USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 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+ 146:sc= -2.46! (180deg=-4.97!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.28) USER MOD Single : A 44 SER OG : rot -127:sc= 1.33 USER MOD Single : A 58 MET CE :methyl 180:sc= -5.78! (180deg=-5.78!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -2.04 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 74 ASN : amide:sc= -3.06 K(o=-3.1,f=-6.2!) USER MOD Single : A 75 THR OG1 : rot -66:sc= 2.2 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= -0.354 (180deg=-1.47!) USER MOD Single : A 86 MET CE :methyl 154:sc=-0.00825 (180deg=-0.727) USER MOD Single : A 88 TYR OH : rot -44:sc= 0.816 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N LYS A 25 -5.145 2.548 1.383 1.00 0.00 N ATOM 351 CA LYS A 25 -3.916 3.241 1.021 1.00 0.00 C ATOM 352 C LYS A 25 -3.714 4.474 1.897 1.00 0.00 C ATOM 353 O LYS A 25 -2.585 4.902 2.133 1.00 0.00 O ATOM 354 CB LYS A 25 -3.949 3.647 -0.454 1.00 0.00 C ATOM 355 CG LYS A 25 -2.704 4.391 -0.911 1.00 0.00 C ATOM 356 CD LYS A 25 -2.934 5.894 -0.942 1.00 0.00 C ATOM 357 CE LYS A 25 -1.622 6.656 -1.034 1.00 0.00 C ATOM 358 NZ LYS A 25 -1.832 8.084 -1.396 1.00 0.00 N ATOM 0 HA LYS A 25 -3.080 2.560 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.072 2.753 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.822 4.276 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.875 4.162 -0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.416 4.045 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.565 6.149 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.471 6.200 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.100 6.597 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.980 6.184 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.116 8.671 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.746 8.197 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.781 8.383 -1.093 1.00 0.00 H new ATOM 372 N THR A 26 -4.820 5.041 2.374 1.00 0.00 N ATOM 373 CA THR A 26 -4.765 6.225 3.222 1.00 0.00 C ATOM 374 C THR A 26 -4.121 5.899 4.562 1.00 0.00 C ATOM 375 O THR A 26 -3.491 6.757 5.180 1.00 0.00 O ATOM 376 CB THR A 26 -6.158 6.822 3.422 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.160 5.934 2.961 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.342 8.142 2.699 1.00 0.00 C ATOM 0 H THR A 26 -5.763 4.699 2.187 1.00 0.00 H new ATOM 0 HA THR A 26 -4.149 6.970 2.719 1.00 0.00 H new ATOM 0 HB THR A 26 -6.253 6.991 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.043 6.336 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.350 8.517 2.878 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.615 8.864 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.194 7.995 1.629 1.00 0.00 H new ATOM 386 N GLN A 27 -4.253 4.652 4.997 1.00 0.00 N ATOM 387 CA GLN A 27 -3.646 4.230 6.253 1.00 0.00 C ATOM 388 C GLN A 27 -2.134 4.438 6.188 1.00 0.00 C ATOM 389 O GLN A 27 -1.466 4.579 7.213 1.00 0.00 O ATOM 390 CB GLN A 27 -3.964 2.760 6.534 1.00 0.00 C ATOM 391 CG GLN A 27 -5.305 2.549 7.218 1.00 0.00 C ATOM 392 CD GLN A 27 -6.373 2.051 6.265 1.00 0.00 C ATOM 393 OE1 GLN A 27 -6.322 0.915 5.793 1.00 0.00 O ATOM 394 NE2 GLN A 27 -7.350 2.903 5.976 1.00 0.00 N ATOM 0 H GLN A 27 -4.769 3.922 4.505 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.057 4.832 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.954 2.208 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.176 2.339 7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.186 1.832 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.632 3.487 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.353 3.835 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.097 2.625 5.340 1.00 0.00 H new ATOM 403 N LEU A 28 -1.610 4.462 4.964 1.00 0.00 N ATOM 404 CA LEU A 28 -0.185 4.662 4.729 1.00 0.00 C ATOM 405 C LEU A 28 0.161 6.138 4.627 1.00 0.00 C ATOM 406 O LEU A 28 1.328 6.528 4.634 1.00 0.00 O ATOM 407 CB LEU A 28 0.228 3.948 3.449 1.00 0.00 C ATOM 408 CG LEU A 28 1.736 3.865 3.206 1.00 0.00 C ATOM 409 CD1 LEU A 28 2.117 2.502 2.651 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.185 4.971 2.259 1.00 0.00 C ATOM 0 H LEU A 28 -2.159 4.344 4.113 1.00 0.00 H new ATOM 0 HA LEU A 28 0.359 4.247 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.177 2.936 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.233 4.458 2.603 1.00 0.00 H new ATOM 0 HG LEU A 28 2.244 3.999 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.194 2.465 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.832 1.727 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.599 2.336 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.260 4.897 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.667 4.867 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.950 5.942 2.696 1.00 0.00 H new ATOM 422 N ILE A 29 -0.874 6.938 4.530 1.00 0.00 N ATOM 423 CA ILE A 29 -0.742 8.391 4.420 1.00 0.00 C ATOM 424 C ILE A 29 -0.202 9.006 5.689 1.00 0.00 C ATOM 425 O ILE A 29 0.222 10.161 5.724 1.00 0.00 O ATOM 426 CB ILE A 29 -2.090 9.036 4.082 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.603 8.517 2.744 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.990 10.558 4.078 1.00 0.00 C ATOM 429 CD1 ILE A 29 -1.944 9.142 1.542 1.00 0.00 C ATOM 0 H ILE A 29 -1.839 6.609 4.524 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.032 8.582 3.615 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.805 8.759 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.454 7.438 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.677 8.693 2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.963 10.986 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.677 10.905 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.259 10.873 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.368 8.716 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.114 10.219 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.873 8.944 1.570 1.00 0.00 H new ATOM 441 N GLU A 30 -0.224 8.209 6.710 1.00 0.00 N ATOM 442 CA GLU A 30 0.260 8.603 8.028 1.00 0.00 C ATOM 443 C GLU A 30 1.779 8.588 8.093 1.00 0.00 C ATOM 444 O GLU A 30 2.377 8.857 9.135 1.00 0.00 O ATOM 445 CB GLU A 30 -0.334 7.711 9.118 1.00 0.00 C ATOM 446 CG GLU A 30 -1.651 8.228 9.678 1.00 0.00 C ATOM 447 CD GLU A 30 -1.463 9.073 10.921 1.00 0.00 C ATOM 448 OE1 GLU A 30 -1.279 8.492 12.011 1.00 0.00 O ATOM 449 OE2 GLU A 30 -1.498 10.317 10.805 1.00 0.00 O ATOM 0 H GLU A 30 -0.579 7.254 6.669 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.070 9.627 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.489 6.711 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.385 7.618 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.159 8.818 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.299 7.383 9.912 1.00 0.00 H new ATOM 456 N ALA A 31 2.388 8.273 6.970 1.00 0.00 N ATOM 457 CA ALA A 31 3.841 8.215 6.867 1.00 0.00 C ATOM 458 C ALA A 31 4.409 9.545 6.382 1.00 0.00 C ATOM 459 O ALA A 31 5.528 9.919 6.732 1.00 0.00 O ATOM 460 CB ALA A 31 4.258 7.089 5.933 1.00 0.00 C ATOM 0 H ALA A 31 1.898 8.050 6.104 1.00 0.00 H new ATOM 0 HA ALA A 31 4.245 8.017 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.345 7.057 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.890 6.139 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.837 7.263 4.943 1.00 0.00 H new ATOM 466 N PHE A 32 3.629 10.255 5.574 1.00 0.00 N ATOM 467 CA PHE A 32 4.053 11.545 5.039 1.00 0.00 C ATOM 468 C PHE A 32 4.345 12.533 6.166 1.00 0.00 C ATOM 469 O PHE A 32 5.175 13.430 6.018 1.00 0.00 O ATOM 470 CB PHE A 32 2.978 12.114 4.110 1.00 0.00 C ATOM 471 CG PHE A 32 3.246 11.858 2.655 1.00 0.00 C ATOM 472 CD1 PHE A 32 4.344 12.426 2.029 1.00 0.00 C ATOM 473 CD2 PHE A 32 2.400 11.051 1.912 1.00 0.00 C ATOM 474 CE1 PHE A 32 4.592 12.192 0.689 1.00 0.00 C ATOM 475 CE2 PHE A 32 2.643 10.813 0.573 1.00 0.00 C ATOM 476 CZ PHE A 32 3.741 11.386 -0.039 1.00 0.00 C ATOM 0 H PHE A 32 2.700 9.960 5.275 1.00 0.00 H new ATOM 0 HA PHE A 32 4.970 11.391 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.014 11.681 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.900 13.189 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.013 13.058 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.539 10.602 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.451 12.640 0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.976 10.180 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.933 11.203 -1.086 1.00 0.00 H new ATOM 486 N TYR A 33 3.657 12.362 7.291 1.00 0.00 N ATOM 487 CA TYR A 33 3.844 13.240 8.440 1.00 0.00 C ATOM 488 C TYR A 33 4.798 12.616 9.456 1.00 0.00 C ATOM 489 O TYR A 33 4.709 12.890 10.652 1.00 0.00 O ATOM 490 CB TYR A 33 2.498 13.537 9.104 1.00 0.00 C ATOM 491 CG TYR A 33 1.402 13.890 8.124 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.209 15.202 7.711 1.00 0.00 C ATOM 493 CD2 TYR A 33 0.560 12.911 7.612 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.209 15.528 6.816 1.00 0.00 C ATOM 495 CE2 TYR A 33 -0.442 13.229 6.716 1.00 0.00 C ATOM 496 CZ TYR A 33 -0.613 14.538 6.321 1.00 0.00 C ATOM 497 OH TYR A 33 -1.611 14.859 5.429 1.00 0.00 O ATOM 0 H TYR A 33 2.966 11.625 7.431 1.00 0.00 H new ATOM 0 HA TYR A 33 4.282 14.173 8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.189 12.667 9.683 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.624 14.360 9.807 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.851 15.980 8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.691 11.884 7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.072 16.553 6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.088 12.456 6.327 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.098 14.047 5.177 1.00 0.00 H new ATOM 507 N ASN A 34 5.709 11.778 8.970 1.00 0.00 N ATOM 508 CA ASN A 34 6.678 11.118 9.838 1.00 0.00 C ATOM 509 C ASN A 34 7.753 10.413 9.018 1.00 0.00 C ATOM 510 O ASN A 34 8.262 9.365 9.415 1.00 0.00 O ATOM 511 CB ASN A 34 5.974 10.112 10.751 1.00 0.00 C ATOM 512 CG ASN A 34 6.846 9.677 11.913 1.00 0.00 C ATOM 513 OD1 ASN A 34 7.053 8.484 12.135 1.00 0.00 O ATOM 514 ND2 ASN A 34 7.363 10.645 12.660 1.00 0.00 N ATOM 0 H ASN A 34 5.796 11.540 7.982 1.00 0.00 H new ATOM 0 HA ASN A 34 7.158 11.881 10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.056 10.555 11.136 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.686 9.237 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.959 10.413 13.455 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.165 11.621 12.439 1.00 0.00 H new ATOM 612 N PHE A 42 15.256 6.462 -2.558 1.00 0.00 N ATOM 613 CA PHE A 42 15.649 5.077 -2.330 1.00 0.00 C ATOM 614 C PHE A 42 15.755 4.776 -0.838 1.00 0.00 C ATOM 615 O PHE A 42 16.487 5.444 -0.108 1.00 0.00 O ATOM 616 CB PHE A 42 16.987 4.786 -3.015 1.00 0.00 C ATOM 617 CG PHE A 42 17.387 3.340 -2.959 1.00 0.00 C ATOM 618 CD1 PHE A 42 16.939 2.446 -3.918 1.00 0.00 C ATOM 619 CD2 PHE A 42 18.213 2.874 -1.949 1.00 0.00 C ATOM 620 CE1 PHE A 42 17.306 1.115 -3.869 1.00 0.00 C ATOM 621 CE2 PHE A 42 18.584 1.544 -1.895 1.00 0.00 C ATOM 622 CZ PHE A 42 18.130 0.663 -2.856 1.00 0.00 C ATOM 0 HA PHE A 42 14.879 4.434 -2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.928 5.098 -4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.765 5.388 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 42 16.296 2.794 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.571 3.559 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 42 16.949 0.428 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 42 19.228 1.194 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.418 -0.377 -2.816 1.00 0.00 H new ATOM 632 N VAL A 43 15.017 3.764 -0.395 1.00 0.00 N ATOM 633 CA VAL A 43 15.023 3.371 1.008 1.00 0.00 C ATOM 634 C VAL A 43 15.092 1.852 1.144 1.00 0.00 C ATOM 635 O VAL A 43 14.112 1.150 0.897 1.00 0.00 O ATOM 636 CB VAL A 43 13.773 3.897 1.741 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.508 3.474 1.009 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.748 3.421 3.188 1.00 0.00 C ATOM 0 H VAL A 43 14.407 3.201 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 43 15.908 3.813 1.466 1.00 0.00 H new ATOM 0 HB VAL A 43 13.816 4.986 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.636 3.854 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.521 3.878 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.460 2.386 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.856 3.806 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.735 2.331 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.635 3.785 3.706 1.00 0.00 H new ATOM 648 N SER A 44 16.259 1.353 1.537 1.00 0.00 N ATOM 649 CA SER A 44 16.461 -0.081 1.705 1.00 0.00 C ATOM 650 C SER A 44 15.488 -0.656 2.730 1.00 0.00 C ATOM 651 O SER A 44 15.025 0.048 3.626 1.00 0.00 O ATOM 652 CB SER A 44 17.901 -0.367 2.136 1.00 0.00 C ATOM 653 OG SER A 44 18.801 -0.195 1.054 1.00 0.00 O ATOM 0 H SER A 44 17.080 1.921 1.745 1.00 0.00 H new ATOM 0 HA SER A 44 16.272 -0.562 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.178 0.299 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 44 17.975 -1.386 2.516 1.00 0.00 H new ATOM 0 HG SER A 44 19.348 -1.002 0.952 1.00 0.00 H new ATOM 659 N VAL A 45 15.189 -1.945 2.591 1.00 0.00 N ATOM 660 CA VAL A 45 14.276 -2.624 3.503 1.00 0.00 C ATOM 661 C VAL A 45 14.757 -2.509 4.946 1.00 0.00 C ATOM 662 O VAL A 45 14.035 -2.022 5.817 1.00 0.00 O ATOM 663 CB VAL A 45 14.133 -4.114 3.140 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.218 -4.829 4.121 1.00 0.00 C ATOM 665 CG2 VAL A 45 13.622 -4.270 1.716 1.00 0.00 C ATOM 0 H VAL A 45 15.567 -2.540 1.854 1.00 0.00 H new ATOM 0 HA VAL A 45 13.306 -2.137 3.406 1.00 0.00 H new ATOM 0 HB VAL A 45 15.119 -4.574 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.135 -5.879 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.632 -4.753 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.230 -4.368 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.527 -5.329 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.648 -3.789 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.324 -3.804 1.024 1.00 0.00 H new ATOM 675 N GLU A 46 15.981 -2.966 5.191 1.00 0.00 N ATOM 676 CA GLU A 46 16.566 -2.923 6.528 1.00 0.00 C ATOM 677 C GLU A 46 16.376 -1.549 7.166 1.00 0.00 C ATOM 678 O GLU A 46 16.273 -1.429 8.386 1.00 0.00 O ATOM 679 CB GLU A 46 18.053 -3.271 6.465 1.00 0.00 C ATOM 680 CG GLU A 46 18.354 -4.506 5.629 1.00 0.00 C ATOM 681 CD GLU A 46 19.740 -5.061 5.889 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.719 -4.295 5.772 1.00 0.00 O ATOM 683 OE2 GLU A 46 19.846 -6.265 6.210 1.00 0.00 O ATOM 0 H GLU A 46 16.589 -3.372 4.479 1.00 0.00 H new ATOM 0 HA GLU A 46 16.053 -3.660 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.599 -2.422 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.424 -3.429 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.612 -5.275 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.258 -4.257 4.572 1.00 0.00 H new ATOM 690 N GLU A 47 16.323 -0.518 6.330 1.00 0.00 N ATOM 691 CA GLU A 47 16.134 0.846 6.809 1.00 0.00 C ATOM 692 C GLU A 47 14.650 1.176 6.916 1.00 0.00 C ATOM 693 O GLU A 47 14.239 1.978 7.757 1.00 0.00 O ATOM 694 CB GLU A 47 16.824 1.839 5.872 1.00 0.00 C ATOM 695 CG GLU A 47 17.317 3.095 6.572 1.00 0.00 C ATOM 696 CD GLU A 47 18.772 3.000 6.985 1.00 0.00 C ATOM 697 OE1 GLU A 47 19.577 2.456 6.200 1.00 0.00 O ATOM 698 OE2 GLU A 47 19.106 3.467 8.095 1.00 0.00 O ATOM 0 H GLU A 47 16.408 -0.601 5.317 1.00 0.00 H new ATOM 0 HA GLU A 47 16.581 0.926 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.669 1.345 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.129 2.123 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.187 3.951 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.704 3.279 7.454 1.00 0.00 H new ATOM 705 N PHE A 48 13.849 0.548 6.061 1.00 0.00 N ATOM 706 CA PHE A 48 12.408 0.766 6.053 1.00 0.00 C ATOM 707 C PHE A 48 11.779 0.282 7.358 1.00 0.00 C ATOM 708 O PHE A 48 10.772 0.825 7.812 1.00 0.00 O ATOM 709 CB PHE A 48 11.772 0.041 4.866 1.00 0.00 C ATOM 710 CG PHE A 48 10.811 0.889 4.082 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.812 1.602 4.726 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.909 0.973 2.703 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.927 2.383 4.006 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.028 1.752 1.978 1.00 0.00 C ATOM 715 CZ PHE A 48 9.035 2.457 2.630 1.00 0.00 C ATOM 0 H PHE A 48 14.176 -0.119 5.362 1.00 0.00 H new ATOM 0 HA PHE A 48 12.225 1.836 5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.561 -0.308 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.248 -0.843 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.724 1.547 5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.683 0.423 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.152 2.934 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.116 1.810 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.344 3.065 2.065 1.00 0.00 H new ATOM 725 N ARG A 49 12.379 -0.745 7.953 1.00 0.00 N ATOM 726 CA ARG A 49 11.879 -1.306 9.203 1.00 0.00 C ATOM 727 C ARG A 49 11.782 -0.231 10.284 1.00 0.00 C ATOM 728 O ARG A 49 10.741 -0.071 10.920 1.00 0.00 O ATOM 729 CB ARG A 49 12.789 -2.440 9.678 1.00 0.00 C ATOM 730 CG ARG A 49 12.506 -3.771 8.999 1.00 0.00 C ATOM 731 CD ARG A 49 13.789 -4.532 8.709 1.00 0.00 C ATOM 732 NE ARG A 49 13.545 -5.958 8.498 1.00 0.00 N ATOM 733 CZ ARG A 49 13.348 -6.831 9.483 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.366 -6.428 10.749 1.00 0.00 N ATOM 735 NH2 ARG A 49 13.133 -8.108 9.203 1.00 0.00 N ATOM 0 H ARG A 49 13.213 -1.206 7.589 1.00 0.00 H new ATOM 0 HA ARG A 49 10.880 -1.702 9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.827 -2.162 9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.675 -2.559 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.859 -4.375 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.966 -3.598 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.268 -4.112 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.483 -4.402 9.539 1.00 0.00 H new ATOM 0 HE ARG A 49 13.525 -6.304 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.531 -5.446 10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.214 -7.101 11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.119 -8.422 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.982 -8.777 9.958 1.00 0.00 H new ATOM 749 N GLY A 50 12.871 0.503 10.481 1.00 0.00 N ATOM 750 CA GLY A 50 12.886 1.553 11.482 1.00 0.00 C ATOM 751 C GLY A 50 11.800 2.589 11.252 1.00 0.00 C ATOM 752 O GLY A 50 11.363 3.258 12.187 1.00 0.00 O ATOM 0 H GLY A 50 13.744 0.390 9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.759 1.111 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.859 2.044 11.475 1.00 0.00 H new ATOM 756 N ILE A 51 11.365 2.717 10.002 1.00 0.00 N ATOM 757 CA ILE A 51 10.326 3.675 9.649 1.00 0.00 C ATOM 758 C ILE A 51 8.937 3.104 9.916 1.00 0.00 C ATOM 759 O ILE A 51 7.992 3.846 10.181 1.00 0.00 O ATOM 760 CB ILE A 51 10.420 4.084 8.167 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.856 4.476 7.814 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.464 5.230 7.871 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.065 4.740 6.338 1.00 0.00 C ATOM 0 H ILE A 51 11.717 2.168 9.217 1.00 0.00 H new ATOM 0 HA ILE A 51 10.482 4.554 10.274 1.00 0.00 H new ATOM 0 HB ILE A 51 10.134 3.231 7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.129 5.369 8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.530 3.680 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.543 5.507 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.443 4.917 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.721 6.088 8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.105 5.013 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.824 3.842 5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.417 5.556 6.019 1.00 0.00 H new ATOM 775 N ILE A 52 8.820 1.782 9.846 1.00 0.00 N ATOM 776 CA ILE A 52 7.546 1.112 10.082 1.00 0.00 C ATOM 777 C ILE A 52 7.381 0.749 11.556 1.00 0.00 C ATOM 778 O ILE A 52 6.344 1.028 12.159 1.00 0.00 O ATOM 779 CB ILE A 52 7.419 -0.165 9.227 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.528 0.180 7.741 1.00 0.00 C ATOM 781 CG2 ILE A 52 6.104 -0.876 9.512 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.393 1.048 7.241 1.00 0.00 C ATOM 0 H ILE A 52 9.593 1.153 9.628 1.00 0.00 H new ATOM 0 HA ILE A 52 6.760 1.810 9.795 1.00 0.00 H new ATOM 0 HB ILE A 52 8.235 -0.838 9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.473 0.693 7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.552 -0.743 7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.035 -1.774 8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.061 -1.152 10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.273 -0.211 9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.533 1.254 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.446 0.529 7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.382 1.987 7.795 1.00 0.00 H new ATOM 794 N ARG A 53 8.404 0.124 12.126 1.00 0.00 N ATOM 795 CA ARG A 53 8.370 -0.279 13.528 1.00 0.00 C ATOM 796 C ARG A 53 8.047 0.904 14.434 1.00 0.00 C ATOM 797 O ARG A 53 7.360 0.756 15.444 1.00 0.00 O ATOM 798 CB ARG A 53 9.709 -0.896 13.935 1.00 0.00 C ATOM 799 CG ARG A 53 9.631 -1.746 15.193 1.00 0.00 C ATOM 800 CD ARG A 53 9.410 -0.891 16.430 1.00 0.00 C ATOM 801 NE ARG A 53 10.138 -1.404 17.588 1.00 0.00 N ATOM 802 CZ ARG A 53 11.437 -1.205 17.796 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.156 -0.508 16.925 1.00 0.00 N ATOM 804 NH2 ARG A 53 12.020 -1.708 18.876 1.00 0.00 N ATOM 0 H ARG A 53 9.268 -0.115 11.640 1.00 0.00 H new ATOM 0 HA ARG A 53 7.582 -1.023 13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.081 -1.510 13.115 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.435 -0.098 14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.818 -2.466 15.097 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.552 -2.318 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.728 0.131 16.226 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.345 -0.853 16.659 1.00 0.00 H new ATOM 0 HE ARG A 53 9.619 -1.947 18.278 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.713 -0.122 16.091 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.151 -0.358 17.089 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.473 -2.247 19.547 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.016 -1.556 19.036 1.00 0.00 H new ATOM 818 N ASP A 54 8.547 2.079 14.065 1.00 0.00 N ATOM 819 CA ASP A 54 8.312 3.289 14.847 1.00 0.00 C ATOM 820 C ASP A 54 7.417 4.274 14.096 1.00 0.00 C ATOM 821 O ASP A 54 7.330 5.445 14.465 1.00 0.00 O ATOM 822 CB ASP A 54 9.643 3.958 15.197 1.00 0.00 C ATOM 823 CG ASP A 54 10.599 3.015 15.900 1.00 0.00 C ATOM 824 OD1 ASP A 54 10.858 1.919 15.359 1.00 0.00 O ATOM 825 OD2 ASP A 54 11.087 3.370 16.994 1.00 0.00 O ATOM 0 H ASP A 54 9.117 2.220 13.231 1.00 0.00 H new ATOM 0 HA ASP A 54 7.800 2.998 15.765 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.110 4.330 14.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.455 4.822 15.835 1.00 0.00 H new ATOM 830 N GLY A 55 6.757 3.800 13.043 1.00 0.00 N ATOM 831 CA GLY A 55 5.885 4.665 12.268 1.00 0.00 C ATOM 832 C GLY A 55 4.465 4.140 12.185 1.00 0.00 C ATOM 833 O GLY A 55 3.628 4.461 13.029 1.00 0.00 O ATOM 0 H GLY A 55 6.810 2.836 12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.875 5.659 12.715 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.288 4.772 11.261 1.00 0.00 H new ATOM 837 N LEU A 56 4.194 3.335 11.163 1.00 0.00 N ATOM 838 CA LEU A 56 2.865 2.768 10.971 1.00 0.00 C ATOM 839 C LEU A 56 2.793 1.347 11.524 1.00 0.00 C ATOM 840 O LEU A 56 3.753 0.584 11.420 1.00 0.00 O ATOM 841 CB LEU A 56 2.499 2.770 9.486 1.00 0.00 C ATOM 842 CG LEU A 56 2.733 4.098 8.764 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.180 4.211 8.312 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.791 4.229 7.577 1.00 0.00 C ATOM 0 H LEU A 56 4.876 3.061 10.456 1.00 0.00 H new ATOM 0 HA LEU A 56 2.151 3.385 11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.077 1.994 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.448 2.500 9.386 1.00 0.00 H new ATOM 0 HG LEU A 56 2.527 4.911 9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.328 5.162 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.837 4.160 9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.413 3.392 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.970 5.179 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.968 3.410 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.759 4.192 7.926 1.00 0.00 H new ATOM 856 N PRO A 57 1.648 0.969 12.123 1.00 0.00 N ATOM 857 CA PRO A 57 1.461 -0.365 12.690 1.00 0.00 C ATOM 858 C PRO A 57 1.150 -1.412 11.625 1.00 0.00 C ATOM 859 O PRO A 57 0.116 -2.080 11.677 1.00 0.00 O ATOM 860 CB PRO A 57 0.266 -0.173 13.621 1.00 0.00 C ATOM 861 CG PRO A 57 -0.536 0.906 12.982 1.00 0.00 C ATOM 862 CD PRO A 57 0.450 1.816 12.292 1.00 0.00 C ATOM 0 HA PRO A 57 2.358 -0.733 13.188 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.312 -1.092 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.586 0.111 14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.247 0.491 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.115 1.453 13.726 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.069 2.166 11.333 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.666 2.700 12.891 1.00 0.00 H new ATOM 870 N MET A 58 2.053 -1.551 10.662 1.00 0.00 N ATOM 871 CA MET A 58 1.882 -2.516 9.584 1.00 0.00 C ATOM 872 C MET A 58 2.420 -3.885 9.994 1.00 0.00 C ATOM 873 O MET A 58 3.503 -3.987 10.573 1.00 0.00 O ATOM 874 CB MET A 58 2.601 -2.027 8.322 1.00 0.00 C ATOM 875 CG MET A 58 2.007 -2.558 7.026 1.00 0.00 C ATOM 876 SD MET A 58 2.485 -1.573 5.590 1.00 0.00 S ATOM 877 CE MET A 58 2.527 -2.820 4.302 1.00 0.00 C ATOM 0 H MET A 58 2.913 -1.006 10.606 1.00 0.00 H new ATOM 0 HA MET A 58 0.817 -2.612 9.374 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.576 -0.937 8.301 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.649 -2.321 8.376 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.329 -3.589 6.878 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.920 -2.572 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.808 -2.357 3.356 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.257 -3.587 4.562 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.542 -3.275 4.204 1.00 0.00 H new ATOM 887 N THR A 59 1.666 -4.936 9.685 1.00 0.00 N ATOM 888 CA THR A 59 2.078 -6.295 10.018 1.00 0.00 C ATOM 889 C THR A 59 3.058 -6.828 8.981 1.00 0.00 C ATOM 890 O THR A 59 2.917 -6.565 7.788 1.00 0.00 O ATOM 891 CB THR A 59 0.865 -7.221 10.114 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.144 -6.832 9.196 1.00 0.00 O ATOM 893 CG2 THR A 59 0.247 -7.258 11.495 1.00 0.00 C ATOM 0 H THR A 59 0.768 -4.873 9.205 1.00 0.00 H new ATOM 0 HA THR A 59 2.574 -6.268 10.988 1.00 0.00 H new ATOM 0 HB THR A 59 1.244 -8.215 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.909 -7.439 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.608 -7.934 11.493 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.986 -7.610 12.215 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.082 -6.257 11.773 1.00 0.00 H new ATOM 901 N GLU A 60 4.048 -7.578 9.447 1.00 0.00 N ATOM 902 CA GLU A 60 5.064 -8.154 8.569 1.00 0.00 C ATOM 903 C GLU A 60 4.434 -8.684 7.284 1.00 0.00 C ATOM 904 O GLU A 60 4.845 -8.339 6.185 1.00 0.00 O ATOM 905 CB GLU A 60 5.816 -9.267 9.316 1.00 0.00 C ATOM 906 CG GLU A 60 5.478 -10.685 8.874 1.00 0.00 C ATOM 907 CD GLU A 60 6.375 -11.725 9.519 1.00 0.00 C ATOM 908 OE1 GLU A 60 6.081 -12.136 10.659 1.00 0.00 O ATOM 909 OE2 GLU A 60 7.373 -12.124 8.883 1.00 0.00 O ATOM 0 H GLU A 60 4.171 -7.804 10.434 1.00 0.00 H new ATOM 0 HA GLU A 60 5.774 -7.377 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.887 -9.109 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.605 -9.175 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.439 -10.902 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.567 -10.755 7.790 1.00 0.00 H new ATOM 916 N ALA A 61 3.428 -9.520 7.447 1.00 0.00 N ATOM 917 CA ALA A 61 2.722 -10.111 6.316 1.00 0.00 C ATOM 918 C ALA A 61 2.404 -9.078 5.240 1.00 0.00 C ATOM 919 O ALA A 61 2.288 -9.416 4.064 1.00 0.00 O ATOM 920 CB ALA A 61 1.446 -10.780 6.793 1.00 0.00 C ATOM 0 H ALA A 61 3.075 -9.811 8.359 1.00 0.00 H new ATOM 0 HA ALA A 61 3.379 -10.857 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.925 -11.219 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.692 -11.563 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.803 -10.040 7.270 1.00 0.00 H new ATOM 926 N GLU A 62 2.270 -7.821 5.643 1.00 0.00 N ATOM 927 CA GLU A 62 1.972 -6.755 4.696 1.00 0.00 C ATOM 928 C GLU A 62 3.262 -6.137 4.172 1.00 0.00 C ATOM 929 O GLU A 62 3.457 -6.023 2.964 1.00 0.00 O ATOM 930 CB GLU A 62 1.094 -5.665 5.330 1.00 0.00 C ATOM 931 CG GLU A 62 0.443 -6.067 6.645 1.00 0.00 C ATOM 932 CD GLU A 62 -0.969 -5.532 6.782 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.816 -5.864 5.926 1.00 0.00 O ATOM 934 OE2 GLU A 62 -1.228 -4.781 7.745 1.00 0.00 O ATOM 0 H GLU A 62 2.362 -7.516 6.612 1.00 0.00 H new ATOM 0 HA GLU A 62 1.419 -7.197 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.703 -4.777 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.313 -5.387 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.425 -7.154 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.049 -5.700 7.474 1.00 0.00 H new ATOM 941 N ILE A 63 4.145 -5.742 5.088 1.00 0.00 N ATOM 942 CA ILE A 63 5.422 -5.136 4.707 1.00 0.00 C ATOM 943 C ILE A 63 6.381 -6.177 4.154 1.00 0.00 C ATOM 944 O ILE A 63 7.049 -5.944 3.150 1.00 0.00 O ATOM 945 CB ILE A 63 6.112 -4.419 5.886 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.086 -3.726 6.780 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.126 -3.412 5.365 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.688 -4.553 7.976 1.00 0.00 C ATOM 0 H ILE A 63 4.002 -5.830 6.094 1.00 0.00 H new ATOM 0 HA ILE A 63 5.183 -4.399 3.940 1.00 0.00 H new ATOM 0 HB ILE A 63 6.632 -5.167 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.495 -2.776 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.197 -3.497 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.607 -2.912 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.880 -3.929 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.619 -2.673 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.957 -4.005 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.250 -5.493 7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.568 -4.760 8.584 1.00 0.00 H new ATOM 960 N THR A 64 6.443 -7.328 4.811 1.00 0.00 N ATOM 961 CA THR A 64 7.318 -8.407 4.374 1.00 0.00 C ATOM 962 C THR A 64 6.873 -8.917 3.015 1.00 0.00 C ATOM 963 O THR A 64 7.681 -9.070 2.099 1.00 0.00 O ATOM 964 CB THR A 64 7.296 -9.551 5.386 1.00 0.00 C ATOM 965 OG1 THR A 64 7.916 -9.163 6.598 1.00 0.00 O ATOM 966 CG2 THR A 64 7.985 -10.803 4.890 1.00 0.00 C ATOM 0 H THR A 64 5.898 -7.538 5.647 1.00 0.00 H new ATOM 0 HA THR A 64 8.335 -8.022 4.298 1.00 0.00 H new ATOM 0 HB THR A 64 6.241 -9.778 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.890 -9.909 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.933 -11.575 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.490 -11.156 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.029 -10.581 4.669 1.00 0.00 H new ATOM 974 N GLU A 65 5.574 -9.166 2.886 1.00 0.00 N ATOM 975 CA GLU A 65 5.021 -9.645 1.628 1.00 0.00 C ATOM 976 C GLU A 65 5.160 -8.585 0.560 1.00 0.00 C ATOM 977 O GLU A 65 5.079 -8.859 -0.638 1.00 0.00 O ATOM 978 CB GLU A 65 3.558 -10.049 1.790 1.00 0.00 C ATOM 979 CG GLU A 65 2.993 -10.787 0.586 1.00 0.00 C ATOM 980 CD GLU A 65 2.031 -11.893 0.979 1.00 0.00 C ATOM 981 OE1 GLU A 65 0.856 -11.584 1.261 1.00 0.00 O ATOM 982 OE2 GLU A 65 2.456 -13.067 1.005 1.00 0.00 O ATOM 0 H GLU A 65 4.890 -9.045 3.633 1.00 0.00 H new ATOM 0 HA GLU A 65 5.582 -10.528 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.460 -10.682 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.961 -9.155 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.480 -10.077 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.813 -11.212 0.007 1.00 0.00 H new ATOM 989 N PHE A 66 5.393 -7.378 1.017 1.00 0.00 N ATOM 990 CA PHE A 66 5.579 -6.243 0.134 1.00 0.00 C ATOM 991 C PHE A 66 7.066 -5.982 -0.084 1.00 0.00 C ATOM 992 O PHE A 66 7.470 -5.443 -1.113 1.00 0.00 O ATOM 993 CB PHE A 66 4.906 -4.983 0.697 1.00 0.00 C ATOM 994 CG PHE A 66 3.502 -4.767 0.198 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.176 -5.012 -1.128 1.00 0.00 C ATOM 996 CD2 PHE A 66 2.511 -4.317 1.056 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.886 -4.811 -1.586 1.00 0.00 C ATOM 998 CE2 PHE A 66 1.222 -4.115 0.603 1.00 0.00 C ATOM 999 CZ PHE A 66 0.908 -4.362 -0.719 1.00 0.00 C ATOM 0 H PHE A 66 5.460 -7.151 2.009 1.00 0.00 H new ATOM 0 HA PHE A 66 5.111 -6.483 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.889 -5.047 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.511 -4.114 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.937 -5.363 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.750 -4.122 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.644 -5.005 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.460 -3.764 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.100 -4.205 -1.074 1.00 0.00 H new ATOM 1009 N PHE A 67 7.875 -6.374 0.899 1.00 0.00 N ATOM 1010 CA PHE A 67 9.319 -6.186 0.825 1.00 0.00 C ATOM 1011 C PHE A 67 9.925 -7.076 -0.256 1.00 0.00 C ATOM 1012 O PHE A 67 10.725 -6.619 -1.073 1.00 0.00 O ATOM 1013 CB PHE A 67 9.960 -6.504 2.180 1.00 0.00 C ATOM 1014 CG PHE A 67 9.999 -5.340 3.136 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.203 -4.045 2.683 1.00 0.00 C ATOM 1016 CD2 PHE A 67 9.830 -5.550 4.497 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.239 -2.984 3.570 1.00 0.00 C ATOM 1018 CE2 PHE A 67 9.867 -4.493 5.386 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.071 -3.209 4.923 1.00 0.00 C ATOM 0 H PHE A 67 7.553 -6.824 1.756 1.00 0.00 H new ATOM 0 HA PHE A 67 9.517 -5.145 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.411 -7.323 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.978 -6.857 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.335 -3.863 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.668 -6.552 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.398 -1.980 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.736 -4.672 6.443 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.099 -2.382 5.617 1.00 0.00 H new ATOM 1029 N GLU A 68 9.537 -8.345 -0.253 1.00 0.00 N ATOM 1030 CA GLU A 68 10.039 -9.301 -1.233 1.00 0.00 C ATOM 1031 C GLU A 68 9.359 -9.106 -2.585 1.00 0.00 C ATOM 1032 O GLU A 68 9.928 -9.426 -3.628 1.00 0.00 O ATOM 1033 CB GLU A 68 9.820 -10.733 -0.740 1.00 0.00 C ATOM 1034 CG GLU A 68 8.415 -10.992 -0.223 1.00 0.00 C ATOM 1035 CD GLU A 68 7.848 -12.313 -0.705 1.00 0.00 C ATOM 1036 OE1 GLU A 68 7.831 -12.538 -1.933 1.00 0.00 O ATOM 1037 OE2 GLU A 68 7.425 -13.123 0.145 1.00 0.00 O ATOM 0 H GLU A 68 8.876 -8.737 0.418 1.00 0.00 H new ATOM 0 HA GLU A 68 11.108 -9.126 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.031 -11.425 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.535 -10.948 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.426 -10.982 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.760 -10.182 -0.543 1.00 0.00 H new ATOM 1044 N ALA A 69 8.137 -8.579 -2.559 1.00 0.00 N ATOM 1045 CA ALA A 69 7.382 -8.343 -3.785 1.00 0.00 C ATOM 1046 C ALA A 69 7.892 -7.126 -4.535 1.00 0.00 C ATOM 1047 O ALA A 69 7.526 -6.880 -5.685 1.00 0.00 O ATOM 1048 CB ALA A 69 5.910 -8.179 -3.466 1.00 0.00 C ATOM 0 H ALA A 69 7.650 -8.308 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 69 7.519 -9.211 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.355 -8.003 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.539 -9.084 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.776 -7.331 -2.794 1.00 0.00 H new ATOM 1054 N ALA A 70 8.737 -6.382 -3.868 1.00 0.00 N ATOM 1055 CA ALA A 70 9.329 -5.175 -4.435 1.00 0.00 C ATOM 1056 C ALA A 70 10.701 -5.468 -5.033 1.00 0.00 C ATOM 1057 O ALA A 70 11.102 -4.854 -6.020 1.00 0.00 O ATOM 1058 CB ALA A 70 9.435 -4.090 -3.375 1.00 0.00 C ATOM 0 H ALA A 70 9.041 -6.587 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 70 8.679 -4.822 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.878 -3.196 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.441 -3.854 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.062 -4.442 -2.556 1.00 0.00 H new ATOM 1064 N ASP A 71 11.415 -6.412 -4.427 1.00 0.00 N ATOM 1065 CA ASP A 71 12.742 -6.788 -4.898 1.00 0.00 C ATOM 1066 C ASP A 71 12.779 -8.265 -5.290 1.00 0.00 C ATOM 1067 O ASP A 71 12.520 -9.138 -4.462 1.00 0.00 O ATOM 1068 CB ASP A 71 13.786 -6.508 -3.816 1.00 0.00 C ATOM 1069 CG ASP A 71 15.150 -6.190 -4.397 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.220 -5.358 -5.325 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.149 -6.772 -3.922 1.00 0.00 O ATOM 0 H ASP A 71 11.096 -6.930 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 71 12.974 -6.190 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.452 -5.672 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.867 -7.375 -3.160 1.00 0.00 H new ATOM 1076 N PRO A 72 13.106 -8.569 -6.561 1.00 0.00 N ATOM 1077 CA PRO A 72 13.173 -9.953 -7.045 1.00 0.00 C ATOM 1078 C PRO A 72 14.305 -10.738 -6.392 1.00 0.00 C ATOM 1079 O PRO A 72 14.229 -11.960 -6.258 1.00 0.00 O ATOM 1080 CB PRO A 72 13.427 -9.798 -8.547 1.00 0.00 C ATOM 1081 CG PRO A 72 14.048 -8.452 -8.693 1.00 0.00 C ATOM 1082 CD PRO A 72 13.433 -7.598 -7.621 1.00 0.00 C ATOM 0 HA PRO A 72 12.266 -10.510 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.088 -10.581 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.499 -9.869 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.130 -8.506 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.854 -8.037 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.126 -6.835 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.544 -7.080 -7.980 1.00 0.00 H new ATOM 1090 N ASN A 73 15.352 -10.029 -5.987 1.00 0.00 N ATOM 1091 CA ASN A 73 16.500 -10.660 -5.345 1.00 0.00 C ATOM 1092 C ASN A 73 16.258 -10.837 -3.850 1.00 0.00 C ATOM 1093 O ASN A 73 16.745 -11.790 -3.240 1.00 0.00 O ATOM 1094 CB ASN A 73 17.761 -9.824 -5.573 1.00 0.00 C ATOM 1095 CG ASN A 73 17.956 -9.456 -7.030 1.00 0.00 C ATOM 1096 OD1 ASN A 73 17.571 -10.206 -7.928 1.00 0.00 O ATOM 1097 ND2 ASN A 73 18.557 -8.298 -7.274 1.00 0.00 N ATOM 0 H ASN A 73 15.430 -9.017 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 73 16.639 -11.645 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.703 -8.914 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 73 18.630 -10.380 -5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.716 -7.999 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 73 18.860 -7.707 -6.499 1.00 0.00 H new ATOM 1104 N ASN A 74 15.510 -9.908 -3.265 1.00 0.00 N ATOM 1105 CA ASN A 74 15.206 -9.946 -1.839 1.00 0.00 C ATOM 1106 C ASN A 74 16.449 -9.613 -1.033 1.00 0.00 C ATOM 1107 O ASN A 74 16.716 -10.222 0.003 1.00 0.00 O ATOM 1108 CB ASN A 74 14.668 -11.319 -1.429 1.00 0.00 C ATOM 1109 CG ASN A 74 13.608 -11.836 -2.383 1.00 0.00 C ATOM 1110 OD1 ASN A 74 13.907 -12.210 -3.517 1.00 0.00 O ATOM 1111 ND2 ASN A 74 12.362 -11.858 -1.926 1.00 0.00 N ATOM 0 H ASN A 74 15.101 -9.115 -3.759 1.00 0.00 H new ATOM 0 HA ASN A 74 14.435 -9.203 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.492 -12.031 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.249 -11.256 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.606 -12.195 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.161 -11.538 -0.979 1.00 0.00 H new ATOM 1118 N THR A 75 17.205 -8.637 -1.520 1.00 0.00 N ATOM 1119 CA THR A 75 18.426 -8.214 -0.852 1.00 0.00 C ATOM 1120 C THR A 75 18.134 -7.096 0.146 1.00 0.00 C ATOM 1121 O THR A 75 18.897 -6.136 0.265 1.00 0.00 O ATOM 1122 CB THR A 75 19.461 -7.754 -1.881 1.00 0.00 C ATOM 1123 OG1 THR A 75 20.533 -7.074 -1.253 1.00 0.00 O ATOM 1124 CG2 THR A 75 18.889 -6.836 -2.939 1.00 0.00 C ATOM 0 H THR A 75 16.993 -8.124 -2.376 1.00 0.00 H new ATOM 0 HA THR A 75 18.832 -9.064 -0.304 1.00 0.00 H new ATOM 0 HB THR A 75 19.807 -8.667 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.205 -6.238 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.677 -6.548 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.097 -7.354 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.481 -5.944 -2.464 1.00 0.00 H new ATOM 1132 N GLY A 76 17.021 -7.228 0.863 1.00 0.00 N ATOM 1133 CA GLY A 76 16.641 -6.229 1.841 1.00 0.00 C ATOM 1134 C GLY A 76 16.667 -4.820 1.281 1.00 0.00 C ATOM 1135 O GLY A 76 16.840 -3.853 2.023 1.00 0.00 O ATOM 0 H GLY A 76 16.375 -8.013 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.639 -6.450 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.315 -6.288 2.695 1.00 0.00 H new ATOM 1139 N PHE A 77 16.496 -4.702 -0.031 1.00 0.00 N ATOM 1140 CA PHE A 77 16.500 -3.400 -0.686 1.00 0.00 C ATOM 1141 C PHE A 77 15.225 -3.199 -1.498 1.00 0.00 C ATOM 1142 O PHE A 77 14.649 -4.155 -2.016 1.00 0.00 O ATOM 1143 CB PHE A 77 17.726 -3.260 -1.590 1.00 0.00 C ATOM 1144 CG PHE A 77 19.028 -3.511 -0.884 1.00 0.00 C ATOM 1145 CD1 PHE A 77 19.238 -3.038 0.403 1.00 0.00 C ATOM 1146 CD2 PHE A 77 20.045 -4.217 -1.507 1.00 0.00 C ATOM 1147 CE1 PHE A 77 20.435 -3.268 1.054 1.00 0.00 C ATOM 1148 CE2 PHE A 77 21.244 -4.450 -0.861 1.00 0.00 C ATOM 1149 CZ PHE A 77 21.439 -3.974 0.422 1.00 0.00 C ATOM 0 H PHE A 77 16.353 -5.491 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 77 16.543 -2.632 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 77 17.634 -3.957 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 77 17.741 -2.256 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.457 -2.484 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.898 -4.590 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 77 20.585 -2.896 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 77 22.027 -5.003 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.375 -4.154 0.929 1.00 0.00 H new ATOM 1159 N ILE A 78 14.788 -1.949 -1.603 1.00 0.00 N ATOM 1160 CA ILE A 78 13.579 -1.624 -2.349 1.00 0.00 C ATOM 1161 C ILE A 78 13.835 -0.537 -3.382 1.00 0.00 C ATOM 1162 O ILE A 78 14.695 0.325 -3.201 1.00 0.00 O ATOM 1163 CB ILE A 78 12.450 -1.120 -1.421 1.00 0.00 C ATOM 1164 CG1 ILE A 78 12.031 -2.195 -0.428 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.238 -0.670 -2.230 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.886 -1.753 0.456 1.00 0.00 C ATOM 0 H ILE A 78 15.253 -1.145 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 78 13.276 -2.549 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 78 12.843 -0.267 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.740 -3.094 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.885 -2.462 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.458 -0.320 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.528 0.140 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.860 -1.508 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.627 -2.557 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.184 -0.871 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.021 -1.512 -0.162 1.00 0.00 H new ATOM 1178 N ASP A 79 13.032 -0.555 -4.435 1.00 0.00 N ATOM 1179 CA ASP A 79 13.110 0.457 -5.470 1.00 0.00 C ATOM 1180 C ASP A 79 12.031 1.492 -5.191 1.00 0.00 C ATOM 1181 O ASP A 79 10.868 1.289 -5.540 1.00 0.00 O ATOM 1182 CB ASP A 79 12.916 -0.163 -6.855 1.00 0.00 C ATOM 1183 CG ASP A 79 14.232 -0.457 -7.547 1.00 0.00 C ATOM 1184 OD1 ASP A 79 15.171 -0.915 -6.865 1.00 0.00 O ATOM 1185 OD2 ASP A 79 14.322 -0.228 -8.771 1.00 0.00 O ATOM 0 H ASP A 79 12.316 -1.264 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 79 14.094 0.925 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.345 -1.086 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.327 0.514 -7.474 1.00 0.00 H new ATOM 1190 N TYR A 80 12.415 2.577 -4.520 1.00 0.00 N ATOM 1191 CA TYR A 80 11.483 3.643 -4.140 1.00 0.00 C ATOM 1192 C TYR A 80 10.318 3.769 -5.119 1.00 0.00 C ATOM 1193 O TYR A 80 9.174 3.966 -4.711 1.00 0.00 O ATOM 1194 CB TYR A 80 12.219 4.978 -4.036 1.00 0.00 C ATOM 1195 CG TYR A 80 11.342 6.118 -3.570 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.848 6.153 -2.272 1.00 0.00 C ATOM 1197 CD2 TYR A 80 11.008 7.158 -4.427 1.00 0.00 C ATOM 1198 CE1 TYR A 80 10.045 7.192 -1.842 1.00 0.00 C ATOM 1199 CE2 TYR A 80 10.206 8.202 -4.005 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.728 8.214 -2.711 1.00 0.00 C ATOM 1201 OH TYR A 80 8.930 9.251 -2.288 1.00 0.00 O ATOM 0 H TYR A 80 13.377 2.744 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 80 11.069 3.375 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.056 4.869 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.639 5.229 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.096 5.355 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.381 7.151 -5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.668 7.203 -0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.955 9.003 -4.684 1.00 0.00 H new ATOM 0 HH TYR A 80 8.804 9.888 -3.022 1.00 0.00 H new ATOM 1211 N LYS A 81 10.610 3.651 -6.409 1.00 0.00 N ATOM 1212 CA LYS A 81 9.576 3.748 -7.431 1.00 0.00 C ATOM 1213 C LYS A 81 8.640 2.547 -7.366 1.00 0.00 C ATOM 1214 O LYS A 81 7.427 2.702 -7.244 1.00 0.00 O ATOM 1215 CB LYS A 81 10.204 3.854 -8.824 1.00 0.00 C ATOM 1216 CG LYS A 81 10.906 5.178 -9.075 1.00 0.00 C ATOM 1217 CD LYS A 81 9.910 6.300 -9.324 1.00 0.00 C ATOM 1218 CE LYS A 81 9.749 6.583 -10.807 1.00 0.00 C ATOM 1219 NZ LYS A 81 11.062 6.785 -11.481 1.00 0.00 N ATOM 0 H LYS A 81 11.550 3.489 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 81 8.995 4.651 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.920 3.042 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.427 3.716 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.530 5.428 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.569 5.082 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.944 6.031 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.244 7.204 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.222 5.754 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.131 7.471 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.938 7.410 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.731 7.219 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.435 5.867 -11.797 1.00 0.00 H new ATOM 1233 N ALA A 82 9.212 1.347 -7.432 1.00 0.00 N ATOM 1234 CA ALA A 82 8.422 0.123 -7.361 1.00 0.00 C ATOM 1235 C ALA A 82 7.521 0.137 -6.130 1.00 0.00 C ATOM 1236 O ALA A 82 6.467 -0.499 -6.108 1.00 0.00 O ATOM 1237 CB ALA A 82 9.332 -1.095 -7.335 1.00 0.00 C ATOM 0 H ALA A 82 10.216 1.197 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 82 7.793 0.069 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.727 -2.000 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.938 -1.116 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.985 -1.043 -6.463 1.00 0.00 H new ATOM 1243 N PHE A 83 7.951 0.868 -5.106 1.00 0.00 N ATOM 1244 CA PHE A 83 7.197 0.973 -3.866 1.00 0.00 C ATOM 1245 C PHE A 83 6.255 2.174 -3.903 1.00 0.00 C ATOM 1246 O PHE A 83 5.152 2.127 -3.358 1.00 0.00 O ATOM 1247 CB PHE A 83 8.155 1.090 -2.679 1.00 0.00 C ATOM 1248 CG PHE A 83 7.972 0.003 -1.663 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.183 -1.321 -2.008 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.584 0.301 -0.367 1.00 0.00 C ATOM 1251 CE1 PHE A 83 8.013 -2.329 -1.080 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.412 -0.703 0.566 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.626 -2.021 0.209 1.00 0.00 C ATOM 0 H PHE A 83 8.822 1.398 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 83 6.596 0.071 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.181 1.067 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.010 2.057 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.484 -1.568 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.414 1.329 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.183 -3.358 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.110 -0.458 1.574 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.491 -2.808 0.936 1.00 0.00 H new ATOM 1263 N ALA A 84 6.700 3.249 -4.547 1.00 0.00 N ATOM 1264 CA ALA A 84 5.899 4.463 -4.653 1.00 0.00 C ATOM 1265 C ALA A 84 4.792 4.311 -5.694 1.00 0.00 C ATOM 1266 O ALA A 84 3.737 4.934 -5.587 1.00 0.00 O ATOM 1267 CB ALA A 84 6.787 5.650 -4.996 1.00 0.00 C ATOM 0 H ALA A 84 7.611 3.304 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 84 5.426 4.639 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.177 6.550 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.535 5.783 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.286 5.468 -5.948 1.00 0.00 H new ATOM 1273 N ALA A 85 5.044 3.480 -6.701 1.00 0.00 N ATOM 1274 CA ALA A 85 4.071 3.247 -7.764 1.00 0.00 C ATOM 1275 C ALA A 85 2.923 2.373 -7.296 1.00 0.00 C ATOM 1276 O ALA A 85 1.905 2.233 -7.975 1.00 0.00 O ATOM 1277 CB ALA A 85 4.750 2.626 -8.971 1.00 0.00 C ATOM 0 H ALA A 85 5.913 2.957 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 85 3.653 4.213 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.013 2.457 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.525 3.299 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.200 1.675 -8.686 1.00 0.00 H new ATOM 1283 N MET A 86 3.105 1.796 -6.135 1.00 0.00 N ATOM 1284 CA MET A 86 2.103 0.923 -5.536 1.00 0.00 C ATOM 1285 C MET A 86 1.054 1.734 -4.782 1.00 0.00 C ATOM 1286 O MET A 86 -0.099 1.317 -4.662 1.00 0.00 O ATOM 1287 CB MET A 86 2.768 -0.077 -4.591 1.00 0.00 C ATOM 1288 CG MET A 86 3.548 -1.168 -5.307 1.00 0.00 C ATOM 1289 SD MET A 86 2.492 -2.506 -5.893 1.00 0.00 S ATOM 1290 CE MET A 86 2.933 -3.810 -4.745 1.00 0.00 C ATOM 0 H MET A 86 3.948 1.912 -5.572 1.00 0.00 H new ATOM 0 HA MET A 86 1.606 0.378 -6.339 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.441 0.460 -3.923 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.002 -0.539 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.080 -0.733 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.301 -1.574 -4.631 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.102 -4.509 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.812 -4.339 -5.115 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.154 -3.377 -3.770 1.00 0.00 H new ATOM 1300 N LEU A 87 1.459 2.892 -4.272 1.00 0.00 N ATOM 1301 CA LEU A 87 0.551 3.759 -3.524 1.00 0.00 C ATOM 1302 C LEU A 87 0.043 4.906 -4.371 1.00 0.00 C ATOM 1303 O LEU A 87 -0.828 5.674 -3.966 1.00 0.00 O ATOM 1304 CB LEU A 87 1.253 4.307 -2.293 1.00 0.00 C ATOM 1305 CG LEU A 87 1.770 3.253 -1.314 1.00 0.00 C ATOM 1306 CD1 LEU A 87 3.081 3.706 -0.688 1.00 0.00 C ATOM 1307 CD2 LEU A 87 0.732 2.971 -0.239 1.00 0.00 C ATOM 0 H LEU A 87 2.409 3.253 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.307 3.157 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.093 4.922 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.563 4.964 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 87 1.953 2.330 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.435 2.944 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.825 3.858 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.924 4.641 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.116 2.218 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.517 3.888 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.183 2.604 -0.704 1.00 0.00 H new ATOM 1319 N TYR A 88 0.605 5.000 -5.540 1.00 0.00 N ATOM 1320 CA TYR A 88 0.250 6.040 -6.499 1.00 0.00 C ATOM 1321 C TYR A 88 -0.137 5.442 -7.849 1.00 0.00 C ATOM 1322 O TYR A 88 -0.082 6.119 -8.876 1.00 0.00 O ATOM 1323 CB TYR A 88 1.411 7.020 -6.675 1.00 0.00 C ATOM 1324 CG TYR A 88 1.986 7.518 -5.367 1.00 0.00 C ATOM 1325 CD1 TYR A 88 1.155 7.885 -4.316 1.00 0.00 C ATOM 1326 CD2 TYR A 88 3.358 7.621 -5.186 1.00 0.00 C ATOM 1327 CE1 TYR A 88 1.678 8.340 -3.120 1.00 0.00 C ATOM 1328 CE2 TYR A 88 3.890 8.075 -3.992 1.00 0.00 C ATOM 1329 CZ TYR A 88 3.044 8.433 -2.964 1.00 0.00 C ATOM 1330 OH TYR A 88 3.568 8.887 -1.774 1.00 0.00 O ATOM 0 H TYR A 88 1.328 4.361 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.614 6.575 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.201 6.535 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.070 7.874 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.084 7.814 -4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.022 7.342 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.019 8.621 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.960 8.148 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 88 3.059 9.667 -1.469 1.00 0.00 H new ATOM 1340 N SER A 89 -0.530 4.172 -7.838 1.00 0.00 N ATOM 1341 CA SER A 89 -0.931 3.476 -9.060 1.00 0.00 C ATOM 1342 C SER A 89 0.047 3.746 -10.202 1.00 0.00 C ATOM 1343 O SER A 89 -0.346 3.803 -11.368 1.00 0.00 O ATOM 1344 CB SER A 89 -2.342 3.904 -9.473 1.00 0.00 C ATOM 1345 OG SER A 89 -3.321 3.074 -8.874 1.00 0.00 O ATOM 0 H SER A 89 -0.580 3.601 -6.994 1.00 0.00 H new ATOM 0 HA SER A 89 -0.923 2.406 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.511 4.940 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.436 3.859 -10.558 1.00 0.00 H new ATOM 0 HG SER A 89 -4.214 3.368 -9.152 1.00 0.00 H new