USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 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 33 SER OG : rot -25:sc= 1.33 USER MOD Set 1.2: A 35 HIS : no HD1:sc= -0.532 K(o=0.8,f=-3.8) USER MOD Single : A 27 MET CE :methyl -153:sc= 0 (180deg=-0.9) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.35) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.012) USER MOD Single : A 59 MET CE :methyl -168:sc= -0.0285 (180deg=-0.272) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0326 (180deg=-0.255) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -130:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 73:sc= 0.364 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.045) USER MOD Single : A 89 ASN : amide:sc= 1.13 K(o=1.1,f=-0.08) USER MOD Single : A 98 MET CE :methyl 148:sc= -0.583 (180deg=-2.04!) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.0568 (180deg=-0.361) USER MOD Single : A 102 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.227 2.893 -5.599 1.00 0.00 N ATOM 360 CA PRO A 26 -12.820 2.533 -5.375 1.00 0.00 C ATOM 361 C PRO A 26 -12.518 2.200 -3.901 1.00 0.00 C ATOM 362 O PRO A 26 -13.344 2.441 -3.017 1.00 0.00 O ATOM 363 CB PRO A 26 -12.098 3.812 -5.802 1.00 0.00 C ATOM 364 CG PRO A 26 -13.028 4.915 -5.406 1.00 0.00 C ATOM 365 CD PRO A 26 -14.432 4.355 -5.495 1.00 0.00 C ATOM 0 HA PRO A 26 -12.520 1.637 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.133 3.908 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.906 3.820 -6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.812 5.259 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.912 5.775 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.022 4.614 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.964 4.746 -6.362 1.00 0.00 H new ATOM 373 N MET A 27 -11.325 1.659 -3.635 1.00 0.00 N ATOM 374 CA MET A 27 -10.927 1.309 -2.261 1.00 0.00 C ATOM 375 C MET A 27 -9.610 1.994 -1.863 1.00 0.00 C ATOM 376 O MET A 27 -8.715 2.178 -2.690 1.00 0.00 O ATOM 377 CB MET A 27 -10.793 -0.213 -2.110 1.00 0.00 C ATOM 378 CG MET A 27 -10.513 -0.678 -0.684 1.00 0.00 C ATOM 379 SD MET A 27 -10.404 -2.475 -0.549 1.00 0.00 S ATOM 380 CE MET A 27 -10.137 -2.668 1.214 1.00 0.00 C ATOM 0 H MET A 27 -10.621 1.454 -4.344 1.00 0.00 H new ATOM 0 HA MET A 27 -11.710 1.667 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.712 -0.684 -2.460 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.989 -0.562 -2.758 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.580 -0.234 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.302 -0.315 -0.026 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.592 -3.593 1.400 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.558 -1.824 1.589 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.099 -2.704 1.726 1.00 0.00 H new ATOM 390 N ARG A 28 -9.501 2.357 -0.585 1.00 0.00 N ATOM 391 CA ARG A 28 -8.307 3.025 -0.054 1.00 0.00 C ATOM 392 C ARG A 28 -7.621 2.148 1.009 1.00 0.00 C ATOM 393 O ARG A 28 -8.225 1.810 2.028 1.00 0.00 O ATOM 394 CB ARG A 28 -8.709 4.383 0.547 1.00 0.00 C ATOM 395 CG ARG A 28 -7.540 5.323 0.807 1.00 0.00 C ATOM 396 CD ARG A 28 -8.005 6.654 1.398 1.00 0.00 C ATOM 397 NE ARG A 28 -6.946 7.659 1.374 1.00 0.00 N ATOM 398 CZ ARG A 28 -6.852 8.661 2.210 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.702 8.811 3.174 1.00 0.00 N ATOM 400 NH2 ARG A 28 -5.895 9.518 2.078 1.00 0.00 N ATOM 0 H ARG A 28 -10.231 2.199 0.109 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.597 3.185 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.411 4.873 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.237 4.210 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.836 4.848 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.006 5.506 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.865 7.020 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.336 6.500 2.425 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.228 7.574 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.462 8.141 3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.612 9.599 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.216 9.412 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.818 10.301 2.728 1.00 0.00 H new ATOM 414 N LEU A 29 -6.367 1.770 0.762 1.00 0.00 N ATOM 415 CA LEU A 29 -5.616 0.900 1.679 1.00 0.00 C ATOM 416 C LEU A 29 -4.663 1.696 2.585 1.00 0.00 C ATOM 417 O LEU A 29 -3.991 2.628 2.139 1.00 0.00 O ATOM 418 CB LEU A 29 -4.815 -0.144 0.885 1.00 0.00 C ATOM 419 CG LEU A 29 -5.641 -1.061 -0.032 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.755 -2.131 -0.666 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.792 -1.704 0.739 1.00 0.00 C ATOM 0 H LEU A 29 -5.845 2.052 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.346 0.402 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.076 0.378 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.265 -0.767 1.591 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.064 -0.450 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.360 -2.769 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.974 -1.653 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.298 -2.736 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.363 -2.348 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.392 -2.297 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.443 -0.926 1.136 1.00 0.00 H new ATOM 433 N TYR A 30 -4.611 1.310 3.857 1.00 0.00 N ATOM 434 CA TYR A 30 -3.685 1.907 4.823 1.00 0.00 C ATOM 435 C TYR A 30 -2.380 1.099 4.889 1.00 0.00 C ATOM 436 O TYR A 30 -2.352 -0.014 5.409 1.00 0.00 O ATOM 437 CB TYR A 30 -4.344 1.977 6.213 1.00 0.00 C ATOM 438 CG TYR A 30 -3.399 2.353 7.346 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.073 3.682 7.607 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.834 1.372 8.157 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.217 4.017 8.641 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.980 1.701 9.189 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.674 3.022 9.428 1.00 0.00 C ATOM 444 OH TYR A 30 -0.818 3.346 10.458 1.00 0.00 O ATOM 0 H TYR A 30 -5.205 0.579 4.248 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.445 2.919 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.156 2.703 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.791 1.009 6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.495 4.463 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.069 0.334 7.974 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.975 5.052 8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.553 0.925 9.807 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.528 2.527 10.912 1.00 0.00 H new ATOM 454 N VAL A 31 -1.308 1.651 4.337 1.00 0.00 N ATOM 455 CA VAL A 31 0.003 1.000 4.366 1.00 0.00 C ATOM 456 C VAL A 31 0.902 1.611 5.455 1.00 0.00 C ATOM 457 O VAL A 31 1.512 2.667 5.258 1.00 0.00 O ATOM 458 CB VAL A 31 0.717 1.103 2.994 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.048 0.348 3.019 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.188 0.580 1.877 1.00 0.00 C ATOM 0 H VAL A 31 -1.317 2.553 3.860 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.170 -0.052 4.594 1.00 0.00 H new ATOM 0 HB VAL A 31 0.930 2.153 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.533 0.433 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.695 0.776 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.866 -0.703 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.330 0.660 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.436 -0.464 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.104 1.171 1.844 1.00 0.00 H new ATOM 470 N GLY A 32 0.960 0.955 6.612 1.00 0.00 N ATOM 471 CA GLY A 32 1.800 1.429 7.704 1.00 0.00 C ATOM 472 C GLY A 32 3.124 0.677 7.795 1.00 0.00 C ATOM 473 O GLY A 32 3.224 -0.337 8.487 1.00 0.00 O ATOM 0 H GLY A 32 0.440 0.101 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.999 2.492 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.260 1.322 8.645 1.00 0.00 H new ATOM 477 N SER A 33 4.138 1.169 7.081 1.00 0.00 N ATOM 478 CA SER A 33 5.481 0.562 7.110 1.00 0.00 C ATOM 479 C SER A 33 6.488 1.388 6.287 1.00 0.00 C ATOM 480 O SER A 33 7.506 0.870 5.825 1.00 0.00 O ATOM 481 CB SER A 33 5.431 -0.878 6.570 1.00 0.00 C ATOM 482 OG SER A 33 6.650 -1.574 6.806 1.00 0.00 O ATOM 0 H SER A 33 4.061 1.985 6.474 1.00 0.00 H new ATOM 0 HA SER A 33 5.814 0.548 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.609 -1.415 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.225 -0.858 5.500 1.00 0.00 H new ATOM 0 HG SER A 33 7.384 -0.930 6.886 1.00 0.00 H new ATOM 488 N LEU A 34 6.213 2.677 6.109 1.00 0.00 N ATOM 489 CA LEU A 34 7.117 3.551 5.350 1.00 0.00 C ATOM 490 C LEU A 34 8.377 3.867 6.172 1.00 0.00 C ATOM 491 O LEU A 34 8.399 4.814 6.958 1.00 0.00 O ATOM 492 CB LEU A 34 6.409 4.853 4.941 1.00 0.00 C ATOM 493 CG LEU A 34 5.074 4.678 4.196 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.534 6.031 3.740 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.223 3.726 3.010 1.00 0.00 C ATOM 0 H LEU A 34 5.381 3.141 6.474 1.00 0.00 H new ATOM 0 HA LEU A 34 7.413 3.023 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.229 5.445 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.084 5.430 4.309 1.00 0.00 H new ATOM 0 HG LEU A 34 4.357 4.236 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.590 5.888 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.373 6.670 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.253 6.503 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.263 3.623 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.960 4.125 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.552 2.750 3.366 1.00 0.00 H new ATOM 507 N HIS A 35 9.425 3.062 5.989 1.00 0.00 N ATOM 508 CA HIS A 35 10.644 3.173 6.804 1.00 0.00 C ATOM 509 C HIS A 35 11.557 4.329 6.348 1.00 0.00 C ATOM 510 O HIS A 35 12.650 4.112 5.833 1.00 0.00 O ATOM 511 CB HIS A 35 11.406 1.839 6.801 1.00 0.00 C ATOM 512 CG HIS A 35 10.568 0.684 7.252 1.00 0.00 C ATOM 513 ND1 HIS A 35 10.204 0.490 8.563 1.00 0.00 N ATOM 514 CD2 HIS A 35 9.984 -0.318 6.553 1.00 0.00 C ATOM 515 CE1 HIS A 35 9.431 -0.571 8.654 1.00 0.00 C ATOM 516 NE2 HIS A 35 9.275 -1.084 7.448 1.00 0.00 N ATOM 0 H HIS A 35 9.458 2.325 5.285 1.00 0.00 H new ATOM 0 HA HIS A 35 10.334 3.405 7.823 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.776 1.641 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.277 1.924 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.061 -0.485 5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.997 -0.958 9.564 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.722 -1.910 7.219 1.00 0.00 H new ATOM 525 N PHE A 36 11.052 5.553 6.503 1.00 0.00 N ATOM 526 CA PHE A 36 11.829 6.795 6.322 1.00 0.00 C ATOM 527 C PHE A 36 12.530 6.932 4.947 1.00 0.00 C ATOM 528 O PHE A 36 13.315 7.862 4.751 1.00 0.00 O ATOM 529 CB PHE A 36 12.865 6.927 7.450 1.00 0.00 C ATOM 530 CG PHE A 36 12.256 6.897 8.830 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.557 7.992 9.320 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.375 5.771 9.632 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.994 7.965 10.581 1.00 0.00 C ATOM 534 CE2 PHE A 36 11.813 5.740 10.893 1.00 0.00 C ATOM 535 CZ PHE A 36 11.122 6.837 11.370 1.00 0.00 C ATOM 0 H PHE A 36 10.079 5.720 6.761 1.00 0.00 H new ATOM 0 HA PHE A 36 11.101 7.605 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.590 6.118 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.412 7.861 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.452 8.876 8.708 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.913 4.909 9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.454 8.824 10.950 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.914 4.857 11.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.683 6.813 12.356 1.00 0.00 H new ATOM 545 N ASN A 37 12.243 6.040 3.996 1.00 0.00 N ATOM 546 CA ASN A 37 12.845 6.137 2.653 1.00 0.00 C ATOM 547 C ASN A 37 11.980 5.454 1.575 1.00 0.00 C ATOM 548 O ASN A 37 12.396 5.315 0.425 1.00 0.00 O ATOM 549 CB ASN A 37 14.260 5.533 2.671 1.00 0.00 C ATOM 550 CG ASN A 37 15.071 5.892 1.434 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.700 6.944 1.373 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.073 5.023 0.444 1.00 0.00 N ATOM 0 H ASN A 37 11.608 5.252 4.122 1.00 0.00 H new ATOM 0 HA ASN A 37 12.903 7.194 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.787 5.881 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.186 4.448 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.608 5.216 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.540 4.157 0.524 1.00 0.00 H new ATOM 559 N ILE A 38 10.769 5.045 1.939 1.00 0.00 N ATOM 560 CA ILE A 38 9.869 4.392 0.983 1.00 0.00 C ATOM 561 C ILE A 38 9.210 5.428 0.058 1.00 0.00 C ATOM 562 O ILE A 38 8.698 6.453 0.518 1.00 0.00 O ATOM 563 CB ILE A 38 8.776 3.561 1.701 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.418 2.519 2.640 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.865 2.876 0.680 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.304 1.511 1.934 1.00 0.00 C ATOM 0 H ILE A 38 10.387 5.151 2.879 1.00 0.00 H new ATOM 0 HA ILE A 38 10.476 3.713 0.384 1.00 0.00 H new ATOM 0 HB ILE A 38 8.169 4.238 2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.008 3.040 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.627 1.985 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.104 2.297 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.384 3.631 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.458 2.212 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.716 0.815 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.716 0.961 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.118 2.032 1.430 1.00 0.00 H new ATOM 578 N THR A 39 9.242 5.166 -1.246 1.00 0.00 N ATOM 579 CA THR A 39 8.690 6.097 -2.243 1.00 0.00 C ATOM 580 C THR A 39 7.362 5.596 -2.826 1.00 0.00 C ATOM 581 O THR A 39 7.049 4.403 -2.758 1.00 0.00 O ATOM 582 CB THR A 39 9.679 6.312 -3.414 1.00 0.00 C ATOM 583 OG1 THR A 39 9.841 5.088 -4.150 1.00 0.00 O ATOM 584 CG2 THR A 39 11.041 6.790 -2.910 1.00 0.00 C ATOM 0 H THR A 39 9.644 4.317 -1.644 1.00 0.00 H new ATOM 0 HA THR A 39 8.520 7.037 -1.717 1.00 0.00 H new ATOM 0 HB THR A 39 9.265 7.081 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.467 5.232 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.713 6.932 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.922 7.735 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.461 6.045 -2.234 1.00 0.00 H new ATOM 592 N GLU A 40 6.593 6.517 -3.412 1.00 0.00 N ATOM 593 CA GLU A 40 5.343 6.175 -4.105 1.00 0.00 C ATOM 594 C GLU A 40 5.598 5.114 -5.184 1.00 0.00 C ATOM 595 O GLU A 40 4.793 4.205 -5.391 1.00 0.00 O ATOM 596 CB GLU A 40 4.713 7.421 -4.769 1.00 0.00 C ATOM 597 CG GLU A 40 4.516 8.624 -3.837 1.00 0.00 C ATOM 598 CD GLU A 40 5.654 9.642 -3.912 1.00 0.00 C ATOM 599 OE1 GLU A 40 6.804 9.287 -3.575 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.404 10.806 -4.292 1.00 0.00 O ATOM 0 H GLU A 40 6.814 7.513 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 40 4.654 5.782 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.344 7.727 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.745 7.142 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.578 9.119 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.424 8.268 -2.811 1.00 0.00 H new ATOM 607 N ASP A 41 6.736 5.249 -5.861 1.00 0.00 N ATOM 608 CA ASP A 41 7.142 4.321 -6.914 1.00 0.00 C ATOM 609 C ASP A 41 7.312 2.883 -6.386 1.00 0.00 C ATOM 610 O ASP A 41 6.900 1.921 -7.041 1.00 0.00 O ATOM 611 CB ASP A 41 8.442 4.818 -7.549 1.00 0.00 C ATOM 612 CG ASP A 41 8.983 3.868 -8.597 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.484 3.891 -9.740 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.901 3.082 -8.278 1.00 0.00 O ATOM 0 H ASP A 41 7.402 6.004 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 41 6.352 4.290 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.269 5.793 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.192 4.958 -6.770 1.00 0.00 H new ATOM 619 N MET A 42 7.907 2.741 -5.200 1.00 0.00 N ATOM 620 CA MET A 42 8.116 1.415 -4.600 1.00 0.00 C ATOM 621 C MET A 42 6.772 0.733 -4.322 1.00 0.00 C ATOM 622 O MET A 42 6.506 -0.380 -4.796 1.00 0.00 O ATOM 623 CB MET A 42 8.915 1.532 -3.294 1.00 0.00 C ATOM 624 CG MET A 42 10.326 2.070 -3.473 1.00 0.00 C ATOM 625 SD MET A 42 11.196 2.246 -1.901 1.00 0.00 S ATOM 626 CE MET A 42 12.774 2.898 -2.447 1.00 0.00 C ATOM 0 H MET A 42 8.251 3.519 -4.637 1.00 0.00 H new ATOM 0 HA MET A 42 8.682 0.810 -5.308 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.374 2.183 -2.607 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.969 0.549 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.888 1.400 -4.124 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.283 3.038 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.420 3.058 -1.584 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.246 2.188 -3.126 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.617 3.845 -2.964 1.00 0.00 H new ATOM 636 N LEU A 43 5.927 1.428 -3.565 1.00 0.00 N ATOM 637 CA LEU A 43 4.584 0.947 -3.236 1.00 0.00 C ATOM 638 C LEU A 43 3.794 0.602 -4.506 1.00 0.00 C ATOM 639 O LEU A 43 3.176 -0.455 -4.599 1.00 0.00 O ATOM 640 CB LEU A 43 3.839 2.016 -2.429 1.00 0.00 C ATOM 641 CG LEU A 43 4.509 2.415 -1.105 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.864 3.672 -0.535 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.446 1.266 -0.098 1.00 0.00 C ATOM 0 H LEU A 43 6.151 2.338 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 43 4.679 0.039 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.731 2.907 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.834 1.653 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 43 5.558 2.632 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.352 3.938 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.972 4.491 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.805 3.487 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.926 1.570 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.405 1.011 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.962 0.397 -0.505 1.00 0.00 H new ATOM 655 N ARG A 44 3.833 1.497 -5.488 1.00 0.00 N ATOM 656 CA ARG A 44 3.151 1.273 -6.761 1.00 0.00 C ATOM 657 C ARG A 44 3.680 0.016 -7.470 1.00 0.00 C ATOM 658 O ARG A 44 2.903 -0.815 -7.934 1.00 0.00 O ATOM 659 CB ARG A 44 3.305 2.496 -7.668 1.00 0.00 C ATOM 660 CG ARG A 44 2.602 2.350 -9.009 1.00 0.00 C ATOM 661 CD ARG A 44 2.627 3.644 -9.811 1.00 0.00 C ATOM 662 NE ARG A 44 2.030 3.461 -11.131 1.00 0.00 N ATOM 663 CZ ARG A 44 0.805 3.787 -11.446 1.00 0.00 C ATOM 664 NH1 ARG A 44 0.014 4.321 -10.570 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.366 3.558 -12.639 1.00 0.00 N ATOM 0 H ARG A 44 4.330 2.386 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 44 2.093 1.117 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.910 3.372 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.366 2.679 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.080 1.558 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.568 2.045 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.087 4.421 -9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.656 3.988 -9.919 1.00 0.00 H new ATOM 0 HE ARG A 44 2.612 3.049 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.345 4.492 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.940 4.571 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.975 3.124 -13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.590 3.811 -12.888 1.00 0.00 H new ATOM 679 N GLY A 45 5.000 -0.127 -7.532 1.00 0.00 N ATOM 680 CA GLY A 45 5.602 -1.290 -8.177 1.00 0.00 C ATOM 681 C GLY A 45 5.139 -2.617 -7.575 1.00 0.00 C ATOM 682 O GLY A 45 5.104 -3.641 -8.258 1.00 0.00 O ATOM 0 H GLY A 45 5.668 0.541 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.358 -1.275 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.687 -1.221 -8.098 1.00 0.00 H new ATOM 686 N ILE A 46 4.809 -2.602 -6.286 1.00 0.00 N ATOM 687 CA ILE A 46 4.301 -3.795 -5.595 1.00 0.00 C ATOM 688 C ILE A 46 2.769 -3.951 -5.737 1.00 0.00 C ATOM 689 O ILE A 46 2.273 -4.999 -6.155 1.00 0.00 O ATOM 690 CB ILE A 46 4.666 -3.754 -4.088 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.182 -3.561 -3.905 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.193 -5.023 -3.376 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.024 -4.661 -4.520 1.00 0.00 C ATOM 0 H ILE A 46 4.883 -1.776 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 46 4.777 -4.652 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 46 4.153 -2.904 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.472 -2.607 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.404 -3.501 -2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.461 -4.970 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.111 -5.112 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.670 -5.893 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.080 -4.451 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.765 -5.616 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.834 -4.708 -5.592 1.00 0.00 H new ATOM 705 N PHE A 47 2.030 -2.899 -5.388 1.00 0.00 N ATOM 706 CA PHE A 47 0.559 -2.956 -5.305 1.00 0.00 C ATOM 707 C PHE A 47 -0.146 -2.840 -6.677 1.00 0.00 C ATOM 708 O PHE A 47 -1.170 -3.487 -6.907 1.00 0.00 O ATOM 709 CB PHE A 47 0.044 -1.842 -4.381 1.00 0.00 C ATOM 710 CG PHE A 47 0.351 -2.031 -2.912 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.642 -1.875 -2.427 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.663 -2.342 -2.011 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.918 -2.028 -1.082 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.389 -2.498 -0.664 1.00 0.00 C ATOM 715 CZ PHE A 47 0.902 -2.340 -0.200 1.00 0.00 C ATOM 0 H PHE A 47 2.423 -1.987 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 47 0.317 -3.940 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.473 -0.894 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.036 -1.761 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.442 -1.631 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.675 -2.463 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.928 -1.904 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.184 -2.743 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.117 -2.460 0.852 1.00 0.00 H new ATOM 725 N GLU A 48 0.393 -2.019 -7.581 1.00 0.00 N ATOM 726 CA GLU A 48 -0.281 -1.715 -8.865 1.00 0.00 C ATOM 727 C GLU A 48 -0.597 -2.987 -9.682 1.00 0.00 C ATOM 728 O GLU A 48 -1.730 -3.150 -10.146 1.00 0.00 O ATOM 729 CB GLU A 48 0.551 -0.709 -9.695 1.00 0.00 C ATOM 730 CG GLU A 48 -0.248 0.117 -10.710 1.00 0.00 C ATOM 731 CD GLU A 48 -0.436 -0.563 -12.060 1.00 0.00 C ATOM 732 OE1 GLU A 48 -1.411 -1.319 -12.226 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.380 -0.317 -12.974 1.00 0.00 O ATOM 0 H GLU A 48 1.290 -1.550 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.239 -1.255 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.054 -0.026 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.328 -1.257 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.228 0.340 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.257 1.071 -10.864 1.00 0.00 H new ATOM 740 N PRO A 49 0.379 -3.918 -9.859 1.00 0.00 N ATOM 741 CA PRO A 49 0.154 -5.180 -10.599 1.00 0.00 C ATOM 742 C PRO A 49 -1.135 -5.928 -10.199 1.00 0.00 C ATOM 743 O PRO A 49 -1.639 -6.759 -10.960 1.00 0.00 O ATOM 744 CB PRO A 49 1.384 -6.015 -10.231 1.00 0.00 C ATOM 745 CG PRO A 49 2.459 -5.007 -10.010 1.00 0.00 C ATOM 746 CD PRO A 49 1.782 -3.817 -9.382 1.00 0.00 C ATOM 0 HA PRO A 49 0.026 -4.991 -11.665 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.207 -6.611 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.647 -6.709 -11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.238 -5.403 -9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.938 -4.733 -10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.839 -3.852 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.245 -2.881 -9.695 1.00 0.00 H new ATOM 754 N PHE A 50 -1.661 -5.642 -9.008 1.00 0.00 N ATOM 755 CA PHE A 50 -2.905 -6.264 -8.549 1.00 0.00 C ATOM 756 C PHE A 50 -4.127 -5.741 -9.323 1.00 0.00 C ATOM 757 O PHE A 50 -4.917 -6.531 -9.845 1.00 0.00 O ATOM 758 CB PHE A 50 -3.098 -6.050 -7.041 1.00 0.00 C ATOM 759 CG PHE A 50 -2.213 -6.924 -6.189 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.641 -8.184 -5.791 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.959 -6.492 -5.781 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.840 -8.990 -5.004 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.153 -7.296 -4.995 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.595 -8.546 -4.607 1.00 0.00 C ATOM 0 H PHE A 50 -1.248 -4.986 -8.345 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.821 -7.333 -8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.900 -5.005 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.140 -6.244 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.613 -8.539 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.608 -5.516 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.188 -9.966 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.821 -6.947 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.033 -9.175 -3.994 1.00 0.00 H new ATOM 774 N GLY A 51 -4.290 -4.417 -9.407 1.00 0.00 N ATOM 775 CA GLY A 51 -5.457 -3.874 -10.103 1.00 0.00 C ATOM 776 C GLY A 51 -5.464 -2.357 -10.273 1.00 0.00 C ATOM 777 O GLY A 51 -6.491 -1.716 -10.035 1.00 0.00 O ATOM 0 H GLY A 51 -3.652 -3.723 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.519 -4.334 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.354 -4.167 -9.558 1.00 0.00 H new ATOM 781 N ARG A 52 -4.330 -1.790 -10.693 1.00 0.00 N ATOM 782 CA ARG A 52 -4.244 -0.359 -11.051 1.00 0.00 C ATOM 783 C ARG A 52 -4.306 0.582 -9.828 1.00 0.00 C ATOM 784 O ARG A 52 -5.118 0.405 -8.918 1.00 0.00 O ATOM 785 CB ARG A 52 -5.344 -0.003 -12.067 1.00 0.00 C ATOM 786 CG ARG A 52 -5.446 1.480 -12.403 1.00 0.00 C ATOM 787 CD ARG A 52 -6.519 1.735 -13.452 1.00 0.00 C ATOM 788 NE ARG A 52 -6.795 3.160 -13.627 1.00 0.00 N ATOM 789 CZ ARG A 52 -7.758 3.641 -14.365 1.00 0.00 C ATOM 790 NH1 ARG A 52 -8.538 2.853 -15.032 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.944 4.919 -14.426 1.00 0.00 N ATOM 0 H ARG A 52 -3.451 -2.297 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.264 -0.205 -11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.163 -0.558 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.304 -0.340 -11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.676 2.045 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.484 1.840 -12.768 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.202 1.309 -14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.436 1.222 -13.163 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.194 3.824 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.404 1.843 -14.985 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.287 3.242 -15.605 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.339 5.548 -13.898 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.696 5.298 -15.002 1.00 0.00 H new ATOM 805 N ILE A 53 -3.444 1.604 -9.834 1.00 0.00 N ATOM 806 CA ILE A 53 -3.378 2.592 -8.743 1.00 0.00 C ATOM 807 C ILE A 53 -3.464 4.026 -9.283 1.00 0.00 C ATOM 808 O ILE A 53 -2.760 4.387 -10.231 1.00 0.00 O ATOM 809 CB ILE A 53 -2.070 2.453 -7.926 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.997 1.075 -7.254 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.964 3.565 -6.884 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.745 0.857 -6.435 1.00 0.00 C ATOM 0 H ILE A 53 -2.776 1.772 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.231 2.392 -8.095 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.228 2.546 -8.612 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.867 0.950 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.056 0.304 -8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.038 3.449 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.966 4.534 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.813 3.507 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.768 -0.139 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.131 0.948 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.694 1.604 -5.643 1.00 0.00 H new ATOM 824 N GLU A 54 -4.307 4.844 -8.655 1.00 0.00 N ATOM 825 CA GLU A 54 -4.544 6.221 -9.110 1.00 0.00 C ATOM 826 C GLU A 54 -3.916 7.264 -8.170 1.00 0.00 C ATOM 827 O GLU A 54 -3.238 8.189 -8.619 1.00 0.00 O ATOM 828 CB GLU A 54 -6.054 6.463 -9.231 1.00 0.00 C ATOM 829 CG GLU A 54 -6.744 5.494 -10.185 1.00 0.00 C ATOM 830 CD GLU A 54 -6.284 5.658 -11.627 1.00 0.00 C ATOM 831 OE1 GLU A 54 -5.289 5.012 -12.023 1.00 0.00 O ATOM 832 OE2 GLU A 54 -6.913 6.432 -12.378 1.00 0.00 O ATOM 0 H GLU A 54 -4.841 4.580 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.065 6.338 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.509 6.377 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.225 7.484 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.550 4.472 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.822 5.646 -10.133 1.00 0.00 H new ATOM 839 N SER A 55 -4.144 7.120 -6.866 1.00 0.00 N ATOM 840 CA SER A 55 -3.653 8.103 -5.885 1.00 0.00 C ATOM 841 C SER A 55 -2.839 7.446 -4.762 1.00 0.00 C ATOM 842 O SER A 55 -3.333 6.572 -4.052 1.00 0.00 O ATOM 843 CB SER A 55 -4.833 8.877 -5.282 1.00 0.00 C ATOM 844 OG SER A 55 -5.589 9.537 -6.290 1.00 0.00 O ATOM 0 H SER A 55 -4.661 6.340 -6.460 1.00 0.00 H new ATOM 0 HA SER A 55 -2.991 8.787 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.477 8.191 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.462 9.609 -4.565 1.00 0.00 H new ATOM 0 HG SER A 55 -6.335 10.020 -5.876 1.00 0.00 H new ATOM 850 N ILE A 56 -1.588 7.879 -4.604 1.00 0.00 N ATOM 851 CA ILE A 56 -0.713 7.375 -3.535 1.00 0.00 C ATOM 852 C ILE A 56 -0.355 8.498 -2.547 1.00 0.00 C ATOM 853 O ILE A 56 0.441 9.383 -2.859 1.00 0.00 O ATOM 854 CB ILE A 56 0.593 6.764 -4.108 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.260 5.709 -5.177 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.438 6.152 -2.987 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.473 5.086 -5.839 1.00 0.00 C ATOM 0 H ILE A 56 -1.153 8.580 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.265 6.593 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 56 1.175 7.559 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.334 4.919 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.361 6.170 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.350 5.729 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.698 6.925 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.869 5.366 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.148 4.354 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.059 5.863 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.086 4.592 -5.085 1.00 0.00 H new ATOM 869 N GLN A 57 -0.951 8.460 -1.358 1.00 0.00 N ATOM 870 CA GLN A 57 -0.720 9.496 -0.344 1.00 0.00 C ATOM 871 C GLN A 57 0.303 9.038 0.707 1.00 0.00 C ATOM 872 O GLN A 57 0.064 8.083 1.440 1.00 0.00 O ATOM 873 CB GLN A 57 -2.042 9.859 0.355 1.00 0.00 C ATOM 874 CG GLN A 57 -3.096 10.457 -0.574 1.00 0.00 C ATOM 875 CD GLN A 57 -2.712 11.822 -1.132 1.00 0.00 C ATOM 876 OE1 GLN A 57 -3.087 12.176 -2.243 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.992 12.614 -0.360 1.00 0.00 N ATOM 0 H GLN A 57 -1.597 7.726 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.320 10.372 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.451 8.963 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.834 10.569 1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.270 9.771 -1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.037 10.547 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.693 12.294 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.735 13.546 -0.684 1.00 0.00 H new ATOM 886 N LEU A 58 1.441 9.724 0.774 1.00 0.00 N ATOM 887 CA LEU A 58 2.429 9.471 1.828 1.00 0.00 C ATOM 888 C LEU A 58 2.275 10.515 2.941 1.00 0.00 C ATOM 889 O LEU A 58 2.223 11.716 2.670 1.00 0.00 O ATOM 890 CB LEU A 58 3.855 9.517 1.258 1.00 0.00 C ATOM 891 CG LEU A 58 4.140 8.552 0.091 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.611 8.616 -0.313 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.740 7.121 0.446 1.00 0.00 C ATOM 0 H LEU A 58 1.704 10.457 0.116 1.00 0.00 H new ATOM 0 HA LEU A 58 2.255 8.476 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.060 10.534 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.556 9.300 2.064 1.00 0.00 H new ATOM 0 HG LEU A 58 3.534 8.867 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.792 7.927 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.859 9.630 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.234 8.336 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.953 6.464 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.307 6.790 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.674 7.087 0.672 1.00 0.00 H new ATOM 905 N MET A 59 2.209 10.066 4.191 1.00 0.00 N ATOM 906 CA MET A 59 1.940 10.977 5.307 1.00 0.00 C ATOM 907 C MET A 59 3.240 11.484 5.947 1.00 0.00 C ATOM 908 O MET A 59 4.003 10.718 6.546 1.00 0.00 O ATOM 909 CB MET A 59 1.065 10.285 6.358 1.00 0.00 C ATOM 910 CG MET A 59 -0.208 9.671 5.786 1.00 0.00 C ATOM 911 SD MET A 59 -1.242 10.865 4.910 1.00 0.00 S ATOM 912 CE MET A 59 -1.683 11.982 6.239 1.00 0.00 C ATOM 0 H MET A 59 2.336 9.090 4.458 1.00 0.00 H new ATOM 0 HA MET A 59 1.406 11.840 4.910 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.648 9.504 6.846 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.795 11.009 7.127 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.060 8.863 5.105 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.785 9.226 6.597 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.483 12.644 5.908 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.022 11.407 7.101 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.813 12.576 6.519 1.00 0.00 H new ATOM 1033 N LYS A 68 6.068 10.143 8.791 1.00 0.00 N ATOM 1034 CA LYS A 68 5.220 9.513 9.814 1.00 0.00 C ATOM 1035 C LYS A 68 5.390 7.985 9.842 1.00 0.00 C ATOM 1036 O LYS A 68 5.373 7.367 10.908 1.00 0.00 O ATOM 1037 CB LYS A 68 3.746 9.862 9.570 1.00 0.00 C ATOM 1038 CG LYS A 68 3.400 11.327 9.822 1.00 0.00 C ATOM 1039 CD LYS A 68 3.626 11.714 11.281 1.00 0.00 C ATOM 1040 CE LYS A 68 3.183 13.144 11.561 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.726 13.333 11.334 1.00 0.00 N ATOM 0 HA LYS A 68 5.536 9.904 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.491 9.612 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.125 9.238 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.009 11.961 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.359 11.507 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.077 11.030 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.682 11.606 11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.425 13.403 12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.741 13.828 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.420 14.226 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.535 13.363 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.203 12.542 11.761 1.00 0.00 H new ATOM 1055 N GLY A 69 5.539 7.381 8.664 1.00 0.00 N ATOM 1056 CA GLY A 69 5.722 5.933 8.580 1.00 0.00 C ATOM 1057 C GLY A 69 4.512 5.192 8.008 1.00 0.00 C ATOM 1058 O GLY A 69 4.506 3.959 7.951 1.00 0.00 O ATOM 0 H GLY A 69 5.537 7.864 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.593 5.721 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.937 5.545 9.575 1.00 0.00 H new ATOM 1062 N TYR A 70 3.488 5.931 7.580 1.00 0.00 N ATOM 1063 CA TYR A 70 2.281 5.327 6.993 1.00 0.00 C ATOM 1064 C TYR A 70 1.743 6.146 5.807 1.00 0.00 C ATOM 1065 O TYR A 70 1.985 7.351 5.704 1.00 0.00 O ATOM 1066 CB TYR A 70 1.194 5.143 8.069 1.00 0.00 C ATOM 1067 CG TYR A 70 1.084 6.291 9.063 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.486 7.499 8.716 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.577 6.156 10.358 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.387 8.535 9.626 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.480 7.187 11.270 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.883 8.372 10.902 1.00 0.00 C ATOM 1073 OH TYR A 70 0.790 9.401 11.811 1.00 0.00 O ATOM 0 H TYR A 70 3.466 6.950 7.627 1.00 0.00 H new ATOM 0 HA TYR A 70 2.561 4.348 6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.231 5.014 7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.397 4.223 8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.093 7.629 7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.044 5.228 10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.077 9.467 9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.871 7.065 12.269 1.00 0.00 H new ATOM 0 HH TYR A 70 1.186 9.122 12.663 1.00 0.00 H new ATOM 1083 N GLY A 71 1.033 5.470 4.906 1.00 0.00 N ATOM 1084 CA GLY A 71 0.460 6.120 3.732 1.00 0.00 C ATOM 1085 C GLY A 71 -0.826 5.448 3.250 1.00 0.00 C ATOM 1086 O GLY A 71 -1.100 4.301 3.596 1.00 0.00 O ATOM 0 H GLY A 71 0.841 4.470 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.253 7.164 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.193 6.113 2.925 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.620 6.166 2.455 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.897 5.645 1.939 1.00 0.00 C ATOM 1092 C PHE A 72 -2.885 5.517 0.403 1.00 0.00 C ATOM 1093 O PHE A 72 -2.688 6.503 -0.309 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.046 6.569 2.365 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.229 6.684 3.858 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.530 7.635 4.588 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.107 5.845 4.532 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.704 7.747 5.956 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.283 5.952 5.898 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.580 6.904 6.611 1.00 0.00 C ATOM 0 H PHE A 72 -1.404 7.115 2.150 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.041 4.650 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.868 7.563 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.973 6.203 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.842 8.296 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.660 5.099 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.155 8.493 6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.969 5.292 6.408 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.715 6.989 7.679 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.121 4.309 -0.105 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.131 4.062 -1.556 1.00 0.00 C ATOM 1112 C ILE A 73 -4.556 3.798 -2.076 1.00 0.00 C ATOM 1113 O ILE A 73 -5.305 3.012 -1.498 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.218 2.865 -1.925 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.786 3.111 -1.420 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.219 2.632 -3.436 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.164 1.963 -1.693 1.00 0.00 C ATOM 0 H ILE A 73 -3.309 3.482 0.462 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.748 4.964 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.610 1.970 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.395 4.014 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.816 3.298 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.572 1.788 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.234 2.417 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.851 3.525 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.153 2.210 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.202 1.062 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.225 1.789 -2.767 1.00 0.00 H new ATOM 1129 N THR A 74 -4.917 4.456 -3.174 1.00 0.00 N ATOM 1130 CA THR A 74 -6.263 4.331 -3.761 1.00 0.00 C ATOM 1131 C THR A 74 -6.235 3.559 -5.090 1.00 0.00 C ATOM 1132 O THR A 74 -5.527 3.941 -6.028 1.00 0.00 O ATOM 1133 CB THR A 74 -6.909 5.719 -4.014 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.954 6.482 -2.795 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.325 5.580 -4.577 1.00 0.00 C ATOM 0 H THR A 74 -4.298 5.087 -3.683 1.00 0.00 H new ATOM 0 HA THR A 74 -6.859 3.779 -3.034 1.00 0.00 H new ATOM 0 HB THR A 74 -6.292 6.238 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.362 7.355 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.749 6.570 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.289 5.037 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.946 5.033 -3.868 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.022 2.483 -5.167 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.110 1.650 -6.380 1.00 0.00 C ATOM 1145 C PHE A 75 -8.431 1.884 -7.120 1.00 0.00 C ATOM 1146 O PHE A 75 -9.453 2.194 -6.505 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.003 0.157 -6.028 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.720 -0.240 -5.338 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.431 0.216 -4.059 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.810 -1.082 -5.963 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.266 -0.155 -3.423 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.642 -1.457 -5.326 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.372 -0.992 -4.055 1.00 0.00 C ATOM 0 H PHE A 75 -7.613 2.162 -4.400 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.279 1.937 -7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.842 -0.112 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.102 -0.426 -6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.128 0.870 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.017 -1.448 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.054 0.210 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.942 -2.113 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.460 -1.284 -3.556 1.00 0.00 H new ATOM 1163 N SER A 76 -8.405 1.709 -8.438 1.00 0.00 N ATOM 1164 CA SER A 76 -9.609 1.860 -9.274 1.00 0.00 C ATOM 1165 C SER A 76 -10.612 0.717 -9.054 1.00 0.00 C ATOM 1166 O SER A 76 -11.756 0.785 -9.512 1.00 0.00 O ATOM 1167 CB SER A 76 -9.225 1.906 -10.758 1.00 0.00 C ATOM 1168 OG SER A 76 -8.263 2.917 -11.006 1.00 0.00 O ATOM 0 H SER A 76 -7.564 1.461 -8.959 1.00 0.00 H new ATOM 0 HA SER A 76 -10.084 2.796 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.827 0.938 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.114 2.090 -11.361 1.00 0.00 H new ATOM 0 HG SER A 76 -8.556 3.470 -11.760 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.180 -0.335 -8.362 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.031 -1.502 -8.121 1.00 0.00 C ATOM 1176 C ASP A 77 -10.913 -1.997 -6.666 1.00 0.00 C ATOM 1177 O ASP A 77 -9.823 -2.330 -6.194 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.661 -2.620 -9.100 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.683 -3.737 -9.096 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.721 -3.600 -9.777 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.462 -4.753 -8.411 1.00 0.00 O ATOM 0 H ASP A 77 -9.246 -0.405 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.068 -1.209 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.577 -2.208 -10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.683 -3.023 -8.838 1.00 0.00 H new ATOM 1186 N SER A 78 -12.051 -2.055 -5.972 1.00 0.00 N ATOM 1187 CA SER A 78 -12.093 -2.467 -4.557 1.00 0.00 C ATOM 1188 C SER A 78 -11.674 -3.931 -4.368 1.00 0.00 C ATOM 1189 O SER A 78 -10.943 -4.258 -3.438 1.00 0.00 O ATOM 1190 CB SER A 78 -13.502 -2.264 -3.979 1.00 0.00 C ATOM 1191 OG SER A 78 -13.888 -0.896 -4.010 1.00 0.00 O ATOM 0 H SER A 78 -12.963 -1.822 -6.364 1.00 0.00 H new ATOM 0 HA SER A 78 -11.380 -1.838 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.218 -2.858 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.530 -2.628 -2.952 1.00 0.00 H new ATOM 0 HG SER A 78 -14.789 -0.802 -3.637 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.136 -4.807 -5.256 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.839 -6.243 -5.158 1.00 0.00 C ATOM 1199 C GLU A 79 -10.335 -6.521 -5.322 1.00 0.00 C ATOM 1200 O GLU A 79 -9.738 -7.271 -4.544 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.647 -7.023 -6.208 1.00 0.00 C ATOM 1202 CG GLU A 79 -14.138 -7.154 -5.888 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.839 -5.819 -5.654 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -15.128 -5.108 -6.642 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.107 -5.476 -4.481 1.00 0.00 O ATOM 0 H GLU A 79 -12.718 -4.553 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.130 -6.579 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.537 -6.530 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.220 -8.021 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.632 -7.674 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.256 -7.776 -5.001 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.729 -5.903 -6.334 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.286 -6.028 -6.570 1.00 0.00 C ATOM 1214 C CYS A 80 -7.477 -5.421 -5.409 1.00 0.00 C ATOM 1215 O CYS A 80 -6.445 -5.962 -5.007 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.908 -5.352 -7.894 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.687 -6.087 -9.357 1.00 0.00 S ATOM 0 H CYS A 80 -10.213 -5.309 -7.007 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.042 -7.089 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.182 -4.298 -7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.825 -5.394 -8.014 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.949 -5.774 -9.380 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.959 -4.298 -4.870 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.329 -3.656 -3.708 1.00 0.00 C ATOM 1225 C ALA A 81 -7.406 -4.552 -2.463 1.00 0.00 C ATOM 1226 O ALA A 81 -6.437 -4.687 -1.714 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.991 -2.310 -3.430 1.00 0.00 C ATOM 0 H ALA A 81 -8.785 -3.812 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.276 -3.497 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.517 -1.843 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.879 -1.663 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.051 -2.461 -3.224 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.566 -5.167 -2.260 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.787 -6.073 -1.131 1.00 0.00 C ATOM 1235 C LYS A 82 -7.818 -7.269 -1.187 1.00 0.00 C ATOM 1236 O LYS A 82 -7.273 -7.693 -0.161 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.246 -6.552 -1.140 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.665 -7.332 0.104 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.159 -7.653 0.086 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.009 -6.384 0.033 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.463 -6.684 -0.074 1.00 0.00 N ATOM 0 H LYS A 82 -9.377 -5.055 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.593 -5.537 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.899 -5.686 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.403 -7.180 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.093 -8.258 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.427 -6.752 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.386 -8.280 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.418 -8.228 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.828 -5.790 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.701 -5.778 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.000 -5.794 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.642 -7.229 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.765 -7.240 0.752 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.603 -7.801 -2.392 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.620 -8.871 -2.603 1.00 0.00 C ATOM 1257 C LYS A 83 -5.191 -8.375 -2.333 1.00 0.00 C ATOM 1258 O LYS A 83 -4.409 -9.050 -1.662 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.725 -9.416 -4.033 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.682 -10.482 -4.365 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.869 -11.039 -5.774 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.845 -12.118 -6.096 1.00 0.00 C ATOM 1263 NZ LYS A 83 -5.063 -12.702 -7.445 1.00 0.00 N ATOM 0 H LYS A 83 -8.095 -7.510 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.841 -9.672 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.720 -9.836 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.622 -8.589 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.684 -10.055 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.749 -11.294 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.874 -11.451 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.784 -10.230 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.842 -11.695 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.900 -12.907 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.346 -13.433 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.011 -13.128 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.985 -11.954 -8.164 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.861 -7.194 -2.858 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.549 -6.578 -2.617 1.00 0.00 C ATOM 1279 C ALA A 84 -3.254 -6.483 -1.114 1.00 0.00 C ATOM 1280 O ALA A 84 -2.184 -6.875 -0.648 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.491 -5.195 -3.254 1.00 0.00 C ATOM 0 H ALA A 84 -5.481 -6.643 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.788 -7.210 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.514 -4.749 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.652 -5.282 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.266 -4.562 -2.822 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.227 -5.973 -0.369 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.143 -5.895 1.090 1.00 0.00 C ATOM 1289 C LEU A 85 -3.846 -7.270 1.703 1.00 0.00 C ATOM 1290 O LEU A 85 -2.852 -7.451 2.407 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.466 -5.322 1.642 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.575 -5.163 3.175 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.585 -4.076 3.519 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.981 -6.476 3.855 1.00 0.00 C ATOM 0 H LEU A 85 -5.095 -5.602 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.320 -5.235 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.628 -4.345 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.280 -5.967 1.309 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.590 -4.881 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.654 -3.973 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.264 -3.130 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.562 -4.347 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.047 -6.323 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.950 -6.798 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.235 -7.242 3.642 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.704 -8.240 1.405 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.608 -9.583 1.987 1.00 0.00 C ATOM 1308 C GLU A 86 -3.281 -10.286 1.631 1.00 0.00 C ATOM 1309 O GLU A 86 -2.699 -10.996 2.460 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.797 -10.426 1.511 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.838 -11.830 2.098 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.082 -12.597 1.684 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.082 -13.204 0.592 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.070 -12.596 2.450 1.00 0.00 O ATOM 0 H GLU A 86 -5.483 -8.123 0.757 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.630 -9.479 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.721 -9.909 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.765 -10.499 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.953 -12.380 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.799 -11.767 3.185 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.792 -10.064 0.412 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.591 -10.746 -0.080 1.00 0.00 C ATOM 1323 C GLN A 87 -0.315 -10.083 0.462 1.00 0.00 C ATOM 1324 O GLN A 87 0.704 -10.740 0.674 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.588 -10.730 -1.617 1.00 0.00 C ATOM 1326 CG GLN A 87 -0.469 -11.544 -2.262 1.00 0.00 C ATOM 1327 CD GLN A 87 -0.550 -13.027 -1.931 1.00 0.00 C ATOM 1328 OE1 GLN A 87 0.057 -13.504 -0.977 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -1.309 -13.764 -2.713 1.00 0.00 N ATOM 0 H GLN A 87 -3.209 -9.416 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.606 -11.777 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.546 -11.110 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.509 -9.697 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.510 -11.415 -3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.494 -11.155 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.800 -13.336 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.406 -14.764 -2.534 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.387 -8.775 0.698 1.00 0.00 N ATOM 1339 CA LEU A 88 0.775 -8.005 1.147 1.00 0.00 C ATOM 1340 C LEU A 88 0.720 -7.680 2.652 1.00 0.00 C ATOM 1341 O LEU A 88 1.663 -7.109 3.206 1.00 0.00 O ATOM 1342 CB LEU A 88 0.885 -6.724 0.319 1.00 0.00 C ATOM 1343 CG LEU A 88 0.951 -6.953 -1.201 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.911 -5.629 -1.952 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.197 -7.758 -1.575 1.00 0.00 C ATOM 0 H LEU A 88 -1.238 -8.224 0.586 1.00 0.00 H new ATOM 0 HA LEU A 88 1.663 -8.618 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.028 -6.088 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.776 -6.180 0.631 1.00 0.00 H new ATOM 0 HG LEU A 88 0.075 -7.531 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.959 -5.817 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.015 -5.105 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.761 -5.015 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.223 -7.908 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.089 -7.214 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.168 -8.726 -1.075 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.376 -8.048 3.312 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.499 -7.869 4.764 1.00 0.00 C ATOM 1359 C ASN A 89 0.528 -8.741 5.504 1.00 0.00 C ATOM 1360 O ASN A 89 0.317 -9.941 5.698 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.918 -8.220 5.230 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.142 -7.921 6.703 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.834 -8.727 7.571 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.704 -6.766 6.993 1.00 0.00 N ATOM 0 H ASN A 89 -1.192 -8.471 2.869 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.302 -6.822 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.640 -7.660 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.105 -9.278 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.895 -6.521 7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.949 -6.116 6.246 1.00 0.00 H new ATOM 1371 N GLY A 90 1.646 -8.137 5.895 1.00 0.00 N ATOM 1372 CA GLY A 90 2.710 -8.876 6.569 1.00 0.00 C ATOM 1373 C GLY A 90 3.912 -9.143 5.670 1.00 0.00 C ATOM 1374 O GLY A 90 4.893 -9.757 6.099 1.00 0.00 O ATOM 0 H GLY A 90 1.839 -7.145 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.036 -8.315 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.314 -9.826 6.928 1.00 0.00 H new ATOM 1378 N PHE A 91 3.844 -8.680 4.424 1.00 0.00 N ATOM 1379 CA PHE A 91 4.950 -8.835 3.473 1.00 0.00 C ATOM 1380 C PHE A 91 6.158 -7.986 3.900 1.00 0.00 C ATOM 1381 O PHE A 91 6.035 -6.780 4.116 1.00 0.00 O ATOM 1382 CB PHE A 91 4.486 -8.433 2.063 1.00 0.00 C ATOM 1383 CG PHE A 91 5.534 -8.611 0.987 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.731 -9.848 0.392 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.318 -7.541 0.570 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.685 -10.018 -0.591 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.275 -7.707 -0.414 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.457 -8.946 -0.995 1.00 0.00 C ATOM 0 H PHE A 91 3.032 -8.192 4.045 1.00 0.00 H new ATOM 0 HA PHE A 91 5.257 -9.881 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.609 -9.024 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.174 -7.389 2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.130 -10.690 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.178 -6.569 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.828 -10.988 -1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.879 -6.869 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.203 -9.077 -1.765 1.00 0.00 H new ATOM 1398 N GLU A 92 7.321 -8.615 4.035 1.00 0.00 N ATOM 1399 CA GLU A 92 8.534 -7.896 4.426 1.00 0.00 C ATOM 1400 C GLU A 92 9.136 -7.164 3.220 1.00 0.00 C ATOM 1401 O GLU A 92 9.928 -7.726 2.462 1.00 0.00 O ATOM 1402 CB GLU A 92 9.551 -8.858 5.057 1.00 0.00 C ATOM 1403 CG GLU A 92 8.999 -9.605 6.270 1.00 0.00 C ATOM 1404 CD GLU A 92 10.050 -10.423 7.002 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.381 -11.534 6.538 1.00 0.00 O ATOM 1406 OE2 GLU A 92 10.544 -9.963 8.053 1.00 0.00 O ATOM 0 H GLU A 92 7.452 -9.615 3.881 1.00 0.00 H new ATOM 0 HA GLU A 92 8.271 -7.149 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.871 -9.582 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.436 -8.296 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.561 -8.886 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.195 -10.266 5.946 1.00 0.00 H new ATOM 1413 N LEU A 93 8.731 -5.908 3.042 1.00 0.00 N ATOM 1414 CA LEU A 93 9.122 -5.115 1.871 1.00 0.00 C ATOM 1415 C LEU A 93 10.557 -4.586 1.997 1.00 0.00 C ATOM 1416 O LEU A 93 11.464 -5.036 1.299 1.00 0.00 O ATOM 1417 CB LEU A 93 8.138 -3.946 1.677 1.00 0.00 C ATOM 1418 CG LEU A 93 8.422 -3.034 0.469 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.330 -3.817 -0.840 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.466 -1.840 0.455 1.00 0.00 C ATOM 0 H LEU A 93 8.127 -5.412 3.698 1.00 0.00 H new ATOM 0 HA LEU A 93 9.088 -5.767 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.132 -4.354 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.143 -3.336 2.580 1.00 0.00 H new ATOM 0 HG LEU A 93 9.439 -2.655 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.535 -3.150 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.061 -4.625 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.329 -4.234 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.684 -1.209 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.438 -2.198 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.593 -1.261 1.370 1.00 0.00 H new ATOM 1432 N ALA A 94 10.754 -3.631 2.897 1.00 0.00 N ATOM 1433 CA ALA A 94 12.076 -3.042 3.134 1.00 0.00 C ATOM 1434 C ALA A 94 12.854 -3.832 4.201 1.00 0.00 C ATOM 1435 O ALA A 94 13.457 -3.253 5.102 1.00 0.00 O ATOM 1436 CB ALA A 94 11.919 -1.582 3.555 1.00 0.00 C ATOM 0 H ALA A 94 10.013 -3.242 3.481 1.00 0.00 H new ATOM 0 HA ALA A 94 12.648 -3.089 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.903 -1.146 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.412 -1.028 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.330 -1.529 4.470 1.00 0.00 H new ATOM 1442 N GLY A 95 12.844 -5.161 4.085 1.00 0.00 N ATOM 1443 CA GLY A 95 13.457 -6.016 5.103 1.00 0.00 C ATOM 1444 C GLY A 95 12.672 -6.039 6.411 1.00 0.00 C ATOM 1445 O GLY A 95 13.132 -6.585 7.416 1.00 0.00 O ATOM 0 H GLY A 95 12.423 -5.665 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.538 -7.032 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.471 -5.668 5.300 1.00 0.00 H new ATOM 1449 N ARG A 96 11.477 -5.446 6.393 1.00 0.00 N ATOM 1450 CA ARG A 96 10.604 -5.380 7.572 1.00 0.00 C ATOM 1451 C ARG A 96 9.133 -5.563 7.159 1.00 0.00 C ATOM 1452 O ARG A 96 8.727 -5.103 6.088 1.00 0.00 O ATOM 1453 CB ARG A 96 10.776 -4.035 8.303 1.00 0.00 C ATOM 1454 CG ARG A 96 12.153 -3.833 8.937 1.00 0.00 C ATOM 1455 CD ARG A 96 12.261 -2.486 9.649 1.00 0.00 C ATOM 1456 NE ARG A 96 11.318 -2.384 10.764 1.00 0.00 N ATOM 1457 CZ ARG A 96 11.406 -1.517 11.740 1.00 0.00 C ATOM 1458 NH1 ARG A 96 12.412 -0.701 11.823 1.00 0.00 N ATOM 1459 NH2 ARG A 96 10.488 -1.494 12.650 1.00 0.00 N ATOM 0 H ARG A 96 11.086 -4.998 5.564 1.00 0.00 H new ATOM 0 HA ARG A 96 10.888 -6.185 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.592 -3.225 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.016 -3.958 9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.346 -4.636 9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.921 -3.899 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.277 -2.351 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.071 -1.682 8.938 1.00 0.00 H new ATOM 0 HE ARG A 96 10.535 -3.037 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.151 -0.729 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.464 -0.032 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.706 -2.147 12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.546 -0.823 13.416 1.00 0.00 H new ATOM 1473 N PRO A 97 8.321 -6.241 7.998 1.00 0.00 N ATOM 1474 CA PRO A 97 6.892 -6.493 7.715 1.00 0.00 C ATOM 1475 C PRO A 97 6.101 -5.222 7.350 1.00 0.00 C ATOM 1476 O PRO A 97 6.243 -4.174 7.984 1.00 0.00 O ATOM 1477 CB PRO A 97 6.360 -7.101 9.031 1.00 0.00 C ATOM 1478 CG PRO A 97 7.427 -6.844 10.047 1.00 0.00 C ATOM 1479 CD PRO A 97 8.719 -6.828 9.287 1.00 0.00 C ATOM 0 HA PRO A 97 6.775 -7.141 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.418 -6.638 9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.170 -8.169 8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.261 -5.895 10.557 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.433 -7.620 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.478 -6.228 9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.132 -7.830 9.167 1.00 0.00 H new ATOM 1487 N MET A 98 5.269 -5.329 6.315 1.00 0.00 N ATOM 1488 CA MET A 98 4.423 -4.218 5.868 1.00 0.00 C ATOM 1489 C MET A 98 2.964 -4.408 6.317 1.00 0.00 C ATOM 1490 O MET A 98 2.321 -5.401 5.976 1.00 0.00 O ATOM 1491 CB MET A 98 4.505 -4.090 4.340 1.00 0.00 C ATOM 1492 CG MET A 98 3.589 -3.027 3.744 1.00 0.00 C ATOM 1493 SD MET A 98 3.893 -2.758 1.985 1.00 0.00 S ATOM 1494 CE MET A 98 3.668 -4.414 1.335 1.00 0.00 C ATOM 0 H MET A 98 5.161 -6.181 5.765 1.00 0.00 H new ATOM 0 HA MET A 98 4.789 -3.299 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.534 -3.862 4.062 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.260 -5.054 3.894 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.550 -3.325 3.888 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.729 -2.089 4.281 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.264 -4.356 0.324 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.628 -4.930 1.313 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.975 -4.964 1.972 1.00 0.00 H new ATOM 1504 N LYS A 99 2.448 -3.449 7.087 1.00 0.00 N ATOM 1505 CA LYS A 99 1.062 -3.510 7.572 1.00 0.00 C ATOM 1506 C LYS A 99 0.087 -2.855 6.583 1.00 0.00 C ATOM 1507 O LYS A 99 0.029 -1.633 6.474 1.00 0.00 O ATOM 1508 CB LYS A 99 0.926 -2.825 8.944 1.00 0.00 C ATOM 1509 CG LYS A 99 1.476 -3.632 10.121 1.00 0.00 C ATOM 1510 CD LYS A 99 2.999 -3.725 10.118 1.00 0.00 C ATOM 1511 CE LYS A 99 3.509 -4.535 11.307 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.014 -3.998 12.605 1.00 0.00 N ATOM 0 H LYS A 99 2.964 -2.623 7.389 1.00 0.00 H new ATOM 0 HA LYS A 99 0.808 -4.566 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.441 -1.865 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.128 -2.615 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.147 -3.174 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.056 -4.637 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.335 -4.187 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.426 -2.723 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.193 -5.573 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.599 -4.532 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.561 -4.416 13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.127 -2.964 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.009 -4.238 12.719 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.668 -3.676 5.860 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.710 -3.172 4.961 1.00 0.00 C ATOM 1528 C VAL A 100 -3.105 -3.424 5.561 1.00 0.00 C ATOM 1529 O VAL A 100 -3.586 -4.557 5.581 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.629 -3.826 3.557 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.518 -3.076 2.566 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.184 -3.876 3.061 1.00 0.00 C ATOM 0 H VAL A 100 -0.581 -4.692 5.876 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.545 -2.100 4.848 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.992 -4.851 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.449 -3.548 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.552 -3.104 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.188 -2.040 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.154 -4.339 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.215 -2.863 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.419 -4.461 3.755 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.736 -2.366 6.065 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.032 -2.498 6.727 1.00 0.00 C ATOM 1544 C GLY A 101 -6.170 -1.797 5.989 1.00 0.00 C ATOM 1545 O GLY A 101 -5.939 -0.923 5.154 1.00 0.00 O ATOM 0 H GLY A 101 -3.374 -1.413 6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.273 -3.556 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.959 -2.090 7.735 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.408 -2.180 6.309 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.610 -1.583 5.700 1.00 0.00 C ATOM 1551 C HIS A 102 -8.875 -0.144 6.200 1.00 0.00 C ATOM 1552 O HIS A 102 -9.998 0.351 6.094 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.837 -2.455 6.013 1.00 0.00 C ATOM 1554 CG HIS A 102 -9.804 -3.816 5.384 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.630 -4.184 4.345 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -9.045 -4.905 5.655 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -10.381 -5.430 4.003 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -9.427 -5.892 4.780 1.00 0.00 N ATOM 0 H HIS A 102 -7.611 -2.909 6.993 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.434 -1.535 4.625 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -9.921 -2.569 7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.734 -1.934 5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -8.283 -4.982 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -10.877 -5.980 3.217 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -9.034 -6.832 4.740 1.00 0.00 H new