USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 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 29 CYS SG : rot -90:sc= 0.0308 USER MOD Set 1.2: A 32 CYS SG : rot -137:sc= -0.047 USER MOD Set 1.3: A 53 CYS SG : rot -36:sc= 0.927 USER MOD Set 1.4: A 55 THR OG1 : rot 90:sc= 0.628 USER MOD Set 1.5: A 56 CYS SG : rot 147:sc= 0.232 USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0 X(o=-0.073,f=-0.12) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.3) USER MOD Set 3.1: A 45 CYS SG : rot 143:sc= 0.759 USER MOD Set 3.2: A 47 ASN : amide:sc= -0.504 K(o=1.6,f=0.8) USER MOD Set 3.3: A 48 CYS SG : rot -56:sc= 0.913 USER MOD Set 3.4: A 73 CYS SG : rot -124:sc= 0.457 USER MOD Set 3.5: A 76 CYS SG : rot 84:sc= -0.0167 USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= 0.0518 USER MOD Set 4.2: A 28 HIS : no HD1:sc= -0.589 K(o=-0.54,f=-1.9) USER MOD Single : A 31 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.0092) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 50 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.0071) USER MOD Single : A 57 SER OG : rot -63:sc= 0.778 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00532 USER MOD Single : A 59 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-1.8) USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.0032 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 358 N ALA A 26 2.138 12.654 9.486 1.00 0.00 N ATOM 359 CA ALA A 26 2.586 11.272 9.368 1.00 0.00 C ATOM 360 C ALA A 26 4.019 11.201 8.851 1.00 0.00 C ATOM 361 O ALA A 26 4.251 11.112 7.645 1.00 0.00 O ATOM 362 CB ALA A 26 1.654 10.491 8.454 1.00 0.00 C ATOM 0 HA ALA A 26 2.563 10.823 10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.001 9.461 8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.645 10.504 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.647 10.948 7.465 1.00 0.00 H new ATOM 368 N THR A 27 4.978 11.242 9.771 1.00 0.00 N ATOM 369 CA THR A 27 6.388 11.185 9.408 1.00 0.00 C ATOM 370 C THR A 27 6.830 9.750 9.143 1.00 0.00 C ATOM 371 O THR A 27 7.788 9.510 8.407 1.00 0.00 O ATOM 372 CB THR A 27 7.277 11.788 10.511 1.00 0.00 C ATOM 373 OG1 THR A 27 6.738 11.476 11.800 1.00 0.00 O ATOM 374 CG2 THR A 27 7.386 13.298 10.353 1.00 0.00 C ATOM 0 H THR A 27 4.803 11.315 10.773 1.00 0.00 H new ATOM 0 HA THR A 27 6.504 11.772 8.497 1.00 0.00 H new ATOM 0 HB THR A 27 8.274 11.356 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.310 11.862 12.496 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.019 13.702 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.824 13.532 9.383 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.393 13.743 10.420 1.00 0.00 H new ATOM 382 N HIS A 28 6.125 8.798 9.747 1.00 0.00 N ATOM 383 CA HIS A 28 6.444 7.385 9.575 1.00 0.00 C ATOM 384 C HIS A 28 5.175 6.560 9.388 1.00 0.00 C ATOM 385 O HIS A 28 4.106 6.926 9.878 1.00 0.00 O ATOM 386 CB HIS A 28 7.230 6.868 10.780 1.00 0.00 C ATOM 387 CG HIS A 28 8.573 7.511 10.940 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.739 8.817 11.351 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.819 7.019 10.743 1.00 0.00 C ATOM 390 CE1 HIS A 28 10.028 9.101 11.398 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.705 8.027 11.035 1.00 0.00 N ATOM 0 H HIS A 28 5.330 8.979 10.359 1.00 0.00 H new ATOM 0 HA HIS A 28 7.057 7.283 8.680 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.645 7.037 11.684 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.362 5.790 10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.069 6.020 10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.456 10.050 11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.721 7.957 10.980 1.00 0.00 H new ATOM 399 N CYS A 29 5.299 5.445 8.676 1.00 0.00 N ATOM 400 CA CYS A 29 4.162 4.568 8.423 1.00 0.00 C ATOM 401 C CYS A 29 3.492 4.155 9.730 1.00 0.00 C ATOM 402 O CYS A 29 4.096 4.230 10.800 1.00 0.00 O ATOM 403 CB CYS A 29 4.612 3.325 7.653 1.00 0.00 C ATOM 404 SG CYS A 29 3.269 2.478 6.759 1.00 0.00 S ATOM 0 H CYS A 29 6.176 5.127 8.264 1.00 0.00 H new ATOM 0 HA CYS A 29 3.438 5.118 7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.384 3.612 6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.068 2.623 8.351 1.00 0.00 H new ATOM 0 HG CYS A 29 2.729 1.584 7.533 1.00 0.00 H new ATOM 409 N ARG A 30 2.240 3.720 9.635 1.00 0.00 N ATOM 410 CA ARG A 30 1.487 3.297 10.810 1.00 0.00 C ATOM 411 C ARG A 30 1.350 1.777 10.849 1.00 0.00 C ATOM 412 O ARG A 30 0.405 1.245 11.430 1.00 0.00 O ATOM 413 CB ARG A 30 0.100 3.944 10.814 1.00 0.00 C ATOM 414 CG ARG A 30 -0.204 4.723 12.083 1.00 0.00 C ATOM 415 CD ARG A 30 0.554 6.041 12.123 1.00 0.00 C ATOM 416 NE ARG A 30 -0.195 7.123 11.490 1.00 0.00 N ATOM 417 CZ ARG A 30 -1.281 7.673 12.021 1.00 0.00 C ATOM 418 NH1 ARG A 30 -1.743 7.244 13.188 1.00 0.00 N ATOM 419 NH2 ARG A 30 -1.908 8.654 11.385 1.00 0.00 N ATOM 0 H ARG A 30 1.726 3.651 8.757 1.00 0.00 H new ATOM 0 HA ARG A 30 2.034 3.619 11.696 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.018 4.614 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.654 3.168 10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.275 4.916 12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.062 4.122 12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.767 6.305 13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.514 5.922 11.620 1.00 0.00 H new ATOM 0 HE ARG A 30 0.134 7.476 10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.264 6.490 13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.577 7.668 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.556 8.987 10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.742 9.076 11.794 1.00 0.00 H new ATOM 433 N GLN A 31 2.301 1.087 10.228 1.00 0.00 N ATOM 434 CA GLN A 31 2.286 -0.371 10.191 1.00 0.00 C ATOM 435 C GLN A 31 3.705 -0.930 10.191 1.00 0.00 C ATOM 436 O GLN A 31 4.102 -1.646 11.111 1.00 0.00 O ATOM 437 CB GLN A 31 1.530 -0.863 8.956 1.00 0.00 C ATOM 438 CG GLN A 31 1.364 -2.373 8.906 1.00 0.00 C ATOM 439 CD GLN A 31 0.116 -2.799 8.159 1.00 0.00 C ATOM 440 OE1 GLN A 31 -1.004 -2.563 8.613 1.00 0.00 O ATOM 441 NE2 GLN A 31 0.302 -3.431 7.006 1.00 0.00 N ATOM 0 H GLN A 31 3.091 1.513 9.744 1.00 0.00 H new ATOM 0 HA GLN A 31 1.775 -0.727 11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.545 -0.397 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.059 -0.534 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.238 -2.815 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.325 -2.764 9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.248 -3.606 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.501 -3.742 6.459 1.00 0.00 H new ATOM 450 N CYS A 32 4.465 -0.600 9.153 1.00 0.00 N ATOM 451 CA CYS A 32 5.840 -1.069 9.031 1.00 0.00 C ATOM 452 C CYS A 32 6.785 -0.208 9.865 1.00 0.00 C ATOM 453 O CYS A 32 7.848 -0.664 10.284 1.00 0.00 O ATOM 454 CB CYS A 32 6.279 -1.054 7.565 1.00 0.00 C ATOM 455 SG CYS A 32 6.515 0.616 6.877 1.00 0.00 S ATOM 0 H CYS A 32 4.152 -0.009 8.383 1.00 0.00 H new ATOM 0 HA CYS A 32 5.882 -2.092 9.405 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.212 -1.610 7.471 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.533 -1.579 6.968 1.00 0.00 H new ATOM 0 HG CYS A 32 6.005 0.669 5.682 1.00 0.00 H new ATOM 460 N GLU A 33 6.387 1.039 10.101 1.00 0.00 N ATOM 461 CA GLU A 33 7.199 1.963 10.884 1.00 0.00 C ATOM 462 C GLU A 33 8.530 2.240 10.191 1.00 0.00 C ATOM 463 O GLU A 33 9.598 1.985 10.747 1.00 0.00 O ATOM 464 CB GLU A 33 7.448 1.398 12.284 1.00 0.00 C ATOM 465 CG GLU A 33 7.783 2.459 13.318 1.00 0.00 C ATOM 466 CD GLU A 33 8.668 1.931 14.431 1.00 0.00 C ATOM 467 OE1 GLU A 33 8.166 1.153 15.269 1.00 0.00 O ATOM 468 OE2 GLU A 33 9.862 2.295 14.462 1.00 0.00 O ATOM 0 H GLU A 33 5.509 1.432 9.762 1.00 0.00 H new ATOM 0 HA GLU A 33 6.652 2.902 10.971 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.562 0.853 12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.265 0.679 12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.282 3.294 12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.859 2.847 13.747 1.00 0.00 H new ATOM 475 N LYS A 34 8.457 2.764 8.972 1.00 0.00 N ATOM 476 CA LYS A 34 9.655 3.077 8.201 1.00 0.00 C ATOM 477 C LYS A 34 9.606 4.508 7.677 1.00 0.00 C ATOM 478 O LYS A 34 8.612 4.927 7.083 1.00 0.00 O ATOM 479 CB LYS A 34 9.804 2.099 7.033 1.00 0.00 C ATOM 480 CG LYS A 34 10.146 0.684 7.464 1.00 0.00 C ATOM 481 CD LYS A 34 11.096 0.016 6.484 1.00 0.00 C ATOM 482 CE LYS A 34 11.078 -1.497 6.633 1.00 0.00 C ATOM 483 NZ LYS A 34 12.286 -2.000 7.343 1.00 0.00 N ATOM 0 H LYS A 34 7.581 2.981 8.497 1.00 0.00 H new ATOM 0 HA LYS A 34 10.517 2.980 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.875 2.082 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.582 2.463 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.599 0.704 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.232 0.096 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.818 0.286 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.108 0.387 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.184 -1.797 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.018 -1.958 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.235 -3.036 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.138 -1.736 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.330 -1.580 8.294 1.00 0.00 H new ATOM 497 N GLU A 35 10.684 5.253 7.898 1.00 0.00 N ATOM 498 CA GLU A 35 10.763 6.637 7.447 1.00 0.00 C ATOM 499 C GLU A 35 10.423 6.745 5.963 1.00 0.00 C ATOM 500 O GLU A 35 10.962 6.009 5.136 1.00 0.00 O ATOM 501 CB GLU A 35 12.161 7.202 7.704 1.00 0.00 C ATOM 502 CG GLU A 35 12.232 8.717 7.608 1.00 0.00 C ATOM 503 CD GLU A 35 13.650 9.243 7.720 1.00 0.00 C ATOM 504 OE1 GLU A 35 14.121 9.437 8.861 1.00 0.00 O ATOM 505 OE2 GLU A 35 14.289 9.459 6.669 1.00 0.00 O ATOM 0 H GLU A 35 11.515 4.921 8.387 1.00 0.00 H new ATOM 0 HA GLU A 35 10.035 7.219 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.492 6.893 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.857 6.768 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.804 9.038 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.622 9.156 8.397 1.00 0.00 H new ATOM 512 N PHE A 36 9.526 7.668 5.634 1.00 0.00 N ATOM 513 CA PHE A 36 9.112 7.873 4.250 1.00 0.00 C ATOM 514 C PHE A 36 10.204 8.583 3.456 1.00 0.00 C ATOM 515 O PHE A 36 10.660 9.662 3.835 1.00 0.00 O ATOM 516 CB PHE A 36 7.817 8.686 4.198 1.00 0.00 C ATOM 517 CG PHE A 36 6.597 7.894 4.574 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.026 7.008 3.676 1.00 0.00 C ATOM 519 CD2 PHE A 36 6.021 8.038 5.827 1.00 0.00 C ATOM 520 CE1 PHE A 36 4.903 6.278 4.020 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.899 7.310 6.176 1.00 0.00 C ATOM 522 CZ PHE A 36 4.339 6.430 5.271 1.00 0.00 C ATOM 0 H PHE A 36 9.072 8.286 6.306 1.00 0.00 H new ATOM 0 HA PHE A 36 8.937 6.896 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.907 9.541 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.687 9.083 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.463 6.886 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.454 8.726 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.468 5.590 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.461 7.429 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.461 5.862 5.541 1.00 0.00 H new ATOM 532 N SER A 37 10.618 7.970 2.352 1.00 0.00 N ATOM 533 CA SER A 37 11.660 8.540 1.505 1.00 0.00 C ATOM 534 C SER A 37 11.053 9.217 0.280 1.00 0.00 C ATOM 535 O SER A 37 9.907 8.952 -0.085 1.00 0.00 O ATOM 536 CB SER A 37 12.643 7.453 1.068 1.00 0.00 C ATOM 537 OG SER A 37 13.804 7.459 1.880 1.00 0.00 O ATOM 0 H SER A 37 10.248 7.078 2.023 1.00 0.00 H new ATOM 0 HA SER A 37 12.196 9.291 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.160 6.477 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.923 7.609 0.026 1.00 0.00 H new ATOM 0 HG SER A 37 14.416 6.754 1.581 1.00 0.00 H new ATOM 543 N ILE A 38 11.831 10.091 -0.351 1.00 0.00 N ATOM 544 CA ILE A 38 11.371 10.805 -1.536 1.00 0.00 C ATOM 545 C ILE A 38 10.838 9.838 -2.588 1.00 0.00 C ATOM 546 O ILE A 38 9.867 10.135 -3.283 1.00 0.00 O ATOM 547 CB ILE A 38 12.499 11.650 -2.156 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.036 12.654 -1.133 1.00 0.00 C ATOM 549 CG2 ILE A 38 12.000 12.369 -3.400 1.00 0.00 C ATOM 550 CD1 ILE A 38 12.006 13.666 -0.683 1.00 0.00 C ATOM 0 H ILE A 38 12.782 10.321 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 38 10.567 11.467 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 38 13.313 10.985 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.405 12.112 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.887 13.181 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.809 12.962 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.662 11.636 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.171 13.025 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.456 14.345 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.654 14.234 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.165 13.149 -0.221 1.00 0.00 H new ATOM 562 N SER A 39 11.480 8.680 -2.698 1.00 0.00 N ATOM 563 CA SER A 39 11.072 7.669 -3.667 1.00 0.00 C ATOM 564 C SER A 39 9.929 6.820 -3.118 1.00 0.00 C ATOM 565 O SER A 39 9.092 6.324 -3.872 1.00 0.00 O ATOM 566 CB SER A 39 12.257 6.774 -4.032 1.00 0.00 C ATOM 567 OG SER A 39 12.757 6.098 -2.891 1.00 0.00 O ATOM 0 H SER A 39 12.285 8.418 -2.128 1.00 0.00 H new ATOM 0 HA SER A 39 10.723 8.181 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.949 6.047 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.048 7.377 -4.477 1.00 0.00 H new ATOM 0 HG SER A 39 13.513 5.531 -3.152 1.00 0.00 H new ATOM 573 N ARG A 40 9.902 6.658 -1.799 1.00 0.00 N ATOM 574 CA ARG A 40 8.864 5.868 -1.148 1.00 0.00 C ATOM 575 C ARG A 40 7.739 6.764 -0.637 1.00 0.00 C ATOM 576 O ARG A 40 7.492 6.842 0.567 1.00 0.00 O ATOM 577 CB ARG A 40 9.457 5.064 0.012 1.00 0.00 C ATOM 578 CG ARG A 40 8.671 3.807 0.346 1.00 0.00 C ATOM 579 CD ARG A 40 9.564 2.576 0.349 1.00 0.00 C ATOM 580 NE ARG A 40 8.857 1.386 -0.115 1.00 0.00 N ATOM 581 CZ ARG A 40 8.490 1.194 -1.377 1.00 0.00 C ATOM 582 NH1 ARG A 40 8.763 2.109 -2.296 1.00 0.00 N ATOM 583 NH2 ARG A 40 7.850 0.084 -1.722 1.00 0.00 N ATOM 0 H ARG A 40 10.587 7.063 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 40 8.451 5.179 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.482 4.787 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.504 5.699 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.201 3.919 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.869 3.674 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.430 2.755 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.941 2.404 1.357 1.00 0.00 H new ATOM 0 HE ARG A 40 8.632 0.662 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.256 2.963 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.480 1.959 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.639 -0.623 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.569 -0.062 -2.691 1.00 0.00 H new ATOM 597 N ARG A 41 7.062 7.438 -1.560 1.00 0.00 N ATOM 598 CA ARG A 41 5.965 8.330 -1.203 1.00 0.00 C ATOM 599 C ARG A 41 4.885 7.580 -0.429 1.00 0.00 C ATOM 600 O ARG A 41 4.864 6.350 -0.405 1.00 0.00 O ATOM 601 CB ARG A 41 5.362 8.960 -2.460 1.00 0.00 C ATOM 602 CG ARG A 41 6.349 9.801 -3.254 1.00 0.00 C ATOM 603 CD ARG A 41 6.186 11.282 -2.953 1.00 0.00 C ATOM 604 NE ARG A 41 5.416 11.969 -3.987 1.00 0.00 N ATOM 605 CZ ARG A 41 5.044 13.241 -3.903 1.00 0.00 C ATOM 606 NH1 ARG A 41 5.369 13.962 -2.838 1.00 0.00 N ATOM 607 NH2 ARG A 41 4.344 13.796 -4.885 1.00 0.00 N ATOM 0 H ARG A 41 7.253 7.384 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 41 6.364 9.119 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.973 8.169 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.515 9.583 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.367 9.490 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.202 9.627 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.690 11.404 -1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.169 11.745 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 41 5.149 11.443 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.906 13.540 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.082 14.939 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.091 13.245 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.059 14.773 -4.819 1.00 0.00 H new ATOM 621 N LYS A 42 3.989 8.331 0.204 1.00 0.00 N ATOM 622 CA LYS A 42 2.905 7.739 0.979 1.00 0.00 C ATOM 623 C LYS A 42 1.637 7.622 0.140 1.00 0.00 C ATOM 624 O LYS A 42 1.492 8.295 -0.882 1.00 0.00 O ATOM 625 CB LYS A 42 2.627 8.578 2.228 1.00 0.00 C ATOM 626 CG LYS A 42 2.394 10.049 1.934 1.00 0.00 C ATOM 627 CD LYS A 42 1.848 10.782 3.148 1.00 0.00 C ATOM 628 CE LYS A 42 2.927 11.605 3.834 1.00 0.00 C ATOM 629 NZ LYS A 42 3.041 12.969 3.247 1.00 0.00 N ATOM 0 H LYS A 42 3.993 9.351 0.195 1.00 0.00 H new ATOM 0 HA LYS A 42 3.213 6.738 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.752 8.175 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.468 8.482 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.330 10.511 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.695 10.148 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.030 11.435 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.435 10.062 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.702 11.685 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.885 11.092 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.787 13.499 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.281 12.894 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.135 13.469 3.351 1.00 0.00 H new ATOM 643 N HIS A 43 0.720 6.766 0.578 1.00 0.00 N ATOM 644 CA HIS A 43 -0.538 6.563 -0.133 1.00 0.00 C ATOM 645 C HIS A 43 -1.723 6.655 0.824 1.00 0.00 C ATOM 646 O HIS A 43 -1.746 5.998 1.865 1.00 0.00 O ATOM 647 CB HIS A 43 -0.539 5.205 -0.835 1.00 0.00 C ATOM 648 CG HIS A 43 0.316 5.166 -2.064 1.00 0.00 C ATOM 649 ND1 HIS A 43 0.094 5.970 -3.162 1.00 0.00 N ATOM 650 CD2 HIS A 43 1.401 4.414 -2.365 1.00 0.00 C ATOM 651 CE1 HIS A 43 1.003 5.714 -4.085 1.00 0.00 C ATOM 652 NE2 HIS A 43 1.809 4.773 -3.626 1.00 0.00 N ATOM 0 H HIS A 43 0.824 6.202 1.421 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.635 7.350 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.192 4.444 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.563 4.946 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.860 3.670 -1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.075 6.192 -5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.605 4.378 -4.127 1.00 0.00 H new ATOM 660 N HIS A 44 -2.706 7.474 0.464 1.00 0.00 N ATOM 661 CA HIS A 44 -3.895 7.652 1.291 1.00 0.00 C ATOM 662 C HIS A 44 -4.974 6.641 0.915 1.00 0.00 C ATOM 663 O HIS A 44 -5.538 6.697 -0.178 1.00 0.00 O ATOM 664 CB HIS A 44 -4.437 9.073 1.142 1.00 0.00 C ATOM 665 CG HIS A 44 -4.377 9.872 2.408 1.00 0.00 C ATOM 666 ND1 HIS A 44 -4.146 11.231 2.429 1.00 0.00 N ATOM 667 CD2 HIS A 44 -4.522 9.496 3.700 1.00 0.00 C ATOM 668 CE1 HIS A 44 -4.149 11.657 3.680 1.00 0.00 C ATOM 669 NE2 HIS A 44 -4.376 10.623 4.471 1.00 0.00 N ATOM 0 H HIS A 44 -2.703 8.025 -0.394 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.613 7.486 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.870 9.590 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.471 9.025 0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.716 8.496 4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.993 12.676 4.001 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.433 10.657 5.489 1.00 0.00 H new ATOM 677 N CYS A 45 -5.256 5.717 1.827 1.00 0.00 N ATOM 678 CA CYS A 45 -6.266 4.692 1.592 1.00 0.00 C ATOM 679 C CYS A 45 -7.593 5.322 1.177 1.00 0.00 C ATOM 680 O CYS A 45 -7.956 6.398 1.651 1.00 0.00 O ATOM 681 CB CYS A 45 -6.463 3.843 2.849 1.00 0.00 C ATOM 682 SG CYS A 45 -7.251 2.230 2.540 1.00 0.00 S ATOM 0 H CYS A 45 -4.799 5.657 2.737 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.918 4.053 0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.493 3.678 3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.071 4.402 3.561 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.718 1.331 3.314 1.00 0.00 H new ATOM 687 N ARG A 46 -8.312 4.643 0.289 1.00 0.00 N ATOM 688 CA ARG A 46 -9.597 5.135 -0.191 1.00 0.00 C ATOM 689 C ARG A 46 -10.748 4.470 0.558 1.00 0.00 C ATOM 690 O ARG A 46 -11.887 4.469 0.092 1.00 0.00 O ATOM 691 CB ARG A 46 -9.737 4.881 -1.693 1.00 0.00 C ATOM 692 CG ARG A 46 -8.927 5.839 -2.551 1.00 0.00 C ATOM 693 CD ARG A 46 -7.597 5.228 -2.965 1.00 0.00 C ATOM 694 NE ARG A 46 -6.998 5.935 -4.094 1.00 0.00 N ATOM 695 CZ ARG A 46 -5.726 5.799 -4.454 1.00 0.00 C ATOM 696 NH1 ARG A 46 -4.925 4.987 -3.779 1.00 0.00 N ATOM 697 NH2 ARG A 46 -5.254 6.477 -5.493 1.00 0.00 N ATOM 0 H ARG A 46 -8.026 3.750 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.638 6.208 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.425 3.859 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.788 4.959 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.499 6.105 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.749 6.762 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.910 5.248 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.746 4.181 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.588 6.567 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.284 4.464 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.949 4.885 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.868 7.102 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.278 6.373 -5.769 1.00 0.00 H new ATOM 711 N ASN A 47 -10.442 3.904 1.721 1.00 0.00 N ATOM 712 CA ASN A 47 -11.451 3.235 2.534 1.00 0.00 C ATOM 713 C ASN A 47 -11.392 3.717 3.980 1.00 0.00 C ATOM 714 O ASN A 47 -12.293 4.412 4.451 1.00 0.00 O ATOM 715 CB ASN A 47 -11.253 1.718 2.482 1.00 0.00 C ATOM 716 CG ASN A 47 -12.396 0.963 3.132 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.460 1.527 3.389 1.00 0.00 O ATOM 718 ND2 ASN A 47 -12.181 -0.319 3.402 1.00 0.00 N ATOM 0 H ASN A 47 -9.504 3.895 2.121 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.432 3.482 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.157 1.402 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.319 1.459 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.913 -0.878 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.283 -0.745 3.171 1.00 0.00 H new ATOM 725 N CYS A 48 -10.326 3.345 4.680 1.00 0.00 N ATOM 726 CA CYS A 48 -10.148 3.739 6.072 1.00 0.00 C ATOM 727 C CYS A 48 -9.615 5.165 6.170 1.00 0.00 C ATOM 728 O CYS A 48 -9.837 5.856 7.163 1.00 0.00 O ATOM 729 CB CYS A 48 -9.192 2.776 6.779 1.00 0.00 C ATOM 730 SG CYS A 48 -7.495 2.793 6.116 1.00 0.00 S ATOM 0 H CYS A 48 -9.571 2.770 4.305 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.121 3.699 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.159 3.027 7.839 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.590 1.764 6.703 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.525 2.539 4.841 1.00 0.00 H new ATOM 735 N GLY A 49 -8.909 5.600 5.130 1.00 0.00 N ATOM 736 CA GLY A 49 -8.356 6.941 5.118 1.00 0.00 C ATOM 737 C GLY A 49 -7.199 7.100 6.084 1.00 0.00 C ATOM 738 O GLY A 49 -7.267 7.896 7.021 1.00 0.00 O ATOM 0 H GLY A 49 -8.711 5.047 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.019 7.183 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.139 7.656 5.373 1.00 0.00 H new ATOM 742 N HIS A 50 -6.132 6.339 5.858 1.00 0.00 N ATOM 743 CA HIS A 50 -4.955 6.397 6.718 1.00 0.00 C ATOM 744 C HIS A 50 -3.684 6.545 5.888 1.00 0.00 C ATOM 745 O HIS A 50 -3.723 6.487 4.658 1.00 0.00 O ATOM 746 CB HIS A 50 -4.868 5.141 7.586 1.00 0.00 C ATOM 747 CG HIS A 50 -5.715 5.206 8.819 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.189 5.206 10.094 1.00 0.00 N ATOM 749 CD2 HIS A 50 -7.059 5.275 8.968 1.00 0.00 C ATOM 750 CE1 HIS A 50 -6.173 5.270 10.974 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.318 5.314 10.316 1.00 0.00 N ATOM 0 H HIS A 50 -6.059 5.675 5.087 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.050 7.269 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.170 4.278 6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.830 4.981 7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.791 5.296 8.174 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.060 5.284 12.048 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.244 5.368 10.740 1.00 0.00 H new ATOM 759 N ILE A 51 -2.558 6.738 6.568 1.00 0.00 N ATOM 760 CA ILE A 51 -1.276 6.894 5.893 1.00 0.00 C ATOM 761 C ILE A 51 -0.507 5.578 5.862 1.00 0.00 C ATOM 762 O ILE A 51 -0.240 4.978 6.903 1.00 0.00 O ATOM 763 CB ILE A 51 -0.407 7.967 6.575 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.140 9.310 6.596 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.930 8.098 5.863 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.431 9.861 5.218 1.00 0.00 C ATOM 0 H ILE A 51 -2.508 6.790 7.585 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.494 7.209 4.873 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.219 7.661 7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.079 9.194 7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.540 10.033 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.532 8.860 6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.455 7.143 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.763 8.385 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.952 10.814 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.495 10.009 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.057 9.157 4.669 1.00 0.00 H new ATOM 778 N PHE A 52 -0.152 5.134 4.661 1.00 0.00 N ATOM 779 CA PHE A 52 0.587 3.888 4.493 1.00 0.00 C ATOM 780 C PHE A 52 1.528 3.971 3.295 1.00 0.00 C ATOM 781 O PHE A 52 1.314 4.763 2.376 1.00 0.00 O ATOM 782 CB PHE A 52 -0.380 2.716 4.317 1.00 0.00 C ATOM 783 CG PHE A 52 -1.155 2.385 5.561 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.519 1.840 6.664 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.518 2.621 5.627 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.229 1.534 7.809 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.234 2.318 6.769 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.588 1.774 7.863 1.00 0.00 C ATOM 0 H PHE A 52 -0.364 5.619 3.789 1.00 0.00 H new ATOM 0 HA PHE A 52 1.184 3.725 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.079 2.950 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.182 1.836 4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.544 1.652 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.027 3.047 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.721 1.107 8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.297 2.506 6.807 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.144 1.537 8.758 1.00 0.00 H new ATOM 798 N CYS A 53 2.571 3.148 3.311 1.00 0.00 N ATOM 799 CA CYS A 53 3.546 3.127 2.228 1.00 0.00 C ATOM 800 C CYS A 53 3.188 2.064 1.194 1.00 0.00 C ATOM 801 O CYS A 53 2.397 1.161 1.465 1.00 0.00 O ATOM 802 CB CYS A 53 4.949 2.864 2.781 1.00 0.00 C ATOM 803 SG CYS A 53 5.158 1.213 3.520 1.00 0.00 S ATOM 0 H CYS A 53 2.763 2.486 4.063 1.00 0.00 H new ATOM 0 HA CYS A 53 3.531 4.102 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.674 2.985 1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.179 3.619 3.533 1.00 0.00 H new ATOM 0 HG CYS A 53 4.062 0.868 4.128 1.00 0.00 H new ATOM 808 N ASN A 54 3.776 2.179 0.007 1.00 0.00 N ATOM 809 CA ASN A 54 3.518 1.228 -1.068 1.00 0.00 C ATOM 810 C ASN A 54 3.794 -0.201 -0.609 1.00 0.00 C ATOM 811 O ASN A 54 3.202 -1.154 -1.117 1.00 0.00 O ATOM 812 CB ASN A 54 4.382 1.559 -2.287 1.00 0.00 C ATOM 813 CG ASN A 54 3.668 1.275 -3.595 1.00 0.00 C ATOM 814 OD1 ASN A 54 2.493 1.602 -3.758 1.00 0.00 O ATOM 815 ND2 ASN A 54 4.379 0.662 -4.535 1.00 0.00 N ATOM 0 H ASN A 54 4.434 2.921 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 54 2.466 1.306 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.667 2.611 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.303 0.978 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.953 0.444 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.351 0.409 -4.356 1.00 0.00 H new ATOM 822 N THR A 55 4.697 -0.342 0.357 1.00 0.00 N ATOM 823 CA THR A 55 5.052 -1.653 0.885 1.00 0.00 C ATOM 824 C THR A 55 3.910 -2.244 1.704 1.00 0.00 C ATOM 825 O THR A 55 3.767 -3.463 1.799 1.00 0.00 O ATOM 826 CB THR A 55 6.315 -1.582 1.763 1.00 0.00 C ATOM 827 OG1 THR A 55 7.140 -0.488 1.347 1.00 0.00 O ATOM 828 CG2 THR A 55 7.105 -2.879 1.682 1.00 0.00 C ATOM 0 H THR A 55 5.195 0.436 0.789 1.00 0.00 H new ATOM 0 HA THR A 55 5.251 -2.296 0.027 1.00 0.00 H new ATOM 0 HB THR A 55 6.004 -1.429 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.890 0.318 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.992 -2.804 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.484 -3.705 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.406 -3.058 0.650 1.00 0.00 H new ATOM 836 N CYS A 56 3.098 -1.373 2.292 1.00 0.00 N ATOM 837 CA CYS A 56 1.967 -1.807 3.104 1.00 0.00 C ATOM 838 C CYS A 56 0.677 -1.797 2.288 1.00 0.00 C ATOM 839 O CYS A 56 -0.260 -2.540 2.580 1.00 0.00 O ATOM 840 CB CYS A 56 1.816 -0.905 4.330 1.00 0.00 C ATOM 841 SG CYS A 56 3.184 -1.040 5.525 1.00 0.00 S ATOM 0 H CYS A 56 3.202 -0.361 2.222 1.00 0.00 H new ATOM 0 HA CYS A 56 2.159 -2.828 3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.738 0.130 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.881 -1.149 4.835 1.00 0.00 H new ATOM 0 HG CYS A 56 3.387 0.116 6.085 1.00 0.00 H new ATOM 846 N SER A 57 0.637 -0.949 1.266 1.00 0.00 N ATOM 847 CA SER A 57 -0.539 -0.839 0.410 1.00 0.00 C ATOM 848 C SER A 57 -0.239 -1.356 -0.994 1.00 0.00 C ATOM 849 O SER A 57 -0.441 -0.652 -1.983 1.00 0.00 O ATOM 850 CB SER A 57 -1.011 0.615 0.340 1.00 0.00 C ATOM 851 OG SER A 57 0.028 1.467 -0.111 1.00 0.00 O ATOM 0 H SER A 57 1.405 -0.328 1.010 1.00 0.00 H new ATOM 0 HA SER A 57 -1.331 -1.450 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.866 0.691 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.350 0.939 1.324 1.00 0.00 H new ATOM 0 HG SER A 57 0.769 1.447 0.530 1.00 0.00 H new ATOM 857 N SER A 58 0.244 -2.592 -1.072 1.00 0.00 N ATOM 858 CA SER A 58 0.575 -3.204 -2.353 1.00 0.00 C ATOM 859 C SER A 58 -0.559 -4.104 -2.835 1.00 0.00 C ATOM 860 O SER A 58 -0.323 -5.142 -3.451 1.00 0.00 O ATOM 861 CB SER A 58 1.869 -4.012 -2.237 1.00 0.00 C ATOM 862 OG SER A 58 1.656 -5.215 -1.519 1.00 0.00 O ATOM 0 H SER A 58 0.415 -3.189 -0.263 1.00 0.00 H new ATOM 0 HA SER A 58 0.717 -2.407 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.249 -4.241 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.630 -3.415 -1.735 1.00 0.00 H new ATOM 0 HG SER A 58 2.497 -5.714 -1.460 1.00 0.00 H new ATOM 868 N ASN A 59 -1.791 -3.697 -2.549 1.00 0.00 N ATOM 869 CA ASN A 59 -2.963 -4.466 -2.952 1.00 0.00 C ATOM 870 C ASN A 59 -4.121 -3.542 -3.318 1.00 0.00 C ATOM 871 O ASN A 59 -4.169 -2.391 -2.886 1.00 0.00 O ATOM 872 CB ASN A 59 -3.388 -5.414 -1.828 1.00 0.00 C ATOM 873 CG ASN A 59 -2.230 -6.239 -1.300 1.00 0.00 C ATOM 874 OD1 ASN A 59 -1.848 -7.246 -1.896 1.00 0.00 O ATOM 875 ND2 ASN A 59 -1.667 -5.815 -0.175 1.00 0.00 N ATOM 0 H ASN A 59 -2.004 -2.839 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.697 -5.052 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.820 -4.835 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.169 -6.081 -2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.885 -6.330 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.017 -4.975 0.285 1.00 0.00 H new ATOM 882 N GLU A 60 -5.052 -4.056 -4.116 1.00 0.00 N ATOM 883 CA GLU A 60 -6.209 -3.277 -4.539 1.00 0.00 C ATOM 884 C GLU A 60 -7.498 -4.072 -4.353 1.00 0.00 C ATOM 885 O GLU A 60 -7.475 -5.299 -4.248 1.00 0.00 O ATOM 886 CB GLU A 60 -6.062 -2.859 -6.004 1.00 0.00 C ATOM 887 CG GLU A 60 -4.839 -1.997 -6.271 1.00 0.00 C ATOM 888 CD GLU A 60 -3.825 -2.685 -7.164 1.00 0.00 C ATOM 889 OE1 GLU A 60 -4.204 -3.108 -8.276 1.00 0.00 O ATOM 890 OE2 GLU A 60 -2.652 -2.801 -6.750 1.00 0.00 O ATOM 0 H GLU A 60 -5.027 -5.008 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.260 -2.384 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.008 -3.753 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.955 -2.313 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.152 -1.062 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.367 -1.739 -5.323 1.00 0.00 H new ATOM 897 N LEU A 61 -8.622 -3.364 -4.311 1.00 0.00 N ATOM 898 CA LEU A 61 -9.922 -4.002 -4.137 1.00 0.00 C ATOM 899 C LEU A 61 -11.033 -3.146 -4.735 1.00 0.00 C ATOM 900 O LEU A 61 -11.026 -1.922 -4.606 1.00 0.00 O ATOM 901 CB LEU A 61 -10.196 -4.248 -2.652 1.00 0.00 C ATOM 902 CG LEU A 61 -11.073 -5.457 -2.323 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.322 -6.751 -2.595 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.535 -5.401 -0.874 1.00 0.00 C ATOM 0 H LEU A 61 -8.659 -2.348 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.903 -4.958 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.240 -4.368 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.669 -3.358 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.953 -5.430 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.962 -7.600 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.041 -6.794 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.424 -6.787 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.158 -6.269 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.667 -5.404 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.112 -4.491 -0.711 1.00 0.00 H new ATOM 916 N ALA A 62 -11.989 -3.799 -5.389 1.00 0.00 N ATOM 917 CA ALA A 62 -13.109 -3.098 -6.004 1.00 0.00 C ATOM 918 C ALA A 62 -14.186 -2.774 -4.974 1.00 0.00 C ATOM 919 O ALA A 62 -14.946 -3.650 -4.558 1.00 0.00 O ATOM 920 CB ALA A 62 -13.693 -3.929 -7.137 1.00 0.00 C ATOM 0 H ALA A 62 -12.010 -4.812 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.738 -2.158 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.529 -3.394 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.926 -4.106 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.043 -4.884 -6.745 1.00 0.00 H new ATOM 926 N LEU A 63 -14.246 -1.511 -4.565 1.00 0.00 N ATOM 927 CA LEU A 63 -15.230 -1.071 -3.582 1.00 0.00 C ATOM 928 C LEU A 63 -16.516 -0.617 -4.265 1.00 0.00 C ATOM 929 O LEU A 63 -16.532 -0.275 -5.447 1.00 0.00 O ATOM 930 CB LEU A 63 -14.659 0.067 -2.734 1.00 0.00 C ATOM 931 CG LEU A 63 -13.768 -0.349 -1.564 1.00 0.00 C ATOM 932 CD1 LEU A 63 -12.724 0.720 -1.280 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.607 -0.620 -0.324 1.00 0.00 C ATOM 0 H LEU A 63 -13.625 -0.774 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.464 -1.916 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.085 0.726 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.490 0.653 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.251 -1.269 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.099 0.406 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.102 0.865 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.221 1.657 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.956 -0.915 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.152 0.283 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.315 -1.422 -0.532 1.00 0.00 H new ATOM 945 N PRO A 64 -17.620 -0.610 -3.503 1.00 0.00 N ATOM 946 CA PRO A 64 -18.931 -0.197 -4.013 1.00 0.00 C ATOM 947 C PRO A 64 -18.997 1.301 -4.295 1.00 0.00 C ATOM 948 O PRO A 64 -19.898 1.772 -4.988 1.00 0.00 O ATOM 949 CB PRO A 64 -19.887 -0.570 -2.877 1.00 0.00 C ATOM 950 CG PRO A 64 -19.041 -0.557 -1.650 1.00 0.00 C ATOM 951 CD PRO A 64 -17.674 -1.005 -2.085 1.00 0.00 C ATOM 0 HA PRO A 64 -19.169 -0.676 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.707 0.143 -2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.332 -1.551 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.004 0.441 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.447 -1.224 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.889 -0.522 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.546 -2.080 -1.962 1.00 0.00 H new ATOM 959 N SER A 65 -18.038 2.043 -3.752 1.00 0.00 N ATOM 960 CA SER A 65 -17.990 3.488 -3.943 1.00 0.00 C ATOM 961 C SER A 65 -17.444 3.836 -5.325 1.00 0.00 C ATOM 962 O SER A 65 -18.062 4.591 -6.076 1.00 0.00 O ATOM 963 CB SER A 65 -17.124 4.138 -2.862 1.00 0.00 C ATOM 964 OG SER A 65 -16.846 5.492 -3.177 1.00 0.00 O ATOM 0 H SER A 65 -17.284 1.668 -3.177 1.00 0.00 H new ATOM 0 HA SER A 65 -19.007 3.874 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.634 4.082 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.190 3.586 -2.759 1.00 0.00 H new ATOM 0 HG SER A 65 -16.292 5.885 -2.470 1.00 0.00 H new ATOM 970 N TYR A 66 -16.283 3.280 -5.652 1.00 0.00 N ATOM 971 CA TYR A 66 -15.652 3.533 -6.942 1.00 0.00 C ATOM 972 C TYR A 66 -15.967 2.414 -7.931 1.00 0.00 C ATOM 973 O TYR A 66 -16.239 1.275 -7.553 1.00 0.00 O ATOM 974 CB TYR A 66 -14.137 3.668 -6.774 1.00 0.00 C ATOM 975 CG TYR A 66 -13.728 4.801 -5.860 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.581 6.094 -6.347 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.490 4.578 -4.510 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.207 7.132 -5.515 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.117 5.610 -3.670 1.00 0.00 C ATOM 980 CZ TYR A 66 -12.976 6.885 -4.178 1.00 0.00 C ATOM 981 OH TYR A 66 -12.604 7.916 -3.346 1.00 0.00 O ATOM 0 H TYR A 66 -15.760 2.652 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.052 4.467 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.739 2.733 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.683 3.820 -7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.762 6.291 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.598 3.581 -4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.096 8.131 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.937 5.420 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.481 7.574 -2.436 1.00 0.00 H new ATOM 991 N PRO A 67 -15.930 2.747 -9.230 1.00 0.00 N ATOM 992 CA PRO A 67 -16.207 1.786 -10.301 1.00 0.00 C ATOM 993 C PRO A 67 -15.110 0.736 -10.438 1.00 0.00 C ATOM 994 O PRO A 67 -15.388 -0.446 -10.639 1.00 0.00 O ATOM 995 CB PRO A 67 -16.269 2.661 -11.556 1.00 0.00 C ATOM 996 CG PRO A 67 -15.437 3.853 -11.227 1.00 0.00 C ATOM 997 CD PRO A 67 -15.613 4.087 -9.753 1.00 0.00 C ATOM 0 HA PRO A 67 -17.119 1.220 -10.113 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.879 2.133 -12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.295 2.946 -11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.389 3.677 -11.472 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.757 4.723 -11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.708 4.492 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.415 4.797 -9.552 1.00 0.00 H new ATOM 1005 N LYS A 68 -13.861 1.175 -10.326 1.00 0.00 N ATOM 1006 CA LYS A 68 -12.720 0.274 -10.434 1.00 0.00 C ATOM 1007 C LYS A 68 -11.984 0.165 -9.103 1.00 0.00 C ATOM 1008 O LYS A 68 -12.075 1.041 -8.242 1.00 0.00 O ATOM 1009 CB LYS A 68 -11.760 0.762 -11.521 1.00 0.00 C ATOM 1010 CG LYS A 68 -11.548 2.267 -11.515 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.220 2.646 -12.149 1.00 0.00 C ATOM 1012 CE LYS A 68 -9.929 4.130 -11.987 1.00 0.00 C ATOM 1013 NZ LYS A 68 -9.857 4.827 -13.301 1.00 0.00 N ATOM 0 H LYS A 68 -13.613 2.150 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.094 -0.714 -10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.797 0.267 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.145 0.462 -12.496 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.361 2.752 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.581 2.636 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.419 2.065 -11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.235 2.391 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.706 4.588 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.987 4.259 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.657 5.836 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.099 4.407 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.765 4.725 -13.798 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.236 -0.935 -8.928 1.00 0.00 N ATOM 1028 CA PRO A 69 -10.468 -1.183 -7.704 1.00 0.00 C ATOM 1029 C PRO A 69 -9.282 -0.234 -7.561 1.00 0.00 C ATOM 1030 O PRO A 69 -8.490 -0.070 -8.489 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.981 -2.624 -7.876 1.00 0.00 C ATOM 1032 CG PRO A 69 -9.953 -2.840 -9.350 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.081 -2.020 -9.911 1.00 0.00 C ATOM 0 HA PRO A 69 -11.068 -1.025 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.993 -2.763 -7.436 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.651 -3.330 -7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.997 -2.529 -9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.080 -3.895 -9.592 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.843 -1.633 -10.902 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -11.994 -2.607 -10.009 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.166 0.389 -6.392 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.076 1.320 -6.127 1.00 0.00 C ATOM 1043 C VAL A 70 -7.044 0.705 -5.190 1.00 0.00 C ATOM 1044 O VAL A 70 -7.175 -0.446 -4.774 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.596 2.632 -5.511 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.330 3.460 -6.556 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.498 2.340 -4.321 1.00 0.00 C ATOM 0 H VAL A 70 -9.814 0.265 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.606 1.539 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.742 3.211 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.690 4.383 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.650 3.699 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.176 2.892 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.857 3.278 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.348 1.741 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.936 1.792 -3.565 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.016 1.481 -4.859 1.00 0.00 N ATOM 1058 CA ARG A 71 -4.960 1.012 -3.971 1.00 0.00 C ATOM 1059 C ARG A 71 -5.354 1.204 -2.509 1.00 0.00 C ATOM 1060 O ARG A 71 -5.583 2.326 -2.059 1.00 0.00 O ATOM 1061 CB ARG A 71 -3.654 1.754 -4.260 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.417 1.031 -3.753 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.147 1.605 -4.362 1.00 0.00 C ATOM 1064 NE ARG A 71 -0.819 0.976 -5.638 1.00 0.00 N ATOM 1065 CZ ARG A 71 0.110 1.438 -6.468 1.00 0.00 C ATOM 1066 NH1 ARG A 71 0.798 2.528 -6.157 1.00 0.00 N ATOM 1067 NH2 ARG A 71 0.351 0.810 -7.612 1.00 0.00 N ATOM 0 H ARG A 71 -5.893 2.437 -5.193 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.813 -0.053 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.562 1.904 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.699 2.743 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.368 1.109 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.490 -0.030 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.268 2.678 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.318 1.469 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.331 0.136 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.615 3.014 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.511 2.881 -6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.177 -0.028 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.064 1.166 -8.248 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.431 0.100 -1.772 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.796 0.146 -0.362 1.00 0.00 C ATOM 1083 C VAL A 72 -4.678 -0.407 0.514 1.00 0.00 C ATOM 1084 O VAL A 72 -3.632 -0.824 0.015 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.087 -0.648 -0.090 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.290 0.067 -0.686 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -6.969 -2.061 -0.642 1.00 0.00 C ATOM 0 H VAL A 72 -5.245 -0.837 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.964 1.194 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.232 -0.714 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.193 -0.509 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.383 1.057 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.157 0.167 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.890 -2.608 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.800 -2.018 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.133 -2.570 -0.163 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.905 -0.408 1.824 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.917 -0.910 2.771 1.00 0.00 C ATOM 1099 C CYS A 73 -4.231 -2.349 3.173 1.00 0.00 C ATOM 1100 O CYS A 73 -5.370 -2.802 3.058 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.874 -0.020 4.014 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.356 -0.140 5.067 1.00 0.00 S ATOM 0 H CYS A 73 -5.765 -0.067 2.253 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.942 -0.891 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.998 -0.284 4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.747 1.016 3.701 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.873 1.042 5.224 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.214 -3.061 3.644 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.380 -4.447 4.064 1.00 0.00 C ATOM 1109 C ASP A 74 -4.446 -4.562 5.149 1.00 0.00 C ATOM 1110 O ASP A 74 -5.086 -5.603 5.297 1.00 0.00 O ATOM 1111 CB ASP A 74 -2.053 -5.011 4.574 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.894 -6.487 4.266 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.020 -6.862 3.082 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -1.644 -7.266 5.209 1.00 0.00 O ATOM 0 H ASP A 74 -2.265 -2.701 3.745 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.703 -5.026 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.229 -4.458 4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.987 -4.859 5.651 1.00 0.00 H new ATOM 1119 N SER A 75 -4.630 -3.485 5.907 1.00 0.00 N ATOM 1120 CA SER A 75 -5.615 -3.467 6.982 1.00 0.00 C ATOM 1121 C SER A 75 -7.032 -3.553 6.422 1.00 0.00 C ATOM 1122 O SER A 75 -7.944 -4.052 7.082 1.00 0.00 O ATOM 1123 CB SER A 75 -5.462 -2.196 7.820 1.00 0.00 C ATOM 1124 OG SER A 75 -5.478 -2.494 9.206 1.00 0.00 O ATOM 0 H SER A 75 -4.110 -2.614 5.796 1.00 0.00 H new ATOM 0 HA SER A 75 -5.441 -4.336 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.528 -1.697 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.269 -1.502 7.585 1.00 0.00 H new ATOM 0 HG SER A 75 -5.377 -1.666 9.720 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.210 -3.062 5.200 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.514 -3.081 4.550 1.00 0.00 C ATOM 1132 C CYS A 76 -8.629 -4.268 3.598 1.00 0.00 C ATOM 1133 O CYS A 76 -9.656 -4.946 3.555 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.746 -1.776 3.786 1.00 0.00 C ATOM 1135 SG CYS A 76 -9.040 -0.331 4.855 1.00 0.00 S ATOM 0 H CYS A 76 -6.466 -2.646 4.640 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.276 -3.182 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.879 -1.578 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.601 -1.903 3.122 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.901 0.160 5.244 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.568 -4.514 2.836 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.549 -5.619 1.884 1.00 0.00 C ATOM 1142 C HIS A 77 -7.929 -6.930 2.567 1.00 0.00 C ATOM 1143 O HIS A 77 -8.981 -7.506 2.288 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.167 -5.746 1.244 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.149 -6.612 0.023 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -5.291 -7.681 -0.129 1.00 0.00 N ATOM 1147 CD2 HIS A 77 -6.892 -6.564 -1.108 1.00 0.00 C ATOM 1148 CE1 HIS A 77 -5.506 -8.252 -1.301 1.00 0.00 C ATOM 1149 NE2 HIS A 77 -6.473 -7.593 -1.915 1.00 0.00 N ATOM 0 H HIS A 77 -6.710 -3.963 2.859 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.283 -5.408 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.806 -4.752 0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.472 -6.153 1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.670 -5.849 -1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.981 -9.111 -1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.847 -7.813 -2.838 1.00 0.00 H new ATOM 1157 N THR A 78 -7.065 -7.397 3.462 1.00 0.00 N ATOM 1158 CA THR A 78 -7.308 -8.640 4.183 1.00 0.00 C ATOM 1159 C THR A 78 -8.661 -8.613 4.886 1.00 0.00 C ATOM 1160 O THR A 78 -9.432 -9.570 4.808 1.00 0.00 O ATOM 1161 CB THR A 78 -6.206 -8.911 5.225 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.916 -8.777 4.619 1.00 0.00 O ATOM 1163 CG2 THR A 78 -6.353 -10.304 5.818 1.00 0.00 C ATOM 0 H THR A 78 -6.190 -6.933 3.705 1.00 0.00 H new ATOM 0 HA THR A 78 -7.302 -9.440 3.443 1.00 0.00 H new ATOM 0 HB THR A 78 -6.307 -8.180 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.634 -7.839 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.564 -10.473 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.325 -10.392 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.276 -11.047 5.024 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.943 -7.511 5.572 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.204 -7.358 6.289 1.00 0.00 C ATOM 1173 C LEU A 79 -11.390 -7.629 5.368 1.00 0.00 C ATOM 1174 O LEU A 79 -12.138 -8.588 5.567 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.312 -5.950 6.877 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.630 -5.613 7.575 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -11.850 -6.525 8.771 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.648 -4.153 8.004 1.00 0.00 C ATOM 0 H LEU A 79 -8.316 -6.710 5.647 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.223 -8.086 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.500 -5.813 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.155 -5.230 6.074 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.444 -5.773 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.793 -6.270 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.883 -7.562 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.032 -6.398 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.593 -3.931 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.825 -3.966 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.539 -3.515 7.127 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.556 -6.780 4.360 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.650 -6.928 3.407 1.00 0.00 C ATOM 1192 C LEU A 80 -12.678 -8.338 2.825 1.00 0.00 C ATOM 1193 O LEU A 80 -13.746 -8.908 2.601 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.514 -5.902 2.280 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.688 -4.437 2.682 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -11.745 -3.549 1.885 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.132 -3.999 2.484 1.00 0.00 C ATOM 0 H LEU A 80 -10.947 -5.982 4.182 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.586 -6.754 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.530 -6.019 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.250 -6.137 1.511 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.440 -4.337 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.883 -2.510 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.715 -3.848 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.961 -3.652 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.238 -2.954 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.406 -4.114 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.787 -4.615 3.100 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.497 -8.896 2.585 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.385 -10.242 2.031 1.00 0.00 C ATOM 1211 C LEU A 81 -11.941 -11.278 3.003 1.00 0.00 C ATOM 1212 O LEU A 81 -12.512 -12.286 2.588 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.924 -10.561 1.707 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.369 -9.939 0.425 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.858 -9.792 0.514 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.755 -10.777 -0.785 1.00 0.00 C ATOM 0 H LEU A 81 -10.603 -8.438 2.765 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.971 -10.281 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.307 -10.232 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.816 -11.643 1.638 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.804 -8.946 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.481 -9.348 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.604 -9.150 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.405 -10.773 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.352 -10.319 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.349 -11.783 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.841 -10.830 -0.859 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.770 -11.021 4.295 1.00 0.00 N ATOM 1229 CA GLN A 82 -12.256 -11.932 5.325 1.00 0.00 C ATOM 1230 C GLN A 82 -13.437 -11.324 6.075 1.00 0.00 C ATOM 1231 O GLN A 82 -13.547 -11.460 7.294 1.00 0.00 O ATOM 1232 CB GLN A 82 -11.134 -12.271 6.307 1.00 0.00 C ATOM 1233 CG GLN A 82 -9.987 -13.045 5.676 1.00 0.00 C ATOM 1234 CD GLN A 82 -10.137 -14.545 5.837 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -10.624 -15.232 4.938 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -9.718 -15.062 6.986 1.00 0.00 N ATOM 0 H GLN A 82 -11.299 -10.190 4.654 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.590 -12.847 4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.746 -11.347 6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.546 -12.855 7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.929 -12.801 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.047 -12.727 6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.321 -14.455 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.793 -16.066 7.151 1.00 0.00 H new