USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot 71:sc= -2.37! USER MOD Set 1.2: A 133 GLN : amide:sc=-0.00674 K(o=-2.4,f=-3) USER MOD Set 2.1: A 73 THR OG1 : rot -102:sc= 0.056 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 THR OG1 : rot -38:sc= 0.00426 USER MOD Set 3.2: A 60 GLN : amide:sc= -2.14 K(o=-2.1,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.77! K(o=-2.8!,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -1.03 (180deg=-1.94!) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.59) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 82 MET CE :methyl -167:sc= -0.986 (180deg=-1.54!) USER MOD Single : A 86 ASN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc=-0.00721 (180deg=-0.107) USER MOD Single : A 99 CYS SG : rot -34:sc= 0.316 USER MOD Single : A 100 MET CE :methyl 152:sc= 0 (180deg=-0.149) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 116:sc= 0.0598 USER MOD Single : A 128 HIS : no HD1:sc= -0.085 X(o=-0.085,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 7.067 -7.223 7.103 1.00 0.00 N ATOM 414 CA GLY A 55 7.490 -7.825 5.846 1.00 0.00 C ATOM 415 C GLY A 55 7.938 -6.791 4.822 1.00 0.00 C ATOM 416 O GLY A 55 8.698 -7.108 3.905 1.00 0.00 O ATOM 0 HA2 GLY A 55 8.308 -8.519 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.667 -8.408 5.432 1.00 0.00 H new ATOM 420 N PHE A 56 7.467 -5.551 4.983 1.00 0.00 N ATOM 421 CA PHE A 56 7.823 -4.470 4.069 1.00 0.00 C ATOM 422 C PHE A 56 9.167 -3.856 4.453 1.00 0.00 C ATOM 423 O PHE A 56 10.044 -3.704 3.607 1.00 0.00 O ATOM 424 CB PHE A 56 6.744 -3.383 4.041 1.00 0.00 C ATOM 425 CG PHE A 56 7.059 -2.271 3.077 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.377 -2.553 1.757 1.00 0.00 C ATOM 427 CD2 PHE A 56 7.051 -0.949 3.492 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.680 -1.538 0.871 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.351 0.070 2.609 1.00 0.00 C ATOM 430 CZ PHE A 56 7.667 -0.226 1.296 1.00 0.00 C ATOM 0 H PHE A 56 6.839 -5.274 5.738 1.00 0.00 H new ATOM 0 HA PHE A 56 7.902 -4.901 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.789 -3.833 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.628 -2.967 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.388 -3.578 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.807 -0.713 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.927 -1.771 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.339 1.097 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.903 0.569 0.604 1.00 0.00 H new ATOM 440 N THR A 57 9.314 -3.500 5.730 1.00 0.00 N ATOM 441 CA THR A 57 10.553 -2.907 6.234 1.00 0.00 C ATOM 442 C THR A 57 11.758 -3.801 5.946 1.00 0.00 C ATOM 443 O THR A 57 12.820 -3.303 5.576 1.00 0.00 O ATOM 444 CB THR A 57 10.477 -2.617 7.746 1.00 0.00 C ATOM 445 OG1 THR A 57 9.306 -1.845 8.044 1.00 0.00 O ATOM 446 CG2 THR A 57 11.715 -1.867 8.209 1.00 0.00 C ATOM 0 H THR A 57 8.587 -3.613 6.436 1.00 0.00 H new ATOM 0 HA THR A 57 10.680 -1.962 5.706 1.00 0.00 H new ATOM 0 HB THR A 57 10.424 -3.569 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.158 -1.187 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.643 -1.671 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.601 -2.469 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.790 -0.922 7.672 1.00 0.00 H new ATOM 454 N LYS A 58 11.591 -5.113 6.112 1.00 0.00 N ATOM 455 CA LYS A 58 12.675 -6.061 5.845 1.00 0.00 C ATOM 456 C LYS A 58 13.046 -6.060 4.361 1.00 0.00 C ATOM 457 O LYS A 58 14.174 -6.394 3.994 1.00 0.00 O ATOM 458 CB LYS A 58 12.275 -7.475 6.280 1.00 0.00 C ATOM 459 CG LYS A 58 12.099 -7.629 7.784 1.00 0.00 C ATOM 460 CD LYS A 58 13.384 -7.324 8.540 1.00 0.00 C ATOM 461 CE LYS A 58 14.497 -8.296 8.179 1.00 0.00 C ATOM 462 NZ LYS A 58 15.758 -7.993 8.911 1.00 0.00 N ATOM 0 H LYS A 58 10.722 -5.543 6.428 1.00 0.00 H new ATOM 0 HA LYS A 58 13.544 -5.746 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.343 -7.747 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.034 -8.178 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.309 -6.961 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.778 -8.646 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.704 -6.306 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.194 -7.371 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.179 -9.313 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.681 -8.254 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.491 -8.678 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.075 -7.032 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.589 -8.058 9.935 1.00 0.00 H new ATOM 476 N GLU A 59 12.088 -5.676 3.518 1.00 0.00 N ATOM 477 CA GLU A 59 12.295 -5.617 2.077 1.00 0.00 C ATOM 478 C GLU A 59 12.860 -4.257 1.668 1.00 0.00 C ATOM 479 O GLU A 59 13.837 -4.184 0.919 1.00 0.00 O ATOM 480 CB GLU A 59 10.970 -5.884 1.354 1.00 0.00 C ATOM 481 CG GLU A 59 11.016 -5.632 -0.146 1.00 0.00 C ATOM 482 CD GLU A 59 10.424 -4.287 -0.531 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.187 -4.204 -0.688 1.00 0.00 O ATOM 484 OE2 GLU A 59 11.196 -3.317 -0.676 1.00 0.00 O ATOM 0 H GLU A 59 11.152 -5.399 3.816 1.00 0.00 H new ATOM 0 HA GLU A 59 13.017 -6.383 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.676 -6.919 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.196 -5.255 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.050 -5.681 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.473 -6.425 -0.661 1.00 0.00 H new ATOM 491 N GLN A 60 12.241 -3.185 2.166 1.00 0.00 N ATOM 492 CA GLN A 60 12.674 -1.825 1.849 1.00 0.00 C ATOM 493 C GLN A 60 14.063 -1.518 2.414 1.00 0.00 C ATOM 494 O GLN A 60 14.760 -0.651 1.895 1.00 0.00 O ATOM 495 CB GLN A 60 11.654 -0.802 2.360 1.00 0.00 C ATOM 496 CG GLN A 60 11.427 -0.851 3.861 1.00 0.00 C ATOM 497 CD GLN A 60 10.400 0.164 4.348 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.659 -0.097 5.295 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.354 1.334 3.715 1.00 0.00 N ATOM 0 H GLN A 60 11.437 -3.234 2.792 1.00 0.00 H new ATOM 0 HA GLN A 60 12.738 -1.752 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.990 0.198 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.703 -0.969 1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.098 -1.852 4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.374 -0.673 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.984 1.516 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.689 2.048 4.011 1.00 0.00 H new ATOM 508 N GLN A 61 14.467 -2.221 3.479 1.00 0.00 N ATOM 509 CA GLN A 61 15.790 -2.000 4.071 1.00 0.00 C ATOM 510 C GLN A 61 16.871 -2.722 3.264 1.00 0.00 C ATOM 511 O GLN A 61 18.012 -2.261 3.197 1.00 0.00 O ATOM 512 CB GLN A 61 15.827 -2.447 5.536 1.00 0.00 C ATOM 513 CG GLN A 61 15.752 -3.954 5.732 1.00 0.00 C ATOM 514 CD GLN A 61 15.909 -4.355 7.187 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.014 -4.644 7.647 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.804 -4.363 7.924 1.00 0.00 N ATOM 0 H GLN A 61 13.906 -2.937 3.942 1.00 0.00 H new ATOM 0 HA GLN A 61 15.991 -0.929 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.745 -2.078 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.997 -1.981 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.796 -4.319 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.531 -4.434 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.908 -4.117 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.851 -4.615 8.911 1.00 0.00 H new ATOM 525 N ARG A 62 16.507 -3.850 2.655 1.00 0.00 N ATOM 526 CA ARG A 62 17.438 -4.620 1.832 1.00 0.00 C ATOM 527 C ARG A 62 17.808 -3.847 0.561 1.00 0.00 C ATOM 528 O ARG A 62 18.916 -3.985 0.040 1.00 0.00 O ATOM 529 CB ARG A 62 16.815 -5.968 1.456 1.00 0.00 C ATOM 530 CG ARG A 62 17.781 -6.926 0.775 1.00 0.00 C ATOM 531 CD ARG A 62 18.914 -7.335 1.705 1.00 0.00 C ATOM 532 NE ARG A 62 19.822 -8.297 1.079 1.00 0.00 N ATOM 533 CZ ARG A 62 20.883 -8.831 1.691 1.00 0.00 C ATOM 534 NH1 ARG A 62 21.174 -8.504 2.948 1.00 0.00 N ATOM 535 NH2 ARG A 62 21.656 -9.695 1.042 1.00 0.00 N ATOM 0 H ARG A 62 15.571 -4.251 2.717 1.00 0.00 H new ATOM 0 HA ARG A 62 18.346 -4.791 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.425 -6.441 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.966 -5.793 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.242 -7.814 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.194 -6.454 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 62 19.475 -6.449 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.497 -7.769 2.614 1.00 0.00 H new ATOM 0 HE ARG A 62 19.633 -8.577 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 62 20.585 -7.841 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 62 21.986 -8.917 3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 62 21.439 -9.950 0.078 1.00 0.00 H new ATOM 0 HH22 ARG A 62 22.466 -10.104 1.507 1.00 0.00 H new ATOM 549 N LEU A 63 16.867 -3.031 0.076 1.00 0.00 N ATOM 550 CA LEU A 63 17.060 -2.232 -1.135 1.00 0.00 C ATOM 551 C LEU A 63 17.416 -0.776 -0.814 1.00 0.00 C ATOM 552 O LEU A 63 18.132 -0.129 -1.582 1.00 0.00 O ATOM 553 CB LEU A 63 15.784 -2.274 -1.979 1.00 0.00 C ATOM 554 CG LEU A 63 15.409 -3.661 -2.508 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.899 -3.816 -2.580 1.00 0.00 C ATOM 556 CD2 LEU A 63 16.039 -3.898 -3.872 1.00 0.00 C ATOM 0 H LEU A 63 15.953 -2.907 0.511 1.00 0.00 H new ATOM 0 HA LEU A 63 17.896 -2.661 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.957 -1.893 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.903 -1.598 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 63 15.795 -4.410 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.653 -4.808 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.473 -3.691 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.487 -3.060 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.762 -4.888 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.683 -3.143 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.124 -3.832 -3.788 1.00 0.00 H new ATOM 568 N GLY A 64 16.918 -0.263 0.313 1.00 0.00 N ATOM 569 CA GLY A 64 17.195 1.116 0.696 1.00 0.00 C ATOM 570 C GLY A 64 15.962 2.015 0.638 1.00 0.00 C ATOM 571 O GLY A 64 16.045 3.200 0.963 1.00 0.00 O ATOM 0 H GLY A 64 16.328 -0.777 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.600 1.131 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.964 1.522 0.038 1.00 0.00 H new ATOM 575 N ILE A 65 14.822 1.451 0.222 1.00 0.00 N ATOM 576 CA ILE A 65 13.571 2.204 0.128 1.00 0.00 C ATOM 577 C ILE A 65 13.161 2.755 1.499 1.00 0.00 C ATOM 578 O ILE A 65 13.107 2.012 2.480 1.00 0.00 O ATOM 579 CB ILE A 65 12.426 1.323 -0.426 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.822 0.707 -1.773 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.146 2.136 -0.569 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.930 -0.440 -2.201 1.00 0.00 C ATOM 0 H ILE A 65 14.743 0.473 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 65 13.745 3.033 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 65 12.244 0.515 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.796 1.482 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.851 0.353 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.352 1.499 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.852 2.526 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.317 2.966 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.270 -0.826 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.974 -1.233 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.903 -0.087 -2.294 1.00 0.00 H new ATOM 594 N PRO A 66 12.877 4.071 1.585 1.00 0.00 N ATOM 595 CA PRO A 66 12.470 4.712 2.841 1.00 0.00 C ATOM 596 C PRO A 66 10.998 4.462 3.176 1.00 0.00 C ATOM 597 O PRO A 66 10.266 3.865 2.383 1.00 0.00 O ATOM 598 CB PRO A 66 12.715 6.195 2.562 1.00 0.00 C ATOM 599 CG PRO A 66 12.511 6.341 1.094 1.00 0.00 C ATOM 600 CD PRO A 66 12.943 5.038 0.470 1.00 0.00 C ATOM 0 HA PRO A 66 13.019 4.325 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.023 6.823 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.722 6.492 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.466 6.552 0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.097 7.172 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.284 4.749 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.950 5.106 0.059 1.00 0.00 H new ATOM 608 N LYS A 67 10.568 4.923 4.353 1.00 0.00 N ATOM 609 CA LYS A 67 9.180 4.749 4.788 1.00 0.00 C ATOM 610 C LYS A 67 8.349 6.006 4.503 1.00 0.00 C ATOM 611 O LYS A 67 7.557 6.442 5.340 1.00 0.00 O ATOM 612 CB LYS A 67 9.123 4.397 6.281 1.00 0.00 C ATOM 613 CG LYS A 67 9.761 5.442 7.189 1.00 0.00 C ATOM 614 CD LYS A 67 9.607 5.078 8.660 1.00 0.00 C ATOM 615 CE LYS A 67 10.749 4.197 9.154 1.00 0.00 C ATOM 616 NZ LYS A 67 10.807 2.888 8.444 1.00 0.00 N ATOM 0 H LYS A 67 11.159 5.418 5.020 1.00 0.00 H new ATOM 0 HA LYS A 67 8.752 3.924 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.081 4.264 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.622 3.441 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.819 5.538 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.303 6.414 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.568 5.989 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.660 4.560 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.694 4.723 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.632 4.022 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.320 2.198 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.841 2.544 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.300 3.007 7.536 1.00 0.00 H new ATOM 630 N ASP A 68 8.534 6.574 3.310 1.00 0.00 N ATOM 631 CA ASP A 68 7.811 7.778 2.904 1.00 0.00 C ATOM 632 C ASP A 68 7.681 7.853 1.383 1.00 0.00 C ATOM 633 O ASP A 68 8.672 8.048 0.677 1.00 0.00 O ATOM 634 CB ASP A 68 8.517 9.031 3.428 1.00 0.00 C ATOM 635 CG ASP A 68 8.289 9.258 4.911 1.00 0.00 C ATOM 636 OD1 ASP A 68 7.189 9.723 5.279 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.210 8.971 5.704 1.00 0.00 O ATOM 0 H ASP A 68 9.181 6.217 2.607 1.00 0.00 H new ATOM 0 HA ASP A 68 6.811 7.727 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.587 8.946 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.164 9.900 2.874 1.00 0.00 H new ATOM 642 N PRO A 69 6.448 7.693 0.861 1.00 0.00 N ATOM 643 CA PRO A 69 6.176 7.750 -0.585 1.00 0.00 C ATOM 644 C PRO A 69 6.619 9.071 -1.211 1.00 0.00 C ATOM 645 O PRO A 69 7.087 9.093 -2.346 1.00 0.00 O ATOM 646 CB PRO A 69 4.654 7.593 -0.675 1.00 0.00 C ATOM 647 CG PRO A 69 4.266 6.928 0.599 1.00 0.00 C ATOM 648 CD PRO A 69 5.220 7.445 1.635 1.00 0.00 C ATOM 0 HA PRO A 69 6.726 6.982 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.162 8.560 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.368 6.992 -1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.235 7.162 0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.334 5.844 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.849 8.355 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.384 6.718 2.431 1.00 0.00 H new ATOM 656 N ARG A 70 6.462 10.172 -0.474 1.00 0.00 N ATOM 657 CA ARG A 70 6.871 11.490 -0.965 1.00 0.00 C ATOM 658 C ARG A 70 8.348 11.491 -1.380 1.00 0.00 C ATOM 659 O ARG A 70 8.718 12.123 -2.370 1.00 0.00 O ATOM 660 CB ARG A 70 6.612 12.559 0.104 1.00 0.00 C ATOM 661 CG ARG A 70 7.331 12.295 1.422 1.00 0.00 C ATOM 662 CD ARG A 70 6.433 12.563 2.621 1.00 0.00 C ATOM 663 NE ARG A 70 6.077 13.977 2.745 1.00 0.00 N ATOM 664 CZ ARG A 70 5.522 14.516 3.832 1.00 0.00 C ATOM 665 NH1 ARG A 70 5.251 13.764 4.897 1.00 0.00 N ATOM 666 NH2 ARG A 70 5.234 15.813 3.857 1.00 0.00 N ATOM 0 H ARG A 70 6.056 10.178 0.462 1.00 0.00 H new ATOM 0 HA ARG A 70 6.275 11.724 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.924 13.529 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.540 12.621 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.673 11.260 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.218 12.925 1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.524 11.969 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.938 12.237 3.530 1.00 0.00 H new ATOM 0 HE ARG A 70 6.265 14.589 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.468 12.767 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.827 14.185 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.437 16.396 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.810 16.225 4.688 1.00 0.00 H new ATOM 680 N GLN A 71 9.183 10.777 -0.620 1.00 0.00 N ATOM 681 CA GLN A 71 10.613 10.681 -0.919 1.00 0.00 C ATOM 682 C GLN A 71 10.942 9.364 -1.634 1.00 0.00 C ATOM 683 O GLN A 71 11.931 8.699 -1.316 1.00 0.00 O ATOM 684 CB GLN A 71 11.437 10.808 0.370 1.00 0.00 C ATOM 685 CG GLN A 71 11.198 9.683 1.366 1.00 0.00 C ATOM 686 CD GLN A 71 11.985 9.858 2.649 1.00 0.00 C ATOM 687 OE1 GLN A 71 13.126 9.408 2.758 1.00 0.00 O ATOM 688 NE2 GLN A 71 11.377 10.510 3.633 1.00 0.00 N ATOM 0 H GLN A 71 8.892 10.257 0.208 1.00 0.00 H new ATOM 0 HA GLN A 71 10.874 11.502 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.496 10.833 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.202 11.759 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.135 9.632 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.469 8.733 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.431 10.867 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.856 10.654 4.522 1.00 0.00 H new ATOM 697 N TRP A 72 10.112 9.003 -2.615 1.00 0.00 N ATOM 698 CA TRP A 72 10.308 7.775 -3.383 1.00 0.00 C ATOM 699 C TRP A 72 10.559 8.083 -4.856 1.00 0.00 C ATOM 700 O TRP A 72 10.392 9.223 -5.299 1.00 0.00 O ATOM 701 CB TRP A 72 9.073 6.878 -3.275 1.00 0.00 C ATOM 702 CG TRP A 72 9.088 5.939 -2.112 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.904 5.982 -1.020 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.233 4.809 -1.932 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.606 4.943 -0.171 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.583 4.209 -0.710 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.203 4.246 -2.691 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.939 3.073 -0.229 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.565 3.120 -2.212 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.935 2.545 -0.992 1.00 0.00 C ATOM 0 H TRP A 72 9.296 9.547 -2.896 1.00 0.00 H new ATOM 0 HA TRP A 72 11.178 7.265 -2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.187 7.509 -3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.980 6.298 -4.193 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.671 6.723 -0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.071 4.750 0.716 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.912 4.684 -3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.222 2.625 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.767 2.676 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.416 1.664 -0.645 1.00 0.00 H new ATOM 721 N THR A 73 10.962 7.062 -5.610 1.00 0.00 N ATOM 722 CA THR A 73 11.196 7.216 -7.040 1.00 0.00 C ATOM 723 C THR A 73 10.499 6.091 -7.813 1.00 0.00 C ATOM 724 O THR A 73 9.826 5.251 -7.213 1.00 0.00 O ATOM 725 CB THR A 73 12.705 7.248 -7.371 1.00 0.00 C ATOM 726 OG1 THR A 73 12.906 7.533 -8.762 1.00 0.00 O ATOM 727 CG2 THR A 73 13.369 5.921 -7.019 1.00 0.00 C ATOM 0 H THR A 73 11.132 6.122 -5.253 1.00 0.00 H new ATOM 0 HA THR A 73 10.774 8.173 -7.347 1.00 0.00 H new ATOM 0 HB THR A 73 13.162 8.036 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.122 6.704 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.431 5.970 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.249 5.725 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.903 5.118 -7.590 1.00 0.00 H new ATOM 735 N GLU A 74 10.659 6.071 -9.137 1.00 0.00 N ATOM 736 CA GLU A 74 10.024 5.051 -9.977 1.00 0.00 C ATOM 737 C GLU A 74 10.303 3.636 -9.465 1.00 0.00 C ATOM 738 O GLU A 74 9.396 2.805 -9.404 1.00 0.00 O ATOM 739 CB GLU A 74 10.496 5.181 -11.428 1.00 0.00 C ATOM 740 CG GLU A 74 10.152 6.520 -12.061 1.00 0.00 C ATOM 741 CD GLU A 74 10.479 6.571 -13.541 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.635 6.900 -13.883 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.579 6.283 -14.357 1.00 0.00 O ATOM 0 H GLU A 74 11.222 6.748 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 74 8.948 5.219 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.576 5.038 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.048 4.383 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.090 6.721 -11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.697 7.311 -11.546 1.00 0.00 H new ATOM 750 N THR A 75 11.557 3.369 -9.096 1.00 0.00 N ATOM 751 CA THR A 75 11.947 2.053 -8.595 1.00 0.00 C ATOM 752 C THR A 75 11.233 1.714 -7.285 1.00 0.00 C ATOM 753 O THR A 75 10.679 0.627 -7.140 1.00 0.00 O ATOM 754 CB THR A 75 13.471 1.960 -8.378 1.00 0.00 C ATOM 755 OG1 THR A 75 14.163 2.351 -9.570 1.00 0.00 O ATOM 756 CG2 THR A 75 13.885 0.547 -7.991 1.00 0.00 C ATOM 0 H THR A 75 12.318 4.047 -9.135 1.00 0.00 H new ATOM 0 HA THR A 75 11.650 1.332 -9.357 1.00 0.00 H new ATOM 0 HB THR A 75 13.735 2.634 -7.564 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.130 2.290 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.965 0.511 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.384 0.261 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.604 -0.145 -8.785 1.00 0.00 H new ATOM 764 N HIS A 76 11.253 2.655 -6.336 1.00 0.00 N ATOM 765 CA HIS A 76 10.608 2.450 -5.034 1.00 0.00 C ATOM 766 C HIS A 76 9.107 2.214 -5.189 1.00 0.00 C ATOM 767 O HIS A 76 8.535 1.350 -4.524 1.00 0.00 O ATOM 768 CB HIS A 76 10.853 3.647 -4.110 1.00 0.00 C ATOM 769 CG HIS A 76 12.302 3.913 -3.831 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.740 4.995 -3.098 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.417 3.231 -4.192 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.059 4.968 -3.022 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.493 3.908 -3.678 1.00 0.00 N ATOM 0 H HIS A 76 11.706 3.562 -6.443 1.00 0.00 H new ATOM 0 HA HIS A 76 11.053 1.561 -4.587 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.410 4.536 -4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.337 3.476 -3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.451 2.323 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.677 5.691 -2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.470 3.636 -3.785 1.00 0.00 H new ATOM 782 N VAL A 77 8.476 2.993 -6.070 1.00 0.00 N ATOM 783 CA VAL A 77 7.043 2.872 -6.328 1.00 0.00 C ATOM 784 C VAL A 77 6.693 1.488 -6.870 1.00 0.00 C ATOM 785 O VAL A 77 5.819 0.803 -6.339 1.00 0.00 O ATOM 786 CB VAL A 77 6.571 3.943 -7.337 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.133 3.684 -7.775 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.703 5.332 -6.729 1.00 0.00 C ATOM 0 H VAL A 77 8.939 3.717 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 77 6.532 3.021 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 77 7.207 3.886 -8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.825 4.452 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.068 2.705 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.477 3.710 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.367 6.078 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.091 5.395 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.746 5.519 -6.472 1.00 0.00 H new ATOM 798 N ARG A 78 7.400 1.083 -7.928 1.00 0.00 N ATOM 799 CA ARG A 78 7.174 -0.210 -8.568 1.00 0.00 C ATOM 800 C ARG A 78 7.593 -1.365 -7.660 1.00 0.00 C ATOM 801 O ARG A 78 6.844 -2.330 -7.502 1.00 0.00 O ATOM 802 CB ARG A 78 7.935 -0.277 -9.895 1.00 0.00 C ATOM 803 CG ARG A 78 7.775 -1.596 -10.634 1.00 0.00 C ATOM 804 CD ARG A 78 9.117 -2.131 -11.101 1.00 0.00 C ATOM 805 NE ARG A 78 9.955 -2.568 -9.981 1.00 0.00 N ATOM 806 CZ ARG A 78 11.289 -2.638 -10.024 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.952 -2.312 -11.132 1.00 0.00 N ATOM 808 NH2 ARG A 78 11.963 -3.041 -8.951 1.00 0.00 N ATOM 0 H ARG A 78 8.138 1.638 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 78 6.106 -0.309 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.593 0.533 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.994 -0.106 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.297 -2.326 -9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.117 -1.457 -11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.957 -2.967 -11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.639 -1.358 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 78 9.491 -2.836 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.442 -2.005 -11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.970 -2.369 -11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.462 -3.295 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.981 -3.096 -8.979 1.00 0.00 H new ATOM 822 N ASP A 79 8.784 -1.269 -7.065 1.00 0.00 N ATOM 823 CA ASP A 79 9.276 -2.322 -6.178 1.00 0.00 C ATOM 824 C ASP A 79 8.292 -2.562 -5.033 1.00 0.00 C ATOM 825 O ASP A 79 8.010 -3.709 -4.679 1.00 0.00 O ATOM 826 CB ASP A 79 10.663 -1.970 -5.626 1.00 0.00 C ATOM 827 CG ASP A 79 11.276 -3.107 -4.829 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.951 -3.236 -3.631 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.083 -3.868 -5.405 1.00 0.00 O ATOM 0 H ASP A 79 9.420 -0.480 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 79 9.364 -3.240 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.325 -1.712 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.585 -1.087 -4.992 1.00 0.00 H new ATOM 834 N TRP A 80 7.774 -1.472 -4.457 1.00 0.00 N ATOM 835 CA TRP A 80 6.808 -1.579 -3.369 1.00 0.00 C ATOM 836 C TRP A 80 5.540 -2.261 -3.880 1.00 0.00 C ATOM 837 O TRP A 80 5.166 -3.325 -3.389 1.00 0.00 O ATOM 838 CB TRP A 80 6.487 -0.202 -2.769 1.00 0.00 C ATOM 839 CG TRP A 80 5.171 -0.159 -2.049 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.875 -0.719 -0.840 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.967 0.468 -2.506 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.563 -0.479 -0.518 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.984 0.248 -1.525 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.628 1.196 -3.649 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.684 0.728 -1.654 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.337 1.671 -3.776 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.380 1.436 -2.785 1.00 0.00 C ATOM 0 H TRP A 80 8.007 -0.516 -4.726 1.00 0.00 H new ATOM 0 HA TRP A 80 7.243 -2.183 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.281 0.079 -2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.481 0.541 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.572 -1.271 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.095 -0.791 0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.362 1.384 -4.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.942 0.548 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.063 2.234 -4.656 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.379 1.821 -2.914 1.00 0.00 H new ATOM 858 N VAL A 81 4.871 -1.619 -4.849 1.00 0.00 N ATOM 859 CA VAL A 81 3.665 -2.177 -5.468 1.00 0.00 C ATOM 860 C VAL A 81 3.808 -3.684 -5.682 1.00 0.00 C ATOM 861 O VAL A 81 2.951 -4.461 -5.267 1.00 0.00 O ATOM 862 CB VAL A 81 3.366 -1.498 -6.827 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.309 -2.268 -7.608 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.924 -0.059 -6.621 1.00 0.00 C ATOM 0 H VAL A 81 5.148 -0.710 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 81 2.837 -1.986 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 81 4.287 -1.502 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.121 -1.767 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.663 -3.282 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.386 -2.308 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.719 0.401 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.021 -0.040 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.715 0.496 -6.116 1.00 0.00 H new ATOM 874 N MET A 82 4.909 -4.080 -6.323 1.00 0.00 N ATOM 875 CA MET A 82 5.191 -5.488 -6.598 1.00 0.00 C ATOM 876 C MET A 82 5.122 -6.325 -5.320 1.00 0.00 C ATOM 877 O MET A 82 4.462 -7.365 -5.284 1.00 0.00 O ATOM 878 CB MET A 82 6.574 -5.623 -7.241 1.00 0.00 C ATOM 879 CG MET A 82 6.797 -6.948 -7.951 1.00 0.00 C ATOM 880 SD MET A 82 8.239 -6.918 -9.035 1.00 0.00 S ATOM 881 CE MET A 82 7.806 -5.571 -10.136 1.00 0.00 C ATOM 0 H MET A 82 5.625 -3.438 -6.664 1.00 0.00 H new ATOM 0 HA MET A 82 4.433 -5.861 -7.286 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.712 -4.812 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.335 -5.502 -6.470 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.920 -7.737 -7.210 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.912 -7.196 -8.536 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.475 -5.575 -10.996 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.778 -5.695 -10.476 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.901 -4.623 -9.606 1.00 0.00 H new ATOM 891 N TRP A 83 5.813 -5.861 -4.278 1.00 0.00 N ATOM 892 CA TRP A 83 5.830 -6.551 -2.987 1.00 0.00 C ATOM 893 C TRP A 83 4.423 -6.617 -2.383 1.00 0.00 C ATOM 894 O TRP A 83 4.015 -7.656 -1.863 1.00 0.00 O ATOM 895 CB TRP A 83 6.790 -5.840 -2.024 1.00 0.00 C ATOM 896 CG TRP A 83 6.785 -6.412 -0.638 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.606 -7.387 -0.149 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.915 -6.043 0.437 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.298 -7.649 1.164 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.262 -6.836 1.546 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.874 -5.118 0.569 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.605 -6.731 2.769 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.224 -5.016 1.784 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.591 -5.819 2.870 1.00 0.00 C ATOM 0 H TRP A 83 6.370 -5.007 -4.303 1.00 0.00 H new ATOM 0 HA TRP A 83 6.178 -7.571 -3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.801 -5.895 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.524 -4.784 -1.973 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.384 -7.880 -0.712 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.764 -8.336 1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.584 -4.495 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.886 -7.349 3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.419 -4.305 1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 83 4.063 -5.716 3.806 1.00 0.00 H new ATOM 915 N ALA A 84 3.685 -5.507 -2.467 1.00 0.00 N ATOM 916 CA ALA A 84 2.324 -5.436 -1.931 1.00 0.00 C ATOM 917 C ALA A 84 1.363 -6.326 -2.728 1.00 0.00 C ATOM 918 O ALA A 84 0.304 -6.713 -2.228 1.00 0.00 O ATOM 919 CB ALA A 84 1.833 -3.996 -1.925 1.00 0.00 C ATOM 0 H ALA A 84 4.009 -4.643 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 84 2.347 -5.805 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.820 -3.959 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.492 -3.390 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.835 -3.607 -2.943 1.00 0.00 H new ATOM 925 N VAL A 85 1.749 -6.654 -3.964 1.00 0.00 N ATOM 926 CA VAL A 85 0.939 -7.502 -4.830 1.00 0.00 C ATOM 927 C VAL A 85 1.170 -8.976 -4.497 1.00 0.00 C ATOM 928 O VAL A 85 0.268 -9.801 -4.635 1.00 0.00 O ATOM 929 CB VAL A 85 1.261 -7.247 -6.321 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.610 -8.297 -7.211 1.00 0.00 C ATOM 931 CG2 VAL A 85 0.811 -5.851 -6.730 1.00 0.00 C ATOM 0 H VAL A 85 2.623 -6.341 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.108 -7.253 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 85 2.341 -7.319 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.854 -8.092 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.981 -9.285 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.471 -8.266 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.045 -5.687 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.264 -5.756 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.330 -5.109 -6.123 1.00 0.00 H new ATOM 941 N ASN A 86 2.390 -9.298 -4.059 1.00 0.00 N ATOM 942 CA ASN A 86 2.746 -10.666 -3.690 1.00 0.00 C ATOM 943 C ASN A 86 2.214 -11.013 -2.296 1.00 0.00 C ATOM 944 O ASN A 86 1.786 -12.143 -2.052 1.00 0.00 O ATOM 945 CB ASN A 86 4.269 -10.845 -3.732 1.00 0.00 C ATOM 946 CG ASN A 86 4.702 -12.263 -3.406 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.803 -13.111 -4.293 1.00 0.00 O ATOM 948 ND2 ASN A 86 4.962 -12.529 -2.129 1.00 0.00 N ATOM 0 H ASN A 86 3.149 -8.625 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 86 2.287 -11.344 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.635 -10.577 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.731 -10.157 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.258 -13.465 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.866 -11.797 -1.426 1.00 0.00 H new ATOM 955 N GLU A 87 2.241 -10.032 -1.387 1.00 0.00 N ATOM 956 CA GLU A 87 1.764 -10.233 -0.017 1.00 0.00 C ATOM 957 C GLU A 87 0.242 -10.349 0.030 1.00 0.00 C ATOM 958 O GLU A 87 -0.301 -11.165 0.778 1.00 0.00 O ATOM 959 CB GLU A 87 2.220 -9.080 0.883 1.00 0.00 C ATOM 960 CG GLU A 87 3.731 -8.913 0.953 1.00 0.00 C ATOM 961 CD GLU A 87 4.428 -10.102 1.584 1.00 0.00 C ATOM 962 OE1 GLU A 87 4.767 -11.052 0.847 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.634 -10.082 2.815 1.00 0.00 O ATOM 0 H GLU A 87 2.588 -9.092 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 87 2.192 -11.167 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.778 -8.152 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.835 -9.244 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.122 -8.761 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.966 -8.015 1.525 1.00 0.00 H new ATOM 970 N PHE A 88 -0.443 -9.530 -0.772 1.00 0.00 N ATOM 971 CA PHE A 88 -1.904 -9.542 -0.818 1.00 0.00 C ATOM 972 C PHE A 88 -2.433 -10.310 -2.035 1.00 0.00 C ATOM 973 O PHE A 88 -3.644 -10.344 -2.265 1.00 0.00 O ATOM 974 CB PHE A 88 -2.445 -8.108 -0.843 1.00 0.00 C ATOM 975 CG PHE A 88 -2.292 -7.381 0.463 1.00 0.00 C ATOM 976 CD1 PHE A 88 -1.085 -6.795 0.811 1.00 0.00 C ATOM 977 CD2 PHE A 88 -3.359 -7.281 1.341 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.945 -6.124 2.011 1.00 0.00 C ATOM 979 CE2 PHE A 88 -3.225 -6.612 2.543 1.00 0.00 C ATOM 980 CZ PHE A 88 -2.017 -6.033 2.878 1.00 0.00 C ATOM 0 H PHE A 88 -0.008 -8.851 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.252 -10.053 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.929 -7.548 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.501 -8.132 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.244 -6.864 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.306 -7.731 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.001 -5.672 2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.064 -6.542 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.910 -5.510 3.817 1.00 0.00 H new ATOM 990 N SER A 89 -1.527 -10.939 -2.802 1.00 0.00 N ATOM 991 CA SER A 89 -1.910 -11.689 -4.001 1.00 0.00 C ATOM 992 C SER A 89 -2.916 -10.894 -4.836 1.00 0.00 C ATOM 993 O SER A 89 -4.006 -11.380 -5.150 1.00 0.00 O ATOM 994 CB SER A 89 -2.483 -13.056 -3.616 1.00 0.00 C ATOM 995 OG SER A 89 -1.525 -13.833 -2.917 1.00 0.00 O ATOM 0 H SER A 89 -0.525 -10.941 -2.610 1.00 0.00 H new ATOM 0 HA SER A 89 -1.019 -11.850 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.369 -12.921 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.801 -13.586 -4.514 1.00 0.00 H new ATOM 0 HG SER A 89 -1.916 -14.700 -2.681 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.535 -9.666 -5.193 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.400 -8.790 -5.975 1.00 0.00 C ATOM 1003 C LEU A 90 -3.426 -9.217 -7.441 1.00 0.00 C ATOM 1004 O LEU A 90 -2.454 -9.783 -7.948 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.933 -7.336 -5.841 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.948 -6.778 -4.414 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.324 -5.390 -4.371 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.369 -6.744 -3.868 1.00 0.00 C ATOM 0 H LEU A 90 -1.632 -9.258 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.416 -8.869 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.919 -7.258 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.567 -6.708 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.353 -7.438 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.345 -5.013 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.292 -5.444 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.888 -4.717 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.360 -6.345 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.987 -6.109 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.779 -7.754 -3.857 1.00 0.00 H new ATOM 1020 N LYS A 91 -4.539 -8.941 -8.118 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.695 -9.313 -9.524 1.00 0.00 C ATOM 1022 C LYS A 91 -5.187 -8.136 -10.367 1.00 0.00 C ATOM 1023 O LYS A 91 -6.003 -7.330 -9.915 1.00 0.00 O ATOM 1024 CB LYS A 91 -5.664 -10.497 -9.661 1.00 0.00 C ATOM 1025 CG LYS A 91 -7.070 -10.219 -9.142 1.00 0.00 C ATOM 1026 CD LYS A 91 -7.170 -10.425 -7.638 1.00 0.00 C ATOM 1027 CE LYS A 91 -8.479 -9.880 -7.087 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.545 -9.982 -5.602 1.00 0.00 N ATOM 0 H LYS A 91 -5.345 -8.462 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.714 -9.607 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.726 -10.781 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.253 -11.352 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.352 -9.195 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.780 -10.875 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.092 -11.488 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.333 -9.931 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.591 -8.837 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.313 -10.428 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.453 -9.600 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.464 -10.979 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.765 -9.438 -5.182 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.678 -8.049 -11.598 1.00 0.00 N ATOM 1043 CA GLY A 92 -5.069 -6.976 -12.501 1.00 0.00 C ATOM 1044 C GLY A 92 -4.257 -5.701 -12.317 1.00 0.00 C ATOM 1045 O GLY A 92 -4.479 -4.721 -13.031 1.00 0.00 O ATOM 0 H GLY A 92 -4.000 -8.705 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.962 -7.320 -13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.124 -6.750 -12.349 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.313 -5.707 -11.371 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.482 -4.535 -11.108 1.00 0.00 C ATOM 1051 C VAL A 93 -1.431 -4.347 -12.202 1.00 0.00 C ATOM 1052 O VAL A 93 -0.744 -5.298 -12.586 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.785 -4.635 -9.732 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.785 -5.782 -9.709 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.108 -3.318 -9.374 1.00 0.00 C ATOM 0 H VAL A 93 -3.108 -6.510 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.144 -3.669 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.548 -4.841 -8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.309 -5.830 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.303 -6.720 -9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.026 -5.618 -10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.624 -3.410 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.361 -3.076 -10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.854 -2.525 -9.334 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.316 -3.119 -12.703 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.352 -2.803 -13.755 1.00 0.00 C ATOM 1067 C ASP A 94 0.793 -1.947 -13.212 1.00 0.00 C ATOM 1068 O ASP A 94 0.567 -1.003 -12.451 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.055 -2.075 -14.904 1.00 0.00 C ATOM 1070 CG ASP A 94 -0.229 -2.060 -16.175 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -0.215 -3.084 -16.888 1.00 0.00 O ATOM 1072 OD2 ASP A 94 0.400 -1.023 -16.457 1.00 0.00 O ATOM 0 H ASP A 94 -1.879 -2.325 -12.397 1.00 0.00 H new ATOM 0 HA ASP A 94 0.070 -3.737 -14.125 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.013 -2.556 -15.103 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.270 -1.050 -14.602 1.00 0.00 H new ATOM 1077 N PHE A 95 2.020 -2.284 -13.614 1.00 0.00 N ATOM 1078 CA PHE A 95 3.208 -1.551 -13.171 1.00 0.00 C ATOM 1079 C PHE A 95 3.511 -0.369 -14.094 1.00 0.00 C ATOM 1080 O PHE A 95 4.071 0.634 -13.651 1.00 0.00 O ATOM 1081 CB PHE A 95 4.419 -2.483 -13.083 1.00 0.00 C ATOM 1082 CG PHE A 95 4.287 -3.543 -12.024 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.567 -3.254 -10.698 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.881 -4.826 -12.355 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.446 -4.225 -9.723 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.759 -5.802 -11.384 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.042 -5.500 -10.066 1.00 0.00 C ATOM 0 H PHE A 95 2.217 -3.060 -14.246 1.00 0.00 H new ATOM 0 HA PHE A 95 2.999 -1.156 -12.177 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.568 -2.964 -14.050 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.310 -1.889 -12.882 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.883 -2.258 -10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.657 -5.066 -13.384 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.667 -3.987 -8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.443 -6.799 -11.655 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.947 -6.260 -9.305 1.00 0.00 H new ATOM 1097 N GLN A 96 3.147 -0.490 -15.375 1.00 0.00 N ATOM 1098 CA GLN A 96 3.360 0.593 -16.335 1.00 0.00 C ATOM 1099 C GLN A 96 2.607 1.848 -15.884 1.00 0.00 C ATOM 1100 O GLN A 96 3.065 2.971 -16.101 1.00 0.00 O ATOM 1101 CB GLN A 96 2.897 0.173 -17.733 1.00 0.00 C ATOM 1102 CG GLN A 96 3.331 1.129 -18.830 1.00 0.00 C ATOM 1103 CD GLN A 96 2.780 0.746 -20.190 1.00 0.00 C ATOM 1104 OE1 GLN A 96 3.414 0.006 -20.943 1.00 0.00 O ATOM 1105 NE2 GLN A 96 1.590 1.245 -20.512 1.00 0.00 N ATOM 0 H GLN A 96 2.706 -1.322 -15.767 1.00 0.00 H new ATOM 0 HA GLN A 96 4.426 0.814 -16.378 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.288 -0.820 -17.953 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.810 0.096 -17.739 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.001 2.137 -18.579 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.420 1.152 -18.877 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.099 1.854 -19.858 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.169 1.018 -21.413 1.00 0.00 H new ATOM 1114 N LYS A 97 1.449 1.639 -15.249 1.00 0.00 N ATOM 1115 CA LYS A 97 0.627 2.730 -14.731 1.00 0.00 C ATOM 1116 C LYS A 97 1.340 3.455 -13.587 1.00 0.00 C ATOM 1117 O LYS A 97 1.232 4.675 -13.457 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.716 2.185 -14.232 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.544 1.508 -15.315 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.876 2.466 -16.449 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.643 1.771 -17.565 1.00 0.00 C ATOM 1122 NZ LYS A 97 -1.805 0.766 -18.279 1.00 0.00 N ATOM 0 H LYS A 97 1.059 0.711 -15.082 1.00 0.00 H new ATOM 0 HA LYS A 97 0.455 3.439 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.532 1.472 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.294 3.004 -13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.997 0.652 -15.710 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.467 1.124 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.467 3.296 -16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.955 2.890 -16.849 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.522 1.279 -17.149 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.001 2.515 -18.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.297 0.453 -19.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.893 1.195 -18.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.639 -0.052 -17.658 1.00 0.00 H new ATOM 1136 N PHE A 98 2.069 2.695 -12.763 1.00 0.00 N ATOM 1137 CA PHE A 98 2.800 3.264 -11.631 1.00 0.00 C ATOM 1138 C PHE A 98 4.273 3.498 -11.983 1.00 0.00 C ATOM 1139 O PHE A 98 5.153 3.355 -11.129 1.00 0.00 O ATOM 1140 CB PHE A 98 2.695 2.346 -10.407 1.00 0.00 C ATOM 1141 CG PHE A 98 1.285 2.099 -9.949 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.442 3.157 -9.650 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.805 0.805 -9.814 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.854 2.930 -9.226 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.489 0.574 -9.390 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.320 1.638 -9.097 1.00 0.00 C ATOM 0 H PHE A 98 2.167 1.684 -12.861 1.00 0.00 H new ATOM 0 HA PHE A 98 2.347 4.227 -11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.163 1.390 -10.641 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.261 2.786 -9.586 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.801 4.171 -9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.450 -0.031 -10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.501 3.763 -8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.851 -0.438 -9.288 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.333 1.459 -8.768 1.00 0.00 H new ATOM 1156 N CYS A 99 4.539 3.865 -13.240 1.00 0.00 N ATOM 1157 CA CYS A 99 5.903 4.123 -13.692 1.00 0.00 C ATOM 1158 C CYS A 99 6.276 5.587 -13.452 1.00 0.00 C ATOM 1159 O CYS A 99 6.480 6.355 -14.395 1.00 0.00 O ATOM 1160 CB CYS A 99 6.048 3.765 -15.177 1.00 0.00 C ATOM 1161 SG CYS A 99 7.740 3.865 -15.803 1.00 0.00 S ATOM 0 H CYS A 99 3.827 3.989 -13.959 1.00 0.00 H new ATOM 0 HA CYS A 99 6.586 3.496 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.674 2.753 -15.333 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.416 4.432 -15.763 1.00 0.00 H new ATOM 0 HG CYS A 99 8.366 4.836 -15.208 1.00 0.00 H new ATOM 1167 N MET A 100 6.357 5.965 -12.176 1.00 0.00 N ATOM 1168 CA MET A 100 6.694 7.334 -11.792 1.00 0.00 C ATOM 1169 C MET A 100 7.232 7.379 -10.362 1.00 0.00 C ATOM 1170 O MET A 100 7.142 6.397 -9.623 1.00 0.00 O ATOM 1171 CB MET A 100 5.465 8.239 -11.921 1.00 0.00 C ATOM 1172 CG MET A 100 4.414 8.000 -10.845 1.00 0.00 C ATOM 1173 SD MET A 100 2.819 8.731 -11.254 1.00 0.00 S ATOM 1174 CE MET A 100 2.218 7.570 -12.479 1.00 0.00 C ATOM 0 H MET A 100 6.193 5.338 -11.388 1.00 0.00 H new ATOM 0 HA MET A 100 7.472 7.696 -12.464 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.785 9.280 -11.879 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.012 8.084 -12.900 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.290 6.927 -10.697 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.767 8.414 -9.900 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.128 7.562 -12.469 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.570 7.868 -13.467 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.590 6.572 -12.248 1.00 0.00 H new ATOM 1184 N SER A 101 7.783 8.530 -9.975 1.00 0.00 N ATOM 1185 CA SER A 101 8.334 8.703 -8.634 1.00 0.00 C ATOM 1186 C SER A 101 7.224 8.822 -7.591 1.00 0.00 C ATOM 1187 O SER A 101 6.093 9.193 -7.912 1.00 0.00 O ATOM 1188 CB SER A 101 9.243 9.935 -8.580 1.00 0.00 C ATOM 1189 OG SER A 101 10.351 9.792 -9.452 1.00 0.00 O ATOM 0 H SER A 101 7.859 9.354 -10.571 1.00 0.00 H new ATOM 0 HA SER A 101 8.926 7.818 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.673 10.823 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.596 10.085 -7.560 1.00 0.00 H new ATOM 0 HG SER A 101 10.914 10.592 -9.400 1.00 0.00 H new ATOM 1195 N GLY A 102 7.560 8.499 -6.341 1.00 0.00 N ATOM 1196 CA GLY A 102 6.594 8.566 -5.258 1.00 0.00 C ATOM 1197 C GLY A 102 5.977 9.943 -5.101 1.00 0.00 C ATOM 1198 O GLY A 102 4.775 10.061 -4.861 1.00 0.00 O ATOM 0 H GLY A 102 8.491 8.190 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.803 7.838 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.082 8.283 -4.325 1.00 0.00 H new ATOM 1202 N ALA A 103 6.802 10.987 -5.231 1.00 0.00 N ATOM 1203 CA ALA A 103 6.325 12.367 -5.120 1.00 0.00 C ATOM 1204 C ALA A 103 5.156 12.617 -6.074 1.00 0.00 C ATOM 1205 O ALA A 103 4.190 13.298 -5.722 1.00 0.00 O ATOM 1206 CB ALA A 103 7.459 13.341 -5.406 1.00 0.00 C ATOM 0 H ALA A 103 7.802 10.902 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 103 5.973 12.527 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.091 14.363 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.264 13.184 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.836 13.175 -6.415 1.00 0.00 H new ATOM 1212 N ALA A 104 5.251 12.052 -7.281 1.00 0.00 N ATOM 1213 CA ALA A 104 4.201 12.196 -8.287 1.00 0.00 C ATOM 1214 C ALA A 104 2.976 11.371 -7.902 1.00 0.00 C ATOM 1215 O ALA A 104 1.841 11.834 -8.019 1.00 0.00 O ATOM 1216 CB ALA A 104 4.712 11.767 -9.654 1.00 0.00 C ATOM 0 H ALA A 104 6.047 11.490 -7.583 1.00 0.00 H new ATOM 0 HA ALA A 104 3.914 13.246 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.917 11.881 -10.392 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.561 12.389 -9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.024 10.723 -9.615 1.00 0.00 H new ATOM 1222 N LEU A 105 3.226 10.140 -7.445 1.00 0.00 N ATOM 1223 CA LEU A 105 2.165 9.228 -7.024 1.00 0.00 C ATOM 1224 C LEU A 105 1.289 9.867 -5.943 1.00 0.00 C ATOM 1225 O LEU A 105 0.061 9.771 -5.997 1.00 0.00 O ATOM 1226 CB LEU A 105 2.779 7.925 -6.505 1.00 0.00 C ATOM 1227 CG LEU A 105 1.825 6.733 -6.430 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.370 6.322 -7.823 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.491 5.568 -5.716 1.00 0.00 C ATOM 0 H LEU A 105 4.165 9.752 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 105 1.533 9.011 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.617 7.657 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.185 8.106 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 105 0.945 7.029 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.692 5.472 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.855 7.157 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.237 6.043 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.800 4.726 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.388 5.272 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.764 5.869 -4.705 1.00 0.00 H new ATOM 1241 N CYS A 106 1.925 10.514 -4.964 1.00 0.00 N ATOM 1242 CA CYS A 106 1.198 11.182 -3.883 1.00 0.00 C ATOM 1243 C CYS A 106 0.383 12.355 -4.429 1.00 0.00 C ATOM 1244 O CYS A 106 -0.769 12.556 -4.037 1.00 0.00 O ATOM 1245 CB CYS A 106 2.170 11.679 -2.807 1.00 0.00 C ATOM 1246 SG CYS A 106 3.159 10.373 -2.042 1.00 0.00 S ATOM 0 H CYS A 106 2.940 10.589 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 106 0.517 10.459 -3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.841 12.415 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.603 12.192 -2.030 1.00 0.00 H new ATOM 0 HG CYS A 106 4.033 9.933 -2.898 1.00 0.00 H new ATOM 1252 N ALA A 107 0.992 13.123 -5.336 1.00 0.00 N ATOM 1253 CA ALA A 107 0.327 14.271 -5.954 1.00 0.00 C ATOM 1254 C ALA A 107 -0.892 13.838 -6.772 1.00 0.00 C ATOM 1255 O ALA A 107 -1.860 14.591 -6.900 1.00 0.00 O ATOM 1256 CB ALA A 107 1.306 15.039 -6.832 1.00 0.00 C ATOM 0 H ALA A 107 1.947 12.969 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.022 14.924 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.798 15.890 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.138 15.395 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.684 14.383 -7.616 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.838 12.621 -7.323 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.934 12.082 -8.128 1.00 0.00 C ATOM 1264 C LEU A 108 -3.222 11.935 -7.313 1.00 0.00 C ATOM 1265 O LEU A 108 -4.313 12.205 -7.815 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.541 10.721 -8.715 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.636 10.774 -9.948 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.232 9.368 -10.368 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.333 11.493 -11.095 1.00 0.00 C ATOM 0 H LEU A 108 -0.043 11.990 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.123 12.791 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.038 10.142 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.451 10.181 -8.976 1.00 0.00 H new ATOM 0 HG LEU A 108 0.264 11.332 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.411 9.421 -11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.306 8.885 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.124 8.789 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.673 11.520 -11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.250 10.963 -11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.576 12.511 -10.792 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.086 11.516 -6.053 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.246 11.327 -5.200 1.00 0.00 C ATOM 1283 C GLY A 109 -4.868 9.950 -5.362 1.00 0.00 C ATOM 1284 O GLY A 109 -4.495 9.195 -6.262 1.00 0.00 O ATOM 0 H GLY A 109 -2.192 11.305 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.955 11.471 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.991 12.088 -5.431 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.817 9.624 -4.484 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.498 8.328 -4.524 1.00 0.00 C ATOM 1290 C LYS A 110 -7.210 8.108 -5.860 1.00 0.00 C ATOM 1291 O LYS A 110 -7.079 7.046 -6.465 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.502 8.218 -3.372 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.261 6.899 -3.346 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.122 6.772 -2.101 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.268 7.774 -2.102 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.100 7.667 -0.871 1.00 0.00 N ATOM 0 H LYS A 110 -6.133 10.240 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.739 7.553 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.972 8.341 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.217 9.037 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.890 6.823 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.553 6.071 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.523 5.761 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.505 6.926 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.867 8.784 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.894 7.609 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.869 8.366 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.504 6.711 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.509 7.850 -0.035 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.967 9.113 -6.310 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.701 9.023 -7.576 1.00 0.00 C ATOM 1312 C GLU A 111 -7.783 8.618 -8.733 1.00 0.00 C ATOM 1313 O GLU A 111 -8.088 7.674 -9.464 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.407 10.351 -7.890 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.478 11.556 -7.950 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.223 12.855 -8.186 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.437 13.212 -9.365 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.594 13.517 -7.193 1.00 0.00 O ATOM 0 H GLU A 111 -8.088 9.998 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.455 8.244 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.924 10.257 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.169 10.532 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.919 11.626 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.749 11.409 -8.747 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.659 9.319 -8.891 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.713 9.011 -9.962 1.00 0.00 C ATOM 1327 C CYS A 112 -5.072 7.640 -9.753 1.00 0.00 C ATOM 1328 O CYS A 112 -4.882 6.886 -10.710 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.631 10.088 -10.047 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.214 11.671 -10.700 1.00 0.00 S ATOM 0 H CYS A 112 -6.384 10.099 -8.294 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.267 8.991 -10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.215 10.249 -9.053 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.820 9.724 -10.677 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.117 12.583 -9.778 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.750 7.317 -8.498 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.141 6.031 -8.167 1.00 0.00 C ATOM 1338 C PHE A 113 -5.092 4.879 -8.491 1.00 0.00 C ATOM 1339 O PHE A 113 -4.671 3.848 -9.019 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.757 5.995 -6.685 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.898 4.821 -6.318 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.523 4.888 -6.454 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.467 3.652 -5.841 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.728 3.809 -6.121 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.678 2.570 -5.506 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.305 2.648 -5.645 1.00 0.00 C ATOM 0 H PHE A 113 -4.902 7.929 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.241 5.913 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.229 6.915 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.665 5.973 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.066 5.794 -6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.539 3.586 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.344 3.873 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.133 1.663 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.685 1.804 -5.382 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.377 5.061 -8.167 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.393 4.046 -8.440 1.00 0.00 C ATOM 1358 C LEU A 114 -7.613 3.888 -9.947 1.00 0.00 C ATOM 1359 O LEU A 114 -8.099 2.856 -10.402 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.710 4.395 -7.738 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.916 3.731 -6.373 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.783 4.084 -5.419 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.258 4.138 -5.781 1.00 0.00 C ATOM 0 H LEU A 114 -6.735 5.903 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.035 3.095 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.760 5.476 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.537 4.113 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.912 2.651 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.953 3.600 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.836 3.740 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.747 5.165 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.389 3.658 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.288 5.220 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.060 3.828 -6.451 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.276 4.928 -10.714 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.395 4.881 -12.170 1.00 0.00 C ATOM 1377 C GLU A 115 -6.234 4.086 -12.776 1.00 0.00 C ATOM 1378 O GLU A 115 -6.336 3.578 -13.895 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.424 6.298 -12.750 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.714 7.048 -12.459 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.654 8.504 -12.884 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.842 8.780 -14.087 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.420 9.367 -12.011 1.00 0.00 O ATOM 0 H GLU A 115 -6.919 5.811 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.330 4.381 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.585 6.864 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.281 6.243 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.539 6.557 -12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.928 6.994 -11.392 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.130 3.981 -12.025 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.945 3.245 -12.470 1.00 0.00 C ATOM 1392 C LEU A 116 -4.059 1.754 -12.135 1.00 0.00 C ATOM 1393 O LEU A 116 -3.616 0.902 -12.908 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.689 3.823 -11.808 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.399 5.293 -12.121 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.254 5.807 -11.260 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.075 5.473 -13.598 1.00 0.00 C ATOM 0 H LEU A 116 -5.035 4.401 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.872 3.351 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.784 3.711 -10.728 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.830 3.227 -12.116 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.292 5.874 -11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.062 6.854 -11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.521 5.716 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.357 5.220 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.872 6.525 -13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.198 4.878 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.923 5.145 -14.199 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.655 1.449 -10.979 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.825 0.064 -10.534 1.00 0.00 C ATOM 1411 C ALA A 117 -6.296 -0.352 -10.572 1.00 0.00 C ATOM 1412 O ALA A 117 -7.183 0.494 -10.486 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.265 -0.109 -9.131 1.00 0.00 C ATOM 0 H ALA A 117 -5.028 2.145 -10.333 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.275 -0.581 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.397 -1.143 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.203 0.138 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.792 0.553 -8.445 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.573 -1.665 -10.705 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.946 -2.187 -10.753 1.00 0.00 C ATOM 1421 C PRO A 118 -8.797 -1.765 -9.551 1.00 0.00 C ATOM 1422 O PRO A 118 -8.300 -1.184 -8.583 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.770 -3.712 -10.781 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.347 -3.962 -10.419 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.581 -2.740 -10.840 1.00 0.00 C ATOM 0 HA PRO A 118 -8.480 -1.794 -11.618 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -8.444 -4.197 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.999 -4.114 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.243 -4.135 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.968 -4.851 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.712 -2.569 -10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.215 -2.826 -11.863 1.00 0.00 H new ATOM 1433 N ASP A 119 -10.087 -2.082 -9.635 1.00 0.00 N ATOM 1434 CA ASP A 119 -11.069 -1.744 -8.601 1.00 0.00 C ATOM 1435 C ASP A 119 -10.743 -2.326 -7.217 1.00 0.00 C ATOM 1436 O ASP A 119 -11.225 -1.801 -6.210 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.454 -2.237 -9.041 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.532 -1.964 -8.007 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -14.009 -0.812 -7.936 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.898 -2.903 -7.269 1.00 0.00 O ATOM 0 H ASP A 119 -10.486 -2.585 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.045 -0.659 -8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.726 -1.753 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.408 -3.308 -9.237 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.935 -3.388 -7.149 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.645 -3.996 -5.845 1.00 0.00 C ATOM 1447 C PHE A 120 -8.216 -3.737 -5.362 1.00 0.00 C ATOM 1448 O PHE A 120 -8.020 -3.251 -4.246 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.961 -5.493 -5.851 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.417 -5.794 -6.079 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.300 -5.859 -5.012 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.903 -6.010 -7.359 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.639 -6.131 -5.218 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.241 -6.283 -7.571 1.00 0.00 C ATOM 1455 CZ PHE A 120 -14.111 -6.344 -6.499 1.00 0.00 C ATOM 0 H PHE A 120 -9.484 -3.832 -7.949 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.303 -3.505 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.371 -5.978 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.653 -5.926 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.937 -5.695 -4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.228 -5.964 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.316 -6.177 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.606 -6.449 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.157 -6.558 -6.662 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.220 -4.058 -6.192 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.814 -3.870 -5.809 1.00 0.00 C ATOM 1467 C VAL A 121 -5.507 -2.407 -5.477 1.00 0.00 C ATOM 1468 O VAL A 121 -4.691 -2.126 -4.599 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.829 -4.363 -6.898 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.309 -5.664 -7.527 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.597 -3.299 -7.957 1.00 0.00 C ATOM 0 H VAL A 121 -7.356 -4.446 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.670 -4.479 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.874 -4.560 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.597 -5.985 -8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.389 -6.432 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.285 -5.508 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.901 -3.677 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.544 -3.049 -8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.179 -2.407 -7.491 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.162 -1.482 -6.189 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.951 -0.061 -5.954 1.00 0.00 C ATOM 1483 C GLY A 122 -6.146 0.331 -4.499 1.00 0.00 C ATOM 1484 O GLY A 122 -5.436 1.197 -3.986 1.00 0.00 O ATOM 0 H GLY A 122 -6.835 -1.696 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.942 0.208 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.640 0.511 -6.575 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.109 -0.311 -3.832 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.391 -0.029 -2.427 1.00 0.00 C ATOM 1490 C ASP A 123 -6.246 -0.500 -1.531 1.00 0.00 C ATOM 1491 O ASP A 123 -5.763 0.253 -0.691 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.693 -0.709 -1.993 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.099 -0.329 -0.580 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -9.815 0.682 -0.420 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -8.699 -1.040 0.366 1.00 0.00 O ATOM 0 H ASP A 123 -7.705 -1.029 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.496 1.051 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.491 -0.436 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.574 -1.791 -2.056 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.819 -1.751 -1.720 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.737 -2.331 -0.923 1.00 0.00 C ATOM 1502 C ILE A 124 -3.454 -1.503 -1.028 1.00 0.00 C ATOM 1503 O ILE A 124 -2.814 -1.210 -0.015 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.431 -3.789 -1.351 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.555 -4.733 -0.914 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.101 -4.258 -0.773 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -6.757 -4.722 -1.832 1.00 0.00 C ATOM 0 H ILE A 124 -6.208 -2.383 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.082 -2.327 0.111 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.363 -3.808 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.162 -5.748 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.875 -4.459 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.909 -5.284 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.300 -3.612 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.141 -4.214 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.509 -5.416 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -7.177 -3.717 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -6.453 -5.026 -2.834 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.089 -1.127 -2.255 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.875 -0.352 -2.487 1.00 0.00 C ATOM 1521 C LEU A 125 -1.994 1.055 -1.903 1.00 0.00 C ATOM 1522 O LEU A 125 -1.181 1.439 -1.069 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.546 -0.286 -3.982 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.361 -1.641 -4.672 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.079 -1.450 -6.154 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.242 -2.436 -4.013 1.00 0.00 C ATOM 0 H LEU A 125 -3.617 -1.347 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.057 -0.861 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.344 0.255 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.634 0.296 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.287 -2.206 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.950 -2.423 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.915 -0.927 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.169 -0.863 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.129 -3.394 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.691 -1.877 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.486 -2.607 -2.964 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.008 1.816 -2.323 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.196 3.178 -1.815 1.00 0.00 C ATOM 1540 C TRP A 126 -3.415 3.181 -0.298 1.00 0.00 C ATOM 1541 O TRP A 126 -2.988 4.114 0.382 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.348 3.891 -2.541 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.082 4.881 -1.683 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.841 6.219 -1.583 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.168 4.601 -0.792 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.710 6.790 -0.686 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.535 5.817 -0.187 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.865 3.439 -0.447 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.568 5.903 0.743 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.890 3.526 0.475 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.232 4.751 1.061 1.00 0.00 C ATOM 0 H TRP A 126 -3.704 1.517 -3.006 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.281 3.733 -2.020 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.951 4.406 -3.416 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.054 3.144 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.078 6.752 -2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.737 7.778 -0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.607 2.490 -0.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.835 6.846 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.436 2.635 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.038 4.786 1.780 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.067 2.150 0.237 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.296 2.070 1.678 1.00 0.00 C ATOM 1564 C GLU A 127 -2.957 2.078 2.417 1.00 0.00 C ATOM 1565 O GLU A 127 -2.722 2.916 3.288 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.100 0.815 2.031 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.532 0.752 3.487 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.561 -0.333 3.738 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -6.158 -1.479 4.026 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.771 -0.037 3.644 1.00 0.00 O ATOM 0 H GLU A 127 -4.442 1.367 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.876 2.939 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.986 0.772 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.500 -0.066 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.659 0.573 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.945 1.716 3.783 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.074 1.148 2.047 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.747 1.060 2.654 1.00 0.00 C ATOM 1579 C HIS A 128 0.135 2.223 2.185 1.00 0.00 C ATOM 1580 O HIS A 128 1.017 2.676 2.914 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.091 -0.280 2.299 1.00 0.00 C ATOM 1582 CG HIS A 128 1.218 -0.526 2.990 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.152 -1.430 2.528 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.748 0.016 4.114 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.198 -1.433 3.336 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.978 -0.565 4.305 1.00 0.00 N ATOM 0 H HIS A 128 -2.255 0.446 1.330 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.855 1.122 3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.779 -1.087 2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.067 -0.320 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.289 0.765 4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.082 -2.042 3.222 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.618 -0.359 5.072 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.119 2.701 0.962 1.00 0.00 N ATOM 1596 CA LEU A 129 0.635 3.810 0.381 1.00 0.00 C ATOM 1597 C LEU A 129 0.500 5.070 1.231 1.00 0.00 C ATOM 1598 O LEU A 129 1.501 5.695 1.583 1.00 0.00 O ATOM 1599 CB LEU A 129 0.151 4.091 -1.046 1.00 0.00 C ATOM 1600 CG LEU A 129 0.944 5.151 -1.818 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.406 4.744 -1.948 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.326 5.375 -3.189 1.00 0.00 C ATOM 0 H LEU A 129 -0.849 2.331 0.353 1.00 0.00 H new ATOM 0 HA LEU A 129 1.686 3.524 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.180 3.159 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.892 4.404 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 129 0.903 6.087 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.950 5.511 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.842 4.633 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.474 3.796 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.899 6.130 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.339 4.441 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.703 5.714 -3.073 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.741 5.440 1.559 1.00 0.00 N ATOM 1615 CA GLU A 130 -0.986 6.626 2.375 1.00 0.00 C ATOM 1616 C GLU A 130 -0.435 6.418 3.783 1.00 0.00 C ATOM 1617 O GLU A 130 0.035 7.360 4.420 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.483 6.958 2.439 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.138 7.162 1.079 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.313 8.024 0.142 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.333 9.263 0.301 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.650 7.458 -0.754 1.00 0.00 O ATOM 0 H GLU A 130 -1.583 4.939 1.274 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.473 7.467 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.000 6.153 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.618 7.862 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.307 6.190 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.116 7.622 1.219 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.502 5.169 4.258 1.00 0.00 N ATOM 1630 CA ILE A 131 0.009 4.819 5.580 1.00 0.00 C ATOM 1631 C ILE A 131 1.514 5.085 5.659 1.00 0.00 C ATOM 1632 O ILE A 131 2.022 5.503 6.698 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.284 3.339 5.920 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.774 3.146 6.204 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.549 2.877 7.106 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.190 1.696 6.290 1.00 0.00 C ATOM 0 H ILE A 131 -0.906 4.386 3.743 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.503 5.445 6.311 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.010 2.730 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.024 3.643 7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.351 3.635 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.324 1.833 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.608 2.978 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.313 3.489 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.259 1.636 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.972 1.198 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.640 1.207 7.094 1.00 0.00 H new ATOM 1648 N LEU A 132 2.218 4.832 4.554 1.00 0.00 N ATOM 1649 CA LEU A 132 3.658 5.073 4.485 1.00 0.00 C ATOM 1650 C LEU A 132 3.956 6.564 4.665 1.00 0.00 C ATOM 1651 O LEU A 132 4.908 6.935 5.354 1.00 0.00 O ATOM 1652 CB LEU A 132 4.220 4.583 3.145 1.00 0.00 C ATOM 1653 CG LEU A 132 4.232 3.063 2.960 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.628 2.702 1.536 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.179 2.409 3.958 1.00 0.00 C ATOM 0 H LEU A 132 1.813 4.460 3.695 1.00 0.00 H new ATOM 0 HA LEU A 132 4.139 4.517 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.634 5.026 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.239 4.954 3.039 1.00 0.00 H new ATOM 0 HG LEU A 132 3.225 2.688 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.631 1.618 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.913 3.138 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.624 3.092 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.174 1.329 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.188 2.791 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.853 2.638 4.973 1.00 0.00 H new ATOM 1667 N GLN A 133 3.129 7.411 4.042 1.00 0.00 N ATOM 1668 CA GLN A 133 3.285 8.862 4.140 1.00 0.00 C ATOM 1669 C GLN A 133 3.171 9.315 5.596 1.00 0.00 C ATOM 1670 O GLN A 133 4.053 10.005 6.111 1.00 0.00 O ATOM 1671 CB GLN A 133 2.231 9.572 3.284 1.00 0.00 C ATOM 1672 CG GLN A 133 2.226 9.125 1.831 1.00 0.00 C ATOM 1673 CD GLN A 133 1.189 9.845 0.991 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.835 10.993 1.262 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.698 9.172 -0.043 1.00 0.00 N ATOM 0 H GLN A 133 2.343 7.113 3.464 1.00 0.00 H new ATOM 0 HA GLN A 133 4.275 9.127 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.245 9.393 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.406 10.647 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 133 3.214 9.294 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.039 8.052 1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 133 1.019 8.222 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 133 0.000 9.605 -0.648 1.00 0.00 H new