USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 88 THR OG1 : rot -139:sc= -4.06! USER MOD Set 1.2: A 90 MET CE :methyl -117:sc= -14.1! (180deg=-21.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 31 CYS SG : rot 152:sc= -7.44! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= -2.82! (180deg=-5.59!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 33:sc= 0.991 USER MOD Single : A 62 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.5) USER MOD Single : A 75 THR OG1 : rot -8:sc= -4.24! USER MOD Single : A 77 GLN : amide:sc= -16.9! C(o=-17!,f=-22!) USER MOD Single : A 84 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.9!) USER MOD Single : A 91 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.7!) USER MOD Single : A 94 THR OG1 : rot -140:sc= -1.73! USER MOD Single : A 100 ASN : amide:sc= -1.03 X(o=-1,f=-0.9) 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 -2.828 -9.385 -13.463 1.00 0.00 N ATOM 350 CA THR A 29 -3.043 -7.925 -13.669 1.00 0.00 C ATOM 351 C THR A 29 -2.089 -7.147 -12.763 1.00 0.00 C ATOM 352 O THR A 29 -1.801 -7.552 -11.654 1.00 0.00 O ATOM 353 CB THR A 29 -4.488 -7.562 -13.320 1.00 0.00 C ATOM 354 OG1 THR A 29 -4.666 -7.631 -11.912 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.442 -8.539 -14.007 1.00 0.00 C ATOM 0 HA THR A 29 -2.852 -7.671 -14.712 1.00 0.00 H new ATOM 0 HB THR A 29 -4.701 -6.550 -13.663 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.591 -7.397 -11.687 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.471 -8.279 -13.757 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.305 -8.482 -15.087 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.231 -9.553 -13.667 1.00 0.00 H new ATOM 363 N VAL A 30 -1.592 -6.035 -13.226 1.00 0.00 N ATOM 364 CA VAL A 30 -0.652 -5.239 -12.391 1.00 0.00 C ATOM 365 C VAL A 30 -1.239 -3.855 -12.126 1.00 0.00 C ATOM 366 O VAL A 30 -1.947 -3.297 -12.942 1.00 0.00 O ATOM 367 CB VAL A 30 0.682 -5.084 -13.129 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.512 -3.969 -12.483 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.458 -6.398 -13.061 1.00 0.00 C ATOM 0 H VAL A 30 -1.796 -5.643 -14.146 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.493 -5.754 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 30 0.485 -4.827 -14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.458 -3.866 -13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.962 -3.029 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.706 -4.218 -11.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.407 -6.288 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.648 -6.655 -12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.874 -7.190 -13.530 1.00 0.00 H new ATOM 379 N CYS A 31 -0.929 -3.292 -10.996 1.00 0.00 N ATOM 380 CA CYS A 31 -1.440 -1.927 -10.674 1.00 0.00 C ATOM 381 C CYS A 31 -0.320 -1.131 -9.999 1.00 0.00 C ATOM 382 O CYS A 31 -0.180 -1.132 -8.791 1.00 0.00 O ATOM 383 CB CYS A 31 -2.652 -2.015 -9.738 1.00 0.00 C ATOM 384 SG CYS A 31 -3.563 -3.551 -10.047 1.00 0.00 S ATOM 0 H CYS A 31 -0.343 -3.716 -10.277 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.752 -1.430 -11.593 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.323 -1.980 -8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.306 -1.157 -9.894 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.169 -3.923 -8.959 1.00 0.00 H new ATOM 390 N THR A 32 0.488 -0.460 -10.776 1.00 0.00 N ATOM 391 CA THR A 32 1.613 0.331 -10.197 1.00 0.00 C ATOM 392 C THR A 32 1.063 1.570 -9.487 1.00 0.00 C ATOM 393 O THR A 32 0.291 2.325 -10.044 1.00 0.00 O ATOM 394 CB THR A 32 2.550 0.758 -11.328 1.00 0.00 C ATOM 395 OG1 THR A 32 2.606 -0.273 -12.305 1.00 0.00 O ATOM 396 CG2 THR A 32 3.952 1.014 -10.775 1.00 0.00 C ATOM 0 H THR A 32 0.417 -0.426 -11.793 1.00 0.00 H new ATOM 0 HA THR A 32 2.158 -0.277 -9.475 1.00 0.00 H new ATOM 0 HB THR A 32 2.173 1.675 -11.781 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.204 -0.002 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.613 1.318 -11.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.909 1.805 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.335 0.102 -10.317 1.00 0.00 H new ATOM 404 N VAL A 33 1.436 1.777 -8.249 1.00 0.00 N ATOM 405 CA VAL A 33 0.912 2.957 -7.502 1.00 0.00 C ATOM 406 C VAL A 33 1.992 3.541 -6.579 1.00 0.00 C ATOM 407 O VAL A 33 2.968 2.894 -6.260 1.00 0.00 O ATOM 408 CB VAL A 33 -0.284 2.521 -6.644 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.564 3.106 -7.229 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.398 0.991 -6.610 1.00 0.00 C ATOM 0 H VAL A 33 2.078 1.181 -7.726 1.00 0.00 H new ATOM 0 HA VAL A 33 0.611 3.717 -8.223 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.135 2.885 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.415 2.798 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.497 4.194 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.696 2.745 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.252 0.703 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.536 0.614 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.512 0.568 -6.186 1.00 0.00 H new ATOM 420 N THR A 34 1.811 4.761 -6.128 1.00 0.00 N ATOM 421 CA THR A 34 2.805 5.371 -5.203 1.00 0.00 C ATOM 422 C THR A 34 2.174 5.534 -3.819 1.00 0.00 C ATOM 423 O THR A 34 1.055 5.991 -3.687 1.00 0.00 O ATOM 424 CB THR A 34 3.237 6.747 -5.710 1.00 0.00 C ATOM 425 OG1 THR A 34 2.206 7.320 -6.496 1.00 0.00 O ATOM 426 CG2 THR A 34 4.531 6.635 -6.519 1.00 0.00 C ATOM 0 H THR A 34 1.017 5.356 -6.364 1.00 0.00 H new ATOM 0 HA THR A 34 3.677 4.719 -5.150 1.00 0.00 H new ATOM 0 HB THR A 34 3.424 7.395 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.490 8.202 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.825 7.623 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.320 6.225 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.370 5.977 -7.373 1.00 0.00 H new ATOM 434 N LEU A 35 2.876 5.157 -2.788 1.00 0.00 N ATOM 435 CA LEU A 35 2.297 5.287 -1.409 1.00 0.00 C ATOM 436 C LEU A 35 3.027 6.352 -0.589 1.00 0.00 C ATOM 437 O LEU A 35 3.596 6.050 0.437 1.00 0.00 O ATOM 438 CB LEU A 35 2.430 3.967 -0.682 1.00 0.00 C ATOM 439 CG LEU A 35 1.184 3.101 -0.908 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.084 3.531 0.064 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.679 3.267 -2.346 1.00 0.00 C ATOM 0 H LEU A 35 3.818 4.767 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 35 1.252 5.576 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.316 3.439 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.568 4.145 0.385 1.00 0.00 H new ATOM 0 HG LEU A 35 1.443 2.056 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.802 2.917 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.434 3.405 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.165 4.578 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.206 2.648 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.425 4.312 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.459 2.960 -3.043 1.00 0.00 H new ATOM 453 N GLU A 36 2.987 7.581 -1.031 1.00 0.00 N ATOM 454 CA GLU A 36 3.668 8.714 -0.307 1.00 0.00 C ATOM 455 C GLU A 36 4.086 8.301 1.112 1.00 0.00 C ATOM 456 O GLU A 36 3.258 8.086 1.974 1.00 0.00 O ATOM 457 CB GLU A 36 2.708 9.903 -0.223 1.00 0.00 C ATOM 458 CG GLU A 36 3.177 11.005 -1.175 1.00 0.00 C ATOM 459 CD GLU A 36 3.629 12.221 -0.365 1.00 0.00 C ATOM 460 OE1 GLU A 36 4.032 12.034 0.771 1.00 0.00 O ATOM 461 OE2 GLU A 36 3.567 13.318 -0.895 1.00 0.00 O ATOM 0 H GLU A 36 2.501 7.861 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 36 4.566 8.985 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.698 9.588 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.670 10.282 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.998 10.641 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.369 11.285 -1.851 1.00 0.00 H new ATOM 468 N LYS A 37 5.368 8.174 1.356 1.00 0.00 N ATOM 469 CA LYS A 37 5.830 7.759 2.714 1.00 0.00 C ATOM 470 C LYS A 37 5.775 8.952 3.663 1.00 0.00 C ATOM 471 O LYS A 37 6.655 9.790 3.683 1.00 0.00 O ATOM 472 CB LYS A 37 7.267 7.241 2.641 1.00 0.00 C ATOM 473 CG LYS A 37 7.404 6.286 1.459 1.00 0.00 C ATOM 474 CD LYS A 37 7.909 7.062 0.242 1.00 0.00 C ATOM 475 CE LYS A 37 9.366 6.702 -0.041 1.00 0.00 C ATOM 476 NZ LYS A 37 10.072 7.877 -0.625 1.00 0.00 N ATOM 0 H LYS A 37 6.110 8.339 0.676 1.00 0.00 H new ATOM 0 HA LYS A 37 5.178 6.967 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.960 8.075 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.528 6.730 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.096 5.481 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.443 5.823 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.294 6.831 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.819 8.133 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.859 6.391 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.415 5.858 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.839 7.548 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.400 8.446 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.471 8.458 0.140 1.00 0.00 H new ATOM 528 N GLY A 41 4.590 3.909 8.042 1.00 0.00 N ATOM 529 CA GLY A 41 5.167 2.927 7.076 1.00 0.00 C ATOM 530 C GLY A 41 4.241 2.793 5.867 1.00 0.00 C ATOM 531 O GLY A 41 3.518 1.825 5.730 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.156 3.255 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.294 1.958 7.559 1.00 0.00 H new ATOM 535 N LEU A 42 4.256 3.760 4.987 1.00 0.00 N ATOM 536 CA LEU A 42 3.375 3.700 3.778 1.00 0.00 C ATOM 537 C LEU A 42 1.992 3.176 4.151 1.00 0.00 C ATOM 538 O LEU A 42 1.267 2.666 3.320 1.00 0.00 O ATOM 539 CB LEU A 42 3.986 2.786 2.711 1.00 0.00 C ATOM 540 CG LEU A 42 5.436 2.465 3.057 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.956 1.386 2.109 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.288 3.725 2.911 1.00 0.00 C ATOM 0 H LEU A 42 4.842 4.592 5.052 1.00 0.00 H new ATOM 0 HA LEU A 42 3.285 4.710 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.409 1.864 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.936 3.270 1.736 1.00 0.00 H new ATOM 0 HG LEU A 42 5.494 2.107 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.993 1.155 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.349 0.487 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.898 1.746 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.324 3.494 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.232 4.085 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.917 4.496 3.586 1.00 0.00 H new ATOM 554 N GLY A 43 1.614 3.300 5.388 1.00 0.00 N ATOM 555 CA GLY A 43 0.275 2.815 5.807 1.00 0.00 C ATOM 556 C GLY A 43 0.105 1.336 5.450 1.00 0.00 C ATOM 557 O GLY A 43 -0.982 0.799 5.545 1.00 0.00 O ATOM 0 H GLY A 43 2.176 3.718 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.152 2.952 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.501 3.405 5.319 1.00 0.00 H new ATOM 561 N PHE A 44 1.151 0.653 5.047 1.00 0.00 N ATOM 562 CA PHE A 44 0.979 -0.779 4.714 1.00 0.00 C ATOM 563 C PHE A 44 2.196 -1.579 5.168 1.00 0.00 C ATOM 564 O PHE A 44 3.302 -1.086 5.256 1.00 0.00 O ATOM 565 CB PHE A 44 0.750 -0.950 3.199 1.00 0.00 C ATOM 566 CG PHE A 44 2.066 -0.967 2.450 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.943 -2.050 2.590 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.405 0.100 1.612 1.00 0.00 C ATOM 569 CE1 PHE A 44 4.155 -2.065 1.899 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.620 0.084 0.919 1.00 0.00 C ATOM 571 CZ PHE A 44 4.494 -0.999 1.065 1.00 0.00 C ATOM 0 H PHE A 44 2.095 1.024 4.939 1.00 0.00 H new ATOM 0 HA PHE A 44 0.103 -1.159 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.209 -1.877 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.127 -0.137 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.680 -2.876 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.730 0.935 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.830 -2.901 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.883 0.907 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.433 -1.010 0.531 1.00 0.00 H new ATOM 581 N SER A 45 1.972 -2.824 5.438 1.00 0.00 N ATOM 582 CA SER A 45 3.066 -3.743 5.879 1.00 0.00 C ATOM 583 C SER A 45 3.116 -4.934 4.916 1.00 0.00 C ATOM 584 O SER A 45 2.094 -5.410 4.457 1.00 0.00 O ATOM 585 CB SER A 45 2.780 -4.240 7.297 1.00 0.00 C ATOM 586 OG SER A 45 3.589 -5.378 7.568 1.00 0.00 O ATOM 0 H SER A 45 1.054 -3.264 5.372 1.00 0.00 H new ATOM 0 HA SER A 45 4.021 -3.218 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.988 -3.451 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.726 -4.496 7.399 1.00 0.00 H new ATOM 0 HG SER A 45 3.409 -5.698 8.477 1.00 0.00 H new ATOM 592 N LEU A 46 4.290 -5.405 4.585 1.00 0.00 N ATOM 593 CA LEU A 46 4.392 -6.547 3.618 1.00 0.00 C ATOM 594 C LEU A 46 4.535 -7.886 4.342 1.00 0.00 C ATOM 595 O LEU A 46 5.295 -8.021 5.280 1.00 0.00 O ATOM 596 CB LEU A 46 5.614 -6.344 2.715 1.00 0.00 C ATOM 597 CG LEU A 46 5.160 -5.988 1.296 1.00 0.00 C ATOM 598 CD1 LEU A 46 4.012 -4.978 1.354 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.337 -5.377 0.531 1.00 0.00 C ATOM 0 H LEU A 46 5.180 -5.053 4.938 1.00 0.00 H new ATOM 0 HA LEU A 46 3.475 -6.567 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.244 -5.550 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.218 -7.251 2.696 1.00 0.00 H new ATOM 0 HG LEU A 46 4.816 -6.890 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.694 -4.730 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.174 -5.410 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.348 -4.074 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.020 -5.121 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.676 -4.477 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.154 -6.097 0.484 1.00 0.00 H new ATOM 611 N GLU A 47 3.826 -8.893 3.888 1.00 0.00 N ATOM 612 CA GLU A 47 3.948 -10.233 4.529 1.00 0.00 C ATOM 613 C GLU A 47 3.619 -11.320 3.514 1.00 0.00 C ATOM 614 O GLU A 47 2.940 -11.097 2.532 1.00 0.00 O ATOM 615 CB GLU A 47 3.011 -10.358 5.723 1.00 0.00 C ATOM 616 CG GLU A 47 3.265 -9.200 6.684 1.00 0.00 C ATOM 617 CD GLU A 47 2.411 -9.375 7.941 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.250 -9.001 7.904 1.00 0.00 O ATOM 619 OE2 GLU A 47 2.932 -9.879 8.922 1.00 0.00 O ATOM 0 H GLU A 47 3.173 -8.842 3.106 1.00 0.00 H new ATOM 0 HA GLU A 47 4.973 -10.349 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.974 -10.348 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.173 -11.309 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.321 -9.163 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.026 -8.254 6.199 1.00 0.00 H new ATOM 771 N LEU A 59 5.947 -11.963 -1.278 1.00 0.00 N ATOM 772 CA LEU A 59 5.645 -10.941 -0.238 1.00 0.00 C ATOM 773 C LEU A 59 4.348 -10.231 -0.631 1.00 0.00 C ATOM 774 O LEU A 59 4.151 -9.886 -1.780 1.00 0.00 O ATOM 775 CB LEU A 59 6.784 -9.923 -0.171 1.00 0.00 C ATOM 776 CG LEU A 59 7.845 -10.417 0.808 1.00 0.00 C ATOM 777 CD1 LEU A 59 9.150 -10.683 0.055 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.082 -9.360 1.889 1.00 0.00 C ATOM 0 HA LEU A 59 5.538 -11.416 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.222 -9.784 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.402 -8.953 0.148 1.00 0.00 H new ATOM 0 HG LEU A 59 7.502 -11.339 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.908 -11.036 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.981 -11.441 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.492 -9.762 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.840 -9.716 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.422 -8.435 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.152 -9.175 2.427 1.00 0.00 H new ATOM 790 N THR A 60 3.450 -10.027 0.291 1.00 0.00 N ATOM 791 CA THR A 60 2.164 -9.365 -0.075 1.00 0.00 C ATOM 792 C THR A 60 1.732 -8.395 1.047 1.00 0.00 C ATOM 793 O THR A 60 2.151 -8.548 2.176 1.00 0.00 O ATOM 794 CB THR A 60 1.118 -10.460 -0.246 1.00 0.00 C ATOM 795 OG1 THR A 60 1.278 -11.413 0.793 1.00 0.00 O ATOM 796 CG2 THR A 60 1.340 -11.117 -1.600 1.00 0.00 C ATOM 0 H THR A 60 3.547 -10.286 1.273 1.00 0.00 H new ATOM 0 HA THR A 60 2.276 -8.792 -0.996 1.00 0.00 H new ATOM 0 HB THR A 60 0.110 -10.049 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.590 -10.962 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.602 -11.906 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.235 -10.371 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.342 -11.545 -1.637 1.00 0.00 H new ATOM 804 N ILE A 61 0.897 -7.404 0.780 1.00 0.00 N ATOM 805 CA ILE A 61 0.489 -6.488 1.884 1.00 0.00 C ATOM 806 C ILE A 61 -0.526 -7.177 2.788 1.00 0.00 C ATOM 807 O ILE A 61 -1.546 -7.675 2.354 1.00 0.00 O ATOM 808 CB ILE A 61 -0.130 -5.220 1.321 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.954 -4.355 0.676 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.779 -4.431 2.453 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.360 -3.001 0.274 1.00 0.00 C ATOM 0 H ILE A 61 0.494 -7.201 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 61 1.378 -6.230 2.459 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.877 -5.488 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.779 -4.209 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.362 -4.859 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.224 -3.520 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.553 -5.038 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.024 -4.170 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.134 -2.386 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.450 -3.156 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.027 -2.496 1.159 1.00 0.00 H new ATOM 823 N ASN A 62 -0.235 -7.196 4.047 1.00 0.00 N ATOM 824 CA ASN A 62 -1.162 -7.843 5.036 1.00 0.00 C ATOM 825 C ASN A 62 -1.741 -6.820 6.021 1.00 0.00 C ATOM 826 O ASN A 62 -2.938 -6.754 6.220 1.00 0.00 O ATOM 827 CB ASN A 62 -0.423 -8.919 5.828 1.00 0.00 C ATOM 828 CG ASN A 62 -0.515 -10.254 5.088 1.00 0.00 C ATOM 829 OD1 ASN A 62 -1.232 -11.143 5.503 1.00 0.00 O ATOM 830 ND2 ASN A 62 0.185 -10.436 4.002 1.00 0.00 N ATOM 0 H ASN A 62 0.610 -6.791 4.451 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.980 -8.287 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.621 -8.636 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.855 -9.013 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.130 -11.324 3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.787 -9.691 3.653 1.00 0.00 H new ATOM 837 N ARG A 63 -0.914 -6.043 6.658 1.00 0.00 N ATOM 838 CA ARG A 63 -1.434 -5.056 7.646 1.00 0.00 C ATOM 839 C ARG A 63 -1.529 -3.674 7.006 1.00 0.00 C ATOM 840 O ARG A 63 -0.587 -2.906 7.020 1.00 0.00 O ATOM 841 CB ARG A 63 -0.493 -4.992 8.851 1.00 0.00 C ATOM 842 CG ARG A 63 -1.096 -5.780 10.015 1.00 0.00 C ATOM 843 CD ARG A 63 -1.884 -4.829 10.917 1.00 0.00 C ATOM 844 NE ARG A 63 -3.304 -4.778 10.466 1.00 0.00 N ATOM 845 CZ ARG A 63 -4.041 -3.738 10.745 1.00 0.00 C ATOM 846 NH1 ARG A 63 -3.930 -3.151 11.905 1.00 0.00 N ATOM 847 NH2 ARG A 63 -4.887 -3.281 9.863 1.00 0.00 N ATOM 0 H ARG A 63 0.099 -6.047 6.539 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.426 -5.370 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.481 -5.403 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.332 -3.955 9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.750 -6.566 9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.306 -6.269 10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.832 -5.166 11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.445 -3.832 10.884 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.700 -5.557 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.267 -3.505 12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.506 -2.338 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.973 -3.737 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.463 -2.468 10.082 1.00 0.00 H new ATOM 861 N ILE A 64 -2.660 -3.349 6.449 1.00 0.00 N ATOM 862 CA ILE A 64 -2.809 -2.015 5.816 1.00 0.00 C ATOM 863 C ILE A 64 -3.469 -1.057 6.790 1.00 0.00 C ATOM 864 O ILE A 64 -4.318 -1.424 7.575 1.00 0.00 O ATOM 865 CB ILE A 64 -3.639 -2.130 4.543 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.821 -2.945 3.546 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.927 -0.730 3.984 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.012 -2.435 2.115 1.00 0.00 C ATOM 0 H ILE A 64 -3.484 -3.948 6.405 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.823 -1.630 5.555 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.595 -2.615 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.765 -2.896 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.116 -3.993 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.521 -0.817 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.479 -0.149 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.986 -0.228 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.415 -3.038 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.064 -2.509 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.693 -1.395 2.054 1.00 0.00 H new ATOM 880 N PHE A 65 -3.064 0.172 6.746 1.00 0.00 N ATOM 881 CA PHE A 65 -3.645 1.180 7.678 1.00 0.00 C ATOM 882 C PHE A 65 -4.563 2.128 6.904 1.00 0.00 C ATOM 883 O PHE A 65 -4.473 2.252 5.700 1.00 0.00 O ATOM 884 CB PHE A 65 -2.515 1.973 8.338 1.00 0.00 C ATOM 885 CG PHE A 65 -1.418 1.016 8.781 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.725 -0.327 9.065 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.094 1.465 8.906 1.00 0.00 C ATOM 888 CE1 PHE A 65 -0.712 -1.212 9.470 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.916 0.575 9.313 1.00 0.00 C ATOM 890 CZ PHE A 65 0.605 -0.759 9.592 1.00 0.00 C ATOM 0 H PHE A 65 -2.355 0.529 6.106 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.226 0.672 8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.113 2.706 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.897 2.527 9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.742 -0.679 8.971 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.149 2.495 8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.951 -2.243 9.687 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.934 0.923 9.410 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.383 -1.441 9.902 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.936 4.270 -4.103 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.457 3.079 -3.347 1.00 0.00 C ATOM 1005 C GLU A 74 -6.108 2.626 -3.909 1.00 0.00 C ATOM 1006 O GLU A 74 -6.042 1.903 -4.885 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.475 1.943 -3.483 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.938 1.503 -2.092 1.00 0.00 C ATOM 1009 CD GLU A 74 -7.987 0.431 -1.554 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -7.394 -0.265 -2.361 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -7.868 0.326 -0.344 1.00 0.00 O ATOM 0 HA GLU A 74 -7.343 3.339 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.329 2.274 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.028 1.101 -4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.959 2.358 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.954 1.111 -2.142 1.00 0.00 H new ATOM 1018 N THR A 75 -5.030 3.047 -3.305 1.00 0.00 N ATOM 1019 CA THR A 75 -3.688 2.644 -3.804 1.00 0.00 C ATOM 1020 C THR A 75 -3.106 1.556 -2.900 1.00 0.00 C ATOM 1021 O THR A 75 -1.907 1.443 -2.741 1.00 0.00 O ATOM 1022 CB THR A 75 -2.758 3.858 -3.807 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.415 3.428 -3.998 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.876 4.592 -2.472 1.00 0.00 C ATOM 0 H THR A 75 -5.023 3.654 -2.485 1.00 0.00 H new ATOM 0 HA THR A 75 -3.783 2.256 -4.818 1.00 0.00 H new ATOM 0 HB THR A 75 -3.040 4.531 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.375 2.450 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.214 5.458 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.905 4.923 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.594 3.920 -1.661 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.945 0.747 -2.320 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.440 -0.342 -1.439 1.00 0.00 C ATOM 1034 C VAL A 76 -4.173 -1.638 -1.782 1.00 0.00 C ATOM 1035 O VAL A 76 -5.173 -1.634 -2.471 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.674 0.015 0.031 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -3.273 1.469 0.276 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -5.151 -0.175 0.383 1.00 0.00 C ATOM 0 H VAL A 76 -4.959 0.792 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.369 -0.470 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.069 -0.639 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.440 1.721 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.218 1.601 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.874 2.123 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.311 0.081 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.761 0.473 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.434 -1.214 0.216 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.677 -2.750 -1.322 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.341 -4.046 -1.644 1.00 0.00 C ATOM 1050 C GLN A 77 -4.100 -5.044 -0.509 1.00 0.00 C ATOM 1051 O GLN A 77 -3.019 -5.095 0.045 1.00 0.00 O ATOM 1052 CB GLN A 77 -3.762 -4.629 -2.940 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.677 -3.704 -3.518 1.00 0.00 C ATOM 1054 CD GLN A 77 -1.515 -3.570 -2.532 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -1.292 -4.434 -1.708 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -0.764 -2.503 -2.582 1.00 0.00 N ATOM 0 H GLN A 77 -2.843 -2.820 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.409 -3.868 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.339 -5.614 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.559 -4.764 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.315 -4.104 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.100 -2.722 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.953 -1.778 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.011 -2.394 -1.928 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.110 -5.816 -0.197 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.025 -6.829 0.866 1.00 0.00 C ATOM 1067 C PRO A 78 -4.372 -8.113 0.344 1.00 0.00 C ATOM 1068 O PRO A 78 -5.015 -8.946 -0.263 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.489 -7.083 1.232 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.327 -6.661 0.000 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.430 -5.749 -0.858 1.00 0.00 C ATOM 0 HA PRO A 78 -4.420 -6.505 1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.653 -8.134 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.775 -6.507 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.646 -7.535 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.230 -6.135 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.377 -6.098 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.810 -4.728 -0.886 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.107 -8.292 0.602 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.422 -9.550 0.143 1.00 0.00 C ATOM 1081 C GLY A 79 -1.924 -9.434 -1.309 1.00 0.00 C ATOM 1082 O GLY A 79 -1.509 -10.417 -1.892 1.00 0.00 O ATOM 0 H GLY A 79 -2.515 -7.632 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.579 -9.765 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.112 -10.390 0.224 1.00 0.00 H new ATOM 1086 N ASP A 80 -1.947 -8.272 -1.912 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.453 -8.186 -3.322 1.00 0.00 C ATOM 1088 C ASP A 80 -0.009 -8.700 -3.372 1.00 0.00 C ATOM 1089 O ASP A 80 0.724 -8.578 -2.411 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.494 -6.737 -3.809 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.698 -6.552 -4.738 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -3.704 -7.197 -4.502 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -2.592 -5.771 -5.666 1.00 0.00 O ATOM 0 H ASP A 80 -2.278 -7.398 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.091 -8.791 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.567 -6.057 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.572 -6.492 -4.336 1.00 0.00 H new ATOM 1098 N GLU A 81 0.420 -9.272 -4.472 1.00 0.00 N ATOM 1099 CA GLU A 81 1.835 -9.777 -4.525 1.00 0.00 C ATOM 1100 C GLU A 81 2.776 -8.637 -4.933 1.00 0.00 C ATOM 1101 O GLU A 81 3.497 -8.734 -5.907 1.00 0.00 O ATOM 1102 CB GLU A 81 1.973 -10.928 -5.537 1.00 0.00 C ATOM 1103 CG GLU A 81 3.104 -11.857 -5.089 1.00 0.00 C ATOM 1104 CD GLU A 81 4.064 -12.089 -6.258 1.00 0.00 C ATOM 1105 OE1 GLU A 81 4.338 -11.137 -6.971 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.508 -13.212 -6.420 1.00 0.00 O ATOM 0 H GLU A 81 -0.131 -9.411 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 81 2.100 -10.146 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.037 -11.482 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.183 -10.532 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.638 -11.418 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.695 -12.807 -4.746 1.00 0.00 H new ATOM 1113 N ILE A 82 2.789 -7.563 -4.187 1.00 0.00 N ATOM 1114 CA ILE A 82 3.705 -6.422 -4.527 1.00 0.00 C ATOM 1115 C ILE A 82 5.143 -6.956 -4.605 1.00 0.00 C ATOM 1116 O ILE A 82 5.666 -7.475 -3.640 1.00 0.00 O ATOM 1117 CB ILE A 82 3.603 -5.364 -3.429 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.126 -5.192 -3.046 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.163 -4.034 -3.943 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.917 -3.849 -2.347 1.00 0.00 C ATOM 0 H ILE A 82 2.209 -7.422 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 82 3.427 -5.978 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 82 4.177 -5.676 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.502 -5.247 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.816 -6.005 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.089 -3.281 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.208 -4.164 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.591 -3.710 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.866 -3.738 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.527 -3.810 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.209 -3.041 -3.017 1.00 0.00 H new ATOM 1132 N LEU A 83 5.784 -6.866 -5.748 1.00 0.00 N ATOM 1133 CA LEU A 83 7.174 -7.413 -5.851 1.00 0.00 C ATOM 1134 C LEU A 83 8.217 -6.385 -5.372 1.00 0.00 C ATOM 1135 O LEU A 83 9.133 -6.722 -4.647 1.00 0.00 O ATOM 1136 CB LEU A 83 7.480 -7.800 -7.301 1.00 0.00 C ATOM 1137 CG LEU A 83 6.189 -8.199 -8.015 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.733 -7.053 -8.921 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.446 -9.448 -8.861 1.00 0.00 C ATOM 0 H LEU A 83 5.412 -6.445 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 83 7.232 -8.293 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.949 -6.963 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.189 -8.627 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 83 5.413 -8.409 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.812 -7.337 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.555 -6.162 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.507 -6.843 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.528 -9.736 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.220 -9.235 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.774 -10.263 -8.216 1.00 0.00 H new ATOM 1151 N GLN A 84 8.103 -5.145 -5.774 1.00 0.00 N ATOM 1152 CA GLN A 84 9.107 -4.125 -5.339 1.00 0.00 C ATOM 1153 C GLN A 84 8.390 -2.985 -4.620 1.00 0.00 C ATOM 1154 O GLN A 84 7.206 -2.776 -4.795 1.00 0.00 O ATOM 1155 CB GLN A 84 9.821 -3.555 -6.564 1.00 0.00 C ATOM 1156 CG GLN A 84 11.335 -3.710 -6.418 1.00 0.00 C ATOM 1157 CD GLN A 84 12.029 -2.463 -6.968 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.439 -1.404 -7.030 1.00 0.00 O ATOM 1159 NE2 GLN A 84 13.265 -2.547 -7.376 1.00 0.00 N ATOM 0 H GLN A 84 7.362 -4.795 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 84 9.830 -4.595 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.481 -4.069 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.567 -2.502 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.598 -3.853 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.674 -4.595 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.760 -3.437 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.737 -1.722 -7.748 1.00 0.00 H new ATOM 1168 N LEU A 85 9.095 -2.236 -3.819 1.00 0.00 N ATOM 1169 CA LEU A 85 8.446 -1.105 -3.106 1.00 0.00 C ATOM 1170 C LEU A 85 9.162 0.194 -3.490 1.00 0.00 C ATOM 1171 O LEU A 85 9.992 0.208 -4.377 1.00 0.00 O ATOM 1172 CB LEU A 85 8.548 -1.349 -1.601 1.00 0.00 C ATOM 1173 CG LEU A 85 7.157 -1.343 -0.971 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.453 -0.027 -1.287 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.343 -2.512 -1.528 1.00 0.00 C ATOM 0 H LEU A 85 10.090 -2.359 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 85 7.394 -1.026 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.037 -2.305 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.167 -0.578 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 85 7.248 -1.447 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.461 -0.027 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.034 0.802 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.360 0.086 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.349 -2.510 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.253 -2.410 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.845 -3.450 -1.292 1.00 0.00 H new ATOM 1187 N GLY A 86 8.850 1.285 -2.847 1.00 0.00 N ATOM 1188 CA GLY A 86 9.518 2.566 -3.202 1.00 0.00 C ATOM 1189 C GLY A 86 11.029 2.366 -3.230 1.00 0.00 C ATOM 1190 O GLY A 86 11.751 3.110 -3.864 1.00 0.00 O ATOM 0 H GLY A 86 8.164 1.344 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.169 2.912 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.257 3.337 -2.477 1.00 0.00 H new ATOM 1194 N GLY A 87 11.519 1.369 -2.552 1.00 0.00 N ATOM 1195 CA GLY A 87 12.999 1.140 -2.554 1.00 0.00 C ATOM 1196 C GLY A 87 13.314 -0.247 -1.997 1.00 0.00 C ATOM 1197 O GLY A 87 14.167 -0.398 -1.145 1.00 0.00 O ATOM 0 H GLY A 87 10.972 0.707 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.388 1.230 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.494 1.903 -1.954 1.00 0.00 H new ATOM 1201 N THR A 88 12.659 -1.268 -2.481 1.00 0.00 N ATOM 1202 CA THR A 88 12.963 -2.630 -1.981 1.00 0.00 C ATOM 1203 C THR A 88 12.352 -3.655 -2.926 1.00 0.00 C ATOM 1204 O THR A 88 11.242 -3.502 -3.394 1.00 0.00 O ATOM 1205 CB THR A 88 12.423 -2.835 -0.547 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.267 -3.753 0.121 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.005 -3.400 -0.545 1.00 0.00 C ATOM 0 H THR A 88 11.933 -1.214 -3.195 1.00 0.00 H new ATOM 0 HA THR A 88 14.045 -2.758 -1.946 1.00 0.00 H new ATOM 0 HB THR A 88 12.404 -1.865 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.723 -4.370 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.666 -3.528 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.338 -2.711 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.997 -4.365 -1.052 1.00 0.00 H new ATOM 1215 N ALA A 89 13.060 -4.703 -3.186 1.00 0.00 N ATOM 1216 CA ALA A 89 12.524 -5.760 -4.078 1.00 0.00 C ATOM 1217 C ALA A 89 12.208 -7.002 -3.249 1.00 0.00 C ATOM 1218 O ALA A 89 13.085 -7.710 -2.798 1.00 0.00 O ATOM 1219 CB ALA A 89 13.548 -6.086 -5.147 1.00 0.00 C ATOM 0 H ALA A 89 13.995 -4.879 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 89 11.611 -5.412 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.155 -6.863 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.761 -5.191 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.466 -6.439 -4.676 1.00 0.00 H new ATOM 1225 N MET A 90 10.950 -7.252 -3.039 1.00 0.00 N ATOM 1226 CA MET A 90 10.533 -8.428 -2.230 1.00 0.00 C ATOM 1227 C MET A 90 11.234 -9.695 -2.726 1.00 0.00 C ATOM 1228 O MET A 90 11.940 -10.354 -1.989 1.00 0.00 O ATOM 1229 CB MET A 90 9.018 -8.614 -2.362 1.00 0.00 C ATOM 1230 CG MET A 90 8.294 -7.748 -1.328 1.00 0.00 C ATOM 1231 SD MET A 90 8.900 -6.047 -1.419 1.00 0.00 S ATOM 1232 CE MET A 90 10.082 -6.164 -0.057 1.00 0.00 C ATOM 0 H MET A 90 10.182 -6.685 -3.398 1.00 0.00 H new ATOM 0 HA MET A 90 10.806 -8.255 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.696 -8.341 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.758 -9.663 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.220 -7.771 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.457 -8.148 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.790 -5.479 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.093 -7.184 0.328 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.077 -5.901 -0.415 1.00 0.00 H new ATOM 1242 N GLN A 91 11.005 -10.071 -3.955 1.00 0.00 N ATOM 1243 CA GLN A 91 11.625 -11.343 -4.470 1.00 0.00 C ATOM 1244 C GLN A 91 13.082 -11.537 -4.000 1.00 0.00 C ATOM 1245 O GLN A 91 13.517 -12.660 -3.835 1.00 0.00 O ATOM 1246 CB GLN A 91 11.536 -11.411 -6.009 1.00 0.00 C ATOM 1247 CG GLN A 91 10.171 -11.969 -6.442 1.00 0.00 C ATOM 1248 CD GLN A 91 9.676 -11.203 -7.669 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.779 -9.994 -7.729 1.00 0.00 O ATOM 1250 NE2 GLN A 91 9.141 -11.863 -8.660 1.00 0.00 N ATOM 0 H GLN A 91 10.424 -9.565 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 91 11.048 -12.163 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.681 -10.417 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.334 -12.043 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.256 -13.031 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.453 -11.876 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.055 -12.878 -8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.809 -11.364 -9.485 1.00 0.00 H new ATOM 1259 N GLY A 92 13.839 -10.505 -3.743 1.00 0.00 N ATOM 1260 CA GLY A 92 15.219 -10.729 -3.253 1.00 0.00 C ATOM 1261 C GLY A 92 15.252 -10.254 -1.812 1.00 0.00 C ATOM 1262 O GLY A 92 16.112 -9.495 -1.415 1.00 0.00 O ATOM 0 H GLY A 92 13.562 -9.529 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.487 -11.783 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.939 -10.179 -3.859 1.00 0.00 H new ATOM 1266 N LEU A 93 14.290 -10.672 -1.029 1.00 0.00 N ATOM 1267 CA LEU A 93 14.235 -10.215 0.374 1.00 0.00 C ATOM 1268 C LEU A 93 13.437 -11.213 1.208 1.00 0.00 C ATOM 1269 O LEU A 93 12.465 -11.784 0.758 1.00 0.00 O ATOM 1270 CB LEU A 93 13.530 -8.854 0.417 1.00 0.00 C ATOM 1271 CG LEU A 93 14.468 -7.786 0.980 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.181 -8.324 2.221 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.501 -7.405 -0.081 1.00 0.00 C ATOM 0 H LEU A 93 13.545 -11.310 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 93 15.245 -10.134 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.208 -8.572 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.633 -8.921 1.033 1.00 0.00 H new ATOM 0 HG LEU A 93 13.887 -6.906 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.848 -7.559 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.443 -8.590 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.761 -9.207 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.170 -6.644 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.079 -8.286 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.991 -7.013 -0.961 1.00 0.00 H new ATOM 1285 N THR A 94 13.831 -11.404 2.430 1.00 0.00 N ATOM 1286 CA THR A 94 13.089 -12.342 3.318 1.00 0.00 C ATOM 1287 C THR A 94 11.756 -11.690 3.679 1.00 0.00 C ATOM 1288 O THR A 94 11.482 -10.577 3.276 1.00 0.00 O ATOM 1289 CB THR A 94 13.900 -12.605 4.588 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.263 -12.279 4.352 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.785 -14.081 4.971 1.00 0.00 C ATOM 0 H THR A 94 14.638 -10.950 2.858 1.00 0.00 H new ATOM 0 HA THR A 94 12.922 -13.293 2.812 1.00 0.00 H new ATOM 0 HB THR A 94 13.514 -11.990 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.838 -12.945 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.363 -14.268 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.739 -14.330 5.150 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.171 -14.698 4.160 1.00 0.00 H new ATOM 1299 N ARG A 95 10.911 -12.358 4.412 1.00 0.00 N ATOM 1300 CA ARG A 95 9.600 -11.717 4.741 1.00 0.00 C ATOM 1301 C ARG A 95 9.828 -10.515 5.665 1.00 0.00 C ATOM 1302 O ARG A 95 9.458 -9.405 5.340 1.00 0.00 O ATOM 1303 CB ARG A 95 8.624 -12.716 5.394 1.00 0.00 C ATOM 1304 CG ARG A 95 7.202 -12.348 4.981 1.00 0.00 C ATOM 1305 CD ARG A 95 7.120 -12.374 3.455 1.00 0.00 C ATOM 1306 NE ARG A 95 7.915 -13.522 2.943 1.00 0.00 N ATOM 1307 CZ ARG A 95 8.466 -13.461 1.763 1.00 0.00 C ATOM 1308 NH1 ARG A 95 7.718 -13.404 0.694 1.00 0.00 N ATOM 1309 NH2 ARG A 95 9.766 -13.465 1.651 1.00 0.00 N ATOM 0 H ARG A 95 11.060 -13.293 4.790 1.00 0.00 H new ATOM 0 HA ARG A 95 9.147 -11.379 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.858 -13.733 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.722 -12.687 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.488 -13.051 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.942 -11.359 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.082 -12.464 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.500 -11.440 3.042 1.00 0.00 H new ATOM 0 HE ARG A 95 8.029 -14.358 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.702 -13.407 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.150 -13.356 -0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.350 -13.516 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.199 -13.417 0.728 1.00 0.00 H new ATOM 1323 N PHE A 96 10.436 -10.707 6.804 1.00 0.00 N ATOM 1324 CA PHE A 96 10.674 -9.547 7.708 1.00 0.00 C ATOM 1325 C PHE A 96 11.742 -8.636 7.093 1.00 0.00 C ATOM 1326 O PHE A 96 11.571 -7.437 7.004 1.00 0.00 O ATOM 1327 CB PHE A 96 11.145 -10.050 9.074 1.00 0.00 C ATOM 1328 CG PHE A 96 9.969 -10.617 9.832 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.091 -9.761 10.509 1.00 0.00 C ATOM 1330 CD2 PHE A 96 9.754 -12.000 9.855 1.00 0.00 C ATOM 1331 CE1 PHE A 96 7.998 -10.289 11.209 1.00 0.00 C ATOM 1332 CE2 PHE A 96 8.661 -12.528 10.556 1.00 0.00 C ATOM 1333 CZ PHE A 96 7.784 -11.673 11.232 1.00 0.00 C ATOM 0 H PHE A 96 10.775 -11.607 7.145 1.00 0.00 H new ATOM 0 HA PHE A 96 9.749 -8.985 7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.913 -10.813 8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.596 -9.234 9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.256 -8.694 10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.430 -12.660 9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.321 -9.629 11.731 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.496 -13.595 10.574 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.942 -12.080 11.772 1.00 0.00 H new ATOM 1343 N GLU A 97 12.842 -9.196 6.665 1.00 0.00 N ATOM 1344 CA GLU A 97 13.917 -8.369 6.055 1.00 0.00 C ATOM 1345 C GLU A 97 13.342 -7.498 4.937 1.00 0.00 C ATOM 1346 O GLU A 97 13.847 -6.432 4.656 1.00 0.00 O ATOM 1347 CB GLU A 97 14.995 -9.290 5.485 1.00 0.00 C ATOM 1348 CG GLU A 97 15.461 -10.259 6.573 1.00 0.00 C ATOM 1349 CD GLU A 97 16.806 -9.792 7.131 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.090 -8.611 7.025 1.00 0.00 O ATOM 1351 OE2 GLU A 97 17.529 -10.624 7.654 1.00 0.00 O ATOM 0 H GLU A 97 13.041 -10.195 6.713 1.00 0.00 H new ATOM 0 HA GLU A 97 14.349 -7.721 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.602 -9.844 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.837 -8.701 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.721 -10.308 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.555 -11.265 6.163 1.00 0.00 H new ATOM 1358 N ALA A 98 12.302 -7.938 4.287 1.00 0.00 N ATOM 1359 CA ALA A 98 11.724 -7.124 3.180 1.00 0.00 C ATOM 1360 C ALA A 98 11.115 -5.830 3.717 1.00 0.00 C ATOM 1361 O ALA A 98 11.530 -4.741 3.371 1.00 0.00 O ATOM 1362 CB ALA A 98 10.638 -7.933 2.473 1.00 0.00 C ATOM 0 H ALA A 98 11.828 -8.822 4.472 1.00 0.00 H new ATOM 0 HA ALA A 98 12.522 -6.871 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.213 -7.341 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.072 -8.847 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.854 -8.190 3.185 1.00 0.00 H new ATOM 1368 N TRP A 99 10.115 -5.944 4.532 1.00 0.00 N ATOM 1369 CA TRP A 99 9.441 -4.718 5.074 1.00 0.00 C ATOM 1370 C TRP A 99 10.450 -3.773 5.749 1.00 0.00 C ATOM 1371 O TRP A 99 10.136 -2.634 6.033 1.00 0.00 O ATOM 1372 CB TRP A 99 8.371 -5.144 6.088 1.00 0.00 C ATOM 1373 CG TRP A 99 7.586 -3.955 6.533 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.246 -3.684 7.813 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.032 -2.877 5.726 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.521 -2.506 7.844 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.363 -1.971 6.582 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.046 -2.600 4.351 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.732 -0.831 6.087 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.416 -1.458 3.849 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.760 -0.573 4.714 1.00 0.00 C ATOM 0 H TRP A 99 9.726 -6.830 4.854 1.00 0.00 H new ATOM 0 HA TRP A 99 8.983 -4.178 4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.706 -5.882 5.639 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.842 -5.621 6.947 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.499 -4.288 8.671 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.149 -2.085 8.695 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.548 -3.275 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.226 -0.153 6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.435 -1.257 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.276 0.308 4.320 1.00 0.00 H new ATOM 1392 N ASN A 100 11.647 -4.219 6.019 1.00 0.00 N ATOM 1393 CA ASN A 100 12.635 -3.315 6.683 1.00 0.00 C ATOM 1394 C ASN A 100 13.303 -2.381 5.655 1.00 0.00 C ATOM 1395 O ASN A 100 13.384 -1.187 5.866 1.00 0.00 O ATOM 1396 CB ASN A 100 13.701 -4.155 7.396 1.00 0.00 C ATOM 1397 CG ASN A 100 13.046 -4.952 8.525 1.00 0.00 C ATOM 1398 OD1 ASN A 100 12.156 -4.461 9.193 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.451 -6.168 8.773 1.00 0.00 N ATOM 0 H ASN A 100 11.983 -5.160 5.812 1.00 0.00 H new ATOM 0 HA ASN A 100 12.108 -2.699 7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.180 -4.832 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.481 -3.508 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.021 -6.705 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.197 -6.581 8.214 1.00 0.00 H new ATOM 1406 N ILE A 101 13.786 -2.899 4.551 1.00 0.00 N ATOM 1407 CA ILE A 101 14.443 -2.017 3.539 1.00 0.00 C ATOM 1408 C ILE A 101 13.530 -0.847 3.192 1.00 0.00 C ATOM 1409 O ILE A 101 13.969 0.275 3.035 1.00 0.00 O ATOM 1410 CB ILE A 101 14.698 -2.815 2.268 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.775 -3.847 2.527 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.121 -1.881 1.140 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.082 -5.172 2.800 1.00 0.00 C ATOM 0 H ILE A 101 13.753 -3.889 4.309 1.00 0.00 H new ATOM 0 HA ILE A 101 15.380 -1.644 3.953 1.00 0.00 H new ATOM 0 HB ILE A 101 13.781 -3.323 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.439 -3.932 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.390 -3.554 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.301 -2.461 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.330 -1.154 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.035 -1.358 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.830 -5.941 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.434 -5.071 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.484 -5.455 1.934 1.00 0.00 H new ATOM 1425 N ILE A 102 12.264 -1.105 3.063 1.00 0.00 N ATOM 1426 CA ILE A 102 11.316 -0.015 2.714 1.00 0.00 C ATOM 1427 C ILE A 102 11.365 1.048 3.806 1.00 0.00 C ATOM 1428 O ILE A 102 11.789 2.163 3.597 1.00 0.00 O ATOM 1429 CB ILE A 102 9.926 -0.620 2.655 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.696 -1.267 1.315 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.842 0.428 2.916 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.453 -2.738 1.599 1.00 0.00 C ATOM 0 H ILE A 102 11.842 -2.026 3.184 1.00 0.00 H new ATOM 0 HA ILE A 102 11.574 0.441 1.758 1.00 0.00 H new ATOM 0 HB ILE A 102 9.863 -1.374 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.841 -0.821 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.559 -1.133 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.860 -0.043 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.986 0.861 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.906 1.213 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.278 -3.266 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.325 -3.161 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.580 -2.845 2.243 1.00 0.00 H new ATOM 1444 N LYS A 103 10.916 0.695 4.972 1.00 0.00 N ATOM 1445 CA LYS A 103 10.907 1.668 6.107 1.00 0.00 C ATOM 1446 C LYS A 103 12.201 2.485 6.120 1.00 0.00 C ATOM 1447 O LYS A 103 12.237 3.603 6.593 1.00 0.00 O ATOM 1448 CB LYS A 103 10.791 0.905 7.430 1.00 0.00 C ATOM 1449 CG LYS A 103 9.501 0.088 7.443 1.00 0.00 C ATOM 1450 CD LYS A 103 8.382 0.909 8.084 1.00 0.00 C ATOM 1451 CE LYS A 103 8.318 0.600 9.581 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.496 1.860 10.358 1.00 0.00 N ATOM 0 H LYS A 103 10.551 -0.231 5.195 1.00 0.00 H new ATOM 0 HA LYS A 103 10.058 2.341 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.651 0.247 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.798 1.605 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.225 -0.191 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.650 -0.838 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.562 1.973 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.428 0.675 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.361 0.141 9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.094 -0.117 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.452 1.649 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.420 2.280 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.740 2.530 10.111 1.00 0.00 H new ATOM 1466 N ALA A 104 13.264 1.925 5.624 1.00 0.00 N ATOM 1467 CA ALA A 104 14.571 2.653 5.624 1.00 0.00 C ATOM 1468 C ALA A 104 14.689 3.569 4.403 1.00 0.00 C ATOM 1469 O ALA A 104 15.715 4.180 4.173 1.00 0.00 O ATOM 1470 CB ALA A 104 15.709 1.638 5.579 1.00 0.00 C ATOM 0 H ALA A 104 13.290 0.991 5.216 1.00 0.00 H new ATOM 0 HA ALA A 104 14.626 3.259 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.665 2.162 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.652 0.988 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.625 1.037 4.674 1.00 0.00 H new ATOM 1476 N LEU A 105 13.666 3.659 3.611 1.00 0.00 N ATOM 1477 CA LEU A 105 13.731 4.517 2.402 1.00 0.00 C ATOM 1478 C LEU A 105 13.467 5.983 2.792 1.00 0.00 C ATOM 1479 O LEU A 105 13.273 6.284 3.953 1.00 0.00 O ATOM 1480 CB LEU A 105 12.703 3.994 1.391 1.00 0.00 C ATOM 1481 CG LEU A 105 11.361 4.703 1.562 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.378 4.168 0.520 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.799 4.448 2.963 1.00 0.00 C ATOM 0 H LEU A 105 12.780 3.172 3.749 1.00 0.00 H new ATOM 0 HA LEU A 105 14.720 4.480 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.073 4.147 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.571 2.920 1.523 1.00 0.00 H new ATOM 0 HG LEU A 105 11.505 5.775 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.417 4.669 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.769 4.358 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.247 3.095 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.842 4.960 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.656 3.377 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.498 4.825 3.710 1.00 0.00 H new ATOM 1495 N PRO A 106 13.496 6.855 1.811 1.00 0.00 N ATOM 1496 CA PRO A 106 13.292 8.303 2.024 1.00 0.00 C ATOM 1497 C PRO A 106 11.804 8.641 2.187 1.00 0.00 C ATOM 1498 O PRO A 106 10.940 7.818 1.962 1.00 0.00 O ATOM 1499 CB PRO A 106 13.858 8.932 0.747 1.00 0.00 C ATOM 1500 CG PRO A 106 13.823 7.830 -0.337 1.00 0.00 C ATOM 1501 CD PRO A 106 13.730 6.482 0.402 1.00 0.00 C ATOM 0 HA PRO A 106 13.773 8.667 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.264 9.794 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.876 9.286 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.969 7.967 -1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.718 7.870 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.917 5.870 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.647 5.903 0.291 1.00 0.00 H new ATOM 1509 N ASP A 107 11.503 9.853 2.582 1.00 0.00 N ATOM 1510 CA ASP A 107 10.076 10.257 2.766 1.00 0.00 C ATOM 1511 C ASP A 107 9.574 10.982 1.511 1.00 0.00 C ATOM 1512 O ASP A 107 9.642 12.191 1.410 1.00 0.00 O ATOM 1513 CB ASP A 107 9.964 11.191 3.974 1.00 0.00 C ATOM 1514 CG ASP A 107 10.845 10.667 5.110 1.00 0.00 C ATOM 1515 OD1 ASP A 107 11.081 9.471 5.147 1.00 0.00 O ATOM 1516 OD2 ASP A 107 11.271 11.472 5.922 1.00 0.00 O ATOM 0 H ASP A 107 12.187 10.582 2.785 1.00 0.00 H new ATOM 0 HA ASP A 107 9.469 9.367 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.272 12.199 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.927 11.253 4.303 1.00 0.00 H new ATOM 1521 N GLY A 108 9.070 10.251 0.557 1.00 0.00 N ATOM 1522 CA GLY A 108 8.556 10.891 -0.698 1.00 0.00 C ATOM 1523 C GLY A 108 7.557 9.950 -1.396 1.00 0.00 C ATOM 1524 O GLY A 108 6.727 9.345 -0.750 1.00 0.00 O ATOM 0 H GLY A 108 8.989 9.235 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.072 11.838 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.386 11.116 -1.368 1.00 0.00 H new ATOM 1528 N PRO A 109 7.661 9.864 -2.701 1.00 0.00 N ATOM 1529 CA PRO A 109 6.781 9.008 -3.521 1.00 0.00 C ATOM 1530 C PRO A 109 7.275 7.557 -3.519 1.00 0.00 C ATOM 1531 O PRO A 109 8.173 7.202 -4.257 1.00 0.00 O ATOM 1532 CB PRO A 109 6.912 9.609 -4.924 1.00 0.00 C ATOM 1533 CG PRO A 109 8.260 10.369 -4.952 1.00 0.00 C ATOM 1534 CD PRO A 109 8.661 10.619 -3.485 1.00 0.00 C ATOM 0 HA PRO A 109 5.755 8.982 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.891 8.828 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.082 10.283 -5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.023 9.785 -5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.162 11.311 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.673 10.267 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.638 11.681 -3.242 1.00 0.00 H new ATOM 1542 N VAL A 110 6.684 6.706 -2.721 1.00 0.00 N ATOM 1543 CA VAL A 110 7.115 5.288 -2.715 1.00 0.00 C ATOM 1544 C VAL A 110 6.301 4.565 -3.771 1.00 0.00 C ATOM 1545 O VAL A 110 5.094 4.515 -3.708 1.00 0.00 O ATOM 1546 CB VAL A 110 6.865 4.665 -1.344 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.545 5.155 -0.773 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.805 3.142 -1.456 1.00 0.00 C ATOM 0 H VAL A 110 5.926 6.936 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 110 8.181 5.211 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 110 7.685 4.958 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.381 4.702 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.573 6.240 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.732 4.875 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.626 2.711 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.995 2.858 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.751 2.769 -1.849 1.00 0.00 H new ATOM 1558 N THR A 111 6.954 4.034 -4.752 1.00 0.00 N ATOM 1559 CA THR A 111 6.213 3.346 -5.837 1.00 0.00 C ATOM 1560 C THR A 111 6.019 1.869 -5.506 1.00 0.00 C ATOM 1561 O THR A 111 6.954 1.153 -5.209 1.00 0.00 O ATOM 1562 CB THR A 111 6.993 3.479 -7.146 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.726 4.696 -7.135 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.018 3.478 -8.324 1.00 0.00 C ATOM 0 H THR A 111 7.969 4.044 -4.853 1.00 0.00 H new ATOM 0 HA THR A 111 5.232 3.810 -5.940 1.00 0.00 H new ATOM 0 HB THR A 111 7.682 2.640 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.228 4.783 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.574 3.573 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.456 2.544 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.328 4.316 -8.226 1.00 0.00 H new ATOM 1572 N ILE A 112 4.802 1.412 -5.573 1.00 0.00 N ATOM 1573 CA ILE A 112 4.509 -0.011 -5.288 1.00 0.00 C ATOM 1574 C ILE A 112 4.141 -0.699 -6.596 1.00 0.00 C ATOM 1575 O ILE A 112 3.657 -0.072 -7.518 1.00 0.00 O ATOM 1576 CB ILE A 112 3.322 -0.106 -4.329 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.383 1.079 -4.550 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.820 -0.099 -2.884 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.117 0.877 -3.729 1.00 0.00 C ATOM 0 H ILE A 112 3.988 1.976 -5.817 1.00 0.00 H new ATOM 0 HA ILE A 112 5.380 -0.486 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 112 2.784 -1.035 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.875 2.007 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.134 1.168 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.969 -0.167 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.481 -0.950 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.365 0.825 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.444 1.721 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.623 -0.043 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.376 0.809 -2.672 1.00 0.00 H new ATOM 1591 N VAL A 113 4.339 -1.980 -6.693 1.00 0.00 N ATOM 1592 CA VAL A 113 3.968 -2.674 -7.948 1.00 0.00 C ATOM 1593 C VAL A 113 3.219 -3.942 -7.582 1.00 0.00 C ATOM 1594 O VAL A 113 3.804 -4.966 -7.288 1.00 0.00 O ATOM 1595 CB VAL A 113 5.210 -3.040 -8.755 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.918 -2.857 -10.246 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.384 -2.143 -8.353 1.00 0.00 C ATOM 0 H VAL A 113 4.738 -2.571 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 113 3.348 -2.015 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 113 5.472 -4.079 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.804 -3.118 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.091 -3.504 -10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.651 -1.818 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.265 -2.414 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.128 -1.101 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.596 -2.275 -7.292 1.00 0.00 H new ATOM 1607 N ILE A 114 1.929 -3.877 -7.589 1.00 0.00 N ATOM 1608 CA ILE A 114 1.126 -5.072 -7.231 1.00 0.00 C ATOM 1609 C ILE A 114 0.716 -5.808 -8.500 1.00 0.00 C ATOM 1610 O ILE A 114 0.270 -5.217 -9.463 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.120 -4.643 -6.450 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.152 -4.034 -7.402 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.274 -3.599 -5.404 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -1.964 -5.148 -8.065 1.00 0.00 C ATOM 0 H ILE A 114 1.389 -3.046 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 114 1.724 -5.737 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.553 -5.516 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.815 -3.364 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.651 -3.435 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.610 -3.291 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.004 -4.029 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.709 -2.732 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.698 -4.710 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.296 -5.800 -8.627 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.478 -5.729 -7.299 1.00 0.00 H new ATOM 1626 N ARG A 115 0.852 -7.100 -8.499 1.00 0.00 N ATOM 1627 CA ARG A 115 0.456 -7.891 -9.692 1.00 0.00 C ATOM 1628 C ARG A 115 -0.371 -9.080 -9.206 1.00 0.00 C ATOM 1629 O ARG A 115 0.164 -10.074 -8.757 1.00 0.00 O ATOM 1630 CB ARG A 115 1.703 -8.393 -10.430 1.00 0.00 C ATOM 1631 CG ARG A 115 1.302 -9.493 -11.415 1.00 0.00 C ATOM 1632 CD ARG A 115 2.178 -9.404 -12.665 1.00 0.00 C ATOM 1633 NE ARG A 115 3.191 -10.496 -12.638 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.776 -10.868 -13.743 1.00 0.00 C ATOM 1635 NH1 ARG A 115 3.057 -11.161 -14.793 1.00 0.00 N ATOM 1636 NH2 ARG A 115 5.077 -10.947 -13.799 1.00 0.00 N ATOM 0 H ARG A 115 1.222 -7.645 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.123 -7.275 -10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.180 -7.570 -10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.432 -8.777 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.414 -10.472 -10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.252 -9.388 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.562 -9.486 -13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.674 -8.434 -12.707 1.00 0.00 H new ATOM 0 HE ARG A 115 3.427 -10.952 -11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.040 -11.099 -14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.513 -11.452 -15.658 1.00 0.00 H new ATOM 0 HH21 ARG A 115 5.638 -10.718 -12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.534 -11.238 -14.663 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.667 -8.981 -9.265 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.509 -10.105 -8.776 1.00 0.00 C ATOM 1652 C ARG A 116 -2.782 -11.082 -9.927 1.00 0.00 C ATOM 1653 O ARG A 116 -2.850 -10.698 -11.078 1.00 0.00 O ATOM 1654 CB ARG A 116 -3.827 -9.544 -8.206 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.937 -9.552 -9.266 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.772 -10.826 -9.118 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.437 -10.833 -7.783 1.00 0.00 N ATOM 1658 CZ ARG A 116 -5.924 -11.523 -6.800 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -5.780 -12.815 -6.914 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -5.555 -10.920 -5.703 1.00 0.00 N ATOM 0 H ARG A 116 -2.178 -8.176 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 116 -1.988 -10.644 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.137 -10.138 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.668 -8.526 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.571 -8.673 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.502 -9.503 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.520 -10.877 -9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.136 -11.705 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.293 -10.298 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.068 -13.287 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.379 -13.353 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -5.667 -9.910 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.154 -11.459 -4.935 1.00 0.00 H new