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 180:sc= 0.444 USER MOD Set 1.2: A 74 THR OG1 : rot 120:sc= 2.09 USER MOD Single : A 27 MET CE :methyl -157:sc= 0 (180deg=-0.447) USER MOD Single : A 30 TYR OH : rot -36:sc= 0.277 USER MOD Single : A 33 SER OG : rot -10:sc= -0.732 USER MOD Single : A 35 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.27) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -145:sc= -0.183 (180deg=-0.708) USER MOD Single : A 57 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 59 MET CE :methyl -160:sc= -0.126 (180deg=-0.644) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0524 (180deg=-0.338) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 32:sc= 1.34 USER MOD Single : A 80 CYS SG : rot -36:sc= -3.93! USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 1.14 (180deg=-1.23) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.7!) USER MOD Single : A 89 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 98 MET CE :methyl 136:sc= -0.714 (180deg=-4.71!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.551 3.571 -6.452 1.00 0.00 N ATOM 360 CA PRO A 26 -12.170 3.338 -5.989 1.00 0.00 C ATOM 361 C PRO A 26 -12.063 3.055 -4.477 1.00 0.00 C ATOM 362 O PRO A 26 -12.608 3.798 -3.656 1.00 0.00 O ATOM 363 CB PRO A 26 -11.463 4.656 -6.334 1.00 0.00 C ATOM 364 CG PRO A 26 -12.224 5.202 -7.492 1.00 0.00 C ATOM 365 CD PRO A 26 -13.659 4.787 -7.281 1.00 0.00 C ATOM 0 HA PRO A 26 -11.739 2.454 -6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.477 5.346 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.417 4.489 -6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.135 6.287 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.838 4.808 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.232 5.566 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.161 4.584 -8.227 1.00 0.00 H new ATOM 373 N MET A 27 -11.346 1.986 -4.122 1.00 0.00 N ATOM 374 CA MET A 27 -11.153 1.595 -2.717 1.00 0.00 C ATOM 375 C MET A 27 -9.760 2.009 -2.214 1.00 0.00 C ATOM 376 O MET A 27 -8.759 1.819 -2.902 1.00 0.00 O ATOM 377 CB MET A 27 -11.338 0.078 -2.554 1.00 0.00 C ATOM 378 CG MET A 27 -11.116 -0.426 -1.131 1.00 0.00 C ATOM 379 SD MET A 27 -11.348 -2.213 -0.981 1.00 0.00 S ATOM 380 CE MET A 27 -10.942 -2.472 0.751 1.00 0.00 C ATOM 0 H MET A 27 -10.885 1.370 -4.791 1.00 0.00 H new ATOM 0 HA MET A 27 -11.903 2.113 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.346 -0.191 -2.870 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.647 -0.436 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.107 -0.166 -0.811 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.805 0.084 -0.458 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.641 -3.508 0.903 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.124 -1.811 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.815 -2.254 1.366 1.00 0.00 H new ATOM 390 N ARG A 28 -9.704 2.568 -1.009 1.00 0.00 N ATOM 391 CA ARG A 28 -8.445 3.070 -0.440 1.00 0.00 C ATOM 392 C ARG A 28 -7.907 2.159 0.678 1.00 0.00 C ATOM 393 O ARG A 28 -8.654 1.734 1.562 1.00 0.00 O ATOM 394 CB ARG A 28 -8.655 4.493 0.089 1.00 0.00 C ATOM 395 CG ARG A 28 -7.418 5.120 0.725 1.00 0.00 C ATOM 396 CD ARG A 28 -7.575 6.629 0.851 1.00 0.00 C ATOM 397 NE ARG A 28 -7.760 7.243 -0.463 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.526 8.268 -0.704 1.00 0.00 C ATOM 399 NH1 ARG A 28 -9.153 8.868 0.253 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.652 8.698 -1.914 1.00 0.00 N ATOM 0 H ARG A 28 -10.515 2.688 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.698 3.076 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.987 5.127 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.459 4.479 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.251 4.685 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.539 4.891 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.429 6.858 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.694 7.052 1.334 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.251 6.838 -1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.052 8.540 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.749 9.670 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.153 8.235 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.250 9.500 -2.110 1.00 0.00 H new ATOM 414 N LEU A 29 -6.604 1.875 0.629 1.00 0.00 N ATOM 415 CA LEU A 29 -5.948 1.020 1.627 1.00 0.00 C ATOM 416 C LEU A 29 -4.946 1.810 2.485 1.00 0.00 C ATOM 417 O LEU A 29 -4.312 2.759 2.016 1.00 0.00 O ATOM 418 CB LEU A 29 -5.211 -0.142 0.945 1.00 0.00 C ATOM 419 CG LEU A 29 -6.076 -1.058 0.065 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.237 -2.203 -0.492 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.277 -1.593 0.844 1.00 0.00 C ATOM 0 H LEU A 29 -5.977 2.226 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.733 0.631 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.411 0.271 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.739 -0.751 1.716 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.457 -0.470 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.863 -2.844 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.422 -1.798 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.825 -2.786 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.872 -2.238 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.928 -2.164 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.889 -0.759 1.187 1.00 0.00 H new ATOM 433 N TYR A 30 -4.813 1.397 3.739 1.00 0.00 N ATOM 434 CA TYR A 30 -3.828 1.960 4.664 1.00 0.00 C ATOM 435 C TYR A 30 -2.543 1.113 4.667 1.00 0.00 C ATOM 436 O TYR A 30 -2.583 -0.088 4.929 1.00 0.00 O ATOM 437 CB TYR A 30 -4.436 2.023 6.076 1.00 0.00 C ATOM 438 CG TYR A 30 -3.455 2.399 7.170 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.219 3.729 7.492 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.769 1.419 7.883 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.331 4.072 8.490 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.880 1.753 8.881 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.663 3.081 9.181 1.00 0.00 C ATOM 444 OH TYR A 30 -0.780 3.423 10.181 1.00 0.00 O ATOM 0 H TYR A 30 -5.386 0.659 4.148 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.565 2.967 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.252 2.746 6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.871 1.052 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.739 4.507 6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.937 0.378 7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.159 5.111 8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.357 0.980 9.424 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.309 4.246 9.934 1.00 0.00 H new ATOM 454 N VAL A 31 -1.408 1.743 4.372 1.00 0.00 N ATOM 455 CA VAL A 31 -0.113 1.046 4.337 1.00 0.00 C ATOM 456 C VAL A 31 0.848 1.602 5.401 1.00 0.00 C ATOM 457 O VAL A 31 1.147 2.795 5.416 1.00 0.00 O ATOM 458 CB VAL A 31 0.548 1.167 2.938 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.868 0.397 2.887 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.405 0.683 1.847 1.00 0.00 C ATOM 0 H VAL A 31 -1.353 2.738 4.152 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.309 -0.005 4.551 1.00 0.00 H new ATOM 0 HB VAL A 31 0.767 2.220 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.310 0.498 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.553 0.800 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.683 -0.657 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.078 0.776 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.662 -0.361 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.312 1.288 1.861 1.00 0.00 H new ATOM 470 N GLY A 32 1.338 0.731 6.279 1.00 0.00 N ATOM 471 CA GLY A 32 2.221 1.160 7.361 1.00 0.00 C ATOM 472 C GLY A 32 3.558 0.420 7.381 1.00 0.00 C ATOM 473 O GLY A 32 3.654 -0.692 7.906 1.00 0.00 O ATOM 0 H GLY A 32 1.141 -0.270 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.407 2.230 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.716 1.008 8.315 1.00 0.00 H new ATOM 477 N SER A 33 4.586 1.036 6.792 1.00 0.00 N ATOM 478 CA SER A 33 5.950 0.464 6.782 1.00 0.00 C ATOM 479 C SER A 33 6.977 1.425 6.155 1.00 0.00 C ATOM 480 O SER A 33 8.105 1.031 5.840 1.00 0.00 O ATOM 481 CB SER A 33 5.971 -0.863 6.008 1.00 0.00 C ATOM 482 OG SER A 33 5.541 -0.679 4.668 1.00 0.00 O ATOM 0 H SER A 33 4.507 1.933 6.313 1.00 0.00 H new ATOM 0 HA SER A 33 6.228 0.295 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.979 -1.277 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.325 -1.587 6.504 1.00 0.00 H new ATOM 0 HG SER A 33 5.169 0.222 4.564 1.00 0.00 H new ATOM 488 N LEU A 34 6.611 2.696 6.011 1.00 0.00 N ATOM 489 CA LEU A 34 7.452 3.663 5.300 1.00 0.00 C ATOM 490 C LEU A 34 8.551 4.222 6.219 1.00 0.00 C ATOM 491 O LEU A 34 8.393 5.294 6.799 1.00 0.00 O ATOM 492 CB LEU A 34 6.593 4.818 4.752 1.00 0.00 C ATOM 493 CG LEU A 34 5.288 4.403 4.045 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.556 5.629 3.509 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.564 3.406 2.923 1.00 0.00 C ATOM 0 H LEU A 34 5.740 3.083 6.375 1.00 0.00 H new ATOM 0 HA LEU A 34 7.929 3.144 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.341 5.483 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.197 5.395 4.051 1.00 0.00 H new ATOM 0 HG LEU A 34 4.648 3.913 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.637 5.316 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.313 6.298 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.194 6.151 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.625 3.131 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.229 3.860 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.035 2.514 3.336 1.00 0.00 H new ATOM 507 N HIS A 35 9.663 3.492 6.355 1.00 0.00 N ATOM 508 CA HIS A 35 10.740 3.915 7.268 1.00 0.00 C ATOM 509 C HIS A 35 11.610 5.043 6.657 1.00 0.00 C ATOM 510 O HIS A 35 12.790 4.856 6.365 1.00 0.00 O ATOM 511 CB HIS A 35 11.602 2.708 7.717 1.00 0.00 C ATOM 512 CG HIS A 35 12.548 2.157 6.684 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.883 2.503 6.635 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.360 1.272 5.675 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.471 1.860 5.650 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.575 1.107 5.050 1.00 0.00 N ATOM 0 H HIS A 35 9.843 2.621 5.856 1.00 0.00 H new ATOM 0 HA HIS A 35 10.265 4.330 8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.182 3.005 8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.934 1.907 8.034 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.344 3.158 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.432 0.787 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.514 1.937 5.379 1.00 0.00 H new ATOM 525 N PHE A 36 10.993 6.210 6.442 1.00 0.00 N ATOM 526 CA PHE A 36 11.687 7.411 5.936 1.00 0.00 C ATOM 527 C PHE A 36 12.437 7.175 4.599 1.00 0.00 C ATOM 528 O PHE A 36 13.178 8.040 4.132 1.00 0.00 O ATOM 529 CB PHE A 36 12.653 7.930 7.020 1.00 0.00 C ATOM 530 CG PHE A 36 13.285 9.270 6.711 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.517 10.429 6.693 1.00 0.00 C ATOM 532 CD2 PHE A 36 14.645 9.372 6.447 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.093 11.656 6.417 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.222 10.595 6.171 1.00 0.00 C ATOM 535 CZ PHE A 36 14.446 11.737 6.155 1.00 0.00 C ATOM 0 H PHE A 36 9.998 6.354 6.612 1.00 0.00 H new ATOM 0 HA PHE A 36 10.925 8.159 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.112 8.007 7.963 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.444 7.195 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.458 10.371 6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.258 8.483 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.485 12.549 6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.281 10.659 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.898 12.694 5.938 1.00 0.00 H new ATOM 545 N ASN A 37 12.224 6.025 3.959 1.00 0.00 N ATOM 546 CA ASN A 37 12.959 5.697 2.726 1.00 0.00 C ATOM 547 C ASN A 37 12.071 5.021 1.665 1.00 0.00 C ATOM 548 O ASN A 37 12.547 4.663 0.587 1.00 0.00 O ATOM 549 CB ASN A 37 14.150 4.787 3.064 1.00 0.00 C ATOM 550 CG ASN A 37 15.128 4.630 1.910 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.678 3.558 1.688 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.373 5.698 1.180 1.00 0.00 N ATOM 0 H ASN A 37 11.561 5.312 4.263 1.00 0.00 H new ATOM 0 HA ASN A 37 13.308 6.637 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.678 5.195 3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.778 3.804 3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.036 5.646 0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.900 6.577 1.388 1.00 0.00 H new ATOM 559 N ILE A 38 10.785 4.848 1.957 1.00 0.00 N ATOM 560 CA ILE A 38 9.869 4.192 1.013 1.00 0.00 C ATOM 561 C ILE A 38 8.980 5.228 0.308 1.00 0.00 C ATOM 562 O ILE A 38 8.203 5.932 0.955 1.00 0.00 O ATOM 563 CB ILE A 38 8.971 3.144 1.722 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.820 2.199 2.596 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.160 2.349 0.693 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.871 1.418 1.832 1.00 0.00 C ATOM 0 H ILE A 38 10.351 5.148 2.830 1.00 0.00 H new ATOM 0 HA ILE A 38 10.485 3.679 0.275 1.00 0.00 H new ATOM 0 HB ILE A 38 8.275 3.673 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.312 2.785 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.157 1.496 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.536 1.618 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.527 3.030 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.839 1.832 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.422 0.779 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.387 0.802 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.560 2.111 1.350 1.00 0.00 H new ATOM 578 N THR A 39 9.099 5.319 -1.018 1.00 0.00 N ATOM 579 CA THR A 39 8.372 6.338 -1.795 1.00 0.00 C ATOM 580 C THR A 39 7.165 5.747 -2.538 1.00 0.00 C ATOM 581 O THR A 39 6.935 4.535 -2.522 1.00 0.00 O ATOM 582 CB THR A 39 9.292 7.031 -2.832 1.00 0.00 C ATOM 583 OG1 THR A 39 9.661 6.113 -3.874 1.00 0.00 O ATOM 584 CG2 THR A 39 10.552 7.577 -2.166 1.00 0.00 C ATOM 0 H THR A 39 9.688 4.704 -1.579 1.00 0.00 H new ATOM 0 HA THR A 39 8.022 7.070 -1.067 1.00 0.00 H new ATOM 0 HB THR A 39 8.735 7.861 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.240 6.568 -4.521 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.180 8.058 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.274 8.305 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.102 6.758 -1.703 1.00 0.00 H new ATOM 592 N GLU A 40 6.416 6.626 -3.207 1.00 0.00 N ATOM 593 CA GLU A 40 5.221 6.243 -3.974 1.00 0.00 C ATOM 594 C GLU A 40 5.532 5.121 -4.976 1.00 0.00 C ATOM 595 O GLU A 40 4.824 4.118 -5.055 1.00 0.00 O ATOM 596 CB GLU A 40 4.698 7.464 -4.751 1.00 0.00 C ATOM 597 CG GLU A 40 4.550 8.725 -3.908 1.00 0.00 C ATOM 598 CD GLU A 40 4.419 9.984 -4.757 1.00 0.00 C ATOM 599 OE1 GLU A 40 5.406 10.350 -5.437 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.348 10.626 -4.731 1.00 0.00 O ATOM 0 H GLU A 40 6.618 7.625 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 40 4.472 5.884 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.376 7.671 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.730 7.216 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.673 8.629 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.414 8.822 -3.251 1.00 0.00 H new ATOM 607 N ASP A 41 6.608 5.314 -5.731 1.00 0.00 N ATOM 608 CA ASP A 41 6.993 4.415 -6.821 1.00 0.00 C ATOM 609 C ASP A 41 7.235 2.972 -6.346 1.00 0.00 C ATOM 610 O ASP A 41 6.837 2.019 -7.020 1.00 0.00 O ATOM 611 CB ASP A 41 8.241 4.975 -7.508 1.00 0.00 C ATOM 612 CG ASP A 41 8.034 6.415 -7.943 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.120 7.318 -7.084 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.748 6.653 -9.138 1.00 0.00 O ATOM 0 H ASP A 41 7.243 6.102 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 41 6.164 4.366 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.090 4.917 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.486 4.363 -8.376 1.00 0.00 H new ATOM 619 N MET A 42 7.871 2.814 -5.187 1.00 0.00 N ATOM 620 CA MET A 42 8.135 1.479 -4.636 1.00 0.00 C ATOM 621 C MET A 42 6.818 0.776 -4.280 1.00 0.00 C ATOM 622 O MET A 42 6.605 -0.392 -4.615 1.00 0.00 O ATOM 623 CB MET A 42 9.036 1.577 -3.396 1.00 0.00 C ATOM 624 CG MET A 42 9.466 0.220 -2.844 1.00 0.00 C ATOM 625 SD MET A 42 10.499 0.358 -1.370 1.00 0.00 S ATOM 626 CE MET A 42 11.854 1.359 -1.985 1.00 0.00 C ATOM 0 H MET A 42 8.212 3.585 -4.612 1.00 0.00 H new ATOM 0 HA MET A 42 8.651 0.890 -5.395 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.925 2.156 -3.648 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.508 2.126 -2.616 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.579 -0.368 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.012 -0.324 -3.615 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.783 1.046 -1.509 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.939 1.233 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.665 2.408 -1.756 1.00 0.00 H new ATOM 636 N LEU A 43 5.937 1.510 -3.603 1.00 0.00 N ATOM 637 CA LEU A 43 4.598 1.016 -3.273 1.00 0.00 C ATOM 638 C LEU A 43 3.832 0.628 -4.549 1.00 0.00 C ATOM 639 O LEU A 43 3.200 -0.425 -4.616 1.00 0.00 O ATOM 640 CB LEU A 43 3.828 2.091 -2.499 1.00 0.00 C ATOM 641 CG LEU A 43 4.482 2.532 -1.179 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.795 3.772 -0.619 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.459 1.390 -0.162 1.00 0.00 C ATOM 0 H LEU A 43 6.127 2.455 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 43 4.696 0.126 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.711 2.965 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.827 1.717 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 43 5.522 2.789 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.276 4.064 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.873 4.587 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.744 3.553 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.926 1.720 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.427 1.098 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.007 0.537 -0.561 1.00 0.00 H new ATOM 655 N ARG A 44 3.911 1.485 -5.566 1.00 0.00 N ATOM 656 CA ARG A 44 3.308 1.207 -6.874 1.00 0.00 C ATOM 657 C ARG A 44 3.843 -0.114 -7.453 1.00 0.00 C ATOM 658 O ARG A 44 3.086 -0.942 -7.951 1.00 0.00 O ATOM 659 CB ARG A 44 3.605 2.363 -7.843 1.00 0.00 C ATOM 660 CG ARG A 44 2.923 2.235 -9.205 1.00 0.00 C ATOM 661 CD ARG A 44 3.405 3.307 -10.182 1.00 0.00 C ATOM 662 NE ARG A 44 3.214 4.663 -9.660 1.00 0.00 N ATOM 663 CZ ARG A 44 4.181 5.528 -9.486 1.00 0.00 C ATOM 664 NH1 ARG A 44 5.404 5.216 -9.782 1.00 0.00 N ATOM 665 NH2 ARG A 44 3.918 6.706 -9.021 1.00 0.00 N ATOM 0 H ARG A 44 4.389 2.384 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 44 2.230 1.113 -6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.292 3.299 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.683 2.427 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.123 1.247 -9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.843 2.316 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.462 3.149 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.868 3.204 -11.125 1.00 0.00 H new ATOM 0 HE ARG A 44 2.266 4.951 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.619 4.291 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.152 5.896 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.958 6.960 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.671 7.380 -8.885 1.00 0.00 H new ATOM 679 N GLY A 45 5.156 -0.307 -7.364 1.00 0.00 N ATOM 680 CA GLY A 45 5.774 -1.535 -7.858 1.00 0.00 C ATOM 681 C GLY A 45 5.233 -2.803 -7.196 1.00 0.00 C ATOM 682 O GLY A 45 5.104 -3.842 -7.844 1.00 0.00 O ATOM 0 H GLY A 45 5.808 0.364 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.618 -1.603 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.850 -1.481 -7.695 1.00 0.00 H new ATOM 686 N ILE A 46 4.909 -2.714 -5.908 1.00 0.00 N ATOM 687 CA ILE A 46 4.419 -3.870 -5.144 1.00 0.00 C ATOM 688 C ILE A 46 2.897 -4.083 -5.301 1.00 0.00 C ATOM 689 O ILE A 46 2.437 -5.207 -5.505 1.00 0.00 O ATOM 690 CB ILE A 46 4.747 -3.707 -3.636 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.255 -3.477 -3.437 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.282 -4.929 -2.844 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.646 -3.187 -2.002 1.00 0.00 C ATOM 0 H ILE A 46 4.976 -1.853 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 46 4.929 -4.743 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 46 4.210 -2.835 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.796 -4.359 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.572 -2.645 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.522 -4.792 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.205 -5.048 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.787 -5.819 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.724 -3.036 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.134 -2.287 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.362 -4.028 -1.370 1.00 0.00 H new ATOM 705 N PHE A 47 2.128 -2.999 -5.204 1.00 0.00 N ATOM 706 CA PHE A 47 0.656 -3.075 -5.192 1.00 0.00 C ATOM 707 C PHE A 47 0.028 -3.110 -6.602 1.00 0.00 C ATOM 708 O PHE A 47 -0.992 -3.770 -6.814 1.00 0.00 O ATOM 709 CB PHE A 47 0.082 -1.886 -4.405 1.00 0.00 C ATOM 710 CG PHE A 47 0.315 -1.959 -2.912 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.552 -1.646 -2.365 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.711 -2.339 -2.056 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.760 -1.711 -0.999 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.507 -2.404 -0.691 1.00 0.00 C ATOM 715 CZ PHE A 47 0.730 -2.091 -0.162 1.00 0.00 C ATOM 0 H PHE A 47 2.496 -2.051 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 47 0.399 -4.019 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.524 -0.965 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.990 -1.825 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.362 -1.348 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.680 -2.587 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.728 -1.465 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.315 -2.700 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.891 -2.143 0.905 1.00 0.00 H new ATOM 725 N GLU A 48 0.641 -2.415 -7.564 1.00 0.00 N ATOM 726 CA GLU A 48 0.045 -2.252 -8.906 1.00 0.00 C ATOM 727 C GLU A 48 -0.269 -3.591 -9.613 1.00 0.00 C ATOM 728 O GLU A 48 -1.315 -3.707 -10.253 1.00 0.00 O ATOM 729 CB GLU A 48 0.941 -1.387 -9.801 1.00 0.00 C ATOM 730 CG GLU A 48 0.286 -0.968 -11.114 1.00 0.00 C ATOM 731 CD GLU A 48 1.215 -0.156 -12.000 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.259 -0.692 -12.425 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.895 1.014 -12.293 1.00 0.00 O ATOM 0 H GLU A 48 1.544 -1.956 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.909 -1.751 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.232 -0.493 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.856 -1.937 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.038 -1.858 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.608 -0.382 -10.899 1.00 0.00 H new ATOM 740 N PRO A 49 0.620 -4.621 -9.540 1.00 0.00 N ATOM 741 CA PRO A 49 0.334 -5.950 -10.115 1.00 0.00 C ATOM 742 C PRO A 49 -1.066 -6.478 -9.741 1.00 0.00 C ATOM 743 O PRO A 49 -1.713 -7.173 -10.531 1.00 0.00 O ATOM 744 CB PRO A 49 1.440 -6.855 -9.529 1.00 0.00 C ATOM 745 CG PRO A 49 2.158 -6.017 -8.517 1.00 0.00 C ATOM 746 CD PRO A 49 1.964 -4.590 -8.943 1.00 0.00 C ATOM 0 HA PRO A 49 0.332 -5.920 -11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.013 -7.745 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.121 -7.195 -10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.756 -6.183 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.217 -6.272 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.018 -3.903 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.721 -4.273 -9.661 1.00 0.00 H new ATOM 754 N PHE A 50 -1.532 -6.134 -8.539 1.00 0.00 N ATOM 755 CA PHE A 50 -2.884 -6.494 -8.095 1.00 0.00 C ATOM 756 C PHE A 50 -3.935 -5.579 -8.743 1.00 0.00 C ATOM 757 O PHE A 50 -4.946 -6.045 -9.276 1.00 0.00 O ATOM 758 CB PHE A 50 -2.998 -6.385 -6.572 1.00 0.00 C ATOM 759 CG PHE A 50 -2.095 -7.323 -5.807 1.00 0.00 C ATOM 760 CD1 PHE A 50 -0.808 -6.940 -5.452 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.545 -8.578 -5.420 1.00 0.00 C ATOM 762 CE1 PHE A 50 0.006 -7.792 -4.729 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.737 -9.428 -4.694 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.459 -9.034 -4.348 1.00 0.00 C ATOM 0 H PHE A 50 -0.993 -5.605 -7.853 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.068 -7.524 -8.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.771 -5.361 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.031 -6.579 -6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.440 -5.967 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.542 -8.893 -5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.007 -7.485 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.103 -10.400 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.176 -9.698 -3.780 1.00 0.00 H new ATOM 774 N GLY A 51 -3.675 -4.276 -8.697 1.00 0.00 N ATOM 775 CA GLY A 51 -4.604 -3.291 -9.222 1.00 0.00 C ATOM 776 C GLY A 51 -3.934 -1.945 -9.447 1.00 0.00 C ATOM 777 O GLY A 51 -3.153 -1.486 -8.616 1.00 0.00 O ATOM 0 H GLY A 51 -2.823 -3.880 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.022 -3.651 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.436 -3.171 -8.529 1.00 0.00 H new ATOM 781 N ARG A 52 -4.229 -1.325 -10.582 1.00 0.00 N ATOM 782 CA ARG A 52 -3.649 -0.024 -10.943 1.00 0.00 C ATOM 783 C ARG A 52 -3.890 1.040 -9.853 1.00 0.00 C ATOM 784 O ARG A 52 -5.003 1.179 -9.334 1.00 0.00 O ATOM 785 CB ARG A 52 -4.239 0.459 -12.276 1.00 0.00 C ATOM 786 CG ARG A 52 -3.528 1.678 -12.866 1.00 0.00 C ATOM 787 CD ARG A 52 -2.165 1.318 -13.449 1.00 0.00 C ATOM 788 NE ARG A 52 -2.281 0.378 -14.562 1.00 0.00 N ATOM 789 CZ ARG A 52 -1.271 -0.213 -15.136 1.00 0.00 C ATOM 790 NH1 ARG A 52 -0.060 -0.003 -14.728 1.00 0.00 N ATOM 791 NH2 ARG A 52 -1.480 -1.021 -16.123 1.00 0.00 N ATOM 0 H ARG A 52 -4.872 -1.701 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.572 -0.161 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.197 -0.357 -12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.292 0.701 -12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.150 2.119 -13.645 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.403 2.435 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.665 2.224 -13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.540 0.883 -12.669 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.216 0.170 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.113 0.632 -13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.721 -0.472 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.431 -1.193 -16.449 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.694 -1.486 -16.576 1.00 0.00 H new ATOM 805 N ILE A 53 -2.842 1.795 -9.519 1.00 0.00 N ATOM 806 CA ILE A 53 -2.933 2.850 -8.505 1.00 0.00 C ATOM 807 C ILE A 53 -3.518 4.151 -9.084 1.00 0.00 C ATOM 808 O ILE A 53 -3.062 4.651 -10.114 1.00 0.00 O ATOM 809 CB ILE A 53 -1.545 3.155 -7.866 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.142 2.063 -6.853 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.541 4.529 -7.193 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.913 0.697 -7.463 1.00 0.00 C ATOM 0 H ILE A 53 -1.917 1.696 -9.937 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.605 2.473 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.810 3.161 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.231 2.377 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.921 1.983 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.561 4.717 -6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.761 5.298 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.299 4.553 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.634 -0.009 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.828 0.357 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.112 0.757 -8.200 1.00 0.00 H new ATOM 824 N GLU A 54 -4.525 4.689 -8.404 1.00 0.00 N ATOM 825 CA GLU A 54 -5.138 5.967 -8.780 1.00 0.00 C ATOM 826 C GLU A 54 -4.444 7.148 -8.080 1.00 0.00 C ATOM 827 O GLU A 54 -4.194 8.186 -8.695 1.00 0.00 O ATOM 828 CB GLU A 54 -6.633 5.952 -8.432 1.00 0.00 C ATOM 829 CG GLU A 54 -7.433 4.910 -9.212 1.00 0.00 C ATOM 830 CD GLU A 54 -7.403 5.156 -10.714 1.00 0.00 C ATOM 831 OE1 GLU A 54 -8.198 5.989 -11.203 1.00 0.00 O ATOM 832 OE2 GLU A 54 -6.591 4.523 -11.413 1.00 0.00 O ATOM 0 H GLU A 54 -4.941 4.257 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.018 6.097 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.747 5.761 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.052 6.939 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.033 3.918 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.467 4.917 -8.867 1.00 0.00 H new ATOM 839 N SER A 55 -4.156 6.993 -6.785 1.00 0.00 N ATOM 840 CA SER A 55 -3.437 8.022 -6.014 1.00 0.00 C ATOM 841 C SER A 55 -2.640 7.406 -4.851 1.00 0.00 C ATOM 842 O SER A 55 -3.038 6.387 -4.286 1.00 0.00 O ATOM 843 CB SER A 55 -4.414 9.080 -5.472 1.00 0.00 C ATOM 844 OG SER A 55 -5.396 8.501 -4.625 1.00 0.00 O ATOM 0 H SER A 55 -4.408 6.166 -6.244 1.00 0.00 H new ATOM 0 HA SER A 55 -2.733 8.501 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.859 9.839 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.903 9.585 -6.305 1.00 0.00 H new ATOM 0 HG SER A 55 -5.999 9.201 -4.297 1.00 0.00 H new ATOM 850 N ILE A 56 -1.507 8.023 -4.508 1.00 0.00 N ATOM 851 CA ILE A 56 -0.697 7.592 -3.356 1.00 0.00 C ATOM 852 C ILE A 56 -0.409 8.772 -2.417 1.00 0.00 C ATOM 853 O ILE A 56 0.395 9.650 -2.733 1.00 0.00 O ATOM 854 CB ILE A 56 0.651 6.955 -3.793 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.408 5.736 -4.698 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.485 6.559 -2.570 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.674 5.044 -5.166 1.00 0.00 C ATOM 0 H ILE A 56 -1.125 8.825 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.283 6.837 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 56 1.209 7.698 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.208 5.016 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.162 6.054 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.425 6.115 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.693 7.444 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.932 5.836 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.412 4.196 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.284 5.746 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.237 4.692 -4.302 1.00 0.00 H new ATOM 869 N GLN A 57 -1.070 8.794 -1.268 1.00 0.00 N ATOM 870 CA GLN A 57 -0.886 9.866 -0.285 1.00 0.00 C ATOM 871 C GLN A 57 0.066 9.424 0.838 1.00 0.00 C ATOM 872 O GLN A 57 -0.251 8.517 1.608 1.00 0.00 O ATOM 873 CB GLN A 57 -2.247 10.267 0.304 1.00 0.00 C ATOM 874 CG GLN A 57 -3.247 10.780 -0.731 1.00 0.00 C ATOM 875 CD GLN A 57 -2.838 12.111 -1.341 1.00 0.00 C ATOM 876 OE1 GLN A 57 -2.148 12.164 -2.354 1.00 0.00 O ATOM 877 NE2 GLN A 57 -3.260 13.200 -0.729 1.00 0.00 N ATOM 0 H GLN A 57 -1.743 8.080 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.442 10.725 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.678 9.406 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.092 11.039 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.353 10.040 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.225 10.887 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.833 13.123 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.014 14.119 -1.096 1.00 0.00 H new ATOM 886 N LEU A 58 1.223 10.074 0.938 1.00 0.00 N ATOM 887 CA LEU A 58 2.221 9.720 1.954 1.00 0.00 C ATOM 888 C LEU A 58 2.121 10.650 3.170 1.00 0.00 C ATOM 889 O LEU A 58 2.057 11.874 3.031 1.00 0.00 O ATOM 890 CB LEU A 58 3.638 9.793 1.364 1.00 0.00 C ATOM 891 CG LEU A 58 3.897 8.882 0.151 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.344 9.016 -0.321 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.570 7.426 0.478 1.00 0.00 C ATOM 0 H LEU A 58 1.496 10.847 0.331 1.00 0.00 H new ATOM 0 HA LEU A 58 2.019 8.699 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.839 10.824 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.353 9.539 2.147 1.00 0.00 H new ATOM 0 HG LEU A 58 3.239 9.201 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.509 8.365 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.539 10.050 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.018 8.730 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.762 6.805 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.194 7.090 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.520 7.343 0.758 1.00 0.00 H new ATOM 905 N MET A 59 2.107 10.064 4.363 1.00 0.00 N ATOM 906 CA MET A 59 1.978 10.843 5.595 1.00 0.00 C ATOM 907 C MET A 59 3.353 11.163 6.199 1.00 0.00 C ATOM 908 O MET A 59 3.972 10.328 6.864 1.00 0.00 O ATOM 909 CB MET A 59 1.116 10.088 6.615 1.00 0.00 C ATOM 910 CG MET A 59 -0.274 9.728 6.098 1.00 0.00 C ATOM 911 SD MET A 59 -1.265 11.180 5.689 1.00 0.00 S ATOM 912 CE MET A 59 -1.349 11.995 7.285 1.00 0.00 C ATOM 0 H MET A 59 2.183 9.057 4.505 1.00 0.00 H new ATOM 0 HA MET A 59 1.491 11.786 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.633 9.174 6.908 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.013 10.698 7.513 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.176 9.099 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.796 9.138 6.852 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.190 12.688 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.483 11.249 8.068 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.424 12.544 7.462 1.00 0.00 H new ATOM 1033 N LYS A 68 6.139 9.906 8.960 1.00 0.00 N ATOM 1034 CA LYS A 68 5.308 9.285 10.005 1.00 0.00 C ATOM 1035 C LYS A 68 5.329 7.749 9.912 1.00 0.00 C ATOM 1036 O LYS A 68 5.109 7.052 10.905 1.00 0.00 O ATOM 1037 CB LYS A 68 3.868 9.813 9.916 1.00 0.00 C ATOM 1038 CG LYS A 68 3.760 11.316 10.169 1.00 0.00 C ATOM 1039 CD LYS A 68 2.348 11.845 9.960 1.00 0.00 C ATOM 1040 CE LYS A 68 2.241 13.320 10.330 1.00 0.00 C ATOM 1041 NZ LYS A 68 2.537 13.557 11.768 1.00 0.00 N ATOM 0 HA LYS A 68 5.728 9.557 10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.466 9.588 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.249 9.284 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.078 11.533 11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.444 11.843 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.058 11.709 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.649 11.266 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.933 13.898 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.237 13.679 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.182 14.494 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.071 12.826 12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.565 13.516 11.922 1.00 0.00 H new ATOM 1055 N GLY A 69 5.589 7.223 8.715 1.00 0.00 N ATOM 1056 CA GLY A 69 5.744 5.778 8.546 1.00 0.00 C ATOM 1057 C GLY A 69 4.544 5.080 7.904 1.00 0.00 C ATOM 1058 O GLY A 69 4.534 3.853 7.782 1.00 0.00 O ATOM 0 H GLY A 69 5.696 7.767 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.627 5.589 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.930 5.329 9.522 1.00 0.00 H new ATOM 1062 N TYR A 70 3.533 5.846 7.484 1.00 0.00 N ATOM 1063 CA TYR A 70 2.339 5.258 6.852 1.00 0.00 C ATOM 1064 C TYR A 70 1.757 6.150 5.738 1.00 0.00 C ATOM 1065 O TYR A 70 1.982 7.359 5.710 1.00 0.00 O ATOM 1066 CB TYR A 70 1.270 4.940 7.913 1.00 0.00 C ATOM 1067 CG TYR A 70 0.926 6.093 8.844 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.094 6.988 8.535 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.613 6.274 10.042 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -0.418 8.026 9.389 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.295 7.313 10.900 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.280 8.186 10.569 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.043 9.222 11.424 1.00 0.00 O ATOM 0 H TYR A 70 3.512 6.862 7.567 1.00 0.00 H new ATOM 0 HA TYR A 70 2.654 4.329 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.360 4.618 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.615 4.098 8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.642 6.870 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.408 5.592 10.306 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.214 8.709 9.134 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.839 7.439 11.824 1.00 0.00 H new ATOM 0 HH TYR A 70 0.542 9.192 12.209 1.00 0.00 H new ATOM 1083 N GLY A 71 1.028 5.529 4.809 1.00 0.00 N ATOM 1084 CA GLY A 71 0.409 6.252 3.701 1.00 0.00 C ATOM 1085 C GLY A 71 -0.873 5.585 3.201 1.00 0.00 C ATOM 1086 O GLY A 71 -1.106 4.404 3.458 1.00 0.00 O ATOM 0 H GLY A 71 0.853 4.524 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.184 7.270 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.120 6.325 2.878 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.708 6.343 2.490 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.984 5.826 1.960 1.00 0.00 C ATOM 1092 C PHE A 72 -2.957 5.723 0.423 1.00 0.00 C ATOM 1093 O PHE A 72 -2.717 6.716 -0.271 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.144 6.735 2.389 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.342 6.818 3.883 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.613 7.721 4.647 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.259 5.995 4.522 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.798 7.800 6.015 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.446 6.072 5.888 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.714 6.974 6.637 1.00 0.00 C ATOM 0 H PHE A 72 -1.529 7.321 2.264 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.129 4.826 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.968 7.738 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.064 6.372 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.894 8.368 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.833 5.286 3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.226 8.508 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.165 5.427 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.858 7.033 7.706 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.225 4.531 -0.108 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.221 4.309 -1.562 1.00 0.00 C ATOM 1112 C ILE A 73 -4.633 4.000 -2.095 1.00 0.00 C ATOM 1113 O ILE A 73 -5.355 3.176 -1.533 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.263 3.150 -1.946 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.841 3.441 -1.439 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.262 2.925 -3.460 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.148 2.320 -1.698 1.00 0.00 C ATOM 0 H ILE A 73 -3.448 3.702 0.442 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.870 5.234 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.620 2.237 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.476 4.351 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.881 3.636 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.584 2.108 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.269 2.672 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.932 3.834 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.127 2.602 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.192 1.413 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.220 2.139 -2.770 1.00 0.00 H new ATOM 1129 N THR A 74 -5.015 4.665 -3.183 1.00 0.00 N ATOM 1130 CA THR A 74 -6.344 4.479 -3.795 1.00 0.00 C ATOM 1131 C THR A 74 -6.276 3.579 -5.039 1.00 0.00 C ATOM 1132 O THR A 74 -5.514 3.851 -5.965 1.00 0.00 O ATOM 1133 CB THR A 74 -6.969 5.839 -4.205 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.996 6.734 -3.082 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.386 5.660 -4.744 1.00 0.00 C ATOM 0 H THR A 74 -4.425 5.342 -3.667 1.00 0.00 H new ATOM 0 HA THR A 74 -6.967 4.001 -3.039 1.00 0.00 H new ATOM 0 HB THR A 74 -6.348 6.261 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.467 7.533 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.795 6.631 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.363 5.012 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.013 5.209 -3.975 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.078 2.514 -5.053 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.156 1.587 -6.198 1.00 0.00 C ATOM 1145 C PHE A 75 -8.493 1.736 -6.943 1.00 0.00 C ATOM 1146 O PHE A 75 -9.507 2.079 -6.343 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.002 0.137 -5.726 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.665 -0.166 -5.108 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.415 0.131 -3.777 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.657 -0.754 -5.861 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.190 -0.152 -3.209 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.432 -1.039 -5.295 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.197 -0.738 -3.969 1.00 0.00 C ATOM 0 H PHE A 75 -7.692 2.264 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.343 1.838 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.785 -0.083 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.158 -0.529 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.188 0.589 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.834 -0.990 -6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.008 0.085 -2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.656 -1.498 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.237 -0.960 -3.526 1.00 0.00 H new ATOM 1163 N SER A 76 -8.489 1.451 -8.246 1.00 0.00 N ATOM 1164 CA SER A 76 -9.692 1.597 -9.086 1.00 0.00 C ATOM 1165 C SER A 76 -10.826 0.665 -8.641 1.00 0.00 C ATOM 1166 O SER A 76 -12.006 0.989 -8.784 1.00 0.00 O ATOM 1167 CB SER A 76 -9.356 1.295 -10.554 1.00 0.00 C ATOM 1168 OG SER A 76 -8.289 2.100 -11.023 1.00 0.00 O ATOM 0 H SER A 76 -7.667 1.117 -8.749 1.00 0.00 H new ATOM 0 HA SER A 76 -10.029 2.628 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.091 0.243 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.238 1.464 -11.172 1.00 0.00 H new ATOM 0 HG SER A 76 -8.101 1.881 -11.959 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.460 -0.492 -8.102 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.428 -1.542 -7.783 1.00 0.00 C ATOM 1176 C ASP A 77 -11.304 -2.002 -6.318 1.00 0.00 C ATOM 1177 O ASP A 77 -10.215 -1.994 -5.738 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.205 -2.716 -8.742 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.237 -3.814 -8.574 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.351 -3.683 -9.124 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.943 -4.804 -7.884 1.00 0.00 O ATOM 0 H ASP A 77 -9.495 -0.730 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.437 -1.147 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.233 -2.351 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.210 -3.130 -8.578 1.00 0.00 H new ATOM 1186 N SER A 78 -12.427 -2.402 -5.722 1.00 0.00 N ATOM 1187 CA SER A 78 -12.439 -2.848 -4.320 1.00 0.00 C ATOM 1188 C SER A 78 -11.866 -4.262 -4.156 1.00 0.00 C ATOM 1189 O SER A 78 -11.225 -4.557 -3.150 1.00 0.00 O ATOM 1190 CB SER A 78 -13.859 -2.801 -3.740 1.00 0.00 C ATOM 1191 OG SER A 78 -13.868 -3.148 -2.358 1.00 0.00 O ATOM 0 H SER A 78 -13.338 -2.428 -6.181 1.00 0.00 H new ATOM 0 HA SER A 78 -11.800 -2.157 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.273 -1.801 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.502 -3.486 -4.293 1.00 0.00 H new ATOM 0 HG SER A 78 -13.027 -2.863 -1.944 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.090 -5.134 -5.138 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.596 -6.518 -5.072 1.00 0.00 C ATOM 1199 C GLU A 79 -10.090 -6.585 -5.386 1.00 0.00 C ATOM 1200 O GLU A 79 -9.358 -7.376 -4.791 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.390 -7.419 -6.032 1.00 0.00 C ATOM 1202 CG GLU A 79 -11.963 -8.889 -6.025 1.00 0.00 C ATOM 1203 CD GLU A 79 -12.060 -9.540 -4.650 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.188 -9.765 -4.161 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -11.008 -9.848 -4.054 1.00 0.00 O ATOM 0 H GLU A 79 -12.608 -4.912 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.743 -6.881 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.447 -7.360 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.287 -7.029 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.586 -9.444 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.936 -8.963 -6.383 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.624 -5.749 -6.319 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.185 -5.661 -6.622 1.00 0.00 C ATOM 1214 C CYS A 80 -7.415 -5.152 -5.398 1.00 0.00 C ATOM 1215 O CYS A 80 -6.356 -5.678 -5.048 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.918 -4.732 -7.816 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.158 -2.972 -7.468 1.00 0.00 S ATOM 0 H CYS A 80 -10.212 -5.128 -6.875 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.842 -6.663 -6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.894 -4.885 -8.157 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.574 -5.020 -8.637 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.162 -2.823 -6.655 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.961 -4.120 -4.751 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.398 -3.593 -3.504 1.00 0.00 C ATOM 1225 C ALA A 81 -7.480 -4.635 -2.375 1.00 0.00 C ATOM 1226 O ALA A 81 -6.511 -4.867 -1.653 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.127 -2.316 -3.102 1.00 0.00 C ATOM 0 H ALA A 81 -8.796 -3.630 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.346 -3.364 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.703 -1.931 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.015 -1.570 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.185 -2.532 -2.954 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.649 -5.256 -2.238 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.864 -6.340 -1.270 1.00 0.00 C ATOM 1235 C LYS A 82 -7.838 -7.473 -1.450 1.00 0.00 C ATOM 1236 O LYS A 82 -7.278 -7.978 -0.475 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.299 -6.867 -1.425 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.583 -8.199 -0.737 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.072 -8.540 -0.800 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.329 -10.026 -0.586 1.00 0.00 C ATOM 1241 NZ LYS A 82 -11.778 -10.842 -1.699 1.00 0.00 N ATOM 0 H LYS A 82 -9.475 -5.026 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.725 -5.948 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.987 -6.119 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.517 -6.972 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.004 -8.990 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.261 -8.151 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.607 -7.967 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.472 -8.239 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.879 -10.342 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.401 -10.202 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.548 -11.373 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.327 -10.217 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.073 -11.508 -1.325 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.585 -7.852 -2.701 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.591 -8.885 -3.019 1.00 0.00 C ATOM 1257 C LYS A 83 -5.170 -8.430 -2.637 1.00 0.00 C ATOM 1258 O LYS A 83 -4.385 -9.205 -2.086 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.653 -9.227 -4.517 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.728 -10.366 -4.939 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.857 -10.673 -6.431 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.958 -11.829 -6.857 1.00 0.00 C ATOM 1263 NZ LYS A 83 -5.085 -12.122 -8.311 1.00 0.00 N ATOM 0 H LYS A 83 -8.055 -7.460 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.826 -9.775 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.678 -9.492 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.400 -8.336 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.696 -10.101 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.964 -11.260 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.894 -10.916 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.602 -9.784 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.921 -11.588 -6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.215 -12.719 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.459 -12.913 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.069 -12.377 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.816 -11.280 -8.860 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.847 -7.170 -2.937 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.549 -6.590 -2.568 1.00 0.00 C ATOM 1279 C ALA A 84 -3.342 -6.623 -1.047 1.00 0.00 C ATOM 1280 O ALA A 84 -2.360 -7.175 -0.553 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.444 -5.160 -3.089 1.00 0.00 C ATOM 0 H ALA A 84 -5.465 -6.530 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.764 -7.191 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.478 -4.741 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.539 -5.161 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.241 -4.555 -2.656 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.294 -6.042 -0.321 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.281 -6.036 1.147 1.00 0.00 C ATOM 1289 C LEU A 85 -4.093 -7.457 1.697 1.00 0.00 C ATOM 1290 O LEU A 85 -3.155 -7.728 2.443 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.604 -5.419 1.655 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.775 -5.276 3.186 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.823 -4.211 3.503 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.181 -6.605 3.834 1.00 0.00 C ATOM 0 H LEU A 85 -5.096 -5.562 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.442 -5.437 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.708 -4.430 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.427 -6.027 1.278 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.812 -4.976 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.934 -4.120 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.506 -3.254 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.778 -4.498 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.292 -6.467 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.128 -6.941 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.412 -7.353 3.642 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.984 -8.352 1.282 1.00 0.00 N ATOM 1307 CA GLU A 86 -5.022 -9.736 1.766 1.00 0.00 C ATOM 1308 C GLU A 86 -3.666 -10.458 1.604 1.00 0.00 C ATOM 1309 O GLU A 86 -3.293 -11.292 2.430 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.124 -10.480 0.999 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.411 -11.893 1.484 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.447 -12.596 0.617 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.073 -13.127 -0.452 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -8.641 -12.606 0.982 1.00 0.00 O ATOM 0 H GLU A 86 -5.707 -8.140 0.595 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.235 -9.726 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.044 -9.898 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.845 -10.524 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.487 -12.471 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.765 -11.857 2.514 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.931 -10.131 0.539 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.655 -10.798 0.238 1.00 0.00 C ATOM 1323 C GLN A 87 -0.422 -10.012 0.730 1.00 0.00 C ATOM 1324 O GLN A 87 0.643 -10.598 0.943 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.545 -11.035 -1.279 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.217 -12.317 -1.776 1.00 0.00 C ATOM 1327 CD GLN A 87 -3.599 -12.545 -1.192 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.754 -13.206 -0.170 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -4.614 -11.994 -1.822 1.00 0.00 N ATOM 0 H GLN A 87 -3.194 -9.409 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.659 -11.745 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.986 -10.185 -1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.490 -11.064 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.293 -12.280 -2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.583 -13.169 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.453 -11.450 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.561 -12.111 -1.463 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.547 -8.695 0.893 1.00 0.00 N ATOM 1339 CA LEU A 88 0.618 -7.850 1.215 1.00 0.00 C ATOM 1340 C LEU A 88 0.714 -7.448 2.700 1.00 0.00 C ATOM 1341 O LEU A 88 1.746 -6.922 3.127 1.00 0.00 O ATOM 1342 CB LEU A 88 0.615 -6.597 0.332 1.00 0.00 C ATOM 1343 CG LEU A 88 0.753 -6.870 -1.176 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.686 -5.572 -1.971 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.049 -7.625 -1.476 1.00 0.00 C ATOM 0 H LEU A 88 -1.429 -8.189 0.810 1.00 0.00 H new ATOM 0 HA LEU A 88 1.498 -8.460 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.312 -6.050 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.432 -5.947 0.645 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.083 -7.498 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.786 -5.791 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.271 -5.083 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.495 -4.912 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.124 -7.807 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.901 -7.030 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.046 -8.577 -0.946 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.333 -7.683 3.491 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.269 -7.377 4.931 1.00 0.00 C ATOM 1359 C ASN A 89 0.707 -8.321 5.659 1.00 0.00 C ATOM 1360 O ASN A 89 0.328 -9.358 6.200 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.662 -7.402 5.580 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.499 -8.598 5.175 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.988 -9.671 4.873 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.800 -8.419 5.164 1.00 0.00 N ATOM 0 H ASN A 89 -1.220 -8.075 3.174 1.00 0.00 H new ATOM 0 HA ASN A 89 0.115 -6.362 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -1.549 -7.399 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.195 -6.489 5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.418 -9.186 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.192 -7.513 5.421 1.00 0.00 H new ATOM 1371 N GLY A 90 1.978 -7.940 5.650 1.00 0.00 N ATOM 1372 CA GLY A 90 3.034 -8.773 6.214 1.00 0.00 C ATOM 1373 C GLY A 90 4.179 -8.999 5.233 1.00 0.00 C ATOM 1374 O GLY A 90 5.170 -9.653 5.562 1.00 0.00 O ATOM 0 H GLY A 90 2.304 -7.057 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.421 -8.303 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.616 -9.735 6.509 1.00 0.00 H new ATOM 1378 N PHE A 91 4.035 -8.458 4.023 1.00 0.00 N ATOM 1379 CA PHE A 91 5.072 -8.556 2.987 1.00 0.00 C ATOM 1380 C PHE A 91 6.391 -7.922 3.454 1.00 0.00 C ATOM 1381 O PHE A 91 6.397 -6.828 4.021 1.00 0.00 O ATOM 1382 CB PHE A 91 4.581 -7.877 1.699 1.00 0.00 C ATOM 1383 CG PHE A 91 5.583 -7.887 0.567 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.712 -8.998 -0.258 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.391 -6.783 0.325 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.624 -9.003 -1.297 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.302 -6.786 -0.712 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.418 -7.896 -1.523 1.00 0.00 C ATOM 0 H PHE A 91 3.204 -7.943 3.732 1.00 0.00 H new ATOM 0 HA PHE A 91 5.263 -9.611 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.670 -8.373 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.317 -6.844 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.093 -9.866 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.305 -5.911 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.715 -9.872 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.923 -5.920 -0.888 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.130 -7.899 -2.335 1.00 0.00 H new ATOM 1398 N GLU A 92 7.503 -8.611 3.216 1.00 0.00 N ATOM 1399 CA GLU A 92 8.816 -8.122 3.647 1.00 0.00 C ATOM 1400 C GLU A 92 9.298 -6.947 2.781 1.00 0.00 C ATOM 1401 O GLU A 92 9.936 -7.137 1.745 1.00 0.00 O ATOM 1402 CB GLU A 92 9.851 -9.258 3.619 1.00 0.00 C ATOM 1403 CG GLU A 92 9.513 -10.427 4.540 1.00 0.00 C ATOM 1404 CD GLU A 92 10.591 -11.500 4.540 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.592 -12.352 3.626 1.00 0.00 O ATOM 1406 OE2 GLU A 92 11.449 -11.486 5.448 1.00 0.00 O ATOM 0 H GLU A 92 7.525 -9.507 2.729 1.00 0.00 H new ATOM 0 HA GLU A 92 8.709 -7.762 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.942 -9.628 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.824 -8.856 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.374 -10.057 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.566 -10.868 4.229 1.00 0.00 H new ATOM 1413 N LEU A 93 8.975 -5.735 3.213 1.00 0.00 N ATOM 1414 CA LEU A 93 9.404 -4.516 2.525 1.00 0.00 C ATOM 1415 C LEU A 93 10.618 -3.899 3.228 1.00 0.00 C ATOM 1416 O LEU A 93 10.567 -3.591 4.421 1.00 0.00 O ATOM 1417 CB LEU A 93 8.253 -3.499 2.474 1.00 0.00 C ATOM 1418 CG LEU A 93 8.611 -2.134 1.854 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.121 -2.300 0.425 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.413 -1.187 1.898 1.00 0.00 C ATOM 0 H LEU A 93 8.411 -5.565 4.046 1.00 0.00 H new ATOM 0 HA LEU A 93 9.688 -4.780 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.430 -3.934 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.889 -3.335 3.488 1.00 0.00 H new ATOM 0 HG LEU A 93 9.413 -1.694 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.367 -1.322 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.012 -2.927 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.349 -2.769 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.689 -0.230 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.585 -1.621 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.109 -1.033 2.933 1.00 0.00 H new ATOM 1432 N ALA A 94 11.718 -3.739 2.488 1.00 0.00 N ATOM 1433 CA ALA A 94 12.958 -3.174 3.040 1.00 0.00 C ATOM 1434 C ALA A 94 13.491 -4.008 4.222 1.00 0.00 C ATOM 1435 O ALA A 94 14.299 -3.532 5.023 1.00 0.00 O ATOM 1436 CB ALA A 94 12.738 -1.722 3.457 1.00 0.00 C ATOM 0 H ALA A 94 11.778 -3.993 1.502 1.00 0.00 H new ATOM 0 HA ALA A 94 13.715 -3.204 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.664 -1.316 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.435 -1.136 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.957 -1.676 4.216 1.00 0.00 H new ATOM 1442 N GLY A 95 13.027 -5.255 4.320 1.00 0.00 N ATOM 1443 CA GLY A 95 13.477 -6.160 5.375 1.00 0.00 C ATOM 1444 C GLY A 95 12.414 -6.418 6.436 1.00 0.00 C ATOM 1445 O GLY A 95 12.469 -7.424 7.147 1.00 0.00 O ATOM 0 H GLY A 95 12.341 -5.659 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.774 -7.109 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.363 -5.741 5.852 1.00 0.00 H new ATOM 1449 N ARG A 96 11.430 -5.527 6.524 1.00 0.00 N ATOM 1450 CA ARG A 96 10.408 -5.595 7.576 1.00 0.00 C ATOM 1451 C ARG A 96 9.011 -5.861 6.992 1.00 0.00 C ATOM 1452 O ARG A 96 8.741 -5.527 5.839 1.00 0.00 O ATOM 1453 CB ARG A 96 10.394 -4.282 8.372 1.00 0.00 C ATOM 1454 CG ARG A 96 10.013 -3.056 7.545 1.00 0.00 C ATOM 1455 CD ARG A 96 9.897 -1.801 8.404 1.00 0.00 C ATOM 1456 NE ARG A 96 8.790 -1.880 9.358 1.00 0.00 N ATOM 1457 CZ ARG A 96 8.523 -0.965 10.251 1.00 0.00 C ATOM 1458 NH1 ARG A 96 9.305 0.058 10.403 1.00 0.00 N ATOM 1459 NH2 ARG A 96 7.489 -1.094 11.015 1.00 0.00 N ATOM 0 H ARG A 96 11.315 -4.745 5.879 1.00 0.00 H new ATOM 0 HA ARG A 96 10.661 -6.426 8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.693 -4.380 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.381 -4.122 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.761 -2.896 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.064 -3.239 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.830 -1.647 8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.756 -0.934 7.759 1.00 0.00 H new ATOM 0 HE ARG A 96 8.188 -2.703 9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.138 0.154 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.087 0.767 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.883 -1.909 10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.279 -0.381 11.713 1.00 0.00 H new ATOM 1473 N PRO A 97 8.098 -6.468 7.778 1.00 0.00 N ATOM 1474 CA PRO A 97 6.715 -6.715 7.330 1.00 0.00 C ATOM 1475 C PRO A 97 5.934 -5.413 7.058 1.00 0.00 C ATOM 1476 O PRO A 97 6.026 -4.444 7.814 1.00 0.00 O ATOM 1477 CB PRO A 97 6.091 -7.499 8.501 1.00 0.00 C ATOM 1478 CG PRO A 97 6.940 -7.171 9.681 1.00 0.00 C ATOM 1479 CD PRO A 97 8.333 -6.966 9.148 1.00 0.00 C ATOM 0 HA PRO A 97 6.687 -7.252 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.055 -7.204 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.089 -8.571 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.579 -6.274 10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.918 -7.978 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.892 -6.248 9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.905 -7.894 9.147 1.00 0.00 H new ATOM 1487 N MET A 98 5.153 -5.409 5.979 1.00 0.00 N ATOM 1488 CA MET A 98 4.373 -4.232 5.578 1.00 0.00 C ATOM 1489 C MET A 98 2.918 -4.343 6.062 1.00 0.00 C ATOM 1490 O MET A 98 2.200 -5.270 5.695 1.00 0.00 O ATOM 1491 CB MET A 98 4.427 -4.082 4.047 1.00 0.00 C ATOM 1492 CG MET A 98 3.541 -2.976 3.489 1.00 0.00 C ATOM 1493 SD MET A 98 3.852 -2.660 1.740 1.00 0.00 S ATOM 1494 CE MET A 98 3.542 -4.277 1.029 1.00 0.00 C ATOM 0 H MET A 98 5.041 -6.212 5.361 1.00 0.00 H new ATOM 0 HA MET A 98 4.806 -3.346 6.042 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.458 -3.889 3.750 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.136 -5.028 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.495 -3.249 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.708 -2.060 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.948 -4.168 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.491 -4.756 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.999 -4.892 1.747 1.00 0.00 H new ATOM 1504 N LYS A 99 2.487 -3.383 6.878 1.00 0.00 N ATOM 1505 CA LYS A 99 1.160 -3.429 7.503 1.00 0.00 C ATOM 1506 C LYS A 99 0.082 -2.787 6.620 1.00 0.00 C ATOM 1507 O LYS A 99 -0.054 -1.568 6.572 1.00 0.00 O ATOM 1508 CB LYS A 99 1.203 -2.725 8.867 1.00 0.00 C ATOM 1509 CG LYS A 99 2.027 -3.467 9.914 1.00 0.00 C ATOM 1510 CD LYS A 99 1.408 -4.821 10.254 1.00 0.00 C ATOM 1511 CE LYS A 99 2.173 -5.536 11.360 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.508 -6.805 11.753 1.00 0.00 N ATOM 0 H LYS A 99 3.037 -2.560 7.124 1.00 0.00 H new ATOM 0 HA LYS A 99 0.895 -4.478 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.614 -1.724 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.185 -2.606 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.042 -3.612 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.100 -2.862 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.372 -4.679 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.392 -5.447 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.188 -5.746 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.253 -4.883 12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.056 -7.265 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.548 -6.602 12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.454 -7.438 10.930 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.678 -3.618 5.914 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.771 -3.134 5.064 1.00 0.00 C ATOM 1528 C VAL A 100 -3.141 -3.430 5.703 1.00 0.00 C ATOM 1529 O VAL A 100 -3.430 -4.570 6.076 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.722 -3.774 3.652 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.720 -3.091 2.715 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.303 -3.720 3.081 1.00 0.00 C ATOM 0 H VAL A 100 -0.561 -4.631 5.911 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.641 -2.056 4.967 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.007 -4.822 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.670 -3.555 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.728 -3.199 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.474 -2.032 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.292 -4.174 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.020 -2.682 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.375 -4.266 3.738 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.972 -2.399 5.840 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.310 -2.572 6.408 1.00 0.00 C ATOM 1544 C GLY A 101 -6.330 -1.575 5.857 1.00 0.00 C ATOM 1545 O GLY A 101 -5.959 -0.553 5.287 1.00 0.00 O ATOM 0 H GLY A 101 -3.747 -1.442 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.656 -3.586 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.255 -2.465 7.491 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.618 -1.892 5.996 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.699 -0.971 5.603 1.00 0.00 C ATOM 1551 C HIS A 102 -8.718 0.306 6.467 1.00 0.00 C ATOM 1552 O HIS A 102 -7.948 0.442 7.418 1.00 0.00 O ATOM 1553 CB HIS A 102 -10.060 -1.680 5.693 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.312 -2.357 7.010 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -10.346 -1.691 8.219 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.528 -3.662 7.304 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -10.570 -2.553 9.188 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.685 -3.755 8.664 1.00 0.00 N ATOM 0 H HIS A 102 -7.944 -2.780 6.378 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.508 -0.671 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.850 -0.951 5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.125 -2.422 4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.569 -4.478 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -10.647 -2.314 10.238 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -10.862 -4.615 9.184 1.00 0.00 H new