USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 289 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 Single : A 27 LYS NZ :NH3+ 151:sc= -1.94! (180deg=-3.63!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 36 CYS SG : rot 161:sc= 0.0637 USER MOD Single : A 40 ASN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 42 GLN : amide:sc= -4.46! K(o=-4.5!,f=-1.6) USER MOD Single : A 47 CYS SG : rot -32:sc= -1.7 USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0278) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00118 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0344 (180deg=-0.254) USER MOD Single : A 57 CYS SG : rot -21:sc= 0.00218 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= 0.0306 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 399 N LYS A 27 -3.075 2.926 -5.252 1.00 0.00 N ATOM 400 CA LYS A 27 -3.642 2.289 -6.437 1.00 0.00 C ATOM 401 C LYS A 27 -3.900 0.795 -6.206 1.00 0.00 C ATOM 402 O LYS A 27 -4.999 0.310 -6.476 1.00 0.00 O ATOM 403 CB LYS A 27 -2.722 2.489 -7.646 1.00 0.00 C ATOM 404 CG LYS A 27 -3.267 1.892 -8.934 1.00 0.00 C ATOM 405 CD LYS A 27 -2.318 2.116 -10.102 1.00 0.00 C ATOM 406 CE LYS A 27 -2.487 3.500 -10.713 1.00 0.00 C ATOM 407 NZ LYS A 27 -2.131 4.585 -9.756 1.00 0.00 N ATOM 0 HA LYS A 27 -4.601 2.765 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.556 3.556 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.751 2.042 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.432 0.823 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.235 2.338 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.289 1.992 -9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.496 1.358 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.861 3.582 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.520 3.628 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.785 5.412 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.972 4.852 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.388 4.249 -9.111 1.00 0.00 H new ATOM 421 N PRO A 28 -2.901 0.034 -5.703 1.00 0.00 N ATOM 422 CA PRO A 28 -3.065 -1.402 -5.453 1.00 0.00 C ATOM 423 C PRO A 28 -3.980 -1.688 -4.266 1.00 0.00 C ATOM 424 O PRO A 28 -4.568 -2.766 -4.168 1.00 0.00 O ATOM 425 CB PRO A 28 -1.642 -1.878 -5.159 1.00 0.00 C ATOM 426 CG PRO A 28 -0.956 -0.678 -4.612 1.00 0.00 C ATOM 427 CD PRO A 28 -1.543 0.498 -5.341 1.00 0.00 C ATOM 0 HA PRO A 28 -3.532 -1.909 -6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.638 -2.699 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.150 -2.240 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.117 -0.592 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.121 -0.738 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.577 1.386 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.958 0.756 -6.224 1.00 0.00 H new ATOM 435 N GLU A 29 -4.101 -0.714 -3.366 1.00 0.00 N ATOM 436 CA GLU A 29 -4.946 -0.868 -2.187 1.00 0.00 C ATOM 437 C GLU A 29 -6.410 -1.022 -2.581 1.00 0.00 C ATOM 438 O GLU A 29 -7.155 -1.773 -1.952 1.00 0.00 O ATOM 439 CB GLU A 29 -4.784 0.330 -1.248 1.00 0.00 C ATOM 440 CG GLU A 29 -5.554 0.188 0.054 1.00 0.00 C ATOM 441 CD GLU A 29 -5.183 -1.068 0.819 1.00 0.00 C ATOM 442 OE1 GLU A 29 -4.228 -1.015 1.622 1.00 0.00 O ATOM 443 OE2 GLU A 29 -5.849 -2.105 0.613 1.00 0.00 O ATOM 0 H GLU A 29 -3.626 0.186 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.630 -1.772 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.726 0.464 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.117 1.232 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.364 1.060 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.623 0.176 -0.160 1.00 0.00 H new ATOM 450 N LYS A 30 -6.818 -0.304 -3.623 1.00 0.00 N ATOM 451 CA LYS A 30 -8.195 -0.367 -4.099 1.00 0.00 C ATOM 452 C LYS A 30 -8.537 -1.776 -4.571 1.00 0.00 C ATOM 453 O LYS A 30 -9.611 -2.301 -4.271 1.00 0.00 O ATOM 454 CB LYS A 30 -8.413 0.629 -5.239 1.00 0.00 C ATOM 455 CG LYS A 30 -8.164 2.076 -4.845 1.00 0.00 C ATOM 456 CD LYS A 30 -8.460 3.024 -5.996 1.00 0.00 C ATOM 457 CE LYS A 30 -8.194 4.469 -5.610 1.00 0.00 C ATOM 458 NZ LYS A 30 -8.506 5.408 -6.723 1.00 0.00 N ATOM 0 H LYS A 30 -6.216 0.327 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.852 -0.106 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.754 0.369 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.436 0.532 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.788 2.334 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.127 2.196 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.845 2.757 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.501 2.914 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.794 4.728 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.149 4.581 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.311 6.383 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.915 5.178 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.510 5.320 -6.981 1.00 0.00 H new ATOM 472 N GLU A 31 -7.613 -2.383 -5.308 1.00 0.00 N ATOM 473 CA GLU A 31 -7.809 -3.732 -5.824 1.00 0.00 C ATOM 474 C GLU A 31 -7.892 -4.741 -4.684 1.00 0.00 C ATOM 475 O GLU A 31 -8.758 -5.616 -4.679 1.00 0.00 O ATOM 476 CB GLU A 31 -6.667 -4.107 -6.770 1.00 0.00 C ATOM 477 CG GLU A 31 -6.555 -3.192 -7.979 1.00 0.00 C ATOM 478 CD GLU A 31 -7.777 -3.258 -8.875 1.00 0.00 C ATOM 479 OE1 GLU A 31 -8.734 -2.495 -8.631 1.00 0.00 O ATOM 480 OE2 GLU A 31 -7.775 -4.073 -9.822 1.00 0.00 O ATOM 0 H GLU A 31 -6.720 -1.961 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.750 -3.753 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.727 -4.084 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.811 -5.132 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.412 -2.166 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.671 -3.464 -8.556 1.00 0.00 H new ATOM 487 N GLU A 32 -6.987 -4.611 -3.719 1.00 0.00 N ATOM 488 CA GLU A 32 -6.954 -5.510 -2.570 1.00 0.00 C ATOM 489 C GLU A 32 -8.238 -5.404 -1.753 1.00 0.00 C ATOM 490 O GLU A 32 -8.786 -6.413 -1.307 1.00 0.00 O ATOM 491 CB GLU A 32 -5.744 -5.195 -1.688 1.00 0.00 C ATOM 492 CG GLU A 32 -4.412 -5.439 -2.377 1.00 0.00 C ATOM 493 CD GLU A 32 -3.229 -5.073 -1.503 1.00 0.00 C ATOM 494 OE1 GLU A 32 -2.782 -5.934 -0.717 1.00 0.00 O ATOM 495 OE2 GLU A 32 -2.747 -3.925 -1.605 1.00 0.00 O ATOM 0 H GLU A 32 -6.265 -3.890 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.870 -6.531 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.796 -4.153 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.794 -5.804 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.340 -6.489 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.372 -4.858 -3.299 1.00 0.00 H new ATOM 502 N ARG A 33 -8.711 -4.177 -1.558 1.00 0.00 N ATOM 503 CA ARG A 33 -9.932 -3.938 -0.796 1.00 0.00 C ATOM 504 C ARG A 33 -11.117 -4.644 -1.450 1.00 0.00 C ATOM 505 O ARG A 33 -11.856 -5.385 -0.795 1.00 0.00 O ATOM 506 CB ARG A 33 -10.206 -2.435 -0.701 1.00 0.00 C ATOM 507 CG ARG A 33 -11.330 -2.076 0.256 1.00 0.00 C ATOM 508 CD ARG A 33 -11.804 -0.646 0.043 1.00 0.00 C ATOM 509 NE ARG A 33 -12.337 -0.442 -1.301 1.00 0.00 N ATOM 510 CZ ARG A 33 -12.520 0.756 -1.851 1.00 0.00 C ATOM 511 NH1 ARG A 33 -12.200 1.855 -1.181 1.00 0.00 N ATOM 512 NH2 ARG A 33 -13.020 0.854 -3.075 1.00 0.00 N ATOM 0 H ARG A 33 -8.267 -3.332 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.798 -4.340 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.295 -1.928 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.451 -2.056 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.164 -2.763 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.988 -2.198 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.572 -0.405 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.974 0.040 0.212 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.583 -1.265 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.812 1.784 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.342 2.771 -1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.264 0.011 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.160 1.772 -3.497 1.00 0.00 H new ATOM 526 N ASP A 34 -11.289 -4.410 -2.748 1.00 0.00 N ATOM 527 CA ASP A 34 -12.378 -5.020 -3.502 1.00 0.00 C ATOM 528 C ASP A 34 -12.246 -6.541 -3.511 1.00 0.00 C ATOM 529 O ASP A 34 -13.244 -7.258 -3.502 1.00 0.00 O ATOM 530 CB ASP A 34 -12.397 -4.491 -4.937 1.00 0.00 C ATOM 531 CG ASP A 34 -13.544 -5.060 -5.748 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.361 -6.128 -6.369 1.00 0.00 O ATOM 533 OD2 ASP A 34 -14.627 -4.437 -5.762 1.00 0.00 O ATOM 0 H ASP A 34 -10.686 -3.800 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.316 -4.755 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.472 -3.404 -4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.454 -4.737 -5.425 1.00 0.00 H new ATOM 538 N THR A 35 -11.005 -7.022 -3.527 1.00 0.00 N ATOM 539 CA THR A 35 -10.742 -8.457 -3.534 1.00 0.00 C ATOM 540 C THR A 35 -11.168 -9.093 -2.215 1.00 0.00 C ATOM 541 O THR A 35 -11.637 -10.231 -2.186 1.00 0.00 O ATOM 542 CB THR A 35 -9.251 -8.759 -3.789 1.00 0.00 C ATOM 543 OG1 THR A 35 -8.855 -8.228 -5.060 1.00 0.00 O ATOM 544 CG2 THR A 35 -8.983 -10.257 -3.759 1.00 0.00 C ATOM 0 H THR A 35 -10.168 -6.439 -3.535 1.00 0.00 H new ATOM 0 HA THR A 35 -11.328 -8.885 -4.348 1.00 0.00 H new ATOM 0 HB THR A 35 -8.670 -8.287 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.905 -7.250 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.924 -10.441 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.257 -10.656 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.575 -10.748 -4.531 1.00 0.00 H new ATOM 552 N CYS A 36 -11.001 -8.350 -1.125 1.00 0.00 N ATOM 553 CA CYS A 36 -11.376 -8.840 0.196 1.00 0.00 C ATOM 554 C CYS A 36 -12.893 -8.950 0.310 1.00 0.00 C ATOM 555 O CYS A 36 -13.420 -9.978 0.739 1.00 0.00 O ATOM 556 CB CYS A 36 -10.835 -7.911 1.285 1.00 0.00 C ATOM 557 SG CYS A 36 -11.222 -8.444 2.969 1.00 0.00 S ATOM 0 H CYS A 36 -10.609 -7.408 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 36 -10.940 -9.830 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.753 -7.836 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.241 -6.911 1.129 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.416 -7.860 3.805 1.00 0.00 H new ATOM 563 N ILE A 37 -13.589 -7.885 -0.081 1.00 0.00 N ATOM 564 CA ILE A 37 -15.047 -7.865 -0.032 1.00 0.00 C ATOM 565 C ILE A 37 -15.636 -8.907 -0.978 1.00 0.00 C ATOM 566 O ILE A 37 -16.664 -9.515 -0.685 1.00 0.00 O ATOM 567 CB ILE A 37 -15.604 -6.471 -0.395 1.00 0.00 C ATOM 568 CG1 ILE A 37 -15.155 -5.439 0.639 1.00 0.00 C ATOM 569 CG2 ILE A 37 -17.124 -6.505 -0.488 1.00 0.00 C ATOM 570 CD1 ILE A 37 -15.461 -4.009 0.245 1.00 0.00 C ATOM 0 H ILE A 37 -13.167 -7.026 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.338 -8.102 0.991 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.210 -6.185 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -15.641 -5.656 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.082 -5.541 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.495 -5.513 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.426 -7.216 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.540 -6.811 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -15.114 -3.334 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.953 -3.773 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.537 -3.890 0.114 1.00 0.00 H new ATOM 582 N LEU A 38 -14.972 -9.111 -2.111 1.00 0.00 N ATOM 583 CA LEU A 38 -15.427 -10.079 -3.102 1.00 0.00 C ATOM 584 C LEU A 38 -15.215 -11.503 -2.592 1.00 0.00 C ATOM 585 O LEU A 38 -16.056 -12.379 -2.794 1.00 0.00 O ATOM 586 CB LEU A 38 -14.675 -9.872 -4.423 1.00 0.00 C ATOM 587 CG LEU A 38 -15.445 -10.237 -5.699 1.00 0.00 C ATOM 588 CD1 LEU A 38 -15.790 -11.718 -5.725 1.00 0.00 C ATOM 589 CD2 LEU A 38 -16.706 -9.394 -5.822 1.00 0.00 C ATOM 0 H LEU A 38 -14.116 -8.618 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.493 -9.928 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.377 -8.825 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.759 -10.463 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.801 -10.025 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.335 -11.949 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.873 -12.306 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.410 -11.962 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.239 -9.667 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.348 -9.571 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.436 -8.339 -5.862 1.00 0.00 H new ATOM 601 N PHE A 39 -14.090 -11.719 -1.918 1.00 0.00 N ATOM 602 CA PHE A 39 -13.759 -13.034 -1.380 1.00 0.00 C ATOM 603 C PHE A 39 -14.779 -13.473 -0.334 1.00 0.00 C ATOM 604 O PHE A 39 -15.450 -14.493 -0.498 1.00 0.00 O ATOM 605 CB PHE A 39 -12.357 -13.013 -0.764 1.00 0.00 C ATOM 606 CG PHE A 39 -11.810 -14.379 -0.467 1.00 0.00 C ATOM 607 CD1 PHE A 39 -12.058 -14.992 0.750 1.00 0.00 C ATOM 608 CD2 PHE A 39 -11.047 -15.052 -1.409 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.555 -16.249 1.024 1.00 0.00 C ATOM 610 CE2 PHE A 39 -10.540 -16.309 -1.140 1.00 0.00 C ATOM 611 CZ PHE A 39 -10.795 -16.909 0.078 1.00 0.00 C ATOM 0 H PHE A 39 -13.391 -11.000 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.782 -13.750 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.678 -12.499 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.383 -12.433 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.652 -14.481 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.847 -14.589 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.756 -16.715 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.945 -16.822 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.401 -17.892 0.290 1.00 0.00 H new ATOM 621 N ASN A 40 -14.894 -12.700 0.742 1.00 0.00 N ATOM 622 CA ASN A 40 -15.831 -13.019 1.815 1.00 0.00 C ATOM 623 C ASN A 40 -17.271 -12.755 1.383 1.00 0.00 C ATOM 624 O ASN A 40 -18.104 -13.661 1.382 1.00 0.00 O ATOM 625 CB ASN A 40 -15.507 -12.202 3.067 1.00 0.00 C ATOM 626 CG ASN A 40 -14.134 -12.519 3.625 1.00 0.00 C ATOM 627 OD1 ASN A 40 -13.982 -13.407 4.464 1.00 0.00 O ATOM 628 ND2 ASN A 40 -13.124 -11.793 3.160 1.00 0.00 N ATOM 0 H ASN A 40 -14.351 -11.850 0.894 1.00 0.00 H new ATOM 0 HA ASN A 40 -15.728 -14.080 2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -15.563 -11.140 2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -16.260 -12.398 3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.177 -11.962 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.296 -11.067 2.465 1.00 0.00 H new ATOM 635 N GLY A 41 -17.554 -11.509 1.018 1.00 0.00 N ATOM 636 CA GLY A 41 -18.892 -11.147 0.590 1.00 0.00 C ATOM 637 C GLY A 41 -19.260 -9.729 0.978 1.00 0.00 C ATOM 638 O GLY A 41 -19.045 -8.792 0.208 1.00 0.00 O ATOM 0 H GLY A 41 -16.880 -10.743 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.966 -11.255 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.611 -11.839 1.029 1.00 0.00 H new ATOM 642 N GLN A 42 -19.816 -9.572 2.175 1.00 0.00 N ATOM 643 CA GLN A 42 -20.216 -8.262 2.674 1.00 0.00 C ATOM 644 C GLN A 42 -20.718 -8.359 4.111 1.00 0.00 C ATOM 645 O GLN A 42 -21.067 -9.443 4.581 1.00 0.00 O ATOM 646 CB GLN A 42 -21.301 -7.661 1.775 1.00 0.00 C ATOM 647 CG GLN A 42 -22.559 -8.511 1.676 1.00 0.00 C ATOM 648 CD GLN A 42 -23.520 -8.282 2.828 1.00 0.00 C ATOM 649 OE1 GLN A 42 -24.230 -9.195 3.251 1.00 0.00 O ATOM 650 NE2 GLN A 42 -23.557 -7.055 3.337 1.00 0.00 N ATOM 0 H GLN A 42 -20.000 -10.340 2.820 1.00 0.00 H new ATOM 0 HA GLN A 42 -19.343 -7.610 2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -21.569 -6.675 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -20.892 -7.517 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -23.067 -8.291 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -22.278 -9.564 1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -22.952 -6.327 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -24.191 -6.841 4.107 1.00 0.00 H new ATOM 659 N ASP A 43 -20.740 -7.221 4.804 1.00 0.00 N ATOM 660 CA ASP A 43 -21.202 -7.157 6.192 1.00 0.00 C ATOM 661 C ASP A 43 -20.253 -7.897 7.135 1.00 0.00 C ATOM 662 O ASP A 43 -20.408 -7.838 8.355 1.00 0.00 O ATOM 663 CB ASP A 43 -22.618 -7.731 6.313 1.00 0.00 C ATOM 664 CG ASP A 43 -23.152 -7.669 7.731 1.00 0.00 C ATOM 665 OD1 ASP A 43 -23.727 -6.627 8.105 1.00 0.00 O ATOM 666 OD2 ASP A 43 -22.994 -8.666 8.469 1.00 0.00 O ATOM 0 H ASP A 43 -20.441 -6.323 4.424 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.216 -6.107 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.287 -7.180 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.617 -8.767 5.974 1.00 0.00 H new ATOM 719 N CYS A 47 -14.205 -5.399 5.762 1.00 0.00 N ATOM 720 CA CYS A 47 -12.791 -5.244 5.415 1.00 0.00 C ATOM 721 C CYS A 47 -12.230 -3.928 5.952 1.00 0.00 C ATOM 722 O CYS A 47 -11.493 -3.225 5.261 1.00 0.00 O ATOM 723 CB CYS A 47 -12.599 -5.325 3.896 1.00 0.00 C ATOM 724 SG CYS A 47 -13.253 -3.909 2.981 1.00 0.00 S ATOM 0 HA CYS A 47 -12.241 -6.061 5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.535 -5.420 3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.080 -6.232 3.530 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.299 -3.441 3.595 1.00 0.00 H new ATOM 730 N LYS A 48 -12.581 -3.612 7.195 1.00 0.00 N ATOM 731 CA LYS A 48 -12.128 -2.384 7.840 1.00 0.00 C ATOM 732 C LYS A 48 -10.607 -2.258 7.803 1.00 0.00 C ATOM 733 O LYS A 48 -10.066 -1.158 7.906 1.00 0.00 O ATOM 734 CB LYS A 48 -12.617 -2.346 9.290 1.00 0.00 C ATOM 735 CG LYS A 48 -14.118 -2.147 9.424 1.00 0.00 C ATOM 736 CD LYS A 48 -14.619 -2.577 10.795 1.00 0.00 C ATOM 737 CE LYS A 48 -16.073 -2.188 11.004 1.00 0.00 C ATOM 738 NZ LYS A 48 -16.977 -2.873 10.040 1.00 0.00 N ATOM 0 H LYS A 48 -13.182 -4.194 7.779 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.548 -1.543 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.338 -3.277 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.104 -1.541 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.363 -1.098 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.632 -2.720 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.511 -3.657 10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.004 -2.118 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.372 -2.437 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.179 -1.109 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.965 -2.633 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.752 -2.563 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.846 -3.902 10.113 1.00 0.00 H new ATOM 752 N GLU A 49 -9.920 -3.386 7.654 1.00 0.00 N ATOM 753 CA GLU A 49 -8.461 -3.387 7.613 1.00 0.00 C ATOM 754 C GLU A 49 -7.940 -2.709 6.347 1.00 0.00 C ATOM 755 O GLU A 49 -7.088 -1.822 6.415 1.00 0.00 O ATOM 756 CB GLU A 49 -7.930 -4.820 7.697 1.00 0.00 C ATOM 757 CG GLU A 49 -6.413 -4.910 7.661 1.00 0.00 C ATOM 758 CD GLU A 49 -5.908 -6.325 7.856 1.00 0.00 C ATOM 759 OE1 GLU A 49 -5.971 -7.117 6.892 1.00 0.00 O ATOM 760 OE2 GLU A 49 -5.451 -6.643 8.975 1.00 0.00 O ATOM 0 H GLU A 49 -10.347 -4.307 7.560 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.102 -2.820 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.291 -5.279 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.340 -5.399 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.053 -4.528 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.996 -4.269 8.438 1.00 0.00 H new ATOM 767 N PHE A 50 -8.463 -3.122 5.197 1.00 0.00 N ATOM 768 CA PHE A 50 -8.042 -2.557 3.919 1.00 0.00 C ATOM 769 C PHE A 50 -8.546 -1.128 3.753 1.00 0.00 C ATOM 770 O PHE A 50 -7.826 -0.261 3.255 1.00 0.00 O ATOM 771 CB PHE A 50 -8.538 -3.426 2.762 1.00 0.00 C ATOM 772 CG PHE A 50 -7.912 -4.790 2.729 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.694 -4.992 2.100 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.542 -5.872 3.325 1.00 0.00 C ATOM 775 CE1 PHE A 50 -6.114 -6.246 2.067 1.00 0.00 C ATOM 776 CE2 PHE A 50 -7.967 -7.128 3.294 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.751 -7.316 2.665 1.00 0.00 C ATOM 0 H PHE A 50 -9.178 -3.845 5.123 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.952 -2.536 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.620 -3.533 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.331 -2.917 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.192 -4.159 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.492 -5.731 3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.164 -6.389 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.468 -7.963 3.761 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.300 -8.297 2.641 1.00 0.00 H new ATOM 787 N ILE A 51 -9.784 -0.885 4.172 1.00 0.00 N ATOM 788 CA ILE A 51 -10.375 0.444 4.065 1.00 0.00 C ATOM 789 C ILE A 51 -9.568 1.463 4.867 1.00 0.00 C ATOM 790 O ILE A 51 -9.122 2.477 4.328 1.00 0.00 O ATOM 791 CB ILE A 51 -11.839 0.454 4.549 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.680 -0.512 3.708 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.410 1.865 4.481 1.00 0.00 C ATOM 794 CD1 ILE A 51 -14.134 -0.579 4.126 1.00 0.00 C ATOM 0 H ILE A 51 -10.395 -1.588 4.587 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.357 0.719 3.010 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.869 0.123 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.626 -0.210 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -12.246 -1.510 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.444 1.856 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.821 2.527 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.374 2.223 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.665 -1.283 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.200 -0.911 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.585 0.409 4.032 1.00 0.00 H new ATOM 806 N GLU A 52 -9.384 1.187 6.156 1.00 0.00 N ATOM 807 CA GLU A 52 -8.625 2.080 7.026 1.00 0.00 C ATOM 808 C GLU A 52 -7.207 2.269 6.496 1.00 0.00 C ATOM 809 O GLU A 52 -6.697 3.388 6.451 1.00 0.00 O ATOM 810 CB GLU A 52 -8.584 1.533 8.454 1.00 0.00 C ATOM 811 CG GLU A 52 -9.929 1.578 9.161 1.00 0.00 C ATOM 812 CD GLU A 52 -10.508 2.979 9.226 1.00 0.00 C ATOM 813 OE1 GLU A 52 -11.235 3.364 8.286 1.00 0.00 O ATOM 814 OE2 GLU A 52 -10.234 3.690 10.215 1.00 0.00 O ATOM 0 H GLU A 52 -9.749 0.355 6.619 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.125 3.049 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.230 0.502 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.859 2.105 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.630 0.923 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.817 1.188 10.173 1.00 0.00 H new ATOM 821 N LYS A 53 -6.577 1.168 6.096 1.00 0.00 N ATOM 822 CA LYS A 53 -5.223 1.215 5.560 1.00 0.00 C ATOM 823 C LYS A 53 -5.159 2.132 4.341 1.00 0.00 C ATOM 824 O LYS A 53 -4.151 2.798 4.103 1.00 0.00 O ATOM 825 CB LYS A 53 -4.753 -0.190 5.191 1.00 0.00 C ATOM 826 CG LYS A 53 -3.393 -0.228 4.507 1.00 0.00 C ATOM 827 CD LYS A 53 -2.272 0.156 5.461 1.00 0.00 C ATOM 828 CE LYS A 53 -2.003 -0.941 6.480 1.00 0.00 C ATOM 829 NZ LYS A 53 -0.892 -0.580 7.403 1.00 0.00 N ATOM 0 H LYS A 53 -6.984 0.233 6.133 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.561 1.617 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.711 -0.797 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.492 -0.648 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.211 -1.229 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.395 0.452 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.363 0.357 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.535 1.078 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.908 -1.130 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.757 -1.867 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.740 -1.353 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.022 -0.424 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.137 0.290 7.918 1.00 0.00 H new ATOM 843 N TYR A 54 -6.246 2.161 3.575 1.00 0.00 N ATOM 844 CA TYR A 54 -6.325 2.995 2.380 1.00 0.00 C ATOM 845 C TYR A 54 -6.399 4.472 2.752 1.00 0.00 C ATOM 846 O TYR A 54 -5.727 5.308 2.148 1.00 0.00 O ATOM 847 CB TYR A 54 -7.545 2.601 1.540 1.00 0.00 C ATOM 848 CG TYR A 54 -7.859 3.568 0.418 1.00 0.00 C ATOM 849 CD1 TYR A 54 -7.225 3.464 -0.815 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.791 4.585 0.591 1.00 0.00 C ATOM 851 CE1 TYR A 54 -7.510 4.345 -1.840 1.00 0.00 C ATOM 852 CE2 TYR A 54 -9.081 5.469 -0.431 1.00 0.00 C ATOM 853 CZ TYR A 54 -8.438 5.345 -1.644 1.00 0.00 C ATOM 854 OH TYR A 54 -8.725 6.223 -2.663 1.00 0.00 O ATOM 0 H TYR A 54 -7.087 1.615 3.762 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.422 2.835 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.377 1.611 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.414 2.525 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.498 2.682 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.297 4.686 1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.008 4.251 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.808 6.253 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.401 6.865 -2.361 1.00 0.00 H new ATOM 864 N LYS A 55 -7.222 4.784 3.747 1.00 0.00 N ATOM 865 CA LYS A 55 -7.393 6.161 4.197 1.00 0.00 C ATOM 866 C LYS A 55 -6.080 6.746 4.709 1.00 0.00 C ATOM 867 O LYS A 55 -5.679 7.837 4.304 1.00 0.00 O ATOM 868 CB LYS A 55 -8.455 6.230 5.293 1.00 0.00 C ATOM 869 CG LYS A 55 -9.847 5.852 4.815 1.00 0.00 C ATOM 870 CD LYS A 55 -10.869 5.972 5.934 1.00 0.00 C ATOM 871 CE LYS A 55 -12.273 5.659 5.443 1.00 0.00 C ATOM 872 NZ LYS A 55 -12.713 6.603 4.379 1.00 0.00 N ATOM 0 H LYS A 55 -7.782 4.101 4.258 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.718 6.753 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.167 5.567 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.481 7.241 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.136 6.497 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.838 4.830 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.605 5.291 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.843 6.981 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.304 4.639 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.969 5.706 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.744 6.538 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.456 7.574 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.247 6.357 3.482 1.00 0.00 H new ATOM 886 N GLU A 56 -5.417 6.017 5.602 1.00 0.00 N ATOM 887 CA GLU A 56 -4.150 6.471 6.170 1.00 0.00 C ATOM 888 C GLU A 56 -3.084 6.620 5.089 1.00 0.00 C ATOM 889 O GLU A 56 -2.449 7.671 4.971 1.00 0.00 O ATOM 890 CB GLU A 56 -3.669 5.494 7.246 1.00 0.00 C ATOM 891 CG GLU A 56 -4.644 5.330 8.402 1.00 0.00 C ATOM 892 CD GLU A 56 -4.928 6.636 9.119 1.00 0.00 C ATOM 893 OE1 GLU A 56 -4.131 7.012 10.005 1.00 0.00 O ATOM 894 OE2 GLU A 56 -5.946 7.282 8.794 1.00 0.00 O ATOM 0 H GLU A 56 -5.734 5.111 5.948 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.317 7.448 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.495 4.520 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.711 5.839 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.580 4.916 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.239 4.610 9.114 1.00 0.00 H new ATOM 901 N CYS A 57 -2.890 5.564 4.303 1.00 0.00 N ATOM 902 CA CYS A 57 -1.896 5.579 3.233 1.00 0.00 C ATOM 903 C CYS A 57 -2.151 6.733 2.268 1.00 0.00 C ATOM 904 O CYS A 57 -1.215 7.301 1.705 1.00 0.00 O ATOM 905 CB CYS A 57 -1.908 4.250 2.475 1.00 0.00 C ATOM 906 SG CYS A 57 -0.635 4.119 1.199 1.00 0.00 S ATOM 0 H CYS A 57 -3.407 4.689 4.387 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.915 5.720 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.778 3.436 3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.886 4.116 2.013 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.237 5.309 0.859 1.00 0.00 H new ATOM 912 N MET A 58 -3.423 7.072 2.081 1.00 0.00 N ATOM 913 CA MET A 58 -3.801 8.163 1.190 1.00 0.00 C ATOM 914 C MET A 58 -3.581 9.510 1.869 1.00 0.00 C ATOM 915 O MET A 58 -3.286 10.508 1.211 1.00 0.00 O ATOM 916 CB MET A 58 -5.265 8.022 0.768 1.00 0.00 C ATOM 917 CG MET A 58 -5.693 9.032 -0.285 1.00 0.00 C ATOM 918 SD MET A 58 -4.712 8.915 -1.792 1.00 0.00 S ATOM 919 CE MET A 58 -5.369 10.291 -2.726 1.00 0.00 C ATOM 0 H MET A 58 -4.209 6.607 2.535 1.00 0.00 H new ATOM 0 HA MET A 58 -3.171 8.114 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.428 7.016 0.382 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.900 8.134 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.744 8.877 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.605 10.038 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.861 10.353 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.437 10.144 -2.888 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.210 11.216 -2.172 1.00 0.00 H new ATOM 929 N LYS A 59 -3.721 9.530 3.192 1.00 0.00 N ATOM 930 CA LYS A 59 -3.532 10.753 3.961 1.00 0.00 C ATOM 931 C LYS A 59 -2.085 11.224 3.863 1.00 0.00 C ATOM 932 O LYS A 59 -1.819 12.412 3.680 1.00 0.00 O ATOM 933 CB LYS A 59 -3.912 10.528 5.426 1.00 0.00 C ATOM 934 CG LYS A 59 -3.776 11.775 6.287 1.00 0.00 C ATOM 935 CD LYS A 59 -4.165 11.506 7.733 1.00 0.00 C ATOM 936 CE LYS A 59 -3.186 10.558 8.410 1.00 0.00 C ATOM 937 NZ LYS A 59 -3.557 10.301 9.829 1.00 0.00 N ATOM 0 H LYS A 59 -3.965 8.713 3.752 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.181 11.524 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.941 10.172 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.282 9.740 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.748 12.134 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.406 12.567 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.200 12.447 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.168 11.080 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.158 9.614 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.182 10.981 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.769 10.577 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.401 10.857 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.761 9.289 9.957 1.00 0.00 H new ATOM 951 N GLY A 60 -1.156 10.282 3.985 1.00 0.00 N ATOM 952 CA GLY A 60 0.253 10.617 3.898 1.00 0.00 C ATOM 953 C GLY A 60 0.711 10.807 2.465 1.00 0.00 C ATOM 954 O GLY A 60 1.775 11.373 2.215 1.00 0.00 O ATOM 0 H GLY A 60 -1.353 9.294 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.443 11.530 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.842 9.827 4.364 1.00 0.00 H new ATOM 958 N TYR A 61 -0.098 10.329 1.522 1.00 0.00 N ATOM 959 CA TYR A 61 0.222 10.449 0.104 1.00 0.00 C ATOM 960 C TYR A 61 0.351 11.912 -0.309 1.00 0.00 C ATOM 961 O TYR A 61 1.452 12.393 -0.580 1.00 0.00 O ATOM 962 CB TYR A 61 -0.851 9.754 -0.740 1.00 0.00 C ATOM 963 CG TYR A 61 -0.709 9.988 -2.227 1.00 0.00 C ATOM 964 CD1 TYR A 61 0.448 9.620 -2.904 1.00 0.00 C ATOM 965 CD2 TYR A 61 -1.734 10.577 -2.956 1.00 0.00 C ATOM 966 CE1 TYR A 61 0.578 9.834 -4.262 1.00 0.00 C ATOM 967 CE2 TYR A 61 -1.612 10.793 -4.314 1.00 0.00 C ATOM 968 CZ TYR A 61 -0.454 10.421 -4.963 1.00 0.00 C ATOM 969 OH TYR A 61 -0.329 10.636 -6.317 1.00 0.00 O ATOM 0 H TYR A 61 -0.980 9.855 1.716 1.00 0.00 H new ATOM 0 HA TYR A 61 1.182 9.963 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.814 8.682 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.833 10.102 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.259 9.159 -2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.643 10.871 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.484 9.543 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.420 11.251 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.146 11.057 -6.658 1.00 0.00 H new ATOM 979 N GLY A 62 -0.776 12.617 -0.355 1.00 0.00 N ATOM 980 CA GLY A 62 -0.756 14.017 -0.741 1.00 0.00 C ATOM 981 C GLY A 62 -2.053 14.736 -0.425 1.00 0.00 C ATOM 982 O GLY A 62 -2.138 15.957 -0.552 1.00 0.00 O ATOM 0 H GLY A 62 -1.700 12.245 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.065 14.518 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.557 14.091 -1.810 1.00 0.00 H new ATOM 986 N PHE A 63 -3.066 13.980 -0.013 1.00 0.00 N ATOM 987 CA PHE A 63 -4.363 14.560 0.321 1.00 0.00 C ATOM 988 C PHE A 63 -5.056 13.752 1.415 1.00 0.00 C ATOM 989 O PHE A 63 -5.043 12.522 1.395 1.00 0.00 O ATOM 990 CB PHE A 63 -5.249 14.629 -0.926 1.00 0.00 C ATOM 991 CG PHE A 63 -6.531 15.387 -0.721 1.00 0.00 C ATOM 992 CD1 PHE A 63 -6.534 16.773 -0.697 1.00 0.00 C ATOM 993 CD2 PHE A 63 -7.732 14.715 -0.554 1.00 0.00 C ATOM 994 CE1 PHE A 63 -7.711 17.474 -0.511 1.00 0.00 C ATOM 995 CE2 PHE A 63 -8.912 15.411 -0.368 1.00 0.00 C ATOM 996 CZ PHE A 63 -8.901 16.792 -0.347 1.00 0.00 C ATOM 0 H PHE A 63 -3.015 12.967 0.097 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.198 15.570 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.687 15.097 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.485 13.615 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.606 17.311 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.746 13.635 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.700 18.554 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.841 14.876 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.822 17.338 -0.203 1.00 0.00 H new ATOM 1006 N GLU A 64 -5.657 14.456 2.369 1.00 0.00 N ATOM 1007 CA GLU A 64 -6.355 13.812 3.478 1.00 0.00 C ATOM 1008 C GLU A 64 -7.553 13.006 2.979 1.00 0.00 C ATOM 1009 O GLU A 64 -7.723 12.805 1.778 1.00 0.00 O ATOM 1010 CB GLU A 64 -6.821 14.865 4.487 1.00 0.00 C ATOM 1011 CG GLU A 64 -5.705 15.773 4.980 1.00 0.00 C ATOM 1012 CD GLU A 64 -4.601 15.012 5.686 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -4.726 14.783 6.907 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -3.611 14.646 5.018 1.00 0.00 O ATOM 0 H GLU A 64 -5.675 15.475 2.397 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.660 13.127 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.599 15.476 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.273 14.362 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.283 16.316 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.121 16.516 5.660 1.00 0.00 H new ATOM 1021 N VAL A 65 -8.380 12.541 3.913 1.00 0.00 N ATOM 1022 CA VAL A 65 -9.561 11.760 3.566 1.00 0.00 C ATOM 1023 C VAL A 65 -10.797 12.281 4.298 1.00 0.00 C ATOM 1024 O VAL A 65 -11.242 11.689 5.282 1.00 0.00 O ATOM 1025 CB VAL A 65 -9.371 10.266 3.894 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -10.530 9.446 3.347 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -8.045 9.763 3.344 1.00 0.00 C ATOM 0 H VAL A 65 -8.253 12.692 4.914 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.705 11.867 2.491 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.356 10.150 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.377 8.394 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.462 9.790 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.582 9.566 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.928 8.706 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.027 9.892 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.228 10.329 3.790 1.00 0.00 H new