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 73 THR OG1 : rot -104:sc= -0.035 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 GLN : amide:sc= -0.958 K(o=-1.4,f=-4.3) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -176:sc= -0.457 (180deg=-0.308) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0973 X(o=-0.097,f=-0.55) USER MOD Single : A 71 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.87! X(o=-1.9!,f=-1.8) USER MOD Single : A 82 MET CE :methyl -128:sc= -1.62 (180deg=-1.97!) USER MOD Single : A 86 ASN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 89 SER OG : rot -58:sc= 0.206 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.006 (180deg=-0.177) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -34:sc= 0.49 USER MOD Single : A 100 MET CE :methyl -134:sc= 0 (180deg=-0.0536) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 117:sc= 0.0798 USER MOD Single : A 128 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-0.044) USER MOD Single : A 133 GLN : amide:sc= -1.84 K(o=-1.8,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.465 -7.412 6.708 1.00 0.00 N ATOM 414 CA GLY A 55 6.953 -7.918 5.438 1.00 0.00 C ATOM 415 C GLY A 55 7.427 -6.812 4.505 1.00 0.00 C ATOM 416 O GLY A 55 8.107 -7.083 3.515 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.775 -8.611 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.160 -8.485 4.949 1.00 0.00 H new ATOM 420 N PHE A 56 7.075 -5.561 4.826 1.00 0.00 N ATOM 421 CA PHE A 56 7.473 -4.422 4.006 1.00 0.00 C ATOM 422 C PHE A 56 8.826 -3.884 4.455 1.00 0.00 C ATOM 423 O PHE A 56 9.730 -3.707 3.640 1.00 0.00 O ATOM 424 CB PHE A 56 6.421 -3.308 4.053 1.00 0.00 C ATOM 425 CG PHE A 56 6.709 -2.173 3.106 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.246 -2.419 1.850 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.443 -0.863 3.472 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.514 -1.380 0.981 1.00 0.00 C ATOM 429 CE2 PHE A 56 6.709 0.180 2.604 1.00 0.00 C ATOM 430 CZ PHE A 56 7.245 -0.079 1.357 1.00 0.00 C ATOM 0 H PHE A 56 6.518 -5.318 5.645 1.00 0.00 H new ATOM 0 HA PHE A 56 7.556 -4.769 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.445 -3.730 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.361 -2.918 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.457 -3.435 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.024 -0.655 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.934 -1.585 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.498 1.197 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.453 0.735 0.678 1.00 0.00 H new ATOM 440 N THR A 57 8.959 -3.625 5.759 1.00 0.00 N ATOM 441 CA THR A 57 10.207 -3.112 6.320 1.00 0.00 C ATOM 442 C THR A 57 11.381 -4.036 5.989 1.00 0.00 C ATOM 443 O THR A 57 12.462 -3.563 5.639 1.00 0.00 O ATOM 444 CB THR A 57 10.109 -2.929 7.849 1.00 0.00 C ATOM 445 OG1 THR A 57 9.053 -2.012 8.168 1.00 0.00 O ATOM 446 CG2 THR A 57 11.421 -2.417 8.426 1.00 0.00 C ATOM 0 H THR A 57 8.216 -3.763 6.444 1.00 0.00 H new ATOM 0 HA THR A 57 10.382 -2.137 5.865 1.00 0.00 H new ATOM 0 HB THR A 57 9.894 -3.902 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.997 -1.903 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.322 -2.298 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.216 -3.131 8.211 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.666 -1.455 7.976 1.00 0.00 H new ATOM 454 N LYS A 58 11.163 -5.349 6.096 1.00 0.00 N ATOM 455 CA LYS A 58 12.210 -6.326 5.785 1.00 0.00 C ATOM 456 C LYS A 58 12.660 -6.181 4.331 1.00 0.00 C ATOM 457 O LYS A 58 13.831 -6.388 4.011 1.00 0.00 O ATOM 458 CB LYS A 58 11.712 -7.755 6.036 1.00 0.00 C ATOM 459 CG LYS A 58 10.606 -8.196 5.088 1.00 0.00 C ATOM 460 CD LYS A 58 10.093 -9.585 5.434 1.00 0.00 C ATOM 461 CE LYS A 58 9.243 -10.163 4.310 1.00 0.00 C ATOM 462 NZ LYS A 58 8.667 -11.488 4.670 1.00 0.00 N ATOM 0 H LYS A 58 10.277 -5.758 6.393 1.00 0.00 H new ATOM 0 HA LYS A 58 13.059 -6.132 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.552 -8.444 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.350 -7.829 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.783 -7.482 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.980 -8.190 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.936 -10.247 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.504 -9.539 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.436 -9.470 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.851 -10.264 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.096 -11.845 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.437 -12.158 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.066 -11.388 5.512 1.00 0.00 H new ATOM 476 N GLU A 59 11.716 -5.822 3.461 1.00 0.00 N ATOM 477 CA GLU A 59 11.991 -5.633 2.044 1.00 0.00 C ATOM 478 C GLU A 59 12.688 -4.295 1.804 1.00 0.00 C ATOM 479 O GLU A 59 13.638 -4.213 1.025 1.00 0.00 O ATOM 480 CB GLU A 59 10.682 -5.704 1.252 1.00 0.00 C ATOM 481 CG GLU A 59 10.834 -5.409 -0.231 1.00 0.00 C ATOM 482 CD GLU A 59 10.405 -3.999 -0.592 1.00 0.00 C ATOM 483 OE1 GLU A 59 11.248 -3.082 -0.509 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.224 -3.812 -0.955 1.00 0.00 O ATOM 0 H GLU A 59 10.744 -5.655 3.721 1.00 0.00 H new ATOM 0 HA GLU A 59 12.657 -6.426 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.252 -6.699 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.972 -4.997 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.874 -5.554 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.241 -6.123 -0.802 1.00 0.00 H new ATOM 491 N GLN A 60 12.206 -3.248 2.480 1.00 0.00 N ATOM 492 CA GLN A 60 12.778 -1.907 2.348 1.00 0.00 C ATOM 493 C GLN A 60 14.247 -1.871 2.772 1.00 0.00 C ATOM 494 O GLN A 60 15.010 -1.032 2.297 1.00 0.00 O ATOM 495 CB GLN A 60 11.979 -0.904 3.182 1.00 0.00 C ATOM 496 CG GLN A 60 10.528 -0.770 2.752 1.00 0.00 C ATOM 497 CD GLN A 60 9.755 0.216 3.605 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.174 -0.152 4.625 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.743 1.480 3.193 1.00 0.00 N ATOM 0 H GLN A 60 11.419 -3.305 3.126 1.00 0.00 H new ATOM 0 HA GLN A 60 12.723 -1.634 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.012 -1.207 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.459 0.072 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.490 -0.451 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.046 -1.746 2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.238 1.743 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.239 2.186 3.729 1.00 0.00 H new ATOM 508 N GLN A 61 14.635 -2.776 3.672 1.00 0.00 N ATOM 509 CA GLN A 61 16.020 -2.838 4.148 1.00 0.00 C ATOM 510 C GLN A 61 16.929 -3.575 3.156 1.00 0.00 C ATOM 511 O GLN A 61 18.155 -3.492 3.259 1.00 0.00 O ATOM 512 CB GLN A 61 16.085 -3.515 5.520 1.00 0.00 C ATOM 513 CG GLN A 61 15.348 -2.755 6.613 1.00 0.00 C ATOM 514 CD GLN A 61 15.913 -1.365 6.855 1.00 0.00 C ATOM 515 OE1 GLN A 61 17.112 -1.129 6.698 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.045 -0.433 7.240 1.00 0.00 N ATOM 0 H GLN A 61 14.015 -3.473 4.085 1.00 0.00 H new ATOM 0 HA GLN A 61 16.381 -1.813 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.665 -4.518 5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.130 -3.629 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.295 -2.671 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.395 -3.327 7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.060 -0.671 7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.364 0.519 7.417 1.00 0.00 H new ATOM 525 N ARG A 62 16.332 -4.290 2.199 1.00 0.00 N ATOM 526 CA ARG A 62 17.099 -5.025 1.193 1.00 0.00 C ATOM 527 C ARG A 62 17.480 -4.119 0.020 1.00 0.00 C ATOM 528 O ARG A 62 18.552 -4.272 -0.568 1.00 0.00 O ATOM 529 CB ARG A 62 16.291 -6.223 0.684 1.00 0.00 C ATOM 530 CG ARG A 62 15.917 -7.213 1.776 1.00 0.00 C ATOM 531 CD ARG A 62 14.803 -8.146 1.330 1.00 0.00 C ATOM 532 NE ARG A 62 14.371 -9.039 2.407 1.00 0.00 N ATOM 533 CZ ARG A 62 13.136 -9.536 2.524 1.00 0.00 C ATOM 534 NH1 ARG A 62 12.194 -9.235 1.632 1.00 0.00 N ATOM 535 NH2 ARG A 62 12.843 -10.340 3.539 1.00 0.00 N ATOM 0 H ARG A 62 15.320 -4.375 2.101 1.00 0.00 H new ATOM 0 HA ARG A 62 18.016 -5.382 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.381 -5.860 0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.868 -6.741 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.794 -7.799 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.602 -6.670 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.953 -7.557 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.145 -8.740 0.482 1.00 0.00 H new ATOM 0 HE ARG A 62 15.058 -9.299 3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.412 -8.619 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.255 -9.621 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.559 -10.576 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.902 -10.722 3.632 1.00 0.00 H new ATOM 549 N LEU A 63 16.593 -3.178 -0.314 1.00 0.00 N ATOM 550 CA LEU A 63 16.823 -2.243 -1.416 1.00 0.00 C ATOM 551 C LEU A 63 17.195 -0.843 -0.917 1.00 0.00 C ATOM 552 O LEU A 63 17.841 -0.080 -1.637 1.00 0.00 O ATOM 553 CB LEU A 63 15.572 -2.159 -2.295 1.00 0.00 C ATOM 554 CG LEU A 63 15.129 -3.486 -2.915 1.00 0.00 C ATOM 555 CD1 LEU A 63 14.037 -4.132 -2.077 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.661 -3.276 -4.347 1.00 0.00 C ATOM 0 H LEU A 63 15.704 -3.044 0.167 1.00 0.00 H new ATOM 0 HA LEU A 63 17.664 -2.622 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.752 -1.763 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.757 -1.444 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 63 15.985 -4.161 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.736 -5.074 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.414 -4.321 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.177 -3.464 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.350 -4.230 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.820 -2.583 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.478 -2.864 -4.940 1.00 0.00 H new ATOM 568 N GLY A 64 16.787 -0.507 0.311 1.00 0.00 N ATOM 569 CA GLY A 64 17.086 0.806 0.868 1.00 0.00 C ATOM 570 C GLY A 64 15.915 1.778 0.769 1.00 0.00 C ATOM 571 O GLY A 64 16.077 2.972 1.030 1.00 0.00 O ATOM 0 H GLY A 64 16.255 -1.121 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.370 0.694 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.946 1.228 0.347 1.00 0.00 H new ATOM 575 N ILE A 65 14.738 1.266 0.393 1.00 0.00 N ATOM 576 CA ILE A 65 13.537 2.093 0.256 1.00 0.00 C ATOM 577 C ILE A 65 13.220 2.834 1.560 1.00 0.00 C ATOM 578 O ILE A 65 13.105 2.217 2.620 1.00 0.00 O ATOM 579 CB ILE A 65 12.307 1.249 -0.152 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.618 0.419 -1.404 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.102 2.149 -0.392 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.430 -0.352 -1.937 1.00 0.00 C ATOM 0 H ILE A 65 14.593 0.280 0.178 1.00 0.00 H new ATOM 0 HA ILE A 65 13.748 2.818 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 65 12.069 0.565 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.989 1.082 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.420 -0.282 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.244 1.540 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.869 2.697 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.329 2.855 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.728 -0.914 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.071 -1.042 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.633 0.344 -2.200 1.00 0.00 H new ATOM 594 N PRO A 66 13.075 4.176 1.492 1.00 0.00 N ATOM 595 CA PRO A 66 12.771 5.000 2.669 1.00 0.00 C ATOM 596 C PRO A 66 11.318 4.849 3.126 1.00 0.00 C ATOM 597 O PRO A 66 10.521 4.173 2.472 1.00 0.00 O ATOM 598 CB PRO A 66 13.042 6.423 2.178 1.00 0.00 C ATOM 599 CG PRO A 66 12.798 6.371 0.710 1.00 0.00 C ATOM 600 CD PRO A 66 13.199 4.990 0.265 1.00 0.00 C ATOM 0 HA PRO A 66 13.366 4.715 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.382 7.142 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.064 6.730 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.750 6.564 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.382 7.132 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.549 4.620 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.217 4.975 -0.124 1.00 0.00 H new ATOM 608 N LYS A 67 10.977 5.491 4.246 1.00 0.00 N ATOM 609 CA LYS A 67 9.620 5.414 4.793 1.00 0.00 C ATOM 610 C LYS A 67 8.789 6.646 4.412 1.00 0.00 C ATOM 611 O LYS A 67 8.005 7.147 5.223 1.00 0.00 O ATOM 612 CB LYS A 67 9.668 5.279 6.322 1.00 0.00 C ATOM 613 CG LYS A 67 10.739 4.327 6.838 1.00 0.00 C ATOM 614 CD LYS A 67 10.534 2.909 6.328 1.00 0.00 C ATOM 615 CE LYS A 67 11.554 1.953 6.928 1.00 0.00 C ATOM 616 NZ LYS A 67 11.493 0.605 6.299 1.00 0.00 N ATOM 0 H LYS A 67 11.619 6.068 4.790 1.00 0.00 H new ATOM 0 HA LYS A 67 9.143 4.533 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.836 6.265 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.695 4.937 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.721 4.685 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.728 4.325 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.527 2.573 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.615 2.896 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.555 2.366 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.378 1.861 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.156 -0.034 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.527 0.227 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.753 0.678 5.295 1.00 0.00 H new ATOM 630 N ASP A 68 8.953 7.127 3.176 1.00 0.00 N ATOM 631 CA ASP A 68 8.219 8.302 2.709 1.00 0.00 C ATOM 632 C ASP A 68 7.928 8.220 1.208 1.00 0.00 C ATOM 633 O ASP A 68 8.842 8.320 0.386 1.00 0.00 O ATOM 634 CB ASP A 68 9.010 9.577 3.018 1.00 0.00 C ATOM 635 CG ASP A 68 9.220 9.784 4.508 1.00 0.00 C ATOM 636 OD1 ASP A 68 8.293 10.287 5.177 1.00 0.00 O ATOM 637 OD2 ASP A 68 10.313 9.439 5.007 1.00 0.00 O ATOM 0 H ASP A 68 9.585 6.722 2.485 1.00 0.00 H new ATOM 0 HA ASP A 68 7.266 8.331 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.979 9.529 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.482 10.437 2.606 1.00 0.00 H new ATOM 642 N PRO A 69 6.642 8.037 0.837 1.00 0.00 N ATOM 643 CA PRO A 69 6.214 7.951 -0.567 1.00 0.00 C ATOM 644 C PRO A 69 6.603 9.185 -1.375 1.00 0.00 C ATOM 645 O PRO A 69 6.970 9.073 -2.540 1.00 0.00 O ATOM 646 CB PRO A 69 4.689 7.836 -0.486 1.00 0.00 C ATOM 647 CG PRO A 69 4.400 7.370 0.899 1.00 0.00 C ATOM 648 CD PRO A 69 5.507 7.902 1.763 1.00 0.00 C ATOM 0 HA PRO A 69 6.690 7.112 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.212 8.795 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.308 7.131 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.431 7.737 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.362 6.282 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.240 8.859 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.738 7.221 2.582 1.00 0.00 H new ATOM 656 N ARG A 70 6.516 10.365 -0.758 1.00 0.00 N ATOM 657 CA ARG A 70 6.876 11.608 -1.440 1.00 0.00 C ATOM 658 C ARG A 70 8.361 11.605 -1.811 1.00 0.00 C ATOM 659 O ARG A 70 8.754 12.166 -2.835 1.00 0.00 O ATOM 660 CB ARG A 70 6.551 12.827 -0.569 1.00 0.00 C ATOM 661 CG ARG A 70 5.072 12.966 -0.226 1.00 0.00 C ATOM 662 CD ARG A 70 4.753 12.381 1.142 1.00 0.00 C ATOM 663 NE ARG A 70 5.432 13.102 2.220 1.00 0.00 N ATOM 664 CZ ARG A 70 6.049 12.517 3.252 1.00 0.00 C ATOM 665 NH1 ARG A 70 6.099 11.193 3.352 1.00 0.00 N ATOM 666 NH2 ARG A 70 6.627 13.264 4.185 1.00 0.00 N ATOM 0 H ARG A 70 6.202 10.485 0.205 1.00 0.00 H new ATOM 0 HA ARG A 70 6.285 11.673 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.124 12.763 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.880 13.728 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.792 14.019 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.474 12.463 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.676 12.412 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.049 11.332 1.165 1.00 0.00 H new ATOM 0 HE ARG A 70 5.435 14.121 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.664 10.611 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.573 10.759 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.600 14.281 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.098 12.821 4.973 1.00 0.00 H new ATOM 680 N GLN A 71 9.179 10.964 -0.971 1.00 0.00 N ATOM 681 CA GLN A 71 10.616 10.862 -1.212 1.00 0.00 C ATOM 682 C GLN A 71 10.964 9.530 -1.887 1.00 0.00 C ATOM 683 O GLN A 71 11.985 8.912 -1.579 1.00 0.00 O ATOM 684 CB GLN A 71 11.389 11.006 0.104 1.00 0.00 C ATOM 685 CG GLN A 71 11.386 12.417 0.674 1.00 0.00 C ATOM 686 CD GLN A 71 10.015 12.865 1.151 1.00 0.00 C ATOM 687 OE1 GLN A 71 9.274 13.515 0.415 1.00 0.00 O ATOM 688 NE2 GLN A 71 9.669 12.515 2.385 1.00 0.00 N ATOM 0 H GLN A 71 8.866 10.507 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 71 10.906 11.672 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.960 10.327 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.421 10.693 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.088 12.467 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.744 13.110 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.314 11.975 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.758 12.786 2.755 1.00 0.00 H new ATOM 697 N TRP A 72 10.103 9.096 -2.811 1.00 0.00 N ATOM 698 CA TRP A 72 10.310 7.848 -3.544 1.00 0.00 C ATOM 699 C TRP A 72 10.531 8.125 -5.028 1.00 0.00 C ATOM 700 O TRP A 72 10.325 9.249 -5.495 1.00 0.00 O ATOM 701 CB TRP A 72 9.091 6.934 -3.396 1.00 0.00 C ATOM 702 CG TRP A 72 9.133 6.023 -2.208 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.976 6.089 -1.139 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.278 4.900 -1.978 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.697 5.074 -0.256 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.657 4.330 -0.750 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.225 4.323 -2.694 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.021 3.209 -0.223 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.595 3.212 -2.170 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.994 2.666 -0.945 1.00 0.00 C ATOM 0 H TRP A 72 9.252 9.595 -3.069 1.00 0.00 H new ATOM 0 HA TRP A 72 11.192 7.361 -3.127 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.196 7.552 -3.331 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.996 6.329 -4.298 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.750 6.830 -1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.184 4.902 0.624 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.910 4.739 -3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.327 2.784 0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.781 2.757 -2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.480 1.797 -0.561 1.00 0.00 H new ATOM 721 N THR A 73 10.948 7.099 -5.769 1.00 0.00 N ATOM 722 CA THR A 73 11.150 7.234 -7.208 1.00 0.00 C ATOM 723 C THR A 73 10.484 6.066 -7.945 1.00 0.00 C ATOM 724 O THR A 73 9.853 5.216 -7.315 1.00 0.00 O ATOM 725 CB THR A 73 12.649 7.319 -7.573 1.00 0.00 C ATOM 726 OG1 THR A 73 12.807 7.599 -8.969 1.00 0.00 O ATOM 727 CG2 THR A 73 13.371 6.022 -7.228 1.00 0.00 C ATOM 0 H THR A 73 11.151 6.171 -5.398 1.00 0.00 H new ATOM 0 HA THR A 73 10.685 8.168 -7.523 1.00 0.00 H new ATOM 0 HB THR A 73 13.089 8.128 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.074 6.781 -9.438 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.424 6.110 -7.495 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.283 5.830 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.923 5.198 -7.783 1.00 0.00 H new ATOM 735 N GLU A 74 10.623 6.027 -9.270 1.00 0.00 N ATOM 736 CA GLU A 74 10.017 4.965 -10.081 1.00 0.00 C ATOM 737 C GLU A 74 10.320 3.572 -9.522 1.00 0.00 C ATOM 738 O GLU A 74 9.438 2.713 -9.481 1.00 0.00 O ATOM 739 CB GLU A 74 10.498 5.057 -11.532 1.00 0.00 C ATOM 740 CG GLU A 74 10.163 6.380 -12.204 1.00 0.00 C ATOM 741 CD GLU A 74 10.533 6.400 -13.673 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.714 6.656 -13.986 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.640 6.159 -14.513 1.00 0.00 O ATOM 0 H GLU A 74 11.149 6.717 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 74 8.937 5.112 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.578 4.910 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.052 4.245 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.096 6.576 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.687 7.186 -11.691 1.00 0.00 H new ATOM 750 N THR A 75 11.563 3.354 -9.090 1.00 0.00 N ATOM 751 CA THR A 75 11.971 2.060 -8.546 1.00 0.00 C ATOM 752 C THR A 75 11.271 1.753 -7.220 1.00 0.00 C ATOM 753 O THR A 75 10.714 0.671 -7.049 1.00 0.00 O ATOM 754 CB THR A 75 13.497 1.985 -8.338 1.00 0.00 C ATOM 755 OG1 THR A 75 14.180 2.404 -9.529 1.00 0.00 O ATOM 756 CG2 THR A 75 13.928 0.569 -7.976 1.00 0.00 C ATOM 0 H THR A 75 12.303 4.056 -9.107 1.00 0.00 H new ATOM 0 HA THR A 75 11.674 1.314 -9.284 1.00 0.00 H new ATOM 0 HB THR A 75 13.758 2.651 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.148 2.354 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.008 0.542 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.434 0.263 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.651 -0.113 -8.780 1.00 0.00 H new ATOM 764 N HIS A 76 11.308 2.708 -6.285 1.00 0.00 N ATOM 765 CA HIS A 76 10.676 2.524 -4.973 1.00 0.00 C ATOM 766 C HIS A 76 9.167 2.315 -5.111 1.00 0.00 C ATOM 767 O HIS A 76 8.590 1.450 -4.450 1.00 0.00 O ATOM 768 CB HIS A 76 10.951 3.724 -4.061 1.00 0.00 C ATOM 769 CG HIS A 76 12.404 3.929 -3.750 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.958 5.171 -3.523 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.418 3.039 -3.619 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.247 5.037 -3.267 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.550 3.754 -3.318 1.00 0.00 N ATOM 0 H HIS A 76 11.766 3.611 -6.410 1.00 0.00 H new ATOM 0 HA HIS A 76 11.111 1.631 -4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.560 4.625 -4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.405 3.591 -3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.348 1.967 -3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.936 5.841 -3.052 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.476 3.357 -3.159 1.00 0.00 H new ATOM 782 N VAL A 77 8.541 3.118 -5.970 1.00 0.00 N ATOM 783 CA VAL A 77 7.102 3.033 -6.215 1.00 0.00 C ATOM 784 C VAL A 77 6.706 1.654 -6.739 1.00 0.00 C ATOM 785 O VAL A 77 5.807 1.009 -6.200 1.00 0.00 O ATOM 786 CB VAL A 77 6.654 4.103 -7.235 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.215 3.865 -7.680 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.808 5.493 -6.637 1.00 0.00 C ATOM 0 H VAL A 77 9.013 3.841 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 77 6.605 3.207 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 77 7.292 4.028 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.925 4.632 -8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.136 2.883 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.554 3.910 -6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.489 6.239 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.193 5.574 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.853 5.663 -6.376 1.00 0.00 H new ATOM 798 N ARG A 78 7.399 1.209 -7.790 1.00 0.00 N ATOM 799 CA ARG A 78 7.120 -0.081 -8.413 1.00 0.00 C ATOM 800 C ARG A 78 7.550 -1.245 -7.523 1.00 0.00 C ATOM 801 O ARG A 78 6.815 -2.223 -7.393 1.00 0.00 O ATOM 802 CB ARG A 78 7.814 -0.178 -9.773 1.00 0.00 C ATOM 803 CG ARG A 78 7.481 -1.449 -10.538 1.00 0.00 C ATOM 804 CD ARG A 78 8.300 -1.565 -11.812 1.00 0.00 C ATOM 805 NE ARG A 78 7.906 -2.724 -12.614 1.00 0.00 N ATOM 806 CZ ARG A 78 8.396 -2.997 -13.826 1.00 0.00 C ATOM 807 NH1 ARG A 78 9.306 -2.202 -14.383 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.975 -4.073 -14.481 1.00 0.00 N ATOM 0 H ARG A 78 8.160 1.728 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 78 6.041 -0.149 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.532 0.684 -10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.893 -0.125 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.668 -2.316 -9.904 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.419 -1.458 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.180 -0.657 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.357 -1.643 -11.558 1.00 0.00 H new ATOM 0 HE ARG A 78 7.214 -3.363 -12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.635 -1.376 -13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.674 -2.419 -15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.280 -4.688 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.347 -4.285 -15.407 1.00 0.00 H new ATOM 822 N ASP A 79 8.734 -1.148 -6.914 1.00 0.00 N ATOM 823 CA ASP A 79 9.222 -2.218 -6.045 1.00 0.00 C ATOM 824 C ASP A 79 8.224 -2.494 -4.920 1.00 0.00 C ATOM 825 O ASP A 79 8.001 -3.648 -4.550 1.00 0.00 O ATOM 826 CB ASP A 79 10.598 -1.882 -5.466 1.00 0.00 C ATOM 827 CG ASP A 79 11.229 -3.070 -4.764 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.863 -3.896 -5.452 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.085 -3.177 -3.528 1.00 0.00 O ATOM 0 H ASP A 79 9.364 -0.351 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 79 9.324 -3.118 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.255 -1.544 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.502 -1.055 -4.762 1.00 0.00 H new ATOM 834 N TRP A 80 7.630 -1.426 -4.377 1.00 0.00 N ATOM 835 CA TRP A 80 6.637 -1.572 -3.318 1.00 0.00 C ATOM 836 C TRP A 80 5.382 -2.224 -3.899 1.00 0.00 C ATOM 837 O TRP A 80 4.966 -3.287 -3.445 1.00 0.00 O ATOM 838 CB TRP A 80 6.309 -0.222 -2.669 1.00 0.00 C ATOM 839 CG TRP A 80 5.000 -0.210 -1.934 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.722 -0.806 -0.737 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.787 0.421 -2.359 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.412 -0.579 -0.391 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.818 0.171 -1.371 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.431 1.176 -3.479 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.514 0.648 -1.471 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.137 1.648 -3.577 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.193 1.384 -2.578 1.00 0.00 C ATOM 0 H TRP A 80 7.820 -0.462 -4.653 1.00 0.00 H new ATOM 0 HA TRP A 80 7.044 -2.209 -2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.108 0.042 -1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.290 0.547 -3.441 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.428 -1.373 -0.149 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.956 -0.914 0.458 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.154 1.387 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.783 0.444 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.848 2.231 -4.439 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.190 1.770 -2.684 1.00 0.00 H new ATOM 858 N VAL A 81 4.771 -1.553 -4.885 1.00 0.00 N ATOM 859 CA VAL A 81 3.592 -2.084 -5.574 1.00 0.00 C ATOM 860 C VAL A 81 3.757 -3.578 -5.851 1.00 0.00 C ATOM 861 O VAL A 81 2.925 -4.388 -5.441 1.00 0.00 O ATOM 862 CB VAL A 81 3.344 -1.342 -6.910 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.314 -2.070 -7.764 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.901 0.090 -6.654 1.00 0.00 C ATOM 0 H VAL A 81 5.076 -0.640 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 81 2.734 -1.929 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 81 4.286 -1.324 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.162 -1.524 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.671 -3.075 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.370 -2.132 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.732 0.594 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.977 0.087 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.676 0.617 -6.097 1.00 0.00 H new ATOM 874 N MET A 82 4.847 -3.927 -6.538 1.00 0.00 N ATOM 875 CA MET A 82 5.149 -5.319 -6.871 1.00 0.00 C ATOM 876 C MET A 82 5.191 -6.179 -5.609 1.00 0.00 C ATOM 877 O MET A 82 4.622 -7.271 -5.574 1.00 0.00 O ATOM 878 CB MET A 82 6.487 -5.403 -7.609 1.00 0.00 C ATOM 879 CG MET A 82 6.749 -6.755 -8.251 1.00 0.00 C ATOM 880 SD MET A 82 8.167 -6.727 -9.366 1.00 0.00 S ATOM 881 CE MET A 82 7.632 -5.506 -10.563 1.00 0.00 C ATOM 0 H MET A 82 5.539 -3.258 -6.876 1.00 0.00 H new ATOM 0 HA MET A 82 4.359 -5.698 -7.520 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.515 -4.633 -8.380 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.292 -5.182 -6.909 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.919 -7.497 -7.471 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.863 -7.069 -8.803 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.727 -5.916 -11.568 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.591 -5.244 -10.375 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.252 -4.614 -10.475 1.00 0.00 H new ATOM 891 N TRP A 83 5.877 -5.678 -4.580 1.00 0.00 N ATOM 892 CA TRP A 83 5.980 -6.381 -3.303 1.00 0.00 C ATOM 893 C TRP A 83 4.590 -6.657 -2.724 1.00 0.00 C ATOM 894 O TRP A 83 4.357 -7.710 -2.135 1.00 0.00 O ATOM 895 CB TRP A 83 6.818 -5.563 -2.310 1.00 0.00 C ATOM 896 CG TRP A 83 6.589 -5.940 -0.876 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.257 -6.889 -0.158 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.613 -5.379 0.009 1.00 0.00 C ATOM 899 NE1 TRP A 83 6.758 -6.951 1.119 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.747 -6.034 1.246 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.638 -4.385 -0.126 1.00 0.00 C ATOM 902 CZ2 TRP A 83 4.943 -5.727 2.341 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.842 -4.083 0.961 1.00 0.00 C ATOM 904 CH2 TRP A 83 3.998 -4.751 2.180 1.00 0.00 C ATOM 0 H TRP A 83 6.370 -4.786 -4.608 1.00 0.00 H new ATOM 0 HA TRP A 83 6.476 -7.336 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.874 -5.692 -2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.589 -4.505 -2.440 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.061 -7.502 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.086 -7.578 1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.510 -3.863 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.061 -6.241 3.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.086 -3.318 0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.359 -4.491 3.011 1.00 0.00 H new ATOM 915 N ALA A 84 3.668 -5.706 -2.906 1.00 0.00 N ATOM 916 CA ALA A 84 2.302 -5.848 -2.405 1.00 0.00 C ATOM 917 C ALA A 84 1.519 -6.887 -3.213 1.00 0.00 C ATOM 918 O ALA A 84 0.500 -7.402 -2.751 1.00 0.00 O ATOM 919 CB ALA A 84 1.586 -4.505 -2.431 1.00 0.00 C ATOM 0 H ALA A 84 3.846 -4.830 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 84 2.357 -6.198 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.570 -4.627 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.123 -3.794 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.552 -4.131 -3.454 1.00 0.00 H new ATOM 925 N VAL A 85 2.008 -7.198 -4.417 1.00 0.00 N ATOM 926 CA VAL A 85 1.361 -8.178 -5.286 1.00 0.00 C ATOM 927 C VAL A 85 1.755 -9.602 -4.889 1.00 0.00 C ATOM 928 O VAL A 85 0.944 -10.523 -4.976 1.00 0.00 O ATOM 929 CB VAL A 85 1.729 -7.954 -6.768 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.916 -8.871 -7.669 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.520 -6.501 -7.160 1.00 0.00 C ATOM 0 H VAL A 85 2.852 -6.782 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 85 0.286 -8.047 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 85 2.784 -8.195 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.191 -8.697 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.119 -9.910 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.146 -8.665 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.785 -6.365 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.474 -6.231 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.150 -5.863 -6.541 1.00 0.00 H new ATOM 941 N ASN A 86 3.008 -9.773 -4.462 1.00 0.00 N ATOM 942 CA ASN A 86 3.512 -11.082 -4.047 1.00 0.00 C ATOM 943 C ASN A 86 3.301 -11.302 -2.548 1.00 0.00 C ATOM 944 O ASN A 86 3.118 -12.435 -2.101 1.00 0.00 O ATOM 945 CB ASN A 86 4.999 -11.214 -4.389 1.00 0.00 C ATOM 946 CG ASN A 86 5.262 -11.132 -5.883 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.248 -12.146 -6.582 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.504 -9.924 -6.381 1.00 0.00 N ATOM 0 H ASN A 86 3.692 -9.020 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 86 2.952 -11.844 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.556 -10.427 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.373 -12.165 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.688 -9.811 -7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.506 -9.110 -5.766 1.00 0.00 H new ATOM 955 N GLU A 87 3.325 -10.210 -1.779 1.00 0.00 N ATOM 956 CA GLU A 87 3.134 -10.271 -0.334 1.00 0.00 C ATOM 957 C GLU A 87 1.656 -10.468 0.012 1.00 0.00 C ATOM 958 O GLU A 87 1.323 -11.205 0.942 1.00 0.00 O ATOM 959 CB GLU A 87 3.658 -8.985 0.313 1.00 0.00 C ATOM 960 CG GLU A 87 3.644 -9.003 1.831 1.00 0.00 C ATOM 961 CD GLU A 87 4.652 -9.974 2.418 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.809 -9.561 2.646 1.00 0.00 O ATOM 963 OE2 GLU A 87 4.283 -11.145 2.650 1.00 0.00 O ATOM 0 H GLU A 87 3.476 -9.268 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 87 3.692 -11.123 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.678 -8.809 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.057 -8.145 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.853 -8.000 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.645 -9.270 2.177 1.00 0.00 H new ATOM 970 N PHE A 88 0.778 -9.804 -0.744 1.00 0.00 N ATOM 971 CA PHE A 88 -0.665 -9.905 -0.521 1.00 0.00 C ATOM 972 C PHE A 88 -1.356 -10.714 -1.627 1.00 0.00 C ATOM 973 O PHE A 88 -2.586 -10.735 -1.707 1.00 0.00 O ATOM 974 CB PHE A 88 -1.289 -8.506 -0.440 1.00 0.00 C ATOM 975 CG PHE A 88 -0.569 -7.568 0.492 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.240 -7.962 1.780 1.00 0.00 C ATOM 977 CD2 PHE A 88 -0.219 -6.294 0.075 1.00 0.00 C ATOM 978 CE1 PHE A 88 0.424 -7.102 2.634 1.00 0.00 C ATOM 979 CE2 PHE A 88 0.446 -5.430 0.925 1.00 0.00 C ATOM 980 CZ PHE A 88 0.767 -5.834 2.206 1.00 0.00 C ATOM 0 H PHE A 88 1.042 -9.191 -1.515 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.813 -10.428 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.306 -8.068 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.325 -8.600 -0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.506 -8.952 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.468 -5.972 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.675 -7.421 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.714 -4.440 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.285 -5.160 2.872 1.00 0.00 H new ATOM 990 N SER A 89 -0.558 -11.388 -2.473 1.00 0.00 N ATOM 991 CA SER A 89 -1.085 -12.194 -3.579 1.00 0.00 C ATOM 992 C SER A 89 -2.177 -11.446 -4.353 1.00 0.00 C ATOM 993 O SER A 89 -3.303 -11.929 -4.485 1.00 0.00 O ATOM 994 CB SER A 89 -1.617 -13.533 -3.051 1.00 0.00 C ATOM 995 OG SER A 89 -1.994 -14.392 -4.115 1.00 0.00 O ATOM 0 H SER A 89 0.460 -11.388 -2.408 1.00 0.00 H new ATOM 0 HA SER A 89 -0.267 -12.387 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.852 -14.017 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.475 -13.356 -2.402 1.00 0.00 H new ATOM 0 HG SER A 89 -2.673 -13.951 -4.667 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.833 -10.263 -4.867 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.784 -9.456 -5.627 1.00 0.00 C ATOM 1003 C LEU A 90 -2.738 -9.814 -7.114 1.00 0.00 C ATOM 1004 O LEU A 90 -1.876 -10.583 -7.548 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.496 -7.964 -5.430 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.548 -7.479 -3.978 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.335 -5.974 -3.910 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.871 -7.862 -3.330 1.00 0.00 C ATOM 0 H LEU A 90 -0.907 -9.846 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.786 -9.672 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.508 -7.744 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.216 -7.391 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.744 -7.966 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.375 -5.647 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.361 -5.725 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.116 -5.470 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.887 -7.508 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.692 -7.406 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.982 -8.946 -3.343 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.665 -9.252 -7.890 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.725 -9.522 -9.326 1.00 0.00 C ATOM 1022 C LYS A 91 -4.408 -8.382 -10.087 1.00 0.00 C ATOM 1023 O LYS A 91 -5.227 -7.649 -9.528 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.455 -10.846 -9.595 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.948 -10.818 -9.286 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.219 -10.840 -7.788 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.710 -10.900 -7.490 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.322 -12.180 -7.944 1.00 0.00 N ATOM 0 H LYS A 91 -4.381 -8.610 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.699 -9.600 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.318 -11.116 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.988 -11.631 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.392 -9.923 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.432 -11.675 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.723 -11.701 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.791 -9.950 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.870 -10.783 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.211 -10.065 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.273 -12.275 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.392 -12.183 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.730 -12.977 -7.635 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.055 -8.246 -11.367 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.636 -7.207 -12.204 1.00 0.00 C ATOM 1044 C GLY A 92 -3.928 -5.861 -12.092 1.00 0.00 C ATOM 1045 O GLY A 92 -4.248 -4.933 -12.839 1.00 0.00 O ATOM 0 H GLY A 92 -3.374 -8.840 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.612 -7.535 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.684 -7.079 -11.934 1.00 0.00 H new ATOM 1049 N VAL A 93 -2.966 -5.748 -11.171 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.230 -4.501 -10.978 1.00 0.00 C ATOM 1051 C VAL A 93 -1.165 -4.319 -12.057 1.00 0.00 C ATOM 1052 O VAL A 93 -0.418 -5.246 -12.373 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.574 -4.439 -9.579 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.502 -5.506 -9.428 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.000 -3.053 -9.315 1.00 0.00 C ATOM 0 H VAL A 93 -2.681 -6.505 -10.550 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.953 -3.689 -11.055 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.347 -4.636 -8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.058 -5.438 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.949 -6.492 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.271 -5.354 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.543 -3.031 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.246 -2.822 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.799 -2.313 -9.362 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.111 -3.114 -12.621 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.152 -2.797 -13.673 1.00 0.00 C ATOM 1067 C ASP A 94 0.991 -1.938 -13.142 1.00 0.00 C ATOM 1068 O ASP A 94 0.769 -0.981 -12.397 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.858 -2.064 -14.816 1.00 0.00 C ATOM 1070 CG ASP A 94 -1.941 -2.904 -15.468 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.100 -2.839 -15.008 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.629 -3.627 -16.438 1.00 0.00 O ATOM 0 H ASP A 94 -1.723 -2.340 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 94 0.268 -3.734 -14.039 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.298 -1.143 -14.435 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.123 -1.778 -15.568 1.00 0.00 H new ATOM 1077 N PHE A 95 2.215 -2.286 -13.538 1.00 0.00 N ATOM 1078 CA PHE A 95 3.404 -1.544 -13.119 1.00 0.00 C ATOM 1079 C PHE A 95 3.679 -0.387 -14.078 1.00 0.00 C ATOM 1080 O PHE A 95 4.255 0.628 -13.683 1.00 0.00 O ATOM 1081 CB PHE A 95 4.616 -2.474 -13.027 1.00 0.00 C ATOM 1082 CG PHE A 95 4.401 -3.641 -12.104 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.258 -3.445 -10.740 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.331 -4.932 -12.603 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.051 -4.514 -9.891 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.124 -6.005 -11.758 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.984 -5.795 -10.400 1.00 0.00 C ATOM 0 H PHE A 95 2.409 -3.079 -14.150 1.00 0.00 H new ATOM 0 HA PHE A 95 3.219 -1.129 -12.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.856 -2.847 -14.023 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.479 -1.903 -12.684 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.309 -2.445 -10.336 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.439 -5.101 -13.664 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.942 -4.348 -8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.072 -7.007 -12.159 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.822 -6.632 -9.737 1.00 0.00 H new ATOM 1097 N GLN A 96 3.268 -0.546 -15.342 1.00 0.00 N ATOM 1098 CA GLN A 96 3.432 0.506 -16.345 1.00 0.00 C ATOM 1099 C GLN A 96 2.660 1.754 -15.914 1.00 0.00 C ATOM 1100 O GLN A 96 3.088 2.882 -16.164 1.00 0.00 O ATOM 1101 CB GLN A 96 2.930 0.028 -17.711 1.00 0.00 C ATOM 1102 CG GLN A 96 3.666 -1.195 -18.240 1.00 0.00 C ATOM 1103 CD GLN A 96 3.107 -1.695 -19.561 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.918 -1.546 -19.843 1.00 0.00 O ATOM 1105 NE2 GLN A 96 3.964 -2.298 -20.379 1.00 0.00 N ATOM 0 H GLN A 96 2.820 -1.393 -15.691 1.00 0.00 H new ATOM 0 HA GLN A 96 4.492 0.747 -16.430 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.867 -0.202 -17.637 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.031 0.841 -18.430 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.721 -0.952 -18.366 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.610 -1.995 -17.501 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.942 -2.401 -20.107 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.644 -2.657 -21.278 1.00 0.00 H new ATOM 1114 N LYS A 97 1.516 1.530 -15.258 1.00 0.00 N ATOM 1115 CA LYS A 97 0.671 2.608 -14.754 1.00 0.00 C ATOM 1116 C LYS A 97 1.372 3.376 -13.632 1.00 0.00 C ATOM 1117 O LYS A 97 1.209 4.591 -13.510 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.650 2.036 -14.231 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.444 1.273 -15.282 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.760 2.144 -16.487 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.598 1.398 -17.511 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.858 2.220 -18.725 1.00 0.00 N ATOM 0 H LYS A 97 1.154 0.596 -15.064 1.00 0.00 H new ATOM 0 HA LYS A 97 0.474 3.296 -15.576 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.442 1.372 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.262 2.852 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.878 0.399 -15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.372 0.908 -14.843 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.293 3.037 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.831 2.477 -16.949 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.086 0.479 -17.798 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.547 1.107 -17.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.433 1.673 -19.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.369 3.085 -18.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.954 2.477 -19.171 1.00 0.00 H new ATOM 1136 N PHE A 98 2.155 2.660 -12.819 1.00 0.00 N ATOM 1137 CA PHE A 98 2.879 3.276 -11.709 1.00 0.00 C ATOM 1138 C PHE A 98 4.350 3.514 -12.065 1.00 0.00 C ATOM 1139 O PHE A 98 5.228 3.418 -11.204 1.00 0.00 O ATOM 1140 CB PHE A 98 2.777 2.400 -10.455 1.00 0.00 C ATOM 1141 CG PHE A 98 1.365 2.169 -9.993 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.543 3.237 -9.678 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.864 0.883 -9.875 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.754 3.029 -9.255 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.433 0.668 -9.451 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.243 1.744 -9.142 1.00 0.00 C ATOM 0 H PHE A 98 2.302 1.655 -12.911 1.00 0.00 H new ATOM 0 HA PHE A 98 2.419 4.244 -11.508 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.246 1.437 -10.656 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.342 2.868 -9.649 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.921 4.245 -9.764 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.494 0.040 -10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.385 3.871 -9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.813 -0.339 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.258 1.579 -8.812 1.00 0.00 H new ATOM 1156 N CYS A 99 4.613 3.829 -13.337 1.00 0.00 N ATOM 1157 CA CYS A 99 5.974 4.089 -13.796 1.00 0.00 C ATOM 1158 C CYS A 99 6.329 5.560 -13.579 1.00 0.00 C ATOM 1159 O CYS A 99 6.517 6.319 -14.535 1.00 0.00 O ATOM 1160 CB CYS A 99 6.117 3.711 -15.275 1.00 0.00 C ATOM 1161 SG CYS A 99 7.815 3.776 -15.898 1.00 0.00 S ATOM 0 H CYS A 99 3.901 3.909 -14.063 1.00 0.00 H new ATOM 0 HA CYS A 99 6.665 3.477 -13.217 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.727 2.703 -15.420 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.498 4.381 -15.871 1.00 0.00 H new ATOM 0 HG CYS A 99 8.458 4.737 -15.305 1.00 0.00 H new ATOM 1167 N MET A 100 6.414 5.956 -12.309 1.00 0.00 N ATOM 1168 CA MET A 100 6.732 7.334 -11.944 1.00 0.00 C ATOM 1169 C MET A 100 7.267 7.409 -10.514 1.00 0.00 C ATOM 1170 O MET A 100 7.215 6.429 -9.768 1.00 0.00 O ATOM 1171 CB MET A 100 5.488 8.218 -12.086 1.00 0.00 C ATOM 1172 CG MET A 100 4.439 7.976 -11.009 1.00 0.00 C ATOM 1173 SD MET A 100 2.850 8.731 -11.399 1.00 0.00 S ATOM 1174 CE MET A 100 2.203 7.564 -12.593 1.00 0.00 C ATOM 0 H MET A 100 6.266 5.337 -11.512 1.00 0.00 H new ATOM 0 HA MET A 100 7.507 7.696 -12.620 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.791 9.264 -12.057 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.039 8.044 -13.064 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.303 6.903 -10.875 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.801 8.372 -10.060 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.797 8.105 -13.448 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.004 6.905 -12.928 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.414 6.971 -12.131 1.00 0.00 H new ATOM 1184 N SER A 101 7.769 8.583 -10.135 1.00 0.00 N ATOM 1185 CA SER A 101 8.312 8.789 -8.795 1.00 0.00 C ATOM 1186 C SER A 101 7.195 8.886 -7.759 1.00 0.00 C ATOM 1187 O SER A 101 6.051 9.208 -8.088 1.00 0.00 O ATOM 1188 CB SER A 101 9.178 10.050 -8.753 1.00 0.00 C ATOM 1189 OG SER A 101 10.325 9.910 -9.574 1.00 0.00 O ATOM 0 H SER A 101 7.811 9.405 -10.737 1.00 0.00 H new ATOM 0 HA SER A 101 8.933 7.927 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.593 10.908 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.484 10.250 -7.726 1.00 0.00 H new ATOM 0 HG SER A 101 10.860 10.730 -9.531 1.00 0.00 H new ATOM 1195 N GLY A 102 7.542 8.601 -6.505 1.00 0.00 N ATOM 1196 CA GLY A 102 6.575 8.649 -5.422 1.00 0.00 C ATOM 1197 C GLY A 102 5.959 10.024 -5.240 1.00 0.00 C ATOM 1198 O GLY A 102 4.777 10.134 -4.912 1.00 0.00 O ATOM 0 H GLY A 102 8.485 8.336 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.784 7.925 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.061 8.349 -4.494 1.00 0.00 H new ATOM 1202 N ALA A 103 6.760 11.075 -5.444 1.00 0.00 N ATOM 1203 CA ALA A 103 6.275 12.450 -5.319 1.00 0.00 C ATOM 1204 C ALA A 103 5.077 12.685 -6.240 1.00 0.00 C ATOM 1205 O ALA A 103 4.115 13.358 -5.865 1.00 0.00 O ATOM 1206 CB ALA A 103 7.389 13.437 -5.637 1.00 0.00 C ATOM 0 H ALA A 103 7.745 10.998 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 103 5.953 12.608 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.012 14.455 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.216 13.288 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.738 13.276 -6.657 1.00 0.00 H new ATOM 1212 N ALA A 104 5.145 12.115 -7.447 1.00 0.00 N ATOM 1213 CA ALA A 104 4.068 12.242 -8.425 1.00 0.00 C ATOM 1214 C ALA A 104 2.873 11.387 -8.015 1.00 0.00 C ATOM 1215 O ALA A 104 1.725 11.823 -8.105 1.00 0.00 O ATOM 1216 CB ALA A 104 4.556 11.834 -9.806 1.00 0.00 C ATOM 0 H ALA A 104 5.938 11.560 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 104 3.755 13.285 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.742 11.934 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.384 12.477 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.893 10.798 -9.781 1.00 0.00 H new ATOM 1222 N LEU A 105 3.161 10.163 -7.567 1.00 0.00 N ATOM 1223 CA LEU A 105 2.129 9.226 -7.128 1.00 0.00 C ATOM 1224 C LEU A 105 1.269 9.835 -6.016 1.00 0.00 C ATOM 1225 O LEU A 105 0.042 9.725 -6.046 1.00 0.00 O ATOM 1226 CB LEU A 105 2.780 7.930 -6.638 1.00 0.00 C ATOM 1227 CG LEU A 105 1.850 6.721 -6.556 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.459 6.254 -7.951 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.514 5.597 -5.775 1.00 0.00 C ATOM 0 H LEU A 105 4.111 9.797 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 105 1.480 9.007 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.609 7.685 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.205 8.108 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 105 0.942 7.014 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.796 5.392 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.946 7.061 -8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.355 5.974 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.840 4.742 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.437 5.303 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.741 5.940 -4.766 1.00 0.00 H new ATOM 1241 N CYS A 106 1.920 10.473 -5.039 1.00 0.00 N ATOM 1242 CA CYS A 106 1.209 11.110 -3.929 1.00 0.00 C ATOM 1243 C CYS A 106 0.383 12.297 -4.427 1.00 0.00 C ATOM 1244 O CYS A 106 -0.746 12.509 -3.982 1.00 0.00 O ATOM 1245 CB CYS A 106 2.202 11.574 -2.856 1.00 0.00 C ATOM 1246 SG CYS A 106 1.424 12.278 -1.383 1.00 0.00 S ATOM 0 H CYS A 106 2.935 10.562 -4.995 1.00 0.00 H new ATOM 0 HA CYS A 106 0.533 10.376 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.820 10.727 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.870 12.318 -3.291 1.00 0.00 H new ATOM 0 HG CYS A 106 2.343 12.637 -0.537 1.00 0.00 H new ATOM 1252 N ALA A 107 0.960 13.065 -5.356 1.00 0.00 N ATOM 1253 CA ALA A 107 0.284 14.227 -5.935 1.00 0.00 C ATOM 1254 C ALA A 107 -0.939 13.818 -6.764 1.00 0.00 C ATOM 1255 O ALA A 107 -1.863 14.613 -6.947 1.00 0.00 O ATOM 1256 CB ALA A 107 1.257 15.024 -6.794 1.00 0.00 C ATOM 0 H ALA A 107 1.897 12.901 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.067 14.850 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.744 15.886 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.090 15.365 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.634 14.392 -7.598 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.941 12.577 -7.260 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.047 12.066 -8.073 1.00 0.00 C ATOM 1264 C LEU A 108 -3.328 11.886 -7.255 1.00 0.00 C ATOM 1265 O LEU A 108 -4.428 12.108 -7.762 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.662 10.730 -8.716 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.752 10.833 -9.942 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.292 9.451 -10.378 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.470 11.540 -11.082 1.00 0.00 C ATOM 0 H LEU A 108 -0.187 11.907 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.243 12.807 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.165 10.114 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.574 10.208 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 108 0.126 11.421 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.354 9.541 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.260 8.978 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.160 8.842 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.807 11.604 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.365 10.979 -11.352 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.753 12.544 -10.767 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.180 11.494 -5.988 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.337 11.274 -5.137 1.00 0.00 C ATOM 1283 C GLY A 109 -4.905 9.873 -5.286 1.00 0.00 C ATOM 1284 O GLY A 109 -4.481 9.116 -6.163 1.00 0.00 O ATOM 0 H GLY A 109 -2.280 11.326 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.057 11.441 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.109 12.004 -5.381 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.864 9.527 -4.429 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.493 8.206 -4.463 1.00 0.00 C ATOM 1290 C LYS A 110 -7.206 7.953 -5.794 1.00 0.00 C ATOM 1291 O LYS A 110 -7.019 6.904 -6.407 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.482 8.059 -3.305 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.165 6.701 -3.254 1.00 0.00 C ATOM 1294 CD LYS A 110 -8.999 6.545 -1.993 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.245 7.415 -2.035 1.00 0.00 C ATOM 1296 NZ LYS A 110 -10.977 7.400 -0.738 1.00 0.00 N ATOM 0 H LYS A 110 -6.224 10.144 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.702 7.463 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.955 8.227 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.242 8.836 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.802 6.580 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.413 5.913 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.288 5.501 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.398 6.811 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.965 8.439 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.905 7.065 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.820 8.005 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.267 6.427 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.356 7.758 0.015 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.021 8.915 -6.232 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.763 8.791 -7.491 1.00 0.00 C ATOM 1312 C GLU A 111 -7.844 8.413 -8.657 1.00 0.00 C ATOM 1313 O GLU A 111 -8.115 7.447 -9.371 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.521 10.089 -7.808 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.639 11.329 -7.863 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.440 12.605 -8.044 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.690 12.990 -9.205 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.818 13.219 -7.023 1.00 0.00 O ATOM 0 H GLU A 111 -8.185 9.790 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.486 7.985 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.029 9.975 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.293 10.239 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.056 11.397 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.929 11.230 -8.684 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.756 9.162 -8.840 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.813 8.887 -9.924 1.00 0.00 C ATOM 1327 C CYS A 112 -5.098 7.554 -9.703 1.00 0.00 C ATOM 1328 O CYS A 112 -4.880 6.795 -10.650 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.794 10.019 -10.048 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.495 11.582 -10.628 1.00 0.00 S ATOM 0 H CYS A 112 -6.507 9.960 -8.255 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.379 8.821 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.327 10.181 -9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.005 9.710 -10.734 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.366 12.485 -9.702 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.740 7.272 -8.448 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.057 6.029 -8.100 1.00 0.00 C ATOM 1338 C PHE A 113 -4.945 4.819 -8.399 1.00 0.00 C ATOM 1339 O PHE A 113 -4.478 3.817 -8.943 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.668 6.045 -6.620 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.788 4.901 -6.215 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.438 4.911 -6.517 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.311 3.818 -5.529 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.623 3.861 -6.142 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.503 2.764 -5.152 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.156 2.786 -5.460 1.00 0.00 C ATOM 0 H PHE A 113 -4.913 7.891 -7.656 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.155 5.948 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.156 6.981 -6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.575 6.026 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.017 5.749 -7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.363 3.798 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.430 3.881 -6.382 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.923 1.924 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.521 1.963 -5.167 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.227 4.922 -8.034 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.190 3.848 -8.275 1.00 0.00 C ATOM 1358 C LEU A 114 -7.444 3.669 -9.774 1.00 0.00 C ATOM 1359 O LEU A 114 -7.828 2.589 -10.216 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.504 4.124 -7.539 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.607 3.511 -6.138 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.455 3.973 -5.256 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -9.942 3.865 -5.501 1.00 0.00 C ATOM 0 H LEU A 114 -6.620 5.741 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.765 2.922 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.637 5.203 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.328 3.747 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.545 2.427 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.551 3.524 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.509 3.667 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.479 5.059 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.999 3.422 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.031 4.948 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.753 3.478 -6.118 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.246 4.741 -10.549 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.416 4.685 -12.000 1.00 0.00 C ATOM 1377 C GLU A 115 -6.253 3.927 -12.651 1.00 0.00 C ATOM 1378 O GLU A 115 -6.390 3.393 -13.753 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.511 6.099 -12.582 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.845 6.779 -12.315 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.858 8.236 -12.739 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.149 8.507 -13.922 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.579 9.104 -11.885 1.00 0.00 O ATOM 0 H GLU A 115 -6.968 5.656 -10.193 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.343 4.153 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.711 6.710 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.346 6.052 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.633 6.244 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.075 6.713 -11.252 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.111 3.886 -11.955 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.920 3.192 -12.448 1.00 0.00 C ATOM 1392 C LEU A 116 -3.951 1.705 -12.082 1.00 0.00 C ATOM 1393 O LEU A 116 -3.487 0.860 -12.849 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.658 3.835 -11.863 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.440 5.306 -12.230 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.301 5.897 -11.413 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.158 5.449 -13.717 1.00 0.00 C ATOM 0 H LEU A 116 -4.988 4.328 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.908 3.280 -13.534 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.698 3.751 -10.777 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.792 3.263 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.352 5.856 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.161 6.943 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.541 5.829 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.384 5.343 -11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.006 6.501 -13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.262 4.884 -13.973 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.004 5.064 -14.286 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.502 1.396 -10.905 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.588 0.016 -10.429 1.00 0.00 C ATOM 1411 C ALA A 117 -6.011 -0.531 -10.550 1.00 0.00 C ATOM 1412 O ALA A 117 -6.966 0.233 -10.685 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.114 -0.069 -8.985 1.00 0.00 C ATOM 0 H ALA A 117 -4.895 2.085 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.941 -0.596 -11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.182 -1.101 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.079 0.268 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.741 0.565 -8.358 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.171 -1.870 -10.517 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.486 -2.515 -10.611 1.00 0.00 C ATOM 1421 C PRO A 118 -8.439 -2.090 -9.491 1.00 0.00 C ATOM 1422 O PRO A 118 -8.066 -1.346 -8.581 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.175 -4.015 -10.504 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.800 -4.091 -9.937 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.087 -2.859 -10.413 1.00 0.00 C ATOM 0 HA PRO A 118 -7.994 -2.238 -11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.895 -4.521 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.225 -4.498 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.829 -4.129 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.288 -4.993 -10.274 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.317 -2.541 -9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.596 -3.022 -11.372 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.670 -2.583 -9.575 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.718 -2.272 -8.600 1.00 0.00 C ATOM 1435 C ASP A 119 -10.435 -2.831 -7.200 1.00 0.00 C ATOM 1436 O ASP A 119 -11.109 -2.440 -6.245 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.061 -2.820 -9.095 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.515 -2.170 -10.389 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -12.151 -2.682 -11.469 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.233 -1.150 -10.323 1.00 0.00 O ATOM 0 H ASP A 119 -9.973 -3.210 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.746 -1.186 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -11.978 -3.897 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.819 -2.662 -8.328 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.454 -3.734 -7.061 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.179 -4.312 -5.742 1.00 0.00 C ATOM 1447 C PHE A 120 -7.864 -3.810 -5.137 1.00 0.00 C ATOM 1448 O PHE A 120 -7.856 -3.270 -4.029 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.215 -5.842 -5.785 1.00 0.00 C ATOM 1450 CG PHE A 120 -10.473 -6.397 -6.392 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -11.652 -6.438 -5.663 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -10.479 -6.872 -7.693 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -12.810 -6.944 -6.220 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -11.635 -7.379 -8.256 1.00 0.00 C ATOM 1455 CZ PHE A 120 -12.802 -7.415 -7.519 1.00 0.00 C ATOM 0 H PHE A 120 -8.858 -4.070 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.978 -3.970 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.358 -6.201 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.109 -6.228 -4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.665 -6.070 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.569 -6.846 -8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.721 -6.972 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.625 -7.747 -9.271 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.707 -7.810 -7.957 1.00 0.00 H new ATOM 1465 N VAL A 121 -6.755 -3.991 -5.862 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.437 -3.567 -5.368 1.00 0.00 C ATOM 1467 C VAL A 121 -5.360 -2.050 -5.167 1.00 0.00 C ATOM 1468 O VAL A 121 -4.644 -1.578 -4.284 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.287 -4.014 -6.304 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.489 -5.447 -6.775 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.143 -3.068 -7.483 1.00 0.00 C ATOM 0 H VAL A 121 -6.741 -4.424 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.313 -4.059 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.360 -3.978 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.667 -5.734 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.515 -6.113 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.430 -5.522 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.328 -3.406 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.071 -3.054 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.926 -2.064 -7.119 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.094 -1.293 -5.992 1.00 0.00 N ATOM 1482 CA GLY A 122 -6.094 0.161 -5.881 1.00 0.00 C ATOM 1483 C GLY A 122 -6.335 0.643 -4.459 1.00 0.00 C ATOM 1484 O GLY A 122 -5.655 1.555 -3.984 1.00 0.00 O ATOM 0 H GLY A 122 -6.688 -1.663 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.138 0.548 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.864 0.571 -6.534 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.304 0.025 -3.781 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.632 0.383 -2.404 1.00 0.00 C ATOM 1490 C ASP A 123 -6.532 -0.073 -1.447 1.00 0.00 C ATOM 1491 O ASP A 123 -6.059 0.705 -0.618 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.968 -0.248 -1.995 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.406 0.163 -0.600 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -9.503 1.382 -0.338 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -9.650 -0.735 0.234 1.00 0.00 O ATOM 0 H ASP A 123 -7.875 -0.727 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.715 1.468 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.736 0.040 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.881 -1.334 -2.039 1.00 0.00 H new ATOM 1500 N ILE A 124 -6.132 -1.341 -1.576 1.00 0.00 N ATOM 1501 CA ILE A 124 -5.090 -1.922 -0.727 1.00 0.00 C ATOM 1502 C ILE A 124 -3.812 -1.086 -0.754 1.00 0.00 C ATOM 1503 O ILE A 124 -3.315 -0.662 0.290 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.737 -3.360 -1.169 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.988 -4.240 -1.223 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.704 -3.966 -0.227 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.731 -5.604 -1.822 1.00 0.00 C ATOM 0 H ILE A 124 -6.517 -1.988 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.495 -1.937 0.285 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.312 -3.311 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.383 -4.362 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.756 -3.733 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.466 -4.979 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.799 -3.358 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.107 -3.995 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.658 -6.178 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.365 -5.490 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.985 -6.129 -1.225 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.288 -0.861 -1.959 1.00 0.00 N ATOM 1520 CA LEU A 125 -2.060 -0.091 -2.135 1.00 0.00 C ATOM 1521 C LEU A 125 -2.175 1.305 -1.526 1.00 0.00 C ATOM 1522 O LEU A 125 -1.336 1.691 -0.719 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.686 0.000 -3.618 1.00 0.00 C ATOM 1524 CG LEU A 125 -0.825 -1.148 -4.151 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.502 -2.491 -3.914 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.536 -0.950 -5.632 1.00 0.00 C ATOM 0 H LEU A 125 -3.697 -1.203 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.266 -0.618 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.604 0.045 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -1.155 0.937 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 125 0.120 -1.146 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.870 -3.290 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.657 -2.637 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.464 -2.509 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.077 -1.774 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.475 -0.924 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.003 -0.010 -5.776 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.215 2.056 -1.900 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.406 3.409 -1.367 1.00 0.00 C ATOM 1540 C TRP A 126 -3.590 3.396 0.157 1.00 0.00 C ATOM 1541 O TRP A 126 -3.248 4.376 0.822 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.580 4.120 -2.057 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.132 5.269 -1.267 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.695 6.560 -1.285 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.214 5.224 -0.328 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.439 7.324 -0.419 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.380 6.525 0.179 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.061 4.209 0.129 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.355 6.839 1.123 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.028 4.522 1.065 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.169 5.827 1.552 1.00 0.00 C ATOM 0 H TRP A 126 -3.930 1.755 -2.562 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.499 3.973 -1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.252 4.483 -3.031 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.376 3.398 -2.238 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -3.882 6.929 -1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.312 8.322 -0.249 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.961 3.200 -0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.464 7.844 1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.687 3.746 1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.937 6.039 2.282 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.118 2.307 0.713 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.292 2.215 2.164 1.00 0.00 C ATOM 1564 C GLU A 127 -2.930 2.243 2.861 1.00 0.00 C ATOM 1565 O GLU A 127 -2.686 3.082 3.731 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.058 0.945 2.542 1.00 0.00 C ATOM 1567 CG GLU A 127 -6.562 1.070 2.366 1.00 0.00 C ATOM 1568 CD GLU A 127 -7.286 -0.246 2.576 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.153 -1.142 1.716 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.988 -0.381 3.601 1.00 0.00 O ATOM 0 H GLU A 127 -4.429 1.487 0.192 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.875 3.074 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -4.696 0.117 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.841 0.695 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.946 1.808 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.777 1.443 1.365 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.045 1.329 2.461 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.699 1.251 3.032 1.00 0.00 C ATOM 1579 C HIS A 128 0.162 2.419 2.544 1.00 0.00 C ATOM 1580 O HIS A 128 1.009 2.927 3.279 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.045 -0.082 2.654 1.00 0.00 C ATOM 1582 CG HIS A 128 1.255 -0.348 3.353 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.163 -1.287 2.912 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.798 0.202 4.466 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.206 -1.304 3.722 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.010 -0.410 4.672 1.00 0.00 N ATOM 0 H HIS A 128 -2.236 0.631 1.742 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.778 1.312 4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.739 -0.892 2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.124 -0.099 1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.359 0.977 5.077 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.072 -1.941 3.623 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.654 -0.206 5.436 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.067 2.839 1.296 1.00 0.00 N ATOM 1596 CA LEU A 129 0.669 3.950 0.696 1.00 0.00 C ATOM 1597 C LEU A 129 0.427 5.242 1.471 1.00 0.00 C ATOM 1598 O LEU A 129 1.368 5.986 1.758 1.00 0.00 O ATOM 1599 CB LEU A 129 0.249 4.134 -0.767 1.00 0.00 C ATOM 1600 CG LEU A 129 1.052 5.169 -1.560 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.525 4.789 -1.605 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.491 5.309 -2.967 1.00 0.00 C ATOM 0 H LEU A 129 -0.763 2.420 0.679 1.00 0.00 H new ATOM 0 HA LEU A 129 1.733 3.715 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.330 3.172 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.803 4.420 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 129 0.966 6.132 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.077 5.538 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.919 4.740 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.635 3.816 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.072 6.048 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.547 4.348 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.549 5.631 -2.914 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.839 5.504 1.807 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.198 6.707 2.553 1.00 0.00 C ATOM 1616 C GLU A 130 -0.638 6.642 3.975 1.00 0.00 C ATOM 1617 O GLU A 130 -0.380 7.673 4.595 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.718 6.893 2.582 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.149 8.289 3.003 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.652 8.481 2.935 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.358 7.983 3.835 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.122 9.131 1.977 1.00 0.00 O ATOM 0 H GLU A 130 -1.628 4.900 1.574 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.759 7.567 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.121 6.680 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.152 6.165 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.808 8.479 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.663 9.024 2.361 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.466 5.423 4.490 1.00 0.00 N ATOM 1630 CA ILE A 131 0.093 5.221 5.824 1.00 0.00 C ATOM 1631 C ILE A 131 1.571 5.626 5.852 1.00 0.00 C ATOM 1632 O ILE A 131 2.051 6.194 6.834 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.057 3.746 6.267 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.518 3.443 6.614 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.850 3.433 7.449 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.818 1.965 6.737 1.00 0.00 C ATOM 0 H ILE A 131 -0.707 4.561 4.001 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.461 5.851 6.520 1.00 0.00 H new ATOM 0 HB ILE A 131 0.246 3.109 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.769 3.935 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.162 3.873 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.723 2.390 7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.888 3.608 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.589 4.077 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.871 1.827 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.599 1.469 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.201 1.533 7.524 1.00 0.00 H new ATOM 1648 N LEU A 132 2.281 5.332 4.757 1.00 0.00 N ATOM 1649 CA LEU A 132 3.703 5.659 4.630 1.00 0.00 C ATOM 1650 C LEU A 132 3.938 7.173 4.632 1.00 0.00 C ATOM 1651 O LEU A 132 4.805 7.668 5.354 1.00 0.00 O ATOM 1652 CB LEU A 132 4.271 5.050 3.343 1.00 0.00 C ATOM 1653 CG LEU A 132 4.278 3.519 3.290 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.708 3.034 1.913 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.192 2.948 4.366 1.00 0.00 C ATOM 0 H LEU A 132 1.888 4.864 3.940 1.00 0.00 H new ATOM 0 HA LEU A 132 4.217 5.237 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.693 5.424 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.293 5.406 3.212 1.00 0.00 H new ATOM 0 HG LEU A 132 3.264 3.166 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.707 1.944 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.014 3.410 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.712 3.400 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.183 1.859 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.208 3.311 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.840 3.265 5.348 1.00 0.00 H new ATOM 1667 N GLN A 133 3.168 7.902 3.815 1.00 0.00 N ATOM 1668 CA GLN A 133 3.297 9.364 3.722 1.00 0.00 C ATOM 1669 C GLN A 133 3.108 10.043 5.078 1.00 0.00 C ATOM 1670 O GLN A 133 3.797 11.016 5.390 1.00 0.00 O ATOM 1671 CB GLN A 133 2.305 9.938 2.700 1.00 0.00 C ATOM 1672 CG GLN A 133 0.889 9.410 2.836 1.00 0.00 C ATOM 1673 CD GLN A 133 -0.050 9.991 1.798 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.668 11.033 2.018 1.00 0.00 O ATOM 1675 NE2 GLN A 133 -0.166 9.319 0.658 1.00 0.00 N ATOM 0 H GLN A 133 2.450 7.505 3.209 1.00 0.00 H new ATOM 0 HA GLN A 133 4.312 9.572 3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 133 2.286 11.023 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.667 9.717 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 133 0.899 8.324 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 133 0.512 9.642 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.364 8.459 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.786 9.663 -0.076 1.00 0.00 H new