USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 27 GLN : amide:sc= -3.88 K(o=-3.9,f=-8.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.06 K(o=1.1,f=-0.12) USER MOD Single : A 44 SER OG : rot 180:sc= 0.058 USER MOD Single : A 58 MET CE :methyl -166:sc= -4.45! (180deg=-4.92!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.924 USER MOD Single : A 64 THR OG1 : rot 85:sc= 0.127 USER MOD Single : A 73 ASN : amide:sc= -7.15! C(o=-7.2!,f=-18!) USER MOD Single : A 74 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.3) USER MOD Single : A 75 THR OG1 : rot -49:sc= -0.0437 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -4.983 2.679 1.686 1.00 0.00 N ATOM 351 CA LYS A 25 -3.895 3.521 1.205 1.00 0.00 C ATOM 352 C LYS A 25 -3.672 4.700 2.147 1.00 0.00 C ATOM 353 O LYS A 25 -2.567 5.233 2.243 1.00 0.00 O ATOM 354 CB LYS A 25 -4.196 4.026 -0.207 1.00 0.00 C ATOM 355 CG LYS A 25 -2.987 4.022 -1.128 1.00 0.00 C ATOM 356 CD LYS A 25 -2.058 5.190 -0.837 1.00 0.00 C ATOM 357 CE LYS A 25 -2.765 6.525 -1.012 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.907 7.520 -1.711 1.00 0.00 N ATOM 0 HA LYS A 25 -2.985 2.921 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.978 3.406 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.590 5.040 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.442 3.085 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.319 4.070 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.679 5.109 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.196 5.144 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.685 6.377 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.051 6.915 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.425 8.416 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.041 7.681 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.655 7.160 -2.653 1.00 0.00 H new ATOM 372 N THR A 26 -4.734 5.106 2.841 1.00 0.00 N ATOM 373 CA THR A 26 -4.654 6.223 3.772 1.00 0.00 C ATOM 374 C THR A 26 -3.813 5.856 4.986 1.00 0.00 C ATOM 375 O THR A 26 -3.168 6.713 5.587 1.00 0.00 O ATOM 376 CB THR A 26 -6.049 6.680 4.201 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.031 5.733 3.820 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.439 8.016 3.600 1.00 0.00 C ATOM 0 H THR A 26 -5.657 4.677 2.774 1.00 0.00 H new ATOM 0 HA THR A 26 -4.169 7.053 3.258 1.00 0.00 H new ATOM 0 HB THR A 26 -6.005 6.779 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.915 6.045 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.438 8.290 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.727 8.779 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.433 7.942 2.513 1.00 0.00 H new ATOM 386 N GLN A 27 -3.797 4.574 5.332 1.00 0.00 N ATOM 387 CA GLN A 27 -2.998 4.112 6.460 1.00 0.00 C ATOM 388 C GLN A 27 -1.527 4.441 6.217 1.00 0.00 C ATOM 389 O GLN A 27 -0.739 4.569 7.155 1.00 0.00 O ATOM 390 CB GLN A 27 -3.176 2.607 6.661 1.00 0.00 C ATOM 391 CG GLN A 27 -2.908 2.148 8.085 1.00 0.00 C ATOM 392 CD GLN A 27 -1.461 1.754 8.306 1.00 0.00 C ATOM 393 OE1 GLN A 27 -0.627 2.586 8.664 1.00 0.00 O ATOM 394 NE2 GLN A 27 -1.155 0.479 8.096 1.00 0.00 N ATOM 0 H GLN A 27 -4.323 3.843 4.853 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.335 4.621 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.193 2.330 6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.505 2.077 5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.173 2.948 8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.552 1.299 8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.878 -0.177 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.197 0.156 8.231 1.00 0.00 H new ATOM 403 N LEU A 28 -1.173 4.582 4.941 1.00 0.00 N ATOM 404 CA LEU A 28 0.192 4.903 4.540 1.00 0.00 C ATOM 405 C LEU A 28 0.420 6.405 4.497 1.00 0.00 C ATOM 406 O LEU A 28 1.550 6.882 4.383 1.00 0.00 O ATOM 407 CB LEU A 28 0.478 4.302 3.169 1.00 0.00 C ATOM 408 CG LEU A 28 1.940 4.359 2.724 1.00 0.00 C ATOM 409 CD1 LEU A 28 2.353 3.048 2.071 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.162 5.523 1.770 1.00 0.00 C ATOM 0 H LEU A 28 -1.822 4.477 4.161 1.00 0.00 H new ATOM 0 HA LEU A 28 0.870 4.479 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.157 3.260 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.131 4.821 2.429 1.00 0.00 H new ATOM 0 HG LEU A 28 2.561 4.513 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.396 3.109 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.233 2.233 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.726 2.862 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.208 5.548 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.529 5.399 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.908 6.457 2.271 1.00 0.00 H new ATOM 422 N ILE A 29 -0.670 7.130 4.590 1.00 0.00 N ATOM 423 CA ILE A 29 -0.649 8.593 4.565 1.00 0.00 C ATOM 424 C ILE A 29 0.056 9.170 5.771 1.00 0.00 C ATOM 425 O ILE A 29 0.420 10.346 5.813 1.00 0.00 O ATOM 426 CB ILE A 29 -2.072 9.158 4.493 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.750 8.711 3.204 1.00 0.00 C ATOM 428 CG2 ILE A 29 -2.072 10.679 4.612 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.314 9.470 1.978 1.00 0.00 C ATOM 0 H ILE A 29 -1.604 6.731 4.686 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.095 8.883 3.672 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.638 8.766 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.549 7.651 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.829 8.818 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.096 11.048 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.632 10.969 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.488 11.108 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.845 9.088 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.540 10.529 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.241 9.343 1.834 1.00 0.00 H new ATOM 441 N GLU A 30 0.242 8.317 6.727 1.00 0.00 N ATOM 442 CA GLU A 30 0.912 8.666 7.974 1.00 0.00 C ATOM 443 C GLU A 30 2.422 8.694 7.804 1.00 0.00 C ATOM 444 O GLU A 30 3.169 8.928 8.756 1.00 0.00 O ATOM 445 CB GLU A 30 0.515 7.705 9.096 1.00 0.00 C ATOM 446 CG GLU A 30 1.143 8.045 10.438 1.00 0.00 C ATOM 447 CD GLU A 30 0.482 7.317 11.591 1.00 0.00 C ATOM 448 OE1 GLU A 30 0.190 6.112 11.444 1.00 0.00 O ATOM 449 OE2 GLU A 30 0.254 7.953 12.642 1.00 0.00 O ATOM 0 H GLU A 30 -0.064 7.345 6.680 1.00 0.00 H new ATOM 0 HA GLU A 30 0.588 9.669 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.570 7.710 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.804 6.692 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.203 7.793 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.075 9.120 10.605 1.00 0.00 H new ATOM 456 N ALA A 31 2.857 8.453 6.587 1.00 0.00 N ATOM 457 CA ALA A 31 4.277 8.443 6.257 1.00 0.00 C ATOM 458 C ALA A 31 4.737 9.810 5.762 1.00 0.00 C ATOM 459 O ALA A 31 5.889 10.198 5.958 1.00 0.00 O ATOM 460 CB ALA A 31 4.569 7.376 5.213 1.00 0.00 C ATOM 0 H ALA A 31 2.244 8.258 5.796 1.00 0.00 H new ATOM 0 HA ALA A 31 4.833 8.209 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.633 7.380 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.288 6.398 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.996 7.584 4.310 1.00 0.00 H new ATOM 466 N PHE A 32 3.829 10.537 5.118 1.00 0.00 N ATOM 467 CA PHE A 32 4.142 11.861 4.593 1.00 0.00 C ATOM 468 C PHE A 32 4.595 12.797 5.710 1.00 0.00 C ATOM 469 O PHE A 32 5.403 13.700 5.487 1.00 0.00 O ATOM 470 CB PHE A 32 2.925 12.452 3.881 1.00 0.00 C ATOM 471 CG PHE A 32 2.868 12.124 2.416 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.977 12.317 1.607 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.707 11.626 1.848 1.00 0.00 C ATOM 474 CE1 PHE A 32 3.930 12.017 0.259 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.654 11.323 0.500 1.00 0.00 C ATOM 476 CZ PHE A 32 2.766 11.519 -0.296 1.00 0.00 C ATOM 0 H PHE A 32 2.871 10.231 4.947 1.00 0.00 H new ATOM 0 HA PHE A 32 4.958 11.756 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.019 12.085 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.934 13.535 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.889 12.707 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.834 11.473 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.801 12.171 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.743 10.933 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.726 11.284 -1.349 1.00 0.00 H new ATOM 486 N TYR A 33 4.071 12.575 6.910 1.00 0.00 N ATOM 487 CA TYR A 33 4.424 13.398 8.061 1.00 0.00 C ATOM 488 C TYR A 33 5.489 12.717 8.913 1.00 0.00 C ATOM 489 O TYR A 33 5.490 12.835 10.139 1.00 0.00 O ATOM 490 CB TYR A 33 3.183 13.683 8.910 1.00 0.00 C ATOM 491 CG TYR A 33 2.064 14.353 8.142 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.347 13.659 7.175 1.00 0.00 C ATOM 493 CD2 TYR A 33 1.727 15.679 8.384 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.325 14.268 6.472 1.00 0.00 C ATOM 495 CE2 TYR A 33 0.706 16.294 7.685 1.00 0.00 C ATOM 496 CZ TYR A 33 0.009 15.584 6.731 1.00 0.00 C ATOM 497 OH TYR A 33 -1.009 16.194 6.032 1.00 0.00 O ATOM 0 H TYR A 33 3.401 11.833 7.111 1.00 0.00 H new ATOM 0 HA TYR A 33 4.829 14.340 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.815 12.746 9.327 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.466 14.317 9.750 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.592 12.627 6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.272 16.238 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.223 13.715 5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.455 17.325 7.885 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.105 17.121 6.335 1.00 0.00 H new ATOM 507 N ASN A 34 6.396 12.002 8.255 1.00 0.00 N ATOM 508 CA ASN A 34 7.469 11.300 8.951 1.00 0.00 C ATOM 509 C ASN A 34 8.412 10.626 7.960 1.00 0.00 C ATOM 510 O ASN A 34 8.887 9.515 8.194 1.00 0.00 O ATOM 511 CB ASN A 34 6.886 10.256 9.908 1.00 0.00 C ATOM 512 CG ASN A 34 7.765 10.032 11.123 1.00 0.00 C ATOM 513 OD1 ASN A 34 7.354 10.280 12.256 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.986 9.561 10.890 1.00 0.00 N ATOM 0 H ASN A 34 6.410 11.893 7.241 1.00 0.00 H new ATOM 0 HA ASN A 34 8.037 12.033 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.896 10.577 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.757 9.313 9.377 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.624 9.391 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.285 9.369 9.934 1.00 0.00 H new ATOM 612 N PHE A 42 15.495 6.677 -2.658 1.00 0.00 N ATOM 613 CA PHE A 42 15.691 5.247 -2.450 1.00 0.00 C ATOM 614 C PHE A 42 15.753 4.914 -0.963 1.00 0.00 C ATOM 615 O PHE A 42 16.574 5.462 -0.228 1.00 0.00 O ATOM 616 CB PHE A 42 16.973 4.781 -3.142 1.00 0.00 C ATOM 617 CG PHE A 42 17.110 3.287 -3.205 1.00 0.00 C ATOM 618 CD1 PHE A 42 17.360 2.552 -2.058 1.00 0.00 C ATOM 619 CD2 PHE A 42 16.989 2.617 -4.413 1.00 0.00 C ATOM 620 CE1 PHE A 42 17.486 1.176 -2.113 1.00 0.00 C ATOM 621 CE2 PHE A 42 17.116 1.243 -4.475 1.00 0.00 C ATOM 622 CZ PHE A 42 17.364 0.521 -3.323 1.00 0.00 C ATOM 0 HA PHE A 42 14.839 4.724 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.997 5.183 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.832 5.195 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.458 3.059 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.793 3.176 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.680 0.614 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.022 0.734 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.462 -0.554 -3.369 1.00 0.00 H new ATOM 632 N VAL A 43 14.880 4.011 -0.528 1.00 0.00 N ATOM 633 CA VAL A 43 14.836 3.599 0.869 1.00 0.00 C ATOM 634 C VAL A 43 15.003 2.089 0.999 1.00 0.00 C ATOM 635 O VAL A 43 14.165 1.319 0.530 1.00 0.00 O ATOM 636 CB VAL A 43 13.513 4.022 1.539 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.325 3.399 0.821 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.512 3.645 3.016 1.00 0.00 C ATOM 0 H VAL A 43 14.193 3.550 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 43 15.663 4.098 1.374 1.00 0.00 H new ATOM 0 HB VAL A 43 13.424 5.106 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.401 3.710 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.315 3.728 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.407 2.313 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.570 3.952 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.628 2.566 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.338 4.147 3.520 1.00 0.00 H new ATOM 648 N SER A 44 16.091 1.673 1.637 1.00 0.00 N ATOM 649 CA SER A 44 16.366 0.254 1.828 1.00 0.00 C ATOM 650 C SER A 44 15.415 -0.351 2.853 1.00 0.00 C ATOM 651 O SER A 44 14.971 0.327 3.780 1.00 0.00 O ATOM 652 CB SER A 44 17.815 0.051 2.277 1.00 0.00 C ATOM 653 OG SER A 44 18.228 1.085 3.153 1.00 0.00 O ATOM 0 H SER A 44 16.796 2.297 2.030 1.00 0.00 H new ATOM 0 HA SER A 44 16.213 -0.252 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.912 -0.913 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.469 0.026 1.405 1.00 0.00 H new ATOM 0 HG SER A 44 19.156 0.931 3.426 1.00 0.00 H new ATOM 659 N VAL A 45 15.109 -1.633 2.684 1.00 0.00 N ATOM 660 CA VAL A 45 14.212 -2.336 3.596 1.00 0.00 C ATOM 661 C VAL A 45 14.692 -2.210 5.039 1.00 0.00 C ATOM 662 O VAL A 45 13.949 -1.772 5.915 1.00 0.00 O ATOM 663 CB VAL A 45 14.106 -3.830 3.234 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.189 -4.560 4.201 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.622 -4.005 1.804 1.00 0.00 C ATOM 0 H VAL A 45 15.469 -2.208 1.922 1.00 0.00 H new ATOM 0 HA VAL A 45 13.230 -1.873 3.498 1.00 0.00 H new ATOM 0 HB VAL A 45 15.102 -4.266 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.131 -5.612 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.584 -4.473 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.193 -4.119 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.555 -5.067 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.639 -3.546 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.324 -3.527 1.121 1.00 0.00 H new ATOM 675 N GLU A 46 15.941 -2.603 5.273 1.00 0.00 N ATOM 676 CA GLU A 46 16.528 -2.541 6.607 1.00 0.00 C ATOM 677 C GLU A 46 16.272 -1.182 7.254 1.00 0.00 C ATOM 678 O GLU A 46 16.146 -1.076 8.474 1.00 0.00 O ATOM 679 CB GLU A 46 18.031 -2.815 6.537 1.00 0.00 C ATOM 680 CG GLU A 46 18.392 -3.998 5.652 1.00 0.00 C ATOM 681 CD GLU A 46 19.230 -5.035 6.374 1.00 0.00 C ATOM 682 OE1 GLU A 46 19.932 -4.663 7.338 1.00 0.00 O ATOM 683 OE2 GLU A 46 19.185 -6.218 5.977 1.00 0.00 O ATOM 0 H GLU A 46 16.566 -2.968 4.555 1.00 0.00 H new ATOM 0 HA GLU A 46 16.055 -3.307 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.537 -1.925 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.406 -2.997 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.478 -4.466 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.937 -3.640 4.779 1.00 0.00 H new ATOM 690 N GLU A 47 16.184 -0.148 6.424 1.00 0.00 N ATOM 691 CA GLU A 47 15.929 1.203 6.908 1.00 0.00 C ATOM 692 C GLU A 47 14.430 1.456 7.015 1.00 0.00 C ATOM 693 O GLU A 47 13.976 2.228 7.858 1.00 0.00 O ATOM 694 CB GLU A 47 16.566 2.233 5.972 1.00 0.00 C ATOM 695 CG GLU A 47 16.937 3.535 6.662 1.00 0.00 C ATOM 696 CD GLU A 47 15.722 4.368 7.025 1.00 0.00 C ATOM 697 OE1 GLU A 47 15.194 5.066 6.135 1.00 0.00 O ATOM 698 OE2 GLU A 47 15.301 4.323 8.199 1.00 0.00 O ATOM 0 H GLU A 47 16.286 -0.220 5.412 1.00 0.00 H new ATOM 0 HA GLU A 47 16.374 1.303 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.461 1.801 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.875 2.448 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.505 3.314 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.589 4.115 6.009 1.00 0.00 H new ATOM 705 N PHE A 48 13.667 0.793 6.152 1.00 0.00 N ATOM 706 CA PHE A 48 12.216 0.933 6.138 1.00 0.00 C ATOM 707 C PHE A 48 11.597 0.312 7.387 1.00 0.00 C ATOM 708 O PHE A 48 10.613 0.821 7.924 1.00 0.00 O ATOM 709 CB PHE A 48 11.640 0.269 4.885 1.00 0.00 C ATOM 710 CG PHE A 48 10.703 1.149 4.109 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.737 1.901 4.760 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.791 1.222 2.730 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.873 2.710 4.043 1.00 0.00 C ATOM 714 CE2 PHE A 48 9.931 2.029 2.009 1.00 0.00 C ATOM 715 CZ PHE A 48 8.971 2.775 2.667 1.00 0.00 C ATOM 0 H PHE A 48 14.033 0.150 5.450 1.00 0.00 H new ATOM 0 HA PHE A 48 11.974 1.996 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.461 -0.033 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.113 -0.639 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.658 1.855 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.540 0.642 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.122 3.290 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.009 2.077 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.299 3.407 2.106 1.00 0.00 H new ATOM 725 N ARG A 49 12.180 -0.792 7.843 1.00 0.00 N ATOM 726 CA ARG A 49 11.689 -1.487 9.029 1.00 0.00 C ATOM 727 C ARG A 49 11.626 -0.546 10.228 1.00 0.00 C ATOM 728 O ARG A 49 10.597 -0.442 10.894 1.00 0.00 O ATOM 729 CB ARG A 49 12.583 -2.685 9.353 1.00 0.00 C ATOM 730 CG ARG A 49 12.611 -3.736 8.254 1.00 0.00 C ATOM 731 CD ARG A 49 13.292 -5.013 8.723 1.00 0.00 C ATOM 732 NE ARG A 49 14.053 -5.652 7.651 1.00 0.00 N ATOM 733 CZ ARG A 49 13.501 -6.389 6.689 1.00 0.00 C ATOM 734 NH1 ARG A 49 12.187 -6.582 6.661 1.00 0.00 N ATOM 735 NH2 ARG A 49 14.264 -6.934 5.753 1.00 0.00 N ATOM 0 H ARG A 49 12.995 -1.226 7.409 1.00 0.00 H new ATOM 0 HA ARG A 49 10.681 -1.842 8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.598 -2.332 9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.237 -3.147 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.592 -3.960 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.135 -3.341 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.959 -4.784 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.541 -5.708 9.099 1.00 0.00 H new ATOM 0 HE ARG A 49 15.065 -5.526 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.595 -6.165 7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.770 -7.148 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.273 -6.789 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.842 -7.499 5.016 1.00 0.00 H new ATOM 749 N GLY A 50 12.732 0.139 10.495 1.00 0.00 N ATOM 750 CA GLY A 50 12.778 1.065 11.613 1.00 0.00 C ATOM 751 C GLY A 50 11.706 2.133 11.527 1.00 0.00 C ATOM 752 O GLY A 50 11.332 2.730 12.536 1.00 0.00 O ATOM 0 H GLY A 50 13.597 0.070 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.660 0.511 12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.758 1.541 11.647 1.00 0.00 H new ATOM 756 N ILE A 51 11.209 2.375 10.317 1.00 0.00 N ATOM 757 CA ILE A 51 10.173 3.378 10.101 1.00 0.00 C ATOM 758 C ILE A 51 8.780 2.771 10.236 1.00 0.00 C ATOM 759 O ILE A 51 7.820 3.466 10.564 1.00 0.00 O ATOM 760 CB ILE A 51 10.303 4.028 8.710 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.750 4.452 8.455 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.366 5.220 8.589 1.00 0.00 C ATOM 763 CD1 ILE A 51 11.995 4.948 7.046 1.00 0.00 C ATOM 0 H ILE A 51 11.508 1.889 9.471 1.00 0.00 H new ATOM 0 HA ILE A 51 10.309 4.141 10.867 1.00 0.00 H new ATOM 0 HB ILE A 51 10.021 3.294 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.019 5.238 9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.408 3.606 8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.471 5.667 7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.337 4.890 8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.617 5.959 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.042 5.231 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.757 4.157 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.362 5.814 6.850 1.00 0.00 H new ATOM 775 N ILE A 52 8.676 1.471 9.980 1.00 0.00 N ATOM 776 CA ILE A 52 7.398 0.774 10.072 1.00 0.00 C ATOM 777 C ILE A 52 7.205 0.153 11.454 1.00 0.00 C ATOM 778 O ILE A 52 6.078 -0.013 11.918 1.00 0.00 O ATOM 779 CB ILE A 52 7.286 -0.332 9.002 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.448 0.265 7.603 1.00 0.00 C ATOM 781 CG2 ILE A 52 5.953 -1.058 9.122 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.303 1.165 7.191 1.00 0.00 C ATOM 0 H ILE A 52 9.461 0.879 9.707 1.00 0.00 H new ATOM 0 HA ILE A 52 6.619 1.517 9.901 1.00 0.00 H new ATOM 0 HB ILE A 52 8.085 -1.055 9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.377 0.833 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.540 -0.545 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.892 -1.834 8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.874 -1.512 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.138 -0.348 8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.487 1.552 6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.373 0.596 7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.223 1.996 7.892 1.00 0.00 H new ATOM 794 N ARG A 53 8.312 -0.196 12.101 1.00 0.00 N ATOM 795 CA ARG A 53 8.264 -0.806 13.425 1.00 0.00 C ATOM 796 C ARG A 53 7.506 0.075 14.416 1.00 0.00 C ATOM 797 O ARG A 53 6.555 -0.371 15.057 1.00 0.00 O ATOM 798 CB ARG A 53 9.680 -1.067 13.940 1.00 0.00 C ATOM 799 CG ARG A 53 9.810 -2.354 14.740 1.00 0.00 C ATOM 800 CD ARG A 53 11.124 -3.060 14.449 1.00 0.00 C ATOM 801 NE ARG A 53 11.111 -3.727 13.148 1.00 0.00 N ATOM 802 CZ ARG A 53 10.369 -4.796 12.870 1.00 0.00 C ATOM 803 NH1 ARG A 53 9.579 -5.323 13.797 1.00 0.00 N ATOM 804 NH2 ARG A 53 10.418 -5.339 11.662 1.00 0.00 N ATOM 0 H ARG A 53 9.253 -0.067 11.730 1.00 0.00 H new ATOM 0 HA ARG A 53 7.732 -1.753 13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.364 -1.105 13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.991 -0.229 14.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.744 -2.130 15.805 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.979 -3.017 14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.938 -2.336 14.477 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.322 -3.794 15.231 1.00 0.00 H new ATOM 0 HE ARG A 53 11.706 -3.351 12.410 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.538 -4.909 14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.012 -6.142 13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.024 -4.937 10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.850 -6.158 11.448 1.00 0.00 H new ATOM 818 N ASP A 54 7.939 1.326 14.542 1.00 0.00 N ATOM 819 CA ASP A 54 7.304 2.264 15.464 1.00 0.00 C ATOM 820 C ASP A 54 6.576 3.381 14.718 1.00 0.00 C ATOM 821 O ASP A 54 6.226 4.401 15.310 1.00 0.00 O ATOM 822 CB ASP A 54 8.349 2.866 16.404 1.00 0.00 C ATOM 823 CG ASP A 54 8.987 1.823 17.303 1.00 0.00 C ATOM 824 OD1 ASP A 54 8.267 0.908 17.753 1.00 0.00 O ATOM 825 OD2 ASP A 54 10.206 1.924 17.556 1.00 0.00 O ATOM 0 H ASP A 54 8.725 1.713 14.019 1.00 0.00 H new ATOM 0 HA ASP A 54 6.567 1.709 16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.124 3.357 15.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.881 3.635 17.019 1.00 0.00 H new ATOM 830 N GLY A 55 6.351 3.191 13.419 1.00 0.00 N ATOM 831 CA GLY A 55 5.669 4.206 12.637 1.00 0.00 C ATOM 832 C GLY A 55 4.238 3.832 12.309 1.00 0.00 C ATOM 833 O GLY A 55 3.314 4.184 13.044 1.00 0.00 O ATOM 0 H GLY A 55 6.627 2.358 12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.677 5.147 13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.217 4.373 11.710 1.00 0.00 H new ATOM 837 N LEU A 56 4.054 3.124 11.202 1.00 0.00 N ATOM 838 CA LEU A 56 2.723 2.707 10.774 1.00 0.00 C ATOM 839 C LEU A 56 2.451 1.255 11.160 1.00 0.00 C ATOM 840 O LEU A 56 3.330 0.402 11.052 1.00 0.00 O ATOM 841 CB LEU A 56 2.576 2.878 9.260 1.00 0.00 C ATOM 842 CG LEU A 56 2.757 4.308 8.749 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.213 4.732 8.854 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.268 4.424 7.313 1.00 0.00 C ATOM 0 H LEU A 56 4.809 2.826 10.584 1.00 0.00 H new ATOM 0 HA LEU A 56 1.994 3.340 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.305 2.237 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.588 2.525 8.964 1.00 0.00 H new ATOM 0 HG LEU A 56 2.161 4.975 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.322 5.752 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.531 4.686 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.831 4.062 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.404 5.448 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.838 3.746 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.211 4.162 7.266 1.00 0.00 H new ATOM 856 N PRO A 57 1.220 0.954 11.615 1.00 0.00 N ATOM 857 CA PRO A 57 0.839 -0.402 12.013 1.00 0.00 C ATOM 858 C PRO A 57 0.593 -1.307 10.814 1.00 0.00 C ATOM 859 O PRO A 57 -0.301 -1.056 10.005 1.00 0.00 O ATOM 860 CB PRO A 57 -0.454 -0.184 12.797 1.00 0.00 C ATOM 861 CG PRO A 57 -1.051 1.041 12.197 1.00 0.00 C ATOM 862 CD PRO A 57 0.106 1.909 11.774 1.00 0.00 C ATOM 0 HA PRO A 57 1.622 -0.899 12.585 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.124 -1.039 12.704 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.256 -0.049 13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.681 0.789 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.683 1.559 12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.107 2.434 10.843 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.333 2.667 12.523 1.00 0.00 H new ATOM 870 N MET A 58 1.395 -2.356 10.705 1.00 0.00 N ATOM 871 CA MET A 58 1.272 -3.300 9.607 1.00 0.00 C ATOM 872 C MET A 58 1.784 -4.676 10.016 1.00 0.00 C ATOM 873 O MET A 58 2.821 -4.795 10.669 1.00 0.00 O ATOM 874 CB MET A 58 2.048 -2.794 8.387 1.00 0.00 C ATOM 875 CG MET A 58 1.189 -2.611 7.146 1.00 0.00 C ATOM 876 SD MET A 58 2.027 -1.678 5.850 1.00 0.00 S ATOM 877 CE MET A 58 2.513 -2.996 4.737 1.00 0.00 C ATOM 0 H MET A 58 2.140 -2.574 11.367 1.00 0.00 H new ATOM 0 HA MET A 58 0.217 -3.388 9.348 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.518 -1.842 8.636 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.851 -3.496 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.905 -3.589 6.758 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.267 -2.097 7.420 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.246 -2.618 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.951 -3.813 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.637 -3.359 4.199 1.00 0.00 H new ATOM 887 N THR A 59 1.057 -5.713 9.621 1.00 0.00 N ATOM 888 CA THR A 59 1.444 -7.084 9.938 1.00 0.00 C ATOM 889 C THR A 59 2.606 -7.533 9.056 1.00 0.00 C ATOM 890 O THR A 59 2.703 -7.131 7.896 1.00 0.00 O ATOM 891 CB THR A 59 0.257 -8.034 9.759 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.730 -7.456 8.924 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.407 -8.413 11.067 1.00 0.00 C ATOM 0 H THR A 59 0.196 -5.632 9.080 1.00 0.00 H new ATOM 0 HA THR A 59 1.763 -7.112 10.980 1.00 0.00 H new ATOM 0 HB THR A 59 0.673 -8.934 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.479 -8.080 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.240 -9.088 10.870 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.317 -8.910 11.712 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.777 -7.515 11.561 1.00 0.00 H new ATOM 901 N GLU A 60 3.476 -8.375 9.609 1.00 0.00 N ATOM 902 CA GLU A 60 4.635 -8.892 8.878 1.00 0.00 C ATOM 903 C GLU A 60 4.276 -9.198 7.434 1.00 0.00 C ATOM 904 O GLU A 60 4.929 -8.739 6.505 1.00 0.00 O ATOM 905 CB GLU A 60 5.155 -10.163 9.548 1.00 0.00 C ATOM 906 CG GLU A 60 4.055 -11.130 9.964 1.00 0.00 C ATOM 907 CD GLU A 60 4.292 -11.729 11.336 1.00 0.00 C ATOM 908 OE1 GLU A 60 5.470 -11.852 11.735 1.00 0.00 O ATOM 909 OE2 GLU A 60 3.301 -12.074 12.012 1.00 0.00 O ATOM 0 H GLU A 60 3.401 -8.717 10.567 1.00 0.00 H new ATOM 0 HA GLU A 60 5.410 -8.125 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.834 -10.672 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.736 -9.887 10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.098 -10.609 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.984 -11.932 9.229 1.00 0.00 H new ATOM 916 N ALA A 61 3.223 -9.974 7.266 1.00 0.00 N ATOM 917 CA ALA A 61 2.743 -10.355 5.947 1.00 0.00 C ATOM 918 C ALA A 61 2.676 -9.149 5.018 1.00 0.00 C ATOM 919 O ALA A 61 3.240 -9.166 3.930 1.00 0.00 O ATOM 920 CB ALA A 61 1.381 -11.015 6.069 1.00 0.00 C ATOM 0 H ALA A 61 2.676 -10.359 8.036 1.00 0.00 H new ATOM 0 HA ALA A 61 3.445 -11.066 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.024 -11.299 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.462 -11.904 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.677 -10.316 6.521 1.00 0.00 H new ATOM 926 N GLU A 62 1.995 -8.098 5.458 1.00 0.00 N ATOM 927 CA GLU A 62 1.878 -6.883 4.651 1.00 0.00 C ATOM 928 C GLU A 62 3.261 -6.365 4.283 1.00 0.00 C ATOM 929 O GLU A 62 3.612 -6.284 3.108 1.00 0.00 O ATOM 930 CB GLU A 62 1.102 -5.786 5.392 1.00 0.00 C ATOM 931 CG GLU A 62 0.184 -6.297 6.489 1.00 0.00 C ATOM 932 CD GLU A 62 -0.981 -5.367 6.758 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.719 -5.048 5.801 1.00 0.00 O ATOM 934 OE2 GLU A 62 -1.158 -4.955 7.924 1.00 0.00 O ATOM 0 H GLU A 62 1.519 -8.059 6.359 1.00 0.00 H new ATOM 0 HA GLU A 62 1.327 -7.140 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.814 -5.086 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.508 -5.227 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.198 -7.279 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.758 -6.428 7.406 1.00 0.00 H new ATOM 941 N ILE A 63 4.042 -6.022 5.301 1.00 0.00 N ATOM 942 CA ILE A 63 5.398 -5.513 5.094 1.00 0.00 C ATOM 943 C ILE A 63 6.257 -6.527 4.351 1.00 0.00 C ATOM 944 O ILE A 63 6.748 -6.258 3.258 1.00 0.00 O ATOM 945 CB ILE A 63 6.094 -5.171 6.426 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.122 -4.496 7.389 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.300 -4.279 6.179 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.640 -5.424 8.475 1.00 0.00 C ATOM 0 H ILE A 63 3.762 -6.086 6.280 1.00 0.00 H new ATOM 0 HA ILE A 63 5.296 -4.605 4.500 1.00 0.00 H new ATOM 0 HB ILE A 63 6.434 -6.101 6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.608 -3.633 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.265 -4.121 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.781 -4.046 7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.008 -4.796 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.977 -3.355 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.952 -4.891 9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.128 -6.275 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.492 -5.779 9.055 1.00 0.00 H new ATOM 960 N THR A 64 6.435 -7.692 4.961 1.00 0.00 N ATOM 961 CA THR A 64 7.235 -8.762 4.377 1.00 0.00 C ATOM 962 C THR A 64 6.797 -9.062 2.950 1.00 0.00 C ATOM 963 O THR A 64 7.616 -9.088 2.032 1.00 0.00 O ATOM 964 CB THR A 64 7.105 -10.023 5.223 1.00 0.00 C ATOM 965 OG1 THR A 64 7.631 -9.818 6.522 1.00 0.00 O ATOM 966 CG2 THR A 64 7.800 -11.226 4.624 1.00 0.00 C ATOM 0 H THR A 64 6.032 -7.921 5.869 1.00 0.00 H new ATOM 0 HA THR A 64 8.274 -8.434 4.356 1.00 0.00 H new ATOM 0 HB THR A 64 6.036 -10.230 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.945 -9.412 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.666 -12.087 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.371 -11.444 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.864 -11.015 4.515 1.00 0.00 H new ATOM 974 N GLU A 65 5.500 -9.284 2.766 1.00 0.00 N ATOM 975 CA GLU A 65 4.972 -9.576 1.438 1.00 0.00 C ATOM 976 C GLU A 65 5.130 -8.376 0.533 1.00 0.00 C ATOM 977 O GLU A 65 5.033 -8.473 -0.691 1.00 0.00 O ATOM 978 CB GLU A 65 3.505 -9.993 1.505 1.00 0.00 C ATOM 979 CG GLU A 65 2.990 -10.623 0.222 1.00 0.00 C ATOM 980 CD GLU A 65 1.974 -11.721 0.478 1.00 0.00 C ATOM 981 OE1 GLU A 65 0.847 -11.397 0.906 1.00 0.00 O ATOM 982 OE2 GLU A 65 2.307 -12.902 0.248 1.00 0.00 O ATOM 0 H GLU A 65 4.802 -9.268 3.510 1.00 0.00 H new ATOM 0 HA GLU A 65 5.543 -10.409 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.374 -10.700 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.898 -9.118 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.537 -9.852 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.829 -11.033 -0.339 1.00 0.00 H new ATOM 989 N PHE A 66 5.390 -7.255 1.157 1.00 0.00 N ATOM 990 CA PHE A 66 5.591 -6.009 0.447 1.00 0.00 C ATOM 991 C PHE A 66 7.077 -5.765 0.213 1.00 0.00 C ATOM 992 O PHE A 66 7.462 -5.067 -0.728 1.00 0.00 O ATOM 993 CB PHE A 66 4.982 -4.835 1.221 1.00 0.00 C ATOM 994 CG PHE A 66 3.522 -4.612 0.938 1.00 0.00 C ATOM 995 CD1 PHE A 66 2.688 -5.675 0.621 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.982 -3.337 0.992 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.347 -5.468 0.363 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.641 -3.125 0.733 1.00 0.00 C ATOM 999 CZ PHE A 66 0.823 -4.192 0.419 1.00 0.00 C ATOM 0 H PHE A 66 5.469 -7.176 2.171 1.00 0.00 H new ATOM 0 HA PHE A 66 5.088 -6.084 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.113 -5.009 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.533 -3.927 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.092 -6.675 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.617 -2.499 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.709 -6.304 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.233 -2.126 0.776 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.225 -4.029 0.217 1.00 0.00 H new ATOM 1009 N PHE A 67 7.913 -6.345 1.072 1.00 0.00 N ATOM 1010 CA PHE A 67 9.359 -6.190 0.956 1.00 0.00 C ATOM 1011 C PHE A 67 9.919 -7.130 -0.107 1.00 0.00 C ATOM 1012 O PHE A 67 10.935 -6.835 -0.738 1.00 0.00 O ATOM 1013 CB PHE A 67 10.034 -6.463 2.303 1.00 0.00 C ATOM 1014 CG PHE A 67 10.069 -5.279 3.236 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.073 -3.977 2.753 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.101 -5.477 4.609 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.106 -2.901 3.622 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.138 -4.405 5.479 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.139 -3.116 4.986 1.00 0.00 C ATOM 0 H PHE A 67 7.613 -6.926 1.855 1.00 0.00 H new ATOM 0 HA PHE A 67 9.568 -5.163 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.513 -7.283 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.056 -6.797 2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.050 -3.803 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.097 -6.483 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.106 -1.893 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.166 -4.575 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.166 -2.277 5.665 1.00 0.00 H new ATOM 1029 N GLU A 68 9.249 -8.263 -0.302 1.00 0.00 N ATOM 1030 CA GLU A 68 9.680 -9.244 -1.290 1.00 0.00 C ATOM 1031 C GLU A 68 9.110 -8.915 -2.667 1.00 0.00 C ATOM 1032 O GLU A 68 9.723 -9.214 -3.691 1.00 0.00 O ATOM 1033 CB GLU A 68 9.244 -10.649 -0.868 1.00 0.00 C ATOM 1034 CG GLU A 68 7.773 -10.743 -0.495 1.00 0.00 C ATOM 1035 CD GLU A 68 7.052 -11.852 -1.234 1.00 0.00 C ATOM 1036 OE1 GLU A 68 7.176 -11.917 -2.475 1.00 0.00 O ATOM 1037 OE2 GLU A 68 6.362 -12.655 -0.573 1.00 0.00 O ATOM 0 H GLU A 68 8.407 -8.523 0.211 1.00 0.00 H new ATOM 0 HA GLU A 68 10.768 -9.210 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.449 -11.344 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.847 -10.968 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.685 -10.910 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.286 -9.792 -0.711 1.00 0.00 H new ATOM 1044 N ALA A 69 7.934 -8.296 -2.683 1.00 0.00 N ATOM 1045 CA ALA A 69 7.281 -7.926 -3.934 1.00 0.00 C ATOM 1046 C ALA A 69 7.910 -6.690 -4.551 1.00 0.00 C ATOM 1047 O ALA A 69 7.642 -6.337 -5.699 1.00 0.00 O ATOM 1048 CB ALA A 69 5.802 -7.698 -3.704 1.00 0.00 C ATOM 0 H ALA A 69 7.414 -8.040 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 69 7.414 -8.751 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.326 -7.422 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.348 -8.612 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.666 -6.895 -2.980 1.00 0.00 H new ATOM 1054 N ALA A 70 8.745 -6.050 -3.771 1.00 0.00 N ATOM 1055 CA ALA A 70 9.442 -4.844 -4.199 1.00 0.00 C ATOM 1056 C ALA A 70 10.863 -5.164 -4.650 1.00 0.00 C ATOM 1057 O ALA A 70 11.420 -4.485 -5.512 1.00 0.00 O ATOM 1058 CB ALA A 70 9.459 -3.818 -3.077 1.00 0.00 C ATOM 0 H ALA A 70 8.967 -6.344 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 70 8.905 -4.425 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.983 -2.922 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.436 -3.560 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.971 -4.236 -2.210 1.00 0.00 H new ATOM 1064 N ASP A 71 11.444 -6.204 -4.059 1.00 0.00 N ATOM 1065 CA ASP A 71 12.801 -6.618 -4.400 1.00 0.00 C ATOM 1066 C ASP A 71 12.829 -8.087 -4.824 1.00 0.00 C ATOM 1067 O ASP A 71 12.512 -8.972 -4.030 1.00 0.00 O ATOM 1068 CB ASP A 71 13.734 -6.401 -3.207 1.00 0.00 C ATOM 1069 CG ASP A 71 15.171 -6.178 -3.631 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.393 -5.769 -4.790 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.078 -6.415 -2.804 1.00 0.00 O ATOM 0 H ASP A 71 10.997 -6.775 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 71 13.144 -6.010 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.390 -5.541 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.683 -7.267 -2.547 1.00 0.00 H new ATOM 1076 N PRO A 72 13.210 -8.369 -6.083 1.00 0.00 N ATOM 1077 CA PRO A 72 13.272 -9.742 -6.596 1.00 0.00 C ATOM 1078 C PRO A 72 14.334 -10.577 -5.888 1.00 0.00 C ATOM 1079 O PRO A 72 14.061 -11.685 -5.425 1.00 0.00 O ATOM 1080 CB PRO A 72 13.632 -9.563 -8.074 1.00 0.00 C ATOM 1081 CG PRO A 72 14.274 -8.222 -8.155 1.00 0.00 C ATOM 1082 CD PRO A 72 13.608 -7.382 -7.103 1.00 0.00 C ATOM 0 HA PRO A 72 12.335 -10.275 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.310 -10.346 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.745 -9.615 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.347 -8.292 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.142 -7.785 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.288 -6.634 -6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.747 -6.846 -7.502 1.00 0.00 H new ATOM 1090 N ASN A 73 15.546 -10.039 -5.805 1.00 0.00 N ATOM 1091 CA ASN A 73 16.648 -10.735 -5.151 1.00 0.00 C ATOM 1092 C ASN A 73 16.412 -10.833 -3.646 1.00 0.00 C ATOM 1093 O ASN A 73 16.816 -11.804 -3.006 1.00 0.00 O ATOM 1094 CB ASN A 73 17.974 -10.020 -5.428 1.00 0.00 C ATOM 1095 CG ASN A 73 17.872 -8.517 -5.257 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.047 -8.023 -4.488 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.714 -7.781 -5.974 1.00 0.00 N ATOM 0 H ASN A 73 15.790 -9.123 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 73 16.699 -11.744 -5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.739 -10.408 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.299 -10.245 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.693 -6.764 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.381 -8.233 -6.599 1.00 0.00 H new ATOM 1104 N ASN A 74 15.756 -9.819 -3.089 1.00 0.00 N ATOM 1105 CA ASN A 74 15.460 -9.779 -1.659 1.00 0.00 C ATOM 1106 C ASN A 74 16.711 -9.434 -0.861 1.00 0.00 C ATOM 1107 O ASN A 74 17.075 -10.138 0.080 1.00 0.00 O ATOM 1108 CB ASN A 74 14.884 -11.116 -1.182 1.00 0.00 C ATOM 1109 CG ASN A 74 13.850 -11.677 -2.138 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.159 -12.516 -2.984 1.00 0.00 O ATOM 1111 ND2 ASN A 74 12.612 -11.215 -2.007 1.00 0.00 N ATOM 0 H ASN A 74 15.417 -9.010 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 74 14.713 -9.002 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.694 -11.836 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.431 -10.983 -0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.873 -11.556 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.400 -10.519 -1.292 1.00 0.00 H new ATOM 1118 N THR A 75 17.363 -8.342 -1.244 1.00 0.00 N ATOM 1119 CA THR A 75 18.572 -7.902 -0.564 1.00 0.00 C ATOM 1120 C THR A 75 18.250 -6.815 0.456 1.00 0.00 C ATOM 1121 O THR A 75 19.073 -5.943 0.729 1.00 0.00 O ATOM 1122 CB THR A 75 19.595 -7.380 -1.573 1.00 0.00 C ATOM 1123 OG1 THR A 75 19.236 -6.089 -2.030 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.745 -8.271 -2.787 1.00 0.00 C ATOM 0 H THR A 75 17.074 -7.747 -2.021 1.00 0.00 H new ATOM 0 HA THR A 75 18.997 -8.759 -0.041 1.00 0.00 H new ATOM 0 HB THR A 75 20.544 -7.359 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.296 -6.089 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.486 -7.843 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 75 20.070 -9.263 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.787 -8.350 -3.301 1.00 0.00 H new ATOM 1132 N GLY A 76 17.043 -6.872 1.011 1.00 0.00 N ATOM 1133 CA GLY A 76 16.631 -5.884 1.989 1.00 0.00 C ATOM 1134 C GLY A 76 16.676 -4.475 1.436 1.00 0.00 C ATOM 1135 O GLY A 76 16.828 -3.510 2.186 1.00 0.00 O ATOM 0 H GLY A 76 16.344 -7.585 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.618 -6.108 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.278 -5.950 2.864 1.00 0.00 H new ATOM 1139 N PHE A 77 16.543 -4.353 0.118 1.00 0.00 N ATOM 1140 CA PHE A 77 16.567 -3.051 -0.531 1.00 0.00 C ATOM 1141 C PHE A 77 15.346 -2.871 -1.428 1.00 0.00 C ATOM 1142 O PHE A 77 15.019 -3.745 -2.230 1.00 0.00 O ATOM 1143 CB PHE A 77 17.849 -2.886 -1.352 1.00 0.00 C ATOM 1144 CG PHE A 77 18.957 -2.203 -0.606 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.417 -2.711 0.599 1.00 0.00 C ATOM 1146 CD2 PHE A 77 19.541 -1.051 -1.108 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.437 -2.083 1.288 1.00 0.00 C ATOM 1148 CE2 PHE A 77 20.562 -0.418 -0.424 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.011 -0.935 0.776 1.00 0.00 C ATOM 0 H PHE A 77 16.418 -5.140 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 77 16.544 -2.286 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.192 -3.869 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.623 -2.315 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.973 -3.608 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.194 -0.642 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 77 20.785 -2.489 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.008 0.479 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 77 21.809 -0.443 1.313 1.00 0.00 H new ATOM 1159 N ILE A 78 14.674 -1.734 -1.282 1.00 0.00 N ATOM 1160 CA ILE A 78 13.486 -1.443 -2.076 1.00 0.00 C ATOM 1161 C ILE A 78 13.777 -0.424 -3.165 1.00 0.00 C ATOM 1162 O ILE A 78 14.638 0.444 -3.014 1.00 0.00 O ATOM 1163 CB ILE A 78 12.341 -0.875 -1.204 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.867 -1.899 -0.182 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.167 -0.431 -2.070 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.725 -1.389 0.667 1.00 0.00 C ATOM 0 H ILE A 78 14.931 -1.000 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 78 13.185 -2.392 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 78 12.736 -0.009 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.553 -2.805 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.700 -2.174 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.375 -0.036 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.498 0.344 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.788 -1.283 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.428 -2.160 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.044 -0.499 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.879 -1.140 0.027 1.00 0.00 H new ATOM 1178 N ASP A 79 13.006 -0.504 -4.238 1.00 0.00 N ATOM 1179 CA ASP A 79 13.120 0.441 -5.331 1.00 0.00 C ATOM 1180 C ASP A 79 12.025 1.483 -5.162 1.00 0.00 C ATOM 1181 O ASP A 79 10.881 1.253 -5.548 1.00 0.00 O ATOM 1182 CB ASP A 79 12.984 -0.267 -6.681 1.00 0.00 C ATOM 1183 CG ASP A 79 13.984 0.237 -7.702 1.00 0.00 C ATOM 1184 OD1 ASP A 79 13.701 1.265 -8.353 1.00 0.00 O ATOM 1185 OD2 ASP A 79 15.051 -0.394 -7.851 1.00 0.00 O ATOM 0 H ASP A 79 12.291 -1.219 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 79 14.101 0.916 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.121 -1.339 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.974 -0.122 -7.064 1.00 0.00 H new ATOM 1190 N TYR A 80 12.378 2.607 -4.538 1.00 0.00 N ATOM 1191 CA TYR A 80 11.428 3.688 -4.262 1.00 0.00 C ATOM 1192 C TYR A 80 10.302 3.748 -5.293 1.00 0.00 C ATOM 1193 O TYR A 80 9.140 3.949 -4.942 1.00 0.00 O ATOM 1194 CB TYR A 80 12.153 5.032 -4.213 1.00 0.00 C ATOM 1195 CG TYR A 80 11.289 6.170 -3.721 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.435 6.842 -4.586 1.00 0.00 C ATOM 1197 CD2 TYR A 80 11.326 6.572 -2.392 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.643 7.884 -4.141 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.536 7.612 -1.939 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.697 8.265 -2.817 1.00 0.00 C ATOM 1201 OH TYR A 80 8.910 9.300 -2.369 1.00 0.00 O ATOM 0 H TYR A 80 13.326 2.795 -4.210 1.00 0.00 H new ATOM 0 HA TYR A 80 10.978 3.477 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.024 4.942 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.522 5.272 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.389 6.546 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.983 6.064 -1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.985 8.397 -4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.576 7.912 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 80 9.068 9.440 -1.412 1.00 0.00 H new ATOM 1211 N LYS A 81 10.651 3.569 -6.562 1.00 0.00 N ATOM 1212 CA LYS A 81 9.659 3.601 -7.629 1.00 0.00 C ATOM 1213 C LYS A 81 8.692 2.431 -7.499 1.00 0.00 C ATOM 1214 O LYS A 81 7.479 2.624 -7.409 1.00 0.00 O ATOM 1215 CB LYS A 81 10.343 3.571 -8.997 1.00 0.00 C ATOM 1216 CG LYS A 81 10.694 4.950 -9.531 1.00 0.00 C ATOM 1217 CD LYS A 81 12.110 5.351 -9.149 1.00 0.00 C ATOM 1218 CE LYS A 81 12.583 6.554 -9.947 1.00 0.00 C ATOM 1219 NZ LYS A 81 13.421 7.471 -9.127 1.00 0.00 N ATOM 0 H LYS A 81 11.607 3.401 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 81 9.094 4.529 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.253 2.975 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.689 3.070 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.593 4.958 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.989 5.683 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.149 5.581 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.785 4.512 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.155 6.214 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.719 7.097 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.723 8.278 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.868 7.816 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.259 6.960 -8.782 1.00 0.00 H new ATOM 1233 N ALA A 82 9.233 1.217 -7.475 1.00 0.00 N ATOM 1234 CA ALA A 82 8.412 0.018 -7.337 1.00 0.00 C ATOM 1235 C ALA A 82 7.496 0.132 -6.123 1.00 0.00 C ATOM 1236 O ALA A 82 6.424 -0.474 -6.079 1.00 0.00 O ATOM 1237 CB ALA A 82 9.291 -1.219 -7.218 1.00 0.00 C ATOM 0 H ALA A 82 10.234 1.037 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 82 7.794 -0.078 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.662 -2.104 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.909 -1.314 -8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.932 -1.127 -6.342 1.00 0.00 H new ATOM 1243 N PHE A 83 7.930 0.916 -5.143 1.00 0.00 N ATOM 1244 CA PHE A 83 7.160 1.120 -3.924 1.00 0.00 C ATOM 1245 C PHE A 83 6.226 2.317 -4.067 1.00 0.00 C ATOM 1246 O PHE A 83 5.140 2.344 -3.488 1.00 0.00 O ATOM 1247 CB PHE A 83 8.104 1.325 -2.738 1.00 0.00 C ATOM 1248 CG PHE A 83 7.910 0.313 -1.649 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.156 -1.029 -1.887 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.478 0.698 -0.390 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.977 -1.967 -0.892 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.296 -0.237 0.611 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.546 -1.573 0.359 1.00 0.00 C ATOM 0 H PHE A 83 8.815 1.422 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 83 6.552 0.233 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.135 1.278 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.952 2.324 -2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.492 -1.345 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.281 1.741 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.174 -3.010 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.959 0.075 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.405 -2.307 1.139 1.00 0.00 H new ATOM 1263 N ALA A 84 6.658 3.307 -4.842 1.00 0.00 N ATOM 1264 CA ALA A 84 5.863 4.509 -5.065 1.00 0.00 C ATOM 1265 C ALA A 84 4.715 4.240 -6.031 1.00 0.00 C ATOM 1266 O ALA A 84 3.598 4.711 -5.824 1.00 0.00 O ATOM 1267 CB ALA A 84 6.743 5.634 -5.587 1.00 0.00 C ATOM 0 H ALA A 84 7.556 3.300 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 84 5.433 4.811 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.136 6.525 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.523 5.854 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.201 5.331 -6.528 1.00 0.00 H new ATOM 1273 N ALA A 85 4.999 3.478 -7.084 1.00 0.00 N ATOM 1274 CA ALA A 85 3.987 3.145 -8.085 1.00 0.00 C ATOM 1275 C ALA A 85 2.836 2.355 -7.490 1.00 0.00 C ATOM 1276 O ALA A 85 1.792 2.174 -8.117 1.00 0.00 O ATOM 1277 CB ALA A 85 4.616 2.380 -9.233 1.00 0.00 C ATOM 0 H ALA A 85 5.920 3.080 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 85 3.577 4.082 -8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.851 2.138 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.389 2.992 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.061 1.459 -8.856 1.00 0.00 H new ATOM 1283 N MET A 86 3.042 1.894 -6.281 1.00 0.00 N ATOM 1284 CA MET A 86 2.041 1.119 -5.565 1.00 0.00 C ATOM 1285 C MET A 86 0.970 2.024 -4.961 1.00 0.00 C ATOM 1286 O MET A 86 -0.133 1.569 -4.656 1.00 0.00 O ATOM 1287 CB MET A 86 2.703 0.291 -4.463 1.00 0.00 C ATOM 1288 CG MET A 86 3.684 -0.745 -4.986 1.00 0.00 C ATOM 1289 SD MET A 86 2.876 -2.282 -5.472 1.00 0.00 S ATOM 1290 CE MET A 86 4.003 -2.871 -6.735 1.00 0.00 C ATOM 0 H MET A 86 3.906 2.042 -5.760 1.00 0.00 H new ATOM 0 HA MET A 86 1.561 0.450 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.225 0.961 -3.780 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.929 -0.213 -3.884 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.219 -0.334 -5.842 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.427 -0.957 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.639 -3.818 -7.135 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.064 -2.137 -7.539 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.992 -3.017 -6.301 1.00 0.00 H new ATOM 1300 N LEU A 87 1.297 3.302 -4.777 1.00 0.00 N ATOM 1301 CA LEU A 87 0.346 4.249 -4.197 1.00 0.00 C ATOM 1302 C LEU A 87 -0.321 5.110 -5.246 1.00 0.00 C ATOM 1303 O LEU A 87 -1.347 5.745 -5.004 1.00 0.00 O ATOM 1304 CB LEU A 87 1.030 5.126 -3.153 1.00 0.00 C ATOM 1305 CG LEU A 87 1.778 4.367 -2.056 1.00 0.00 C ATOM 1306 CD1 LEU A 87 2.735 5.293 -1.323 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.795 3.733 -1.082 1.00 0.00 C ATOM 0 H LEU A 87 2.203 3.703 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.434 3.660 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.733 5.786 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.277 5.761 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 87 2.361 3.573 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.258 4.735 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.460 5.699 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.174 6.110 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.344 3.197 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.186 4.511 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.150 3.036 -1.618 1.00 0.00 H new ATOM 1319 N TYR A 88 0.266 5.102 -6.405 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.249 5.858 -7.544 1.00 0.00 C ATOM 1321 C TYR A 88 -0.402 4.971 -8.775 1.00 0.00 C ATOM 1322 O TYR A 88 -0.443 5.460 -9.904 1.00 0.00 O ATOM 1323 CB TYR A 88 0.643 7.069 -7.854 1.00 0.00 C ATOM 1324 CG TYR A 88 2.005 6.727 -8.419 1.00 0.00 C ATOM 1325 CD1 TYR A 88 2.177 6.479 -9.776 1.00 0.00 C ATOM 1326 CD2 TYR A 88 3.122 6.666 -7.596 1.00 0.00 C ATOM 1327 CE1 TYR A 88 3.423 6.179 -10.294 1.00 0.00 C ATOM 1328 CE2 TYR A 88 4.371 6.368 -8.108 1.00 0.00 C ATOM 1329 CZ TYR A 88 4.516 6.124 -9.456 1.00 0.00 C ATOM 1330 OH TYR A 88 5.757 5.826 -9.968 1.00 0.00 O ATOM 0 H TYR A 88 1.117 4.576 -6.604 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.238 6.227 -7.272 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.123 7.714 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.779 7.646 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.323 6.521 -10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.013 6.855 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.540 5.989 -11.351 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.229 6.327 -7.454 1.00 0.00 H new ATOM 0 HH TYR A 88 6.418 5.829 -9.245 1.00 0.00 H new ATOM 1340 N SER A 89 -0.496 3.664 -8.552 1.00 0.00 N ATOM 1341 CA SER A 89 -0.650 2.711 -9.645 1.00 0.00 C ATOM 1342 C SER A 89 -1.953 2.958 -10.401 1.00 0.00 C ATOM 1343 O SER A 89 -2.969 2.315 -10.135 1.00 0.00 O ATOM 1344 CB SER A 89 -0.623 1.278 -9.108 1.00 0.00 C ATOM 1345 OG SER A 89 -0.945 1.243 -7.728 1.00 0.00 O ATOM 0 H SER A 89 -0.468 3.241 -7.624 1.00 0.00 H new ATOM 0 HA SER A 89 0.183 2.849 -10.335 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.331 0.664 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.366 0.846 -9.265 1.00 0.00 H new ATOM 0 HG SER A 89 -0.922 0.316 -7.410 1.00 0.00 H new