USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 564 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 42 ASN : amide:sc= 0.161 K(o=0.32,f=-0.53) USER MOD Set 1.2: A 99 SER OG : rot 174:sc= 0.16 USER MOD Set 2.1: A 72 ASN : amide:sc= -0.135 X(o=-1.9,f=-1.9) USER MOD Set 2.2: A 73 ASN : amide:sc= -1.78 X(o=-1.9,f=-1.7) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.85) USER MOD Single : A 51 LYS NZ :NH3+ -126:sc= 1.21 (180deg=-0.674) USER MOD Single : A 54 THR OG1 : rot -166:sc= 0.0724! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0056) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 85 CYS SG : rot -121:sc= -0.171 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -8.93 K(o=-8.9,f=-9.9!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= -0.0672 (180deg=-0.451) USER MOD Single : A 100 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.835 -8.904 5.942 1.00 0.00 N ATOM 368 CA LEU A 29 9.079 -7.673 6.685 1.00 0.00 C ATOM 369 C LEU A 29 9.783 -7.965 8.008 1.00 0.00 C ATOM 370 O LEU A 29 9.509 -7.324 9.022 1.00 0.00 O ATOM 371 CB LEU A 29 7.762 -6.941 6.947 1.00 0.00 C ATOM 372 CG LEU A 29 7.251 -6.091 5.782 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.752 -5.866 5.902 1.00 0.00 C ATOM 374 CD2 LEU A 29 7.989 -4.762 5.731 1.00 0.00 C ATOM 0 HA LEU A 29 9.727 -7.037 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.999 -7.677 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.888 -6.298 7.818 1.00 0.00 H new ATOM 0 HG LEU A 29 7.443 -6.628 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.407 -5.259 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.238 -6.827 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.535 -5.350 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.614 -4.169 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.827 -4.220 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.055 -4.943 5.597 1.00 0.00 H new ATOM 386 N PHE A 30 10.689 -8.936 7.987 1.00 0.00 N ATOM 387 CA PHE A 30 11.432 -9.312 9.184 1.00 0.00 C ATOM 388 C PHE A 30 12.501 -8.274 9.511 1.00 0.00 C ATOM 389 O PHE A 30 12.855 -8.079 10.674 1.00 0.00 O ATOM 390 CB PHE A 30 12.080 -10.686 8.997 1.00 0.00 C ATOM 391 CG PHE A 30 12.778 -11.193 10.226 1.00 0.00 C ATOM 392 CD1 PHE A 30 12.068 -11.838 11.226 1.00 0.00 C ATOM 393 CD2 PHE A 30 14.145 -11.024 10.383 1.00 0.00 C ATOM 394 CE1 PHE A 30 12.707 -12.306 12.358 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.790 -11.489 11.513 1.00 0.00 C ATOM 396 CZ PHE A 30 14.070 -12.131 12.502 1.00 0.00 C ATOM 0 H PHE A 30 10.927 -9.477 7.155 1.00 0.00 H new ATOM 0 HA PHE A 30 10.730 -9.358 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.314 -11.403 8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.797 -10.632 8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.002 -11.977 11.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.713 -10.523 9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.142 -12.808 13.129 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.855 -11.351 11.623 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.572 -12.495 13.386 1.00 0.00 H new ATOM 406 N ASP A 31 13.012 -7.610 8.479 1.00 0.00 N ATOM 407 CA ASP A 31 14.040 -6.592 8.658 1.00 0.00 C ATOM 408 C ASP A 31 13.430 -5.194 8.660 1.00 0.00 C ATOM 409 O ASP A 31 14.053 -4.233 8.207 1.00 0.00 O ATOM 410 CB ASP A 31 15.092 -6.700 7.552 1.00 0.00 C ATOM 411 CG ASP A 31 16.494 -6.415 8.057 1.00 0.00 C ATOM 412 OD1 ASP A 31 17.014 -7.224 8.853 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.069 -5.381 7.656 1.00 0.00 O ATOM 0 H ASP A 31 12.731 -7.759 7.510 1.00 0.00 H new ATOM 0 HA ASP A 31 14.517 -6.761 9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.061 -7.701 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.848 -6.001 6.752 1.00 0.00 H new ATOM 418 N PHE A 32 12.210 -5.088 9.175 1.00 0.00 N ATOM 419 CA PHE A 32 11.515 -3.807 9.237 1.00 0.00 C ATOM 420 C PHE A 32 10.887 -3.595 10.610 1.00 0.00 C ATOM 421 O PHE A 32 9.961 -4.308 10.997 1.00 0.00 O ATOM 422 CB PHE A 32 10.436 -3.735 8.154 1.00 0.00 C ATOM 423 CG PHE A 32 10.954 -3.273 6.822 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.087 -1.922 6.545 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.309 -4.191 5.845 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.564 -1.495 5.321 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.785 -3.770 4.619 1.00 0.00 C ATOM 428 CZ PHE A 32 11.912 -2.420 4.356 1.00 0.00 C ATOM 0 H PHE A 32 11.682 -5.873 9.556 1.00 0.00 H new ATOM 0 HA PHE A 32 12.246 -3.017 9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.983 -4.720 8.037 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.647 -3.058 8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.815 -1.194 7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.212 -5.248 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.665 -0.439 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.058 -4.495 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.283 -2.088 3.397 1.00 0.00 H new ATOM 438 N HIS A 33 11.397 -2.611 11.343 1.00 0.00 N ATOM 439 CA HIS A 33 10.885 -2.305 12.675 1.00 0.00 C ATOM 440 C HIS A 33 9.745 -1.294 12.600 1.00 0.00 C ATOM 441 O HIS A 33 9.695 -0.467 11.689 1.00 0.00 O ATOM 442 CB HIS A 33 12.006 -1.763 13.563 1.00 0.00 C ATOM 443 CG HIS A 33 12.757 -2.830 14.296 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.706 -3.004 15.662 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.590 -3.793 13.827 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.493 -4.043 15.973 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.053 -4.558 14.895 1.00 0.00 N ATOM 0 H HIS A 33 12.164 -2.012 11.038 1.00 0.00 H new ATOM 0 HA HIS A 33 10.501 -3.227 13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.704 -1.196 12.947 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.581 -1.067 14.286 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.852 -3.943 12.790 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.649 -4.411 16.976 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.692 -5.352 14.853 1.00 0.00 H new ATOM 455 N ILE A 34 8.833 -1.366 13.563 1.00 0.00 N ATOM 456 CA ILE A 34 7.695 -0.457 13.607 1.00 0.00 C ATOM 457 C ILE A 34 8.123 0.939 14.045 1.00 0.00 C ATOM 458 O ILE A 34 8.822 1.101 15.045 1.00 0.00 O ATOM 459 CB ILE A 34 6.602 -0.970 14.566 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.289 -2.439 14.277 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.347 -0.119 14.441 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.756 -2.680 12.881 1.00 0.00 C ATOM 0 H ILE A 34 8.860 -2.045 14.324 1.00 0.00 H new ATOM 0 HA ILE A 34 7.289 -0.410 12.596 1.00 0.00 H new ATOM 0 HB ILE A 34 6.969 -0.892 15.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.194 -3.030 14.419 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.558 -2.796 15.003 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.584 -0.493 15.124 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.582 0.915 14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.974 -0.169 13.418 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.556 -3.743 12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.833 -2.117 12.742 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.494 -2.354 12.148 1.00 0.00 H new ATOM 474 N GLY A 35 7.697 1.947 13.290 1.00 0.00 N ATOM 475 CA GLY A 35 8.045 3.317 13.616 1.00 0.00 C ATOM 476 C GLY A 35 9.074 3.896 12.664 1.00 0.00 C ATOM 477 O GLY A 35 9.112 5.106 12.442 1.00 0.00 O ATOM 0 H GLY A 35 7.117 1.839 12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.146 3.933 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.433 3.358 14.634 1.00 0.00 H new ATOM 481 N ASP A 36 9.909 3.030 12.101 1.00 0.00 N ATOM 482 CA ASP A 36 10.943 3.462 11.168 1.00 0.00 C ATOM 483 C ASP A 36 10.325 3.949 9.861 1.00 0.00 C ATOM 484 O ASP A 36 9.185 3.616 9.540 1.00 0.00 O ATOM 485 CB ASP A 36 11.920 2.319 10.890 1.00 0.00 C ATOM 486 CG ASP A 36 12.912 2.120 12.019 1.00 0.00 C ATOM 487 OD1 ASP A 36 12.558 1.445 13.009 1.00 0.00 O ATOM 488 OD2 ASP A 36 14.044 2.637 11.913 1.00 0.00 O ATOM 0 H ASP A 36 9.890 2.025 12.274 1.00 0.00 H new ATOM 0 HA ASP A 36 11.486 4.290 11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.361 1.396 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.461 2.524 9.966 1.00 0.00 H new ATOM 493 N ARG A 37 11.086 4.740 9.111 1.00 0.00 N ATOM 494 CA ARG A 37 10.613 5.272 7.839 1.00 0.00 C ATOM 495 C ARG A 37 10.635 4.199 6.757 1.00 0.00 C ATOM 496 O ARG A 37 11.564 3.395 6.683 1.00 0.00 O ATOM 497 CB ARG A 37 11.474 6.463 7.410 1.00 0.00 C ATOM 498 CG ARG A 37 11.041 7.782 8.031 1.00 0.00 C ATOM 499 CD ARG A 37 12.062 8.287 9.039 1.00 0.00 C ATOM 500 NE ARG A 37 11.803 9.667 9.436 1.00 0.00 N ATOM 501 CZ ARG A 37 12.388 10.264 10.472 1.00 0.00 C ATOM 502 NH1 ARG A 37 13.267 9.604 11.217 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.095 11.523 10.765 1.00 0.00 N ATOM 0 H ARG A 37 12.032 5.026 9.362 1.00 0.00 H new ATOM 0 HA ARG A 37 9.584 5.604 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.511 6.267 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.439 6.553 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.904 8.527 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.076 7.655 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.047 7.647 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.061 8.215 8.610 1.00 0.00 H new ATOM 0 HE ARG A 37 11.134 10.206 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.497 8.635 10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.712 10.066 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.421 12.035 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.544 11.980 11.559 1.00 0.00 H new ATOM 517 N VAL A 38 9.603 4.192 5.918 1.00 0.00 N ATOM 518 CA VAL A 38 9.505 3.217 4.838 1.00 0.00 C ATOM 519 C VAL A 38 8.966 3.858 3.566 1.00 0.00 C ATOM 520 O VAL A 38 7.971 4.583 3.596 1.00 0.00 O ATOM 521 CB VAL A 38 8.597 2.036 5.229 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.274 1.166 6.277 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.251 2.538 5.730 1.00 0.00 C ATOM 0 H VAL A 38 8.825 4.849 5.966 1.00 0.00 H new ATOM 0 HA VAL A 38 10.513 2.846 4.655 1.00 0.00 H new ATOM 0 HB VAL A 38 8.423 1.427 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.618 0.337 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.209 0.775 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.481 1.762 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.624 1.689 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.401 3.172 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.762 3.114 4.944 1.00 0.00 H new ATOM 533 N LEU A 39 9.629 3.588 2.446 1.00 0.00 N ATOM 534 CA LEU A 39 9.218 4.137 1.160 1.00 0.00 C ATOM 535 C LEU A 39 8.414 3.113 0.365 1.00 0.00 C ATOM 536 O LEU A 39 8.933 2.065 -0.019 1.00 0.00 O ATOM 537 CB LEU A 39 10.442 4.580 0.356 1.00 0.00 C ATOM 538 CG LEU A 39 10.176 5.671 -0.683 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.495 6.867 -0.038 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.474 6.093 -1.355 1.00 0.00 C ATOM 0 H LEU A 39 10.455 2.991 2.404 1.00 0.00 H new ATOM 0 HA LEU A 39 8.584 5.004 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.203 4.938 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.858 3.710 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 39 9.509 5.267 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.314 7.633 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.546 6.554 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.136 7.273 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.267 6.870 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.164 6.479 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.923 5.233 -1.852 1.00 0.00 H new ATOM 552 N ILE A 40 7.145 3.423 0.122 1.00 0.00 N ATOM 553 CA ILE A 40 6.270 2.528 -0.626 1.00 0.00 C ATOM 554 C ILE A 40 6.537 2.625 -2.124 1.00 0.00 C ATOM 555 O ILE A 40 6.282 3.656 -2.746 1.00 0.00 O ATOM 556 CB ILE A 40 4.786 2.841 -0.357 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.528 2.941 1.147 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.897 1.776 -0.983 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.105 3.321 1.493 1.00 0.00 C ATOM 0 H ILE A 40 6.700 4.287 0.432 1.00 0.00 H new ATOM 0 HA ILE A 40 6.487 1.515 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 40 4.545 3.801 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.763 1.984 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.207 3.679 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.852 2.012 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.064 1.749 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.138 0.803 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.995 3.373 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.872 4.293 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.421 2.571 1.095 1.00 0.00 H new ATOM 571 N GLY A 41 7.051 1.541 -2.698 1.00 0.00 N ATOM 572 CA GLY A 41 7.344 1.523 -4.119 1.00 0.00 C ATOM 573 C GLY A 41 8.379 2.559 -4.514 1.00 0.00 C ATOM 574 O GLY A 41 8.465 2.946 -5.681 1.00 0.00 O ATOM 0 H GLY A 41 7.269 0.676 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.701 0.532 -4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.425 1.701 -4.678 1.00 0.00 H new ATOM 578 N ASN A 42 9.168 3.011 -3.543 1.00 0.00 N ATOM 579 CA ASN A 42 10.202 4.007 -3.799 1.00 0.00 C ATOM 580 C ASN A 42 9.607 5.265 -4.427 1.00 0.00 C ATOM 581 O ASN A 42 10.071 5.733 -5.467 1.00 0.00 O ATOM 582 CB ASN A 42 11.284 3.426 -4.713 1.00 0.00 C ATOM 583 CG ASN A 42 12.082 2.330 -4.036 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.766 1.147 -4.162 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.127 2.719 -3.312 1.00 0.00 N ATOM 0 H ASN A 42 9.110 2.703 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 42 10.651 4.280 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.819 3.029 -5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.959 4.223 -5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.703 2.026 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.353 3.711 -3.235 1.00 0.00 H new ATOM 592 N VAL A 43 8.575 5.808 -3.789 1.00 0.00 N ATOM 593 CA VAL A 43 7.917 7.010 -4.285 1.00 0.00 C ATOM 594 C VAL A 43 7.009 7.622 -3.221 1.00 0.00 C ATOM 595 O VAL A 43 6.973 8.841 -3.050 1.00 0.00 O ATOM 596 CB VAL A 43 7.086 6.713 -5.550 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.986 5.706 -5.245 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.501 7.996 -6.122 1.00 0.00 C ATOM 0 H VAL A 43 8.177 5.434 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 43 8.704 7.721 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 43 7.747 6.278 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.411 5.510 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.432 4.777 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.326 6.109 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.919 7.764 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.856 8.465 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.309 8.679 -6.384 1.00 0.00 H new ATOM 608 N GLN A 44 6.277 6.769 -2.512 1.00 0.00 N ATOM 609 CA GLN A 44 5.368 7.227 -1.467 1.00 0.00 C ATOM 610 C GLN A 44 6.018 7.115 -0.087 1.00 0.00 C ATOM 611 O GLN A 44 6.071 6.031 0.494 1.00 0.00 O ATOM 612 CB GLN A 44 4.074 6.413 -1.500 1.00 0.00 C ATOM 613 CG GLN A 44 2.978 7.050 -2.338 1.00 0.00 C ATOM 614 CD GLN A 44 1.590 6.762 -1.800 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.386 5.805 -1.054 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.626 7.594 -2.178 1.00 0.00 N ATOM 0 H GLN A 44 6.295 5.757 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 44 5.138 8.276 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.289 5.419 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.711 6.281 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.133 8.128 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.050 6.684 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.840 8.375 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.329 7.452 -1.848 1.00 0.00 H new ATOM 625 N PRO A 45 6.521 8.237 0.461 1.00 0.00 N ATOM 626 CA PRO A 45 7.164 8.251 1.778 1.00 0.00 C ATOM 627 C PRO A 45 6.165 8.044 2.911 1.00 0.00 C ATOM 628 O PRO A 45 5.028 8.511 2.843 1.00 0.00 O ATOM 629 CB PRO A 45 7.780 9.649 1.859 1.00 0.00 C ATOM 630 CG PRO A 45 6.937 10.484 0.960 1.00 0.00 C ATOM 631 CD PRO A 45 6.501 9.577 -0.158 1.00 0.00 C ATOM 0 HA PRO A 45 7.889 7.445 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.767 10.029 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.820 9.643 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.076 10.886 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.500 11.335 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.507 9.837 -0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.178 9.636 -1.010 1.00 0.00 H new ATOM 639 N GLY A 46 6.597 7.340 3.953 1.00 0.00 N ATOM 640 CA GLY A 46 5.727 7.084 5.086 1.00 0.00 C ATOM 641 C GLY A 46 6.445 6.382 6.222 1.00 0.00 C ATOM 642 O GLY A 46 7.667 6.239 6.199 1.00 0.00 O ATOM 0 H GLY A 46 7.533 6.943 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.318 8.028 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.883 6.475 4.762 1.00 0.00 H new ATOM 646 N ILE A 47 5.683 5.940 7.217 1.00 0.00 N ATOM 647 CA ILE A 47 6.253 5.249 8.367 1.00 0.00 C ATOM 648 C ILE A 47 5.586 3.895 8.579 1.00 0.00 C ATOM 649 O ILE A 47 4.376 3.752 8.403 1.00 0.00 O ATOM 650 CB ILE A 47 6.112 6.086 9.652 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.588 7.519 9.409 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.897 5.446 10.789 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.460 8.493 9.142 1.00 0.00 C ATOM 0 H ILE A 47 4.669 6.048 7.250 1.00 0.00 H new ATOM 0 HA ILE A 47 7.312 5.100 8.155 1.00 0.00 H new ATOM 0 HB ILE A 47 5.060 6.117 9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.152 7.858 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.273 7.527 8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.788 6.049 11.691 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.515 4.442 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.951 5.388 10.516 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.871 9.489 8.979 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.909 8.178 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.787 8.514 9.999 1.00 0.00 H new ATOM 665 N LEU A 48 6.384 2.902 8.958 1.00 0.00 N ATOM 666 CA LEU A 48 5.872 1.557 9.194 1.00 0.00 C ATOM 667 C LEU A 48 5.071 1.499 10.491 1.00 0.00 C ATOM 668 O LEU A 48 5.626 1.629 11.581 1.00 0.00 O ATOM 669 CB LEU A 48 7.025 0.552 9.246 1.00 0.00 C ATOM 670 CG LEU A 48 6.612 -0.892 9.532 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.767 -1.442 8.394 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.839 -1.761 9.755 1.00 0.00 C ATOM 0 H LEU A 48 7.388 3.003 9.108 1.00 0.00 H new ATOM 0 HA LEU A 48 5.210 1.297 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.555 0.581 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.731 0.871 10.013 1.00 0.00 H new ATOM 0 HG LEU A 48 6.011 -0.905 10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.483 -2.471 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.869 -0.834 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.342 -1.416 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.527 -2.786 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.465 -1.742 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.405 -1.380 10.605 1.00 0.00 H new ATOM 684 N ARG A 49 3.762 1.303 10.364 1.00 0.00 N ATOM 685 CA ARG A 49 2.886 1.227 11.526 1.00 0.00 C ATOM 686 C ARG A 49 2.412 -0.205 11.760 1.00 0.00 C ATOM 687 O ARG A 49 2.146 -0.603 12.895 1.00 0.00 O ATOM 688 CB ARG A 49 1.680 2.152 11.345 1.00 0.00 C ATOM 689 CG ARG A 49 2.042 3.628 11.323 1.00 0.00 C ATOM 690 CD ARG A 49 2.558 4.096 12.674 1.00 0.00 C ATOM 691 NE ARG A 49 1.521 4.767 13.455 1.00 0.00 N ATOM 692 CZ ARG A 49 1.762 5.472 14.557 1.00 0.00 C ATOM 693 NH1 ARG A 49 3.003 5.600 15.013 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.762 6.049 15.208 1.00 0.00 N ATOM 0 H ARG A 49 3.286 1.194 9.469 1.00 0.00 H new ATOM 0 HA ARG A 49 3.455 1.549 12.398 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.174 1.897 10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.971 1.973 12.153 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.801 3.806 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.166 4.214 11.044 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.936 3.240 13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.397 4.776 12.526 1.00 0.00 H new ATOM 0 HE ARG A 49 0.555 4.690 13.136 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.777 5.157 14.518 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.182 6.142 15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.193 5.953 14.864 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.948 6.589 16.053 1.00 0.00 H new ATOM 708 N PHE A 50 2.310 -0.975 10.682 1.00 0.00 N ATOM 709 CA PHE A 50 1.868 -2.363 10.772 1.00 0.00 C ATOM 710 C PHE A 50 2.625 -3.240 9.780 1.00 0.00 C ATOM 711 O PHE A 50 3.250 -2.739 8.846 1.00 0.00 O ATOM 712 CB PHE A 50 0.364 -2.458 10.513 1.00 0.00 C ATOM 713 CG PHE A 50 -0.199 -3.833 10.737 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.119 -4.434 11.983 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.809 -4.524 9.701 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.635 -5.700 12.192 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.326 -5.789 9.904 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.240 -6.378 11.151 1.00 0.00 C ATOM 0 H PHE A 50 2.527 -0.662 9.736 1.00 0.00 H new ATOM 0 HA PHE A 50 2.079 -2.722 11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.153 -1.752 11.163 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.161 -2.154 9.486 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.352 -3.908 12.800 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.881 -4.068 8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.565 -6.158 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.797 -6.317 9.088 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.645 -7.366 11.312 1.00 0.00 H new ATOM 728 N LYS A 51 2.564 -4.552 9.989 1.00 0.00 N ATOM 729 CA LYS A 51 3.242 -5.499 9.111 1.00 0.00 C ATOM 730 C LYS A 51 2.874 -6.934 9.471 1.00 0.00 C ATOM 731 O LYS A 51 3.413 -7.505 10.419 1.00 0.00 O ATOM 732 CB LYS A 51 4.758 -5.313 9.198 1.00 0.00 C ATOM 733 CG LYS A 51 5.295 -5.343 10.621 1.00 0.00 C ATOM 734 CD LYS A 51 6.570 -6.166 10.719 1.00 0.00 C ATOM 735 CE LYS A 51 7.503 -5.623 11.790 1.00 0.00 C ATOM 736 NZ LYS A 51 8.723 -6.463 11.942 1.00 0.00 N ATOM 0 H LYS A 51 2.052 -4.983 10.759 1.00 0.00 H new ATOM 0 HA LYS A 51 2.917 -5.304 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.246 -6.097 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.026 -4.362 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.491 -4.325 10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.540 -5.760 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.319 -7.202 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.080 -6.165 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.794 -4.604 11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.974 -5.575 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.828 -6.746 12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.636 -7.312 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.558 -5.918 11.647 1.00 0.00 H new ATOM 750 N GLY A 52 1.952 -7.513 8.708 1.00 0.00 N ATOM 751 CA GLY A 52 1.530 -8.877 8.963 1.00 0.00 C ATOM 752 C GLY A 52 0.322 -9.275 8.139 1.00 0.00 C ATOM 753 O GLY A 52 -0.111 -8.529 7.260 1.00 0.00 O ATOM 0 H GLY A 52 1.490 -7.062 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.354 -9.556 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.297 -8.990 10.022 1.00 0.00 H new ATOM 757 N GLU A 53 -0.224 -10.453 8.421 1.00 0.00 N ATOM 758 CA GLU A 53 -1.389 -10.950 7.699 1.00 0.00 C ATOM 759 C GLU A 53 -2.660 -10.251 8.170 1.00 0.00 C ATOM 760 O GLU A 53 -2.877 -10.077 9.369 1.00 0.00 O ATOM 761 CB GLU A 53 -1.526 -12.462 7.887 1.00 0.00 C ATOM 762 CG GLU A 53 -0.462 -13.265 7.154 1.00 0.00 C ATOM 763 CD GLU A 53 0.546 -13.894 8.095 1.00 0.00 C ATOM 764 OE1 GLU A 53 1.317 -13.142 8.729 1.00 0.00 O ATOM 765 OE2 GLU A 53 0.566 -15.139 8.199 1.00 0.00 O ATOM 0 H GLU A 53 0.122 -11.082 9.145 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.247 -10.734 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.476 -12.694 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.510 -12.775 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.943 -14.048 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.059 -12.614 6.452 1.00 0.00 H new ATOM 772 N THR A 54 -3.495 -9.850 7.218 1.00 0.00 N ATOM 773 CA THR A 54 -4.746 -9.169 7.535 1.00 0.00 C ATOM 774 C THR A 54 -5.936 -10.107 7.359 1.00 0.00 C ATOM 775 O THR A 54 -5.771 -11.276 7.010 1.00 0.00 O ATOM 776 CB THR A 54 -4.919 -7.935 6.647 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.660 -8.252 5.292 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.009 -6.788 7.033 1.00 0.00 C ATOM 0 H THR A 54 -3.329 -9.984 6.221 1.00 0.00 H new ATOM 0 HA THR A 54 -4.705 -8.855 8.578 1.00 0.00 H new ATOM 0 HB THR A 54 -5.953 -7.620 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.550 -7.425 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.182 -5.945 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.219 -6.486 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.969 -7.106 6.954 1.00 0.00 H new ATOM 786 N SER A 55 -7.134 -9.586 7.601 1.00 0.00 N ATOM 787 CA SER A 55 -8.351 -10.378 7.467 1.00 0.00 C ATOM 788 C SER A 55 -8.968 -10.195 6.084 1.00 0.00 C ATOM 789 O SER A 55 -9.493 -11.142 5.497 1.00 0.00 O ATOM 790 CB SER A 55 -9.363 -9.983 8.547 1.00 0.00 C ATOM 791 OG SER A 55 -9.383 -10.934 9.598 1.00 0.00 O ATOM 0 H SER A 55 -7.288 -8.620 7.891 1.00 0.00 H new ATOM 0 HA SER A 55 -8.088 -11.428 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.110 -9.001 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.357 -9.902 8.107 1.00 0.00 H new ATOM 0 HG SER A 55 -10.035 -10.659 10.276 1.00 0.00 H new ATOM 797 N PHE A 56 -8.900 -8.972 5.569 1.00 0.00 N ATOM 798 CA PHE A 56 -9.451 -8.664 4.254 1.00 0.00 C ATOM 799 C PHE A 56 -8.709 -9.427 3.162 1.00 0.00 C ATOM 800 O PHE A 56 -9.289 -9.783 2.136 1.00 0.00 O ATOM 801 CB PHE A 56 -9.372 -7.160 3.986 1.00 0.00 C ATOM 802 CG PHE A 56 -7.992 -6.592 4.155 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.004 -6.848 3.217 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.682 -5.803 5.250 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.733 -6.328 3.369 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.413 -5.279 5.407 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.437 -5.542 4.466 1.00 0.00 C ATOM 0 H PHE A 56 -8.469 -8.178 6.042 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.496 -8.974 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.716 -6.962 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.054 -6.643 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.230 -7.461 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.441 -5.595 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.972 -6.536 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.185 -4.664 6.265 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.444 -5.134 4.587 1.00 0.00 H new ATOM 817 N ALA A 57 -7.423 -9.673 3.387 1.00 0.00 N ATOM 818 CA ALA A 57 -6.601 -10.393 2.422 1.00 0.00 C ATOM 819 C ALA A 57 -5.442 -11.107 3.108 1.00 0.00 C ATOM 820 O ALA A 57 -4.975 -10.679 4.165 1.00 0.00 O ATOM 821 CB ALA A 57 -6.081 -9.440 1.357 1.00 0.00 C ATOM 0 H ALA A 57 -6.927 -9.384 4.230 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.225 -11.149 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.469 -9.991 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.922 -8.982 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.479 -8.663 1.827 1.00 0.00 H new ATOM 827 N LYS A 58 -4.981 -12.195 2.502 1.00 0.00 N ATOM 828 CA LYS A 58 -3.876 -12.970 3.054 1.00 0.00 C ATOM 829 C LYS A 58 -2.535 -12.336 2.696 1.00 0.00 C ATOM 830 O LYS A 58 -2.479 -11.359 1.949 1.00 0.00 O ATOM 831 CB LYS A 58 -3.926 -14.408 2.538 1.00 0.00 C ATOM 832 CG LYS A 58 -3.851 -14.514 1.023 1.00 0.00 C ATOM 833 CD LYS A 58 -2.479 -14.979 0.561 1.00 0.00 C ATOM 834 CE LYS A 58 -2.042 -14.255 -0.703 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.578 -13.989 -0.713 1.00 0.00 N ATOM 0 H LYS A 58 -5.356 -12.561 1.627 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.977 -12.977 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.101 -14.971 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.848 -14.877 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.610 -15.211 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.076 -13.545 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.749 -14.805 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.500 -16.053 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.308 -14.853 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.583 -13.312 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.321 -13.494 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.327 -13.397 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.061 -14.890 -0.659 1.00 0.00 H new ATOM 849 N GLY A 59 -1.458 -12.901 3.232 1.00 0.00 N ATOM 850 CA GLY A 59 -0.132 -12.379 2.956 1.00 0.00 C ATOM 851 C GLY A 59 0.227 -11.205 3.846 1.00 0.00 C ATOM 852 O GLY A 59 -0.639 -10.626 4.501 1.00 0.00 O ATOM 0 H GLY A 59 -1.480 -13.711 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.603 -13.172 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.077 -12.070 1.912 1.00 0.00 H new ATOM 856 N PHE A 60 1.509 -10.855 3.870 1.00 0.00 N ATOM 857 CA PHE A 60 1.984 -9.743 4.685 1.00 0.00 C ATOM 858 C PHE A 60 1.432 -8.417 4.170 1.00 0.00 C ATOM 859 O PHE A 60 1.357 -8.192 2.962 1.00 0.00 O ATOM 860 CB PHE A 60 3.514 -9.705 4.691 1.00 0.00 C ATOM 861 CG PHE A 60 4.125 -10.360 5.898 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.146 -11.739 6.019 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.680 -9.593 6.910 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.709 -12.344 7.127 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.244 -10.191 8.021 1.00 0.00 C ATOM 866 CZ PHE A 60 5.258 -11.568 8.130 1.00 0.00 C ATOM 0 H PHE A 60 2.238 -11.326 3.334 1.00 0.00 H new ATOM 0 HA PHE A 60 1.628 -9.893 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.885 -10.198 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.844 -8.667 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.717 -12.350 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.672 -8.516 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.720 -13.421 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.673 -9.582 8.803 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.697 -12.037 8.998 1.00 0.00 H new ATOM 876 N TRP A 61 1.048 -7.544 5.095 1.00 0.00 N ATOM 877 CA TRP A 61 0.504 -6.240 4.735 1.00 0.00 C ATOM 878 C TRP A 61 1.079 -5.147 5.629 1.00 0.00 C ATOM 879 O TRP A 61 0.669 -4.992 6.780 1.00 0.00 O ATOM 880 CB TRP A 61 -1.022 -6.254 4.840 1.00 0.00 C ATOM 881 CG TRP A 61 -1.681 -7.097 3.793 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.260 -8.321 3.971 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.828 -6.780 2.405 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.757 -8.785 2.776 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.505 -7.857 1.800 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.454 -5.691 1.613 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.814 -7.874 0.442 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.762 -5.709 0.265 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.436 -6.794 -0.308 1.00 0.00 C ATOM 0 H TRP A 61 1.103 -7.716 6.099 1.00 0.00 H new ATOM 0 HA TRP A 61 0.787 -6.027 3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.308 -6.622 5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.394 -5.232 4.761 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.319 -8.847 4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.235 -9.675 2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.933 -4.850 2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.333 -8.710 -0.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.478 -4.872 -0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.662 -6.778 -1.364 1.00 0.00 H new ATOM 900 N ALA A 62 2.033 -4.393 5.093 1.00 0.00 N ATOM 901 CA ALA A 62 2.666 -3.315 5.843 1.00 0.00 C ATOM 902 C ALA A 62 1.818 -2.050 5.814 1.00 0.00 C ATOM 903 O ALA A 62 1.564 -1.484 4.752 1.00 0.00 O ATOM 904 CB ALA A 62 4.055 -3.034 5.288 1.00 0.00 C ATOM 0 H ALA A 62 2.384 -4.509 4.142 1.00 0.00 H new ATOM 0 HA ALA A 62 2.756 -3.634 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.518 -2.227 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.668 -3.932 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.976 -2.741 4.241 1.00 0.00 H new ATOM 910 N GLY A 63 1.381 -1.609 6.990 1.00 0.00 N ATOM 911 CA GLY A 63 0.567 -0.411 7.079 1.00 0.00 C ATOM 912 C GLY A 63 1.402 0.847 7.198 1.00 0.00 C ATOM 913 O GLY A 63 1.664 1.326 8.301 1.00 0.00 O ATOM 0 H GLY A 63 1.577 -2.061 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.068 -0.340 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.094 -0.488 7.942 1.00 0.00 H new ATOM 917 N VAL A 64 1.824 1.383 6.058 1.00 0.00 N ATOM 918 CA VAL A 64 2.636 2.593 6.035 1.00 0.00 C ATOM 919 C VAL A 64 1.787 3.833 6.291 1.00 0.00 C ATOM 920 O VAL A 64 0.656 3.933 5.815 1.00 0.00 O ATOM 921 CB VAL A 64 3.365 2.753 4.687 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.342 3.918 4.741 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.080 1.464 4.311 1.00 0.00 C ATOM 0 H VAL A 64 1.617 0.998 5.137 1.00 0.00 H new ATOM 0 HA VAL A 64 3.374 2.493 6.831 1.00 0.00 H new ATOM 0 HB VAL A 64 2.624 2.968 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.847 4.014 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.800 4.838 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.081 3.738 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.589 1.596 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.811 1.215 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.353 0.656 4.226 1.00 0.00 H new ATOM 933 N GLU A 65 2.340 4.776 7.047 1.00 0.00 N ATOM 934 CA GLU A 65 1.634 6.011 7.367 1.00 0.00 C ATOM 935 C GLU A 65 2.205 7.184 6.576 1.00 0.00 C ATOM 936 O GLU A 65 3.245 7.738 6.933 1.00 0.00 O ATOM 937 CB GLU A 65 1.722 6.301 8.866 1.00 0.00 C ATOM 938 CG GLU A 65 0.700 7.315 9.350 1.00 0.00 C ATOM 939 CD GLU A 65 1.239 8.732 9.346 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.451 8.907 9.591 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.448 9.667 9.099 1.00 0.00 O ATOM 0 H GLU A 65 3.275 4.708 7.449 1.00 0.00 H new ATOM 0 HA GLU A 65 0.587 5.884 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.586 5.370 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.722 6.666 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.185 7.265 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.384 7.053 10.360 1.00 0.00 H new ATOM 948 N LEU A 66 1.519 7.557 5.501 1.00 0.00 N ATOM 949 CA LEU A 66 1.958 8.665 4.660 1.00 0.00 C ATOM 950 C LEU A 66 1.907 9.983 5.426 1.00 0.00 C ATOM 951 O LEU A 66 0.966 10.240 6.175 1.00 0.00 O ATOM 952 CB LEU A 66 1.088 8.758 3.404 1.00 0.00 C ATOM 953 CG LEU A 66 0.888 7.440 2.653 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.076 7.628 1.492 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.222 6.899 2.160 1.00 0.00 C ATOM 0 H LEU A 66 0.657 7.108 5.191 1.00 0.00 H new ATOM 0 HA LEU A 66 2.990 8.476 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.111 9.149 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.536 9.482 2.723 1.00 0.00 H new ATOM 0 HG LEU A 66 0.457 6.713 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.206 6.680 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.040 7.969 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.326 8.370 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.060 5.961 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.682 7.623 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.881 6.725 3.011 1.00 0.00 H new ATOM 967 N ASP A 67 2.927 10.813 5.232 1.00 0.00 N ATOM 968 CA ASP A 67 2.998 12.105 5.905 1.00 0.00 C ATOM 969 C ASP A 67 1.838 13.002 5.483 1.00 0.00 C ATOM 970 O ASP A 67 1.351 13.814 6.270 1.00 0.00 O ATOM 971 CB ASP A 67 4.329 12.792 5.595 1.00 0.00 C ATOM 972 CG ASP A 67 4.880 13.548 6.788 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.574 12.923 7.617 1.00 0.00 O ATOM 974 OD2 ASP A 67 4.620 14.765 6.891 1.00 0.00 O ATOM 0 H ASP A 67 3.715 10.614 4.615 1.00 0.00 H new ATOM 0 HA ASP A 67 2.928 11.932 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.055 12.044 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.194 13.482 4.762 1.00 0.00 H new ATOM 979 N LYS A 68 1.402 12.850 4.238 1.00 0.00 N ATOM 980 CA LYS A 68 0.300 13.646 3.710 1.00 0.00 C ATOM 981 C LYS A 68 -0.910 12.766 3.406 1.00 0.00 C ATOM 982 O LYS A 68 -0.782 11.552 3.252 1.00 0.00 O ATOM 983 CB LYS A 68 0.737 14.387 2.445 1.00 0.00 C ATOM 984 CG LYS A 68 1.522 15.659 2.725 1.00 0.00 C ATOM 985 CD LYS A 68 0.707 16.905 2.407 1.00 0.00 C ATOM 986 CE LYS A 68 1.331 17.709 1.277 1.00 0.00 C ATOM 987 NZ LYS A 68 2.515 18.484 1.736 1.00 0.00 N ATOM 0 H LYS A 68 1.795 12.182 3.575 1.00 0.00 H new ATOM 0 HA LYS A 68 0.016 14.375 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.347 13.720 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.146 14.637 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.822 15.678 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.436 15.661 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.307 16.616 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.631 17.528 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.627 17.036 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.588 18.391 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.911 19.018 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.228 19.145 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.235 17.831 2.107 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.108 13.370 3.314 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.342 12.635 3.026 1.00 0.00 C ATOM 1003 C PRO A 69 -3.397 12.137 1.585 1.00 0.00 C ATOM 1004 O PRO A 69 -4.125 12.682 0.756 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.440 13.671 3.278 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.779 14.985 3.046 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.350 14.816 3.483 1.00 0.00 C ATOM 0 HA PRO A 69 -3.435 11.739 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.283 13.527 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.829 13.597 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.834 15.269 1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.270 15.774 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.670 15.411 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.207 15.129 4.517 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.618 11.099 1.295 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.577 10.526 -0.045 1.00 0.00 C ATOM 1017 C GLU A 70 -3.199 9.134 -0.064 1.00 0.00 C ATOM 1018 O GLU A 70 -3.773 8.713 -1.069 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.133 10.458 -0.548 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.386 11.777 -0.431 1.00 0.00 C ATOM 1021 CD GLU A 70 0.842 11.832 -1.319 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.706 12.217 -2.499 1.00 0.00 O ATOM 1023 OE2 GLU A 70 1.941 11.488 -0.833 1.00 0.00 O ATOM 0 H GLU A 70 -2.007 10.638 1.970 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.157 11.171 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.596 9.695 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.135 10.142 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.057 12.595 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.087 11.930 0.606 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.084 8.423 1.053 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.640 7.087 1.143 1.00 0.00 C ATOM 1032 C GLY A 71 -5.156 7.085 1.084 1.00 0.00 C ATOM 1033 O GLY A 71 -5.760 7.959 0.465 1.00 0.00 O ATOM 0 H GLY A 71 -2.615 8.749 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.247 6.477 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.315 6.623 2.074 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.770 6.100 1.731 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.223 5.988 1.749 1.00 0.00 C ATOM 1039 C ASN A 72 -7.692 5.177 2.952 1.00 0.00 C ATOM 1040 O ASN A 72 -8.663 4.425 2.866 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.722 5.341 0.456 1.00 0.00 C ATOM 1042 CG ASN A 72 -7.124 3.966 0.229 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.714 2.951 0.600 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.946 3.927 -0.382 1.00 0.00 N ATOM 0 H ASN A 72 -5.284 5.368 2.249 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.638 6.993 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.809 5.261 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.476 5.985 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.494 3.030 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.493 4.794 -0.672 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.998 5.335 4.074 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.344 4.618 5.295 1.00 0.00 C ATOM 1053 C ASN A 73 -6.778 5.324 6.522 1.00 0.00 C ATOM 1054 O ASN A 73 -5.860 6.138 6.414 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.821 3.181 5.234 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.618 2.317 4.276 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.777 1.992 4.532 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.996 1.937 3.165 1.00 0.00 N ATOM 0 H ASN A 73 -6.192 5.954 4.163 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.431 4.600 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.775 3.190 4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.856 2.742 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.480 1.352 2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.034 2.230 2.993 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.330 5.007 7.688 1.00 0.00 N ATOM 1066 CA ASN A 74 -6.881 5.611 8.937 1.00 0.00 C ATOM 1067 C ASN A 74 -6.459 4.539 9.937 1.00 0.00 C ATOM 1068 O ASN A 74 -6.670 4.683 11.142 1.00 0.00 O ATOM 1069 CB ASN A 74 -7.990 6.477 9.537 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.328 5.764 9.568 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.696 5.152 10.571 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.064 5.838 8.465 1.00 0.00 N ATOM 0 H ASN A 74 -8.090 4.335 7.794 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.018 6.240 8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.712 6.767 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.084 7.395 8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.973 5.377 8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.720 6.356 7.656 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.860 3.466 9.430 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.417 2.388 10.293 1.00 0.00 C ATOM 1081 C GLY A 75 -6.426 1.260 10.380 1.00 0.00 C ATOM 1082 O GLY A 75 -6.059 0.105 10.595 1.00 0.00 O ATOM 0 H GLY A 75 -5.674 3.324 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.470 1.996 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.230 2.781 11.292 1.00 0.00 H new ATOM 1086 N THR A 76 -7.702 1.595 10.213 1.00 0.00 N ATOM 1087 CA THR A 76 -8.767 0.601 10.275 1.00 0.00 C ATOM 1088 C THR A 76 -9.219 0.198 8.875 1.00 0.00 C ATOM 1089 O THR A 76 -9.804 1.001 8.147 1.00 0.00 O ATOM 1090 CB THR A 76 -9.955 1.146 11.070 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.532 1.645 12.326 1.00 0.00 O ATOM 1092 CG2 THR A 76 -11.029 0.112 11.325 1.00 0.00 C ATOM 0 H THR A 76 -8.023 2.547 10.034 1.00 0.00 H new ATOM 0 HA THR A 76 -8.376 -0.283 10.778 1.00 0.00 H new ATOM 0 HB THR A 76 -10.376 1.939 10.452 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.306 1.990 12.818 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.842 0.564 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.412 -0.257 10.374 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.608 -0.718 11.892 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.945 -1.048 8.506 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.326 -1.558 7.194 1.00 0.00 C ATOM 1102 C TYR A 77 -10.613 -2.371 7.279 1.00 0.00 C ATOM 1103 O TYR A 77 -10.630 -3.467 7.838 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.203 -2.418 6.612 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.194 -2.461 5.100 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.322 -2.853 4.391 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.057 -2.110 4.383 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.318 -2.895 3.009 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.045 -2.149 3.002 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.177 -2.541 2.320 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.169 -2.581 0.944 1.00 0.00 O ATOM 0 H TYR A 77 -8.460 -1.724 9.097 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.499 -0.706 6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.245 -2.034 6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.299 -3.434 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.217 -3.130 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.168 -1.802 4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.203 -3.203 2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.153 -1.874 2.459 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.290 -2.301 0.614 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.689 -1.827 6.719 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.981 -2.504 6.731 1.00 0.00 C ATOM 1123 C ASP A 78 -13.450 -2.756 8.160 1.00 0.00 C ATOM 1124 O ASP A 78 -14.140 -3.738 8.434 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.893 -3.827 5.970 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.244 -3.674 4.502 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -12.449 -3.054 3.764 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.311 -4.175 4.091 1.00 0.00 O ATOM 0 H ASP A 78 -11.692 -0.920 6.252 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.707 -1.857 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.883 -4.228 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.566 -4.552 6.428 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.070 -1.863 9.068 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.461 -2.007 10.459 1.00 0.00 C ATOM 1135 C GLY A 79 -12.350 -2.579 11.316 1.00 0.00 C ATOM 1136 O GLY A 79 -12.270 -2.294 12.512 1.00 0.00 O ATOM 0 H GLY A 79 -12.499 -1.043 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.756 -1.034 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.335 -2.655 10.522 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.491 -3.390 10.706 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.380 -4.004 11.423 1.00 0.00 C ATOM 1142 C ILE A 80 -9.277 -2.989 11.700 1.00 0.00 C ATOM 1143 O ILE A 80 -8.621 -2.503 10.778 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.787 -5.186 10.634 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.900 -6.121 10.156 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.783 -5.943 11.491 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.758 -6.663 11.277 1.00 0.00 C ATOM 0 H ILE A 80 -11.543 -3.637 9.718 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.779 -4.371 12.369 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.268 -4.795 9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.535 -5.585 9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.455 -6.956 9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.372 -6.776 10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.976 -5.272 11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.280 -6.325 12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.525 -7.318 10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.135 -7.227 11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.233 -5.836 11.805 1.00 0.00 H new ATOM 1159 N ALA A 81 -9.077 -2.671 12.975 1.00 0.00 N ATOM 1160 CA ALA A 81 -8.054 -1.713 13.372 1.00 0.00 C ATOM 1161 C ALA A 81 -6.682 -2.374 13.445 1.00 0.00 C ATOM 1162 O ALA A 81 -6.567 -3.554 13.777 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.411 -1.086 14.712 1.00 0.00 C ATOM 0 H ALA A 81 -9.611 -3.064 13.751 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.011 -0.929 12.615 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.638 -0.372 14.997 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.368 -0.571 14.629 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.483 -1.865 15.471 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.643 -1.606 13.132 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.279 -2.117 13.162 1.00 0.00 C ATOM 1171 C TYR A 82 -3.336 -1.113 13.817 1.00 0.00 C ATOM 1172 O TYR A 82 -2.527 -1.471 14.673 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.799 -2.433 11.743 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.436 -3.669 11.150 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -4.074 -4.938 11.584 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.401 -3.567 10.155 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.655 -6.070 11.044 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.987 -4.693 9.611 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.610 -5.942 10.058 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.191 -7.067 9.519 1.00 0.00 O ATOM 0 H TYR A 82 -5.721 -0.627 12.855 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.274 -3.033 13.753 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.011 -1.580 11.098 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.717 -2.562 11.755 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.326 -5.042 12.356 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.698 -2.591 9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.362 -7.049 11.393 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.737 -4.596 8.840 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.844 -6.803 8.837 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.447 0.147 13.409 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.606 1.204 13.957 1.00 0.00 C ATOM 1192 C PHE A 83 -3.352 2.535 13.983 1.00 0.00 C ATOM 1193 O PHE A 83 -4.399 2.682 13.353 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.324 1.341 13.134 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.565 1.401 11.652 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.802 0.243 10.929 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.553 2.614 10.983 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.023 0.294 9.566 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.775 2.671 9.620 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.009 1.510 8.910 1.00 0.00 C ATOM 0 H PHE A 83 -4.111 0.460 12.701 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.346 0.934 14.981 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.797 2.243 13.445 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.669 0.498 13.354 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.814 -0.710 11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.368 3.525 11.533 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.207 -0.616 9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.765 3.623 9.110 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.181 1.552 7.845 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.807 3.500 14.716 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.424 4.817 14.823 1.00 0.00 C ATOM 1212 C GLU A 84 -2.733 5.816 13.902 1.00 0.00 C ATOM 1213 O GLU A 84 -1.505 5.876 13.843 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.367 5.316 16.269 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.022 6.673 16.470 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.433 7.437 17.639 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.313 7.973 17.495 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.091 7.501 18.699 1.00 0.00 O ATOM 0 H GLU A 84 -1.941 3.395 15.244 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.467 4.728 14.518 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.855 4.587 16.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.325 5.374 16.584 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.911 7.264 15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.091 6.536 16.632 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.530 6.600 13.182 1.00 0.00 N ATOM 1226 CA CYS A 85 -2.993 7.596 12.263 1.00 0.00 C ATOM 1227 C CYS A 85 -4.060 8.612 11.871 1.00 0.00 C ATOM 1228 O CYS A 85 -5.193 8.554 12.348 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.432 6.920 11.010 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.504 5.637 10.320 1.00 0.00 S ATOM 0 H CYS A 85 -4.549 6.564 13.218 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.187 8.123 12.775 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.256 7.680 10.248 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.464 6.479 11.250 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.868 4.503 10.302 1.00 0.00 H new ATOM 1236 N LYS A 86 -3.686 9.542 10.999 1.00 0.00 N ATOM 1237 CA LYS A 86 -4.605 10.576 10.538 1.00 0.00 C ATOM 1238 C LYS A 86 -5.823 9.967 9.854 1.00 0.00 C ATOM 1239 O LYS A 86 -6.038 8.756 9.902 1.00 0.00 O ATOM 1240 CB LYS A 86 -3.890 11.522 9.571 1.00 0.00 C ATOM 1241 CG LYS A 86 -3.983 12.984 9.974 1.00 0.00 C ATOM 1242 CD LYS A 86 -2.705 13.461 10.645 1.00 0.00 C ATOM 1243 CE LYS A 86 -1.760 14.112 9.648 1.00 0.00 C ATOM 1244 NZ LYS A 86 -0.355 13.649 9.825 1.00 0.00 N ATOM 0 H LYS A 86 -2.751 9.601 10.597 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.945 11.135 11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.840 11.237 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.315 11.400 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.181 13.593 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.825 13.122 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.951 14.173 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.207 12.617 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.091 13.886 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.802 15.195 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.256 14.117 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.029 13.887 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.309 12.619 9.690 1.00 0.00 H new ATOM 1258 N GLU A 87 -6.612 10.821 9.211 1.00 0.00 N ATOM 1259 CA GLU A 87 -7.806 10.378 8.507 1.00 0.00 C ATOM 1260 C GLU A 87 -7.516 10.195 7.022 1.00 0.00 C ATOM 1261 O GLU A 87 -7.572 11.149 6.247 1.00 0.00 O ATOM 1262 CB GLU A 87 -8.940 11.386 8.699 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.278 10.905 8.164 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.207 10.422 9.260 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.725 11.271 10.015 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -11.414 9.195 9.366 1.00 0.00 O ATOM 0 H GLU A 87 -6.444 11.826 9.164 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.113 9.418 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.042 11.608 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.674 12.319 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.759 11.716 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.111 10.096 7.453 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.197 8.960 6.640 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.884 8.623 5.250 1.00 0.00 C ATOM 1275 C LYS A 88 -5.431 8.951 4.928 1.00 0.00 C ATOM 1276 O LYS A 88 -5.114 9.414 3.832 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.815 9.358 4.278 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.268 9.385 4.726 1.00 0.00 C ATOM 1279 CD LYS A 88 -10.215 9.466 3.541 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.086 8.248 2.639 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.290 8.062 1.782 1.00 0.00 N ATOM 0 H LYS A 88 -7.148 8.168 7.280 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.038 7.551 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.463 10.382 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.754 8.881 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.487 8.490 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.431 10.239 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.241 9.548 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.005 10.369 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.204 8.356 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.934 7.358 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.163 7.222 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.128 7.934 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.421 8.900 1.180 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.550 8.702 5.892 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.126 8.962 5.717 1.00 0.00 C ATOM 1297 C HIS A 89 -2.349 7.654 5.615 1.00 0.00 C ATOM 1298 O HIS A 89 -1.333 7.574 4.924 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.592 9.801 6.880 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.501 11.263 6.572 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.328 11.983 6.606 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.470 12.144 6.214 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.613 13.250 6.277 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.901 13.401 6.030 1.00 0.00 N ATOM 0 H HIS A 89 -4.799 8.320 6.804 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.991 9.518 4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.239 9.660 7.746 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.604 9.435 7.158 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.405 11.617 6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.517 11.907 6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.884 14.045 6.221 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.837 6.629 6.306 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.180 5.335 6.280 1.00 0.00 C ATOM 1314 C GLY A 90 -2.669 4.462 5.141 1.00 0.00 C ATOM 1315 O GLY A 90 -3.837 4.527 4.758 1.00 0.00 O ATOM 0 H GLY A 90 -3.676 6.671 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.103 5.479 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.353 4.823 7.227 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.774 3.645 4.598 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.122 2.757 3.496 1.00 0.00 C ATOM 1321 C ILE A 91 -1.428 1.406 3.637 1.00 0.00 C ATOM 1322 O ILE A 91 -0.238 1.336 3.942 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.749 3.380 2.134 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.216 2.478 0.988 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.248 3.624 2.051 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.474 3.226 -0.303 1.00 0.00 C ATOM 0 H ILE A 91 -0.803 3.579 4.903 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.201 2.610 3.535 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.256 4.341 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.462 1.711 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.129 1.964 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.004 4.063 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.054 4.306 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.281 2.678 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.802 2.525 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.249 3.975 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.557 3.718 -0.628 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.183 0.334 3.414 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.642 -1.016 3.515 1.00 0.00 C ATOM 1340 C PHE A 92 -1.033 -1.460 2.189 1.00 0.00 C ATOM 1341 O PHE A 92 -1.735 -1.590 1.186 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.739 -1.996 3.938 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.294 -1.724 5.307 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.083 -0.610 5.541 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.026 -2.585 6.361 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.596 -0.359 6.800 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.537 -2.338 7.622 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.323 -1.223 7.841 1.00 0.00 C ATOM 0 H PHE A 92 -3.171 0.375 3.162 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.856 -1.010 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.551 -1.955 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.339 -3.009 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.300 0.070 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.412 -3.458 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.210 0.513 6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.322 -3.016 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.723 -1.028 8.825 1.00 0.00 H new ATOM 1358 N ALA A 93 0.275 -1.693 2.192 1.00 0.00 N ATOM 1359 CA ALA A 93 0.977 -2.123 0.989 1.00 0.00 C ATOM 1360 C ALA A 93 1.786 -3.391 1.252 1.00 0.00 C ATOM 1361 O ALA A 93 2.328 -3.576 2.341 1.00 0.00 O ATOM 1362 CB ALA A 93 1.883 -1.011 0.482 1.00 0.00 C ATOM 0 H ALA A 93 0.870 -1.591 3.014 1.00 0.00 H new ATOM 0 HA ALA A 93 0.235 -2.348 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.401 -1.345 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.283 -0.131 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.614 -0.759 1.250 1.00 0.00 H new ATOM 1368 N PRO A 94 1.882 -4.286 0.251 1.00 0.00 N ATOM 1369 CA PRO A 94 2.631 -5.540 0.385 1.00 0.00 C ATOM 1370 C PRO A 94 4.067 -5.309 0.850 1.00 0.00 C ATOM 1371 O PRO A 94 4.603 -4.208 0.713 1.00 0.00 O ATOM 1372 CB PRO A 94 2.616 -6.120 -1.031 1.00 0.00 C ATOM 1373 CG PRO A 94 1.413 -5.521 -1.675 1.00 0.00 C ATOM 1374 CD PRO A 94 1.268 -4.147 -1.083 1.00 0.00 C ATOM 0 HA PRO A 94 2.190 -6.199 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.525 -5.862 -1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.554 -7.208 -1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.535 -5.469 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.526 -6.125 -1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.778 -3.394 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.222 -3.846 -1.015 1.00 0.00 H new ATOM 1382 N PRO A 95 4.714 -6.349 1.404 1.00 0.00 N ATOM 1383 CA PRO A 95 6.096 -6.252 1.887 1.00 0.00 C ATOM 1384 C PRO A 95 7.080 -5.957 0.761 1.00 0.00 C ATOM 1385 O PRO A 95 8.076 -5.261 0.960 1.00 0.00 O ATOM 1386 CB PRO A 95 6.369 -7.635 2.489 1.00 0.00 C ATOM 1387 CG PRO A 95 5.372 -8.538 1.850 1.00 0.00 C ATOM 1388 CD PRO A 95 4.153 -7.696 1.602 1.00 0.00 C ATOM 0 HA PRO A 95 6.221 -5.436 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.388 -7.962 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.253 -7.623 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.759 -8.949 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.138 -9.383 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.600 -8.035 0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.464 -7.726 2.446 1.00 0.00 H new ATOM 1396 N GLN A 96 6.795 -6.492 -0.422 1.00 0.00 N ATOM 1397 CA GLN A 96 7.656 -6.284 -1.581 1.00 0.00 C ATOM 1398 C GLN A 96 7.766 -4.801 -1.920 1.00 0.00 C ATOM 1399 O GLN A 96 8.767 -4.355 -2.480 1.00 0.00 O ATOM 1400 CB GLN A 96 7.117 -7.057 -2.787 1.00 0.00 C ATOM 1401 CG GLN A 96 5.676 -6.720 -3.132 1.00 0.00 C ATOM 1402 CD GLN A 96 5.154 -7.526 -4.306 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.895 -7.842 -5.236 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.870 -7.864 -4.268 1.00 0.00 N ATOM 0 H GLN A 96 5.976 -7.072 -0.603 1.00 0.00 H new ATOM 0 HA GLN A 96 8.651 -6.655 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.747 -6.849 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.193 -8.126 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.046 -6.902 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.600 -5.657 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.291 -7.581 -3.477 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.463 -8.407 -5.030 1.00 0.00 H new ATOM 1413 N LYS A 97 6.730 -4.040 -1.576 1.00 0.00 N ATOM 1414 CA LYS A 97 6.712 -2.607 -1.844 1.00 0.00 C ATOM 1415 C LYS A 97 7.105 -1.816 -0.600 1.00 0.00 C ATOM 1416 O LYS A 97 6.603 -0.717 -0.369 1.00 0.00 O ATOM 1417 CB LYS A 97 5.325 -2.173 -2.322 1.00 0.00 C ATOM 1418 CG LYS A 97 4.857 -2.900 -3.572 1.00 0.00 C ATOM 1419 CD LYS A 97 4.807 -1.971 -4.775 1.00 0.00 C ATOM 1420 CE LYS A 97 3.668 -0.969 -4.662 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.130 0.426 -4.901 1.00 0.00 N ATOM 0 H LYS A 97 5.893 -4.393 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 97 7.440 -2.400 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.605 -2.343 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.337 -1.101 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.529 -3.732 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.868 -3.324 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.754 -1.438 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.686 -2.559 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.889 -1.222 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.220 -1.038 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.319 1.020 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.564 0.802 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.831 0.433 -5.669 1.00 0.00 H new ATOM 1435 N ILE A 98 8.003 -2.385 0.197 1.00 0.00 N ATOM 1436 CA ILE A 98 8.463 -1.733 1.418 1.00 0.00 C ATOM 1437 C ILE A 98 9.971 -1.512 1.387 1.00 0.00 C ATOM 1438 O ILE A 98 10.749 -2.453 1.535 1.00 0.00 O ATOM 1439 CB ILE A 98 8.103 -2.559 2.667 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.644 -3.015 2.604 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.356 -1.749 3.930 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.658 -1.874 2.480 1.00 0.00 C ATOM 0 H ILE A 98 8.427 -3.296 0.020 1.00 0.00 H new ATOM 0 HA ILE A 98 7.957 -0.769 1.471 1.00 0.00 H new ATOM 0 HB ILE A 98 8.739 -3.444 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.518 -3.687 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.412 -3.589 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.097 -2.347 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.409 -1.472 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.744 -0.847 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.644 -2.272 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.756 -1.214 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.863 -1.313 1.568 1.00 0.00 H new ATOM 1454 N SER A 99 10.377 -0.261 1.197 1.00 0.00 N ATOM 1455 CA SER A 99 11.793 0.084 1.148 1.00 0.00 C ATOM 1456 C SER A 99 12.142 1.109 2.223 1.00 0.00 C ATOM 1457 O SER A 99 11.263 1.610 2.924 1.00 0.00 O ATOM 1458 CB SER A 99 12.160 0.634 -0.232 1.00 0.00 C ATOM 1459 OG SER A 99 11.396 0.007 -1.249 1.00 0.00 O ATOM 0 H SER A 99 9.746 0.531 1.074 1.00 0.00 H new ATOM 0 HA SER A 99 12.367 -0.824 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.989 1.710 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.222 0.475 -0.420 1.00 0.00 H new ATOM 0 HG SER A 99 11.571 0.446 -2.107 1.00 0.00 H new ATOM 1465 N HIS A 100 13.429 1.414 2.348 1.00 0.00 N ATOM 1466 CA HIS A 100 13.894 2.379 3.337 1.00 0.00 C ATOM 1467 C HIS A 100 14.036 3.765 2.721 1.00 0.00 C ATOM 1468 O HIS A 100 14.635 3.924 1.656 1.00 0.00 O ATOM 1469 CB HIS A 100 15.230 1.930 3.929 1.00 0.00 C ATOM 1470 CG HIS A 100 15.105 0.802 4.906 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.983 -0.520 4.541 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.082 0.820 6.263 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.892 -1.249 5.662 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.947 -0.483 6.735 1.00 0.00 N ATOM 0 H HIS A 100 14.169 1.007 1.776 1.00 0.00 H new ATOM 0 HA HIS A 100 13.152 2.431 4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.893 1.626 3.119 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.701 2.778 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.157 1.704 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.787 -2.324 5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.900 -0.783 7.709 1.00 0.00 H new ATOM 1482 N ILE A 101 13.483 4.768 3.396 1.00 0.00 N ATOM 1483 CA ILE A 101 13.549 6.142 2.914 1.00 0.00 C ATOM 1484 C ILE A 101 14.926 6.752 3.174 1.00 0.00 C ATOM 1485 O ILE A 101 15.314 6.954 4.325 1.00 0.00 O ATOM 1486 CB ILE A 101 12.478 7.024 3.586 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.112 6.338 3.532 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.420 8.388 2.917 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.024 7.096 4.260 1.00 0.00 C ATOM 0 H ILE A 101 12.984 4.654 4.278 1.00 0.00 H new ATOM 0 HA ILE A 101 13.364 6.109 1.840 1.00 0.00 H new ATOM 0 HB ILE A 101 12.749 7.166 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.820 6.211 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.199 5.340 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.659 8.999 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.390 8.878 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.169 8.266 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.084 6.550 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.294 7.200 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.909 8.084 3.815 1.00 0.00 H new ATOM 1501 N PRO A 102 15.688 7.055 2.106 1.00 0.00 N ATOM 1502 CA PRO A 102 17.026 7.644 2.236 1.00 0.00 C ATOM 1503 C PRO A 102 17.021 8.906 3.091 1.00 0.00 C ATOM 1504 O PRO A 102 15.998 9.273 3.670 1.00 0.00 O ATOM 1505 CB PRO A 102 17.413 7.979 0.793 1.00 0.00 C ATOM 1506 CG PRO A 102 16.605 7.049 -0.043 1.00 0.00 C ATOM 1507 CD PRO A 102 15.311 6.851 0.695 1.00 0.00 C ATOM 0 HA PRO A 102 17.722 6.966 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.191 9.019 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.480 7.835 0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.429 7.467 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.123 6.101 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.552 7.565 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.902 5.855 0.528 1.00 0.00 H new