 HG3 LYS A 32 2.807 -13.496 4.608 1.00 10.34 H new ATOM 0 HD2 LYS A 32 5.186 -13.852 6.477 1.00 70.01 H new ATOM 0 HD3 LYS A 32 3.948 -15.069 6.232 1.00 70.01 H new ATOM 0 HE2 LYS A 32 4.494 -14.982 3.735 1.00 32.01 H new ATOM 0 HE3 LYS A 32 5.860 -13.960 4.137 1.00 32.01 H new ATOM 0 HZ1 LYS A 32 6.514 -16.271 3.971 1.00 62.51 H new ATOM 0 HZ2 LYS A 32 6.723 -15.721 5.564 1.00 62.51 H new ATOM 0 HZ3 LYS A 32 5.400 -16.712 5.174 1.00 62.51 H new ATOM 502 N ILE A 33 2.881 -8.368 4.636 1.00 14.32 N ATOM 503 CA ILE A 33 3.289 -6.959 4.695 1.00 42.30 C ATOM 504 C ILE A 33 3.303 -6.452 6.157 1.00 63.44 C ATOM 505 O ILE A 33 2.326 -6.622 6.891 1.00 25.43 O ATOM 506 CB ILE A 33 2.330 -6.081 3.843 1.00 74.40 C ATOM 507 CG1 ILE A 33 2.346 -6.531 2.368 1.00 71.35 C ATOM 508 CG2 ILE A 33 2.686 -4.601 3.954 1.00 61.51 C ATOM 509 CD1 ILE A 33 3.701 -6.416 1.694 1.00 31.41 C ATOM 0 H ILE A 33 1.875 -8.507 4.733 1.00 14.32 H new ATOM 0 HA ILE A 33 4.298 -6.882 4.289 1.00 42.30 H new ATOM 0 HB ILE A 33 1.322 -6.213 4.236 1.00 74.40 H new ATOM 0 HG12 ILE A 33 2.013 -7.567 2.313 1.00 71.35 H new ATOM 0 HG13 ILE A 33 1.624 -5.934 1.810 1.00 71.35 H new ATOM 0 HG21 ILE A 33 1.997 -4.014 3.347 1.00 61.51 H new ATOM 0 HG22 ILE A 33 2.611 -4.286 4.995 1.00 61.51 H new ATOM 0 HG23 ILE A 33 3.705 -4.444 3.600 1.00 61.51 H new ATOM 0 HD11 ILE A 33 3.623 -6.753 0.660 1.00 31.41 H new ATOM 0 HD12 ILE A 33 4.030 -5.377 1.713 1.00 31.41 H new ATOM 0 HD13 ILE A 33 4.425 -7.036 2.224 1.00 31.41 H new ATOM 521 N PRO A 34 4.416 -5.830 6.607 1.00 52.33 N ATOM 522 CA PRO A 34 4.578 -5.386 8.010 1.00 75.03 C ATOM 523 C PRO A 34 3.946 -4.014 8.330 1.00 55.14 C ATOM 524 O PRO A 34 4.311 -3.376 9.324 1.00 62.21 O ATOM 525 CB PRO A 34 6.101 -5.316 8.149 1.00 53.52 C ATOM 526 CG PRO A 34 6.577 -4.908 6.793 1.00 32.24 C ATOM 527 CD PRO A 34 5.623 -5.538 5.802 1.00 75.50 C ATOM 0 HA PRO A 34 4.072 -6.060 8.701 1.00 75.03 H new ATOM 0 HB2 PRO A 34 6.398 -4.593 8.909 1.00 53.52 H new ATOM 0 HB3 PRO A 34 6.518 -6.279 8.444 1.00 53.52 H new ATOM 0 HG2 PRO A 34 6.582 -3.823 6.693 1.00 32.24 H new ATOM 0 HG3 PRO A 34 7.598 -5.248 6.620 1.00 32.24 H new ATOM 0 HD2 PRO A 34 5.399 -4.861 4.977 1.00 75.50 H new ATOM 0 HD3 PRO A 34 6.041 -6.445 5.366 1.00 75.50 H new ATOM 535 N PHE A 35 2.994 -3.567 7.511 1.00 1.40 N ATOM 536 CA PHE A 35 2.309 -2.284 7.741 1.00 21.44 C ATOM 537 C PHE A 35 0.876 -2.296 7.170 1.00 61.31 C ATOM 538 O PHE A 35 0.587 -3.017 6.214 1.00 70.22 O ATOM 539 CB PHE A 35 3.130 -1.114 7.159 1.00 34.51 C ATOM 540 CG PHE A 35 3.546 -1.282 5.718 1.00 34.44 C ATOM 541 CD1 PHE A 35 2.735 -0.835 4.683 1.00 12.14 C ATOM 542 CD2 PHE A 35 4.757 -1.877 5.399 1.00 71.44 C ATOM 543 CE1 PHE A 35 3.128 -0.977 3.365 1.00 21.13 C ATOM 544 CE2 PHE A 35 5.155 -2.018 4.084 1.00 62.12 C ATOM 545 CZ PHE A 35 4.340 -1.570 3.066 1.00 42.00 C ATOM 0 H PHE A 35 2.676 -4.070 6.682 1.00 1.40 H new ATOM 0 HA PHE A 35 2.228 -2.140 8.818 1.00 21.44 H new ATOM 0 HB2 PHE A 35 2.544 -0.199 7.248 1.00 34.51 H new ATOM 0 HB3 PHE A 35 4.025 -0.980 7.767 1.00 34.51 H new ATOM 0 HD1 PHE A 35 1.787 -0.371 4.910 1.00 12.14 H new ATOM 0 HD2 PHE A 35 5.399 -2.235 6.190 1.00 71.44 H new ATOM 0 HE1 PHE A 35 2.488 -0.625 2.570 1.00 21.13 H new ATOM 0 HE2 PHE A 35 6.104 -2.479 3.853 1.00 62.12 H new ATOM 0 HZ PHE A 35 4.648 -1.682 2.037 1.00 42.00 H new ATOM 555 N PRO A 36 -0.040 -1.493 7.759 1.00 60.02 N ATOM 556 CA PRO A 36 -1.469 -1.500 7.390 1.00 32.45 C ATOM 557 C PRO A 36 -1.772 -0.802 6.053 1.00 20.32 C ATOM 558 O PRO A 36 -1.041 0.092 5.615 1.00 54.43 O ATOM 559 CB PRO A 36 -2.120 -0.736 8.548 1.00 12.14 C ATOM 560 CG PRO A 36 -1.067 0.215 8.998 1.00 63.55 C ATOM 561 CD PRO A 36 0.242 -0.514 8.831 1.00 43.12 C ATOM 0 HA PRO A 36 -1.837 -2.516 7.245 1.00 32.45 H new ATOM 0 HB2 PRO A 36 -3.018 -0.211 8.223 1.00 12.14 H new ATOM 0 HB3 PRO A 36 -2.418 -1.410 9.352 1.00 12.14 H new ATOM 0 HG2 PRO A 36 -1.085 1.128 8.403 1.00 63.55 H new ATOM 0 HG3 PRO A 36 -1.222 0.508 10.036 1.00 63.55 H new ATOM 0 HD2 PRO A 36 1.047 0.166 8.552 1.00 43.12 H new ATOM 0 HD3 PRO A 36 0.547 -1.007 9.754 1.00 43.12 H new ATOM 569 N THR A 37 -2.880 -1.203 5.430 1.00 50.23 N ATOM 570 CA THR A 37 -3.307 -0.647 4.141 1.00 24.54 C ATOM 571 C THR A 37 -3.666 0.839 4.251 1.00 73.04 C ATOM 572 O THR A 37 -3.426 1.614 3.325 1.00 41.33 O ATOM 573 CB THR A 37 -4.517 -1.421 3.566 1.00 52.42 C ATOM 574 OG1 THR A 37 -5.608 -1.399 4.503 1.00 44.24 O ATOM 575 CG2 THR A 37 -4.138 -2.868 3.252 1.00 12.15 C ATOM 0 H THR A 37 -3.506 -1.918 5.800 1.00 50.23 H new ATOM 0 HA THR A 37 -2.459 -0.753 3.464 1.00 24.54 H new ATOM 0 HB THR A 37 -4.824 -0.933 2.641 1.00 52.42 H new ATOM 0 HG1 THR A 37 -6.270 -2.075 4.250 1.00 44.24 H new ATOM 0 HG21 THR A 37 -5.005 -3.392 2.849 1.00 12.15 H new ATOM 0 HG22 THR A 37 -3.332 -2.882 2.518 1.00 12.15 H new ATOM 0 HG23 THR A 37 -3.806 -3.363 4.165 1.00 12.15 H new ATOM 583 N ASP A 38 -4.231 1.236 5.392 1.00 24.25 N ATOM 584 CA ASP A 38 -4.572 2.643 5.643 1.00 12.11 C ATOM 585 C ASP A 38 -3.347 3.556 5.470 1.00 62.43 C ATOM 586 O ASP A 38 -3.424 4.608 4.826 1.00 14.12 O ATOM 587 CB ASP A 38 -5.143 2.803 7.053 1.00 22.22 C ATOM 588 CG ASP A 38 -6.360 1.932 7.281 1.00 74.35 C ATOM 589 OD1 ASP A 38 -7.477 2.346 6.912 1.00 52.35 O ATOM 590 OD2 ASP A 38 -6.205 0.817 7.821 1.00 43.00 O ATOM 0 H ASP A 38 -4.463 0.605 6.159 1.00 24.25 H new ATOM 0 HA ASP A 38 -5.323 2.940 4.911 1.00 12.11 H new ATOM 0 HB2 ASP A 38 -4.375 2.550 7.784 1.00 22.22 H new ATOM 0 HB3 ASP A 38 -5.410 3.847 7.219 1.00 22.22 H new ATOM 595 N LYS A 39 -2.218 3.138 6.039 1.00 14.50 N ATOM 596 CA LYS A 39 -0.960 3.885 5.922 1.00 44.52 C ATOM 597 C LYS A 39 -0.538 4.028 4.447 1.00 31.53 C ATOM 598 O LYS A 39 -0.079 5.087 4.019 1.00 61.23 O ATOM 599 CB LYS A 39 0.140 3.181 6.732 1.00 63.54 C ATOM 600 CG LYS A 39 1.488 3.895 6.706 1.00 54.04 C ATOM 601 CD LYS A 39 2.516 3.215 7.610 1.00 70.52 C ATOM 602 CE LYS A 39 2.112 3.278 9.081 1.00 41.14 C ATOM 603 NZ LYS A 39 3.157 2.704 9.972 1.00 34.02 N ATOM 0 H LYS A 39 -2.145 2.282 6.589 1.00 14.50 H new ATOM 0 HA LYS A 39 -1.112 4.887 6.324 1.00 44.52 H new ATOM 0 HB2 LYS A 39 -0.189 3.088 7.767 1.00 63.54 H new ATOM 0 HB3 LYS A 39 0.269 2.170 6.346 1.00 63.54 H new ATOM 0 HG2 LYS A 39 1.865 3.920 5.684 1.00 54.04 H new ATOM 0 HG3 LYS A 39 1.356 4.930 7.022 1.00 54.04 H new ATOM 0 HD2 LYS A 39 2.631 2.174 7.310 1.00 70.52 H new ATOM 0 HD3 LYS A 39 3.487 3.693 7.479 1.00 70.52 H new ATOM 0 HE2 LYS A 39 1.926 4.315 9.362 1.00 41.14 H new ATOM 0 HE3 LYS A 39 1.177 2.736 9.224 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 2.842 2.767 10.961 1.00 34.02 H new ATOM 0 HZ2 LYS A 39 3.317 1.707 9.722 1.00 34.02 H new ATOM 0 HZ3 LYS A 39 4.043 3.236 9.856 1.00 34.02 H new ATOM 617 N ILE A 40 -0.727 2.958 3.675 1.00 64.21 N ATOM 618 CA ILE A 40 -0.427 2.965 2.234 1.00 74.41 C ATOM 619 C ILE A 40 -1.246 4.039 1.488 1.00 44.24 C ATOM 620 O ILE A 40 -0.793 4.608 0.488 1.00 25.30 O ATOM 621 CB ILE A 40 -0.731 1.578 1.606 1.00 61.11 C ATOM 622 CG1 ILE A 40 0.059 0.473 2.330 1.00 51.12 C ATOM 623 CG2 ILE A 40 -0.422 1.576 0.106 1.00 52.53 C ATOM 624 CD1 ILE A 40 -0.255 -0.928 1.842 1.00 24.41 C ATOM 0 H ILE A 40 -1.088 2.069 4.021 1.00 64.21 H new ATOM 0 HA ILE A 40 0.633 3.195 2.130 1.00 74.41 H new ATOM 0 HB ILE A 40 -1.795 1.375 1.728 1.00 61.11 H new ATOM 0 HG12 ILE A 40 1.125 0.660 2.204 1.00 51.12 H new ATOM 0 HG13 ILE A 40 -0.151 0.531 3.398 1.00 51.12 H new ATOM 0 HG21 ILE A 40 -0.643 0.593 -0.310 1.00 52.53 H new ATOM 0 HG22 ILE A 40 -1.034 2.327 -0.393 1.00 52.53 H new ATOM 0 HG23 ILE A 40 0.632 1.806 -0.049 1.00 52.53 H new ATOM 0 HD11 ILE A 40 0.341 -1.650 2.400 1.00 24.41 H new ATOM 0 HD12 ILE A 40 -1.314 -1.137 1.993 1.00 24.41 H new ATOM 0 HD13 ILE A 40 -0.018 -1.005 0.781 1.00 24.41 H new ATOM 636 N VAL A 41 -2.452 4.311 1.985 1.00 35.11 N ATOM 637 CA VAL A 41 -3.378 5.245 1.333 1.00 13.10 C ATOM 638 C VAL A 41 -3.158 6.705 1.776 1.00 11.12 C ATOM 639 O VAL A 41 -2.991 7.595 0.942 1.00 24.24 O ATOM 640 CB VAL A 41 -4.849 4.844 1.619 1.00 75.51 C ATOM 641 CG1 VAL A 41 -5.831 5.809 0.952 1.00 12.51 C ATOM 642 CG2 VAL A 41 -5.109 3.403 1.173 1.00 42.42 C ATOM 0 H VAL A 41 -2.815 3.896 2.843 1.00 35.11 H new ATOM 0 HA VAL A 41 -3.174 5.184 0.264 1.00 13.10 H new ATOM 0 HB VAL A 41 -5.010 4.906 2.695 1.00 75.51 H new ATOM 0 HG11 VAL A 41 -6.852 5.499 1.173 1.00 12.51 H new ATOM 0 HG12 VAL A 41 -5.667 6.817 1.334 1.00 12.51 H new ATOM 0 HG13 VAL A 41 -5.674 5.800 -0.127 1.00 12.51 H new ATOM 0 HG21 VAL A 41 -6.146 3.139 1.381 1.00 42.42 H new ATOM 0 HG22 VAL A 41 -4.920 3.313 0.103 1.00 42.42 H new ATOM 0 HG23 VAL A 41 -4.447 2.729 1.716 1.00 42.42 H new ATOM 652 N ASN A 42 -3.154 6.944 3.089 1.00 13.24 N ATOM 653 CA ASN A 42 -3.112 8.312 3.629 1.00 23.13 C ATOM 654 C ASN A 42 -1.749 9.004 3.435 1.00 24.20 C ATOM 655 O ASN A 42 -1.674 10.237 3.453 1.00 74.41 O ATOM 656 CB ASN A 42 -3.496 8.322 5.112 1.00 1.22 C ATOM 657 CG ASN A 42 -4.933 7.886 5.338 1.00 44.43 C ATOM 658 OD1 ASN A 42 -5.861 8.683 5.228 1.00 52.41 O ATOM 659 ND2 ASN A 42 -5.131 6.627 5.673 1.00 74.25 N ATOM 0 H ASN A 42 -3.179 6.213 3.800 1.00 13.24 H new ATOM 0 HA ASN A 42 -3.842 8.884 3.056 1.00 23.13 H new ATOM 0 HB2 ASN A 42 -2.827 7.661 5.663 1.00 1.22 H new ATOM 0 HB3 ASN A 42 -3.355 9.325 5.515 1.00 1.22 H new ATOM 0 HD21 ASN A 42 -6.077 6.289 5.849 1.00 74.25 H new ATOM 0 HD22 ASN A 42 -4.338 5.991 5.756 1.00 74.25 H new ATOM 666 N LEU A 43 -0.676 8.233 3.259 1.00 33.14 N ATOM 667 CA LEU A 43 0.647 8.822 3.003 1.00 32.34 C ATOM 668 C LEU A 43 0.716 9.451 1.601 1.00 41.41 C ATOM 669 O LEU A 43 0.184 8.896 0.638 1.00 63.41 O ATOM 670 CB LEU A 43 1.760 7.767 3.146 1.00 5.44 C ATOM 671 CG LEU A 43 2.037 7.276 4.575 1.00 51.13 C ATOM 672 CD1 LEU A 43 3.165 6.242 4.579 1.00 24.55 C ATOM 673 CD2 LEU A 43 2.375 8.446 5.498 1.00 21.33 C ATOM 0 H LEU A 43 -0.690 7.213 3.287 1.00 33.14 H new ATOM 0 HA LEU A 43 0.800 9.603 3.747 1.00 32.34 H new ATOM 0 HB2 LEU A 43 1.500 6.906 2.530 1.00 5.44 H new ATOM 0 HB3 LEU A 43 2.682 8.182 2.740 1.00 5.44 H new ATOM 0 HG LEU A 43 1.132 6.800 4.951 1.00 51.13 H new ATOM 0 HD11 LEU A 43 3.347 5.906 5.600 1.00 24.55 H new ATOM 0 HD12 LEU A 43 2.880 5.390 3.962 1.00 24.55 H new ATOM 0 HD13 LEU A 43 4.073 6.693 4.178 1.00 24.55 H new ATOM 0 HD21 LEU A 43 2.567 8.072 6.504 1.00 21.33 H new ATOM 0 HD22 LEU A 43 3.262 8.958 5.126 1.00 21.33 H new ATOM 0 HD23 LEU A 43 1.537 9.143 5.524 1.00 21.33 H new ATOM 685 N PRO A 44 1.359 10.630 1.464 1.00 2.32 N ATOM 686 CA PRO A 44 1.572 11.254 0.148 1.00 13.34 C ATOM 687 C PRO A 44 2.550 10.445 -0.725 1.00 5.13 C ATOM 688 O PRO A 44 3.325 9.638 -0.209 1.00 31.15 O ATOM 689 CB PRO A 44 2.150 12.635 0.493 1.00 71.43 C ATOM 690 CG PRO A 44 2.757 12.470 1.846 1.00 62.31 C ATOM 691 CD PRO A 44 1.913 11.446 2.563 1.00 23.10 C ATOM 0 HA PRO A 44 0.654 11.307 -0.437 1.00 13.34 H new ATOM 0 HB2 PRO A 44 2.895 12.945 -0.239 1.00 71.43 H new ATOM 0 HB3 PRO A 44 1.372 13.399 0.499 1.00 71.43 H new ATOM 0 HG2 PRO A 44 3.792 12.137 1.770 1.00 62.31 H new ATOM 0 HG3 PRO A 44 2.765 13.416 2.387 1.00 62.31 H new ATOM 0 HD2 PRO A 44 2.508 10.844 3.250 1.00 23.10 H new ATOM 0 HD3 PRO A 44 1.125 11.916 3.152 1.00 23.10 H new ATOM 699 N VAL A 45 2.517 10.673 -2.042 1.00 74.34 N ATOM 700 CA VAL A 45 3.350 9.916 -2.994 1.00 11.13 C ATOM 701 C VAL A 45 4.825 9.821 -2.544 1.00 12.53 C ATOM 702 O VAL A 45 5.467 8.785 -2.716 1.00 23.20 O ATOM 703 CB VAL A 45 3.279 10.532 -4.417 1.00 1.11 C ATOM 704 CG1 VAL A 45 3.835 11.954 -4.431 1.00 30.14 C ATOM 705 CG2 VAL A 45 4.004 9.650 -5.436 1.00 73.33 C ATOM 0 H VAL A 45 1.922 11.377 -2.478 1.00 74.34 H new ATOM 0 HA VAL A 45 2.941 8.906 -3.018 1.00 11.13 H new ATOM 0 HB VAL A 45 2.229 10.582 -4.704 1.00 1.11 H new ATOM 0 HG11 VAL A 45 3.772 12.359 -5.441 1.00 30.14 H new ATOM 0 HG12 VAL A 45 3.254 12.579 -3.752 1.00 30.14 H new ATOM 0 HG13 VAL A 45 4.876 11.941 -4.110 1.00 30.14 H new ATOM 0 HG21 VAL A 45 3.938 10.106 -6.424 1.00 73.33 H new ATOM 0 HG22 VAL A 45 5.051 9.551 -5.151 1.00 73.33 H new ATOM 0 HG23 VAL A 45 3.539 8.664 -5.460 1.00 73.33 H new ATOM 715 N ASP A 46 5.346 10.901 -1.957 1.00 44.33 N ATOM 716 CA ASP A 46 6.715 10.913 -1.432 1.00 75.44 C ATOM 717 C ASP A 46 6.910 9.842 -0.345 1.00 13.15 C ATOM 718 O ASP A 46 7.705 8.915 -0.508 1.00 35.42 O ATOM 719 CB ASP A 46 7.046 12.296 -0.864 1.00 10.33 C ATOM 720 CG ASP A 46 6.918 13.389 -1.907 1.00 51.35 C ATOM 721 OD1 ASP A 46 7.872 13.585 -2.685 1.00 21.54 O ATOM 722 OD2 ASP A 46 5.860 14.051 -1.961 1.00 24.14 O ATOM 0 H ASP A 46 4.841 11.779 -1.833 1.00 44.33 H new ATOM 0 HA ASP A 46 7.391 10.685 -2.256 1.00 75.44 H new ATOM 0 HB2 ASP A 46 6.380 12.513 -0.029 1.00 10.33 H new ATOM 0 HB3 ASP A 46 8.062 12.291 -0.468 1.00 10.33 H new ATOM 727 N ASP A 47 6.165 9.971 0.753 1.00 43.03 N ATOM 728 CA ASP A 47 6.224 9.007 1.854 1.00 61.41 C ATOM 729 C ASP A 47 5.849 7.588 1.390 1.00 53.23 C ATOM 730 O ASP A 47 6.274 6.602 1.991 1.00 44.13 O ATOM 731 CB ASP A 47 5.299 9.455 2.988 1.00 62.15 C ATOM 732 CG ASP A 47 5.747 10.768 3.608 1.00 5.50 C ATOM 733 OD1 ASP A 47 5.692 11.803 2.916 1.00 52.04 O ATOM 734 OD2 ASP A 47 6.167 10.769 4.786 1.00 52.14 O ATOM 0 H ASP A 47 5.510 10.738 0.905 1.00 43.03 H new ATOM 0 HA ASP A 47 7.252 8.973 2.215 1.00 61.41 H new ATOM 0 HB2 ASP A 47 4.284 9.563 2.606 1.00 62.15 H new ATOM 0 HB3 ASP A 47 5.269 8.683 3.757 1.00 62.15 H new ATOM 739 N PHE A 48 5.053 7.494 0.324 1.00 52.24 N ATOM 740 CA PHE A 48 4.703 6.201 -0.278 1.00 51.23 C ATOM 741 C PHE A 48 5.936 5.547 -0.929 1.00 54.12 C ATOM 742 O PHE A 48 6.240 4.380 -0.678 1.00 72.11 O ATOM 743 CB PHE A 48 3.586 6.383 -1.314 1.00 74.42 C ATOM 744 CG PHE A 48 3.233 5.116 -2.055 1.00 70.40 C ATOM 745 CD1 PHE A 48 2.509 4.109 -1.434 1.00 34.00 C ATOM 746 CD2 PHE A 48 3.635 4.930 -3.372 1.00 62.34 C ATOM 747 CE1 PHE A 48 2.192 2.947 -2.112 1.00 52.40 C ATOM 748 CE2 PHE A 48 3.321 3.770 -4.051 1.00 60.31 C ATOM 749 CZ PHE A 48 2.600 2.777 -3.420 1.00 23.20 C ATOM 0 H PHE A 48 4.636 8.299 -0.144 1.00 52.24 H new ATOM 0 HA PHE A 48 4.346 5.541 0.513 1.00 51.23 H new ATOM 0 HB2 PHE A 48 2.695 6.760 -0.812 1.00 74.42 H new ATOM 0 HB3 PHE A 48 3.891 7.142 -2.035 1.00 74.42 H new ATOM 0 HD1 PHE A 48 2.190 4.234 -0.410 1.00 34.00 H new ATOM 0 HD2 PHE A 48 4.201 5.703 -3.871 1.00 62.34 H new ATOM 0 HE1 PHE A 48 1.625 2.172 -1.618 1.00 52.40 H new ATOM 0 HE2 PHE A 48 3.639 3.640 -5.075 1.00 60.31 H new ATOM 0 HZ PHE A 48 2.355 1.868 -3.949 1.00 23.20 H new ATOM 759 N ASN A 49 6.646 6.307 -1.762 1.00 53.31 N ATOM 760 CA ASN A 49 7.888 5.823 -2.377 1.00 22.13 C ATOM 761 C ASN A 49 8.935 5.487 -1.300 1.00 42.33 C ATOM 762 O ASN A 49 9.665 4.498 -1.403 1.00 11.20 O ATOM 763 CB ASN A 49 8.441 6.876 -3.344 1.00 44.42 C ATOM 764 CG ASN A 49 7.529 7.117 -4.536 1.00 2.53 C ATOM 765 OD1 ASN A 49 6.866 6.208 -5.025 1.00 1.44 O ATOM 766 ND2 ASN A 49 7.489 8.343 -5.013 1.00 55.11 N ATOM 0 H ASN A 49 6.386 7.257 -2.028 1.00 53.31 H new ATOM 0 HA ASN A 49 7.666 4.912 -2.933 1.00 22.13 H new ATOM 0 HB2 ASN A 49 8.587 7.814 -2.808 1.00 44.42 H new ATOM 0 HB3 ASN A 49 9.420 6.557 -3.700 1.00 44.42 H new ATOM 0 HD21 ASN A 49 6.894 8.560 -5.813 1.00 55.11 H new ATOM 0 HD22 ASN A 49 8.053 9.076 -4.583 1.00 55.11 H new ATOM 773 N GLU A 50 8.990 6.315 -0.259 1.00 21.22 N ATOM 774 CA GLU A 50 9.877 6.065 0.884 1.00 5.43 C ATOM 775 C GLU A 50 9.414 4.837 1.685 1.00 2.31 C ATOM 776 O GLU A 50 10.231 4.094 2.223 1.00 14.04 O ATOM 777 CB GLU A 50 9.934 7.290 1.803 1.00 40.13 C ATOM 778 CG GLU A 50 10.428 8.560 1.116 1.00 61.21 C ATOM 779 CD GLU A 50 10.571 9.722 2.083 1.00 71.24 C ATOM 780 OE1 GLU A 50 9.567 10.410 2.362 1.00 11.45 O ATOM 781 OE2 GLU A 50 11.698 9.947 2.578 1.00 41.41 O ATOM 0 H GLU A 50 8.433 7.166 -0.180 1.00 21.22 H new ATOM 0 HA GLU A 50 10.874 5.869 0.491 1.00 5.43 H new ATOM 0 HB2 GLU A 50 8.939 7.473 2.210 1.00 40.13 H new ATOM 0 HB3 GLU A 50 10.587 7.068 2.647 1.00 40.13 H new ATOM 0 HG2 GLU A 50 11.390 8.363 0.643 1.00 61.21 H new ATOM 0 HG3 GLU A 50 9.733 8.835 0.322 1.00 61.21 H new ATOM 788 N LEU A 51 8.100 4.632 1.747 1.00 75.42 N ATOM 789 CA LEU A 51 7.508 3.490 2.459 1.00 3.20 C ATOM 790 C LEU A 51 8.084 2.165 1.939 1.00 13.02 C ATOM 791 O LEU A 51 8.476 1.285 2.711 1.00 24.20 O ATOM 792 CB LEU A 51 5.980 3.510 2.275 1.00 22.02 C ATOM 793 CG LEU A 51 5.180 2.508 3.120 1.00 53.14 C ATOM 794 CD1 LEU A 51 5.293 2.846 4.602 1.00 72.14 C ATOM 795 CD2 LEU A 51 3.716 2.483 2.679 1.00 5.14 C ATOM 0 H LEU A 51 7.414 5.247 1.309 1.00 75.42 H new ATOM 0 HA LEU A 51 7.750 3.572 3.519 1.00 3.20 H new ATOM 0 HB2 LEU A 51 5.621 4.514 2.503 1.00 22.02 H new ATOM 0 HB3 LEU A 51 5.759 3.324 1.224 1.00 22.02 H new ATOM 0 HG LEU A 51 5.600 1.514 2.965 1.00 53.14 H new ATOM 0 HD11 LEU A 51 4.720 2.125 5.184 1.00 72.14 H new ATOM 0 HD12 LEU A 51 6.339 2.807 4.905 1.00 72.14 H new ATOM 0 HD13 LEU A 51 4.901 3.848 4.778 1.00 72.14 H new ATOM 0 HD21 LEU A 51 3.164 1.767 3.289 1.00 5.14 H new ATOM 0 HD22 LEU A 51 3.282 3.475 2.802 1.00 5.14 H new ATOM 0 HD23 LEU A 51 3.657 2.189 1.631 1.00 5.14 H new ATOM 807 N LEU A 52 8.155 2.055 0.615 1.00 35.44 N ATOM 808 CA LEU A 52 8.705 0.869 -0.050 1.00 51.12 C ATOM 809 C LEU A 52 10.211 0.701 0.229 1.00 11.53 C ATOM 810 O LEU A 52 10.738 -0.410 0.190 1.00 32.23 O ATOM 811 CB LEU A 52 8.465 0.964 -1.565 1.00 40.55 C ATOM 812 CG LEU A 52 6.992 1.099 -1.987 1.00 74.40 C ATOM 813 CD1 LEU A 52 6.868 1.220 -3.506 1.00 13.43 C ATOM 814 CD2 LEU A 52 6.170 -0.080 -1.463 1.00 55.15 C ATOM 0 H LEU A 52 7.836 2.780 -0.028 1.00 35.44 H new ATOM 0 HA LEU A 52 8.193 -0.005 0.353 1.00 51.12 H new ATOM 0 HB2 LEU A 52 9.017 1.821 -1.951 1.00 40.55 H new ATOM 0 HB3 LEU A 52 8.882 0.076 -2.039 1.00 40.55 H new ATOM 0 HG LEU A 52 6.594 2.013 -1.545 1.00 74.40 H new ATOM 0 HD11 LEU A 52 5.817 1.314 -3.779 1.00 13.43 H new ATOM 0 HD12 LEU A 52 7.412 2.101 -3.846 1.00 13.43 H new ATOM 0 HD13 LEU A 52 7.287 0.331 -3.977 1.00 13.43 H new ATOM 0 HD21 LEU A 52 5.131 0.035 -1.772 1.00 55.15 H new ATOM 0 HD22 LEU A 52 6.569 -1.010 -1.868 1.00 55.15 H new ATOM 0 HD23 LEU A 52 6.224 -0.106 -0.375 1.00 55.15 H new ATOM 826 N ALA A 53 10.898 1.812 0.493 1.00 71.20 N ATOM 827 CA ALA A 53 12.339 1.789 0.781 1.00 51.04 C ATOM 828 C ALA A 53 12.633 1.603 2.283 1.00 32.04 C ATOM 829 O ALA A 53 13.700 1.118 2.659 1.00 74.41 O ATOM 830 CB ALA A 53 12.989 3.073 0.275 1.00 53.30 C ATOM 0 H ALA A 53 10.482 2.743 0.514 1.00 71.20 H new ATOM 0 HA ALA A 53 12.763 0.930 0.260 1.00 51.04 H new ATOM 0 HB1 ALA A 53 14.057 3.050 0.491 1.00 53.30 H new ATOM 0 HB2 ALA A 53 12.839 3.157 -0.801 1.00 53.30 H new ATOM 0 HB3 ALA A 53 12.536 3.931 0.773 1.00 53.30 H new ATOM 836 N ARG A 54 11.689 2.004 3.135 1.00 43.14 N ATOM 837 CA ARG A 54 11.869 1.927 4.594 1.00 73.30 C ATOM 838 C ARG A 54 11.604 0.513 5.136 1.00 43.14 C ATOM 839 O ARG A 54 12.340 0.020 5.993 1.00 75.41 O ATOM 840 CB ARG A 54 10.958 2.951 5.296 1.00 31.22 C ATOM 841 CG ARG A 54 11.426 4.395 5.129 1.00 72.21 C ATOM 842 CD ARG A 54 10.460 5.396 5.761 1.00 52.43 C ATOM 843 NE ARG A 54 11.051 6.733 5.860 1.00 75.33 N ATOM 844 CZ ARG A 54 10.399 7.854 5.689 1.00 24.11 C ATOM 845 NH1 ARG A 54 9.155 7.852 5.342 1.00 1.52 N ATOM 846 NH2 ARG A 54 11.004 8.985 5.850 1.00 3.43 N ATOM 0 H ARG A 54 10.789 2.387 2.844 1.00 43.14 H new ATOM 0 HA ARG A 54 12.911 2.165 4.809 1.00 73.30 H new ATOM 0 HB2 ARG A 54 9.946 2.857 4.901 1.00 31.22 H new ATOM 0 HB3 ARG A 54 10.909 2.714 6.359 1.00 31.22 H new ATOM 0 HG2 ARG A 54 12.411 4.510 5.581 1.00 72.21 H new ATOM 0 HG3 ARG A 54 11.534 4.619 4.068 1.00 72.21 H new ATOM 0 HD2 ARG A 54 9.547 5.445 5.167 1.00 52.43 H new ATOM 0 HD3 ARG A 54 10.176 5.050 6.755 1.00 52.43 H new ATOM 0 HE ARG A 54 12.045 6.794 6.079 1.00 75.33 H new ATOM 0 HH11 ARG A 54 8.667 6.968 5.197 1.00 1.52 H new ATOM 0 HH12 ARG A 54 8.660 8.735 5.213 1.00 1.52 H new ATOM 0 HH21 ARG A 54 11.990 9.003 6.110 1.00 3.43 H new ATOM 0 HH22 ARG A 54 10.495 9.859 5.717 1.00 3.43 H new ATOM 860 N TYR A 55 10.553 -0.137 4.640 1.00 65.34 N ATOM 861 CA TYR A 55 10.219 -1.505 5.066 1.00 34.42 C ATOM 862 C TYR A 55 10.808 -2.553 4.101 1.00 4.42 C ATOM 863 O TYR A 55 10.610 -2.464 2.889 1.00 63.33 O ATOM 864 CB TYR A 55 8.696 -1.682 5.159 1.00 22.42 C ATOM 865 CG TYR A 55 8.041 -0.853 6.251 1.00 64.24 C ATOM 866 CD1 TYR A 55 7.660 0.465 6.019 1.00 40.30 C ATOM 867 CD2 TYR A 55 7.788 -1.395 7.510 1.00 73.01 C ATOM 868 CE1 TYR A 55 7.053 1.217 7.007 1.00 20.11 C ATOM 869 CE2 TYR A 55 7.177 -0.648 8.499 1.00 55.04 C ATOM 870 CZ TYR A 55 6.811 0.656 8.242 1.00 75.42 C ATOM 871 OH TYR A 55 6.192 1.402 9.221 1.00 25.33 O ATOM 0 H TYR A 55 9.917 0.255 3.945 1.00 65.34 H new ATOM 0 HA TYR A 55 10.659 -1.660 6.051 1.00 34.42 H new ATOM 0 HB2 TYR A 55 8.251 -1.417 4.200 1.00 22.42 H new ATOM 0 HB3 TYR A 55 8.473 -2.735 5.334 1.00 22.42 H new ATOM 0 HD1 TYR A 55 7.842 0.908 5.051 1.00 40.30 H new ATOM 0 HD2 TYR A 55 8.074 -2.416 7.716 1.00 73.01 H new ATOM 0 HE1 TYR A 55 6.769 2.241 6.812 1.00 20.11 H new ATOM 0 HE2 TYR A 55 6.987 -1.084 9.469 1.00 55.04 H new ATOM 0 HH TYR A 55 6.094 0.861 10.032 1.00 25.33 H new ATOM 881 N PRO A 56 11.542 -3.563 4.623 1.00 4.10 N ATOM 882 CA PRO A 56 12.137 -4.629 3.790 1.00 11.21 C ATOM 883 C PRO A 56 11.080 -5.455 3.030 1.00 72.55 C ATOM 884 O PRO A 56 10.372 -6.273 3.624 1.00 72.00 O ATOM 885 CB PRO A 56 12.887 -5.512 4.805 1.00 15.22 C ATOM 886 CG PRO A 56 13.065 -4.651 6.011 1.00 63.23 C ATOM 887 CD PRO A 56 11.864 -3.744 6.051 1.00 75.21 C ATOM 0 HA PRO A 56 12.778 -4.215 3.012 1.00 11.21 H new ATOM 0 HB2 PRO A 56 12.318 -6.411 5.043 1.00 15.22 H new ATOM 0 HB3 PRO A 56 13.848 -5.839 4.409 1.00 15.22 H new ATOM 0 HG2 PRO A 56 13.129 -5.255 6.916 1.00 63.23 H new ATOM 0 HG3 PRO A 56 13.988 -4.075 5.947 1.00 63.23 H new ATOM 0 HD2 PRO A 56 11.036 -4.194 6.598 1.00 75.21 H new ATOM 0 HD3 PRO A 56 12.090 -2.795 6.538 1.00 75.21 H new ATOM 895 N LEU A 57 10.972 -5.228 1.720 1.00 52.51 N ATOM 896 CA LEU A 57 9.985 -5.922 0.881 1.00 62.53 C ATOM 897 C LEU A 57 10.619 -6.452 -0.415 1.00 44.22 C ATOM 898 O LEU A 57 11.588 -5.884 -0.929 1.00 12.13 O ATOM 899 CB LEU A 57 8.831 -4.971 0.519 1.00 53.50 C ATOM 900 CG LEU A 57 8.031 -4.395 1.701 1.00 61.40 C ATOM 901 CD1 LEU A 57 7.000 -3.385 1.204 1.00 74.24 C ATOM 902 CD2 LEU A 57 7.355 -5.509 2.503 1.00 74.43 C ATOM 0 H LEU A 57 11.558 -4.566 1.212 1.00 52.51 H new ATOM 0 HA LEU A 57 9.606 -6.767 1.456 1.00 62.53 H new ATOM 0 HB2 LEU A 57 9.239 -4.140 -0.056 1.00 53.50 H new ATOM 0 HB3 LEU A 57 8.141 -5.503 -0.136 1.00 53.50 H new ATOM 0 HG LEU A 57 8.727 -3.882 2.364 1.00 61.40 H new ATOM 0 HD11 LEU A 57 6.443 -2.987 2.052 1.00 74.24 H new ATOM 0 HD12 LEU A 57 7.508 -2.570 0.689 1.00 74.24 H new ATOM 0 HD13 LEU A 57 6.312 -3.876 0.516 1.00 74.24 H new ATOM 0 HD21 LEU A 57 6.797 -5.073 3.332 1.00 74.43 H new ATOM 0 HD22 LEU A 57 6.673 -6.060 1.856 1.00 74.43 H new ATOM 0 HD23 LEU A 57 8.113 -6.188 2.893 1.00 74.43 H new ATOM 914 N THR A 58 10.074 -7.548 -0.934 1.00 63.34 N ATOM 915 CA THR A 58 10.478 -8.067 -2.245 1.00 73.42 C ATOM 916 C THR A 58 9.743 -7.321 -3.364 1.00 73.42 C ATOM 917 O THR A 58 8.677 -6.750 -3.137 1.00 24.04 O ATOM 918 CB THR A 58 10.187 -9.578 -2.387 1.00 52.13 C ATOM 919 OG1 THR A 58 8.778 -9.829 -2.261 1.00 35.44 O ATOM 920 CG2 THR A 58 10.947 -10.386 -1.342 1.00 61.22 C ATOM 0 H THR A 58 9.351 -8.097 -0.470 1.00 63.34 H new ATOM 0 HA THR A 58 11.554 -7.911 -2.327 1.00 73.42 H new ATOM 0 HB THR A 58 10.523 -9.890 -3.376 1.00 52.13 H new ATOM 0 HG1 THR A 58 8.607 -10.789 -2.354 1.00 35.44 H new ATOM 0 HG21 THR A 58 10.722 -11.445 -1.467 1.00 61.22 H new ATOM 0 HG22 THR A 58 12.018 -10.225 -1.466 1.00 61.22 H new ATOM 0 HG23 THR A 58 10.645 -10.066 -0.345 1.00 61.22 H new ATOM 928 N GLU A 59 10.308 -7.332 -4.571 1.00 31.13 N ATOM 929 CA GLU A 59 9.728 -6.601 -5.710 1.00 73.32 C ATOM 930 C GLU A 59 8.224 -6.894 -5.886 1.00 30.22 C ATOM 931 O GLU A 59 7.434 -5.990 -6.171 1.00 5.43 O ATOM 932 CB GLU A 59 10.492 -6.940 -6.997 1.00 12.13 C ATOM 933 CG GLU A 59 11.979 -6.601 -6.929 1.00 71.21 C ATOM 934 CD GLU A 59 12.237 -5.124 -6.662 1.00 52.35 C ATOM 935 OE1 GLU A 59 12.100 -4.315 -7.603 1.00 2.22 O ATOM 936 OE2 GLU A 59 12.586 -4.766 -5.516 1.00 3.35 O ATOM 0 H GLU A 59 11.166 -7.837 -4.791 1.00 31.13 H new ATOM 0 HA GLU A 59 9.826 -5.536 -5.500 1.00 73.32 H new ATOM 0 HB2 GLU A 59 10.379 -8.003 -7.208 1.00 12.13 H new ATOM 0 HB3 GLU A 59 10.042 -6.400 -7.830 1.00 12.13 H new ATOM 0 HG2 GLU A 59 12.446 -7.194 -6.143 1.00 71.21 H new ATOM 0 HG3 GLU A 59 12.455 -6.884 -7.868 1.00 71.21 H new ATOM 943 N SER A 60 7.834 -8.156 -5.696 1.00 75.42 N ATOM 944 CA SER A 60 6.415 -8.546 -5.751 1.00 15.02 C ATOM 945 C SER A 60 5.592 -7.831 -4.668 1.00 70.45 C ATOM 946 O SER A 60 4.439 -7.457 -4.895 1.00 4.00 O ATOM 947 CB SER A 60 6.263 -10.066 -5.592 1.00 50.14 C ATOM 948 OG SER A 60 6.894 -10.771 -6.652 1.00 31.33 O ATOM 0 H SER A 60 8.474 -8.926 -5.503 1.00 75.42 H new ATOM 0 HA SER A 60 6.035 -8.246 -6.728 1.00 15.02 H new ATOM 0 HB2 SER A 60 6.694 -10.377 -4.641 1.00 50.14 H new ATOM 0 HB3 SER A 60 5.205 -10.325 -5.562 1.00 50.14 H new ATOM 0 HG SER A 60 6.779 -11.735 -6.518 1.00 31.33 H new ATOM 954 N GLN A 61 6.194 -7.639 -3.492 1.00 43.51 N ATOM 955 CA GLN A 61 5.526 -6.951 -2.383 1.00 74.23 C ATOM 956 C GLN A 61 5.375 -5.445 -2.667 1.00 43.45 C ATOM 957 O GLN A 61 4.314 -4.871 -2.418 1.00 21.14 O ATOM 958 CB GLN A 61 6.288 -7.181 -1.069 1.00 62.25 C ATOM 959 CG GLN A 61 6.326 -8.643 -0.625 1.00 21.32 C ATOM 960 CD GLN A 61 7.086 -8.856 0.675 1.00 71.14 C ATOM 961 OE1 GLN A 61 8.292 -9.088 0.679 1.00 73.40 O ATOM 962 NE2 GLN A 61 6.389 -8.788 1.790 1.00 35.35 N ATOM 0 H GLN A 61 7.143 -7.950 -3.282 1.00 43.51 H new ATOM 0 HA GLN A 61 4.525 -7.372 -2.283 1.00 74.23 H new ATOM 0 HB2 GLN A 61 7.310 -6.820 -1.185 1.00 62.25 H new ATOM 0 HB3 GLN A 61 5.826 -6.584 -0.283 1.00 62.25 H new ATOM 0 HG2 GLN A 61 5.305 -9.006 -0.505 1.00 21.32 H new ATOM 0 HG3 GLN A 61 6.787 -9.242 -1.410 1.00 21.32 H new ATOM 0 HE21 GLN A 61 5.388 -8.594 1.755 1.00 35.35 H new ATOM 0 HE22 GLN A 61 6.850 -8.930 2.689 1.00 35.35 H new ATOM 971 N LEU A 62 6.428 -4.808 -3.202 1.00 3.43 N ATOM 972 CA LEU A 62 6.342 -3.391 -3.604 1.00 34.23 C ATOM 973 C LEU A 62 5.220 -3.187 -4.634 1.00 72.12 C ATOM 974 O LEU A 62 4.399 -2.275 -4.510 1.00 15.43 O ATOM 975 CB LEU A 62 7.671 -2.875 -4.193 1.00 51.55 C ATOM 976 CG LEU A 62 8.818 -2.631 -3.190 1.00 23.40 C ATOM 977 CD1 LEU A 62 9.450 -3.939 -2.737 1.00 1.11 C ATOM 978 CD2 LEU A 62 9.873 -1.708 -3.799 1.00 2.05 C ATOM 0 H LEU A 62 7.337 -5.241 -3.365 1.00 3.43 H new ATOM 0 HA LEU A 62 6.122 -2.820 -2.702 1.00 34.23 H new ATOM 0 HB2 LEU A 62 8.016 -3.592 -4.938 1.00 51.55 H new ATOM 0 HB3 LEU A 62 7.472 -1.941 -4.718 1.00 51.55 H new ATOM 0 HG LEU A 62 8.394 -2.146 -2.311 1.00 23.40 H new ATOM 0 HD11 LEU A 62 10.254 -3.729 -2.031 1.00 1.11 H new ATOM 0 HD12 LEU A 62 8.695 -4.559 -2.254 1.00 1.11 H new ATOM 0 HD13 LEU A 62 9.854 -4.466 -3.601 1.00 1.11 H new ATOM 0 HD21 LEU A 62 10.675 -1.546 -3.078 1.00 2.05 H new ATOM 0 HD22 LEU A 62 10.282 -2.167 -4.699 1.00 2.05 H new ATOM 0 HD23 LEU A 62 9.416 -0.752 -4.054 1.00 2.05 H new ATOM 990 N ALA A 63 5.194 -4.051 -5.650 1.00 25.21 N ATOM 991 CA ALA A 63 4.151 -4.013 -6.680 1.00 50.22 C ATOM 992 C ALA A 63 2.746 -4.172 -6.071 1.00 35.25 C ATOM 993 O ALA A 63 1.788 -3.526 -6.509 1.00 54.50 O ATOM 994 CB ALA A 63 4.402 -5.095 -7.723 1.00 70.31 C ATOM 0 H ALA A 63 5.886 -4.789 -5.783 1.00 25.21 H new ATOM 0 HA ALA A 63 4.194 -3.036 -7.161 1.00 50.22 H new ATOM 0 HB1 ALA A 63 3.621 -5.057 -8.482 1.00 70.31 H new ATOM 0 HB2 ALA A 63 5.372 -4.930 -8.192 1.00 70.31 H new ATOM 0 HB3 ALA A 63 4.393 -6.073 -7.242 1.00 70.31 H new ATOM 1000 N LEU A 64 2.635 -5.043 -5.065 1.00 14.32 N ATOM 1001 CA LEU A 64 1.370 -5.246 -4.346 1.00 63.24 C ATOM 1002 C LEU A 64 0.922 -3.964 -3.624 1.00 45.03 C ATOM 1003 O LEU A 64 -0.219 -3.528 -3.767 1.00 5.22 O ATOM 1004 CB LEU A 64 1.506 -6.386 -3.326 1.00 62.41 C ATOM 1005 CG LEU A 64 0.236 -6.673 -2.505 1.00 1.44 C ATOM 1006 CD1 LEU A 64 -0.890 -7.184 -3.406 1.00 70.31 C ATOM 1007 CD2 LEU A 64 0.531 -7.663 -1.380 1.00 74.20 C ATOM 0 H LEU A 64 3.405 -5.621 -4.728 1.00 14.32 H new ATOM 0 HA LEU A 64 0.614 -5.509 -5.086 1.00 63.24 H new ATOM 0 HB2 LEU A 64 1.793 -7.295 -3.854 1.00 62.41 H new ATOM 0 HB3 LEU A 64 2.318 -6.146 -2.640 1.00 62.41 H new ATOM 0 HG LEU A 64 -0.095 -5.739 -2.052 1.00 1.44 H new ATOM 0 HD11 LEU A 64 -1.777 -7.380 -2.804 1.00 70.31 H new ATOM 0 HD12 LEU A 64 -1.122 -6.432 -4.160 1.00 70.31 H new ATOM 0 HD13 LEU A 64 -0.574 -8.105 -3.897 1.00 70.31 H new ATOM 0 HD21 LEU A 64 -0.381 -7.851 -0.813 1.00 74.20 H new ATOM 0 HD22 LEU A 64 0.894 -8.599 -1.805 1.00 74.20 H new ATOM 0 HD23 LEU A 64 1.290 -7.246 -0.718 1.00 74.20 H new ATOM 1019 N VAL A 65 1.832 -3.365 -2.853 1.00 72.21 N ATOM 1020 CA VAL A 65 1.541 -2.123 -2.121 1.00 44.44 C ATOM 1021 C VAL A 65 0.982 -1.036 -3.058 1.00 1.52 C ATOM 1022 O VAL A 65 0.049 -0.309 -2.707 1.00 52.11 O ATOM 1023 CB VAL A 65 2.810 -1.595 -1.402 1.00 5.24 C ATOM 1024 CG1 VAL A 65 2.527 -0.288 -0.664 1.00 32.35 C ATOM 1025 CG2 VAL A 65 3.359 -2.647 -0.438 1.00 34.41 C ATOM 0 H VAL A 65 2.779 -3.718 -2.717 1.00 72.21 H new ATOM 0 HA VAL A 65 0.782 -2.357 -1.374 1.00 44.44 H new ATOM 0 HB VAL A 65 3.564 -1.393 -2.163 1.00 5.24 H new ATOM 0 HG11 VAL A 65 3.436 0.056 -0.171 1.00 32.35 H new ATOM 0 HG12 VAL A 65 2.193 0.467 -1.376 1.00 32.35 H new ATOM 0 HG13 VAL A 65 1.749 -0.452 0.082 1.00 32.35 H new ATOM 0 HG21 VAL A 65 4.249 -2.258 0.057 1.00 34.41 H new ATOM 0 HG22 VAL A 65 2.603 -2.885 0.310 1.00 34.41 H new ATOM 0 HG23 VAL A 65 3.617 -3.549 -0.993 1.00 34.41 H new ATOM 1035 N ARG A 66 1.553 -0.949 -4.260 1.00 42.31 N ATOM 1036 CA ARG A 66 1.067 -0.026 -5.293 1.00 71.43 C ATOM 1037 C ARG A 66 -0.380 -0.355 -5.700 1.00 53.14 C ATOM 1038 O ARG A 66 -1.231 0.534 -5.800 1.00 44.43 O ATOM 1039 CB ARG A 66 1.989 -0.086 -6.517 1.00 74.31 C ATOM 1040 CG ARG A 66 3.424 0.339 -6.224 1.00 4.13 C ATOM 1041 CD ARG A 66 4.327 0.157 -7.438 1.00 64.45 C ATOM 1042 NE ARG A 66 3.834 0.892 -8.602 1.00 71.10 N ATOM 1043 CZ ARG A 66 4.598 1.513 -9.460 1.00 24.03 C ATOM 1044 NH1 ARG A 66 5.884 1.525 -9.314 1.00 73.43 N ATOM 1045 NH2 ARG A 66 4.068 2.118 -10.469 1.00 73.25 N ATOM 0 H ARG A 66 2.357 -1.508 -4.546 1.00 42.31 H new ATOM 0 HA ARG A 66 1.076 0.983 -4.882 1.00 71.43 H new ATOM 0 HB2 ARG A 66 1.993 -1.103 -6.908 1.00 74.31 H new ATOM 0 HB3 ARG A 66 1.582 0.555 -7.299 1.00 74.31 H new ATOM 0 HG2 ARG A 66 3.438 1.384 -5.914 1.00 4.13 H new ATOM 0 HG3 ARG A 66 3.813 -0.246 -5.390 1.00 4.13 H new ATOM 0 HD2 ARG A 66 5.334 0.496 -7.195 1.00 64.45 H new ATOM 0 HD3 ARG A 66 4.398 -0.903 -7.682 1.00 64.45 H new ATOM 0 HE ARG A 66 2.826 0.922 -8.754 1.00 71.10 H new ATOM 0 HH11 ARG A 66 6.312 1.046 -8.522 1.00 73.43 H new ATOM 0 HH12 ARG A 66 6.470 2.014 -9.991 1.00 73.43 H new ATOM 0 HH21 ARG A 66 3.056 2.110 -10.594 1.00 73.25 H new ATOM 0 HH22 ARG A 66 4.661 2.604 -11.141 1.00 73.25 H new ATOM 1059 N ASP A 67 -0.647 -1.641 -5.923 1.00 61.20 N ATOM 1060 CA ASP A 67 -1.995 -2.115 -6.256 1.00 54.03 C ATOM 1061 C ASP A 67 -2.998 -1.750 -5.148 1.00 31.14 C ATOM 1062 O ASP A 67 -4.128 -1.334 -5.422 1.00 3.32 O ATOM 1063 CB ASP A 67 -1.968 -3.632 -6.476 1.00 75.34 C ATOM 1064 CG ASP A 67 -3.325 -4.203 -6.849 1.00 73.34 C ATOM 1065 OD1 ASP A 67 -3.693 -4.131 -8.040 1.00 51.42 O ATOM 1066 OD2 ASP A 67 -4.026 -4.727 -5.956 1.00 35.21 O ATOM 0 H ASP A 67 0.055 -2.379 -5.879 1.00 61.20 H new ATOM 0 HA ASP A 67 -2.320 -1.625 -7.174 1.00 54.03 H new ATOM 0 HB2 ASP A 67 -1.253 -3.866 -7.264 1.00 75.34 H new ATOM 0 HB3 ASP A 67 -1.613 -4.119 -5.568 1.00 75.34 H new ATOM 1071 N ILE A 68 -2.561 -1.898 -3.897 1.00 44.13 N ATOM 1072 CA ILE A 68 -3.386 -1.563 -2.735 1.00 34.31 C ATOM 1073 C ILE A 68 -3.694 -0.055 -2.677 1.00 61.14 C ATOM 1074 O ILE A 68 -4.802 0.345 -2.320 1.00 61.13 O ATOM 1075 CB ILE A 68 -2.704 -2.010 -1.414 1.00 41.32 C ATOM 1076 CG1 ILE A 68 -2.476 -3.536 -1.419 1.00 31.11 C ATOM 1077 CG2 ILE A 68 -3.539 -1.590 -0.204 1.00 21.25 C ATOM 1078 CD1 ILE A 68 -1.764 -4.059 -0.185 1.00 53.15 C ATOM 0 H ILE A 68 -1.633 -2.250 -3.661 1.00 44.13 H new ATOM 0 HA ILE A 68 -4.326 -2.104 -2.846 1.00 34.31 H new ATOM 0 HB ILE A 68 -1.735 -1.517 -1.341 1.00 41.32 H new ATOM 0 HG12 ILE A 68 -3.440 -4.037 -1.509 1.00 31.11 H new ATOM 0 HG13 ILE A 68 -1.895 -3.803 -2.302 1.00 31.11 H new ATOM 0 HG21 ILE A 68 -3.042 -1.913 0.711 1.00 21.25 H new ATOM 0 HG22 ILE A 68 -3.646 -0.505 -0.195 1.00 21.25 H new ATOM 0 HG23 ILE A 68 -4.525 -2.051 -0.264 1.00 21.25 H new ATOM 0 HD11 ILE A 68 -1.642 -5.139 -0.266 1.00 53.15 H new ATOM 0 HD12 ILE A 68 -0.784 -3.588 -0.103 1.00 53.15 H new ATOM 0 HD13 ILE A 68 -2.354 -3.826 0.702 1.00 53.15 H new ATOM 1090 N ARG A 69 -2.718 0.784 -3.037 1.00 2.43 N ATOM 1091 CA ARG A 69 -2.936 2.235 -3.067 1.00 65.01 C ATOM 1092 C ARG A 69 -3.907 2.630 -4.188 1.00 3.10 C ATOM 1093 O ARG A 69 -4.760 3.494 -4.001 1.00 73.50 O ATOM 1094 CB ARG A 69 -1.613 3.000 -3.217 1.00 65.31 C ATOM 1095 CG ARG A 69 -1.794 4.517 -3.163 1.00 74.11 C ATOM 1096 CD ARG A 69 -0.465 5.263 -3.185 1.00 51.14 C ATOM 1097 NE ARG A 69 -0.644 6.717 -3.082 1.00 71.31 N ATOM 1098 CZ ARG A 69 -0.533 7.398 -1.972 1.00 73.22 C ATOM 1099 NH1 ARG A 69 -0.317 6.801 -0.849 1.00 24.54 N ATOM 1100 NH2 ARG A 69 -0.664 8.685 -1.980 1.00 43.21 N ATOM 0 H ARG A 69 -1.780 0.489 -3.309 1.00 2.43 H new ATOM 0 HA ARG A 69 -3.382 2.511 -2.112 1.00 65.01 H new ATOM 0 HB2 ARG A 69 -0.929 2.692 -2.426 1.00 65.31 H new ATOM 0 HB3 ARG A 69 -1.147 2.728 -4.164 1.00 65.31 H new ATOM 0 HG2 ARG A 69 -2.401 4.838 -4.009 1.00 74.11 H new ATOM 0 HG3 ARG A 69 -2.342 4.783 -2.259 1.00 74.11 H new ATOM 0 HD2 ARG A 69 0.158 4.916 -2.361 1.00 51.14 H new ATOM 0 HD3 ARG A 69 0.066 5.028 -4.107 1.00 51.14 H new ATOM 0 HE ARG A 69 -0.870 7.230 -3.934 1.00 71.31 H new ATOM 0 HH11 ARG A 69 -0.231 5.785 -0.820 1.00 24.54 H new ATOM 0 HH12 ARG A 69 -0.232 7.345 0.010 1.00 24.54 H new ATOM 0 HH21 ARG A 69 -0.855 9.173 -2.855 1.00 43.21 H new ATOM 0 HH22 ARG A 69 -0.577 9.212 -1.111 1.00 43.21 H new ATOM 1114 N ARG A 70 -3.783 1.994 -5.352 1.00 31.23 N ATOM 1115 CA ARG A 70 -4.729 2.219 -6.454 1.00 30.41 C ATOM 1116 C ARG A 70 -6.165 1.879 -6.012 1.00 31.44 C ATOM 1117 O ARG A 70 -7.125 2.547 -6.396 1.00 71.20 O ATOM 1118 CB ARG A 70 -4.334 1.376 -7.678 1.00 51.32 C ATOM 1119 CG ARG A 70 -5.277 1.514 -8.879 1.00 64.33 C ATOM 1120 CD ARG A 70 -5.129 2.849 -9.615 1.00 74.03 C ATOM 1121 NE ARG A 70 -5.516 4.003 -8.800 1.00 61.31 N ATOM 1122 CZ ARG A 70 -6.513 4.801 -9.074 1.00 4.25 C ATOM 1123 NH1 ARG A 70 -7.277 4.590 -10.096 1.00 53.44 N ATOM 1124 NH2 ARG A 70 -6.746 5.819 -8.316 1.00 41.45 N ATOM 0 H ARG A 70 -3.044 1.323 -5.560 1.00 31.23 H new ATOM 0 HA ARG A 70 -4.693 3.273 -6.729 1.00 30.41 H new ATOM 0 HB2 ARG A 70 -3.328 1.659 -7.988 1.00 51.32 H new ATOM 0 HB3 ARG A 70 -4.294 0.327 -7.383 1.00 51.32 H new ATOM 0 HG2 ARG A 70 -5.086 0.699 -9.577 1.00 64.33 H new ATOM 0 HG3 ARG A 70 -6.307 1.407 -8.538 1.00 64.33 H new ATOM 0 HD2 ARG A 70 -4.093 2.968 -9.933 1.00 74.03 H new ATOM 0 HD3 ARG A 70 -5.740 2.829 -10.518 1.00 74.03 H new ATOM 0 HE ARG A 70 -4.969 4.197 -7.961 1.00 61.31 H new ATOM 0 HH11 ARG A 70 -7.106 3.789 -10.704 1.00 53.44 H new ATOM 0 HH12 ARG A 70 -8.051 5.224 -10.294 1.00 53.44 H new ATOM 0 HH21 ARG A 70 -6.152 5.998 -7.506 1.00 41.45 H new ATOM 0 HH22 ARG A 70 -7.524 6.444 -8.527 1.00 41.45 H new ATOM 1138 N ARG A 71 -6.292 0.838 -5.194 1.00 61.41 N ATOM 1139 CA ARG A 71 -7.575 0.454 -4.593 1.00 75.14 C ATOM 1140 C ARG A 71 -8.055 1.489 -3.557 1.00 33.14 C ATOM 1141 O ARG A 71 -9.106 2.115 -3.722 1.00 13.43 O ATOM 1142 CB ARG A 71 -7.429 -0.925 -3.928 1.00 74.13 C ATOM 1143 CG ARG A 71 -7.561 -2.101 -4.892 1.00 1.24 C ATOM 1144 CD ARG A 71 -9.025 -2.441 -5.147 1.00 34.13 C ATOM 1145 NE ARG A 71 -9.715 -2.765 -3.898 1.00 25.51 N ATOM 1146 CZ ARG A 71 -11.006 -2.855 -3.756 1.00 62.23 C ATOM 1147 NH1 ARG A 71 -11.807 -2.685 -4.761 1.00 5.14 N ATOM 1148 NH2 ARG A 71 -11.492 -3.126 -2.593 1.00 22.41 N ATOM 0 H ARG A 71 -5.514 0.235 -4.927 1.00 61.41 H new ATOM 0 HA ARG A 71 -8.323 0.412 -5.384 1.00 75.14 H new ATOM 0 HB2 ARG A 71 -6.457 -0.979 -3.438 1.00 74.13 H new ATOM 0 HB3 ARG A 71 -8.185 -1.022 -3.148 1.00 74.13 H new ATOM 0 HG2 ARG A 71 -7.071 -1.859 -5.835 1.00 1.24 H new ATOM 0 HG3 ARG A 71 -7.049 -2.971 -4.481 1.00 1.24 H new ATOM 0 HD2 ARG A 71 -9.519 -1.598 -5.631 1.00 34.13 H new ATOM 0 HD3 ARG A 71 -9.091 -3.286 -5.833 1.00 34.13 H new ATOM 0 HE ARG A 71 -9.139 -2.934 -3.073 1.00 25.51 H new ATOM 0 HH11 ARG A 71 -11.429 -2.476 -5.685 1.00 5.14 H new ATOM 0 HH12 ARG A 71 -12.815 -2.760 -4.628 1.00 5.14 H new ATOM 0 HH21 ARG A 71 -10.867 -3.267 -1.799 1.00 22.41 H new ATOM 0 HH22 ARG A 71 -12.501 -3.200 -2.467 1.00 22.41 H new ATOM 1162 N GLY A 72 -7.267 1.667 -2.498 1.00 12.54 N ATOM 1163 CA GLY A 72 -7.650 2.544 -1.394 1.00 23.32 C ATOM 1164 C GLY A 72 -7.804 4.013 -1.785 1.00 2.52 C ATOM 1165 O GLY A 72 -8.775 4.666 -1.396 1.00 73.31 O ATOM 0 H GLY A 72 -6.360 1.216 -2.382 1.00 12.54 H new ATOM 0 HA2 GLY A 72 -8.592 2.191 -0.974 1.00 23.32 H new ATOM 0 HA3 GLY A 72 -6.901 2.466 -0.606 1.00 23.32 H new ATOM 1169 N LYS A 73 -6.854 4.540 -2.554 1.00 74.44 N ATOM 1170 CA LYS A 73 -6.895 5.954 -2.945 1.00 64.10 C ATOM 1171 C LYS A 73 -8.078 6.235 -3.885 1.00 42.42 C ATOM 1172 O LYS A 73 -8.674 7.308 -3.836 1.00 61.34 O ATOM 1173 CB LYS A 73 -5.576 6.396 -3.603 1.00 11.10 C ATOM 1174 CG LYS A 73 -5.207 7.852 -3.305 1.00 70.40 C ATOM 1175 CD LYS A 73 -4.741 8.025 -1.858 1.00 65.43 C ATOM 1176 CE LYS A 73 -4.540 9.492 -1.480 1.00 22.14 C ATOM 1177 NZ LYS A 73 -5.830 10.217 -1.334 1.00 63.31 N ATOM 0 H LYS A 73 -6.055 4.020 -2.917 1.00 74.44 H new ATOM 0 HA LYS A 73 -7.031 6.536 -2.033 1.00 64.10 H new ATOM 0 HB2 LYS A 73 -4.771 5.747 -3.258 1.00 11.10 H new ATOM 0 HB3 LYS A 73 -5.654 6.262 -4.682 1.00 11.10 H new ATOM 0 HG2 LYS A 73 -4.418 8.175 -3.984 1.00 70.40 H new ATOM 0 HG3 LYS A 73 -6.069 8.493 -3.490 1.00 70.40 H new ATOM 0 HD2 LYS A 73 -5.475 7.577 -1.187 1.00 65.43 H new ATOM 0 HD3 LYS A 73 -3.806 7.484 -1.714 1.00 65.43 H new ATOM 0 HE2 LYS A 73 -3.984 9.551 -0.544 1.00 22.14 H new ATOM 0 HE3 LYS A 73 -3.934 9.982 -2.242 1.00 22.14 H new ATOM 0 HZ1 LYS A 73 -5.649 11.183 -0.995 1.00 63.31 H new ATOM 0 HZ2 LYS A 73 -6.312 10.257 -2.255 1.00 63.31 H new ATOM 0 HZ3 LYS A 73 -6.433 9.718 -0.649 1.00 63.31 H new