USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 446 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 73 SER OG : rot 100:sc= 0.184 USER MOD Set 1.2: A 75 THR OG1 : rot 37:sc= 0.365 USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -3.46! (180deg=-6.08!) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.213) USER MOD Single : A 31 MET CE :methyl 160:sc= -0.144 (180deg=-0.687) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.42) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -8:sc= 0.845 USER MOD Single : A 41 THR OG1 : rot -159:sc= -1.94! USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.05 (180deg=-0.257) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0292 (180deg=-0.245) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 161:sc= -0.122 (180deg=-0.674) USER MOD Single : A 59 SER OG : rot 180:sc= -0.121 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -123:sc= -1.33 (180deg=-2) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -1.98! (180deg=-2.08!) USER MOD Single : A 78 TYR OH : rot -30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N LEU A 25 0.110 -9.862 3.042 1.00 0.00 N ATOM 350 CA LEU A 25 -0.078 -10.635 1.809 1.00 0.00 C ATOM 351 C LEU A 25 -0.799 -11.963 2.039 1.00 0.00 C ATOM 352 O LEU A 25 -1.384 -12.518 1.112 1.00 0.00 O ATOM 353 CB LEU A 25 1.271 -10.918 1.145 1.00 0.00 C ATOM 354 CG LEU A 25 1.187 -11.704 -0.169 1.00 0.00 C ATOM 355 CD1 LEU A 25 0.624 -10.830 -1.280 1.00 0.00 C ATOM 356 CD2 LEU A 25 2.548 -12.259 -0.557 1.00 0.00 C ATOM 0 HA LEU A 25 -0.704 -10.022 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.772 -9.969 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.896 -11.473 1.845 1.00 0.00 H new ATOM 0 HG LEU A 25 0.511 -12.546 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.572 -11.405 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.375 -10.492 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.272 -9.966 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.462 -12.812 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.253 -11.438 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.906 -12.926 0.227 1.00 0.00 H new ATOM 368 N LYS A 26 -0.729 -12.491 3.254 1.00 0.00 N ATOM 369 CA LYS A 26 -1.356 -13.774 3.547 1.00 0.00 C ATOM 370 C LYS A 26 -2.800 -13.643 4.042 1.00 0.00 C ATOM 371 O LYS A 26 -3.733 -14.077 3.366 1.00 0.00 O ATOM 372 CB LYS A 26 -0.521 -14.532 4.579 1.00 0.00 C ATOM 373 CG LYS A 26 -1.036 -15.932 4.874 1.00 0.00 C ATOM 374 CD LYS A 26 -0.098 -16.701 5.796 1.00 0.00 C ATOM 375 CE LYS A 26 1.203 -17.085 5.099 1.00 0.00 C ATOM 376 NZ LYS A 26 2.031 -15.898 4.748 1.00 0.00 N ATOM 0 H LYS A 26 -0.251 -12.058 4.044 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.396 -14.327 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.507 -14.600 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.499 -13.960 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.023 -15.866 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.155 -16.479 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.126 -16.094 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.598 -17.602 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.778 -17.747 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.975 -17.646 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.039 -16.146 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.811 -15.596 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.822 -15.122 5.408 1.00 0.00 H new ATOM 390 N GLU A 27 -2.977 -13.092 5.240 1.00 0.00 N ATOM 391 CA GLU A 27 -4.309 -12.967 5.835 1.00 0.00 C ATOM 392 C GLU A 27 -5.032 -11.666 5.479 1.00 0.00 C ATOM 393 O GLU A 27 -6.058 -11.681 4.799 1.00 0.00 O ATOM 394 CB GLU A 27 -4.198 -13.075 7.354 1.00 0.00 C ATOM 395 CG GLU A 27 -3.564 -14.374 7.827 1.00 0.00 C ATOM 396 CD GLU A 27 -3.438 -14.448 9.337 1.00 0.00 C ATOM 397 OE1 GLU A 27 -3.837 -13.479 10.016 1.00 0.00 O ATOM 398 OE2 GLU A 27 -2.938 -15.476 9.840 1.00 0.00 O ATOM 0 H GLU A 27 -2.220 -12.726 5.817 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.906 -13.779 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.610 -12.236 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.193 -12.986 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.162 -15.215 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.576 -14.476 7.379 1.00 0.00 H new ATOM 405 N LEU A 28 -4.518 -10.552 5.990 1.00 0.00 N ATOM 406 CA LEU A 28 -5.138 -9.242 5.783 1.00 0.00 C ATOM 407 C LEU A 28 -5.234 -8.845 4.312 1.00 0.00 C ATOM 408 O LEU A 28 -6.330 -8.699 3.775 1.00 0.00 O ATOM 409 CB LEU A 28 -4.371 -8.161 6.554 1.00 0.00 C ATOM 410 CG LEU A 28 -4.518 -8.202 8.081 1.00 0.00 C ATOM 411 CD1 LEU A 28 -5.984 -8.134 8.481 1.00 0.00 C ATOM 412 CD2 LEU A 28 -3.864 -9.448 8.658 1.00 0.00 C ATOM 0 H LEU A 28 -3.669 -10.528 6.554 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.157 -9.325 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.313 -8.246 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.703 -7.185 6.201 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.008 -7.331 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.066 -8.164 9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.420 -7.206 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.518 -8.982 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.982 -9.453 9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.337 -10.335 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.803 -9.450 8.409 1.00 0.00 H new ATOM 424 N PHE A 29 -4.085 -8.630 3.687 1.00 0.00 N ATOM 425 CA PHE A 29 -4.023 -8.202 2.292 1.00 0.00 C ATOM 426 C PHE A 29 -5.002 -8.967 1.396 1.00 0.00 C ATOM 427 O PHE A 29 -5.699 -8.370 0.576 1.00 0.00 O ATOM 428 CB PHE A 29 -2.598 -8.364 1.772 1.00 0.00 C ATOM 429 CG PHE A 29 -2.309 -7.578 0.532 1.00 0.00 C ATOM 430 CD1 PHE A 29 -2.819 -6.301 0.372 1.00 0.00 C ATOM 431 CD2 PHE A 29 -1.517 -8.110 -0.467 1.00 0.00 C ATOM 432 CE1 PHE A 29 -2.546 -5.570 -0.763 1.00 0.00 C ATOM 433 CE2 PHE A 29 -1.241 -7.385 -1.606 1.00 0.00 C ATOM 434 CZ PHE A 29 -1.756 -6.112 -1.755 1.00 0.00 C ATOM 0 H PHE A 29 -3.172 -8.746 4.128 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.318 -7.153 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.901 -8.060 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.413 -9.419 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.438 -5.873 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.110 -9.104 -0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.950 -4.575 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.622 -7.812 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.540 -5.542 -2.647 1.00 0.00 H new ATOM 444 N LYS A 30 -5.040 -10.284 1.545 1.00 0.00 N ATOM 445 CA LYS A 30 -5.924 -11.124 0.735 1.00 0.00 C ATOM 446 C LYS A 30 -7.396 -10.940 1.107 1.00 0.00 C ATOM 447 O LYS A 30 -8.278 -11.120 0.272 1.00 0.00 O ATOM 448 CB LYS A 30 -5.546 -12.598 0.895 1.00 0.00 C ATOM 449 CG LYS A 30 -4.162 -12.940 0.370 1.00 0.00 C ATOM 450 CD LYS A 30 -4.064 -12.748 -1.135 1.00 0.00 C ATOM 451 CE LYS A 30 -5.002 -13.684 -1.882 1.00 0.00 C ATOM 452 NZ LYS A 30 -4.700 -15.115 -1.600 1.00 0.00 N ATOM 0 H LYS A 30 -4.471 -10.798 2.218 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.796 -10.814 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.599 -12.864 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.283 -13.210 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.421 -12.313 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.924 -13.974 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.304 -11.715 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.038 -12.925 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.032 -13.468 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.921 -13.500 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.189 -15.716 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.674 -15.273 -1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.026 -15.356 -0.642 1.00 0.00 H new ATOM 466 N MET A 31 -7.657 -10.610 2.365 1.00 0.00 N ATOM 467 CA MET A 31 -9.027 -10.437 2.844 1.00 0.00 C ATOM 468 C MET A 31 -9.521 -9.001 2.680 1.00 0.00 C ATOM 469 O MET A 31 -10.717 -8.731 2.802 1.00 0.00 O ATOM 470 CB MET A 31 -9.123 -10.862 4.312 1.00 0.00 C ATOM 471 CG MET A 31 -10.537 -10.816 4.871 1.00 0.00 C ATOM 472 SD MET A 31 -10.629 -11.382 6.581 1.00 0.00 S ATOM 473 CE MET A 31 -9.559 -10.197 7.392 1.00 0.00 C ATOM 0 H MET A 31 -6.940 -10.456 3.074 1.00 0.00 H new ATOM 0 HA MET A 31 -9.670 -11.071 2.234 1.00 0.00 H new ATOM 0 HB2 MET A 31 -8.734 -11.875 4.414 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.484 -10.214 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 31 -10.914 -9.795 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 31 -11.188 -11.434 4.253 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.780 -10.178 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.518 -10.484 7.242 1.00 0.00 H new ATOM 0 HE3 MET A 31 -9.727 -9.206 6.969 1.00 0.00 H new ATOM 483 N ILE A 32 -8.602 -8.079 2.428 1.00 0.00 N ATOM 484 CA ILE A 32 -8.960 -6.673 2.281 1.00 0.00 C ATOM 485 C ILE A 32 -9.225 -6.311 0.826 1.00 0.00 C ATOM 486 O ILE A 32 -10.006 -5.403 0.535 1.00 0.00 O ATOM 487 CB ILE A 32 -7.861 -5.758 2.855 1.00 0.00 C ATOM 488 CG1 ILE A 32 -8.284 -4.291 2.773 1.00 0.00 C ATOM 489 CG2 ILE A 32 -6.547 -5.980 2.123 1.00 0.00 C ATOM 490 CD1 ILE A 32 -7.283 -3.345 3.397 1.00 0.00 C ATOM 0 H ILE A 32 -7.607 -8.277 2.321 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.879 -6.518 2.846 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.716 -6.012 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.428 -4.019 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.247 -4.169 3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.782 -5.326 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.238 -7.019 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.678 -5.755 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.644 -2.321 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.157 -3.592 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.325 -3.440 2.885 1.00 0.00 H new ATOM 502 N ASP A 33 -8.580 -7.026 -0.085 1.00 0.00 N ATOM 503 CA ASP A 33 -8.757 -6.777 -1.507 1.00 0.00 C ATOM 504 C ASP A 33 -9.914 -7.604 -2.052 1.00 0.00 C ATOM 505 O ASP A 33 -9.939 -8.826 -1.907 1.00 0.00 O ATOM 506 CB ASP A 33 -7.472 -7.097 -2.270 1.00 0.00 C ATOM 507 CG ASP A 33 -7.589 -6.781 -3.747 1.00 0.00 C ATOM 508 OD1 ASP A 33 -7.951 -5.633 -4.080 1.00 0.00 O ATOM 509 OD2 ASP A 33 -7.310 -7.676 -4.571 1.00 0.00 O ATOM 0 H ASP A 33 -7.931 -7.781 0.135 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.989 -5.721 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.647 -6.528 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.230 -8.152 -2.144 1.00 0.00 H new ATOM 514 N THR A 34 -10.871 -6.930 -2.679 1.00 0.00 N ATOM 515 CA THR A 34 -12.032 -7.602 -3.246 1.00 0.00 C ATOM 516 C THR A 34 -11.603 -8.520 -4.381 1.00 0.00 C ATOM 517 O THR A 34 -12.361 -9.385 -4.822 1.00 0.00 O ATOM 518 CB THR A 34 -13.043 -6.570 -3.753 1.00 0.00 C ATOM 519 OG1 THR A 34 -13.433 -5.698 -2.707 1.00 0.00 O ATOM 520 CG2 THR A 34 -14.303 -7.187 -4.325 1.00 0.00 C ATOM 0 H THR A 34 -10.865 -5.918 -2.807 1.00 0.00 H new ATOM 0 HA THR A 34 -12.505 -8.203 -2.469 1.00 0.00 H new ATOM 0 HB THR A 34 -12.528 -6.034 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.078 -5.044 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.973 -6.397 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.044 -7.830 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.800 -7.779 -3.556 1.00 0.00 H new ATOM 528 N ASP A 35 -10.377 -8.322 -4.849 1.00 0.00 N ATOM 529 CA ASP A 35 -9.835 -9.123 -5.935 1.00 0.00 C ATOM 530 C ASP A 35 -8.905 -10.212 -5.435 1.00 0.00 C ATOM 531 O ASP A 35 -8.654 -11.182 -6.151 1.00 0.00 O ATOM 532 CB ASP A 35 -9.112 -8.234 -6.943 1.00 0.00 C ATOM 533 CG ASP A 35 -10.076 -7.475 -7.831 1.00 0.00 C ATOM 534 OD1 ASP A 35 -10.868 -8.129 -8.541 1.00 0.00 O ATOM 535 OD2 ASP A 35 -10.039 -6.230 -7.817 1.00 0.00 O ATOM 0 H ASP A 35 -9.739 -7.611 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.677 -9.613 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.477 -7.526 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.457 -8.847 -7.562 1.00 0.00 H new ATOM 540 N ASN A 36 -8.390 -10.064 -4.215 1.00 0.00 N ATOM 541 CA ASN A 36 -7.486 -11.061 -3.667 1.00 0.00 C ATOM 542 C ASN A 36 -6.389 -11.375 -4.681 1.00 0.00 C ATOM 543 O ASN A 36 -5.774 -12.441 -4.632 1.00 0.00 O ATOM 544 CB ASN A 36 -8.251 -12.346 -3.334 1.00 0.00 C ATOM 545 CG ASN A 36 -9.619 -12.077 -2.737 1.00 0.00 C ATOM 546 OD1 ASN A 36 -9.742 -11.435 -1.697 1.00 0.00 O ATOM 547 ND2 ASN A 36 -10.658 -12.571 -3.399 1.00 0.00 N ATOM 0 H ASN A 36 -8.582 -9.274 -3.599 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.040 -10.664 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.366 -12.941 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.665 -12.942 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.604 -12.423 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.510 -13.099 -4.259 1.00 0.00 H new ATOM 554 N SER A 37 -6.151 -10.443 -5.607 1.00 0.00 N ATOM 555 CA SER A 37 -5.134 -10.636 -6.629 1.00 0.00 C ATOM 556 C SER A 37 -3.788 -10.224 -6.079 1.00 0.00 C ATOM 557 O SER A 37 -2.738 -10.554 -6.632 1.00 0.00 O ATOM 558 CB SER A 37 -5.468 -9.822 -7.880 1.00 0.00 C ATOM 559 OG SER A 37 -5.528 -8.437 -7.586 1.00 0.00 O ATOM 0 H SER A 37 -6.648 -9.554 -5.666 1.00 0.00 H new ATOM 0 HA SER A 37 -5.104 -11.689 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.714 -10.002 -8.647 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.423 -10.152 -8.288 1.00 0.00 H new ATOM 0 HG SER A 37 -5.741 -7.938 -8.402 1.00 0.00 H new ATOM 565 N GLY A 38 -3.839 -9.494 -4.978 1.00 0.00 N ATOM 566 CA GLY A 38 -2.624 -9.027 -4.341 1.00 0.00 C ATOM 567 C GLY A 38 -2.383 -7.560 -4.603 1.00 0.00 C ATOM 568 O GLY A 38 -1.247 -7.088 -4.567 1.00 0.00 O ATOM 0 H GLY A 38 -4.702 -9.215 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.688 -9.199 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.776 -9.606 -4.707 1.00 0.00 H new ATOM 572 N THR A 39 -3.464 -6.842 -4.871 1.00 0.00 N ATOM 573 CA THR A 39 -3.396 -5.417 -5.144 1.00 0.00 C ATOM 574 C THR A 39 -4.766 -4.777 -4.969 1.00 0.00 C ATOM 575 O THR A 39 -5.765 -5.291 -5.472 1.00 0.00 O ATOM 576 CB THR A 39 -2.884 -5.172 -6.561 1.00 0.00 C ATOM 577 OG1 THR A 39 -1.543 -5.605 -6.697 1.00 0.00 O ATOM 578 CG2 THR A 39 -2.946 -3.721 -6.963 1.00 0.00 C ATOM 0 H THR A 39 -4.407 -7.230 -4.905 1.00 0.00 H new ATOM 0 HA THR A 39 -2.703 -4.964 -4.435 1.00 0.00 H new ATOM 0 HB THR A 39 -3.543 -5.745 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.189 -5.854 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.569 -3.609 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.979 -3.375 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.335 -3.128 -6.282 1.00 0.00 H new ATOM 586 N ILE A 40 -4.814 -3.653 -4.260 1.00 0.00 N ATOM 587 CA ILE A 40 -6.074 -2.959 -4.037 1.00 0.00 C ATOM 588 C ILE A 40 -6.176 -1.707 -4.904 1.00 0.00 C ATOM 589 O ILE A 40 -5.170 -1.082 -5.232 1.00 0.00 O ATOM 590 CB ILE A 40 -6.248 -2.572 -2.548 1.00 0.00 C ATOM 591 CG1 ILE A 40 -6.605 -3.805 -1.721 1.00 0.00 C ATOM 592 CG2 ILE A 40 -7.318 -1.500 -2.378 1.00 0.00 C ATOM 593 CD1 ILE A 40 -6.587 -3.558 -0.227 1.00 0.00 C ATOM 0 H ILE A 40 -4.001 -3.208 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.871 -3.648 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.301 -2.165 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.596 -4.153 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.904 -4.606 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.417 -1.249 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.032 -0.609 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.271 -1.874 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.850 -4.477 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.590 -3.240 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.308 -2.779 0.022 1.00 0.00 H new ATOM 605 N THR A 41 -7.404 -1.346 -5.258 1.00 0.00 N ATOM 606 CA THR A 41 -7.663 -0.165 -6.070 1.00 0.00 C ATOM 607 C THR A 41 -8.808 0.628 -5.452 1.00 0.00 C ATOM 608 O THR A 41 -9.509 0.118 -4.593 1.00 0.00 O ATOM 609 CB THR A 41 -8.012 -0.570 -7.505 1.00 0.00 C ATOM 610 OG1 THR A 41 -7.055 -1.481 -8.015 1.00 0.00 O ATOM 611 CG2 THR A 41 -8.079 0.598 -8.465 1.00 0.00 C ATOM 0 H THR A 41 -8.243 -1.861 -4.992 1.00 0.00 H new ATOM 0 HA THR A 41 -6.767 0.455 -6.099 1.00 0.00 H new ATOM 0 HB THR A 41 -9.001 -1.023 -7.439 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.086 -1.474 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.331 0.236 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.842 1.300 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.112 1.100 -8.495 1.00 0.00 H new ATOM 619 N PHE A 42 -8.984 1.868 -5.886 1.00 0.00 N ATOM 620 CA PHE A 42 -10.040 2.732 -5.379 1.00 0.00 C ATOM 621 C PHE A 42 -11.417 2.119 -5.621 1.00 0.00 C ATOM 622 O PHE A 42 -12.204 1.961 -4.688 1.00 0.00 O ATOM 623 CB PHE A 42 -9.949 4.104 -6.048 1.00 0.00 C ATOM 624 CG PHE A 42 -11.115 4.998 -5.749 1.00 0.00 C ATOM 625 CD1 PHE A 42 -11.566 5.163 -4.451 1.00 0.00 C ATOM 626 CD2 PHE A 42 -11.762 5.667 -6.771 1.00 0.00 C ATOM 627 CE1 PHE A 42 -12.642 5.981 -4.179 1.00 0.00 C ATOM 628 CE2 PHE A 42 -12.839 6.486 -6.507 1.00 0.00 C ATOM 629 CZ PHE A 42 -13.282 6.644 -5.208 1.00 0.00 C ATOM 0 H PHE A 42 -8.399 2.303 -6.599 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.907 2.844 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.032 4.597 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.874 3.968 -7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.070 4.646 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.420 5.547 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.984 6.103 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.336 7.003 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.126 7.284 -4.998 1.00 0.00 H new ATOM 639 N ASP A 43 -11.704 1.773 -6.875 1.00 0.00 N ATOM 640 CA ASP A 43 -12.988 1.171 -7.218 1.00 0.00 C ATOM 641 C ASP A 43 -13.215 -0.071 -6.368 1.00 0.00 C ATOM 642 O ASP A 43 -14.348 -0.423 -6.039 1.00 0.00 O ATOM 643 CB ASP A 43 -13.032 0.808 -8.704 1.00 0.00 C ATOM 644 CG ASP A 43 -14.349 0.172 -9.105 1.00 0.00 C ATOM 645 OD1 ASP A 43 -15.399 0.825 -8.934 1.00 0.00 O ATOM 646 OD2 ASP A 43 -14.329 -0.978 -9.591 1.00 0.00 O ATOM 0 H ASP A 43 -11.069 1.898 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.780 1.893 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.869 1.706 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.216 0.122 -8.932 1.00 0.00 H new ATOM 651 N GLU A 44 -12.112 -0.715 -6.004 1.00 0.00 N ATOM 652 CA GLU A 44 -12.145 -1.909 -5.173 1.00 0.00 C ATOM 653 C GLU A 44 -12.087 -1.510 -3.703 1.00 0.00 C ATOM 654 O GLU A 44 -12.497 -2.262 -2.819 1.00 0.00 O ATOM 655 CB GLU A 44 -10.950 -2.801 -5.510 1.00 0.00 C ATOM 656 CG GLU A 44 -10.756 -3.021 -7.002 1.00 0.00 C ATOM 657 CD GLU A 44 -9.407 -3.630 -7.331 1.00 0.00 C ATOM 658 OE1 GLU A 44 -8.632 -3.903 -6.390 1.00 0.00 O ATOM 659 OE2 GLU A 44 -9.126 -3.835 -8.531 1.00 0.00 O ATOM 0 H GLU A 44 -11.173 -0.424 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.069 -2.456 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.046 -2.354 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.080 -3.767 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.546 -3.673 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.857 -2.068 -7.522 1.00 0.00 H new ATOM 666 N LEU A 45 -11.556 -0.315 -3.465 1.00 0.00 N ATOM 667 CA LEU A 45 -11.408 0.221 -2.123 1.00 0.00 C ATOM 668 C LEU A 45 -12.767 0.504 -1.495 1.00 0.00 C ATOM 669 O LEU A 45 -13.143 -0.105 -0.494 1.00 0.00 O ATOM 670 CB LEU A 45 -10.578 1.506 -2.145 1.00 0.00 C ATOM 671 CG LEU A 45 -10.324 2.130 -0.772 1.00 0.00 C ATOM 672 CD1 LEU A 45 -9.505 1.191 0.100 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.624 3.470 -0.918 1.00 0.00 C ATOM 0 H LEU A 45 -11.217 0.307 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.893 -0.529 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.618 1.293 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.085 2.238 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.286 2.295 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.335 1.653 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.046 0.254 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.547 0.992 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.451 3.900 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.669 3.328 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.249 4.145 -1.503 1.00 0.00 H new ATOM 685 N LYS A 46 -13.491 1.445 -2.096 1.00 0.00 N ATOM 686 CA LYS A 46 -14.812 1.836 -1.616 1.00 0.00 C ATOM 687 C LYS A 46 -15.751 0.637 -1.526 1.00 0.00 C ATOM 688 O LYS A 46 -16.544 0.537 -0.597 1.00 0.00 O ATOM 689 CB LYS A 46 -15.408 2.902 -2.538 1.00 0.00 C ATOM 690 CG LYS A 46 -15.443 2.490 -4.003 1.00 0.00 C ATOM 691 CD LYS A 46 -15.988 3.600 -4.889 1.00 0.00 C ATOM 692 CE LYS A 46 -17.435 3.929 -4.555 1.00 0.00 C ATOM 693 NZ LYS A 46 -18.331 2.756 -4.749 1.00 0.00 N ATOM 0 H LYS A 46 -13.181 1.954 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.698 2.247 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.422 3.129 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.828 3.820 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.438 2.224 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.061 1.599 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.375 4.494 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.915 3.300 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.501 4.269 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.774 4.753 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.322 3.072 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.117 2.302 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.181 2.074 -3.979 1.00 0.00 H new ATOM 707 N ASP A 47 -15.653 -0.268 -2.494 1.00 0.00 N ATOM 708 CA ASP A 47 -16.494 -1.461 -2.522 1.00 0.00 C ATOM 709 C ASP A 47 -16.163 -2.374 -1.347 1.00 0.00 C ATOM 710 O ASP A 47 -16.943 -3.256 -0.988 1.00 0.00 O ATOM 711 CB ASP A 47 -16.298 -2.206 -3.845 1.00 0.00 C ATOM 712 CG ASP A 47 -17.266 -3.363 -4.020 1.00 0.00 C ATOM 713 OD1 ASP A 47 -17.181 -4.336 -3.241 1.00 0.00 O ATOM 714 OD2 ASP A 47 -18.110 -3.294 -4.937 1.00 0.00 O ATOM 0 H ASP A 47 -14.997 -0.198 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.537 -1.157 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.422 -1.507 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.276 -2.582 -3.896 1.00 0.00 H new ATOM 719 N GLY A 48 -15.007 -2.137 -0.741 1.00 0.00 N ATOM 720 CA GLY A 48 -14.585 -2.926 0.400 1.00 0.00 C ATOM 721 C GLY A 48 -15.087 -2.325 1.689 1.00 0.00 C ATOM 722 O GLY A 48 -15.556 -3.034 2.579 1.00 0.00 O ATOM 0 H GLY A 48 -14.351 -1.408 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.959 -3.945 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.497 -2.986 0.422 1.00 0.00 H new ATOM 726 N LEU A 49 -15.012 -1.003 1.770 1.00 0.00 N ATOM 727 CA LEU A 49 -15.487 -0.281 2.937 1.00 0.00 C ATOM 728 C LEU A 49 -17.005 -0.211 2.874 1.00 0.00 C ATOM 729 O LEU A 49 -17.682 -0.016 3.882 1.00 0.00 O ATOM 730 CB LEU A 49 -14.867 1.123 2.973 1.00 0.00 C ATOM 731 CG LEU A 49 -15.062 1.914 4.273 1.00 0.00 C ATOM 732 CD1 LEU A 49 -14.021 3.017 4.377 1.00 0.00 C ATOM 733 CD2 LEU A 49 -16.458 2.514 4.341 1.00 0.00 C ATOM 0 H LEU A 49 -14.625 -0.409 1.037 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.190 -0.796 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.797 1.031 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.286 1.704 2.152 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.941 1.225 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.170 3.571 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.024 2.577 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.122 3.694 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.570 3.069 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.606 3.187 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -17.199 1.716 4.303 1.00 0.00 H new ATOM 745 N LYS A 50 -17.530 -0.399 1.666 1.00 0.00 N ATOM 746 CA LYS A 50 -18.966 -0.382 1.440 1.00 0.00 C ATOM 747 C LYS A 50 -19.561 -1.753 1.727 1.00 0.00 C ATOM 748 O LYS A 50 -20.673 -1.864 2.244 1.00 0.00 O ATOM 749 CB LYS A 50 -19.286 0.033 0.001 1.00 0.00 C ATOM 750 CG LYS A 50 -20.775 0.091 -0.308 1.00 0.00 C ATOM 751 CD LYS A 50 -21.482 1.138 0.538 1.00 0.00 C ATOM 752 CE LYS A 50 -22.968 1.198 0.224 1.00 0.00 C ATOM 753 NZ LYS A 50 -23.222 1.569 -1.195 1.00 0.00 N ATOM 0 H LYS A 50 -16.976 -0.566 0.826 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.408 0.348 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.847 1.012 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.810 -0.669 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.919 0.318 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -21.223 -0.886 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.341 0.909 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.032 2.115 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -23.422 0.229 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.449 1.924 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.222 1.830 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.621 2.377 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.001 0.760 -1.810 1.00 0.00 H new ATOM 767 N ARG A 51 -18.807 -2.796 1.384 1.00 0.00 N ATOM 768 CA ARG A 51 -19.254 -4.169 1.602 1.00 0.00 C ATOM 769 C ARG A 51 -19.719 -4.370 3.043 1.00 0.00 C ATOM 770 O ARG A 51 -20.610 -5.177 3.310 1.00 0.00 O ATOM 771 CB ARG A 51 -18.133 -5.157 1.267 1.00 0.00 C ATOM 772 CG ARG A 51 -18.525 -6.612 1.474 1.00 0.00 C ATOM 773 CD ARG A 51 -17.421 -7.560 1.034 1.00 0.00 C ATOM 774 NE ARG A 51 -16.181 -7.341 1.772 1.00 0.00 N ATOM 775 CZ ARG A 51 -15.077 -8.060 1.591 1.00 0.00 C ATOM 776 NH1 ARG A 51 -15.062 -9.048 0.706 1.00 0.00 N ATOM 777 NH2 ARG A 51 -13.987 -7.793 2.297 1.00 0.00 N ATOM 0 H ARG A 51 -17.885 -2.716 0.955 1.00 0.00 H new ATOM 0 HA ARG A 51 -20.099 -4.357 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.832 -5.014 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.264 -4.932 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -18.752 -6.781 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.434 -6.827 0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.750 -8.589 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.235 -7.429 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.160 -6.594 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.899 -9.258 0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.214 -9.598 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.995 -7.035 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.141 -8.345 2.157 1.00 0.00 H new ATOM 791 N VAL A 52 -19.118 -3.625 3.968 1.00 0.00 N ATOM 792 CA VAL A 52 -19.482 -3.720 5.377 1.00 0.00 C ATOM 793 C VAL A 52 -20.615 -2.754 5.713 1.00 0.00 C ATOM 794 O VAL A 52 -21.437 -3.028 6.588 1.00 0.00 O ATOM 795 CB VAL A 52 -18.279 -3.438 6.298 1.00 0.00 C ATOM 796 CG1 VAL A 52 -17.175 -4.456 6.060 1.00 0.00 C ATOM 797 CG2 VAL A 52 -17.759 -2.024 6.089 1.00 0.00 C ATOM 0 H VAL A 52 -18.379 -2.951 3.767 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.816 -4.743 5.549 1.00 0.00 H new ATOM 0 HB VAL A 52 -18.612 -3.527 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.334 -4.241 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.552 -5.457 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.846 -4.400 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.910 -1.847 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.444 -1.902 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.550 -1.308 6.315 1.00 0.00 H new ATOM 807 N GLY A 53 -20.660 -1.628 5.003 1.00 0.00 N ATOM 808 CA GLY A 53 -21.705 -0.646 5.235 1.00 0.00 C ATOM 809 C GLY A 53 -21.593 0.031 6.586 1.00 0.00 C ATOM 810 O GLY A 53 -22.576 0.116 7.322 1.00 0.00 O ATOM 0 H GLY A 53 -19.992 -1.379 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.665 0.111 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.677 -1.133 5.159 1.00 0.00 H new ATOM 814 N SER A 54 -20.397 0.512 6.918 1.00 0.00 N ATOM 815 CA SER A 54 -20.172 1.181 8.195 1.00 0.00 C ATOM 816 C SER A 54 -21.054 2.424 8.323 1.00 0.00 C ATOM 817 O SER A 54 -22.244 2.319 8.623 1.00 0.00 O ATOM 818 CB SER A 54 -18.695 1.556 8.345 1.00 0.00 C ATOM 819 OG SER A 54 -17.869 0.404 8.316 1.00 0.00 O ATOM 0 H SER A 54 -19.572 0.451 6.322 1.00 0.00 H new ATOM 0 HA SER A 54 -20.441 0.491 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.406 2.235 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.546 2.090 9.283 1.00 0.00 H new ATOM 0 HG SER A 54 -16.931 0.671 8.412 1.00 0.00 H new ATOM 825 N GLU A 55 -20.468 3.598 8.094 1.00 0.00 N ATOM 826 CA GLU A 55 -21.208 4.853 8.185 1.00 0.00 C ATOM 827 C GLU A 55 -20.333 6.031 7.766 1.00 0.00 C ATOM 828 O GLU A 55 -20.348 7.085 8.403 1.00 0.00 O ATOM 829 CB GLU A 55 -21.724 5.066 9.611 1.00 0.00 C ATOM 830 CG GLU A 55 -20.625 5.066 10.662 1.00 0.00 C ATOM 831 CD GLU A 55 -21.161 5.274 12.065 1.00 0.00 C ATOM 832 OE1 GLU A 55 -21.780 6.330 12.314 1.00 0.00 O ATOM 833 OE2 GLU A 55 -20.962 4.381 12.915 1.00 0.00 O ATOM 0 H GLU A 55 -19.485 3.705 7.845 1.00 0.00 H new ATOM 0 HA GLU A 55 -22.058 4.794 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.259 6.014 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -22.443 4.282 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.086 4.119 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -19.906 5.852 10.431 1.00 0.00 H new ATOM 840 N LEU A 56 -19.568 5.849 6.694 1.00 0.00 N ATOM 841 CA LEU A 56 -18.686 6.903 6.206 1.00 0.00 C ATOM 842 C LEU A 56 -19.156 7.438 4.867 1.00 0.00 C ATOM 843 O LEU A 56 -20.140 6.964 4.299 1.00 0.00 O ATOM 844 CB LEU A 56 -17.255 6.387 6.055 1.00 0.00 C ATOM 845 CG LEU A 56 -16.748 5.516 7.210 1.00 0.00 C ATOM 846 CD1 LEU A 56 -15.325 5.051 6.943 1.00 0.00 C ATOM 847 CD2 LEU A 56 -16.822 6.276 8.527 1.00 0.00 C ATOM 0 H LEU A 56 -19.541 4.987 6.150 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.710 7.707 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -17.189 5.812 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.588 7.242 5.946 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.390 4.638 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.982 4.434 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.300 4.467 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.672 5.918 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.458 5.641 9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.206 7.173 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.856 6.559 8.726 1.00 0.00 H new ATOM 859 N MET A 57 -18.422 8.419 4.365 1.00 0.00 N ATOM 860 CA MET A 57 -18.726 9.022 3.084 1.00 0.00 C ATOM 861 C MET A 57 -17.695 8.570 2.058 1.00 0.00 C ATOM 862 O MET A 57 -16.491 8.719 2.270 1.00 0.00 O ATOM 863 CB MET A 57 -18.731 10.550 3.202 1.00 0.00 C ATOM 864 CG MET A 57 -19.267 11.260 1.968 1.00 0.00 C ATOM 865 SD MET A 57 -20.995 10.867 1.634 1.00 0.00 S ATOM 866 CE MET A 57 -21.781 11.525 3.103 1.00 0.00 C ATOM 0 H MET A 57 -17.606 8.814 4.832 1.00 0.00 H new ATOM 0 HA MET A 57 -19.717 8.704 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 57 -19.333 10.836 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 57 -17.715 10.893 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 57 -19.163 12.337 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 57 -18.662 10.984 1.104 1.00 0.00 H new ATOM 0 HE1 MET A 57 -22.844 11.670 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 57 -21.652 10.825 3.929 1.00 0.00 H new ATOM 0 HE3 MET A 57 -21.325 12.481 3.362 1.00 0.00 H new ATOM 876 N GLU A 58 -18.175 8.007 0.955 1.00 0.00 N ATOM 877 CA GLU A 58 -17.304 7.516 -0.116 1.00 0.00 C ATOM 878 C GLU A 58 -16.286 8.571 -0.539 1.00 0.00 C ATOM 879 O GLU A 58 -15.351 8.290 -1.290 1.00 0.00 O ATOM 880 CB GLU A 58 -18.131 7.103 -1.334 1.00 0.00 C ATOM 881 CG GLU A 58 -18.932 8.240 -1.956 1.00 0.00 C ATOM 882 CD GLU A 58 -20.217 8.547 -1.208 1.00 0.00 C ATOM 883 OE1 GLU A 58 -20.570 7.781 -0.287 1.00 0.00 O ATOM 884 OE2 GLU A 58 -20.881 9.545 -1.558 1.00 0.00 O ATOM 0 H GLU A 58 -19.170 7.877 0.775 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.769 6.651 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -17.464 6.687 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.816 6.307 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.314 9.137 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.172 7.984 -2.988 1.00 0.00 H new ATOM 891 N SER A 59 -16.489 9.782 -0.055 1.00 0.00 N ATOM 892 CA SER A 59 -15.614 10.906 -0.369 1.00 0.00 C ATOM 893 C SER A 59 -14.229 10.718 0.238 1.00 0.00 C ATOM 894 O SER A 59 -13.219 10.946 -0.424 1.00 0.00 O ATOM 895 CB SER A 59 -16.230 12.212 0.134 1.00 0.00 C ATOM 896 OG SER A 59 -17.488 12.450 -0.472 1.00 0.00 O ATOM 0 H SER A 59 -17.263 10.018 0.566 1.00 0.00 H new ATOM 0 HA SER A 59 -15.506 10.952 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.347 12.169 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.557 13.042 -0.081 1.00 0.00 H new ATOM 0 HG SER A 59 -17.861 13.290 -0.132 1.00 0.00 H new ATOM 902 N GLU A 60 -14.184 10.299 1.498 1.00 0.00 N ATOM 903 CA GLU A 60 -12.918 10.082 2.180 1.00 0.00 C ATOM 904 C GLU A 60 -12.190 8.893 1.571 1.00 0.00 C ATOM 905 O GLU A 60 -10.981 8.749 1.725 1.00 0.00 O ATOM 906 CB GLU A 60 -13.154 9.847 3.675 1.00 0.00 C ATOM 907 CG GLU A 60 -11.874 9.661 4.475 1.00 0.00 C ATOM 908 CD GLU A 60 -12.138 9.440 5.951 1.00 0.00 C ATOM 909 OE1 GLU A 60 -12.826 8.454 6.290 1.00 0.00 O ATOM 910 OE2 GLU A 60 -11.656 10.252 6.769 1.00 0.00 O ATOM 0 H GLU A 60 -15.009 10.104 2.065 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.300 10.972 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.708 10.692 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.782 8.965 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.321 8.810 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.241 10.539 4.350 1.00 0.00 H new ATOM 917 N ILE A 61 -12.944 8.046 0.879 1.00 0.00 N ATOM 918 CA ILE A 61 -12.385 6.861 0.241 1.00 0.00 C ATOM 919 C ILE A 61 -11.485 7.231 -0.935 1.00 0.00 C ATOM 920 O ILE A 61 -10.457 6.592 -1.162 1.00 0.00 O ATOM 921 CB ILE A 61 -13.500 5.918 -0.250 1.00 0.00 C ATOM 922 CG1 ILE A 61 -14.427 5.548 0.912 1.00 0.00 C ATOM 923 CG2 ILE A 61 -12.898 4.669 -0.879 1.00 0.00 C ATOM 924 CD1 ILE A 61 -15.532 4.584 0.532 1.00 0.00 C ATOM 0 H ILE A 61 -13.949 8.160 0.746 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.787 6.348 0.994 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.088 6.433 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -13.832 5.107 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -14.874 6.458 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -13.698 4.012 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.274 4.953 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.290 4.146 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -16.146 4.371 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -16.152 5.030 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.095 3.657 0.161 1.00 0.00 H new ATOM 936 N LYS A 62 -11.876 8.259 -1.686 1.00 0.00 N ATOM 937 CA LYS A 62 -11.093 8.692 -2.838 1.00 0.00 C ATOM 938 C LYS A 62 -9.825 9.412 -2.385 1.00 0.00 C ATOM 939 O LYS A 62 -8.769 9.272 -3.002 1.00 0.00 O ATOM 940 CB LYS A 62 -11.936 9.582 -3.762 1.00 0.00 C ATOM 941 CG LYS A 62 -12.184 10.988 -3.235 1.00 0.00 C ATOM 942 CD LYS A 62 -11.075 11.947 -3.648 1.00 0.00 C ATOM 943 CE LYS A 62 -10.994 12.097 -5.160 1.00 0.00 C ATOM 944 NZ LYS A 62 -9.908 13.030 -5.569 1.00 0.00 N ATOM 0 H LYS A 62 -12.723 8.802 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.794 7.810 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.438 9.653 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.897 9.098 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.140 11.354 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.257 10.962 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.250 12.923 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.120 11.585 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.823 11.120 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.948 12.462 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.886 13.104 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.084 13.969 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.994 12.669 -5.229 1.00 0.00 H new ATOM 958 N ASP A 63 -9.931 10.166 -1.291 1.00 0.00 N ATOM 959 CA ASP A 63 -8.782 10.885 -0.750 1.00 0.00 C ATOM 960 C ASP A 63 -7.898 9.925 0.036 1.00 0.00 C ATOM 961 O ASP A 63 -6.701 10.157 0.207 1.00 0.00 O ATOM 962 CB ASP A 63 -9.228 12.031 0.165 1.00 0.00 C ATOM 963 CG ASP A 63 -10.157 13.011 -0.523 1.00 0.00 C ATOM 964 OD1 ASP A 63 -11.298 12.623 -0.841 1.00 0.00 O ATOM 965 OD2 ASP A 63 -9.742 14.169 -0.742 1.00 0.00 O ATOM 0 H ASP A 63 -10.796 10.293 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.222 11.307 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.729 11.616 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.348 12.564 0.525 1.00 0.00 H new ATOM 970 N LEU A 64 -8.508 8.844 0.513 1.00 0.00 N ATOM 971 CA LEU A 64 -7.799 7.835 1.288 1.00 0.00 C ATOM 972 C LEU A 64 -6.924 6.973 0.385 1.00 0.00 C ATOM 973 O LEU A 64 -5.893 6.460 0.814 1.00 0.00 O ATOM 974 CB LEU A 64 -8.797 6.950 2.040 1.00 0.00 C ATOM 975 CG LEU A 64 -8.175 5.972 3.039 1.00 0.00 C ATOM 976 CD1 LEU A 64 -7.418 6.722 4.124 1.00 0.00 C ATOM 977 CD2 LEU A 64 -9.247 5.083 3.651 1.00 0.00 C ATOM 0 H LEU A 64 -9.499 8.645 0.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.158 8.346 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.498 7.592 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.375 6.382 1.312 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.467 5.339 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.983 6.008 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.624 7.315 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.104 7.381 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.787 4.394 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.980 5.701 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.743 4.516 2.863 1.00 0.00 H new ATOM 989 N MET A 65 -7.349 6.812 -0.865 1.00 0.00 N ATOM 990 CA MET A 65 -6.610 6.005 -1.829 1.00 0.00 C ATOM 991 C MET A 65 -5.475 6.810 -2.459 1.00 0.00 C ATOM 992 O MET A 65 -4.353 6.320 -2.585 1.00 0.00 O ATOM 993 CB MET A 65 -7.563 5.485 -2.914 1.00 0.00 C ATOM 994 CG MET A 65 -6.935 4.486 -3.879 1.00 0.00 C ATOM 995 SD MET A 65 -5.770 5.243 -5.030 1.00 0.00 S ATOM 996 CE MET A 65 -6.835 6.406 -5.880 1.00 0.00 C ATOM 0 H MET A 65 -8.203 7.231 -1.234 1.00 0.00 H new ATOM 0 HA MET A 65 -6.170 5.157 -1.305 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.421 5.016 -2.432 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.942 6.333 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.421 3.713 -3.308 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.725 3.992 -4.445 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.807 6.209 -6.952 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.857 6.296 -5.517 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.490 7.422 -5.689 1.00 0.00 H new ATOM 1006 N ASP A 66 -5.775 8.042 -2.858 1.00 0.00 N ATOM 1007 CA ASP A 66 -4.779 8.908 -3.484 1.00 0.00 C ATOM 1008 C ASP A 66 -3.636 9.227 -2.522 1.00 0.00 C ATOM 1009 O ASP A 66 -2.465 9.049 -2.856 1.00 0.00 O ATOM 1010 CB ASP A 66 -5.434 10.207 -3.961 1.00 0.00 C ATOM 1011 CG ASP A 66 -4.472 11.105 -4.717 1.00 0.00 C ATOM 1012 OD1 ASP A 66 -3.306 10.701 -4.912 1.00 0.00 O ATOM 1013 OD2 ASP A 66 -4.887 12.212 -5.119 1.00 0.00 O ATOM 0 H ASP A 66 -6.698 8.464 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.365 8.376 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.281 9.967 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.829 10.747 -3.101 1.00 0.00 H new ATOM 1018 N ALA A 67 -3.983 9.709 -1.333 1.00 0.00 N ATOM 1019 CA ALA A 67 -2.985 10.065 -0.328 1.00 0.00 C ATOM 1020 C ALA A 67 -2.265 8.835 0.218 1.00 0.00 C ATOM 1021 O ALA A 67 -1.302 8.957 0.975 1.00 0.00 O ATOM 1022 CB ALA A 67 -3.639 10.840 0.806 1.00 0.00 C ATOM 0 H ALA A 67 -4.948 9.862 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.238 10.694 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.886 11.101 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.090 11.751 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.410 10.225 1.270 1.00 0.00 H new ATOM 1028 N ALA A 68 -2.736 7.651 -0.163 1.00 0.00 N ATOM 1029 CA ALA A 68 -2.132 6.406 0.300 1.00 0.00 C ATOM 1030 C ALA A 68 -1.107 5.878 -0.698 1.00 0.00 C ATOM 1031 O ALA A 68 0.013 5.527 -0.325 1.00 0.00 O ATOM 1032 CB ALA A 68 -3.206 5.360 0.550 1.00 0.00 C ATOM 0 H ALA A 68 -3.532 7.528 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.613 6.616 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.741 4.436 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.898 5.724 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.750 5.169 -0.375 1.00 0.00 H new ATOM 1038 N ASP A 69 -1.498 5.822 -1.965 1.00 0.00 N ATOM 1039 CA ASP A 69 -0.617 5.335 -3.018 1.00 0.00 C ATOM 1040 C ASP A 69 0.112 6.488 -3.692 1.00 0.00 C ATOM 1041 O ASP A 69 -0.508 7.376 -4.279 1.00 0.00 O ATOM 1042 CB ASP A 69 -1.412 4.535 -4.051 1.00 0.00 C ATOM 1043 CG ASP A 69 -0.560 4.102 -5.228 1.00 0.00 C ATOM 1044 OD1 ASP A 69 0.432 3.376 -5.008 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -0.885 4.490 -6.370 1.00 0.00 O ATOM 0 H ASP A 69 -2.422 6.109 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 69 0.126 4.680 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.841 3.654 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.245 5.139 -4.412 1.00 0.00 H new ATOM 1050 N ILE A 70 1.433 6.464 -3.600 1.00 0.00 N ATOM 1051 CA ILE A 70 2.265 7.498 -4.195 1.00 0.00 C ATOM 1052 C ILE A 70 2.510 7.204 -5.669 1.00 0.00 C ATOM 1053 O ILE A 70 2.856 8.094 -6.445 1.00 0.00 O ATOM 1054 CB ILE A 70 3.612 7.612 -3.455 1.00 0.00 C ATOM 1055 CG1 ILE A 70 4.429 8.789 -3.997 1.00 0.00 C ATOM 1056 CG2 ILE A 70 4.392 6.310 -3.578 1.00 0.00 C ATOM 1057 CD1 ILE A 70 5.740 9.004 -3.272 1.00 0.00 C ATOM 0 H ILE A 70 1.955 5.734 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 70 1.736 8.447 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 70 3.414 7.797 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.632 8.622 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.831 9.698 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.342 6.404 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.813 5.496 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.580 6.097 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.263 9.854 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.545 9.203 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.358 8.111 -3.364 1.00 0.00 H new ATOM 1069 N ASP A 71 2.316 5.944 -6.047 1.00 0.00 N ATOM 1070 CA ASP A 71 2.505 5.521 -7.429 1.00 0.00 C ATOM 1071 C ASP A 71 1.494 6.214 -8.338 1.00 0.00 C ATOM 1072 O ASP A 71 1.628 6.195 -9.561 1.00 0.00 O ATOM 1073 CB ASP A 71 2.352 4.001 -7.539 1.00 0.00 C ATOM 1074 CG ASP A 71 2.706 3.468 -8.916 1.00 0.00 C ATOM 1075 OD1 ASP A 71 3.194 4.254 -9.755 1.00 0.00 O ATOM 1076 OD2 ASP A 71 2.508 2.257 -9.151 1.00 0.00 O ATOM 0 H ASP A 71 2.028 5.198 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 71 3.510 5.800 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.989 3.522 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.324 3.727 -7.302 1.00 0.00 H new ATOM 1081 N LYS A 72 0.486 6.834 -7.725 1.00 0.00 N ATOM 1082 CA LYS A 72 -0.552 7.540 -8.465 1.00 0.00 C ATOM 1083 C LYS A 72 -1.066 6.693 -9.625 1.00 0.00 C ATOM 1084 O LYS A 72 -1.521 7.219 -10.641 1.00 0.00 O ATOM 1085 CB LYS A 72 -0.003 8.869 -8.973 1.00 0.00 C ATOM 1086 CG LYS A 72 0.538 9.750 -7.861 1.00 0.00 C ATOM 1087 CD LYS A 72 -0.578 10.298 -6.985 1.00 0.00 C ATOM 1088 CE LYS A 72 -0.031 11.154 -5.854 1.00 0.00 C ATOM 1089 NZ LYS A 72 0.872 10.380 -4.958 1.00 0.00 N ATOM 0 H LYS A 72 0.369 6.860 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.391 7.732 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.790 8.676 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.792 9.404 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.234 9.177 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.101 10.577 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.261 10.891 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.155 9.472 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.511 12.003 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.859 11.559 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.993 10.892 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.457 9.445 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.798 10.261 -5.417 1.00 0.00 H new ATOM 1103 N SER A 73 -0.983 5.376 -9.462 1.00 0.00 N ATOM 1104 CA SER A 73 -1.433 4.446 -10.494 1.00 0.00 C ATOM 1105 C SER A 73 -2.871 4.007 -10.246 1.00 0.00 C ATOM 1106 O SER A 73 -3.438 3.239 -11.024 1.00 0.00 O ATOM 1107 CB SER A 73 -0.516 3.223 -10.542 1.00 0.00 C ATOM 1108 OG SER A 73 -0.519 2.534 -9.304 1.00 0.00 O ATOM 0 H SER A 73 -0.608 4.928 -8.626 1.00 0.00 H new ATOM 0 HA SER A 73 -1.392 4.962 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.842 2.551 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.500 3.535 -10.785 1.00 0.00 H new ATOM 0 HG SER A 73 -1.119 1.761 -9.361 1.00 0.00 H new ATOM 1114 N GLY A 74 -3.457 4.496 -9.158 1.00 0.00 N ATOM 1115 CA GLY A 74 -4.824 4.140 -8.831 1.00 0.00 C ATOM 1116 C GLY A 74 -4.907 2.903 -7.959 1.00 0.00 C ATOM 1117 O GLY A 74 -5.941 2.636 -7.347 1.00 0.00 O ATOM 0 H GLY A 74 -3.010 5.132 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.301 4.975 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.382 3.970 -9.752 1.00 0.00 H new ATOM 1121 N THR A 75 -3.814 2.148 -7.900 1.00 0.00 N ATOM 1122 CA THR A 75 -3.768 0.934 -7.094 1.00 0.00 C ATOM 1123 C THR A 75 -2.841 1.113 -5.898 1.00 0.00 C ATOM 1124 O THR A 75 -1.688 1.514 -6.048 1.00 0.00 O ATOM 1125 CB THR A 75 -3.297 -0.249 -7.942 1.00 0.00 C ATOM 1126 OG1 THR A 75 -2.009 0.000 -8.476 1.00 0.00 O ATOM 1127 CG2 THR A 75 -4.221 -0.564 -9.097 1.00 0.00 C ATOM 0 H THR A 75 -2.950 2.356 -8.400 1.00 0.00 H new ATOM 0 HA THR A 75 -4.775 0.733 -6.727 1.00 0.00 H new ATOM 0 HB THR A 75 -3.286 -1.104 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.471 0.487 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.828 -1.413 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.212 -0.809 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.291 0.303 -9.754 1.00 0.00 H new ATOM 1135 N ILE A 76 -3.356 0.815 -4.710 1.00 0.00 N ATOM 1136 CA ILE A 76 -2.580 0.945 -3.485 1.00 0.00 C ATOM 1137 C ILE A 76 -2.003 -0.397 -3.044 1.00 0.00 C ATOM 1138 O ILE A 76 -2.664 -1.437 -3.137 1.00 0.00 O ATOM 1139 CB ILE A 76 -3.436 1.528 -2.340 1.00 0.00 C ATOM 1140 CG1 ILE A 76 -2.616 1.632 -1.049 1.00 0.00 C ATOM 1141 CG2 ILE A 76 -4.673 0.673 -2.115 1.00 0.00 C ATOM 1142 CD1 ILE A 76 -1.419 2.551 -1.161 1.00 0.00 C ATOM 0 H ILE A 76 -4.310 0.481 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.760 1.629 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.753 2.531 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.262 1.988 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.274 0.637 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.266 1.097 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.269 0.649 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.372 -0.341 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.888 2.574 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.751 2.185 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.755 3.557 -1.414 1.00 0.00 H new ATOM 1154 N ASP A 77 -0.766 -0.358 -2.557 1.00 0.00 N ATOM 1155 CA ASP A 77 -0.084 -1.557 -2.085 1.00 0.00 C ATOM 1156 C ASP A 77 0.472 -1.337 -0.680 1.00 0.00 C ATOM 1157 O ASP A 77 0.768 -0.207 -0.294 1.00 0.00 O ATOM 1158 CB ASP A 77 1.045 -1.939 -3.044 1.00 0.00 C ATOM 1159 CG ASP A 77 0.541 -2.237 -4.442 1.00 0.00 C ATOM 1160 OD1 ASP A 77 -0.275 -3.171 -4.593 1.00 0.00 O ATOM 1161 OD2 ASP A 77 0.960 -1.535 -5.386 1.00 0.00 O ATOM 0 H ASP A 77 -0.214 0.496 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.806 -2.373 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.771 -1.127 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.568 -2.813 -2.655 1.00 0.00 H new ATOM 1166 N TYR A 78 0.607 -2.419 0.080 1.00 0.00 N ATOM 1167 CA TYR A 78 1.126 -2.336 1.449 1.00 0.00 C ATOM 1168 C TYR A 78 2.542 -1.764 1.484 1.00 0.00 C ATOM 1169 O TYR A 78 3.039 -1.389 2.546 1.00 0.00 O ATOM 1170 CB TYR A 78 1.106 -3.712 2.124 1.00 0.00 C ATOM 1171 CG TYR A 78 -0.228 -4.085 2.738 1.00 0.00 C ATOM 1172 CD1 TYR A 78 -1.426 -3.604 2.219 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -0.284 -4.916 3.849 1.00 0.00 C ATOM 1174 CE1 TYR A 78 -2.639 -3.944 2.791 1.00 0.00 C ATOM 1175 CE2 TYR A 78 -1.491 -5.260 4.425 1.00 0.00 C ATOM 1176 CZ TYR A 78 -2.665 -4.772 3.893 1.00 0.00 C ATOM 1177 OH TYR A 78 -3.870 -5.112 4.465 1.00 0.00 O ATOM 0 H TYR A 78 0.366 -3.363 -0.224 1.00 0.00 H new ATOM 0 HA TYR A 78 0.472 -1.659 1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.379 -4.469 1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.870 -3.734 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.409 -2.955 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.633 -5.300 4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.561 -3.563 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.515 -5.908 5.288 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.512 -4.384 4.333 1.00 0.00 H new ATOM 1187 N GLY A 79 3.190 -1.704 0.326 1.00 0.00 N ATOM 1188 CA GLY A 79 4.544 -1.180 0.263 1.00 0.00 C ATOM 1189 C GLY A 79 4.588 0.323 0.063 1.00 0.00 C ATOM 1190 O GLY A 79 5.409 1.012 0.670 1.00 0.00 O ATOM 0 H GLY A 79 2.804 -2.007 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.069 -1.434 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.078 -1.666 -0.554 1.00 0.00 H new ATOM 1194 N GLU A 80 3.710 0.830 -0.794 1.00 0.00 N ATOM 1195 CA GLU A 80 3.657 2.258 -1.082 1.00 0.00 C ATOM 1196 C GLU A 80 2.740 2.981 -0.100 1.00 0.00 C ATOM 1197 O GLU A 80 2.847 4.193 0.089 1.00 0.00 O ATOM 1198 CB GLU A 80 3.184 2.481 -2.518 1.00 0.00 C ATOM 1199 CG GLU A 80 4.058 1.782 -3.547 1.00 0.00 C ATOM 1200 CD GLU A 80 3.590 2.013 -4.969 1.00 0.00 C ATOM 1201 OE1 GLU A 80 2.439 1.644 -5.283 1.00 0.00 O ATOM 1202 OE2 GLU A 80 4.378 2.558 -5.770 1.00 0.00 O ATOM 0 H GLU A 80 3.024 0.272 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 80 4.660 2.671 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.159 2.123 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.170 3.550 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.084 2.135 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.067 0.712 -3.342 1.00 0.00 H new ATOM 1209 N PHE A 81 1.845 2.226 0.526 1.00 0.00 N ATOM 1210 CA PHE A 81 0.910 2.783 1.497 1.00 0.00 C ATOM 1211 C PHE A 81 1.658 3.410 2.670 1.00 0.00 C ATOM 1212 O PHE A 81 1.471 4.586 2.983 1.00 0.00 O ATOM 1213 CB PHE A 81 -0.036 1.689 2.003 1.00 0.00 C ATOM 1214 CG PHE A 81 -1.028 2.163 3.029 1.00 0.00 C ATOM 1215 CD1 PHE A 81 -1.773 3.311 2.817 1.00 0.00 C ATOM 1216 CD2 PHE A 81 -1.216 1.454 4.204 1.00 0.00 C ATOM 1217 CE1 PHE A 81 -2.688 3.745 3.758 1.00 0.00 C ATOM 1218 CE2 PHE A 81 -2.129 1.882 5.149 1.00 0.00 C ATOM 1219 CZ PHE A 81 -2.866 3.029 4.926 1.00 0.00 C ATOM 0 H PHE A 81 1.747 1.222 0.378 1.00 0.00 H new ATOM 0 HA PHE A 81 0.326 3.561 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.578 1.271 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.556 0.881 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.638 3.874 1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.643 0.557 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.263 4.642 3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.266 1.320 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.580 3.365 5.663 1.00 0.00 H new ATOM 1229 N ILE A 82 2.505 2.613 3.315 1.00 0.00 N ATOM 1230 CA ILE A 82 3.284 3.080 4.455 1.00 0.00 C ATOM 1231 C ILE A 82 4.446 3.960 3.999 1.00 0.00 C ATOM 1232 O ILE A 82 4.999 4.732 4.783 1.00 0.00 O ATOM 1233 CB ILE A 82 3.831 1.894 5.279 1.00 0.00 C ATOM 1234 CG1 ILE A 82 4.576 2.390 6.522 1.00 0.00 C ATOM 1235 CG2 ILE A 82 4.743 1.029 4.421 1.00 0.00 C ATOM 1236 CD1 ILE A 82 3.698 3.154 7.491 1.00 0.00 C ATOM 0 H ILE A 82 2.669 1.638 3.066 1.00 0.00 H new ATOM 0 HA ILE A 82 2.616 3.669 5.084 1.00 0.00 H new ATOM 0 HB ILE A 82 2.986 1.289 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.014 1.535 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.401 3.031 6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.121 0.197 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.182 0.642 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.580 1.628 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.293 3.474 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.280 4.028 6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.888 2.510 7.833 1.00 0.00 H new