USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.753 K(o=-0.75,f=-1.3!) USER MOD Single : A 27 MET CE :methyl -121:sc= 0 (180deg=-1.11) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -152:sc= 0.236 USER MOD Single : A 35 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 174:sc= 0 (180deg=-0.0882) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 1.3 (180deg=1.04) 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 -26:sc= 0.336 USER MOD Single : A 78 SER OG : rot 97:sc= 0.791 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 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= -0.0749 X(o=-0.075,f=-0.51) USER MOD Single : A 89 ASN : amide:sc= 0.647 K(o=0.65,f=-3.7!) USER MOD Single : A 98 MET CE :methyl 140:sc= -1.25 (180deg=-2.38!) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 102 HIS : no HE2:sc= 0.338 K(o=0.34,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.798 3.923 -5.293 1.00 0.00 N ATOM 360 CA PRO A 26 -12.447 3.347 -5.262 1.00 0.00 C ATOM 361 C PRO A 26 -12.083 2.854 -3.845 1.00 0.00 C ATOM 362 O PRO A 26 -12.612 3.356 -2.851 1.00 0.00 O ATOM 363 CB PRO A 26 -11.550 4.522 -5.688 1.00 0.00 C ATOM 364 CG PRO A 26 -12.330 5.742 -5.329 1.00 0.00 C ATOM 365 CD PRO A 26 -13.773 5.380 -5.549 1.00 0.00 C ATOM 0 HA PRO A 26 -12.342 2.475 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.592 4.497 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.335 4.489 -6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.152 6.030 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.040 6.589 -5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.432 5.920 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.098 5.617 -6.562 1.00 0.00 H new ATOM 373 N MET A 27 -11.187 1.873 -3.745 1.00 0.00 N ATOM 374 CA MET A 27 -10.820 1.309 -2.440 1.00 0.00 C ATOM 375 C MET A 27 -9.493 1.892 -1.934 1.00 0.00 C ATOM 376 O MET A 27 -8.461 1.794 -2.596 1.00 0.00 O ATOM 377 CB MET A 27 -10.735 -0.222 -2.513 1.00 0.00 C ATOM 378 CG MET A 27 -10.544 -0.885 -1.155 1.00 0.00 C ATOM 379 SD MET A 27 -10.600 -2.685 -1.240 1.00 0.00 S ATOM 380 CE MET A 27 -10.426 -3.116 0.489 1.00 0.00 C ATOM 0 H MET A 27 -10.705 1.454 -4.540 1.00 0.00 H new ATOM 0 HA MET A 27 -11.602 1.582 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.646 -0.607 -2.972 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.907 -0.501 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.586 -0.576 -0.737 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.318 -0.534 -0.473 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.542 -3.740 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.321 -2.207 1.082 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.309 -3.664 0.818 1.00 0.00 H new ATOM 390 N ARG A 28 -9.533 2.493 -0.748 1.00 0.00 N ATOM 391 CA ARG A 28 -8.353 3.118 -0.146 1.00 0.00 C ATOM 392 C ARG A 28 -7.709 2.182 0.890 1.00 0.00 C ATOM 393 O ARG A 28 -8.379 1.708 1.816 1.00 0.00 O ATOM 394 CB ARG A 28 -8.762 4.440 0.522 1.00 0.00 C ATOM 395 CG ARG A 28 -7.596 5.371 0.843 1.00 0.00 C ATOM 396 CD ARG A 28 -8.057 6.608 1.617 1.00 0.00 C ATOM 397 NE ARG A 28 -9.290 7.172 1.067 1.00 0.00 N ATOM 398 CZ ARG A 28 -9.519 8.442 0.895 1.00 0.00 C ATOM 399 NH1 ARG A 28 -8.624 9.328 1.202 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.662 8.816 0.423 1.00 0.00 N ATOM 0 H ARG A 28 -10.376 2.562 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.620 3.315 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.459 4.963 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.297 4.216 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.850 4.832 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.112 5.681 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.215 6.343 2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.271 7.363 1.594 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.027 6.520 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.725 9.034 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.819 10.319 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.370 8.120 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.856 9.807 0.283 1.00 0.00 H new ATOM 414 N LEU A 29 -6.416 1.912 0.732 1.00 0.00 N ATOM 415 CA LEU A 29 -5.687 1.034 1.653 1.00 0.00 C ATOM 416 C LEU A 29 -4.666 1.815 2.496 1.00 0.00 C ATOM 417 O LEU A 29 -3.910 2.643 1.984 1.00 0.00 O ATOM 418 CB LEU A 29 -4.974 -0.091 0.886 1.00 0.00 C ATOM 419 CG LEU A 29 -5.894 -1.070 0.132 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.075 -2.176 -0.529 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.941 -1.668 1.071 1.00 0.00 C ATOM 0 H LEU A 29 -5.847 2.288 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.423 0.597 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.288 0.361 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.368 -0.660 1.591 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.415 -0.513 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.743 -2.857 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.373 -1.735 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.524 -2.726 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.578 -2.356 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.442 -2.207 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.551 -0.869 1.492 1.00 0.00 H new ATOM 433 N TYR A 30 -4.671 1.539 3.795 1.00 0.00 N ATOM 434 CA TYR A 30 -3.714 2.123 4.738 1.00 0.00 C ATOM 435 C TYR A 30 -2.462 1.236 4.847 1.00 0.00 C ATOM 436 O TYR A 30 -2.513 0.134 5.391 1.00 0.00 O ATOM 437 CB TYR A 30 -4.405 2.313 6.107 1.00 0.00 C ATOM 438 CG TYR A 30 -3.480 2.308 7.316 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.429 3.214 7.439 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.666 1.379 8.335 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.595 3.192 8.542 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.834 1.352 9.441 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.799 2.261 9.542 1.00 0.00 C ATOM 444 OH TYR A 30 -0.967 2.246 10.644 1.00 0.00 O ATOM 0 H TYR A 30 -5.339 0.902 4.229 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.386 3.099 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.949 3.258 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.144 1.522 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.263 3.945 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.474 0.666 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.785 3.902 8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.994 0.623 10.222 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.246 1.532 11.255 1.00 0.00 H new ATOM 454 N VAL A 31 -1.347 1.727 4.306 1.00 0.00 N ATOM 455 CA VAL A 31 -0.096 0.961 4.247 1.00 0.00 C ATOM 456 C VAL A 31 0.969 1.532 5.201 1.00 0.00 C ATOM 457 O VAL A 31 1.338 2.700 5.107 1.00 0.00 O ATOM 458 CB VAL A 31 0.469 0.947 2.804 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.754 0.122 2.725 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.583 0.426 1.822 1.00 0.00 C ATOM 0 H VAL A 31 -1.282 2.660 3.898 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.331 -0.056 4.559 1.00 0.00 H new ATOM 0 HB VAL A 31 0.718 1.971 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.129 0.129 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.504 0.552 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.547 -0.904 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.169 0.423 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.869 -0.588 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.460 1.072 1.852 1.00 0.00 H new ATOM 470 N GLY A 32 1.470 0.695 6.108 1.00 0.00 N ATOM 471 CA GLY A 32 2.484 1.125 7.065 1.00 0.00 C ATOM 472 C GLY A 32 3.751 0.277 7.018 1.00 0.00 C ATOM 473 O GLY A 32 3.801 -0.806 7.604 1.00 0.00 O ATOM 0 H GLY A 32 1.190 -0.282 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.743 2.165 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.065 1.086 8.071 1.00 0.00 H new ATOM 477 N SER A 33 4.766 0.755 6.299 1.00 0.00 N ATOM 478 CA SER A 33 6.071 0.070 6.235 1.00 0.00 C ATOM 479 C SER A 33 7.183 1.019 5.754 1.00 0.00 C ATOM 480 O SER A 33 8.314 0.597 5.497 1.00 0.00 O ATOM 481 CB SER A 33 5.998 -1.132 5.279 1.00 0.00 C ATOM 482 OG SER A 33 5.749 -0.715 3.943 1.00 0.00 O ATOM 0 H SER A 33 4.717 1.613 5.750 1.00 0.00 H new ATOM 0 HA SER A 33 6.308 -0.269 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.934 -1.689 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.209 -1.810 5.604 1.00 0.00 H new ATOM 0 HG SER A 33 5.283 -1.428 3.459 1.00 0.00 H new ATOM 488 N LEU A 34 6.871 2.311 5.668 1.00 0.00 N ATOM 489 CA LEU A 34 7.767 3.287 5.036 1.00 0.00 C ATOM 490 C LEU A 34 8.790 3.848 6.038 1.00 0.00 C ATOM 491 O LEU A 34 8.554 4.878 6.667 1.00 0.00 O ATOM 492 CB LEU A 34 6.942 4.439 4.430 1.00 0.00 C ATOM 493 CG LEU A 34 5.632 4.023 3.730 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.931 5.241 3.136 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.883 2.966 2.654 1.00 0.00 C ATOM 0 H LEU A 34 6.004 2.710 6.028 1.00 0.00 H new ATOM 0 HA LEU A 34 8.317 2.775 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.700 5.146 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.565 4.969 3.710 1.00 0.00 H new ATOM 0 HG LEU A 34 4.980 3.580 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.009 4.927 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.697 5.950 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.585 5.717 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.938 2.696 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.563 3.366 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.326 2.081 3.110 1.00 0.00 H new ATOM 507 N HIS A 35 9.929 3.171 6.189 1.00 0.00 N ATOM 508 CA HIS A 35 10.940 3.603 7.167 1.00 0.00 C ATOM 509 C HIS A 35 11.701 4.869 6.713 1.00 0.00 C ATOM 510 O HIS A 35 12.857 4.803 6.302 1.00 0.00 O ATOM 511 CB HIS A 35 11.914 2.456 7.518 1.00 0.00 C ATOM 512 CG HIS A 35 12.720 1.901 6.373 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.650 0.901 6.540 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.741 2.202 5.050 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.204 0.612 5.382 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.672 1.385 4.458 1.00 0.00 N ATOM 0 H HIS A 35 10.176 2.335 5.659 1.00 0.00 H new ATOM 0 HA HIS A 35 10.399 3.872 8.074 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.604 2.813 8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.341 1.642 7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.137 2.947 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.967 -0.134 5.217 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.912 1.378 3.467 1.00 0.00 H new ATOM 525 N PHE A 36 11.013 6.014 6.762 1.00 0.00 N ATOM 526 CA PHE A 36 11.617 7.334 6.490 1.00 0.00 C ATOM 527 C PHE A 36 12.303 7.431 5.105 1.00 0.00 C ATOM 528 O PHE A 36 13.127 8.318 4.882 1.00 0.00 O ATOM 529 CB PHE A 36 12.635 7.680 7.592 1.00 0.00 C ATOM 530 CG PHE A 36 12.054 7.689 8.987 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.402 8.813 9.477 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.160 6.573 9.808 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.873 8.823 10.754 1.00 0.00 C ATOM 534 CE2 PHE A 36 11.631 6.579 11.085 1.00 0.00 C ATOM 535 CZ PHE A 36 10.987 7.704 11.558 1.00 0.00 C ATOM 0 H PHE A 36 10.020 6.058 6.991 1.00 0.00 H new ATOM 0 HA PHE A 36 10.796 8.050 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.453 6.960 7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.063 8.660 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.307 9.689 8.853 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.662 5.689 9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.371 9.705 11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.722 5.704 11.712 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.572 7.710 12.555 1.00 0.00 H new ATOM 545 N ASN A 37 11.945 6.552 4.165 1.00 0.00 N ATOM 546 CA ASN A 37 12.623 6.527 2.856 1.00 0.00 C ATOM 547 C ASN A 37 11.743 5.966 1.724 1.00 0.00 C ATOM 548 O ASN A 37 11.814 6.443 0.590 1.00 0.00 O ATOM 549 CB ASN A 37 13.922 5.715 2.956 1.00 0.00 C ATOM 550 CG ASN A 37 14.681 5.656 1.642 1.00 0.00 C ATOM 551 OD1 ASN A 37 14.484 4.753 0.834 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.553 6.617 1.411 1.00 0.00 N ATOM 0 H ASN A 37 11.205 5.859 4.277 1.00 0.00 H new ATOM 0 HA ASN A 37 12.842 7.563 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.562 6.155 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.688 4.701 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.086 6.624 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.695 7.354 2.102 1.00 0.00 H new ATOM 559 N ILE A 38 10.932 4.953 2.025 1.00 0.00 N ATOM 560 CA ILE A 38 10.113 4.285 0.999 1.00 0.00 C ATOM 561 C ILE A 38 9.143 5.271 0.320 1.00 0.00 C ATOM 562 O ILE A 38 8.399 5.987 0.992 1.00 0.00 O ATOM 563 CB ILE A 38 9.314 3.097 1.590 1.00 0.00 C ATOM 564 CG1 ILE A 38 10.247 2.134 2.348 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.562 2.353 0.485 1.00 0.00 C ATOM 566 CD1 ILE A 38 11.354 1.547 1.496 1.00 0.00 C ATOM 0 H ILE A 38 10.820 4.574 2.965 1.00 0.00 H new ATOM 0 HA ILE A 38 10.806 3.901 0.250 1.00 0.00 H new ATOM 0 HB ILE A 38 8.586 3.495 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.693 2.664 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.652 1.320 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.006 1.522 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.869 3.036 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.274 1.971 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.966 0.880 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.918 0.987 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.975 2.351 1.102 1.00 0.00 H new ATOM 578 N THR A 39 9.155 5.292 -1.015 1.00 0.00 N ATOM 579 CA THR A 39 8.394 6.285 -1.791 1.00 0.00 C ATOM 580 C THR A 39 7.253 5.660 -2.606 1.00 0.00 C ATOM 581 O THR A 39 7.063 4.439 -2.618 1.00 0.00 O ATOM 582 CB THR A 39 9.311 7.042 -2.781 1.00 0.00 C ATOM 583 OG1 THR A 39 9.826 6.134 -3.771 1.00 0.00 O ATOM 584 CG2 THR A 39 10.470 7.720 -2.055 1.00 0.00 C ATOM 0 H THR A 39 9.684 4.632 -1.586 1.00 0.00 H new ATOM 0 HA THR A 39 7.973 6.966 -1.051 1.00 0.00 H new ATOM 0 HB THR A 39 8.713 7.813 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.404 6.623 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.096 8.243 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.078 8.434 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.065 6.968 -1.537 1.00 0.00 H new ATOM 592 N GLU A 40 6.508 6.527 -3.298 1.00 0.00 N ATOM 593 CA GLU A 40 5.418 6.118 -4.199 1.00 0.00 C ATOM 594 C GLU A 40 5.856 4.999 -5.162 1.00 0.00 C ATOM 595 O GLU A 40 5.143 4.014 -5.357 1.00 0.00 O ATOM 596 CB GLU A 40 4.960 7.326 -5.030 1.00 0.00 C ATOM 597 CG GLU A 40 4.538 8.541 -4.207 1.00 0.00 C ATOM 598 CD GLU A 40 4.413 9.796 -5.058 1.00 0.00 C ATOM 599 OE1 GLU A 40 3.649 9.778 -6.045 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.109 10.792 -4.768 1.00 0.00 O ATOM 0 H GLU A 40 6.642 7.537 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 40 4.605 5.740 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.770 7.619 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.124 7.021 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.583 8.336 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.267 8.712 -3.415 1.00 0.00 H new ATOM 607 N ASP A 41 7.033 5.176 -5.761 1.00 0.00 N ATOM 608 CA ASP A 41 7.574 4.241 -6.757 1.00 0.00 C ATOM 609 C ASP A 41 7.573 2.785 -6.259 1.00 0.00 C ATOM 610 O ASP A 41 7.190 1.865 -6.990 1.00 0.00 O ATOM 611 CB ASP A 41 9.001 4.659 -7.132 1.00 0.00 C ATOM 612 CG ASP A 41 9.047 5.986 -7.873 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.352 6.940 -7.458 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.794 6.085 -8.869 1.00 0.00 O ATOM 0 H ASP A 41 7.642 5.972 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 41 6.925 4.284 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.604 4.732 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.451 3.885 -7.753 1.00 0.00 H new ATOM 619 N MET A 42 8.005 2.577 -5.020 1.00 0.00 N ATOM 620 CA MET A 42 8.064 1.231 -4.443 1.00 0.00 C ATOM 621 C MET A 42 6.651 0.661 -4.258 1.00 0.00 C ATOM 622 O MET A 42 6.361 -0.481 -4.635 1.00 0.00 O ATOM 623 CB MET A 42 8.795 1.256 -3.094 1.00 0.00 C ATOM 624 CG MET A 42 10.108 2.030 -3.119 1.00 0.00 C ATOM 625 SD MET A 42 11.214 1.499 -4.440 1.00 0.00 S ATOM 626 CE MET A 42 12.628 2.558 -4.132 1.00 0.00 C ATOM 0 H MET A 42 8.320 3.318 -4.394 1.00 0.00 H new ATOM 0 HA MET A 42 8.615 0.591 -5.132 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.139 1.697 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.994 0.231 -2.780 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.895 3.092 -3.236 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.612 1.910 -2.160 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.405 2.351 -4.868 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.324 3.602 -4.208 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.016 2.365 -3.132 1.00 0.00 H new ATOM 636 N LEU A 43 5.776 1.484 -3.688 1.00 0.00 N ATOM 637 CA LEU A 43 4.385 1.103 -3.427 1.00 0.00 C ATOM 638 C LEU A 43 3.645 0.723 -4.723 1.00 0.00 C ATOM 639 O LEU A 43 3.027 -0.335 -4.805 1.00 0.00 O ATOM 640 CB LEU A 43 3.673 2.257 -2.712 1.00 0.00 C ATOM 641 CG LEU A 43 4.291 2.646 -1.356 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.688 3.944 -0.827 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.118 1.513 -0.342 1.00 0.00 C ATOM 0 H LEU A 43 6.007 2.433 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 43 4.380 0.219 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.679 3.131 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.630 1.983 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 43 5.358 2.813 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.144 4.193 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.876 4.749 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.613 3.819 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.561 1.806 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.056 1.310 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.613 0.615 -0.712 1.00 0.00 H new ATOM 655 N ARG A 44 3.719 1.584 -5.737 1.00 0.00 N ATOM 656 CA ARG A 44 3.103 1.294 -7.039 1.00 0.00 C ATOM 657 C ARG A 44 3.659 -0.001 -7.654 1.00 0.00 C ATOM 658 O ARG A 44 2.898 -0.835 -8.151 1.00 0.00 O ATOM 659 CB ARG A 44 3.293 2.481 -8.005 1.00 0.00 C ATOM 660 CG ARG A 44 3.388 2.084 -9.482 1.00 0.00 C ATOM 661 CD ARG A 44 3.101 3.255 -10.418 1.00 0.00 C ATOM 662 NE ARG A 44 1.665 3.432 -10.628 1.00 0.00 N ATOM 663 CZ ARG A 44 1.015 4.543 -10.432 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.627 5.604 -10.020 1.00 0.00 N ATOM 665 NH2 ARG A 44 -0.257 4.585 -10.651 1.00 0.00 N ATOM 0 H ARG A 44 4.196 2.484 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 44 2.036 1.147 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.460 3.173 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.199 3.019 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.385 1.694 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.682 1.278 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.524 4.169 -10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.592 3.085 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 44 1.133 2.625 -10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.631 5.578 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.106 6.468 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.746 3.751 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.772 5.452 -10.499 1.00 0.00 H new ATOM 679 N GLY A 45 4.981 -0.168 -7.603 1.00 0.00 N ATOM 680 CA GLY A 45 5.615 -1.354 -8.174 1.00 0.00 C ATOM 681 C GLY A 45 5.060 -2.666 -7.627 1.00 0.00 C ATOM 682 O GLY A 45 4.921 -3.642 -8.364 1.00 0.00 O ATOM 0 H GLY A 45 5.627 0.496 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.488 -1.338 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.687 -1.313 -7.979 1.00 0.00 H new ATOM 686 N ILE A 46 4.757 -2.696 -6.331 1.00 0.00 N ATOM 687 CA ILE A 46 4.211 -3.899 -5.688 1.00 0.00 C ATOM 688 C ILE A 46 2.671 -3.988 -5.794 1.00 0.00 C ATOM 689 O ILE A 46 2.122 -5.020 -6.180 1.00 0.00 O ATOM 690 CB ILE A 46 4.619 -3.955 -4.195 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.147 -3.867 -4.060 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.090 -5.230 -3.532 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.634 -3.855 -2.627 1.00 0.00 C ATOM 0 H ILE A 46 4.879 -1.903 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 46 4.634 -4.748 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 46 4.174 -3.102 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.598 -4.712 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.495 -2.963 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.389 -5.246 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.002 -5.250 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.501 -6.102 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.722 -3.791 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.213 -2.994 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.318 -4.771 -2.128 1.00 0.00 H new ATOM 705 N PHE A 47 1.984 -2.897 -5.450 1.00 0.00 N ATOM 706 CA PHE A 47 0.517 -2.902 -5.311 1.00 0.00 C ATOM 707 C PHE A 47 -0.239 -2.869 -6.655 1.00 0.00 C ATOM 708 O PHE A 47 -1.234 -3.575 -6.825 1.00 0.00 O ATOM 709 CB PHE A 47 0.073 -1.715 -4.446 1.00 0.00 C ATOM 710 CG PHE A 47 0.368 -1.883 -2.973 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.651 -1.696 -2.474 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.645 -2.221 -2.085 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.914 -1.844 -1.127 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.386 -2.371 -0.737 1.00 0.00 C ATOM 715 CZ PHE A 47 0.894 -2.181 -0.258 1.00 0.00 C ATOM 0 H PHE A 47 2.417 -1.993 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 47 0.261 -3.848 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.568 -0.812 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.999 -1.564 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.452 -1.432 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.649 -2.369 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.916 -1.696 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.184 -2.636 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.099 -2.296 0.796 1.00 0.00 H new ATOM 725 N GLU A 48 0.222 -2.059 -7.608 1.00 0.00 N ATOM 726 CA GLU A 48 -0.520 -1.859 -8.865 1.00 0.00 C ATOM 727 C GLU A 48 -0.661 -3.158 -9.697 1.00 0.00 C ATOM 728 O GLU A 48 -1.707 -3.377 -10.312 1.00 0.00 O ATOM 729 CB GLU A 48 0.106 -0.739 -9.708 1.00 0.00 C ATOM 730 CG GLU A 48 -0.748 -0.338 -10.910 1.00 0.00 C ATOM 731 CD GLU A 48 -0.322 0.986 -11.518 1.00 0.00 C ATOM 732 OE1 GLU A 48 0.783 1.053 -12.089 1.00 0.00 O ATOM 733 OE2 GLU A 48 -1.082 1.974 -11.408 1.00 0.00 O ATOM 0 H GLU A 48 1.094 -1.534 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.528 -1.558 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.266 0.135 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.086 -1.062 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.687 -1.118 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.792 -0.273 -10.603 1.00 0.00 H new ATOM 740 N PRO A 49 0.373 -4.039 -9.749 1.00 0.00 N ATOM 741 CA PRO A 49 0.249 -5.373 -10.379 1.00 0.00 C ATOM 742 C PRO A 49 -1.028 -6.144 -9.978 1.00 0.00 C ATOM 743 O PRO A 49 -1.421 -7.099 -10.652 1.00 0.00 O ATOM 744 CB PRO A 49 1.497 -6.102 -9.879 1.00 0.00 C ATOM 745 CG PRO A 49 2.511 -5.022 -9.720 1.00 0.00 C ATOM 746 CD PRO A 49 1.752 -3.800 -9.267 1.00 0.00 C ATOM 0 HA PRO A 49 0.171 -5.293 -11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.308 -6.613 -8.935 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.829 -6.858 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.269 -5.303 -8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.030 -4.833 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.783 -3.689 -8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.172 -2.888 -9.692 1.00 0.00 H new ATOM 754 N PHE A 50 -1.667 -5.737 -8.878 1.00 0.00 N ATOM 755 CA PHE A 50 -2.946 -6.332 -8.466 1.00 0.00 C ATOM 756 C PHE A 50 -4.128 -5.706 -9.227 1.00 0.00 C ATOM 757 O PHE A 50 -5.031 -6.411 -9.680 1.00 0.00 O ATOM 758 CB PHE A 50 -3.160 -6.174 -6.954 1.00 0.00 C ATOM 759 CG PHE A 50 -2.298 -7.082 -6.112 1.00 0.00 C ATOM 760 CD1 PHE A 50 -1.021 -6.698 -5.725 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.773 -8.319 -5.697 1.00 0.00 C ATOM 762 CE1 PHE A 50 -0.240 -7.530 -4.943 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.997 -9.151 -4.912 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.729 -8.757 -4.536 1.00 0.00 C ATOM 0 H PHE A 50 -1.324 -5.003 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.903 -7.394 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.959 -5.139 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.207 -6.369 -6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.633 -5.740 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.763 -8.636 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.752 -7.221 -4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.383 -10.108 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.120 -9.406 -3.925 1.00 0.00 H new ATOM 774 N GLY A 51 -4.112 -4.384 -9.375 1.00 0.00 N ATOM 775 CA GLY A 51 -5.196 -3.687 -10.062 1.00 0.00 C ATOM 776 C GLY A 51 -4.736 -2.401 -10.738 1.00 0.00 C ATOM 777 O GLY A 51 -3.849 -2.424 -11.591 1.00 0.00 O ATOM 0 H GLY A 51 -3.367 -3.778 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.631 -4.350 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.984 -3.454 -9.345 1.00 0.00 H new ATOM 781 N ARG A 52 -5.357 -1.282 -10.378 1.00 0.00 N ATOM 782 CA ARG A 52 -4.958 0.037 -10.883 1.00 0.00 C ATOM 783 C ARG A 52 -5.027 1.101 -9.785 1.00 0.00 C ATOM 784 O ARG A 52 -6.042 1.252 -9.099 1.00 0.00 O ATOM 785 CB ARG A 52 -5.824 0.458 -12.078 1.00 0.00 C ATOM 786 CG ARG A 52 -5.406 -0.187 -13.396 1.00 0.00 C ATOM 787 CD ARG A 52 -3.955 0.139 -13.746 1.00 0.00 C ATOM 788 NE ARG A 52 -3.563 -0.397 -15.047 1.00 0.00 N ATOM 789 CZ ARG A 52 -2.360 -0.312 -15.542 1.00 0.00 C ATOM 790 NH1 ARG A 52 -1.412 0.279 -14.883 1.00 0.00 N ATOM 791 NH2 ARG A 52 -2.112 -0.815 -16.707 1.00 0.00 N ATOM 0 H ARG A 52 -6.146 -1.258 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.923 -0.046 -11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.863 0.201 -11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.779 1.542 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.531 -1.268 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.061 0.160 -14.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.818 1.220 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.298 -0.266 -12.976 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.276 -0.868 -15.604 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.604 0.684 -13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.475 0.339 -15.281 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.855 -1.275 -17.233 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.173 -0.752 -17.100 1.00 0.00 H new ATOM 805 N ILE A 53 -3.942 1.852 -9.646 1.00 0.00 N ATOM 806 CA ILE A 53 -3.816 2.844 -8.580 1.00 0.00 C ATOM 807 C ILE A 53 -4.099 4.266 -9.087 1.00 0.00 C ATOM 808 O ILE A 53 -3.429 4.767 -9.993 1.00 0.00 O ATOM 809 CB ILE A 53 -2.407 2.779 -7.937 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.162 1.369 -7.365 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.261 3.844 -6.851 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.771 1.152 -6.801 1.00 0.00 C ATOM 0 H ILE A 53 -3.130 1.794 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.564 2.604 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.657 2.981 -8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.893 1.177 -6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.340 0.636 -8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.265 3.782 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.404 4.832 -7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.010 3.679 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.687 0.134 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.032 1.308 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.593 1.858 -5.990 1.00 0.00 H new ATOM 824 N GLU A 54 -5.099 4.904 -8.488 1.00 0.00 N ATOM 825 CA GLU A 54 -5.485 6.272 -8.836 1.00 0.00 C ATOM 826 C GLU A 54 -4.460 7.283 -8.306 1.00 0.00 C ATOM 827 O GLU A 54 -3.932 8.109 -9.055 1.00 0.00 O ATOM 828 CB GLU A 54 -6.875 6.585 -8.256 1.00 0.00 C ATOM 829 CG GLU A 54 -8.006 5.761 -8.867 1.00 0.00 C ATOM 830 CD GLU A 54 -8.292 6.136 -10.313 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.124 7.041 -10.539 1.00 0.00 O ATOM 832 OE2 GLU A 54 -7.677 5.541 -11.224 1.00 0.00 O ATOM 0 H GLU A 54 -5.666 4.490 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.517 6.354 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.855 6.413 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.089 7.643 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.748 4.703 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.911 5.898 -8.275 1.00 0.00 H new ATOM 839 N SER A 55 -4.186 7.211 -7.006 1.00 0.00 N ATOM 840 CA SER A 55 -3.233 8.123 -6.364 1.00 0.00 C ATOM 841 C SER A 55 -2.540 7.476 -5.160 1.00 0.00 C ATOM 842 O SER A 55 -3.105 6.605 -4.494 1.00 0.00 O ATOM 843 CB SER A 55 -3.940 9.406 -5.913 1.00 0.00 C ATOM 844 OG SER A 55 -3.034 10.309 -5.295 1.00 0.00 O ATOM 0 H SER A 55 -4.609 6.532 -6.373 1.00 0.00 H new ATOM 0 HA SER A 55 -2.472 8.362 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.406 9.888 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.739 9.156 -5.215 1.00 0.00 H new ATOM 0 HG SER A 55 -3.515 11.118 -5.020 1.00 0.00 H new ATOM 850 N ILE A 56 -1.307 7.903 -4.898 1.00 0.00 N ATOM 851 CA ILE A 56 -0.546 7.446 -3.728 1.00 0.00 C ATOM 852 C ILE A 56 -0.170 8.639 -2.835 1.00 0.00 C ATOM 853 O ILE A 56 0.562 9.536 -3.261 1.00 0.00 O ATOM 854 CB ILE A 56 0.751 6.700 -4.146 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.419 5.507 -5.059 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.534 6.240 -2.912 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.635 4.747 -5.552 1.00 0.00 C ATOM 0 H ILE A 56 -0.806 8.571 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.184 6.755 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 56 1.379 7.393 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.231 4.819 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.144 5.868 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.438 5.720 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.806 7.107 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.916 5.566 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.315 3.922 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.277 5.418 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.188 4.353 -4.699 1.00 0.00 H new ATOM 869 N GLN A 57 -0.680 8.656 -1.606 1.00 0.00 N ATOM 870 CA GLN A 57 -0.390 9.744 -0.663 1.00 0.00 C ATOM 871 C GLN A 57 0.337 9.223 0.579 1.00 0.00 C ATOM 872 O GLN A 57 -0.103 8.268 1.207 1.00 0.00 O ATOM 873 CB GLN A 57 -1.689 10.443 -0.241 1.00 0.00 C ATOM 874 CG GLN A 57 -2.482 11.029 -1.403 1.00 0.00 C ATOM 875 CD GLN A 57 -1.709 12.071 -2.205 1.00 0.00 C ATOM 876 OE1 GLN A 57 -1.918 12.222 -3.404 1.00 0.00 O ATOM 877 NE2 GLN A 57 -0.828 12.808 -1.556 1.00 0.00 N ATOM 0 H GLN A 57 -1.296 7.932 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 57 0.259 10.458 -1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.318 9.729 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.449 11.241 0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.785 10.221 -2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.395 11.483 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.675 12.660 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.300 13.526 -2.052 1.00 0.00 H new ATOM 886 N LEU A 58 1.449 9.853 0.934 1.00 0.00 N ATOM 887 CA LEU A 58 2.196 9.474 2.140 1.00 0.00 C ATOM 888 C LEU A 58 1.879 10.422 3.307 1.00 0.00 C ATOM 889 O LEU A 58 1.734 11.633 3.120 1.00 0.00 O ATOM 890 CB LEU A 58 3.710 9.449 1.872 1.00 0.00 C ATOM 891 CG LEU A 58 4.190 8.367 0.882 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.809 8.717 -0.557 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.694 8.150 1.010 1.00 0.00 C ATOM 0 H LEU A 58 1.858 10.627 0.410 1.00 0.00 H new ATOM 0 HA LEU A 58 1.880 8.468 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.010 10.425 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.227 9.304 2.821 1.00 0.00 H new ATOM 0 HG LEU A 58 3.686 7.435 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.162 7.934 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.725 8.801 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.268 9.666 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.012 7.383 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.216 9.082 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.930 7.829 2.025 1.00 0.00 H new ATOM 905 N MET A 59 1.787 9.870 4.515 1.00 0.00 N ATOM 906 CA MET A 59 1.413 10.658 5.693 1.00 0.00 C ATOM 907 C MET A 59 2.648 11.184 6.439 1.00 0.00 C ATOM 908 O MET A 59 3.313 10.460 7.188 1.00 0.00 O ATOM 909 CB MET A 59 0.527 9.824 6.631 1.00 0.00 C ATOM 910 CG MET A 59 0.279 10.469 7.993 1.00 0.00 C ATOM 911 SD MET A 59 -0.272 12.183 7.884 1.00 0.00 S ATOM 912 CE MET A 59 -1.837 11.988 7.027 1.00 0.00 C ATOM 0 H MET A 59 1.965 8.884 4.706 1.00 0.00 H new ATOM 0 HA MET A 59 0.847 11.524 5.350 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.432 9.647 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.992 8.850 6.782 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.470 9.888 8.531 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.197 10.427 8.579 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.348 12.949 6.980 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.655 11.624 6.016 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.459 11.272 7.564 1.00 0.00 H new ATOM 1033 N LYS A 68 5.865 10.028 9.103 1.00 0.00 N ATOM 1034 CA LYS A 68 5.365 9.172 10.193 1.00 0.00 C ATOM 1035 C LYS A 68 5.665 7.679 9.941 1.00 0.00 C ATOM 1036 O LYS A 68 5.727 6.883 10.878 1.00 0.00 O ATOM 1037 CB LYS A 68 3.854 9.361 10.389 1.00 0.00 C ATOM 1038 CG LYS A 68 3.439 10.788 10.744 1.00 0.00 C ATOM 1039 CD LYS A 68 1.981 10.846 11.197 1.00 0.00 C ATOM 1040 CE LYS A 68 1.505 12.274 11.447 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.423 13.063 10.188 1.00 0.00 N ATOM 0 HA LYS A 68 5.890 9.479 11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.341 9.063 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.515 8.690 11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.083 11.170 11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.579 11.436 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.349 10.383 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.864 10.262 12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.526 12.251 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.187 12.767 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.838 13.908 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.378 13.353 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.995 12.480 9.440 1.00 0.00 H new ATOM 1055 N GLY A 69 5.818 7.301 8.669 1.00 0.00 N ATOM 1056 CA GLY A 69 6.168 5.920 8.331 1.00 0.00 C ATOM 1057 C GLY A 69 5.066 5.146 7.601 1.00 0.00 C ATOM 1058 O GLY A 69 5.230 3.957 7.310 1.00 0.00 O ATOM 0 H GLY A 69 5.707 7.922 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.063 5.927 7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.422 5.388 9.248 1.00 0.00 H new ATOM 1062 N TYR A 70 3.946 5.801 7.291 1.00 0.00 N ATOM 1063 CA TYR A 70 2.843 5.136 6.580 1.00 0.00 C ATOM 1064 C TYR A 70 2.184 6.050 5.534 1.00 0.00 C ATOM 1065 O TYR A 70 2.291 7.276 5.603 1.00 0.00 O ATOM 1066 CB TYR A 70 1.792 4.615 7.578 1.00 0.00 C ATOM 1067 CG TYR A 70 1.149 5.681 8.452 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.741 6.087 9.647 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.062 6.266 8.094 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.147 7.046 10.447 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.660 7.227 8.890 1.00 0.00 C ATOM 1072 CZ TYR A 70 -0.053 7.611 10.066 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.644 8.570 10.859 1.00 0.00 O ATOM 0 H TYR A 70 3.775 6.781 7.516 1.00 0.00 H new ATOM 0 HA TYR A 70 3.274 4.291 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.008 4.102 7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.262 3.873 8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.678 5.646 9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.545 5.964 7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.621 7.352 11.368 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.597 7.673 8.591 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.483 8.865 10.446 1.00 0.00 H new ATOM 1083 N GLY A 71 1.505 5.434 4.567 1.00 0.00 N ATOM 1084 CA GLY A 71 0.840 6.173 3.499 1.00 0.00 C ATOM 1085 C GLY A 71 -0.476 5.524 3.065 1.00 0.00 C ATOM 1086 O GLY A 71 -0.702 4.339 3.314 1.00 0.00 O ATOM 0 H GLY A 71 1.402 4.421 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.645 7.192 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.507 6.242 2.640 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.344 6.300 2.419 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.633 5.798 1.922 1.00 0.00 C ATOM 1092 C PHE A 72 -2.626 5.664 0.386 1.00 0.00 C ATOM 1093 O PHE A 72 -2.343 6.627 -0.330 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.766 6.738 2.359 1.00 0.00 C ATOM 1095 CG PHE A 72 -3.878 6.887 3.855 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -4.617 5.979 4.598 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.241 7.929 4.518 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -4.719 6.107 5.970 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.342 8.061 5.890 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.080 7.149 6.617 1.00 0.00 C ATOM 0 H PHE A 72 -1.180 7.288 2.224 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.797 4.808 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.605 7.720 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.711 6.362 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.118 5.163 4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.660 8.644 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.298 5.393 6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.844 8.877 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.158 7.249 7.690 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.940 4.468 -0.110 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.988 4.208 -1.556 1.00 0.00 C ATOM 1112 C ILE A 73 -4.432 3.989 -2.032 1.00 0.00 C ATOM 1113 O ILE A 73 -5.177 3.202 -1.449 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.136 2.970 -1.930 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.690 3.141 -1.429 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.158 2.737 -3.440 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.180 1.916 -1.633 1.00 0.00 C ATOM 0 H ILE A 73 -3.166 3.658 0.467 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.578 5.087 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.568 2.095 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.235 3.987 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.710 3.387 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.554 1.863 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.184 2.571 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.752 3.611 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.183 2.115 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.250 1.071 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.233 1.680 -2.696 1.00 0.00 H new ATOM 1129 N THR A 74 -4.817 4.681 -3.097 1.00 0.00 N ATOM 1130 CA THR A 74 -6.193 4.603 -3.615 1.00 0.00 C ATOM 1131 C THR A 74 -6.277 3.790 -4.918 1.00 0.00 C ATOM 1132 O THR A 74 -5.739 4.193 -5.949 1.00 0.00 O ATOM 1133 CB THR A 74 -6.780 6.016 -3.859 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.779 6.760 -2.631 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.206 5.945 -4.408 1.00 0.00 C ATOM 0 H THR A 74 -4.204 5.303 -3.623 1.00 0.00 H new ATOM 0 HA THR A 74 -6.779 4.092 -2.851 1.00 0.00 H new ATOM 0 HB THR A 74 -6.154 6.514 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.149 7.653 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.585 6.954 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.205 5.405 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.845 5.425 -3.694 1.00 0.00 H new ATOM 1143 N PHE A 75 -6.962 2.645 -4.853 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.194 1.778 -6.021 1.00 0.00 C ATOM 1145 C PHE A 75 -8.596 2.007 -6.598 1.00 0.00 C ATOM 1146 O PHE A 75 -9.516 2.369 -5.869 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.065 0.299 -5.631 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.732 -0.076 -5.041 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.416 0.270 -3.735 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.803 -0.790 -5.784 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.204 -0.086 -3.185 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.587 -1.145 -5.237 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.288 -0.794 -3.935 1.00 0.00 C ATOM 0 H PHE A 75 -7.373 2.289 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.443 2.030 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.848 0.056 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.242 -0.314 -6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.128 0.825 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.034 -1.071 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.971 0.189 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.870 -1.697 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.338 -1.074 -3.504 1.00 0.00 H new ATOM 1163 N SER A 76 -8.773 1.770 -7.896 1.00 0.00 N ATOM 1164 CA SER A 76 -10.088 1.960 -8.535 1.00 0.00 C ATOM 1165 C SER A 76 -10.858 0.642 -8.547 1.00 0.00 C ATOM 1166 O SER A 76 -12.029 0.580 -8.928 1.00 0.00 O ATOM 1167 CB SER A 76 -9.934 2.482 -9.971 1.00 0.00 C ATOM 1168 OG SER A 76 -11.200 2.622 -10.610 1.00 0.00 O ATOM 0 H SER A 76 -8.037 1.450 -8.525 1.00 0.00 H new ATOM 0 HA SER A 76 -10.641 2.700 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.423 3.445 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.309 1.797 -10.544 1.00 0.00 H new ATOM 0 HG SER A 76 -11.841 2.000 -10.206 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.177 -0.407 -8.106 1.00 0.00 N ATOM 1175 CA ASP A 77 -10.701 -1.764 -8.130 1.00 0.00 C ATOM 1176 C ASP A 77 -10.777 -2.358 -6.707 1.00 0.00 C ATOM 1177 O ASP A 77 -9.766 -2.786 -6.148 1.00 0.00 O ATOM 1178 CB ASP A 77 -9.811 -2.626 -9.041 1.00 0.00 C ATOM 1179 CG ASP A 77 -8.552 -1.900 -9.491 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -7.648 -1.702 -8.658 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -8.474 -1.510 -10.679 1.00 0.00 O ATOM 0 H ASP A 77 -9.236 -0.338 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.717 -1.750 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.531 -3.537 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.383 -2.930 -9.918 1.00 0.00 H new ATOM 1186 N SER A 78 -11.984 -2.377 -6.135 1.00 0.00 N ATOM 1187 CA SER A 78 -12.197 -2.835 -4.748 1.00 0.00 C ATOM 1188 C SER A 78 -11.693 -4.268 -4.510 1.00 0.00 C ATOM 1189 O SER A 78 -10.886 -4.502 -3.612 1.00 0.00 O ATOM 1190 CB SER A 78 -13.685 -2.743 -4.380 1.00 0.00 C ATOM 1191 OG SER A 78 -14.479 -3.545 -5.241 1.00 0.00 O ATOM 0 H SER A 78 -12.837 -2.080 -6.609 1.00 0.00 H new ATOM 0 HA SER A 78 -11.613 -2.175 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.827 -3.063 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.013 -1.705 -4.440 1.00 0.00 H new ATOM 0 HG SER A 78 -14.651 -4.411 -4.815 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.165 -5.227 -5.308 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.751 -6.631 -5.151 1.00 0.00 C ATOM 1199 C GLU A 79 -10.227 -6.801 -5.281 1.00 0.00 C ATOM 1200 O GLU A 79 -9.597 -7.464 -4.454 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.464 -7.532 -6.175 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.910 -7.892 -5.817 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.870 -6.712 -5.892 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -15.243 -6.312 -7.018 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.273 -6.190 -4.830 1.00 0.00 O ATOM 0 H GLU A 79 -12.829 -5.064 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.040 -6.934 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.458 -7.033 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.892 -8.453 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.258 -8.675 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.934 -8.305 -4.809 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.638 -6.197 -6.314 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.188 -6.290 -6.546 1.00 0.00 C ATOM 1214 C CYS A 80 -7.391 -5.678 -5.387 1.00 0.00 C ATOM 1215 O CYS A 80 -6.367 -6.222 -4.967 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.809 -5.597 -7.860 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.614 -6.306 -9.320 1.00 0.00 S ATOM 0 H CYS A 80 -10.138 -5.638 -7.005 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.935 -7.348 -6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.069 -4.541 -7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.728 -5.652 -7.990 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.237 -5.657 -10.382 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.866 -4.546 -4.875 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.240 -3.892 -3.722 1.00 0.00 C ATOM 1225 C ALA A 81 -7.364 -4.749 -2.455 1.00 0.00 C ATOM 1226 O ALA A 81 -6.415 -4.884 -1.685 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.863 -2.521 -3.493 1.00 0.00 C ATOM 0 H ALA A 81 -8.685 -4.059 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.179 -3.771 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.390 -2.045 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.715 -1.902 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.930 -2.634 -3.303 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.544 -5.329 -2.250 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.785 -6.218 -1.110 1.00 0.00 C ATOM 1235 C LYS A 82 -7.882 -7.460 -1.188 1.00 0.00 C ATOM 1236 O LYS A 82 -7.404 -7.966 -0.168 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.266 -6.627 -1.065 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.666 -7.376 0.205 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.171 -7.641 0.258 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.978 -6.345 0.218 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.440 -6.600 0.318 1.00 0.00 N ATOM 0 H LYS A 82 -9.352 -5.200 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.542 -5.682 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.882 -5.732 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.485 -7.255 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.128 -8.323 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.368 -6.796 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.458 -8.274 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.411 -8.191 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.665 -5.697 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.765 -5.813 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.953 -5.696 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.743 -7.197 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.647 -7.085 1.214 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.652 -7.947 -2.409 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.689 -9.027 -2.645 1.00 0.00 C ATOM 1257 C LYS A 83 -5.270 -8.570 -2.269 1.00 0.00 C ATOM 1258 O LYS A 83 -4.569 -9.235 -1.503 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.723 -9.464 -4.118 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.716 -10.564 -4.453 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.725 -10.925 -5.938 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.724 -12.033 -6.253 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.714 -12.386 -7.698 1.00 0.00 N ATOM 0 H LYS A 83 -8.119 -7.611 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.965 -9.876 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.726 -9.815 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.526 -8.598 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.716 -10.238 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.942 -11.453 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.726 -11.244 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.488 -10.041 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.726 -11.715 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.968 -12.918 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.020 -13.142 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.659 -12.714 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.456 -11.549 -8.258 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.861 -7.422 -2.816 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.554 -6.827 -2.506 1.00 0.00 C ATOM 1279 C ALA A 84 -3.334 -6.731 -0.994 1.00 0.00 C ATOM 1280 O ALA A 84 -2.263 -7.060 -0.487 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.435 -5.446 -3.148 1.00 0.00 C ATOM 0 H ALA A 84 -5.418 -6.882 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.782 -7.476 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.462 -5.017 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.537 -5.537 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.222 -4.797 -2.763 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.368 -6.298 -0.280 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.323 -6.209 1.179 1.00 0.00 C ATOM 1289 C LEU A 85 -3.917 -7.550 1.804 1.00 0.00 C ATOM 1290 O LEU A 85 -2.866 -7.656 2.431 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.696 -5.743 1.717 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.816 -5.544 3.248 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.938 -4.563 3.567 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.075 -6.865 3.973 1.00 0.00 C ATOM 0 H LEU A 85 -5.254 -6.001 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.567 -5.476 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.949 -4.801 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.446 -6.471 1.409 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.865 -5.143 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.011 -4.432 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.725 -3.602 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.881 -4.952 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.153 -6.683 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.005 -7.302 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.252 -7.553 3.781 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.732 -8.583 1.605 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.513 -9.865 2.290 1.00 0.00 C ATOM 1308 C GLU A 86 -3.333 -10.666 1.691 1.00 0.00 C ATOM 1309 O GLU A 86 -2.960 -11.721 2.210 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.807 -10.694 2.286 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.762 -11.913 3.208 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.131 -12.538 3.430 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.541 -13.393 2.618 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.798 -12.169 4.424 1.00 0.00 O ATOM 0 H GLU A 86 -5.541 -8.564 0.984 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.238 -9.642 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.638 -10.055 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.011 -11.027 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.092 -12.660 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.342 -11.619 4.170 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.743 -10.167 0.604 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.534 -10.779 0.037 1.00 0.00 C ATOM 1323 C GLN A 87 -0.261 -10.038 0.489 1.00 0.00 C ATOM 1324 O GLN A 87 0.810 -10.636 0.612 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.611 -10.793 -1.498 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.748 -11.644 -2.062 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.626 -13.120 -1.709 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -1.528 -13.649 -1.548 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.750 -13.801 -1.599 1.00 0.00 N ATOM 0 H GLN A 87 -3.078 -9.346 0.099 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.480 -11.803 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.728 -9.769 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.665 -11.162 -1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.698 -11.265 -1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.769 -11.537 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.646 -13.333 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.724 -14.796 -1.374 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.389 -8.734 0.743 1.00 0.00 N ATOM 1339 CA LEU A 88 0.762 -7.887 1.090 1.00 0.00 C ATOM 1340 C LEU A 88 0.789 -7.495 2.578 1.00 0.00 C ATOM 1341 O LEU A 88 1.797 -6.988 3.074 1.00 0.00 O ATOM 1342 CB LEU A 88 0.747 -6.625 0.219 1.00 0.00 C ATOM 1343 CG LEU A 88 0.787 -6.883 -1.296 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.705 -5.576 -2.073 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.038 -7.666 -1.680 1.00 0.00 C ATOM 0 H LEU A 88 -1.279 -8.237 0.716 1.00 0.00 H new ATOM 0 HA LEU A 88 1.663 -8.470 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.150 -6.051 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.601 -6.004 0.490 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.083 -7.485 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.735 -5.786 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.227 -5.066 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.548 -4.939 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.044 -7.837 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.924 -7.098 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.041 -8.624 -1.161 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.314 -7.713 3.287 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.377 -7.406 4.719 1.00 0.00 C ATOM 1359 C ASN A 89 0.497 -8.392 5.514 1.00 0.00 C ATOM 1360 O ASN A 89 0.053 -9.478 5.895 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.834 -7.436 5.195 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.027 -6.893 6.599 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.217 -6.121 7.106 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.122 -7.262 7.222 1.00 0.00 N ATOM 0 H ASN A 89 -1.175 -8.099 2.899 1.00 0.00 H new ATOM 0 HA ASN A 89 0.014 -6.403 4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.445 -6.856 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.198 -8.463 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.322 -6.906 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.773 -7.905 6.771 1.00 0.00 H new ATOM 1371 N GLY A 90 1.755 -8.010 5.720 1.00 0.00 N ATOM 1372 CA GLY A 90 2.748 -8.903 6.316 1.00 0.00 C ATOM 1373 C GLY A 90 3.998 -9.032 5.445 1.00 0.00 C ATOM 1374 O GLY A 90 5.044 -9.496 5.903 1.00 0.00 O ATOM 0 H GLY A 90 2.113 -7.085 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.029 -8.528 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.307 -9.888 6.465 1.00 0.00 H new ATOM 1378 N PHE A 91 3.881 -8.609 4.184 1.00 0.00 N ATOM 1379 CA PHE A 91 4.997 -8.619 3.228 1.00 0.00 C ATOM 1380 C PHE A 91 6.171 -7.756 3.724 1.00 0.00 C ATOM 1381 O PHE A 91 5.979 -6.628 4.176 1.00 0.00 O ATOM 1382 CB PHE A 91 4.501 -8.116 1.861 1.00 0.00 C ATOM 1383 CG PHE A 91 5.571 -8.017 0.798 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.920 -9.124 0.037 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.219 -6.813 0.556 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.891 -9.030 -0.941 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.190 -6.716 -0.421 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.528 -7.825 -1.169 1.00 0.00 C ATOM 0 H PHE A 91 3.010 -8.249 3.794 1.00 0.00 H new ATOM 0 HA PHE A 91 5.362 -9.642 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.716 -8.784 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.047 -7.134 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.427 -10.069 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.960 -5.942 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.152 -9.898 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.685 -5.773 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.289 -7.751 -1.932 1.00 0.00 H new ATOM 1398 N GLU A 92 7.384 -8.289 3.633 1.00 0.00 N ATOM 1399 CA GLU A 92 8.577 -7.586 4.120 1.00 0.00 C ATOM 1400 C GLU A 92 9.199 -6.691 3.035 1.00 0.00 C ATOM 1401 O GLU A 92 10.049 -7.128 2.255 1.00 0.00 O ATOM 1402 CB GLU A 92 9.599 -8.601 4.651 1.00 0.00 C ATOM 1403 CG GLU A 92 9.170 -9.249 5.966 1.00 0.00 C ATOM 1404 CD GLU A 92 9.961 -10.502 6.299 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.189 -10.408 6.513 1.00 0.00 O ATOM 1406 OE2 GLU A 92 9.356 -11.594 6.336 1.00 0.00 O ATOM 0 H GLU A 92 7.573 -9.206 3.227 1.00 0.00 H new ATOM 0 HA GLU A 92 8.274 -6.928 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.753 -9.378 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.557 -8.102 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.287 -8.527 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.110 -9.499 5.912 1.00 0.00 H new ATOM 1413 N LEU A 93 8.750 -5.439 2.991 1.00 0.00 N ATOM 1414 CA LEU A 93 9.255 -4.454 2.024 1.00 0.00 C ATOM 1415 C LEU A 93 10.529 -3.764 2.539 1.00 0.00 C ATOM 1416 O LEU A 93 11.612 -3.928 1.980 1.00 0.00 O ATOM 1417 CB LEU A 93 8.165 -3.409 1.723 1.00 0.00 C ATOM 1418 CG LEU A 93 8.606 -2.215 0.851 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.203 -2.687 -0.475 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.432 -1.265 0.608 1.00 0.00 C ATOM 0 H LEU A 93 8.032 -5.076 3.617 1.00 0.00 H new ATOM 0 HA LEU A 93 9.512 -4.981 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.334 -3.910 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.786 -3.024 2.669 1.00 0.00 H new ATOM 0 HG LEU A 93 9.383 -1.674 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.504 -1.822 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.073 -3.314 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.458 -3.262 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.762 -0.429 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.631 -1.799 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.065 -0.889 1.563 1.00 0.00 H new ATOM 1432 N ALA A 94 10.390 -3.002 3.614 1.00 0.00 N ATOM 1433 CA ALA A 94 11.516 -2.264 4.202 1.00 0.00 C ATOM 1434 C ALA A 94 12.345 -3.146 5.157 1.00 0.00 C ATOM 1435 O ALA A 94 12.817 -2.677 6.194 1.00 0.00 O ATOM 1436 CB ALA A 94 10.985 -1.039 4.937 1.00 0.00 C ATOM 0 H ALA A 94 9.505 -2.873 4.105 1.00 0.00 H new ATOM 0 HA ALA A 94 12.180 -1.953 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.817 -0.488 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.453 -0.396 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.304 -1.356 5.727 1.00 0.00 H new ATOM 1442 N GLY A 95 12.530 -4.415 4.789 1.00 0.00 N ATOM 1443 CA GLY A 95 13.206 -5.368 5.667 1.00 0.00 C ATOM 1444 C GLY A 95 12.351 -5.737 6.873 1.00 0.00 C ATOM 1445 O GLY A 95 12.843 -6.281 7.863 1.00 0.00 O ATOM 0 H GLY A 95 12.224 -4.803 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.449 -6.270 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.149 -4.941 6.008 1.00 0.00 H new ATOM 1449 N ARG A 96 11.057 -5.452 6.766 1.00 0.00 N ATOM 1450 CA ARG A 96 10.121 -5.626 7.873 1.00 0.00 C ATOM 1451 C ARG A 96 8.684 -5.762 7.342 1.00 0.00 C ATOM 1452 O ARG A 96 8.369 -5.235 6.270 1.00 0.00 O ATOM 1453 CB ARG A 96 10.242 -4.425 8.826 1.00 0.00 C ATOM 1454 CG ARG A 96 9.906 -3.080 8.182 1.00 0.00 C ATOM 1455 CD ARG A 96 10.330 -1.901 9.060 1.00 0.00 C ATOM 1456 NE ARG A 96 9.590 -1.836 10.320 1.00 0.00 N ATOM 1457 CZ ARG A 96 10.082 -2.169 11.485 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.274 -2.663 11.589 1.00 0.00 N ATOM 1459 NH2 ARG A 96 9.373 -2.008 12.551 1.00 0.00 N ATOM 0 H ARG A 96 10.628 -5.095 5.912 1.00 0.00 H new ATOM 0 HA ARG A 96 10.362 -6.539 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.581 -4.583 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.259 -4.385 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.402 -3.008 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.833 -3.025 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.396 -1.978 9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.182 -0.972 8.509 1.00 0.00 H new ATOM 0 HE ARG A 96 8.624 -1.509 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.845 -2.798 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.642 -2.917 12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.431 -1.622 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.754 -2.267 13.461 1.00 0.00 H new ATOM 1473 N PRO A 97 7.801 -6.480 8.072 1.00 0.00 N ATOM 1474 CA PRO A 97 6.403 -6.707 7.649 1.00 0.00 C ATOM 1475 C PRO A 97 5.654 -5.405 7.324 1.00 0.00 C ATOM 1476 O PRO A 97 5.823 -4.387 8.000 1.00 0.00 O ATOM 1477 CB PRO A 97 5.764 -7.417 8.860 1.00 0.00 C ATOM 1478 CG PRO A 97 6.716 -7.192 9.989 1.00 0.00 C ATOM 1479 CD PRO A 97 8.079 -7.124 9.364 1.00 0.00 C ATOM 0 HA PRO A 97 6.356 -7.286 6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.781 -7.004 9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.627 -8.481 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.482 -6.269 10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.659 -8.002 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.774 -6.541 9.968 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.518 -8.114 9.239 1.00 0.00 H new ATOM 1487 N MET A 98 4.825 -5.447 6.288 1.00 0.00 N ATOM 1488 CA MET A 98 4.060 -4.276 5.852 1.00 0.00 C ATOM 1489 C MET A 98 2.617 -4.321 6.374 1.00 0.00 C ATOM 1490 O MET A 98 1.909 -5.314 6.203 1.00 0.00 O ATOM 1491 CB MET A 98 4.082 -4.191 4.320 1.00 0.00 C ATOM 1492 CG MET A 98 3.300 -3.019 3.747 1.00 0.00 C ATOM 1493 SD MET A 98 3.735 -2.682 2.030 1.00 0.00 S ATOM 1494 CE MET A 98 3.410 -4.271 1.265 1.00 0.00 C ATOM 0 H MET A 98 4.662 -6.284 5.728 1.00 0.00 H new ATOM 0 HA MET A 98 4.526 -3.383 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.117 -4.120 3.987 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.678 -5.117 3.911 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.233 -3.229 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.489 -2.130 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.944 -4.118 0.292 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.348 -4.812 1.138 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.740 -4.851 1.900 1.00 0.00 H new ATOM 1504 N LYS A 99 2.193 -3.235 7.012 1.00 0.00 N ATOM 1505 CA LYS A 99 0.847 -3.136 7.589 1.00 0.00 C ATOM 1506 C LYS A 99 -0.164 -2.585 6.571 1.00 0.00 C ATOM 1507 O LYS A 99 -0.213 -1.384 6.329 1.00 0.00 O ATOM 1508 CB LYS A 99 0.889 -2.221 8.825 1.00 0.00 C ATOM 1509 CG LYS A 99 1.685 -2.787 9.997 1.00 0.00 C ATOM 1510 CD LYS A 99 1.674 -1.839 11.197 1.00 0.00 C ATOM 1511 CE LYS A 99 2.309 -2.476 12.428 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.754 -2.773 12.235 1.00 0.00 N ATOM 0 H LYS A 99 2.765 -2.401 7.146 1.00 0.00 H new ATOM 0 HA LYS A 99 0.523 -4.137 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.319 -1.262 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.132 -2.027 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.267 -3.750 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.714 -2.968 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.211 -0.925 10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.647 -1.553 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.190 -1.808 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.781 -3.399 12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.142 -3.189 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.868 -3.445 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.263 -1.893 12.015 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.967 -3.464 5.974 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.977 -3.043 4.989 1.00 0.00 C ATOM 1528 C VAL A 100 -3.405 -3.296 5.508 1.00 0.00 C ATOM 1529 O VAL A 100 -3.829 -4.443 5.653 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.789 -3.770 3.631 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.756 -3.224 2.581 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.343 -3.656 3.148 1.00 0.00 C ATOM 0 H VAL A 100 -0.943 -4.468 6.150 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.837 -1.973 4.837 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.014 -4.826 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.604 -3.750 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.782 -3.373 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.573 -2.159 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.236 -4.173 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.083 -2.605 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.323 -4.108 3.883 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.140 -2.220 5.791 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.511 -2.345 6.289 1.00 0.00 C ATOM 1544 C GLY A 101 -6.524 -1.532 5.481 1.00 0.00 C ATOM 1545 O GLY A 101 -6.181 -0.504 4.902 1.00 0.00 O ATOM 0 H GLY A 101 -3.813 -1.260 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.802 -3.395 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.543 -2.022 7.330 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.778 -1.994 5.435 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.835 -1.275 4.704 1.00 0.00 C ATOM 1551 C HIS A 102 -9.235 0.029 5.418 1.00 0.00 C ATOM 1552 O HIS A 102 -9.637 0.015 6.581 1.00 0.00 O ATOM 1553 CB HIS A 102 -10.065 -2.178 4.492 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.546 -2.891 5.725 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.949 -2.244 6.876 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.691 -4.213 5.979 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.319 -3.132 7.773 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.175 -4.332 7.257 1.00 0.00 N ATOM 0 H HIS A 102 -8.087 -2.853 5.889 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.431 -1.005 3.728 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.881 -1.570 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.826 -2.920 3.731 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -10.958 -1.233 7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.467 -5.023 5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.680 -2.912 8.767 1.00 0.00 H new