USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 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 Single : A 29 THR OG1 : rot -22:sc= 0.822 USER MOD Single : A 31 CYS SG : rot 180:sc= -4.89! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= -0.447! (180deg=-0.668!) USER MOD Single : A 45 SER OG : rot -90:sc= -0.49 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.89! C(o=-3.9!,f=-2.7!) USER MOD Single : A 75 THR OG1 : rot -150:sc= -4.01! USER MOD Single : A 77 GLN : amide:sc= -7.65! C(o=-7.6!,f=-6.4!) USER MOD Single : A 84 GLN : amide:sc= -4.52! K(o=-4.5!,f=-1.3) USER MOD Single : A 88 THR OG1 : rot -145:sc= -2.67! USER MOD Single : A 90 MET CE :methyl 148:sc= -11.8! (180deg=-16.2!) USER MOD Single : A 91 GLN : amide:sc= -1.57! K(o=-1.6!,f=-1) USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.0459 USER MOD Single : A 100 ASN : amide:sc= 1.13 K(o=1.1,f=-0.097) USER MOD Single : A 103 LYS NZ :NH3+ -153:sc= -0.189 (180deg=-1.11) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -3.538 -9.284 -13.471 1.00 0.00 N ATOM 350 CA THR A 29 -3.807 -7.816 -13.470 1.00 0.00 C ATOM 351 C THR A 29 -2.748 -7.111 -12.621 1.00 0.00 C ATOM 352 O THR A 29 -2.418 -7.549 -11.536 1.00 0.00 O ATOM 353 CB THR A 29 -5.194 -7.543 -12.883 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.518 -8.554 -11.939 1.00 0.00 O ATOM 355 CG2 THR A 29 -6.234 -7.533 -14.004 1.00 0.00 C ATOM 0 HA THR A 29 -3.770 -7.441 -14.493 1.00 0.00 H new ATOM 0 HB THR A 29 -5.192 -6.573 -12.386 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.977 -9.352 -12.116 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.221 -7.338 -13.583 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.986 -6.753 -14.723 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.238 -8.501 -14.505 1.00 0.00 H new ATOM 363 N VAL A 30 -2.206 -6.027 -13.105 1.00 0.00 N ATOM 364 CA VAL A 30 -1.162 -5.303 -12.323 1.00 0.00 C ATOM 365 C VAL A 30 -1.670 -3.908 -11.953 1.00 0.00 C ATOM 366 O VAL A 30 -2.463 -3.315 -12.656 1.00 0.00 O ATOM 367 CB VAL A 30 0.111 -5.171 -13.172 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.005 -4.056 -12.616 1.00 0.00 C ATOM 369 CG2 VAL A 30 0.881 -6.491 -13.145 1.00 0.00 C ATOM 0 H VAL A 30 -2.440 -5.611 -14.007 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.941 -5.861 -11.413 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.172 -4.927 -14.196 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.904 -3.972 -13.226 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.463 -3.111 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.284 -4.292 -11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.785 -6.398 -13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.153 -6.732 -12.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.255 -7.286 -13.551 1.00 0.00 H new ATOM 379 N CYS A 31 -1.200 -3.379 -10.859 1.00 0.00 N ATOM 380 CA CYS A 31 -1.638 -2.012 -10.446 1.00 0.00 C ATOM 381 C CYS A 31 -0.443 -1.242 -9.872 1.00 0.00 C ATOM 382 O CYS A 31 -0.201 -1.247 -8.682 1.00 0.00 O ATOM 383 CB CYS A 31 -2.738 -2.112 -9.384 1.00 0.00 C ATOM 384 SG CYS A 31 -3.787 -3.547 -9.725 1.00 0.00 S ATOM 0 H CYS A 31 -0.533 -3.830 -10.233 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.029 -1.486 -11.317 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.293 -2.202 -8.393 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.339 -1.203 -9.382 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.717 -3.629 -8.821 1.00 0.00 H new ATOM 390 N THR A 32 0.306 -0.580 -10.715 1.00 0.00 N ATOM 391 CA THR A 32 1.487 0.194 -10.229 1.00 0.00 C ATOM 392 C THR A 32 1.004 1.435 -9.469 1.00 0.00 C ATOM 393 O THR A 32 0.136 2.149 -9.929 1.00 0.00 O ATOM 394 CB THR A 32 2.335 0.619 -11.430 1.00 0.00 C ATOM 395 OG1 THR A 32 2.320 -0.413 -12.409 1.00 0.00 O ATOM 396 CG2 THR A 32 3.773 0.874 -10.978 1.00 0.00 C ATOM 0 H THR A 32 0.150 -0.542 -11.722 1.00 0.00 H new ATOM 0 HA THR A 32 2.087 -0.424 -9.561 1.00 0.00 H new ATOM 0 HB THR A 32 1.924 1.533 -11.859 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.861 -0.141 -13.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.375 1.177 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.784 1.666 -10.229 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.186 -0.038 -10.548 1.00 0.00 H new ATOM 404 N VAL A 33 1.533 1.684 -8.296 1.00 0.00 N ATOM 405 CA VAL A 33 1.064 2.861 -7.509 1.00 0.00 C ATOM 406 C VAL A 33 2.184 3.422 -6.620 1.00 0.00 C ATOM 407 O VAL A 33 3.127 2.738 -6.280 1.00 0.00 O ATOM 408 CB VAL A 33 -0.081 2.421 -6.595 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.397 2.983 -7.120 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.167 0.889 -6.537 1.00 0.00 C ATOM 0 H VAL A 33 2.264 1.126 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 33 0.745 3.631 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 33 0.109 2.800 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.212 2.669 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.346 4.072 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.575 2.611 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.987 0.595 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.344 0.496 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.769 0.486 -6.149 1.00 0.00 H new ATOM 420 N THR A 34 2.056 4.661 -6.202 1.00 0.00 N ATOM 421 CA THR A 34 3.066 5.263 -5.291 1.00 0.00 C ATOM 422 C THR A 34 2.410 5.481 -3.927 1.00 0.00 C ATOM 423 O THR A 34 1.304 5.975 -3.841 1.00 0.00 O ATOM 424 CB THR A 34 3.543 6.614 -5.826 1.00 0.00 C ATOM 425 OG1 THR A 34 2.529 7.202 -6.625 1.00 0.00 O ATOM 426 CG2 THR A 34 4.829 6.440 -6.635 1.00 0.00 C ATOM 0 H THR A 34 1.287 5.280 -6.459 1.00 0.00 H new ATOM 0 HA THR A 34 3.923 4.594 -5.215 1.00 0.00 H new ATOM 0 HB THR A 34 3.753 7.274 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.840 8.068 -6.963 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.157 7.410 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.605 6.016 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.643 5.771 -7.475 1.00 0.00 H new ATOM 434 N LEU A 35 3.060 5.109 -2.860 1.00 0.00 N ATOM 435 CA LEU A 35 2.418 5.302 -1.521 1.00 0.00 C ATOM 436 C LEU A 35 3.156 6.351 -0.694 1.00 0.00 C ATOM 437 O LEU A 35 3.726 6.057 0.334 1.00 0.00 O ATOM 438 CB LEU A 35 2.410 3.992 -0.774 1.00 0.00 C ATOM 439 CG LEU A 35 1.135 3.232 -1.135 1.00 0.00 C ATOM 440 CD1 LEU A 35 1.162 1.845 -0.500 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.077 4.011 -0.617 1.00 0.00 C ATOM 0 H LEU A 35 3.989 4.688 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 35 1.398 5.651 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.289 3.402 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.453 4.169 0.301 1.00 0.00 H new ATOM 0 HG LEU A 35 1.069 3.126 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.250 1.308 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.027 1.293 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.228 1.942 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.991 3.474 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.007 4.115 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.097 4.999 -1.076 1.00 0.00 H new ATOM 453 N GLU A 36 3.111 7.566 -1.151 1.00 0.00 N ATOM 454 CA GLU A 36 3.781 8.717 -0.458 1.00 0.00 C ATOM 455 C GLU A 36 4.151 8.374 0.989 1.00 0.00 C ATOM 456 O GLU A 36 3.314 8.363 1.869 1.00 0.00 O ATOM 457 CB GLU A 36 2.833 9.916 -0.458 1.00 0.00 C ATOM 458 CG GLU A 36 1.440 9.462 -0.017 1.00 0.00 C ATOM 459 CD GLU A 36 0.582 10.683 0.316 1.00 0.00 C ATOM 460 OE1 GLU A 36 0.302 11.450 -0.592 1.00 0.00 O ATOM 461 OE2 GLU A 36 0.221 10.833 1.471 1.00 0.00 O ATOM 0 H GLU A 36 2.622 7.827 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 36 4.701 8.947 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.206 10.688 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.786 10.356 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.969 8.880 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.518 8.811 0.854 1.00 0.00 H new ATOM 468 N LYS A 37 5.407 8.105 1.242 1.00 0.00 N ATOM 469 CA LYS A 37 5.827 7.777 2.640 1.00 0.00 C ATOM 470 C LYS A 37 5.958 9.076 3.438 1.00 0.00 C ATOM 471 O LYS A 37 6.748 9.938 3.110 1.00 0.00 O ATOM 472 CB LYS A 37 7.180 7.043 2.655 1.00 0.00 C ATOM 473 CG LYS A 37 7.501 6.634 4.090 1.00 0.00 C ATOM 474 CD LYS A 37 8.616 7.524 4.645 1.00 0.00 C ATOM 475 CE LYS A 37 9.382 6.764 5.730 1.00 0.00 C ATOM 476 NZ LYS A 37 10.847 6.949 5.529 1.00 0.00 N ATOM 0 H LYS A 37 6.155 8.098 0.548 1.00 0.00 H new ATOM 0 HA LYS A 37 5.074 7.126 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.140 6.164 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.965 7.690 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.610 6.722 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.808 5.589 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.294 7.818 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.193 8.440 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.091 7.126 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.130 5.704 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.361 6.563 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.145 6.450 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.059 7.963 5.433 1.00 0.00 H new ATOM 528 N GLY A 41 4.097 4.413 8.078 1.00 0.00 N ATOM 529 CA GLY A 41 4.834 3.453 7.207 1.00 0.00 C ATOM 530 C GLY A 41 3.958 3.071 6.013 1.00 0.00 C ATOM 531 O GLY A 41 3.381 2.003 5.968 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.765 3.901 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.102 2.562 7.775 1.00 0.00 H new ATOM 535 N LEU A 42 3.860 3.937 5.036 1.00 0.00 N ATOM 536 CA LEU A 42 3.026 3.635 3.827 1.00 0.00 C ATOM 537 C LEU A 42 1.691 3.019 4.227 1.00 0.00 C ATOM 538 O LEU A 42 1.036 2.380 3.429 1.00 0.00 O ATOM 539 CB LEU A 42 3.746 2.654 2.894 1.00 0.00 C ATOM 540 CG LEU A 42 5.225 2.533 3.259 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.759 1.206 2.736 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.008 3.682 2.625 1.00 0.00 C ATOM 0 H LEU A 42 4.323 4.846 5.022 1.00 0.00 H new ATOM 0 HA LEU A 42 2.858 4.580 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.272 1.674 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.649 2.991 1.862 1.00 0.00 H new ATOM 0 HG LEU A 42 5.339 2.577 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.814 1.112 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.201 0.386 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.644 1.169 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.062 3.592 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.899 3.642 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.622 4.632 2.994 1.00 0.00 H new ATOM 554 N GLY A 43 1.275 3.195 5.442 1.00 0.00 N ATOM 555 CA GLY A 43 -0.020 2.607 5.862 1.00 0.00 C ATOM 556 C GLY A 43 -0.129 1.162 5.364 1.00 0.00 C ATOM 557 O GLY A 43 -1.210 0.623 5.271 1.00 0.00 O ATOM 0 H GLY A 43 1.773 3.719 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.104 2.633 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.844 3.200 5.464 1.00 0.00 H new ATOM 561 N PHE A 44 0.964 0.512 5.044 1.00 0.00 N ATOM 562 CA PHE A 44 0.844 -0.893 4.575 1.00 0.00 C ATOM 563 C PHE A 44 2.061 -1.715 5.022 1.00 0.00 C ATOM 564 O PHE A 44 3.194 -1.285 4.931 1.00 0.00 O ATOM 565 CB PHE A 44 0.676 -0.927 3.043 1.00 0.00 C ATOM 566 CG PHE A 44 2.011 -1.029 2.331 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.775 -2.201 2.416 1.00 0.00 C ATOM 568 CD2 PHE A 44 2.471 0.048 1.567 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.994 -2.293 1.741 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.693 -0.044 0.894 1.00 0.00 C ATOM 571 CZ PHE A 44 4.453 -1.214 0.980 1.00 0.00 C ATOM 0 H PHE A 44 1.911 0.888 5.087 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.042 -1.343 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.050 -1.775 2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.157 -0.027 2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.420 -3.034 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.882 0.951 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.582 -3.197 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.050 0.789 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.396 -1.284 0.458 1.00 0.00 H new ATOM 581 N SER A 45 1.811 -2.902 5.497 1.00 0.00 N ATOM 582 CA SER A 45 2.910 -3.808 5.960 1.00 0.00 C ATOM 583 C SER A 45 2.978 -5.026 5.027 1.00 0.00 C ATOM 584 O SER A 45 1.962 -5.535 4.588 1.00 0.00 O ATOM 585 CB SER A 45 2.616 -4.276 7.385 1.00 0.00 C ATOM 586 OG SER A 45 1.228 -4.122 7.651 1.00 0.00 O ATOM 0 H SER A 45 0.874 -3.294 5.587 1.00 0.00 H new ATOM 0 HA SER A 45 3.861 -3.275 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.908 -5.319 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.202 -3.697 8.099 1.00 0.00 H new ATOM 0 HG SER A 45 1.064 -3.232 8.026 1.00 0.00 H new ATOM 592 N LEU A 46 4.166 -5.486 4.714 1.00 0.00 N ATOM 593 CA LEU A 46 4.307 -6.663 3.787 1.00 0.00 C ATOM 594 C LEU A 46 4.456 -7.970 4.566 1.00 0.00 C ATOM 595 O LEU A 46 5.175 -8.042 5.542 1.00 0.00 O ATOM 596 CB LEU A 46 5.551 -6.474 2.909 1.00 0.00 C ATOM 597 CG LEU A 46 5.144 -6.249 1.447 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.908 -5.350 1.373 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.303 -5.578 0.708 1.00 0.00 C ATOM 0 H LEU A 46 5.045 -5.100 5.058 1.00 0.00 H new ATOM 0 HA LEU A 46 3.407 -6.719 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.131 -5.623 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.193 -7.351 2.984 1.00 0.00 H new ATOM 0 HG LEU A 46 4.909 -7.209 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.630 -5.199 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.082 -5.823 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.130 -4.387 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.024 -5.413 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.529 -4.621 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.182 -6.221 0.751 1.00 0.00 H new ATOM 611 N GLU A 47 3.800 -9.024 4.129 1.00 0.00 N ATOM 612 CA GLU A 47 3.948 -10.322 4.848 1.00 0.00 C ATOM 613 C GLU A 47 3.701 -11.489 3.895 1.00 0.00 C ATOM 614 O GLU A 47 3.028 -11.365 2.891 1.00 0.00 O ATOM 615 CB GLU A 47 2.961 -10.407 6.005 1.00 0.00 C ATOM 616 CG GLU A 47 3.237 -9.278 6.994 1.00 0.00 C ATOM 617 CD GLU A 47 2.386 -9.480 8.250 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.222 -9.816 8.105 1.00 0.00 O ATOM 619 OE2 GLU A 47 2.912 -9.295 9.335 1.00 0.00 O ATOM 0 H GLU A 47 3.180 -9.037 3.319 1.00 0.00 H new ATOM 0 HA GLU A 47 4.965 -10.378 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.940 -10.336 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.051 -11.372 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.295 -9.261 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.007 -8.316 6.537 1.00 0.00 H new ATOM 771 N LEU A 59 5.408 -12.598 -0.743 1.00 0.00 N ATOM 772 CA LEU A 59 5.378 -11.427 0.184 1.00 0.00 C ATOM 773 C LEU A 59 4.223 -10.524 -0.260 1.00 0.00 C ATOM 774 O LEU A 59 4.198 -10.048 -1.377 1.00 0.00 O ATOM 775 CB LEU A 59 6.700 -10.663 0.102 1.00 0.00 C ATOM 776 CG LEU A 59 7.586 -11.032 1.290 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.858 -11.715 0.786 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.960 -9.759 2.055 1.00 0.00 C ATOM 0 HA LEU A 59 5.238 -11.753 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.210 -10.900 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.510 -9.590 0.098 1.00 0.00 H new ATOM 0 HG LEU A 59 7.048 -11.712 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.490 -11.978 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.593 -12.618 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.399 -11.036 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.593 -10.017 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.500 -9.082 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.054 -9.270 2.413 1.00 0.00 H new ATOM 790 N THR A 60 3.242 -10.317 0.578 1.00 0.00 N ATOM 791 CA THR A 60 2.077 -9.486 0.149 1.00 0.00 C ATOM 792 C THR A 60 1.641 -8.532 1.286 1.00 0.00 C ATOM 793 O THR A 60 1.956 -8.766 2.436 1.00 0.00 O ATOM 794 CB THR A 60 0.940 -10.450 -0.176 1.00 0.00 C ATOM 795 OG1 THR A 60 0.760 -11.332 0.920 1.00 0.00 O ATOM 796 CG2 THR A 60 1.327 -11.230 -1.419 1.00 0.00 C ATOM 0 H THR A 60 3.195 -10.682 1.529 1.00 0.00 H new ATOM 0 HA THR A 60 2.341 -8.876 -0.715 1.00 0.00 H new ATOM 0 HB THR A 60 0.009 -9.912 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.030 -11.955 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.529 -11.928 -1.674 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.483 -10.540 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.247 -11.783 -1.230 1.00 0.00 H new ATOM 804 N ILE A 61 0.906 -7.470 0.999 1.00 0.00 N ATOM 805 CA ILE A 61 0.471 -6.566 2.101 1.00 0.00 C ATOM 806 C ILE A 61 -0.546 -7.278 2.983 1.00 0.00 C ATOM 807 O ILE A 61 -1.567 -7.758 2.531 1.00 0.00 O ATOM 808 CB ILE A 61 -0.177 -5.317 1.534 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.872 -4.438 0.853 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.809 -4.524 2.669 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.191 -3.195 0.276 1.00 0.00 C ATOM 0 H ILE A 61 0.599 -7.203 0.064 1.00 0.00 H new ATOM 0 HA ILE A 61 1.349 -6.292 2.685 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.932 -5.612 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.640 -4.147 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.371 -4.995 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.277 -3.625 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.563 -5.135 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.040 -4.243 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.936 -2.565 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.561 -3.497 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.287 -2.636 1.080 1.00 0.00 H new ATOM 823 N ASN A 62 -0.259 -7.338 4.238 1.00 0.00 N ATOM 824 CA ASN A 62 -1.198 -8.014 5.196 1.00 0.00 C ATOM 825 C ASN A 62 -1.975 -6.995 6.037 1.00 0.00 C ATOM 826 O ASN A 62 -3.176 -7.097 6.189 1.00 0.00 O ATOM 827 CB ASN A 62 -0.429 -8.932 6.148 1.00 0.00 C ATOM 828 CG ASN A 62 -0.368 -10.342 5.558 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.225 -11.309 6.280 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.473 -10.502 4.268 1.00 0.00 N ATOM 0 H ASN A 62 0.585 -6.951 4.660 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.898 -8.594 4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.579 -8.548 6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.917 -8.955 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.435 -11.438 3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.593 -9.691 3.662 1.00 0.00 H new ATOM 837 N ARG A 63 -1.309 -6.033 6.606 1.00 0.00 N ATOM 838 CA ARG A 63 -2.030 -5.040 7.457 1.00 0.00 C ATOM 839 C ARG A 63 -1.990 -3.661 6.811 1.00 0.00 C ATOM 840 O ARG A 63 -1.011 -2.946 6.898 1.00 0.00 O ATOM 841 CB ARG A 63 -1.381 -4.972 8.844 1.00 0.00 C ATOM 842 CG ARG A 63 -2.465 -5.090 9.918 1.00 0.00 C ATOM 843 CD ARG A 63 -1.840 -4.880 11.298 1.00 0.00 C ATOM 844 NE ARG A 63 -2.611 -5.652 12.313 1.00 0.00 N ATOM 845 CZ ARG A 63 -3.852 -5.337 12.562 1.00 0.00 C ATOM 846 NH1 ARG A 63 -4.277 -4.127 12.323 1.00 0.00 N ATOM 847 NH2 ARG A 63 -4.667 -6.232 13.052 1.00 0.00 N ATOM 0 H ARG A 63 -0.303 -5.888 6.522 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.068 -5.357 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.653 -5.775 8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.840 -4.033 8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.246 -4.350 9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.938 -6.071 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.799 -5.205 11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.842 -3.820 11.553 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.170 -6.425 12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.639 -3.428 11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.247 -3.880 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.333 -7.177 13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.637 -5.986 13.247 1.00 0.00 H new ATOM 861 N ILE A 64 -3.057 -3.278 6.168 1.00 0.00 N ATOM 862 CA ILE A 64 -3.093 -1.942 5.521 1.00 0.00 C ATOM 863 C ILE A 64 -3.757 -0.939 6.448 1.00 0.00 C ATOM 864 O ILE A 64 -4.695 -1.245 7.157 1.00 0.00 O ATOM 865 CB ILE A 64 -3.870 -2.015 4.212 1.00 0.00 C ATOM 866 CG1 ILE A 64 -3.032 -2.814 3.219 1.00 0.00 C ATOM 867 CG2 ILE A 64 -4.121 -0.598 3.682 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.208 -2.276 1.797 1.00 0.00 C ATOM 0 H ILE A 64 -3.905 -3.834 6.064 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.071 -1.624 5.314 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.836 -2.498 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.981 -2.765 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.323 -3.864 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.677 -0.653 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.698 -0.033 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.167 -0.100 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.600 -2.863 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.256 -2.348 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.893 -1.233 1.761 1.00 0.00 H new ATOM 880 N PHE A 65 -3.269 0.260 6.440 1.00 0.00 N ATOM 881 CA PHE A 65 -3.855 1.316 7.315 1.00 0.00 C ATOM 882 C PHE A 65 -4.647 2.299 6.449 1.00 0.00 C ATOM 883 O PHE A 65 -4.465 2.366 5.250 1.00 0.00 O ATOM 884 CB PHE A 65 -2.735 2.060 8.053 1.00 0.00 C ATOM 885 CG PHE A 65 -1.749 1.054 8.636 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.149 -0.274 8.870 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.433 1.444 8.936 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.237 -1.203 9.399 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.476 0.510 9.464 1.00 0.00 C ATOM 890 CZ PHE A 65 0.071 -0.808 9.694 1.00 0.00 C ATOM 0 H PHE A 65 -2.484 0.563 5.863 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.518 0.858 8.049 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.220 2.734 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.156 2.675 8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.159 -0.580 8.643 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.119 2.462 8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.547 -2.222 9.578 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.488 0.811 9.692 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.771 -1.523 10.101 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.535 4.417 -4.692 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.063 3.164 -4.034 1.00 0.00 C ATOM 1005 C GLU A 74 -5.612 2.881 -4.427 1.00 0.00 C ATOM 1006 O GLU A 74 -5.338 2.345 -5.482 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.946 1.996 -4.478 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.408 2.305 -4.150 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.204 1.001 -4.078 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -9.730 0.010 -4.608 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.275 1.015 -3.493 1.00 0.00 O ATOM 0 HA GLU A 74 -7.123 3.283 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.831 1.826 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.635 1.080 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.474 2.836 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.832 2.960 -4.911 1.00 0.00 H new ATOM 1018 N THR A 75 -4.679 3.230 -3.582 1.00 0.00 N ATOM 1019 CA THR A 75 -3.249 2.973 -3.905 1.00 0.00 C ATOM 1020 C THR A 75 -2.727 1.834 -3.031 1.00 0.00 C ATOM 1021 O THR A 75 -1.571 1.802 -2.655 1.00 0.00 O ATOM 1022 CB THR A 75 -2.436 4.240 -3.639 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.124 4.321 -2.253 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.257 5.459 -4.052 1.00 0.00 C ATOM 0 H THR A 75 -4.847 3.682 -2.683 1.00 0.00 H new ATOM 0 HA THR A 75 -3.154 2.694 -4.954 1.00 0.00 H new ATOM 0 HB THR A 75 -1.511 4.211 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.052 5.262 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.682 6.366 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.496 5.394 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.180 5.489 -3.473 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.572 0.899 -2.705 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.135 -0.246 -1.852 1.00 0.00 C ATOM 1034 C VAL A 76 -3.982 -1.477 -2.182 1.00 0.00 C ATOM 1035 O VAL A 76 -5.005 -1.384 -2.832 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.303 0.100 -0.365 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -1.929 0.348 0.259 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.164 1.358 -0.205 1.00 0.00 C ATOM 0 H VAL A 76 -4.551 0.875 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.083 -0.452 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.794 -0.734 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.048 0.594 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.318 -0.549 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.441 1.177 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.274 1.591 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.684 2.195 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.147 1.184 -0.643 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.568 -2.632 -1.733 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.357 -3.870 -2.016 1.00 0.00 C ATOM 1050 C GLN A 77 -4.145 -4.876 -0.876 1.00 0.00 C ATOM 1051 O GLN A 77 -3.051 -4.999 -0.362 1.00 0.00 O ATOM 1052 CB GLN A 77 -3.909 -4.503 -3.344 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.584 -3.889 -3.812 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.873 -2.660 -4.675 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.626 -2.736 -5.626 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.300 -1.524 -4.387 1.00 0.00 N ATOM 0 H GLN A 77 -2.720 -2.773 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.412 -3.607 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.794 -5.580 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.676 -4.350 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.976 -3.609 -2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.012 -4.621 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.668 -1.459 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.484 -0.700 -4.960 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.202 -5.560 -0.504 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.161 -6.555 0.584 1.00 0.00 C ATOM 1067 C PRO A 78 -4.615 -7.902 0.095 1.00 0.00 C ATOM 1068 O PRO A 78 -5.210 -8.560 -0.737 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.629 -6.697 0.991 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.467 -6.243 -0.228 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.535 -5.403 -1.122 1.00 0.00 C ATOM 0 HA PRO A 78 -4.508 -6.248 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.860 -7.728 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.851 -6.084 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.853 -7.104 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.328 -5.656 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.541 -5.761 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.842 -4.357 -1.146 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.503 -8.327 0.628 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.932 -9.658 0.216 1.00 0.00 C ATOM 1081 C GLY A 79 -2.444 -9.630 -1.237 1.00 0.00 C ATOM 1082 O GLY A 79 -2.375 -10.656 -1.885 1.00 0.00 O ATOM 0 H GLY A 79 -2.961 -7.820 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.104 -9.920 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.690 -10.433 0.332 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.086 -8.489 -1.764 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.591 -8.470 -3.176 1.00 0.00 C ATOM 1088 C ASP A 80 -0.123 -8.919 -3.185 1.00 0.00 C ATOM 1089 O ASP A 80 0.564 -8.806 -2.189 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.711 -7.061 -3.774 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.692 -7.100 -4.949 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -2.872 -8.170 -5.507 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -3.246 -6.063 -5.272 1.00 0.00 O ATOM 0 H ASP A 80 -2.113 -7.585 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.195 -9.146 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.059 -6.359 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.735 -6.710 -4.110 1.00 0.00 H new ATOM 1098 N GLU A 81 0.372 -9.436 -4.283 1.00 0.00 N ATOM 1099 CA GLU A 81 1.807 -9.889 -4.292 1.00 0.00 C ATOM 1100 C GLU A 81 2.719 -8.743 -4.749 1.00 0.00 C ATOM 1101 O GLU A 81 3.379 -8.834 -5.764 1.00 0.00 O ATOM 1102 CB GLU A 81 1.995 -11.088 -5.239 1.00 0.00 C ATOM 1103 CG GLU A 81 3.454 -11.547 -5.189 1.00 0.00 C ATOM 1104 CD GLU A 81 3.802 -12.282 -6.486 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.532 -11.736 -7.543 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.329 -13.379 -6.399 1.00 0.00 O ATOM 0 H GLU A 81 -0.138 -9.564 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 81 2.072 -10.190 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.335 -11.904 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.724 -10.808 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.112 -10.688 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.611 -12.203 -4.333 1.00 0.00 H new ATOM 1113 N ILE A 82 2.782 -7.671 -3.998 1.00 0.00 N ATOM 1114 CA ILE A 82 3.683 -6.535 -4.393 1.00 0.00 C ATOM 1115 C ILE A 82 5.113 -7.080 -4.538 1.00 0.00 C ATOM 1116 O ILE A 82 5.648 -7.643 -3.612 1.00 0.00 O ATOM 1117 CB ILE A 82 3.643 -5.467 -3.296 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.195 -5.298 -2.813 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.161 -4.137 -3.851 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.026 -3.946 -2.114 1.00 0.00 C ATOM 0 H ILE A 82 2.255 -7.530 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 82 3.358 -6.095 -5.336 1.00 0.00 H new ATOM 0 HB ILE A 82 4.274 -5.774 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.511 -5.366 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.936 -6.105 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.131 -3.380 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.187 -4.262 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.534 -3.822 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.995 -3.837 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.697 -3.893 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.265 -3.143 -2.812 1.00 0.00 H new ATOM 1132 N LEU A 83 5.732 -6.947 -5.691 1.00 0.00 N ATOM 1133 CA LEU A 83 7.118 -7.501 -5.856 1.00 0.00 C ATOM 1134 C LEU A 83 8.163 -6.574 -5.227 1.00 0.00 C ATOM 1135 O LEU A 83 9.082 -7.030 -4.576 1.00 0.00 O ATOM 1136 CB LEU A 83 7.433 -7.646 -7.341 1.00 0.00 C ATOM 1137 CG LEU A 83 6.359 -8.503 -8.012 1.00 0.00 C ATOM 1138 CD1 LEU A 83 6.230 -8.107 -9.484 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.754 -9.979 -7.914 1.00 0.00 C ATOM 0 H LEU A 83 5.344 -6.486 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 83 7.156 -8.469 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.475 -6.664 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.413 -8.105 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 83 5.404 -8.345 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.464 -8.719 -9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.950 -7.056 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.184 -8.263 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.990 -10.593 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.710 -10.134 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.844 -10.263 -6.865 1.00 0.00 H new ATOM 1151 N GLN A 84 8.057 -5.287 -5.420 1.00 0.00 N ATOM 1152 CA GLN A 84 9.083 -4.383 -4.828 1.00 0.00 C ATOM 1153 C GLN A 84 8.474 -3.020 -4.504 1.00 0.00 C ATOM 1154 O GLN A 84 7.482 -2.613 -5.075 1.00 0.00 O ATOM 1155 CB GLN A 84 10.248 -4.210 -5.814 1.00 0.00 C ATOM 1156 CG GLN A 84 9.856 -3.269 -6.960 1.00 0.00 C ATOM 1157 CD GLN A 84 9.212 -4.075 -8.088 1.00 0.00 C ATOM 1158 OE1 GLN A 84 9.887 -4.776 -8.814 1.00 0.00 O ATOM 1159 NE2 GLN A 84 7.921 -4.005 -8.265 1.00 0.00 N ATOM 0 H GLN A 84 7.318 -4.829 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 84 9.451 -4.828 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.117 -3.811 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.537 -5.181 -6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.162 -2.510 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.737 -2.745 -7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.354 -3.416 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.479 -4.539 -9.013 1.00 0.00 H new ATOM 1168 N LEU A 85 9.080 -2.310 -3.598 1.00 0.00 N ATOM 1169 CA LEU A 85 8.576 -0.961 -3.227 1.00 0.00 C ATOM 1170 C LEU A 85 9.447 0.088 -3.913 1.00 0.00 C ATOM 1171 O LEU A 85 10.377 -0.236 -4.626 1.00 0.00 O ATOM 1172 CB LEU A 85 8.700 -0.780 -1.713 1.00 0.00 C ATOM 1173 CG LEU A 85 7.343 -0.967 -1.043 1.00 0.00 C ATOM 1174 CD1 LEU A 85 7.316 -2.313 -0.317 1.00 0.00 C ATOM 1175 CD2 LEU A 85 7.124 0.166 -0.037 1.00 0.00 C ATOM 0 H LEU A 85 9.913 -2.610 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 85 7.535 -0.854 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.413 -1.500 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.089 0.213 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 85 6.553 -0.948 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.347 -2.448 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.481 -3.117 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.101 -2.334 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.156 0.040 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.912 0.142 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.148 1.124 -0.557 1.00 0.00 H new ATOM 1187 N GLY A 86 9.178 1.342 -3.688 1.00 0.00 N ATOM 1188 CA GLY A 86 10.016 2.398 -4.310 1.00 0.00 C ATOM 1189 C GLY A 86 11.431 2.330 -3.721 1.00 0.00 C ATOM 1190 O GLY A 86 12.324 3.030 -4.156 1.00 0.00 O ATOM 0 H GLY A 86 8.415 1.680 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.052 2.261 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.580 3.380 -4.127 1.00 0.00 H new ATOM 1194 N GLY A 87 11.646 1.497 -2.730 1.00 0.00 N ATOM 1195 CA GLY A 87 13.020 1.409 -2.126 1.00 0.00 C ATOM 1196 C GLY A 87 13.284 0.001 -1.570 1.00 0.00 C ATOM 1197 O GLY A 87 14.082 -0.168 -0.669 1.00 0.00 O ATOM 0 H GLY A 87 10.944 0.883 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.769 1.654 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.119 2.144 -1.327 1.00 0.00 H new ATOM 1201 N THR A 88 12.658 -1.017 -2.109 1.00 0.00 N ATOM 1202 CA THR A 88 12.926 -2.395 -1.615 1.00 0.00 C ATOM 1203 C THR A 88 12.327 -3.395 -2.602 1.00 0.00 C ATOM 1204 O THR A 88 11.272 -3.179 -3.156 1.00 0.00 O ATOM 1205 CB THR A 88 12.319 -2.632 -0.201 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.159 -3.535 0.496 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.918 -3.261 -0.273 1.00 0.00 C ATOM 0 H THR A 88 11.977 -0.950 -2.866 1.00 0.00 H new ATOM 0 HA THR A 88 14.005 -2.528 -1.537 1.00 0.00 H new ATOM 0 HB THR A 88 12.242 -1.666 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.614 -4.112 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.533 -3.409 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.250 -2.599 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.977 -4.222 -0.783 1.00 0.00 H new ATOM 1215 N ALA A 89 12.970 -4.499 -2.790 1.00 0.00 N ATOM 1216 CA ALA A 89 12.416 -5.531 -3.699 1.00 0.00 C ATOM 1217 C ALA A 89 12.432 -6.878 -2.979 1.00 0.00 C ATOM 1218 O ALA A 89 13.443 -7.300 -2.450 1.00 0.00 O ATOM 1219 CB ALA A 89 13.247 -5.604 -4.966 1.00 0.00 C ATOM 0 H ALA A 89 13.860 -4.737 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 89 11.393 -5.274 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.834 -6.364 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.230 -4.637 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.275 -5.863 -4.713 1.00 0.00 H new ATOM 1225 N MET A 90 11.315 -7.547 -2.934 1.00 0.00 N ATOM 1226 CA MET A 90 11.253 -8.855 -2.228 1.00 0.00 C ATOM 1227 C MET A 90 12.085 -9.898 -2.967 1.00 0.00 C ATOM 1228 O MET A 90 13.028 -10.438 -2.428 1.00 0.00 O ATOM 1229 CB MET A 90 9.805 -9.333 -2.169 1.00 0.00 C ATOM 1230 CG MET A 90 9.072 -8.621 -1.035 1.00 0.00 C ATOM 1231 SD MET A 90 7.450 -8.070 -1.617 1.00 0.00 S ATOM 1232 CE MET A 90 7.051 -9.512 -2.643 1.00 0.00 C ATOM 0 H MET A 90 10.439 -7.242 -3.358 1.00 0.00 H new ATOM 0 HA MET A 90 11.649 -8.726 -1.221 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.307 -9.133 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.774 -10.411 -2.014 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.956 -9.293 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.656 -7.768 -0.690 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.974 -9.677 -2.635 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.383 -9.334 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.556 -10.392 -2.245 1.00 0.00 H new ATOM 1242 N GLN A 91 11.710 -10.223 -4.177 1.00 0.00 N ATOM 1243 CA GLN A 91 12.469 -11.290 -4.932 1.00 0.00 C ATOM 1244 C GLN A 91 13.978 -11.281 -4.617 1.00 0.00 C ATOM 1245 O GLN A 91 14.608 -12.319 -4.643 1.00 0.00 O ATOM 1246 CB GLN A 91 12.234 -11.169 -6.460 1.00 0.00 C ATOM 1247 CG GLN A 91 10.805 -11.611 -6.870 1.00 0.00 C ATOM 1248 CD GLN A 91 10.056 -12.247 -5.692 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.188 -11.632 -5.106 1.00 0.00 O ATOM 1250 NE2 GLN A 91 10.358 -13.461 -5.323 1.00 0.00 N ATOM 0 H GLN A 91 10.924 -9.808 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 91 12.075 -12.247 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.396 -10.137 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.967 -11.779 -6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.247 -10.749 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.865 -12.324 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.087 -13.977 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.865 -13.894 -4.542 1.00 0.00 H new ATOM 1259 N GLY A 92 14.570 -10.169 -4.279 1.00 0.00 N ATOM 1260 CA GLY A 92 16.011 -10.197 -3.931 1.00 0.00 C ATOM 1261 C GLY A 92 16.108 -9.882 -2.449 1.00 0.00 C ATOM 1262 O GLY A 92 16.860 -9.025 -2.032 1.00 0.00 O ATOM 0 H GLY A 92 14.122 -9.254 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.443 -11.174 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.565 -9.466 -4.519 1.00 0.00 H new ATOM 1266 N LEU A 93 15.314 -10.542 -1.645 1.00 0.00 N ATOM 1267 CA LEU A 93 15.333 -10.236 -0.202 1.00 0.00 C ATOM 1268 C LEU A 93 14.585 -11.322 0.569 1.00 0.00 C ATOM 1269 O LEU A 93 14.283 -12.380 0.055 1.00 0.00 O ATOM 1270 CB LEU A 93 14.637 -8.888 -0.002 1.00 0.00 C ATOM 1271 CG LEU A 93 15.648 -7.866 0.512 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.061 -6.461 0.377 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.960 -8.153 1.982 1.00 0.00 C ATOM 0 H LEU A 93 14.662 -11.272 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 93 16.359 -10.196 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.204 -8.547 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.816 -8.992 0.707 1.00 0.00 H new ATOM 0 HG LEU A 93 16.566 -7.934 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.781 -5.729 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.839 -6.259 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.144 -6.392 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.682 -7.424 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.044 -8.084 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.377 -9.156 2.076 1.00 0.00 H new ATOM 1285 N THR A 94 14.281 -11.050 1.801 1.00 0.00 N ATOM 1286 CA THR A 94 13.543 -12.036 2.637 1.00 0.00 C ATOM 1287 C THR A 94 12.158 -11.469 2.962 1.00 0.00 C ATOM 1288 O THR A 94 11.851 -10.343 2.627 1.00 0.00 O ATOM 1289 CB THR A 94 14.309 -12.285 3.938 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.689 -12.015 3.735 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.127 -13.741 4.364 1.00 0.00 C ATOM 0 H THR A 94 14.514 -10.176 2.273 1.00 0.00 H new ATOM 0 HA THR A 94 13.443 -12.977 2.095 1.00 0.00 H new ATOM 0 HB THR A 94 13.925 -11.629 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.200 -12.322 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.672 -13.920 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.068 -13.944 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.511 -14.399 3.584 1.00 0.00 H new ATOM 1299 N ARG A 95 11.314 -12.228 3.611 1.00 0.00 N ATOM 1300 CA ARG A 95 9.952 -11.684 3.936 1.00 0.00 C ATOM 1301 C ARG A 95 10.082 -10.555 4.964 1.00 0.00 C ATOM 1302 O ARG A 95 9.675 -9.437 4.717 1.00 0.00 O ATOM 1303 CB ARG A 95 9.015 -12.781 4.489 1.00 0.00 C ATOM 1304 CG ARG A 95 7.593 -12.224 4.600 1.00 0.00 C ATOM 1305 CD ARG A 95 7.448 -11.431 5.901 1.00 0.00 C ATOM 1306 NE ARG A 95 6.496 -12.133 6.808 1.00 0.00 N ATOM 1307 CZ ARG A 95 5.966 -11.497 7.817 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.482 -10.368 8.219 1.00 0.00 N ATOM 1309 NH2 ARG A 95 4.921 -11.991 8.423 1.00 0.00 N ATOM 0 H ARG A 95 11.498 -13.181 3.926 1.00 0.00 H new ATOM 0 HA ARG A 95 9.515 -11.303 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.027 -13.651 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.364 -13.115 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.376 -11.582 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.870 -13.040 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.419 -11.327 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.088 -10.424 5.688 1.00 0.00 H new ATOM 0 HE ARG A 95 6.259 -13.111 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.299 -9.983 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.068 -9.870 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.519 -12.874 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.507 -11.494 9.212 1.00 0.00 H new ATOM 1323 N PHE A 96 10.645 -10.825 6.112 1.00 0.00 N ATOM 1324 CA PHE A 96 10.786 -9.746 7.133 1.00 0.00 C ATOM 1325 C PHE A 96 11.754 -8.681 6.619 1.00 0.00 C ATOM 1326 O PHE A 96 11.453 -7.503 6.625 1.00 0.00 O ATOM 1327 CB PHE A 96 11.326 -10.331 8.442 1.00 0.00 C ATOM 1328 CG PHE A 96 10.215 -11.027 9.191 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.831 -12.325 8.830 1.00 0.00 C ATOM 1330 CD2 PHE A 96 9.572 -10.375 10.250 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.805 -12.970 9.531 1.00 0.00 C ATOM 1332 CE2 PHE A 96 8.547 -11.021 10.950 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.163 -12.319 10.590 1.00 0.00 C ATOM 0 H PHE A 96 11.010 -11.737 6.385 1.00 0.00 H new ATOM 0 HA PHE A 96 9.809 -9.299 7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.131 -11.035 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.750 -9.538 9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.326 -12.827 8.012 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.867 -9.374 10.527 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.509 -13.971 9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.052 -10.519 11.768 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.371 -12.817 11.130 1.00 0.00 H new ATOM 1343 N GLU A 97 12.912 -9.079 6.169 1.00 0.00 N ATOM 1344 CA GLU A 97 13.883 -8.079 5.657 1.00 0.00 C ATOM 1345 C GLU A 97 13.173 -7.165 4.665 1.00 0.00 C ATOM 1346 O GLU A 97 13.369 -5.968 4.660 1.00 0.00 O ATOM 1347 CB GLU A 97 15.045 -8.788 4.960 1.00 0.00 C ATOM 1348 CG GLU A 97 15.691 -9.785 5.924 1.00 0.00 C ATOM 1349 CD GLU A 97 16.273 -9.030 7.122 1.00 0.00 C ATOM 1350 OE1 GLU A 97 16.934 -8.029 6.904 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.046 -9.468 8.239 1.00 0.00 O ATOM 0 H GLU A 97 13.224 -10.049 6.135 1.00 0.00 H new ATOM 0 HA GLU A 97 14.276 -7.493 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.687 -9.307 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.783 -8.058 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.952 -10.512 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.477 -10.343 5.415 1.00 0.00 H new ATOM 1358 N ALA A 98 12.344 -7.715 3.823 1.00 0.00 N ATOM 1359 CA ALA A 98 11.634 -6.863 2.836 1.00 0.00 C ATOM 1360 C ALA A 98 10.989 -5.675 3.542 1.00 0.00 C ATOM 1361 O ALA A 98 11.399 -4.546 3.372 1.00 0.00 O ATOM 1362 CB ALA A 98 10.558 -7.687 2.122 1.00 0.00 C ATOM 0 H ALA A 98 12.130 -8.711 3.777 1.00 0.00 H new ATOM 0 HA ALA A 98 12.351 -6.494 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.039 -7.059 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.025 -8.526 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.843 -8.064 2.854 1.00 0.00 H new ATOM 1368 N TRP A 99 9.980 -5.914 4.320 1.00 0.00 N ATOM 1369 CA TRP A 99 9.294 -4.779 5.020 1.00 0.00 C ATOM 1370 C TRP A 99 10.292 -3.964 5.862 1.00 0.00 C ATOM 1371 O TRP A 99 9.984 -2.874 6.303 1.00 0.00 O ATOM 1372 CB TRP A 99 8.186 -5.336 5.922 1.00 0.00 C ATOM 1373 CG TRP A 99 7.425 -4.212 6.546 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.088 -4.133 7.852 1.00 0.00 C ATOM 1375 CD2 TRP A 99 6.896 -3.013 5.913 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.387 -2.959 8.063 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.245 -2.234 6.897 1.00 0.00 C ATOM 1378 CE3 TRP A 99 6.922 -2.530 4.595 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.637 -1.017 6.580 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.315 -1.312 4.272 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.673 -0.552 5.262 1.00 0.00 C ATOM 0 H TRP A 99 9.594 -6.839 4.508 1.00 0.00 H new ATOM 0 HA TRP A 99 8.864 -4.116 4.270 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.512 -5.964 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.619 -5.968 6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.327 -4.867 8.608 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.020 -2.665 8.968 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.415 -3.104 3.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.143 -0.440 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.340 -0.954 3.253 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.208 0.389 5.007 1.00 0.00 H new ATOM 1392 N ASN A 100 11.475 -4.468 6.101 1.00 0.00 N ATOM 1393 CA ASN A 100 12.457 -3.696 6.924 1.00 0.00 C ATOM 1394 C ASN A 100 13.179 -2.633 6.074 1.00 0.00 C ATOM 1395 O ASN A 100 13.311 -1.497 6.486 1.00 0.00 O ATOM 1396 CB ASN A 100 13.483 -4.656 7.537 1.00 0.00 C ATOM 1397 CG ASN A 100 12.940 -5.196 8.861 1.00 0.00 C ATOM 1398 OD1 ASN A 100 13.418 -4.836 9.918 1.00 0.00 O ATOM 1399 ND2 ASN A 100 11.955 -6.050 8.848 1.00 0.00 N ATOM 0 H ASN A 100 11.803 -5.374 5.765 1.00 0.00 H new ATOM 0 HA ASN A 100 11.913 -3.184 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.684 -5.478 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.429 -4.140 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.586 -6.416 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.554 -6.352 7.960 1.00 0.00 H new ATOM 1406 N ILE A 101 13.655 -2.977 4.900 1.00 0.00 N ATOM 1407 CA ILE A 101 14.367 -1.969 4.058 1.00 0.00 C ATOM 1408 C ILE A 101 13.454 -0.779 3.780 1.00 0.00 C ATOM 1409 O ILE A 101 13.881 0.358 3.777 1.00 0.00 O ATOM 1410 CB ILE A 101 14.734 -2.609 2.726 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.836 -3.632 2.935 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.183 -1.540 1.732 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.172 -4.989 3.118 1.00 0.00 C ATOM 0 H ILE A 101 13.581 -3.909 4.492 1.00 0.00 H new ATOM 0 HA ILE A 101 15.259 -1.632 4.586 1.00 0.00 H new ATOM 0 HB ILE A 101 13.857 -3.112 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.511 -3.648 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.435 -3.377 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.443 -2.011 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.374 -0.827 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.054 -1.018 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.937 -5.751 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.513 -4.957 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.590 -5.232 2.229 1.00 0.00 H new ATOM 1425 N ILE A 102 12.204 -1.034 3.532 1.00 0.00 N ATOM 1426 CA ILE A 102 11.268 0.079 3.236 1.00 0.00 C ATOM 1427 C ILE A 102 11.234 1.034 4.426 1.00 0.00 C ATOM 1428 O ILE A 102 11.533 2.200 4.311 1.00 0.00 O ATOM 1429 CB ILE A 102 9.888 -0.510 3.031 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.798 -1.203 1.699 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.815 0.569 3.122 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.575 -2.676 2.004 1.00 0.00 C ATOM 0 H ILE A 102 11.790 -1.966 3.521 1.00 0.00 H new ATOM 0 HA ILE A 102 11.588 0.620 2.346 1.00 0.00 H new ATOM 0 HB ILE A 102 9.719 -1.240 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.978 -0.800 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.711 -1.058 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.833 0.120 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.852 1.037 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.991 1.323 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.501 -3.234 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.412 -3.057 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.652 -2.794 2.571 1.00 0.00 H new ATOM 1444 N LYS A 103 10.861 0.538 5.567 1.00 0.00 N ATOM 1445 CA LYS A 103 10.794 1.410 6.779 1.00 0.00 C ATOM 1446 C LYS A 103 12.017 2.326 6.828 1.00 0.00 C ATOM 1447 O LYS A 103 11.984 3.401 7.392 1.00 0.00 O ATOM 1448 CB LYS A 103 10.771 0.538 8.036 1.00 0.00 C ATOM 1449 CG LYS A 103 9.539 -0.363 8.011 1.00 0.00 C ATOM 1450 CD LYS A 103 8.403 0.305 8.786 1.00 0.00 C ATOM 1451 CE LYS A 103 8.572 0.024 10.280 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.430 -1.438 10.530 1.00 0.00 N ATOM 0 H LYS A 103 10.598 -0.436 5.719 1.00 0.00 H new ATOM 0 HA LYS A 103 9.888 2.015 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.676 -0.067 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.757 1.166 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.232 -0.548 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.774 -1.331 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.407 1.380 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.441 -0.073 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.550 0.368 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.825 0.576 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.091 -1.593 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.748 -1.841 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.352 -1.902 10.407 1.00 0.00 H new ATOM 1466 N ALA A 104 13.101 1.893 6.259 1.00 0.00 N ATOM 1467 CA ALA A 104 14.348 2.713 6.282 1.00 0.00 C ATOM 1468 C ALA A 104 14.444 3.609 5.042 1.00 0.00 C ATOM 1469 O ALA A 104 15.447 4.257 4.818 1.00 0.00 O ATOM 1470 CB ALA A 104 15.551 1.780 6.303 1.00 0.00 C ATOM 0 H ALA A 104 13.182 1.000 5.774 1.00 0.00 H new ATOM 0 HA ALA A 104 14.329 3.345 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.468 2.369 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.508 1.150 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.540 1.152 5.412 1.00 0.00 H new ATOM 1476 N LEU A 105 13.429 3.650 4.230 1.00 0.00 N ATOM 1477 CA LEU A 105 13.496 4.501 3.010 1.00 0.00 C ATOM 1478 C LEU A 105 13.299 5.974 3.401 1.00 0.00 C ATOM 1479 O LEU A 105 13.099 6.283 4.560 1.00 0.00 O ATOM 1480 CB LEU A 105 12.418 4.032 2.009 1.00 0.00 C ATOM 1481 CG LEU A 105 11.106 4.812 2.186 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.259 4.675 0.920 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.325 4.250 3.375 1.00 0.00 C ATOM 0 H LEU A 105 12.558 3.134 4.356 1.00 0.00 H new ATOM 0 HA LEU A 105 14.472 4.408 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.785 4.162 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.231 2.967 2.147 1.00 0.00 H new ATOM 0 HG LEU A 105 11.335 5.862 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.328 5.228 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.809 5.077 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.036 3.623 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.396 4.807 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.098 3.199 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.924 4.343 4.281 1.00 0.00 H new ATOM 1495 N PRO A 106 13.368 6.839 2.418 1.00 0.00 N ATOM 1496 CA PRO A 106 13.207 8.290 2.618 1.00 0.00 C ATOM 1497 C PRO A 106 11.722 8.676 2.641 1.00 0.00 C ATOM 1498 O PRO A 106 10.851 7.854 2.446 1.00 0.00 O ATOM 1499 CB PRO A 106 13.891 8.892 1.389 1.00 0.00 C ATOM 1500 CG PRO A 106 13.879 7.793 0.299 1.00 0.00 C ATOM 1501 CD PRO A 106 13.628 6.454 1.018 1.00 0.00 C ATOM 0 HA PRO A 106 13.627 8.637 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.363 9.783 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.911 9.196 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.100 7.988 -0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.827 7.771 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.779 5.923 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.491 5.792 0.940 1.00 0.00 H new ATOM 1509 N ASP A 107 11.430 9.927 2.864 1.00 0.00 N ATOM 1510 CA ASP A 107 10.010 10.374 2.888 1.00 0.00 C ATOM 1511 C ASP A 107 9.641 10.954 1.523 1.00 0.00 C ATOM 1512 O ASP A 107 9.854 12.121 1.258 1.00 0.00 O ATOM 1513 CB ASP A 107 9.831 11.446 3.966 1.00 0.00 C ATOM 1514 CG ASP A 107 9.496 10.777 5.300 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.927 9.653 5.499 1.00 0.00 O ATOM 1516 OD2 ASP A 107 8.816 11.399 6.098 1.00 0.00 O ATOM 0 H ASP A 107 12.117 10.662 3.031 1.00 0.00 H new ATOM 0 HA ASP A 107 9.362 9.526 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.742 12.036 4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.034 12.133 3.682 1.00 0.00 H new ATOM 1521 N GLY A 108 9.094 10.155 0.650 1.00 0.00 N ATOM 1522 CA GLY A 108 8.724 10.684 -0.701 1.00 0.00 C ATOM 1523 C GLY A 108 7.753 9.728 -1.408 1.00 0.00 C ATOM 1524 O GLY A 108 6.959 9.065 -0.770 1.00 0.00 O ATOM 0 H GLY A 108 8.887 9.169 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.265 11.667 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.622 10.812 -1.306 1.00 0.00 H new ATOM 1528 N PRO A 109 7.848 9.699 -2.719 1.00 0.00 N ATOM 1529 CA PRO A 109 6.995 8.849 -3.573 1.00 0.00 C ATOM 1530 C PRO A 109 7.478 7.400 -3.559 1.00 0.00 C ATOM 1531 O PRO A 109 8.374 7.027 -4.289 1.00 0.00 O ATOM 1532 CB PRO A 109 7.167 9.456 -4.969 1.00 0.00 C ATOM 1533 CG PRO A 109 8.506 10.227 -4.949 1.00 0.00 C ATOM 1534 CD PRO A 109 8.826 10.516 -3.472 1.00 0.00 C ATOM 0 HA PRO A 109 5.958 8.825 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.179 8.678 -5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.338 10.123 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.299 9.638 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.428 11.154 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.851 10.238 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.719 11.576 -3.242 1.00 0.00 H new ATOM 1542 N VAL A 110 6.873 6.570 -2.755 1.00 0.00 N ATOM 1543 CA VAL A 110 7.279 5.146 -2.727 1.00 0.00 C ATOM 1544 C VAL A 110 6.458 4.432 -3.785 1.00 0.00 C ATOM 1545 O VAL A 110 5.254 4.329 -3.686 1.00 0.00 O ATOM 1546 CB VAL A 110 7.013 4.558 -1.342 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.755 5.167 -0.750 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.829 3.041 -1.421 1.00 0.00 C ATOM 0 H VAL A 110 6.116 6.820 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 110 8.343 5.032 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 110 7.873 4.786 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.574 4.741 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.880 6.246 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.906 4.951 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.641 2.645 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.983 2.810 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.732 2.586 -1.828 1.00 0.00 H new ATOM 1558 N THR A 111 7.098 3.978 -4.814 1.00 0.00 N ATOM 1559 CA THR A 111 6.354 3.316 -5.916 1.00 0.00 C ATOM 1560 C THR A 111 6.210 1.821 -5.646 1.00 0.00 C ATOM 1561 O THR A 111 7.166 1.127 -5.363 1.00 0.00 O ATOM 1562 CB THR A 111 7.104 3.525 -7.234 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.802 4.762 -7.186 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.107 3.544 -8.392 1.00 0.00 C ATOM 0 H THR A 111 8.108 4.035 -4.944 1.00 0.00 H new ATOM 0 HA THR A 111 5.359 3.757 -5.980 1.00 0.00 H new ATOM 0 HB THR A 111 7.814 2.711 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.285 4.898 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.642 3.693 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.571 2.595 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.396 4.357 -8.247 1.00 0.00 H new ATOM 1572 N ILE A 112 5.008 1.331 -5.736 1.00 0.00 N ATOM 1573 CA ILE A 112 4.750 -0.103 -5.496 1.00 0.00 C ATOM 1574 C ILE A 112 4.230 -0.754 -6.774 1.00 0.00 C ATOM 1575 O ILE A 112 3.658 -0.107 -7.628 1.00 0.00 O ATOM 1576 CB ILE A 112 3.688 -0.243 -4.405 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.759 0.973 -4.427 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.360 -0.351 -3.034 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.678 0.799 -3.363 1.00 0.00 C ATOM 0 H ILE A 112 4.181 1.879 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 112 5.675 -0.590 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 112 3.105 -1.145 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.328 1.884 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.303 1.080 -5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.597 -0.450 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.011 -1.225 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.951 0.546 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.014 1.663 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.104 -0.103 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 112 2.144 0.713 -2.381 1.00 0.00 H new ATOM 1591 N VAL A 113 4.401 -2.039 -6.897 1.00 0.00 N ATOM 1592 CA VAL A 113 3.892 -2.747 -8.096 1.00 0.00 C ATOM 1593 C VAL A 113 3.196 -4.012 -7.624 1.00 0.00 C ATOM 1594 O VAL A 113 3.821 -4.936 -7.141 1.00 0.00 O ATOM 1595 CB VAL A 113 5.039 -3.127 -9.026 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.504 -3.307 -10.448 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.101 -2.026 -9.015 1.00 0.00 C ATOM 0 H VAL A 113 4.874 -2.630 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 113 3.208 -2.098 -8.643 1.00 0.00 H new ATOM 0 HB VAL A 113 5.486 -4.060 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.323 -3.579 -11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.752 -4.096 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.054 -2.374 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.918 -2.302 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.658 -1.090 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.485 -1.901 -8.002 1.00 0.00 H new ATOM 1607 N ILE A 114 1.910 -4.059 -7.740 1.00 0.00 N ATOM 1608 CA ILE A 114 1.176 -5.261 -7.278 1.00 0.00 C ATOM 1609 C ILE A 114 0.566 -5.983 -8.471 1.00 0.00 C ATOM 1610 O ILE A 114 -0.050 -5.383 -9.330 1.00 0.00 O ATOM 1611 CB ILE A 114 0.070 -4.848 -6.304 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.088 -4.217 -7.080 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.625 -3.834 -5.302 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.021 -5.316 -7.587 1.00 0.00 C ATOM 0 H ILE A 114 1.331 -3.318 -8.135 1.00 0.00 H new ATOM 0 HA ILE A 114 1.870 -5.931 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.289 -5.728 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.636 -3.527 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.704 -3.636 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.162 -3.540 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.448 -4.284 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.985 -2.955 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.846 -4.867 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.468 -5.988 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.415 -5.878 -6.740 1.00 0.00 H new ATOM 1626 N ARG A 115 0.714 -7.270 -8.514 1.00 0.00 N ATOM 1627 CA ARG A 115 0.126 -8.050 -9.630 1.00 0.00 C ATOM 1628 C ARG A 115 -0.701 -9.175 -9.010 1.00 0.00 C ATOM 1629 O ARG A 115 -0.168 -10.092 -8.418 1.00 0.00 O ATOM 1630 CB ARG A 115 1.242 -8.634 -10.511 1.00 0.00 C ATOM 1631 CG ARG A 115 0.698 -9.806 -11.331 1.00 0.00 C ATOM 1632 CD ARG A 115 1.644 -10.092 -12.498 1.00 0.00 C ATOM 1633 NE ARG A 115 2.983 -10.481 -11.972 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.558 -11.575 -12.395 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.310 -11.548 -13.461 1.00 0.00 N ATOM 1636 NH2 ARG A 115 3.381 -12.697 -11.751 1.00 0.00 N ATOM 0 H ARG A 115 1.220 -7.820 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.499 -7.416 -10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.633 -7.864 -11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.072 -8.969 -9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.601 -10.691 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.298 -9.571 -11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.240 -10.891 -13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.733 -9.210 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 115 3.450 -9.893 -11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.449 -10.672 -13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.759 -12.403 -13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.794 -12.719 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.830 -13.551 -12.082 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.996 -9.106 -9.117 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.835 -10.174 -8.502 1.00 0.00 C ATOM 1652 C ARG A 116 -3.182 -11.228 -9.556 1.00 0.00 C ATOM 1653 O ARG A 116 -4.027 -11.022 -10.405 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.119 -9.561 -7.922 1.00 0.00 C ATOM 1655 CG ARG A 116 -5.072 -9.149 -9.048 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.836 -7.889 -8.633 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.647 -7.397 -9.782 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.806 -6.834 -9.570 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -7.956 -6.003 -8.576 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.815 -7.103 -10.354 1.00 0.00 N ATOM 0 H ARG A 116 -2.508 -8.366 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.278 -10.650 -7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.610 -10.281 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.871 -8.693 -7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.511 -8.962 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.771 -9.958 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.484 -8.107 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.137 -7.117 -8.311 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.297 -7.500 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.168 -5.793 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.862 -5.564 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.698 -7.753 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.721 -6.664 -10.189 1.00 0.00 H new