USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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 151:sc= 0.659 USER MOD Set 1.2: A 57 GLN : amide:sc= 0.604 K(o=1.3,f=-0.33) USER MOD Single : A 27 MET CE :methyl -165:sc= 0 (180deg=-0.285) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 12:sc= 2.05 USER MOD Single : A 35 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -0.316! X(o=-0.32!,f=-0.046) USER MOD Single : A 39 THR OG1 : rot -110:sc= -0.711 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -163:sc= -0.0739 (180deg=-0.473) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0121 (180deg=-0.193) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0596 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 80 CYS SG : rot -83:sc= -3.96! USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -0.0102 (180deg=-0.175) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.551 K(o=0.55,f=-3.6!) USER MOD Single : A 98 MET CE :methyl -113:sc= -0.413 (180deg=-2.67!) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= -3.03! (180deg=-4.73!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.191 3.103 -5.610 1.00 0.00 N ATOM 360 CA PRO A 26 -12.742 2.895 -5.404 1.00 0.00 C ATOM 361 C PRO A 26 -12.398 2.594 -3.932 1.00 0.00 C ATOM 362 O PRO A 26 -12.931 3.228 -3.017 1.00 0.00 O ATOM 363 CB PRO A 26 -12.116 4.232 -5.850 1.00 0.00 C ATOM 364 CG PRO A 26 -13.177 4.912 -6.655 1.00 0.00 C ATOM 365 CD PRO A 26 -14.485 4.473 -6.060 1.00 0.00 C ATOM 0 HA PRO A 26 -12.370 2.035 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.825 4.837 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.216 4.067 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.070 5.996 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.111 4.631 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.789 5.114 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.291 4.494 -6.793 1.00 0.00 H new ATOM 373 N MET A 27 -11.504 1.629 -3.706 1.00 0.00 N ATOM 374 CA MET A 27 -11.153 1.204 -2.345 1.00 0.00 C ATOM 375 C MET A 27 -9.833 1.845 -1.877 1.00 0.00 C ATOM 376 O MET A 27 -8.853 1.903 -2.624 1.00 0.00 O ATOM 377 CB MET A 27 -11.063 -0.328 -2.272 1.00 0.00 C ATOM 378 CG MET A 27 -10.859 -0.867 -0.862 1.00 0.00 C ATOM 379 SD MET A 27 -10.844 -2.671 -0.812 1.00 0.00 S ATOM 380 CE MET A 27 -10.601 -2.960 0.936 1.00 0.00 C ATOM 0 H MET A 27 -11.010 1.127 -4.444 1.00 0.00 H new ATOM 0 HA MET A 27 -11.942 1.544 -1.674 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.976 -0.756 -2.686 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.239 -0.664 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.918 -0.487 -0.463 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.653 -0.495 -0.215 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.306 -3.997 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.819 -2.298 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.530 -2.761 1.470 1.00 0.00 H new ATOM 390 N ARG A 28 -9.820 2.318 -0.630 1.00 0.00 N ATOM 391 CA ARG A 28 -8.667 3.035 -0.069 1.00 0.00 C ATOM 392 C ARG A 28 -7.990 2.220 1.051 1.00 0.00 C ATOM 393 O ARG A 28 -8.610 1.908 2.069 1.00 0.00 O ATOM 394 CB ARG A 28 -9.138 4.401 0.460 1.00 0.00 C ATOM 395 CG ARG A 28 -8.039 5.286 1.047 1.00 0.00 C ATOM 396 CD ARG A 28 -8.590 6.663 1.417 1.00 0.00 C ATOM 397 NE ARG A 28 -7.600 7.515 2.077 1.00 0.00 N ATOM 398 CZ ARG A 28 -7.012 8.542 1.510 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.205 8.815 0.254 1.00 0.00 N ATOM 400 NH2 ARG A 28 -6.215 9.291 2.199 1.00 0.00 N ATOM 0 H ARG A 28 -10.601 2.218 0.018 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.924 3.182 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.621 4.941 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.896 4.234 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.616 4.809 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.230 5.395 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.946 7.160 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.451 6.540 2.074 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.351 7.296 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.822 8.227 -0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.740 9.617 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.043 9.084 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.758 10.089 1.759 1.00 0.00 H new ATOM 414 N LEU A 29 -6.718 1.876 0.853 1.00 0.00 N ATOM 415 CA LEU A 29 -5.961 1.078 1.826 1.00 0.00 C ATOM 416 C LEU A 29 -5.003 1.941 2.662 1.00 0.00 C ATOM 417 O LEU A 29 -4.434 2.921 2.177 1.00 0.00 O ATOM 418 CB LEU A 29 -5.155 -0.015 1.108 1.00 0.00 C ATOM 419 CG LEU A 29 -5.976 -1.043 0.316 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.052 -2.072 -0.332 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.000 -1.729 1.218 1.00 0.00 C ATOM 0 H LEU A 29 -6.185 2.138 0.024 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.689 0.625 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.455 0.466 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.561 -0.548 1.850 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.518 -0.519 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.647 -2.795 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.364 -1.567 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.484 -2.590 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.570 -2.453 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.484 -2.242 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.677 -0.983 1.633 1.00 0.00 H new ATOM 433 N TYR A 30 -4.836 1.551 3.919 1.00 0.00 N ATOM 434 CA TYR A 30 -3.868 2.168 4.828 1.00 0.00 C ATOM 435 C TYR A 30 -2.615 1.284 4.967 1.00 0.00 C ATOM 436 O TYR A 30 -2.700 0.127 5.383 1.00 0.00 O ATOM 437 CB TYR A 30 -4.522 2.400 6.205 1.00 0.00 C ATOM 438 CG TYR A 30 -3.529 2.584 7.343 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.803 3.763 7.486 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.315 1.568 8.271 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.892 3.920 8.516 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.406 1.717 9.298 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.699 2.895 9.420 1.00 0.00 C ATOM 444 OH TYR A 30 -0.788 3.044 10.446 1.00 0.00 O ATOM 0 H TYR A 30 -5.370 0.793 4.343 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.559 3.129 4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.160 3.282 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.169 1.553 6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.953 4.568 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.871 0.646 8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.335 4.840 8.612 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.249 0.915 10.004 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.775 2.231 10.993 1.00 0.00 H new ATOM 454 N VAL A 31 -1.457 1.830 4.610 1.00 0.00 N ATOM 455 CA VAL A 31 -0.187 1.098 4.712 1.00 0.00 C ATOM 456 C VAL A 31 0.784 1.810 5.668 1.00 0.00 C ATOM 457 O VAL A 31 1.212 2.936 5.406 1.00 0.00 O ATOM 458 CB VAL A 31 0.488 0.941 3.325 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.782 0.131 3.436 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.476 0.302 2.323 1.00 0.00 C ATOM 0 H VAL A 31 -1.366 2.778 4.246 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.420 0.109 5.106 1.00 0.00 H new ATOM 0 HB VAL A 31 0.746 1.934 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.237 0.035 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.474 0.641 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.558 -0.860 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.018 0.201 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.774 -0.683 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.359 0.932 2.215 1.00 0.00 H new ATOM 470 N GLY A 32 1.129 1.155 6.776 1.00 0.00 N ATOM 471 CA GLY A 32 2.051 1.754 7.741 1.00 0.00 C ATOM 472 C GLY A 32 3.266 0.880 8.039 1.00 0.00 C ATOM 473 O GLY A 32 3.261 0.100 8.991 1.00 0.00 O ATOM 0 H GLY A 32 0.791 0.226 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.390 2.717 7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.516 1.950 8.670 1.00 0.00 H new ATOM 477 N SER A 33 4.312 1.032 7.225 1.00 0.00 N ATOM 478 CA SER A 33 5.585 0.294 7.395 1.00 0.00 C ATOM 479 C SER A 33 6.693 0.922 6.536 1.00 0.00 C ATOM 480 O SER A 33 7.636 0.248 6.115 1.00 0.00 O ATOM 481 CB SER A 33 5.429 -1.193 7.016 1.00 0.00 C ATOM 482 OG SER A 33 4.717 -1.928 8.008 1.00 0.00 O ATOM 0 H SER A 33 4.310 1.667 6.427 1.00 0.00 H new ATOM 0 HA SER A 33 5.859 0.359 8.448 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.906 -1.271 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.415 -1.636 6.875 1.00 0.00 H new ATOM 0 HG SER A 33 4.300 -1.306 8.640 1.00 0.00 H new ATOM 488 N LEU A 34 6.579 2.226 6.296 1.00 0.00 N ATOM 489 CA LEU A 34 7.514 2.942 5.424 1.00 0.00 C ATOM 490 C LEU A 34 8.631 3.600 6.247 1.00 0.00 C ATOM 491 O LEU A 34 8.418 4.635 6.875 1.00 0.00 O ATOM 492 CB LEU A 34 6.760 4.008 4.610 1.00 0.00 C ATOM 493 CG LEU A 34 5.412 3.557 4.022 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.788 4.672 3.192 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.570 2.284 3.194 1.00 0.00 C ATOM 0 H LEU A 34 5.846 2.813 6.694 1.00 0.00 H new ATOM 0 HA LEU A 34 7.969 2.224 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.587 4.874 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.401 4.338 3.793 1.00 0.00 H new ATOM 0 HG LEU A 34 4.741 3.332 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.835 4.333 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.623 5.546 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.459 4.936 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.601 1.989 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.263 2.468 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.959 1.485 3.826 1.00 0.00 H new ATOM 507 N HIS A 35 9.819 3.001 6.246 1.00 0.00 N ATOM 508 CA HIS A 35 10.937 3.513 7.055 1.00 0.00 C ATOM 509 C HIS A 35 11.561 4.799 6.462 1.00 0.00 C ATOM 510 O HIS A 35 12.695 4.796 5.992 1.00 0.00 O ATOM 511 CB HIS A 35 12.003 2.415 7.255 1.00 0.00 C ATOM 512 CG HIS A 35 12.679 1.948 5.997 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.860 2.481 5.532 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.342 0.978 5.113 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.219 1.867 4.427 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.317 0.949 4.148 1.00 0.00 N ATOM 0 H HIS A 35 10.038 2.167 5.701 1.00 0.00 H new ATOM 0 HA HIS A 35 10.532 3.790 8.028 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.763 2.789 7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.533 1.557 7.737 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.378 3.238 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.468 0.345 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.104 2.079 3.846 1.00 0.00 H new ATOM 525 N PHE A 36 10.784 5.890 6.472 1.00 0.00 N ATOM 526 CA PHE A 36 11.257 7.228 6.051 1.00 0.00 C ATOM 527 C PHE A 36 11.952 7.232 4.671 1.00 0.00 C ATOM 528 O PHE A 36 12.688 8.164 4.344 1.00 0.00 O ATOM 529 CB PHE A 36 12.206 7.803 7.118 1.00 0.00 C ATOM 530 CG PHE A 36 11.553 8.007 8.466 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.359 6.937 9.331 1.00 0.00 C ATOM 532 CD2 PHE A 36 11.132 9.269 8.866 1.00 0.00 C ATOM 533 CE1 PHE A 36 10.757 7.122 10.560 1.00 0.00 C ATOM 534 CE2 PHE A 36 10.530 9.457 10.096 1.00 0.00 C ATOM 535 CZ PHE A 36 10.345 8.382 10.943 1.00 0.00 C ATOM 0 H PHE A 36 9.809 5.877 6.771 1.00 0.00 H new ATOM 0 HA PHE A 36 10.371 7.854 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.057 7.132 7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.598 8.757 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.683 5.949 9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.277 10.113 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.609 6.281 11.221 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.205 10.443 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.878 8.528 11.906 1.00 0.00 H new ATOM 545 N ASN A 37 11.690 6.217 3.848 1.00 0.00 N ATOM 546 CA ASN A 37 12.390 6.072 2.562 1.00 0.00 C ATOM 547 C ASN A 37 11.472 5.485 1.475 1.00 0.00 C ATOM 548 O ASN A 37 11.549 5.876 0.313 1.00 0.00 O ATOM 549 CB ASN A 37 13.624 5.178 2.760 1.00 0.00 C ATOM 550 CG ASN A 37 14.699 5.330 1.684 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.882 5.195 1.970 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.321 5.593 0.447 1.00 0.00 N ATOM 0 H ASN A 37 11.005 5.486 4.042 1.00 0.00 H new ATOM 0 HA ASN A 37 12.698 7.061 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.066 5.401 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.302 4.137 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.019 5.687 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.331 5.702 0.229 1.00 0.00 H new ATOM 559 N ILE A 38 10.620 4.535 1.849 1.00 0.00 N ATOM 560 CA ILE A 38 9.704 3.900 0.888 1.00 0.00 C ATOM 561 C ILE A 38 8.758 4.938 0.252 1.00 0.00 C ATOM 562 O ILE A 38 7.864 5.466 0.914 1.00 0.00 O ATOM 563 CB ILE A 38 8.864 2.778 1.552 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.776 1.778 2.287 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.012 2.055 0.506 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.742 1.038 1.382 1.00 0.00 C ATOM 0 H ILE A 38 10.540 4.185 2.804 1.00 0.00 H new ATOM 0 HA ILE A 38 10.324 3.456 0.109 1.00 0.00 H new ATOM 0 HB ILE A 38 8.199 3.237 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.345 2.313 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.154 1.050 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.429 1.271 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.338 2.767 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.661 1.611 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.347 0.354 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.182 0.473 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.392 1.755 0.880 1.00 0.00 H new ATOM 578 N THR A 39 8.968 5.219 -1.033 1.00 0.00 N ATOM 579 CA THR A 39 8.219 6.267 -1.748 1.00 0.00 C ATOM 580 C THR A 39 6.978 5.717 -2.461 1.00 0.00 C ATOM 581 O THR A 39 6.772 4.500 -2.539 1.00 0.00 O ATOM 582 CB THR A 39 9.111 6.960 -2.808 1.00 0.00 C ATOM 583 OG1 THR A 39 9.521 6.009 -3.803 1.00 0.00 O ATOM 584 CG2 THR A 39 10.348 7.582 -2.167 1.00 0.00 C ATOM 0 H THR A 39 9.656 4.734 -1.610 1.00 0.00 H new ATOM 0 HA THR A 39 7.904 6.981 -0.987 1.00 0.00 H new ATOM 0 HB THR A 39 8.524 7.752 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.481 5.832 -3.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.954 8.061 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.042 8.325 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.933 6.805 -1.675 1.00 0.00 H new ATOM 592 N GLU A 40 6.165 6.628 -3.001 1.00 0.00 N ATOM 593 CA GLU A 40 4.964 6.264 -3.766 1.00 0.00 C ATOM 594 C GLU A 40 5.294 5.308 -4.921 1.00 0.00 C ATOM 595 O GLU A 40 4.578 4.340 -5.160 1.00 0.00 O ATOM 596 CB GLU A 40 4.296 7.529 -4.327 1.00 0.00 C ATOM 597 CG GLU A 40 3.771 8.492 -3.261 1.00 0.00 C ATOM 598 CD GLU A 40 3.230 9.790 -3.848 1.00 0.00 C ATOM 599 OE1 GLU A 40 2.834 9.797 -5.035 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.200 10.810 -3.126 1.00 0.00 O ATOM 0 H GLU A 40 6.317 7.634 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 40 4.283 5.753 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.015 8.057 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.468 7.233 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.982 8.000 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.574 8.723 -2.560 1.00 0.00 H new ATOM 607 N ASP A 41 6.388 5.588 -5.629 1.00 0.00 N ATOM 608 CA ASP A 41 6.804 4.779 -6.777 1.00 0.00 C ATOM 609 C ASP A 41 7.151 3.338 -6.362 1.00 0.00 C ATOM 610 O ASP A 41 6.844 2.386 -7.079 1.00 0.00 O ATOM 611 CB ASP A 41 8.002 5.436 -7.464 1.00 0.00 C ATOM 612 CG ASP A 41 7.721 6.883 -7.828 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.109 7.125 -8.891 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.101 7.780 -7.040 1.00 0.00 O ATOM 0 H ASP A 41 7.006 6.374 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 41 5.968 4.726 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.869 5.389 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.255 4.877 -8.365 1.00 0.00 H new ATOM 619 N MET A 42 7.782 3.182 -5.195 1.00 0.00 N ATOM 620 CA MET A 42 8.124 1.851 -4.674 1.00 0.00 C ATOM 621 C MET A 42 6.845 1.063 -4.351 1.00 0.00 C ATOM 622 O MET A 42 6.649 -0.068 -4.816 1.00 0.00 O ATOM 623 CB MET A 42 8.995 1.980 -3.412 1.00 0.00 C ATOM 624 CG MET A 42 10.280 2.769 -3.629 1.00 0.00 C ATOM 625 SD MET A 42 11.361 2.022 -4.866 1.00 0.00 S ATOM 626 CE MET A 42 12.703 3.211 -4.905 1.00 0.00 C ATOM 0 H MET A 42 8.066 3.955 -4.594 1.00 0.00 H new ATOM 0 HA MET A 42 8.687 1.313 -5.437 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.412 2.462 -2.627 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.249 0.982 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.030 3.784 -3.938 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.817 2.847 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.454 2.888 -5.626 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.316 4.187 -5.197 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.156 3.281 -3.916 1.00 0.00 H new ATOM 636 N LEU A 43 5.973 1.685 -3.559 1.00 0.00 N ATOM 637 CA LEU A 43 4.655 1.123 -3.245 1.00 0.00 C ATOM 638 C LEU A 43 3.873 0.811 -4.527 1.00 0.00 C ATOM 639 O LEU A 43 3.214 -0.218 -4.629 1.00 0.00 O ATOM 640 CB LEU A 43 3.865 2.111 -2.377 1.00 0.00 C ATOM 641 CG LEU A 43 4.482 2.402 -1.000 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.821 3.620 -0.359 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.372 1.175 -0.091 1.00 0.00 C ATOM 0 H LEU A 43 6.156 2.587 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 43 4.798 0.191 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.767 3.051 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.858 1.720 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 43 5.540 2.627 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.273 3.809 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.963 4.490 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.755 3.432 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.814 1.400 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.322 0.913 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.901 0.337 -0.545 1.00 0.00 H new ATOM 655 N ARG A 44 3.967 1.701 -5.509 1.00 0.00 N ATOM 656 CA ARG A 44 3.317 1.499 -6.803 1.00 0.00 C ATOM 657 C ARG A 44 3.859 0.241 -7.500 1.00 0.00 C ATOM 658 O ARG A 44 3.097 -0.591 -7.977 1.00 0.00 O ATOM 659 CB ARG A 44 3.520 2.735 -7.690 1.00 0.00 C ATOM 660 CG ARG A 44 2.797 2.666 -9.028 1.00 0.00 C ATOM 661 CD ARG A 44 2.974 3.953 -9.825 1.00 0.00 C ATOM 662 NE ARG A 44 2.427 5.115 -9.122 1.00 0.00 N ATOM 663 CZ ARG A 44 3.073 6.236 -8.932 1.00 0.00 C ATOM 664 NH1 ARG A 44 4.287 6.383 -9.359 1.00 0.00 N ATOM 665 NH2 ARG A 44 2.496 7.213 -8.315 1.00 0.00 N ATOM 0 H ARG A 44 4.489 2.574 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 44 2.250 1.356 -6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.177 3.617 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.587 2.867 -7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.178 1.824 -9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.736 2.484 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.034 4.114 -10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.482 3.850 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 44 1.478 5.045 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.751 5.619 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.779 7.263 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.539 7.109 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.997 8.089 -8.165 1.00 0.00 H new ATOM 679 N GLY A 45 5.182 0.092 -7.524 1.00 0.00 N ATOM 680 CA GLY A 45 5.798 -1.080 -8.138 1.00 0.00 C ATOM 681 C GLY A 45 5.300 -2.401 -7.546 1.00 0.00 C ATOM 682 O GLY A 45 5.234 -3.420 -8.240 1.00 0.00 O ATOM 0 H GLY A 45 5.842 0.762 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.596 -1.070 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.880 -1.020 -8.017 1.00 0.00 H new ATOM 686 N ILE A 46 4.965 -2.386 -6.255 1.00 0.00 N ATOM 687 CA ILE A 46 4.439 -3.579 -5.570 1.00 0.00 C ATOM 688 C ILE A 46 2.912 -3.729 -5.735 1.00 0.00 C ATOM 689 O ILE A 46 2.417 -4.794 -6.110 1.00 0.00 O ATOM 690 CB ILE A 46 4.773 -3.542 -4.058 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.283 -3.359 -3.849 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.284 -4.815 -3.362 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.689 -3.235 -2.395 1.00 0.00 C ATOM 0 H ILE A 46 5.047 -1.563 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 46 4.923 -4.435 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 46 4.255 -2.692 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.807 -4.206 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.609 -2.467 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.529 -4.767 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.204 -4.903 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.770 -5.683 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.770 -3.109 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.194 -2.371 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.395 -4.136 -1.857 1.00 0.00 H new ATOM 705 N PHE A 47 2.181 -2.649 -5.456 1.00 0.00 N ATOM 706 CA PHE A 47 0.710 -2.678 -5.398 1.00 0.00 C ATOM 707 C PHE A 47 0.036 -2.558 -6.784 1.00 0.00 C ATOM 708 O PHE A 47 -1.075 -3.055 -6.978 1.00 0.00 O ATOM 709 CB PHE A 47 0.198 -1.544 -4.488 1.00 0.00 C ATOM 710 CG PHE A 47 0.463 -1.735 -3.008 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.753 -1.669 -2.496 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.588 -1.969 -2.125 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.992 -1.834 -1.144 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.352 -2.133 -0.770 1.00 0.00 C ATOM 715 CZ PHE A 47 0.938 -2.064 -0.281 1.00 0.00 C ATOM 0 H PHE A 47 2.584 -1.732 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 47 0.440 -3.653 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.659 -0.609 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.876 -1.437 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.582 -1.486 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.599 -2.023 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.001 -1.783 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.176 -2.315 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.123 -2.190 0.776 1.00 0.00 H new ATOM 725 N GLU A 48 0.697 -1.905 -7.745 1.00 0.00 N ATOM 726 CA GLU A 48 0.072 -1.613 -9.051 1.00 0.00 C ATOM 727 C GLU A 48 -0.420 -2.884 -9.779 1.00 0.00 C ATOM 728 O GLU A 48 -1.558 -2.913 -10.256 1.00 0.00 O ATOM 729 CB GLU A 48 1.016 -0.827 -9.978 1.00 0.00 C ATOM 730 CG GLU A 48 0.295 -0.185 -11.158 1.00 0.00 C ATOM 731 CD GLU A 48 1.235 0.365 -12.220 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.771 1.475 -12.038 1.00 0.00 O ATOM 733 OE2 GLU A 48 1.425 -0.306 -13.257 1.00 0.00 O ATOM 0 H GLU A 48 1.655 -1.569 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.797 -0.996 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.519 -0.051 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.789 -1.498 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.364 -0.923 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.337 0.623 -10.791 1.00 0.00 H new ATOM 740 N PRO A 49 0.415 -3.954 -9.885 1.00 0.00 N ATOM 741 CA PRO A 49 0.015 -5.216 -10.548 1.00 0.00 C ATOM 742 C PRO A 49 -1.361 -5.752 -10.100 1.00 0.00 C ATOM 743 O PRO A 49 -1.972 -6.570 -10.791 1.00 0.00 O ATOM 744 CB PRO A 49 1.128 -6.190 -10.139 1.00 0.00 C ATOM 745 CG PRO A 49 2.327 -5.325 -9.963 1.00 0.00 C ATOM 746 CD PRO A 49 1.817 -4.018 -9.406 1.00 0.00 C ATOM 0 HA PRO A 49 -0.096 -5.077 -11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.878 -6.716 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.294 -6.949 -10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.044 -5.786 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.840 -5.171 -10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.869 -3.999 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.403 -3.173 -9.768 1.00 0.00 H new ATOM 754 N PHE A 50 -1.845 -5.288 -8.947 1.00 0.00 N ATOM 755 CA PHE A 50 -3.150 -5.716 -8.429 1.00 0.00 C ATOM 756 C PHE A 50 -4.322 -5.003 -9.132 1.00 0.00 C ATOM 757 O PHE A 50 -5.341 -5.632 -9.424 1.00 0.00 O ATOM 758 CB PHE A 50 -3.223 -5.491 -6.913 1.00 0.00 C ATOM 759 CG PHE A 50 -2.304 -6.394 -6.126 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.717 -7.662 -5.749 1.00 0.00 C ATOM 761 CD2 PHE A 50 -1.033 -5.976 -5.760 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.885 -8.494 -5.025 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.196 -6.804 -5.034 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.625 -8.065 -4.667 1.00 0.00 C ATOM 0 H PHE A 50 -1.356 -4.617 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.246 -6.781 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.973 -4.453 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.248 -5.649 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.703 -8.005 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.693 -4.992 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.222 -9.480 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.791 -6.466 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.026 -8.714 -4.100 1.00 0.00 H new ATOM 774 N GLY A 51 -4.188 -3.701 -9.407 1.00 0.00 N ATOM 775 CA GLY A 51 -5.291 -2.972 -10.039 1.00 0.00 C ATOM 776 C GLY A 51 -4.952 -1.563 -10.529 1.00 0.00 C ATOM 777 O GLY A 51 -5.788 -0.660 -10.422 1.00 0.00 O ATOM 0 H GLY A 51 -3.355 -3.146 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.652 -3.556 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.113 -2.902 -9.327 1.00 0.00 H new ATOM 781 N ARG A 52 -3.741 -1.379 -11.071 1.00 0.00 N ATOM 782 CA ARG A 52 -3.311 -0.102 -11.695 1.00 0.00 C ATOM 783 C ARG A 52 -3.045 1.007 -10.652 1.00 0.00 C ATOM 784 O ARG A 52 -1.985 1.627 -10.657 1.00 0.00 O ATOM 785 CB ARG A 52 -4.368 0.366 -12.722 1.00 0.00 C ATOM 786 CG ARG A 52 -3.856 1.281 -13.844 1.00 0.00 C ATOM 787 CD ARG A 52 -3.260 2.595 -13.341 1.00 0.00 C ATOM 788 NE ARG A 52 -1.802 2.532 -13.213 1.00 0.00 N ATOM 789 CZ ARG A 52 -1.004 3.550 -13.401 1.00 0.00 C ATOM 790 NH1 ARG A 52 -1.485 4.728 -13.648 1.00 0.00 N ATOM 791 NH2 ARG A 52 0.276 3.397 -13.307 1.00 0.00 N ATOM 0 H ARG A 52 -3.025 -2.106 -11.094 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.366 -0.291 -12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.820 -0.516 -13.177 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.160 0.889 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.101 0.747 -14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.678 1.502 -14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.528 3.399 -14.027 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.697 2.843 -12.374 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.383 1.637 -12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.494 4.867 -13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.854 5.516 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.665 2.480 -13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.897 4.193 -13.454 1.00 0.00 H new ATOM 805 N ILE A 53 -4.032 1.263 -9.799 1.00 0.00 N ATOM 806 CA ILE A 53 -3.972 2.317 -8.768 1.00 0.00 C ATOM 807 C ILE A 53 -4.264 3.705 -9.358 1.00 0.00 C ATOM 808 O ILE A 53 -3.795 4.054 -10.444 1.00 0.00 O ATOM 809 CB ILE A 53 -2.610 2.363 -8.013 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.338 1.031 -7.299 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.579 3.517 -7.010 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.009 0.991 -6.573 1.00 0.00 C ATOM 0 H ILE A 53 -4.910 0.744 -9.797 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.747 2.054 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.825 2.528 -8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.139 0.842 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.367 0.224 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.618 3.527 -6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.719 4.461 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.379 3.387 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.886 0.020 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.200 1.148 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.984 1.776 -5.817 1.00 0.00 H new ATOM 824 N GLU A 54 -5.059 4.491 -8.642 1.00 0.00 N ATOM 825 CA GLU A 54 -5.316 5.874 -9.031 1.00 0.00 C ATOM 826 C GLU A 54 -4.209 6.789 -8.492 1.00 0.00 C ATOM 827 O GLU A 54 -3.424 7.354 -9.251 1.00 0.00 O ATOM 828 CB GLU A 54 -6.681 6.335 -8.509 1.00 0.00 C ATOM 829 CG GLU A 54 -7.838 5.426 -8.911 1.00 0.00 C ATOM 830 CD GLU A 54 -9.190 5.984 -8.498 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.491 5.984 -7.290 1.00 0.00 O ATOM 832 OE2 GLU A 54 -9.945 6.448 -9.380 1.00 0.00 O ATOM 0 H GLU A 54 -5.536 4.196 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.324 5.931 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.641 6.396 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.878 7.342 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.823 5.281 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.700 4.445 -8.456 1.00 0.00 H new ATOM 839 N SER A 55 -4.120 6.893 -7.167 1.00 0.00 N ATOM 840 CA SER A 55 -3.144 7.787 -6.530 1.00 0.00 C ATOM 841 C SER A 55 -2.649 7.230 -5.190 1.00 0.00 C ATOM 842 O SER A 55 -3.391 6.560 -4.466 1.00 0.00 O ATOM 843 CB SER A 55 -3.756 9.180 -6.313 1.00 0.00 C ATOM 844 OG SER A 55 -2.822 10.070 -5.718 1.00 0.00 O ATOM 0 H SER A 55 -4.707 6.374 -6.514 1.00 0.00 H new ATOM 0 HA SER A 55 -2.289 7.863 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.089 9.585 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.637 9.097 -5.677 1.00 0.00 H new ATOM 0 HG SER A 55 -3.020 10.988 -5.999 1.00 0.00 H new ATOM 850 N ILE A 56 -1.384 7.503 -4.879 1.00 0.00 N ATOM 851 CA ILE A 56 -0.793 7.143 -3.587 1.00 0.00 C ATOM 852 C ILE A 56 -0.413 8.414 -2.814 1.00 0.00 C ATOM 853 O ILE A 56 0.230 9.309 -3.361 1.00 0.00 O ATOM 854 CB ILE A 56 0.465 6.254 -3.767 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.111 4.976 -4.548 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.082 5.910 -2.409 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.287 4.049 -4.778 1.00 0.00 C ATOM 0 H ILE A 56 -0.740 7.978 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.536 6.576 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 56 1.204 6.812 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.665 4.435 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.311 5.257 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.963 5.286 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.370 6.828 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.353 5.371 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.956 3.172 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.056 4.571 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.697 3.736 -3.818 1.00 0.00 H new ATOM 869 N GLN A 57 -0.822 8.507 -1.552 1.00 0.00 N ATOM 870 CA GLN A 57 -0.530 9.694 -0.739 1.00 0.00 C ATOM 871 C GLN A 57 0.182 9.322 0.563 1.00 0.00 C ATOM 872 O GLN A 57 -0.329 8.539 1.361 1.00 0.00 O ATOM 873 CB GLN A 57 -1.827 10.464 -0.436 1.00 0.00 C ATOM 874 CG GLN A 57 -2.544 10.957 -1.687 1.00 0.00 C ATOM 875 CD GLN A 57 -1.699 11.918 -2.510 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.889 12.677 -1.978 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.863 11.877 -3.816 1.00 0.00 N ATOM 0 H GLN A 57 -1.353 7.783 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 57 0.140 10.334 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.500 9.819 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.594 11.318 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.818 10.101 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.471 11.452 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.543 11.236 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.310 12.486 -4.419 1.00 0.00 H new ATOM 886 N LEU A 58 1.365 9.890 0.774 1.00 0.00 N ATOM 887 CA LEU A 58 2.144 9.622 1.986 1.00 0.00 C ATOM 888 C LEU A 58 1.958 10.748 3.008 1.00 0.00 C ATOM 889 O LEU A 58 1.730 11.899 2.642 1.00 0.00 O ATOM 890 CB LEU A 58 3.633 9.473 1.638 1.00 0.00 C ATOM 891 CG LEU A 58 3.959 8.412 0.571 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.467 8.301 0.354 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.361 7.057 0.948 1.00 0.00 C ATOM 0 H LEU A 58 1.808 10.539 0.124 1.00 0.00 H new ATOM 0 HA LEU A 58 1.785 8.691 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.006 10.437 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.179 9.227 2.549 1.00 0.00 H new ATOM 0 HG LEU A 58 3.507 8.730 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.671 7.545 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.859 9.263 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.949 8.016 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.605 6.325 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.773 6.731 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.278 7.148 1.032 1.00 0.00 H new ATOM 905 N MET A 59 2.048 10.412 4.290 1.00 0.00 N ATOM 906 CA MET A 59 1.890 11.404 5.356 1.00 0.00 C ATOM 907 C MET A 59 3.260 11.902 5.843 1.00 0.00 C ATOM 908 O MET A 59 4.025 11.148 6.449 1.00 0.00 O ATOM 909 CB MET A 59 1.101 10.790 6.521 1.00 0.00 C ATOM 910 CG MET A 59 -0.210 10.135 6.092 1.00 0.00 C ATOM 911 SD MET A 59 -1.375 11.297 5.341 1.00 0.00 S ATOM 912 CE MET A 59 -1.689 12.410 6.709 1.00 0.00 C ATOM 0 H MET A 59 2.229 9.464 4.619 1.00 0.00 H new ATOM 0 HA MET A 59 1.340 12.258 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.723 10.046 7.019 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.886 11.568 7.254 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.006 9.337 5.382 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.678 9.671 6.960 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.593 12.985 6.510 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.820 11.833 7.625 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.845 13.090 6.826 1.00 0.00 H new ATOM 1033 N LYS A 68 6.614 10.371 7.565 1.00 0.00 N ATOM 1034 CA LYS A 68 6.337 9.815 8.903 1.00 0.00 C ATOM 1035 C LYS A 68 6.497 8.283 8.960 1.00 0.00 C ATOM 1036 O LYS A 68 7.166 7.750 9.850 1.00 0.00 O ATOM 1037 CB LYS A 68 4.916 10.206 9.344 1.00 0.00 C ATOM 1038 CG LYS A 68 4.725 11.709 9.552 1.00 0.00 C ATOM 1039 CD LYS A 68 3.262 12.064 9.813 1.00 0.00 C ATOM 1040 CE LYS A 68 3.080 13.534 10.177 1.00 0.00 C ATOM 1041 NZ LYS A 68 3.712 13.860 11.482 1.00 0.00 N ATOM 0 HA LYS A 68 7.075 10.239 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.205 9.859 8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.678 9.687 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.335 12.040 10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.078 12.246 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.671 11.836 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.878 11.441 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.514 14.159 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.017 13.769 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.386 14.795 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.446 13.142 12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.746 13.872 11.373 1.00 0.00 H new ATOM 1055 N GLY A 69 5.872 7.582 8.016 1.00 0.00 N ATOM 1056 CA GLY A 69 5.958 6.121 7.992 1.00 0.00 C ATOM 1057 C GLY A 69 4.684 5.434 7.510 1.00 0.00 C ATOM 1058 O GLY A 69 4.684 4.228 7.253 1.00 0.00 O ATOM 0 H GLY A 69 5.310 7.991 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.785 5.826 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.194 5.764 8.995 1.00 0.00 H new ATOM 1062 N TYR A 70 3.593 6.189 7.388 1.00 0.00 N ATOM 1063 CA TYR A 70 2.316 5.626 6.935 1.00 0.00 C ATOM 1064 C TYR A 70 1.714 6.434 5.774 1.00 0.00 C ATOM 1065 O TYR A 70 1.856 7.658 5.707 1.00 0.00 O ATOM 1066 CB TYR A 70 1.328 5.527 8.110 1.00 0.00 C ATOM 1067 CG TYR A 70 1.181 6.802 8.933 1.00 0.00 C ATOM 1068 CD1 TYR A 70 2.065 7.092 9.970 1.00 0.00 C ATOM 1069 CD2 TYR A 70 0.153 7.705 8.685 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.929 8.240 10.729 1.00 0.00 C ATOM 1071 CE2 TYR A 70 0.014 8.857 9.440 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.904 9.120 10.460 1.00 0.00 C ATOM 1073 OH TYR A 70 0.766 10.266 11.214 1.00 0.00 O ATOM 0 H TYR A 70 3.565 7.187 7.595 1.00 0.00 H new ATOM 0 HA TYR A 70 2.510 4.622 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.349 5.248 7.720 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.650 4.721 8.770 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.872 6.407 10.185 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.549 7.504 7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.624 8.446 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.789 9.548 9.231 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.006 10.778 10.893 1.00 0.00 H new ATOM 1083 N GLY A 71 1.050 5.731 4.858 1.00 0.00 N ATOM 1084 CA GLY A 71 0.450 6.366 3.687 1.00 0.00 C ATOM 1085 C GLY A 71 -0.792 5.627 3.188 1.00 0.00 C ATOM 1086 O GLY A 71 -0.998 4.456 3.512 1.00 0.00 O ATOM 0 H GLY A 71 0.914 4.721 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.182 7.394 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.187 6.412 2.886 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.624 6.311 2.401 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.881 5.734 1.906 1.00 0.00 C ATOM 1092 C PHE A 72 -2.854 5.534 0.380 1.00 0.00 C ATOM 1093 O PHE A 72 -2.572 6.464 -0.377 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.057 6.641 2.292 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.217 6.825 3.782 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.519 7.820 4.454 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.063 5.999 4.510 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.661 7.987 5.818 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.209 6.162 5.874 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.507 7.156 6.529 1.00 0.00 C ATOM 0 H PHE A 72 -1.452 7.267 2.091 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.004 4.754 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.920 7.617 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.977 6.221 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.857 8.472 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.613 5.220 4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.112 8.765 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.871 5.513 6.428 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.619 7.284 7.596 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.161 4.315 -0.058 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.208 3.980 -1.489 1.00 0.00 C ATOM 1112 C ILE A 73 -4.656 3.733 -1.944 1.00 0.00 C ATOM 1113 O ILE A 73 -5.418 3.044 -1.269 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.358 2.721 -1.797 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.911 2.933 -1.327 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.399 2.390 -3.290 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.025 1.713 -1.486 1.00 0.00 C ATOM 0 H ILE A 73 -3.383 3.534 0.559 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.796 4.829 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.781 1.876 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.476 3.761 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.920 3.228 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.796 1.503 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.429 2.201 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.002 3.230 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.980 1.944 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.434 0.888 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.017 1.429 -2.537 1.00 0.00 H new ATOM 1129 N THR A 74 -5.040 4.298 -3.084 1.00 0.00 N ATOM 1130 CA THR A 74 -6.412 4.136 -3.600 1.00 0.00 C ATOM 1131 C THR A 74 -6.436 3.384 -4.942 1.00 0.00 C ATOM 1132 O THR A 74 -5.794 3.794 -5.912 1.00 0.00 O ATOM 1133 CB THR A 74 -7.118 5.505 -3.766 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.070 6.238 -2.529 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.574 5.328 -4.184 1.00 0.00 C ATOM 0 H THR A 74 -4.432 4.870 -3.671 1.00 0.00 H new ATOM 0 HA THR A 74 -6.951 3.543 -2.861 1.00 0.00 H new ATOM 0 HB THR A 74 -6.594 6.057 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.517 7.103 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.043 6.306 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.618 4.797 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.104 4.754 -3.424 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.182 2.277 -4.985 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.293 1.446 -6.194 1.00 0.00 C ATOM 1145 C PHE A 75 -8.597 1.731 -6.956 1.00 0.00 C ATOM 1146 O PHE A 75 -9.621 2.053 -6.356 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.250 -0.044 -5.829 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.912 -0.522 -5.322 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.458 -0.162 -4.060 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.114 -1.350 -6.104 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.238 -0.614 -3.595 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.895 -1.801 -5.641 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.458 -1.434 -4.384 1.00 0.00 C ATOM 0 H PHE A 75 -7.723 1.931 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.447 1.697 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.005 -0.241 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.522 -0.629 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.064 0.478 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.453 -1.644 -7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.895 -0.325 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.284 -2.440 -6.261 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.506 -1.789 -4.018 1.00 0.00 H new ATOM 1163 N SER A 76 -8.552 1.566 -8.277 1.00 0.00 N ATOM 1164 CA SER A 76 -9.725 1.790 -9.141 1.00 0.00 C ATOM 1165 C SER A 76 -10.784 0.684 -8.977 1.00 0.00 C ATOM 1166 O SER A 76 -11.895 0.799 -9.495 1.00 0.00 O ATOM 1167 CB SER A 76 -9.292 1.850 -10.613 1.00 0.00 C ATOM 1168 OG SER A 76 -8.207 2.748 -10.795 1.00 0.00 O ATOM 0 H SER A 76 -7.714 1.276 -8.781 1.00 0.00 H new ATOM 0 HA SER A 76 -10.170 2.738 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.004 0.854 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.134 2.164 -11.230 1.00 0.00 H new ATOM 0 HG SER A 76 -7.951 2.765 -11.741 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.433 -0.389 -8.261 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.330 -1.539 -8.082 1.00 0.00 C ATOM 1176 C ASP A 77 -11.296 -2.060 -6.634 1.00 0.00 C ATOM 1177 O ASP A 77 -10.276 -1.957 -5.948 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.942 -2.657 -9.061 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.900 -3.837 -9.015 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.907 -3.816 -9.748 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.651 -4.788 -8.242 1.00 0.00 O ATOM 0 H ASP A 77 -9.531 -0.487 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.349 -1.212 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.916 -2.255 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.935 -3.003 -8.830 1.00 0.00 H new ATOM 1186 N SER A 78 -12.416 -2.626 -6.185 1.00 0.00 N ATOM 1187 CA SER A 78 -12.544 -3.148 -4.817 1.00 0.00 C ATOM 1188 C SER A 78 -11.675 -4.396 -4.586 1.00 0.00 C ATOM 1189 O SER A 78 -10.878 -4.440 -3.648 1.00 0.00 O ATOM 1190 CB SER A 78 -14.013 -3.476 -4.512 1.00 0.00 C ATOM 1191 OG SER A 78 -14.536 -4.415 -5.441 1.00 0.00 O ATOM 0 H SER A 78 -13.257 -2.737 -6.752 1.00 0.00 H new ATOM 0 HA SER A 78 -12.190 -2.370 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.096 -3.876 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.606 -2.562 -4.543 1.00 0.00 H new ATOM 0 HG SER A 78 -15.472 -4.606 -5.221 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.821 -5.406 -5.445 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.083 -6.671 -5.285 1.00 0.00 C ATOM 1199 C GLU A 79 -9.579 -6.495 -5.530 1.00 0.00 C ATOM 1200 O GLU A 79 -8.761 -7.210 -4.947 1.00 0.00 O ATOM 1201 CB GLU A 79 -11.658 -7.763 -6.206 1.00 0.00 C ATOM 1202 CG GLU A 79 -12.859 -8.502 -5.615 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.014 -7.583 -5.251 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.792 -7.212 -6.152 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.148 -7.215 -4.064 1.00 0.00 O ATOM 0 H GLU A 79 -12.439 -5.379 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.210 -6.987 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.953 -7.309 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.873 -8.486 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.208 -9.245 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.541 -9.044 -4.724 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.217 -5.547 -6.392 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.805 -5.206 -6.615 1.00 0.00 C ATOM 1214 C CYS A 80 -7.125 -4.774 -5.307 1.00 0.00 C ATOM 1215 O CYS A 80 -5.987 -5.154 -5.024 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.690 -4.083 -7.651 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.254 -4.543 -9.304 1.00 0.00 S ATOM 0 H CYS A 80 -9.875 -5.001 -6.948 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.300 -6.097 -6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.268 -3.226 -7.307 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.650 -3.763 -7.710 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.297 -5.159 -9.933 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.841 -3.983 -4.510 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.338 -3.514 -3.216 1.00 0.00 C ATOM 1225 C ALA A 81 -7.499 -4.590 -2.134 1.00 0.00 C ATOM 1226 O ALA A 81 -6.630 -4.767 -1.279 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.059 -2.237 -2.807 1.00 0.00 C ATOM 0 H ALA A 81 -8.778 -3.650 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.274 -3.303 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.678 -1.897 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.888 -1.466 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.128 -2.433 -2.725 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.621 -5.307 -2.185 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.888 -6.418 -1.266 1.00 0.00 C ATOM 1235 C LYS A 82 -7.747 -7.447 -1.312 1.00 0.00 C ATOM 1236 O LYS A 82 -7.221 -7.867 -0.279 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.212 -7.097 -1.649 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.695 -8.145 -0.647 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.236 -7.510 0.631 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.429 -6.597 0.354 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.534 -7.311 -0.340 1.00 0.00 N ATOM 0 H LYS A 82 -9.367 -5.137 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.958 -6.022 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.981 -6.332 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.095 -7.570 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.474 -8.754 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.872 -8.815 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.533 -8.294 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.445 -6.937 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.797 -6.188 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.105 -5.753 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.376 -6.701 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.240 -7.546 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.760 -8.186 0.175 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.372 -7.839 -2.528 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.280 -8.790 -2.735 1.00 0.00 C ATOM 1257 C LYS A 83 -4.917 -8.169 -2.390 1.00 0.00 C ATOM 1258 O LYS A 83 -4.075 -8.821 -1.773 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.288 -9.299 -4.183 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.078 -10.161 -4.538 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.258 -10.887 -5.868 1.00 0.00 C ATOM 1262 CE LYS A 83 -6.280 -12.013 -5.761 1.00 0.00 C ATOM 1263 NZ LYS A 83 -6.533 -12.663 -7.074 1.00 0.00 N ATOM 0 H LYS A 83 -7.810 -7.511 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.437 -9.633 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.197 -9.877 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.325 -8.445 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.188 -9.533 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.910 -10.892 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.578 -10.176 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.301 -11.294 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.924 -12.759 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.216 -11.617 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.234 -13.423 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.897 -11.958 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.646 -13.064 -7.439 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.700 -6.913 -2.791 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.464 -6.194 -2.441 1.00 0.00 C ATOM 1279 C ALA A 84 -3.222 -6.228 -0.926 1.00 0.00 C ATOM 1280 O ALA A 84 -2.110 -6.480 -0.462 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.527 -4.754 -2.941 1.00 0.00 C ATOM 0 H ALA A 84 -5.357 -6.373 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.628 -6.695 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.606 -4.236 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.645 -4.750 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.375 -4.246 -2.482 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.284 -5.994 -0.166 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.236 -6.079 1.293 1.00 0.00 C ATOM 1289 C LEU A 85 -3.886 -7.507 1.738 1.00 0.00 C ATOM 1290 O LEU A 85 -2.849 -7.742 2.352 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.598 -5.635 1.870 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.706 -5.501 3.407 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.916 -4.645 3.766 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.821 -6.866 4.089 1.00 0.00 C ATOM 0 H LEU A 85 -5.199 -5.741 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.457 -5.417 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.854 -4.672 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.353 -6.348 1.539 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.793 -5.024 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.988 -4.553 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.805 -3.655 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.821 -5.114 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.895 -6.729 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.712 -7.380 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.939 -7.463 3.859 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.751 -8.457 1.396 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.596 -9.856 1.817 1.00 0.00 C ATOM 1308 C GLU A 86 -3.248 -10.471 1.399 1.00 0.00 C ATOM 1309 O GLU A 86 -2.721 -11.348 2.085 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.755 -10.690 1.254 1.00 0.00 C ATOM 1311 CG GLU A 86 -7.100 -10.418 1.932 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.172 -10.989 3.342 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -6.774 -10.293 4.301 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.602 -12.152 3.491 1.00 0.00 O ATOM 0 H GLU A 86 -5.577 -8.286 0.822 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.614 -9.867 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.850 -10.489 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.513 -11.748 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.272 -9.342 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.900 -10.847 1.329 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.682 -10.007 0.289 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.446 -10.588 -0.241 1.00 0.00 C ATOM 1323 C GLN A 87 -0.198 -9.925 0.368 1.00 0.00 C ATOM 1324 O GLN A 87 0.793 -10.595 0.665 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.417 -10.445 -1.772 1.00 0.00 C ATOM 1326 CG GLN A 87 -0.291 -11.224 -2.449 1.00 0.00 C ATOM 1327 CD GLN A 87 -0.642 -12.676 -2.769 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -0.075 -13.267 -3.682 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -1.606 -13.253 -2.070 1.00 0.00 N ATOM 0 H GLN A 87 -3.055 -9.234 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.430 -11.643 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.372 -10.782 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.318 -9.390 -2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.017 -10.716 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.587 -11.207 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.064 -12.743 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.891 -14.208 -2.286 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.256 -8.609 0.566 1.00 0.00 N ATOM 1339 CA LEU A 88 0.917 -7.833 0.992 1.00 0.00 C ATOM 1340 C LEU A 88 0.966 -7.608 2.513 1.00 0.00 C ATOM 1341 O LEU A 88 2.036 -7.373 3.074 1.00 0.00 O ATOM 1342 CB LEU A 88 0.929 -6.493 0.255 1.00 0.00 C ATOM 1343 CG LEU A 88 0.904 -6.614 -1.278 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.837 -5.241 -1.934 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.118 -7.399 -1.781 1.00 0.00 C ATOM 0 H LEU A 88 -1.102 -8.053 0.439 1.00 0.00 H new ATOM 0 HA LEU A 88 1.805 -8.412 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.067 -5.907 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.819 -5.938 0.550 1.00 0.00 H new ATOM 0 HG LEU A 88 0.005 -7.163 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.821 -5.356 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.068 -4.727 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.710 -4.656 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.079 -7.472 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.032 -6.885 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.108 -8.400 -1.350 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.183 -7.676 3.177 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.240 -7.502 4.634 1.00 0.00 C ATOM 1359 C ASN A 89 0.496 -8.651 5.347 1.00 0.00 C ATOM 1360 O ASN A 89 -0.034 -9.756 5.488 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.703 -7.417 5.094 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.854 -7.005 6.547 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -0.994 -6.339 7.120 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.965 -7.372 7.146 1.00 0.00 N ATOM 0 H ASN A 89 -1.087 -7.849 2.737 1.00 0.00 H new ATOM 0 HA ASN A 89 0.261 -6.571 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.233 -6.703 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.179 -8.386 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.134 -7.104 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.658 -7.925 6.641 1.00 0.00 H new ATOM 1371 N GLY A 90 1.732 -8.381 5.770 1.00 0.00 N ATOM 1372 CA GLY A 90 2.584 -9.406 6.373 1.00 0.00 C ATOM 1373 C GLY A 90 3.866 -9.655 5.574 1.00 0.00 C ATOM 1374 O GLY A 90 4.777 -10.341 6.040 1.00 0.00 O ATOM 0 H GLY A 90 2.165 -7.460 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.846 -9.104 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.024 -10.338 6.452 1.00 0.00 H new ATOM 1378 N PHE A 91 3.943 -9.081 4.374 1.00 0.00 N ATOM 1379 CA PHE A 91 5.104 -9.263 3.488 1.00 0.00 C ATOM 1380 C PHE A 91 6.334 -8.484 3.985 1.00 0.00 C ATOM 1381 O PHE A 91 6.262 -7.280 4.223 1.00 0.00 O ATOM 1382 CB PHE A 91 4.750 -8.809 2.062 1.00 0.00 C ATOM 1383 CG PHE A 91 5.885 -8.936 1.074 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.274 -10.179 0.599 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.564 -7.809 0.623 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.311 -10.299 -0.305 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.602 -7.925 -0.281 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.978 -9.171 -0.743 1.00 0.00 C ATOM 0 H PHE A 91 3.214 -8.482 3.987 1.00 0.00 H new ATOM 0 HA PHE A 91 5.356 -10.324 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.904 -9.397 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.425 -7.769 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.759 -11.065 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.276 -6.832 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.600 -11.274 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.119 -7.042 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.793 -9.264 -1.446 1.00 0.00 H new ATOM 1398 N GLU A 92 7.461 -9.178 4.131 1.00 0.00 N ATOM 1399 CA GLU A 92 8.717 -8.536 4.531 1.00 0.00 C ATOM 1400 C GLU A 92 9.392 -7.847 3.336 1.00 0.00 C ATOM 1401 O GLU A 92 10.009 -8.503 2.493 1.00 0.00 O ATOM 1402 CB GLU A 92 9.674 -9.562 5.156 1.00 0.00 C ATOM 1403 CG GLU A 92 9.170 -10.161 6.465 1.00 0.00 C ATOM 1404 CD GLU A 92 10.124 -11.197 7.036 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.038 -10.821 7.799 1.00 0.00 O ATOM 1406 OE2 GLU A 92 9.970 -12.393 6.717 1.00 0.00 O ATOM 0 H GLU A 92 7.533 -10.184 3.979 1.00 0.00 H new ATOM 0 HA GLU A 92 8.479 -7.776 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.845 -10.367 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.637 -9.084 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.026 -9.364 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.196 -10.621 6.299 1.00 0.00 H new ATOM 1413 N LEU A 93 9.269 -6.524 3.267 1.00 0.00 N ATOM 1414 CA LEU A 93 9.875 -5.744 2.178 1.00 0.00 C ATOM 1415 C LEU A 93 11.304 -5.304 2.528 1.00 0.00 C ATOM 1416 O LEU A 93 12.274 -5.753 1.917 1.00 0.00 O ATOM 1417 CB LEU A 93 9.013 -4.517 1.854 1.00 0.00 C ATOM 1418 CG LEU A 93 9.572 -3.600 0.749 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.689 -4.350 -0.578 1.00 0.00 C ATOM 1420 CD2 LEU A 93 8.708 -2.350 0.589 1.00 0.00 C ATOM 0 H LEU A 93 8.757 -5.965 3.949 1.00 0.00 H new ATOM 0 HA LEU A 93 9.925 -6.388 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.021 -4.857 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.888 -3.930 2.764 1.00 0.00 H new ATOM 0 HG LEU A 93 10.572 -3.286 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.086 -3.680 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.360 -5.201 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.705 -4.705 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.123 -1.719 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.692 -2.642 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.691 -1.797 1.528 1.00 0.00 H new ATOM 1432 N ALA A 94 11.424 -4.428 3.522 1.00 0.00 N ATOM 1433 CA ALA A 94 12.725 -3.873 3.929 1.00 0.00 C ATOM 1434 C ALA A 94 13.377 -4.699 5.050 1.00 0.00 C ATOM 1435 O ALA A 94 14.099 -4.163 5.892 1.00 0.00 O ATOM 1436 CB ALA A 94 12.536 -2.426 4.377 1.00 0.00 C ATOM 0 H ALA A 94 10.635 -4.082 4.067 1.00 0.00 H new ATOM 0 HA ALA A 94 13.396 -3.912 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.497 -2.010 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.131 -1.840 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.845 -2.393 5.219 1.00 0.00 H new ATOM 1442 N GLY A 95 13.135 -6.009 5.044 1.00 0.00 N ATOM 1443 CA GLY A 95 13.605 -6.875 6.120 1.00 0.00 C ATOM 1444 C GLY A 95 12.608 -6.944 7.264 1.00 0.00 C ATOM 1445 O GLY A 95 12.861 -7.565 8.299 1.00 0.00 O ATOM 0 H GLY A 95 12.618 -6.491 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.780 -7.877 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.561 -6.506 6.492 1.00 0.00 H new ATOM 1449 N ARG A 96 11.459 -6.308 7.056 1.00 0.00 N ATOM 1450 CA ARG A 96 10.393 -6.250 8.051 1.00 0.00 C ATOM 1451 C ARG A 96 9.011 -6.318 7.373 1.00 0.00 C ATOM 1452 O ARG A 96 8.861 -5.907 6.219 1.00 0.00 O ATOM 1453 CB ARG A 96 10.516 -4.963 8.878 1.00 0.00 C ATOM 1454 CG ARG A 96 10.513 -3.674 8.047 1.00 0.00 C ATOM 1455 CD ARG A 96 9.969 -2.485 8.842 1.00 0.00 C ATOM 1456 NE ARG A 96 8.514 -2.573 8.985 1.00 0.00 N ATOM 1457 CZ ARG A 96 7.895 -3.041 10.037 1.00 0.00 C ATOM 1458 NH1 ARG A 96 8.560 -3.406 11.091 1.00 0.00 N ATOM 1459 NH2 ARG A 96 6.606 -3.145 10.029 1.00 0.00 N ATOM 0 H ARG A 96 11.240 -5.817 6.189 1.00 0.00 H new ATOM 0 HA ARG A 96 10.491 -7.109 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.692 -4.923 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.438 -5.005 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.527 -3.454 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.908 -3.820 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.434 -2.458 9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.233 -1.555 8.339 1.00 0.00 H new ATOM 0 HE ARG A 96 7.942 -2.245 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.577 -3.329 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.065 -3.770 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.077 -2.862 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.119 -3.510 10.848 1.00 0.00 H new ATOM 1473 N PRO A 97 7.989 -6.836 8.086 1.00 0.00 N ATOM 1474 CA PRO A 97 6.631 -7.031 7.529 1.00 0.00 C ATOM 1475 C PRO A 97 5.941 -5.734 7.067 1.00 0.00 C ATOM 1476 O PRO A 97 6.248 -4.634 7.536 1.00 0.00 O ATOM 1477 CB PRO A 97 5.854 -7.658 8.699 1.00 0.00 C ATOM 1478 CG PRO A 97 6.627 -7.271 9.914 1.00 0.00 C ATOM 1479 CD PRO A 97 8.066 -7.283 9.489 1.00 0.00 C ATOM 0 HA PRO A 97 6.670 -7.641 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.832 -7.282 8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.791 -8.741 8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.331 -6.285 10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.452 -7.971 10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.674 -6.612 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.506 -8.277 9.575 1.00 0.00 H new ATOM 1487 N MET A 98 5.000 -5.890 6.139 1.00 0.00 N ATOM 1488 CA MET A 98 4.209 -4.776 5.612 1.00 0.00 C ATOM 1489 C MET A 98 2.831 -4.718 6.291 1.00 0.00 C ATOM 1490 O MET A 98 2.037 -5.650 6.172 1.00 0.00 O ATOM 1491 CB MET A 98 4.016 -4.958 4.100 1.00 0.00 C ATOM 1492 CG MET A 98 3.279 -3.812 3.420 1.00 0.00 C ATOM 1493 SD MET A 98 4.376 -2.462 2.961 1.00 0.00 S ATOM 1494 CE MET A 98 5.366 -3.269 1.703 1.00 0.00 C ATOM 0 H MET A 98 4.762 -6.793 5.729 1.00 0.00 H new ATOM 0 HA MET A 98 4.741 -3.847 5.815 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.994 -5.074 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.467 -5.883 3.924 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.776 -4.186 2.528 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.505 -3.435 4.088 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.392 -3.370 2.057 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.955 -4.257 1.495 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.354 -2.672 0.791 1.00 0.00 H new ATOM 1504 N LYS A 99 2.542 -3.628 6.998 1.00 0.00 N ATOM 1505 CA LYS A 99 1.239 -3.471 7.658 1.00 0.00 C ATOM 1506 C LYS A 99 0.214 -2.800 6.726 1.00 0.00 C ATOM 1507 O LYS A 99 0.240 -1.583 6.532 1.00 0.00 O ATOM 1508 CB LYS A 99 1.385 -2.654 8.950 1.00 0.00 C ATOM 1509 CG LYS A 99 2.322 -3.285 9.978 1.00 0.00 C ATOM 1510 CD LYS A 99 2.320 -2.530 11.309 1.00 0.00 C ATOM 1511 CE LYS A 99 1.052 -2.781 12.130 1.00 0.00 C ATOM 1512 NZ LYS A 99 -0.187 -2.323 11.438 1.00 0.00 N ATOM 0 H LYS A 99 3.182 -2.845 7.131 1.00 0.00 H new ATOM 0 HA LYS A 99 0.873 -4.468 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.753 -1.659 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.401 -2.526 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.025 -4.320 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.335 -3.307 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.191 -2.829 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.417 -1.462 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.969 -3.846 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.138 -2.268 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.911 -2.084 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.027 -1.483 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.542 -3.082 10.822 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.680 -3.606 6.149 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.714 -3.104 5.231 1.00 0.00 C ATOM 1528 C VAL A 100 -3.129 -3.419 5.743 1.00 0.00 C ATOM 1529 O VAL A 100 -3.505 -4.581 5.884 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.556 -3.710 3.811 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.573 -3.105 2.846 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.135 -3.519 3.292 1.00 0.00 C ATOM 0 H VAL A 100 -0.711 -4.614 6.300 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.581 -2.023 5.182 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.749 -4.781 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.443 -3.545 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.582 -3.310 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.421 -2.027 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.050 -3.952 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.095 -2.455 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.567 -4.013 3.963 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.909 -2.376 6.007 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.291 -2.553 6.445 1.00 0.00 C ATOM 1544 C GLY A 101 -6.233 -1.550 5.794 1.00 0.00 C ATOM 1545 O GLY A 101 -5.834 -0.427 5.503 1.00 0.00 O ATOM 0 H GLY A 101 -3.611 -1.404 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.619 -3.565 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.343 -2.448 7.529 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.481 -1.944 5.547 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.450 -1.037 4.914 1.00 0.00 C ATOM 1551 C HIS A 102 -8.786 0.140 5.847 1.00 0.00 C ATOM 1552 O HIS A 102 -8.752 -0.001 7.070 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.734 -1.789 4.530 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.638 -2.079 5.690 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.728 -1.299 5.995 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.617 -3.065 6.621 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -12.336 -1.783 7.055 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.685 -2.852 7.455 1.00 0.00 N ATOM 0 H HIS A 102 -7.846 -2.870 5.770 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.994 -0.643 4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.281 -1.201 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.463 -2.729 4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.896 -3.866 6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -13.221 -1.372 7.519 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -11.934 -3.431 8.257 1.00 0.00 H new