USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= -13! C(o=-13!,f=-20!) USER MOD Single : A 29 THR OG1 : rot -23:sc= 0.841 USER MOD Single : A 31 CYS SG : rot 158:sc= -6.15! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.0636 (180deg=-0.0636) USER MOD Single : A 60 THR OG1 : rot 33:sc= 0.0446 USER MOD Single : A 75 THR OG1 : rot -140:sc= -3.47! USER MOD Single : A 77 GLN : amide:sc= -7.51! C(o=-7.5!,f=-7.7!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 88 THR OG1 : rot -150:sc= -2.32! USER MOD Single : A 90 MET CE :methyl -127:sc= -14.1! (180deg=-20!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 100 ASN : amide:sc= -4.42! C(o=-4.4!,f=-3.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -2.992 -9.289 -13.569 1.00 0.00 N ATOM 350 CA THR A 29 -3.252 -7.823 -13.631 1.00 0.00 C ATOM 351 C THR A 29 -2.273 -7.096 -12.710 1.00 0.00 C ATOM 352 O THR A 29 -1.962 -7.558 -11.630 1.00 0.00 O ATOM 353 CB THR A 29 -4.686 -7.534 -13.181 1.00 0.00 C ATOM 354 OG1 THR A 29 -4.988 -8.317 -12.035 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.657 -7.882 -14.311 1.00 0.00 C ATOM 0 HA THR A 29 -3.119 -7.475 -14.655 1.00 0.00 H new ATOM 0 HB THR A 29 -4.784 -6.477 -12.934 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.397 -9.098 -12.007 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.678 -7.676 -13.990 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.424 -7.280 -15.189 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.561 -8.939 -14.560 1.00 0.00 H new ATOM 363 N VAL A 30 -1.781 -5.962 -13.127 1.00 0.00 N ATOM 364 CA VAL A 30 -0.821 -5.211 -12.271 1.00 0.00 C ATOM 365 C VAL A 30 -1.352 -3.802 -12.019 1.00 0.00 C ATOM 366 O VAL A 30 -1.987 -3.201 -12.862 1.00 0.00 O ATOM 367 CB VAL A 30 0.537 -5.117 -12.977 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.395 -4.027 -12.325 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.263 -6.458 -12.867 1.00 0.00 C ATOM 0 H VAL A 30 -2.002 -5.524 -14.021 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.705 -5.735 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 30 0.374 -4.868 -14.026 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.357 -3.968 -12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.884 -3.067 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.554 -4.269 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.228 -6.391 -13.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.416 -6.704 -11.816 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.662 -7.237 -13.338 1.00 0.00 H new ATOM 379 N CYS A 31 -1.071 -3.267 -10.869 1.00 0.00 N ATOM 380 CA CYS A 31 -1.528 -1.884 -10.553 1.00 0.00 C ATOM 381 C CYS A 31 -0.390 -1.145 -9.849 1.00 0.00 C ATOM 382 O CYS A 31 -0.300 -1.127 -8.637 1.00 0.00 O ATOM 383 CB CYS A 31 -2.763 -1.920 -9.645 1.00 0.00 C ATOM 384 SG CYS A 31 -3.767 -3.378 -10.026 1.00 0.00 S ATOM 0 H CYS A 31 -0.542 -3.728 -10.128 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.798 -1.370 -11.476 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.456 -1.943 -8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.354 -1.015 -9.784 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.516 -3.668 -9.004 1.00 0.00 H new ATOM 390 N THR A 32 0.486 -0.543 -10.605 1.00 0.00 N ATOM 391 CA THR A 32 1.629 0.190 -9.995 1.00 0.00 C ATOM 392 C THR A 32 1.105 1.441 -9.282 1.00 0.00 C ATOM 393 O THR A 32 0.426 2.260 -9.866 1.00 0.00 O ATOM 394 CB THR A 32 2.611 0.586 -11.099 1.00 0.00 C ATOM 395 OG1 THR A 32 2.545 -0.370 -12.148 1.00 0.00 O ATOM 396 CG2 THR A 32 4.032 0.621 -10.535 1.00 0.00 C ATOM 0 H THR A 32 0.458 -0.528 -11.625 1.00 0.00 H new ATOM 0 HA THR A 32 2.138 -0.445 -9.270 1.00 0.00 H new ATOM 0 HB THR A 32 2.350 1.573 -11.481 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.171 -0.119 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.730 0.903 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.085 1.350 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.296 -0.365 -10.153 1.00 0.00 H new ATOM 404 N VAL A 33 1.397 1.581 -8.016 1.00 0.00 N ATOM 405 CA VAL A 33 0.892 2.766 -7.259 1.00 0.00 C ATOM 406 C VAL A 33 1.992 3.347 -6.361 1.00 0.00 C ATOM 407 O VAL A 33 2.939 2.677 -6.011 1.00 0.00 O ATOM 408 CB VAL A 33 -0.283 2.346 -6.364 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.575 2.959 -6.897 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.426 0.818 -6.332 1.00 0.00 C ATOM 0 H VAL A 33 1.962 0.928 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 33 0.575 3.518 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.089 2.702 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.409 2.661 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.489 4.046 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.751 2.609 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.265 0.544 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.604 0.448 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.489 0.375 -5.940 1.00 0.00 H new ATOM 420 N THR A 34 1.853 4.588 -5.962 1.00 0.00 N ATOM 421 CA THR A 34 2.860 5.210 -5.061 1.00 0.00 C ATOM 422 C THR A 34 2.198 5.569 -3.731 1.00 0.00 C ATOM 423 O THR A 34 1.141 6.168 -3.700 1.00 0.00 O ATOM 424 CB THR A 34 3.416 6.487 -5.689 1.00 0.00 C ATOM 425 OG1 THR A 34 2.454 7.048 -6.568 1.00 0.00 O ATOM 426 CG2 THR A 34 4.718 6.191 -6.434 1.00 0.00 C ATOM 0 H THR A 34 1.078 5.197 -6.226 1.00 0.00 H new ATOM 0 HA THR A 34 3.672 4.500 -4.902 1.00 0.00 H new ATOM 0 HB THR A 34 3.632 7.207 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.814 7.867 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.102 7.111 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.453 5.789 -5.737 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.529 5.462 -7.222 1.00 0.00 H new ATOM 434 N LEU A 35 2.802 5.213 -2.631 1.00 0.00 N ATOM 435 CA LEU A 35 2.176 5.551 -1.313 1.00 0.00 C ATOM 436 C LEU A 35 2.982 6.617 -0.580 1.00 0.00 C ATOM 437 O LEU A 35 3.555 6.366 0.458 1.00 0.00 O ATOM 438 CB LEU A 35 2.110 4.319 -0.448 1.00 0.00 C ATOM 439 CG LEU A 35 0.783 3.608 -0.692 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.784 2.271 0.039 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.362 4.479 -0.164 1.00 0.00 C ATOM 0 H LEU A 35 3.688 4.710 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 35 1.174 5.933 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.941 3.653 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.202 4.592 0.603 1.00 0.00 H new ATOM 0 HG LEU A 35 0.649 3.437 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.164 1.761 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.602 1.654 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.915 2.441 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.313 3.974 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.229 4.646 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.360 5.437 -0.684 1.00 0.00 H new ATOM 453 N GLU A 36 3.004 7.796 -1.121 1.00 0.00 N ATOM 454 CA GLU A 36 3.760 8.939 -0.508 1.00 0.00 C ATOM 455 C GLU A 36 4.000 8.705 0.988 1.00 0.00 C ATOM 456 O GLU A 36 3.134 8.935 1.808 1.00 0.00 O ATOM 457 CB GLU A 36 2.964 10.232 -0.698 1.00 0.00 C ATOM 458 CG GLU A 36 1.507 10.003 -0.289 1.00 0.00 C ATOM 459 CD GLU A 36 0.765 11.341 -0.281 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.364 12.333 -0.665 1.00 0.00 O ATOM 461 OE2 GLU A 36 -0.392 11.352 0.108 1.00 0.00 O ATOM 0 H GLU A 36 2.519 8.031 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 36 4.728 9.016 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.400 11.031 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.014 10.552 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.027 9.313 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.463 9.544 0.699 1.00 0.00 H new ATOM 468 N LYS A 37 5.174 8.250 1.348 1.00 0.00 N ATOM 469 CA LYS A 37 5.460 8.005 2.797 1.00 0.00 C ATOM 470 C LYS A 37 5.998 9.294 3.424 1.00 0.00 C ATOM 471 O LYS A 37 7.120 9.694 3.182 1.00 0.00 O ATOM 472 CB LYS A 37 6.489 6.867 2.966 1.00 0.00 C ATOM 473 CG LYS A 37 7.133 6.945 4.354 1.00 0.00 C ATOM 474 CD LYS A 37 7.121 5.559 5.000 1.00 0.00 C ATOM 475 CE LYS A 37 7.741 5.640 6.395 1.00 0.00 C ATOM 476 NZ LYS A 37 9.170 5.218 6.331 1.00 0.00 N ATOM 0 H LYS A 37 5.941 8.039 0.709 1.00 0.00 H new ATOM 0 HA LYS A 37 4.539 7.706 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.000 5.901 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.256 6.942 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.156 7.311 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.590 7.654 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.099 5.186 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.678 4.854 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.668 6.658 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.193 5.000 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.591 5.273 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.228 4.240 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.689 5.846 5.685 1.00 0.00 H new ATOM 528 N GLY A 41 4.957 4.504 6.915 1.00 0.00 N ATOM 529 CA GLY A 41 5.455 3.270 6.241 1.00 0.00 C ATOM 530 C GLY A 41 4.421 2.804 5.215 1.00 0.00 C ATOM 531 O GLY A 41 3.849 1.739 5.335 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.408 3.469 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.633 2.486 6.977 1.00 0.00 H new ATOM 535 N LEU A 42 4.173 3.597 4.206 1.00 0.00 N ATOM 536 CA LEU A 42 3.171 3.208 3.161 1.00 0.00 C ATOM 537 C LEU A 42 1.837 2.822 3.799 1.00 0.00 C ATOM 538 O LEU A 42 0.964 2.292 3.140 1.00 0.00 O ATOM 539 CB LEU A 42 3.682 2.016 2.346 1.00 0.00 C ATOM 540 CG LEU A 42 5.186 1.841 2.540 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.692 0.768 1.580 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.901 3.162 2.249 1.00 0.00 C ATOM 0 H LEU A 42 4.621 4.501 4.057 1.00 0.00 H new ATOM 0 HA LEU A 42 3.027 4.070 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.162 1.109 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.461 2.169 1.290 1.00 0.00 H new ATOM 0 HG LEU A 42 5.389 1.542 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.766 0.638 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.184 -0.174 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.488 1.073 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.974 3.033 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.702 3.464 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.536 3.931 2.930 1.00 0.00 H new ATOM 554 N GLY A 43 1.660 3.071 5.064 1.00 0.00 N ATOM 555 CA GLY A 43 0.378 2.703 5.712 1.00 0.00 C ATOM 556 C GLY A 43 0.104 1.209 5.509 1.00 0.00 C ATOM 557 O GLY A 43 -0.981 0.738 5.778 1.00 0.00 O ATOM 0 H GLY A 43 2.347 3.513 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.419 2.933 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.436 3.292 5.289 1.00 0.00 H new ATOM 561 N PHE A 44 1.067 0.448 5.046 1.00 0.00 N ATOM 562 CA PHE A 44 0.813 -0.995 4.855 1.00 0.00 C ATOM 563 C PHE A 44 2.062 -1.795 5.232 1.00 0.00 C ATOM 564 O PHE A 44 3.165 -1.289 5.275 1.00 0.00 O ATOM 565 CB PHE A 44 0.395 -1.267 3.402 1.00 0.00 C ATOM 566 CG PHE A 44 1.592 -1.320 2.483 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.504 -2.376 2.574 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.774 -0.325 1.518 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.587 -2.439 1.703 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.865 -0.386 0.649 1.00 0.00 C ATOM 571 CZ PHE A 44 3.769 -1.442 0.741 1.00 0.00 C ATOM 0 H PHE A 44 2.003 0.768 4.798 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.003 -1.311 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.148 -2.211 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.288 -0.487 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.368 -3.144 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.070 0.491 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.287 -3.259 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.008 0.385 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.612 -1.490 0.068 1.00 0.00 H new ATOM 581 N SER A 45 1.866 -3.044 5.511 1.00 0.00 N ATOM 582 CA SER A 45 2.993 -3.952 5.908 1.00 0.00 C ATOM 583 C SER A 45 2.975 -5.192 5.009 1.00 0.00 C ATOM 584 O SER A 45 1.926 -5.651 4.593 1.00 0.00 O ATOM 585 CB SER A 45 2.810 -4.381 7.366 1.00 0.00 C ATOM 586 OG SER A 45 3.602 -5.534 7.616 1.00 0.00 O ATOM 0 H SER A 45 0.952 -3.496 5.483 1.00 0.00 H new ATOM 0 HA SER A 45 3.944 -3.430 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.103 -3.572 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.760 -4.596 7.565 1.00 0.00 H new ATOM 0 HG SER A 45 3.490 -5.812 8.549 1.00 0.00 H new ATOM 592 N LEU A 46 4.126 -5.728 4.698 1.00 0.00 N ATOM 593 CA LEU A 46 4.184 -6.928 3.800 1.00 0.00 C ATOM 594 C LEU A 46 4.297 -8.226 4.602 1.00 0.00 C ATOM 595 O LEU A 46 5.030 -8.304 5.569 1.00 0.00 O ATOM 596 CB LEU A 46 5.416 -6.818 2.897 1.00 0.00 C ATOM 597 CG LEU A 46 4.998 -6.484 1.463 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.850 -5.474 1.474 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.197 -5.884 0.726 1.00 0.00 C ATOM 0 H LEU A 46 5.031 -5.389 5.025 1.00 0.00 H new ATOM 0 HA LEU A 46 3.264 -6.954 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.085 -6.046 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.971 -7.756 2.912 1.00 0.00 H new ATOM 0 HG LEU A 46 4.665 -7.392 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.559 -5.242 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.998 -5.897 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.173 -4.561 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.911 -5.642 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.521 -4.977 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.014 -6.605 0.713 1.00 0.00 H new ATOM 611 N GLU A 47 3.603 -9.263 4.190 1.00 0.00 N ATOM 612 CA GLU A 47 3.720 -10.562 4.925 1.00 0.00 C ATOM 613 C GLU A 47 3.922 -11.709 3.933 1.00 0.00 C ATOM 614 O GLU A 47 3.542 -11.625 2.781 1.00 0.00 O ATOM 615 CB GLU A 47 2.461 -10.848 5.735 1.00 0.00 C ATOM 616 CG GLU A 47 2.607 -10.263 7.141 1.00 0.00 C ATOM 617 CD GLU A 47 3.448 -11.205 8.004 1.00 0.00 C ATOM 618 OE1 GLU A 47 4.281 -11.900 7.447 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.243 -11.215 9.207 1.00 0.00 O ATOM 0 H GLU A 47 2.971 -9.266 3.390 1.00 0.00 H new ATOM 0 HA GLU A 47 4.574 -10.485 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.592 -10.415 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.292 -11.923 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.079 -9.282 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.624 -10.122 7.591 1.00 0.00 H new ATOM 771 N LEU A 59 5.838 -12.012 -1.119 1.00 0.00 N ATOM 772 CA LEU A 59 5.659 -10.888 -0.152 1.00 0.00 C ATOM 773 C LEU A 59 4.361 -10.164 -0.498 1.00 0.00 C ATOM 774 O LEU A 59 4.231 -9.579 -1.555 1.00 0.00 O ATOM 775 CB LEU A 59 6.834 -9.920 -0.262 1.00 0.00 C ATOM 776 CG LEU A 59 7.819 -10.180 0.876 1.00 0.00 C ATOM 777 CD1 LEU A 59 9.206 -10.472 0.300 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.891 -8.938 1.765 1.00 0.00 C ATOM 0 HA LEU A 59 5.617 -11.272 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.332 -10.044 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.476 -8.891 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 59 7.485 -11.037 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.907 -10.657 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.156 -11.351 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.545 -9.616 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.592 -9.115 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.229 -8.087 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.903 -8.726 2.175 1.00 0.00 H new ATOM 790 N THR A 60 3.382 -10.239 0.357 1.00 0.00 N ATOM 791 CA THR A 60 2.082 -9.596 0.029 1.00 0.00 C ATOM 792 C THR A 60 1.643 -8.633 1.154 1.00 0.00 C ATOM 793 O THR A 60 2.064 -8.772 2.285 1.00 0.00 O ATOM 794 CB THR A 60 1.061 -10.715 -0.134 1.00 0.00 C ATOM 795 OG1 THR A 60 1.267 -11.678 0.889 1.00 0.00 O ATOM 796 CG2 THR A 60 1.282 -11.346 -1.499 1.00 0.00 C ATOM 0 H THR A 60 3.424 -10.712 1.260 1.00 0.00 H new ATOM 0 HA THR A 60 2.169 -9.007 -0.884 1.00 0.00 H new ATOM 0 HB THR A 60 0.042 -10.334 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.581 -11.230 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.565 -12.153 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.146 -10.592 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.295 -11.746 -1.556 1.00 0.00 H new ATOM 804 N ILE A 61 0.799 -7.654 0.869 1.00 0.00 N ATOM 805 CA ILE A 61 0.361 -6.719 1.941 1.00 0.00 C ATOM 806 C ILE A 61 -0.695 -7.375 2.823 1.00 0.00 C ATOM 807 O ILE A 61 -1.709 -7.860 2.364 1.00 0.00 O ATOM 808 CB ILE A 61 -0.242 -5.473 1.319 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.855 -4.618 0.691 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.931 -4.657 2.401 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.239 -3.328 0.133 1.00 0.00 C ATOM 0 H ILE A 61 0.405 -7.474 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 61 1.231 -6.459 2.544 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.958 -5.771 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.615 -4.379 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.351 -5.172 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.366 -3.761 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.719 -5.254 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.203 -4.371 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.021 -2.716 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.505 -3.578 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.237 -2.773 0.941 1.00 0.00 H new ATOM 823 N ASN A 62 -0.453 -7.363 4.091 1.00 0.00 N ATOM 824 CA ASN A 62 -1.431 -7.961 5.057 1.00 0.00 C ATOM 825 C ASN A 62 -2.048 -6.891 5.963 1.00 0.00 C ATOM 826 O ASN A 62 -3.253 -6.759 6.050 1.00 0.00 O ATOM 827 CB ASN A 62 -0.734 -8.981 5.946 1.00 0.00 C ATOM 828 CG ASN A 62 0.635 -8.443 6.362 1.00 0.00 C ATOM 829 OD1 ASN A 62 1.531 -8.334 5.550 1.00 0.00 O ATOM 830 ND2 ASN A 62 0.836 -8.099 7.606 1.00 0.00 N ATOM 0 H ASN A 62 0.384 -6.964 4.517 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.216 -8.435 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.340 -9.184 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.619 -9.925 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.746 -7.739 7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.083 -8.190 8.288 1.00 0.00 H new ATOM 837 N ARG A 63 -1.236 -6.154 6.661 1.00 0.00 N ATOM 838 CA ARG A 63 -1.780 -5.121 7.591 1.00 0.00 C ATOM 839 C ARG A 63 -1.799 -3.758 6.912 1.00 0.00 C ATOM 840 O ARG A 63 -0.825 -3.032 6.922 1.00 0.00 O ATOM 841 CB ARG A 63 -0.909 -5.048 8.849 1.00 0.00 C ATOM 842 CG ARG A 63 -1.628 -5.738 10.011 1.00 0.00 C ATOM 843 CD ARG A 63 -2.308 -4.685 10.886 1.00 0.00 C ATOM 844 NE ARG A 63 -2.943 -5.350 12.059 1.00 0.00 N ATOM 845 CZ ARG A 63 -3.919 -6.197 11.879 1.00 0.00 C ATOM 846 NH1 ARG A 63 -3.662 -7.412 11.478 1.00 0.00 N ATOM 847 NH2 ARG A 63 -5.151 -5.828 12.101 1.00 0.00 N ATOM 0 H ARG A 63 -0.219 -6.219 6.631 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.798 -5.398 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.052 -5.528 8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.703 -4.008 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.368 -6.442 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.916 -6.314 10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.578 -3.949 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.060 -4.147 10.308 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.615 -5.143 13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.699 -7.699 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.425 -8.075 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.350 -4.878 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.915 -6.489 11.961 1.00 0.00 H new ATOM 861 N ILE A 64 -2.905 -3.400 6.326 1.00 0.00 N ATOM 862 CA ILE A 64 -2.985 -2.080 5.653 1.00 0.00 C ATOM 863 C ILE A 64 -3.672 -1.071 6.553 1.00 0.00 C ATOM 864 O ILE A 64 -4.616 -1.372 7.256 1.00 0.00 O ATOM 865 CB ILE A 64 -3.758 -2.201 4.348 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.929 -3.070 3.412 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.971 -0.805 3.744 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.945 -2.523 1.984 1.00 0.00 C ATOM 0 H ILE A 64 -3.754 -3.964 6.285 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.971 -1.740 5.441 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.738 -2.649 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.902 -3.119 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.318 -4.088 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.525 -0.894 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.536 -0.188 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.004 -0.341 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.344 -3.166 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.970 -2.498 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.532 -1.514 1.976 1.00 0.00 H new ATOM 880 N PHE A 65 -3.198 0.132 6.517 1.00 0.00 N ATOM 881 CA PHE A 65 -3.809 1.202 7.350 1.00 0.00 C ATOM 882 C PHE A 65 -4.601 2.141 6.440 1.00 0.00 C ATOM 883 O PHE A 65 -4.494 2.081 5.231 1.00 0.00 O ATOM 884 CB PHE A 65 -2.709 1.989 8.068 1.00 0.00 C ATOM 885 CG PHE A 65 -1.645 1.026 8.578 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.985 -0.304 8.884 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.320 1.460 8.742 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.001 -1.193 9.352 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.661 0.567 9.210 1.00 0.00 C ATOM 890 CZ PHE A 65 0.317 -0.754 9.513 1.00 0.00 C ATOM 0 H PHE A 65 -2.408 0.428 5.944 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.471 0.759 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.262 2.714 7.387 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.133 2.552 8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.003 -0.643 8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.054 2.480 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.263 -2.214 9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.680 0.902 9.335 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.072 -1.438 9.873 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.611 4.467 -3.956 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.088 3.378 -3.084 1.00 0.00 C ATOM 1005 C GLU A 74 -5.756 2.878 -3.641 1.00 0.00 C ATOM 1006 O GLU A 74 -5.715 2.076 -4.553 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.090 2.225 -3.050 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.922 2.312 -1.770 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.308 2.868 -2.101 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.375 3.828 -2.852 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.278 2.325 -1.598 1.00 0.00 O ATOM 0 HA GLU A 74 -6.941 3.760 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.741 2.268 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.565 1.271 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.013 1.326 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.425 2.954 -1.043 1.00 0.00 H new ATOM 1018 N THR A 75 -4.666 3.348 -3.102 1.00 0.00 N ATOM 1019 CA THR A 75 -3.339 2.905 -3.602 1.00 0.00 C ATOM 1020 C THR A 75 -2.825 1.758 -2.738 1.00 0.00 C ATOM 1021 O THR A 75 -1.636 1.547 -2.603 1.00 0.00 O ATOM 1022 CB THR A 75 -2.362 4.078 -3.545 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.064 4.392 -2.189 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.000 5.287 -4.222 1.00 0.00 C ATOM 0 H THR A 75 -4.639 4.021 -2.336 1.00 0.00 H new ATOM 0 HA THR A 75 -3.430 2.561 -4.632 1.00 0.00 H new ATOM 0 HB THR A 75 -1.438 3.811 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.023 5.365 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.310 6.130 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.225 5.046 -5.261 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.922 5.550 -3.703 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.719 1.014 -2.159 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.299 -0.131 -1.304 1.00 0.00 C ATOM 1034 C VAL A 76 -4.194 -1.335 -1.589 1.00 0.00 C ATOM 1035 O VAL A 76 -5.390 -1.208 -1.768 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.423 0.247 0.172 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.155 0.972 0.624 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.636 1.157 0.365 1.00 0.00 C ATOM 0 H VAL A 76 -4.727 1.148 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.262 -0.380 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.551 -0.656 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.245 1.241 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.294 0.317 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.021 1.875 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.725 1.427 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.512 2.061 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.538 0.634 0.047 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.622 -2.504 -1.629 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.431 -3.725 -1.895 1.00 0.00 C ATOM 1050 C GLN A 77 -3.910 -4.864 -1.008 1.00 0.00 C ATOM 1051 O GLN A 77 -2.758 -5.237 -1.113 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.290 -4.118 -3.368 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.863 -3.839 -3.846 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.693 -2.341 -4.113 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -1.703 -1.753 -3.725 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -3.621 -1.694 -4.764 1.00 0.00 N ATOM 0 H GLN A 77 -2.625 -2.668 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.481 -3.533 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.526 -5.174 -3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.002 -3.557 -3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.146 -4.168 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.656 -4.406 -4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.453 -2.186 -5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.515 -0.696 -4.946 1.00 0.00 H new ATOM 1065 N PRO A 78 -4.760 -5.386 -0.154 1.00 0.00 N ATOM 1066 CA PRO A 78 -4.374 -6.476 0.756 1.00 0.00 C ATOM 1067 C PRO A 78 -4.318 -7.810 0.009 1.00 0.00 C ATOM 1068 O PRO A 78 -5.155 -8.107 -0.820 1.00 0.00 O ATOM 1069 CB PRO A 78 -5.488 -6.487 1.806 1.00 0.00 C ATOM 1070 CG PRO A 78 -6.712 -5.809 1.149 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.169 -4.954 -0.013 1.00 0.00 C ATOM 0 HA PRO A 78 -3.385 -6.333 1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.725 -7.506 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.181 -5.950 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.419 -6.554 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.245 -5.189 1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.732 -5.125 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.239 -3.889 0.209 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.342 -8.618 0.311 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.237 -9.953 -0.374 1.00 0.00 C ATOM 1081 C GLY A 79 -2.584 -9.817 -1.758 1.00 0.00 C ATOM 1082 O GLY A 79 -2.494 -10.780 -2.494 1.00 0.00 O ATOM 0 H GLY A 79 -2.613 -8.422 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.652 -10.636 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.230 -10.390 -0.479 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.129 -8.650 -2.139 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.501 -8.517 -3.485 1.00 0.00 C ATOM 1088 C ASP A 80 -0.034 -8.981 -3.418 1.00 0.00 C ATOM 1089 O ASP A 80 0.633 -8.786 -2.421 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.559 -7.054 -3.927 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.900 -6.784 -4.611 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -3.918 -7.114 -4.024 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -2.888 -6.257 -5.709 1.00 0.00 O ATOM 0 H ASP A 80 -2.165 -7.795 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.040 -9.135 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.439 -6.397 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.739 -6.836 -4.611 1.00 0.00 H new ATOM 1098 N GLU A 81 0.484 -9.586 -4.467 1.00 0.00 N ATOM 1099 CA GLU A 81 1.922 -10.044 -4.424 1.00 0.00 C ATOM 1100 C GLU A 81 2.839 -8.888 -4.867 1.00 0.00 C ATOM 1101 O GLU A 81 3.481 -8.960 -5.895 1.00 0.00 O ATOM 1102 CB GLU A 81 2.140 -11.239 -5.372 1.00 0.00 C ATOM 1103 CG GLU A 81 3.251 -12.131 -4.813 1.00 0.00 C ATOM 1104 CD GLU A 81 3.803 -13.019 -5.930 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.271 -12.960 -7.026 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.752 -13.741 -5.672 1.00 0.00 O ATOM 0 H GLU A 81 -0.013 -9.781 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 81 2.158 -10.349 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.217 -11.809 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.408 -10.884 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.049 -11.517 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.864 -12.747 -4.002 1.00 0.00 H new ATOM 1113 N ILE A 82 2.900 -7.822 -4.105 1.00 0.00 N ATOM 1114 CA ILE A 82 3.775 -6.659 -4.496 1.00 0.00 C ATOM 1115 C ILE A 82 5.242 -7.118 -4.634 1.00 0.00 C ATOM 1116 O ILE A 82 5.829 -7.620 -3.696 1.00 0.00 O ATOM 1117 CB ILE A 82 3.682 -5.582 -3.412 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.221 -5.430 -2.971 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.189 -4.252 -3.973 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.033 -4.099 -2.235 1.00 0.00 C ATOM 0 H ILE A 82 2.386 -7.702 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 82 3.438 -6.261 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 82 4.292 -5.870 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.564 -5.471 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.941 -6.258 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.124 -3.484 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.226 -4.362 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.579 -3.961 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.993 -3.998 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.677 -4.075 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.295 -3.276 -2.900 1.00 0.00 H new ATOM 1132 N LEU A 83 5.841 -6.958 -5.799 1.00 0.00 N ATOM 1133 CA LEU A 83 7.265 -7.396 -5.982 1.00 0.00 C ATOM 1134 C LEU A 83 8.249 -6.332 -5.459 1.00 0.00 C ATOM 1135 O LEU A 83 9.226 -6.656 -4.821 1.00 0.00 O ATOM 1136 CB LEU A 83 7.532 -7.638 -7.468 1.00 0.00 C ATOM 1137 CG LEU A 83 6.405 -8.486 -8.058 1.00 0.00 C ATOM 1138 CD1 LEU A 83 6.303 -8.224 -9.562 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.707 -9.967 -7.818 1.00 0.00 C ATOM 0 H LEU A 83 5.406 -6.545 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 83 7.416 -8.314 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.600 -6.687 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.489 -8.144 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 83 5.462 -8.223 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.500 -8.828 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.091 -7.169 -9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.245 -8.488 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.905 -10.574 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.650 -10.229 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.781 -10.154 -6.747 1.00 0.00 H new ATOM 1151 N GLN A 84 8.021 -5.069 -5.723 1.00 0.00 N ATOM 1152 CA GLN A 84 8.976 -4.028 -5.226 1.00 0.00 C ATOM 1153 C GLN A 84 8.230 -3.032 -4.344 1.00 0.00 C ATOM 1154 O GLN A 84 7.020 -2.931 -4.399 1.00 0.00 O ATOM 1155 CB GLN A 84 9.601 -3.286 -6.404 1.00 0.00 C ATOM 1156 CG GLN A 84 10.976 -3.882 -6.713 1.00 0.00 C ATOM 1157 CD GLN A 84 11.068 -4.211 -8.204 1.00 0.00 C ATOM 1158 OE1 GLN A 84 10.841 -3.360 -9.041 1.00 0.00 O ATOM 1159 NE2 GLN A 84 11.399 -5.418 -8.575 1.00 0.00 N ATOM 0 H GLN A 84 7.225 -4.716 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 84 9.763 -4.515 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.955 -3.362 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.697 -2.226 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.760 -3.177 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.135 -4.783 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.590 -6.133 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.467 -5.646 -9.567 1.00 0.00 H new ATOM 1168 N LEU A 85 8.929 -2.300 -3.519 1.00 0.00 N ATOM 1169 CA LEU A 85 8.228 -1.332 -2.635 1.00 0.00 C ATOM 1170 C LEU A 85 8.977 0.001 -2.580 1.00 0.00 C ATOM 1171 O LEU A 85 9.718 0.257 -1.652 1.00 0.00 O ATOM 1172 CB LEU A 85 8.159 -1.916 -1.237 1.00 0.00 C ATOM 1173 CG LEU A 85 6.731 -1.842 -0.726 1.00 0.00 C ATOM 1174 CD1 LEU A 85 5.872 -2.884 -1.444 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.728 -2.128 0.774 1.00 0.00 C ATOM 0 H LEU A 85 9.944 -2.331 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 85 7.229 -1.152 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.500 -2.951 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.824 -1.368 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 85 6.323 -0.849 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.848 -2.828 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.882 -2.688 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.273 -3.880 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.707 -2.077 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.133 -3.123 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.342 -1.387 1.287 1.00 0.00 H new ATOM 1187 N GLY A 86 8.753 0.847 -3.556 1.00 0.00 N ATOM 1188 CA GLY A 86 9.407 2.198 -3.606 1.00 0.00 C ATOM 1189 C GLY A 86 10.667 2.245 -2.737 1.00 0.00 C ATOM 1190 O GLY A 86 10.852 3.152 -1.950 1.00 0.00 O ATOM 0 H GLY A 86 8.129 0.655 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.666 2.440 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.702 2.957 -3.268 1.00 0.00 H new ATOM 1194 N GLY A 87 11.532 1.280 -2.868 1.00 0.00 N ATOM 1195 CA GLY A 87 12.782 1.292 -2.031 1.00 0.00 C ATOM 1196 C GLY A 87 13.086 -0.114 -1.501 1.00 0.00 C ATOM 1197 O GLY A 87 13.792 -0.273 -0.525 1.00 0.00 O ATOM 0 H GLY A 87 11.438 0.490 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.621 1.652 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.662 1.983 -1.197 1.00 0.00 H new ATOM 1201 N THR A 88 12.583 -1.139 -2.138 1.00 0.00 N ATOM 1202 CA THR A 88 12.871 -2.513 -1.670 1.00 0.00 C ATOM 1203 C THR A 88 12.319 -3.486 -2.703 1.00 0.00 C ATOM 1204 O THR A 88 11.282 -3.256 -3.294 1.00 0.00 O ATOM 1205 CB THR A 88 12.228 -2.774 -0.284 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.043 -3.690 0.427 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.827 -3.381 -0.408 1.00 0.00 C ATOM 0 H THR A 88 11.985 -1.077 -2.962 1.00 0.00 H new ATOM 0 HA THR A 88 13.947 -2.647 -1.559 1.00 0.00 H new ATOM 0 HB THR A 88 12.146 -1.818 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.486 -4.220 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.413 -3.548 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.182 -2.697 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.888 -4.331 -0.940 1.00 0.00 H new ATOM 1215 N ALA A 89 12.979 -4.572 -2.917 1.00 0.00 N ATOM 1216 CA ALA A 89 12.462 -5.552 -3.896 1.00 0.00 C ATOM 1217 C ALA A 89 12.100 -6.853 -3.173 1.00 0.00 C ATOM 1218 O ALA A 89 12.954 -7.562 -2.679 1.00 0.00 O ATOM 1219 CB ALA A 89 13.515 -5.816 -4.956 1.00 0.00 C ATOM 0 H ALA A 89 13.854 -4.828 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 89 11.569 -5.153 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.132 -6.539 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.757 -4.885 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.414 -6.214 -4.485 1.00 0.00 H new ATOM 1225 N MET A 90 10.835 -7.166 -3.111 1.00 0.00 N ATOM 1226 CA MET A 90 10.396 -8.415 -2.425 1.00 0.00 C ATOM 1227 C MET A 90 11.228 -9.587 -2.937 1.00 0.00 C ATOM 1228 O MET A 90 11.433 -10.566 -2.245 1.00 0.00 O ATOM 1229 CB MET A 90 8.919 -8.675 -2.734 1.00 0.00 C ATOM 1230 CG MET A 90 8.038 -7.900 -1.752 1.00 0.00 C ATOM 1231 SD MET A 90 8.282 -6.123 -1.979 1.00 0.00 S ATOM 1232 CE MET A 90 9.533 -5.920 -0.690 1.00 0.00 C ATOM 0 H MET A 90 10.081 -6.606 -3.509 1.00 0.00 H new ATOM 0 HA MET A 90 10.531 -8.307 -1.349 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.693 -8.372 -3.756 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.706 -9.742 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.990 -8.155 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.284 -8.182 -0.728 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.229 -5.124 -0.010 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.637 -6.852 -0.134 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.488 -5.661 -1.147 1.00 0.00 H new ATOM 1242 N GLN A 91 11.714 -9.493 -4.142 1.00 0.00 N ATOM 1243 CA GLN A 91 12.542 -10.603 -4.696 1.00 0.00 C ATOM 1244 C GLN A 91 13.888 -10.608 -3.945 1.00 0.00 C ATOM 1245 O GLN A 91 14.274 -9.593 -3.400 1.00 0.00 O ATOM 1246 CB GLN A 91 12.763 -10.369 -6.200 1.00 0.00 C ATOM 1247 CG GLN A 91 11.648 -11.044 -7.014 1.00 0.00 C ATOM 1248 CD GLN A 91 11.917 -10.832 -8.505 1.00 0.00 C ATOM 1249 OE1 GLN A 91 11.399 -9.911 -9.103 1.00 0.00 O ATOM 1250 NE2 GLN A 91 12.716 -11.651 -9.133 1.00 0.00 N ATOM 0 H GLN A 91 11.575 -8.699 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 91 12.045 -11.564 -4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.780 -9.300 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.733 -10.767 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.609 -12.109 -6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.679 -10.625 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.151 -12.425 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.905 -11.517 -10.126 1.00 0.00 H new ATOM 1259 N GLY A 92 14.614 -11.716 -3.884 1.00 0.00 N ATOM 1260 CA GLY A 92 15.904 -11.694 -3.135 1.00 0.00 C ATOM 1261 C GLY A 92 15.706 -10.932 -1.821 1.00 0.00 C ATOM 1262 O GLY A 92 16.558 -10.182 -1.390 1.00 0.00 O ATOM 0 H GLY A 92 14.367 -12.608 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.239 -12.711 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.679 -11.216 -3.734 1.00 0.00 H new ATOM 1266 N LEU A 93 14.575 -11.112 -1.187 1.00 0.00 N ATOM 1267 CA LEU A 93 14.303 -10.400 0.087 1.00 0.00 C ATOM 1268 C LEU A 93 13.288 -11.212 0.892 1.00 0.00 C ATOM 1269 O LEU A 93 12.246 -11.586 0.393 1.00 0.00 O ATOM 1270 CB LEU A 93 13.730 -9.009 -0.216 1.00 0.00 C ATOM 1271 CG LEU A 93 14.873 -8.028 -0.490 1.00 0.00 C ATOM 1272 CD1 LEU A 93 14.310 -6.612 -0.618 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.872 -8.071 0.668 1.00 0.00 C ATOM 0 H LEU A 93 13.826 -11.728 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 93 15.225 -10.287 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.066 -9.059 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.132 -8.660 0.626 1.00 0.00 H new ATOM 0 HG LEU A 93 15.375 -8.307 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.124 -5.913 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.596 -6.577 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.808 -6.335 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.686 -7.373 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.368 -7.792 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.275 -9.079 0.764 1.00 0.00 H new ATOM 1285 N THR A 94 13.579 -11.496 2.132 1.00 0.00 N ATOM 1286 CA THR A 94 12.619 -12.290 2.951 1.00 0.00 C ATOM 1287 C THR A 94 11.420 -11.414 3.301 1.00 0.00 C ATOM 1288 O THR A 94 11.350 -10.264 2.915 1.00 0.00 O ATOM 1289 CB THR A 94 13.301 -12.763 4.238 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.710 -12.660 4.093 1.00 0.00 O ATOM 1291 CG2 THR A 94 12.918 -14.218 4.513 1.00 0.00 C ATOM 0 H THR A 94 14.434 -11.215 2.611 1.00 0.00 H new ATOM 0 HA THR A 94 12.288 -13.160 2.384 1.00 0.00 H new ATOM 0 HB THR A 94 12.977 -12.140 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.147 -12.961 4.917 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.403 -14.555 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.837 -14.294 4.626 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.241 -14.843 3.680 1.00 0.00 H new ATOM 1299 N ARG A 95 10.476 -11.937 4.033 1.00 0.00 N ATOM 1300 CA ARG A 95 9.290 -11.096 4.396 1.00 0.00 C ATOM 1301 C ARG A 95 9.731 -10.028 5.395 1.00 0.00 C ATOM 1302 O ARG A 95 9.591 -8.846 5.156 1.00 0.00 O ATOM 1303 CB ARG A 95 8.162 -11.941 5.015 1.00 0.00 C ATOM 1304 CG ARG A 95 7.022 -11.014 5.437 1.00 0.00 C ATOM 1305 CD ARG A 95 7.159 -10.673 6.922 1.00 0.00 C ATOM 1306 NE ARG A 95 6.684 -11.820 7.745 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.742 -11.761 9.049 1.00 0.00 C ATOM 1308 NH1 ARG A 95 7.687 -11.075 9.632 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.853 -12.388 9.769 1.00 0.00 N ATOM 0 H ARG A 95 10.468 -12.892 4.392 1.00 0.00 H new ATOM 0 HA ARG A 95 8.902 -10.637 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.803 -12.676 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.535 -12.495 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.042 -10.102 4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.062 -11.495 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.199 -10.448 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.579 -9.780 7.155 1.00 0.00 H new ATOM 0 HE ARG A 95 6.313 -12.654 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.382 -10.584 9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.731 -11.030 10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.114 -12.924 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.897 -12.343 10.787 1.00 0.00 H new ATOM 1323 N PHE A 96 10.263 -10.432 6.516 1.00 0.00 N ATOM 1324 CA PHE A 96 10.707 -9.432 7.524 1.00 0.00 C ATOM 1325 C PHE A 96 11.874 -8.614 6.964 1.00 0.00 C ATOM 1326 O PHE A 96 11.902 -7.405 7.080 1.00 0.00 O ATOM 1327 CB PHE A 96 11.145 -10.153 8.803 1.00 0.00 C ATOM 1328 CG PHE A 96 12.231 -11.154 8.481 1.00 0.00 C ATOM 1329 CD1 PHE A 96 13.576 -10.763 8.518 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.895 -12.473 8.154 1.00 0.00 C ATOM 1331 CE1 PHE A 96 14.582 -11.691 8.224 1.00 0.00 C ATOM 1332 CE2 PHE A 96 12.902 -13.400 7.861 1.00 0.00 C ATOM 1333 CZ PHE A 96 14.246 -13.009 7.896 1.00 0.00 C ATOM 0 H PHE A 96 10.408 -11.408 6.776 1.00 0.00 H new ATOM 0 HA PHE A 96 9.880 -8.760 7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.509 -9.430 9.532 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.293 -10.660 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 96 13.836 -9.746 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.859 -12.775 8.128 1.00 0.00 H new ATOM 0 HE1 PHE A 96 15.619 -11.389 8.250 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.642 -14.417 7.608 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.023 -13.724 7.670 1.00 0.00 H new ATOM 1343 N GLU A 97 12.839 -9.253 6.355 1.00 0.00 N ATOM 1344 CA GLU A 97 13.991 -8.474 5.796 1.00 0.00 C ATOM 1345 C GLU A 97 13.468 -7.482 4.748 1.00 0.00 C ATOM 1346 O GLU A 97 13.952 -6.376 4.638 1.00 0.00 O ATOM 1347 CB GLU A 97 15.067 -9.418 5.198 1.00 0.00 C ATOM 1348 CG GLU A 97 15.198 -9.229 3.685 1.00 0.00 C ATOM 1349 CD GLU A 97 16.358 -10.085 3.172 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.481 -9.826 3.571 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.104 -10.990 2.395 1.00 0.00 O ATOM 0 H GLU A 97 12.883 -10.263 6.220 1.00 0.00 H new ATOM 0 HA GLU A 97 14.472 -7.917 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.028 -9.225 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.806 -10.454 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.271 -9.516 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.373 -8.179 3.451 1.00 0.00 H new ATOM 1358 N ALA A 98 12.489 -7.870 3.980 1.00 0.00 N ATOM 1359 CA ALA A 98 11.947 -6.952 2.944 1.00 0.00 C ATOM 1360 C ALA A 98 11.241 -5.762 3.595 1.00 0.00 C ATOM 1361 O ALA A 98 11.621 -4.623 3.411 1.00 0.00 O ATOM 1362 CB ALA A 98 10.949 -7.714 2.078 1.00 0.00 C ATOM 0 H ALA A 98 12.041 -8.785 4.026 1.00 0.00 H new ATOM 0 HA ALA A 98 12.771 -6.580 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.546 -7.048 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.451 -8.554 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.136 -8.085 2.701 1.00 0.00 H new ATOM 1368 N TRP A 99 10.204 -6.019 4.337 1.00 0.00 N ATOM 1369 CA TRP A 99 9.445 -4.897 4.987 1.00 0.00 C ATOM 1370 C TRP A 99 10.394 -3.976 5.778 1.00 0.00 C ATOM 1371 O TRP A 99 10.033 -2.869 6.124 1.00 0.00 O ATOM 1372 CB TRP A 99 8.374 -5.483 5.919 1.00 0.00 C ATOM 1373 CG TRP A 99 7.602 -4.387 6.578 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.287 -4.344 7.893 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.031 -3.188 5.981 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.560 -3.195 8.142 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.377 -2.450 6.995 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.017 -2.673 4.674 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.732 -1.244 6.720 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.371 -1.460 4.394 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.731 -0.747 5.414 1.00 0.00 C ATOM 0 H TRP A 99 9.842 -6.954 4.527 1.00 0.00 H new ATOM 0 HA TRP A 99 8.967 -4.298 4.211 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.698 -6.122 5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.845 -6.111 6.676 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.559 -5.087 8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.203 -2.931 9.060 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.507 -3.215 3.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.237 -0.699 7.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.367 -1.074 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.236 0.187 5.192 1.00 0.00 H new ATOM 1392 N ASN A 100 11.597 -4.407 6.072 1.00 0.00 N ATOM 1393 CA ASN A 100 12.531 -3.525 6.841 1.00 0.00 C ATOM 1394 C ASN A 100 13.165 -2.468 5.917 1.00 0.00 C ATOM 1395 O ASN A 100 13.144 -1.289 6.211 1.00 0.00 O ATOM 1396 CB ASN A 100 13.635 -4.369 7.490 1.00 0.00 C ATOM 1397 CG ASN A 100 13.011 -5.437 8.389 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.940 -5.243 8.929 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.641 -6.565 8.572 1.00 0.00 N ATOM 0 H ASN A 100 11.970 -5.321 5.816 1.00 0.00 H new ATOM 0 HA ASN A 100 11.960 -3.015 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.245 -4.841 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.297 -3.730 8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.234 -7.285 9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.540 -6.727 8.118 1.00 0.00 H new ATOM 1406 N ILE A 101 13.736 -2.872 4.806 1.00 0.00 N ATOM 1407 CA ILE A 101 14.371 -1.882 3.884 1.00 0.00 C ATOM 1408 C ILE A 101 13.393 -0.756 3.571 1.00 0.00 C ATOM 1409 O ILE A 101 13.760 0.400 3.489 1.00 0.00 O ATOM 1410 CB ILE A 101 14.728 -2.583 2.580 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.837 -3.591 2.829 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.165 -1.558 1.536 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.196 -4.973 2.903 1.00 0.00 C ATOM 0 H ILE A 101 13.789 -3.844 4.500 1.00 0.00 H new ATOM 0 HA ILE A 101 15.262 -1.471 4.360 1.00 0.00 H new ATOM 0 HB ILE A 101 13.851 -3.108 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.575 -3.554 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.361 -3.362 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.418 -2.070 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.352 -0.855 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.037 -1.016 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.967 -5.723 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.473 -4.995 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.690 -5.190 1.962 1.00 0.00 H new ATOM 1425 N ILE A 102 12.152 -1.088 3.387 1.00 0.00 N ATOM 1426 CA ILE A 102 11.141 -0.049 3.069 1.00 0.00 C ATOM 1427 C ILE A 102 11.115 0.983 4.190 1.00 0.00 C ATOM 1428 O ILE A 102 11.403 2.143 3.994 1.00 0.00 O ATOM 1429 CB ILE A 102 9.795 -0.735 2.987 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.663 -1.446 1.670 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.650 0.265 3.152 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.609 -2.932 1.989 1.00 0.00 C ATOM 0 H ILE A 102 11.791 -2.040 3.443 1.00 0.00 H new ATOM 0 HA ILE A 102 11.378 0.451 2.130 1.00 0.00 H new ATOM 0 HB ILE A 102 9.735 -1.457 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.762 -1.128 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.507 -1.219 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.697 -0.260 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.731 0.754 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.705 1.015 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.513 -3.500 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.524 -3.227 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.751 -3.136 2.630 1.00 0.00 H new ATOM 1444 N LYS A 103 10.760 0.559 5.363 1.00 0.00 N ATOM 1445 CA LYS A 103 10.705 1.510 6.512 1.00 0.00 C ATOM 1446 C LYS A 103 11.952 2.392 6.494 1.00 0.00 C ATOM 1447 O LYS A 103 11.937 3.526 6.929 1.00 0.00 O ATOM 1448 CB LYS A 103 10.663 0.732 7.831 1.00 0.00 C ATOM 1449 CG LYS A 103 9.368 -0.076 7.913 1.00 0.00 C ATOM 1450 CD LYS A 103 8.726 0.127 9.286 1.00 0.00 C ATOM 1451 CE LYS A 103 8.115 1.526 9.362 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.398 2.119 10.699 1.00 0.00 N ATOM 0 H LYS A 103 10.504 -0.404 5.582 1.00 0.00 H new ATOM 0 HA LYS A 103 9.810 2.125 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.523 0.066 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.727 1.421 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.680 0.239 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.576 -1.133 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.957 -0.627 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.472 0.002 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.529 2.158 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.039 1.474 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.983 3.071 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.983 1.519 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.426 2.182 10.840 1.00 0.00 H new ATOM 1466 N ALA A 104 13.033 1.862 6.007 1.00 0.00 N ATOM 1467 CA ALA A 104 14.305 2.642 5.966 1.00 0.00 C ATOM 1468 C ALA A 104 14.354 3.550 4.727 1.00 0.00 C ATOM 1469 O ALA A 104 15.272 4.330 4.564 1.00 0.00 O ATOM 1470 CB ALA A 104 15.488 1.673 5.926 1.00 0.00 C ATOM 0 H ALA A 104 13.095 0.916 5.632 1.00 0.00 H new ATOM 0 HA ALA A 104 14.357 3.268 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.420 2.238 5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.473 1.044 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.415 1.046 5.037 1.00 0.00 H new ATOM 1476 N LEU A 105 13.387 3.462 3.853 1.00 0.00 N ATOM 1477 CA LEU A 105 13.409 4.328 2.637 1.00 0.00 C ATOM 1478 C LEU A 105 13.186 5.797 3.048 1.00 0.00 C ATOM 1479 O LEU A 105 12.972 6.072 4.212 1.00 0.00 O ATOM 1480 CB LEU A 105 12.332 3.823 1.643 1.00 0.00 C ATOM 1481 CG LEU A 105 10.874 3.941 2.168 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.763 4.720 3.484 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.026 4.646 1.109 1.00 0.00 C ATOM 0 H LEU A 105 12.588 2.833 3.927 1.00 0.00 H new ATOM 0 HA LEU A 105 14.377 4.275 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.418 4.387 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.536 2.780 1.403 1.00 0.00 H new ATOM 0 HG LEU A 105 10.521 2.928 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.719 4.764 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.349 4.218 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.142 5.732 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.000 4.735 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.432 5.640 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.041 4.066 0.186 1.00 0.00 H new ATOM 1495 N PRO A 106 13.241 6.703 2.097 1.00 0.00 N ATOM 1496 CA PRO A 106 13.046 8.136 2.374 1.00 0.00 C ATOM 1497 C PRO A 106 11.554 8.479 2.419 1.00 0.00 C ATOM 1498 O PRO A 106 10.716 7.715 1.984 1.00 0.00 O ATOM 1499 CB PRO A 106 13.734 8.824 1.192 1.00 0.00 C ATOM 1500 CG PRO A 106 13.775 7.787 0.044 1.00 0.00 C ATOM 1501 CD PRO A 106 13.519 6.406 0.677 1.00 0.00 C ATOM 0 HA PRO A 106 13.452 8.446 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.186 9.716 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.740 9.144 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.019 8.013 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.741 7.807 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.677 5.901 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.384 5.752 0.569 1.00 0.00 H new ATOM 1509 N ASP A 107 11.220 9.627 2.944 1.00 0.00 N ATOM 1510 CA ASP A 107 9.788 10.031 3.020 1.00 0.00 C ATOM 1511 C ASP A 107 9.382 10.691 1.705 1.00 0.00 C ATOM 1512 O ASP A 107 9.477 11.892 1.546 1.00 0.00 O ATOM 1513 CB ASP A 107 9.599 11.026 4.167 1.00 0.00 C ATOM 1514 CG ASP A 107 9.672 10.287 5.504 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.090 9.141 5.503 1.00 0.00 O ATOM 1516 OD2 ASP A 107 9.309 10.880 6.506 1.00 0.00 O ATOM 0 H ASP A 107 11.881 10.304 3.325 1.00 0.00 H new ATOM 0 HA ASP A 107 9.169 9.152 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.368 11.797 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.637 11.530 4.070 1.00 0.00 H new ATOM 1521 N GLY A 108 8.936 9.917 0.757 1.00 0.00 N ATOM 1522 CA GLY A 108 8.528 10.507 -0.552 1.00 0.00 C ATOM 1523 C GLY A 108 7.565 9.557 -1.271 1.00 0.00 C ATOM 1524 O GLY A 108 6.760 8.903 -0.640 1.00 0.00 O ATOM 0 H GLY A 108 8.836 8.905 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.049 11.473 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.407 10.685 -1.171 1.00 0.00 H new ATOM 1528 N PRO A 109 7.678 9.513 -2.577 1.00 0.00 N ATOM 1529 CA PRO A 109 6.825 8.657 -3.424 1.00 0.00 C ATOM 1530 C PRO A 109 7.268 7.195 -3.354 1.00 0.00 C ATOM 1531 O PRO A 109 8.150 6.769 -4.073 1.00 0.00 O ATOM 1532 CB PRO A 109 7.040 9.218 -4.832 1.00 0.00 C ATOM 1533 CG PRO A 109 8.393 9.962 -4.804 1.00 0.00 C ATOM 1534 CD PRO A 109 8.671 10.309 -3.330 1.00 0.00 C ATOM 0 HA PRO A 109 5.780 8.667 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.053 8.417 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.231 9.894 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.188 9.337 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.352 10.864 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.690 10.048 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.551 11.376 -3.142 1.00 0.00 H new ATOM 1542 N VAL A 110 6.637 6.412 -2.521 1.00 0.00 N ATOM 1543 CA VAL A 110 7.000 4.977 -2.445 1.00 0.00 C ATOM 1544 C VAL A 110 6.185 4.273 -3.505 1.00 0.00 C ATOM 1545 O VAL A 110 4.986 4.147 -3.399 1.00 0.00 O ATOM 1546 CB VAL A 110 6.657 4.412 -1.065 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.394 5.065 -0.534 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.415 2.900 -1.137 1.00 0.00 C ATOM 0 H VAL A 110 5.889 6.707 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 110 8.069 4.836 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 110 7.500 4.618 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.158 4.656 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.548 6.141 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.568 4.868 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.173 2.523 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.586 2.696 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.314 2.405 -1.504 1.00 0.00 H new ATOM 1558 N THR A 111 6.826 3.842 -4.539 1.00 0.00 N ATOM 1559 CA THR A 111 6.073 3.183 -5.631 1.00 0.00 C ATOM 1560 C THR A 111 5.953 1.692 -5.369 1.00 0.00 C ATOM 1561 O THR A 111 6.909 1.007 -5.075 1.00 0.00 O ATOM 1562 CB THR A 111 6.776 3.401 -6.964 1.00 0.00 C ATOM 1563 OG1 THR A 111 6.063 2.719 -7.987 1.00 0.00 O ATOM 1564 CG2 THR A 111 8.200 2.857 -6.884 1.00 0.00 C ATOM 0 H THR A 111 7.834 3.915 -4.680 1.00 0.00 H new ATOM 0 HA THR A 111 5.077 3.623 -5.669 1.00 0.00 H new ATOM 0 HB THR A 111 6.809 4.467 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.512 2.858 -8.847 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.703 3.013 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.745 3.378 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.170 1.791 -6.660 1.00 0.00 H new ATOM 1572 N ILE A 112 4.769 1.200 -5.493 1.00 0.00 N ATOM 1573 CA ILE A 112 4.511 -0.235 -5.276 1.00 0.00 C ATOM 1574 C ILE A 112 4.083 -0.864 -6.597 1.00 0.00 C ATOM 1575 O ILE A 112 3.569 -0.199 -7.473 1.00 0.00 O ATOM 1576 CB ILE A 112 3.386 -0.395 -4.252 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.456 0.818 -4.319 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.974 -0.515 -2.846 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.322 0.646 -3.314 1.00 0.00 C ATOM 0 H ILE A 112 3.945 1.747 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 112 5.413 -0.724 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 112 2.821 -1.299 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.013 1.729 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.051 0.924 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.167 -0.629 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.629 -1.385 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.546 0.383 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.659 1.510 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.759 -0.257 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.736 0.561 -2.309 1.00 0.00 H new ATOM 1591 N VAL A 113 4.271 -2.140 -6.739 1.00 0.00 N ATOM 1592 CA VAL A 113 3.854 -2.811 -7.996 1.00 0.00 C ATOM 1593 C VAL A 113 3.057 -4.047 -7.613 1.00 0.00 C ATOM 1594 O VAL A 113 3.598 -5.119 -7.423 1.00 0.00 O ATOM 1595 CB VAL A 113 5.070 -3.237 -8.817 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.807 -2.974 -10.302 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.309 -2.454 -8.372 1.00 0.00 C ATOM 0 H VAL A 113 4.695 -2.749 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 113 3.261 -2.123 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 113 5.246 -4.301 -8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.676 -3.279 -10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.936 -3.545 -10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.622 -1.911 -10.456 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.169 -2.766 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.137 -1.387 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.504 -2.650 -7.318 1.00 0.00 H new ATOM 1607 N ILE A 114 1.782 -3.900 -7.481 1.00 0.00 N ATOM 1608 CA ILE A 114 0.941 -5.060 -7.086 1.00 0.00 C ATOM 1609 C ILE A 114 0.479 -5.805 -8.332 1.00 0.00 C ATOM 1610 O ILE A 114 -0.042 -5.224 -9.264 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.275 -4.568 -6.293 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.302 -3.946 -7.241 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.173 -3.516 -5.276 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.176 -5.044 -7.849 1.00 0.00 C ATOM 0 H ILE A 114 1.277 -3.026 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 114 1.526 -5.735 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.729 -5.414 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.923 -3.231 -6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.794 -3.394 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.691 -3.165 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.899 -3.957 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.630 -2.676 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.906 -4.596 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.549 -5.742 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.696 -5.577 -7.053 1.00 0.00 H new ATOM 1626 N ARG A 115 0.654 -7.093 -8.348 1.00 0.00 N ATOM 1627 CA ARG A 115 0.209 -7.887 -9.522 1.00 0.00 C ATOM 1628 C ARG A 115 -0.620 -9.062 -9.009 1.00 0.00 C ATOM 1629 O ARG A 115 -0.100 -9.996 -8.432 1.00 0.00 O ATOM 1630 CB ARG A 115 1.423 -8.406 -10.306 1.00 0.00 C ATOM 1631 CG ARG A 115 0.990 -9.564 -11.210 1.00 0.00 C ATOM 1632 CD ARG A 115 2.014 -9.753 -12.327 1.00 0.00 C ATOM 1633 NE ARG A 115 3.386 -9.524 -11.792 1.00 0.00 N ATOM 1634 CZ ARG A 115 4.181 -10.537 -11.583 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.391 -11.408 -12.531 1.00 0.00 N ATOM 1636 NH2 ARG A 115 4.764 -10.681 -10.425 1.00 0.00 N ATOM 0 H ARG A 115 1.087 -7.632 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.385 -7.264 -10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.852 -7.603 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.199 -8.739 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.900 -10.480 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.007 -9.359 -11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.937 -10.759 -12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.810 -9.059 -13.142 1.00 0.00 H new ATOM 0 HE ARG A 115 3.703 -8.576 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 115 3.934 -11.297 -13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 115 5.013 -12.200 -12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 115 4.598 -10.001 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.386 -11.473 -10.262 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.903 -9.019 -9.206 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.762 -10.131 -8.717 1.00 0.00 C ATOM 1652 C ARG A 116 -3.109 -11.051 -9.894 1.00 0.00 C ATOM 1653 O ARG A 116 -3.519 -10.597 -10.944 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.051 -9.554 -8.128 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.010 -9.654 -6.602 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.323 -9.125 -6.020 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.280 -10.255 -5.845 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.501 -10.022 -5.450 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -8.064 -8.875 -5.713 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.161 -10.938 -4.793 1.00 0.00 N ATOM 0 H ARG A 116 -2.396 -8.264 -9.683 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.232 -10.697 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.167 -8.513 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.914 -10.096 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.857 -10.690 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.170 -9.080 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.139 -8.639 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.750 -8.372 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.979 -11.211 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.549 -8.160 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.019 -8.693 -5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.721 -11.836 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.116 -10.756 -4.484 1.00 0.00 H new