USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 4:sc= -0.661 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -2.84! C(o=-3.5!,f=-5.8!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -6.89! C(o=-7.2!,f=-8.5!) USER MOD Set 2.2: A 96 THR OG1 : rot -51:sc= -0.314 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 2:sc=-0.00709 USER MOD Single : A 33 MET CE :methyl -167:sc= -0.634 (180deg=-1.35) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.979 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -118:sc= 0.405 USER MOD Single : A 69 ASN : amide:sc= 0.0328 X(o=0.033,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0.00613 (180deg=0.00531) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -0.0614 (180deg=-0.397) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 170:sc= -0.439 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.19 (180deg=0.178) USER MOD Single : A 102 TYR OH : rot 90:sc= -2.94 USER MOD Single : A 103 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.7!) USER MOD Single : A 104 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.2) USER MOD Single : A 105 ASN : amide:sc= -1.43! X(o=-1.4!,f=-0.95) USER MOD Single : A 106 SER OG : rot -160:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 144:sc= -0.729 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 89:sc= 0.936 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.5!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.526 -10.610 -9.220 1.00 0.00 N ATOM 297 CA LEU A 23 3.409 -9.335 -8.521 1.00 0.00 C ATOM 298 C LEU A 23 4.354 -8.298 -9.119 1.00 0.00 C ATOM 299 O LEU A 23 4.173 -7.095 -8.927 1.00 0.00 O ATOM 300 CB LEU A 23 3.710 -9.518 -7.032 1.00 0.00 C ATOM 301 CG LEU A 23 2.720 -10.380 -6.248 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.211 -10.596 -4.825 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.339 -9.741 -6.248 1.00 0.00 C ATOM 0 HA LEU A 23 2.386 -8.977 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.702 -9.959 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.752 -8.533 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 23 2.647 -11.352 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.494 -11.212 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.178 -11.099 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.314 -9.633 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.648 -10.368 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.394 -8.756 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.985 -9.640 -7.274 1.00 0.00 H new ATOM 315 N SER A 24 5.361 -8.771 -9.845 1.00 0.00 N ATOM 316 CA SER A 24 6.336 -7.885 -10.470 1.00 0.00 C ATOM 317 C SER A 24 5.656 -6.936 -11.452 1.00 0.00 C ATOM 318 O SER A 24 6.028 -5.767 -11.563 1.00 0.00 O ATOM 319 CB SER A 24 7.409 -8.701 -11.193 1.00 0.00 C ATOM 320 OG SER A 24 8.141 -9.502 -10.281 1.00 0.00 O ATOM 0 H SER A 24 5.523 -9.763 -10.015 1.00 0.00 H new ATOM 0 HA SER A 24 6.807 -7.293 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.942 -9.336 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.088 -8.030 -11.719 1.00 0.00 H new ATOM 0 HG SER A 24 8.819 -10.015 -10.768 1.00 0.00 H new ATOM 326 N VAL A 25 4.656 -7.447 -12.163 1.00 0.00 N ATOM 327 CA VAL A 25 3.922 -6.646 -13.136 1.00 0.00 C ATOM 328 C VAL A 25 3.392 -5.364 -12.504 1.00 0.00 C ATOM 329 O VAL A 25 3.080 -4.398 -13.201 1.00 0.00 O ATOM 330 CB VAL A 25 2.743 -7.434 -13.736 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.225 -8.752 -14.324 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.670 -7.672 -12.684 1.00 0.00 C ATOM 0 H VAL A 25 4.335 -8.412 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 25 4.623 -6.393 -13.931 1.00 0.00 H new ATOM 0 HB VAL A 25 2.306 -6.842 -14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.378 -9.295 -14.743 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.954 -8.555 -15.110 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.689 -9.352 -13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.845 -8.230 -13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.092 -8.242 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.304 -6.714 -12.315 1.00 0.00 H new ATOM 342 N HIS A 26 3.293 -5.361 -11.178 1.00 0.00 N ATOM 343 CA HIS A 26 2.802 -4.196 -10.451 1.00 0.00 C ATOM 344 C HIS A 26 3.892 -3.136 -10.323 1.00 0.00 C ATOM 345 O HIS A 26 5.082 -3.441 -10.405 1.00 0.00 O ATOM 346 CB HIS A 26 2.308 -4.606 -9.063 1.00 0.00 C ATOM 347 CG HIS A 26 1.323 -5.734 -9.087 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.249 -5.776 -9.951 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.255 -6.865 -8.348 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.438 -6.885 -9.740 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.151 -7.564 -8.773 1.00 0.00 N ATOM 0 H HIS A 26 3.546 -6.152 -10.586 1.00 0.00 H new ATOM 0 HA HIS A 26 1.971 -3.771 -11.014 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.164 -4.895 -8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.848 -3.743 -8.580 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.021 -5.063 -10.644 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.941 -7.163 -7.569 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.330 -7.185 -10.269 1.00 0.00 H new ATOM 359 N LEU A 27 3.478 -1.890 -10.123 1.00 0.00 N ATOM 360 CA LEU A 27 4.419 -0.783 -9.985 1.00 0.00 C ATOM 361 C LEU A 27 4.934 -0.683 -8.553 1.00 0.00 C ATOM 362 O LEU A 27 6.084 -0.308 -8.321 1.00 0.00 O ATOM 363 CB LEU A 27 3.753 0.532 -10.393 1.00 0.00 C ATOM 364 CG LEU A 27 3.523 0.731 -11.892 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.787 2.036 -12.150 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.847 0.706 -12.642 1.00 0.00 C ATOM 0 H LEU A 27 2.497 -1.620 -10.053 1.00 0.00 H new ATOM 0 HA LEU A 27 5.266 -0.973 -10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.791 0.601 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.366 1.356 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 27 2.905 -0.089 -12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.632 2.161 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.822 2.016 -11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.379 2.869 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.665 0.849 -13.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.489 1.506 -12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.337 -0.255 -12.484 1.00 0.00 H new ATOM 378 N TRP A 28 4.077 -1.021 -7.596 1.00 0.00 N ATOM 379 CA TRP A 28 4.447 -0.971 -6.186 1.00 0.00 C ATOM 380 C TRP A 28 5.193 -2.235 -5.774 1.00 0.00 C ATOM 381 O TRP A 28 5.287 -2.552 -4.588 1.00 0.00 O ATOM 382 CB TRP A 28 3.201 -0.793 -5.317 1.00 0.00 C ATOM 383 CG TRP A 28 2.016 -1.565 -5.812 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.923 -1.063 -6.460 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.804 -2.976 -5.699 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.044 -2.077 -6.755 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.562 -3.261 -6.300 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.543 -4.027 -5.150 1.00 0.00 C ATOM 389 CZ2 TRP A 28 0.045 -4.552 -6.364 1.00 0.00 C ATOM 390 CZ3 TRP A 28 2.028 -5.308 -5.214 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.790 -5.562 -5.819 1.00 0.00 C ATOM 0 H TRP A 28 3.122 -1.333 -7.771 1.00 0.00 H new ATOM 0 HA TRP A 28 5.109 -0.117 -6.039 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.430 -1.106 -4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.944 0.266 -5.275 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.772 -0.022 -6.704 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.849 -1.966 -7.235 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.500 -3.842 -4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.910 -4.749 -6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.590 -6.127 -4.790 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.417 -6.575 -5.856 1.00 0.00 H new ATOM 402 N TYR A 29 5.721 -2.953 -6.758 1.00 0.00 N ATOM 403 CA TYR A 29 6.457 -4.185 -6.497 1.00 0.00 C ATOM 404 C TYR A 29 7.922 -4.039 -6.896 1.00 0.00 C ATOM 405 O TYR A 29 8.280 -4.216 -8.060 1.00 0.00 O ATOM 406 CB TYR A 29 5.824 -5.353 -7.255 1.00 0.00 C ATOM 407 CG TYR A 29 6.071 -6.698 -6.611 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.299 -7.130 -5.540 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.078 -7.537 -7.072 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.521 -8.358 -4.948 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.307 -8.767 -6.487 1.00 0.00 C ATOM 412 CZ TYR A 29 6.527 -9.173 -5.425 1.00 0.00 C ATOM 413 OH TYR A 29 6.753 -10.397 -4.838 1.00 0.00 O ATOM 0 H TYR A 29 5.653 -2.704 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 29 6.409 -4.387 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.749 -5.187 -7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.215 -5.369 -8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.511 -6.494 -5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.692 -7.222 -7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.911 -8.678 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.093 -9.407 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 29 6.098 -10.544 -4.124 1.00 0.00 H new ATOM 423 N ALA A 30 8.765 -3.715 -5.921 1.00 0.00 N ATOM 424 CA ALA A 30 10.191 -3.547 -6.168 1.00 0.00 C ATOM 425 C ALA A 30 10.962 -4.816 -5.819 1.00 0.00 C ATOM 426 O ALA A 30 12.077 -4.755 -5.303 1.00 0.00 O ATOM 427 CB ALA A 30 10.730 -2.365 -5.376 1.00 0.00 C ATOM 0 H ALA A 30 8.484 -3.564 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 30 10.329 -3.350 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.796 -2.252 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.208 -1.457 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.572 -2.538 -4.311 1.00 0.00 H new ATOM 433 N GLY A 31 10.359 -5.967 -6.102 1.00 0.00 N ATOM 434 CA GLY A 31 11.003 -7.234 -5.810 1.00 0.00 C ATOM 435 C GLY A 31 11.844 -7.179 -4.550 1.00 0.00 C ATOM 436 O GLY A 31 11.528 -6.468 -3.597 1.00 0.00 O ATOM 0 H GLY A 31 9.436 -6.044 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.243 -8.008 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.633 -7.520 -6.652 1.00 0.00 H new ATOM 440 N PRO A 32 12.944 -7.947 -4.535 1.00 0.00 N ATOM 441 CA PRO A 32 13.856 -8.001 -3.389 1.00 0.00 C ATOM 442 C PRO A 32 14.639 -6.705 -3.209 1.00 0.00 C ATOM 443 O PRO A 32 15.684 -6.509 -3.828 1.00 0.00 O ATOM 444 CB PRO A 32 14.801 -9.152 -3.741 1.00 0.00 C ATOM 445 CG PRO A 32 14.773 -9.223 -5.229 1.00 0.00 C ATOM 446 CD PRO A 32 13.383 -8.820 -5.637 1.00 0.00 C ATOM 0 HA PRO A 32 13.321 -8.142 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.809 -8.963 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.468 -10.089 -3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.517 -8.556 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.005 -10.230 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.381 -8.294 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.730 -9.686 -5.749 1.00 0.00 H new ATOM 454 N MET A 33 14.127 -5.823 -2.356 1.00 0.00 N ATOM 455 CA MET A 33 14.780 -4.546 -2.094 1.00 0.00 C ATOM 456 C MET A 33 15.000 -4.345 -0.598 1.00 0.00 C ATOM 457 O MET A 33 14.119 -4.633 0.212 1.00 0.00 O ATOM 458 CB MET A 33 13.943 -3.396 -2.657 1.00 0.00 C ATOM 459 CG MET A 33 14.650 -2.051 -2.610 1.00 0.00 C ATOM 460 SD MET A 33 13.986 -0.876 -3.806 1.00 0.00 S ATOM 461 CE MET A 33 12.380 -0.535 -3.091 1.00 0.00 C ATOM 0 H MET A 33 13.262 -5.970 -1.835 1.00 0.00 H new ATOM 0 HA MET A 33 15.751 -4.555 -2.588 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.678 -3.622 -3.690 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.011 -3.327 -2.096 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.561 -1.633 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.713 -2.197 -2.801 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.761 -0.013 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.900 -1.473 -2.812 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.501 0.088 -2.205 1.00 0.00 H new ATOM 471 N GLU A 34 16.181 -3.851 -0.239 1.00 0.00 N ATOM 472 CA GLU A 34 16.515 -3.613 1.160 1.00 0.00 C ATOM 473 C GLU A 34 15.867 -2.327 1.664 1.00 0.00 C ATOM 474 O GLU A 34 15.599 -1.409 0.889 1.00 0.00 O ATOM 475 CB GLU A 34 18.033 -3.536 1.339 1.00 0.00 C ATOM 476 CG GLU A 34 18.691 -4.889 1.548 1.00 0.00 C ATOM 477 CD GLU A 34 18.007 -5.710 2.624 1.00 0.00 C ATOM 478 OE1 GLU A 34 17.501 -5.112 3.596 1.00 0.00 O ATOM 479 OE2 GLU A 34 17.979 -6.952 2.493 1.00 0.00 O ATOM 0 H GLU A 34 16.922 -3.608 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 34 16.129 -4.447 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.470 -3.061 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.258 -2.897 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.678 -5.444 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.737 -4.742 1.818 1.00 0.00 H new ATOM 486 N ARG A 35 15.617 -2.269 2.968 1.00 0.00 N ATOM 487 CA ARG A 35 14.998 -1.097 3.576 1.00 0.00 C ATOM 488 C ARG A 35 15.608 0.188 3.023 1.00 0.00 C ATOM 489 O ARG A 35 14.907 1.023 2.453 1.00 0.00 O ATOM 490 CB ARG A 35 15.161 -1.139 5.096 1.00 0.00 C ATOM 491 CG ARG A 35 14.490 0.022 5.813 1.00 0.00 C ATOM 492 CD ARG A 35 14.302 -0.271 7.293 1.00 0.00 C ATOM 493 NE ARG A 35 15.531 -0.064 8.053 1.00 0.00 N ATOM 494 CZ ARG A 35 15.596 -0.126 9.378 1.00 0.00 C ATOM 495 NH1 ARG A 35 14.506 -0.389 10.087 1.00 0.00 N ATOM 496 NH2 ARG A 35 16.752 0.074 9.998 1.00 0.00 N ATOM 0 H ARG A 35 15.834 -3.020 3.624 1.00 0.00 H new ATOM 0 HA ARG A 35 13.936 -1.109 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.747 -2.075 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.224 -1.140 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.093 0.922 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.522 0.223 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.517 0.371 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.967 -1.301 7.419 1.00 0.00 H new ATOM 0 HE ARG A 35 16.387 0.140 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.615 -0.544 9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.559 -0.436 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.593 0.276 9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.800 0.026 11.016 1.00 0.00 H new ATOM 510 N ALA A 36 16.917 0.338 3.197 1.00 0.00 N ATOM 511 CA ALA A 36 17.621 1.519 2.715 1.00 0.00 C ATOM 512 C ALA A 36 17.059 1.984 1.375 1.00 0.00 C ATOM 513 O ALA A 36 16.521 3.085 1.265 1.00 0.00 O ATOM 514 CB ALA A 36 19.110 1.234 2.594 1.00 0.00 C ATOM 0 H ALA A 36 17.511 -0.344 3.668 1.00 0.00 H new ATOM 0 HA ALA A 36 17.474 2.320 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.623 2.125 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.508 0.957 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.268 0.415 1.892 1.00 0.00 H new ATOM 520 N GLY A 37 17.190 1.138 0.358 1.00 0.00 N ATOM 521 CA GLY A 37 16.692 1.481 -0.961 1.00 0.00 C ATOM 522 C GLY A 37 15.356 2.195 -0.908 1.00 0.00 C ATOM 523 O GLY A 37 15.205 3.286 -1.458 1.00 0.00 O ATOM 0 H GLY A 37 17.632 0.221 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.420 2.115 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.592 0.573 -1.556 1.00 0.00 H new ATOM 527 N ALA A 38 14.383 1.578 -0.246 1.00 0.00 N ATOM 528 CA ALA A 38 13.053 2.162 -0.124 1.00 0.00 C ATOM 529 C ALA A 38 13.114 3.534 0.540 1.00 0.00 C ATOM 530 O ALA A 38 12.384 4.449 0.161 1.00 0.00 O ATOM 531 CB ALA A 38 12.139 1.233 0.663 1.00 0.00 C ATOM 0 H ALA A 38 14.491 0.674 0.214 1.00 0.00 H new ATOM 0 HA ALA A 38 12.646 2.291 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.149 1.681 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.061 0.276 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.551 1.075 1.660 1.00 0.00 H new ATOM 537 N GLU A 39 13.989 3.668 1.531 1.00 0.00 N ATOM 538 CA GLU A 39 14.143 4.928 2.248 1.00 0.00 C ATOM 539 C GLU A 39 14.802 5.981 1.361 1.00 0.00 C ATOM 540 O GLU A 39 14.581 7.180 1.534 1.00 0.00 O ATOM 541 CB GLU A 39 14.975 4.722 3.516 1.00 0.00 C ATOM 542 CG GLU A 39 14.274 3.886 4.573 1.00 0.00 C ATOM 543 CD GLU A 39 14.847 4.100 5.961 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.914 3.523 6.258 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.229 4.846 6.749 1.00 0.00 O ATOM 0 H GLU A 39 14.602 2.920 1.856 1.00 0.00 H new ATOM 0 HA GLU A 39 13.150 5.281 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.916 4.241 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.223 5.695 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.212 4.132 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.355 2.831 4.309 1.00 0.00 H new ATOM 552 N SER A 40 15.611 5.524 0.411 1.00 0.00 N ATOM 553 CA SER A 40 16.305 6.425 -0.501 1.00 0.00 C ATOM 554 C SER A 40 15.475 6.673 -1.757 1.00 0.00 C ATOM 555 O SER A 40 15.638 7.691 -2.431 1.00 0.00 O ATOM 556 CB SER A 40 17.669 5.847 -0.883 1.00 0.00 C ATOM 557 OG SER A 40 18.451 6.802 -1.579 1.00 0.00 O ATOM 0 H SER A 40 15.802 4.535 0.253 1.00 0.00 H new ATOM 0 HA SER A 40 16.452 7.377 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.196 5.526 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.531 4.962 -1.505 1.00 0.00 H new ATOM 0 HG SER A 40 19.318 6.409 -1.810 1.00 0.00 H new ATOM 563 N ILE A 41 14.586 5.735 -2.065 1.00 0.00 N ATOM 564 CA ILE A 41 13.730 5.851 -3.239 1.00 0.00 C ATOM 565 C ILE A 41 12.586 6.828 -2.990 1.00 0.00 C ATOM 566 O ILE A 41 12.436 7.821 -3.705 1.00 0.00 O ATOM 567 CB ILE A 41 13.144 4.486 -3.646 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.243 3.585 -4.214 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.026 4.670 -4.660 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.998 2.111 -3.976 1.00 0.00 C ATOM 0 H ILE A 41 14.440 4.887 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 41 14.355 6.225 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 41 12.728 4.007 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.329 3.762 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.197 3.863 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.622 3.696 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.235 5.279 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.418 5.167 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.816 1.532 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.941 1.920 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.060 1.817 -4.447 1.00 0.00 H new ATOM 582 N LEU A 42 11.782 6.543 -1.972 1.00 0.00 N ATOM 583 CA LEU A 42 10.651 7.397 -1.627 1.00 0.00 C ATOM 584 C LEU A 42 11.130 8.735 -1.071 1.00 0.00 C ATOM 585 O LEU A 42 10.384 9.714 -1.055 1.00 0.00 O ATOM 586 CB LEU A 42 9.752 6.700 -0.605 1.00 0.00 C ATOM 587 CG LEU A 42 9.320 5.275 -0.953 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.629 4.621 0.234 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.407 5.277 -2.170 1.00 0.00 C ATOM 0 H LEU A 42 11.892 5.727 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 42 10.079 7.585 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.274 6.677 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.857 7.306 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 42 10.211 4.694 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.329 3.608 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.315 4.585 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.747 5.201 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.109 4.255 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.520 5.874 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.937 5.704 -3.022 1.00 0.00 H new ATOM 601 N ALA A 43 12.379 8.769 -0.618 1.00 0.00 N ATOM 602 CA ALA A 43 12.958 9.987 -0.066 1.00 0.00 C ATOM 603 C ALA A 43 12.665 11.188 -0.959 1.00 0.00 C ATOM 604 O ALA A 43 12.231 12.236 -0.483 1.00 0.00 O ATOM 605 CB ALA A 43 14.458 9.820 0.122 1.00 0.00 C ATOM 0 H ALA A 43 13.009 7.967 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 43 12.499 10.170 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.877 10.737 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.649 8.993 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.924 9.609 -0.841 1.00 0.00 H new ATOM 611 N ASN A 44 12.907 11.028 -2.256 1.00 0.00 N ATOM 612 CA ASN A 44 12.670 12.101 -3.216 1.00 0.00 C ATOM 613 C ASN A 44 11.221 12.095 -3.691 1.00 0.00 C ATOM 614 O ASN A 44 10.650 13.144 -3.988 1.00 0.00 O ATOM 615 CB ASN A 44 13.612 11.959 -4.413 1.00 0.00 C ATOM 616 CG ASN A 44 15.022 11.584 -3.998 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.629 12.244 -3.155 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.550 10.519 -4.591 1.00 0.00 N ATOM 0 H ASN A 44 13.267 10.166 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 44 12.866 13.051 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.222 11.200 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.637 12.898 -4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.495 10.219 -4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.010 10.001 -5.285 1.00 0.00 H new ATOM 625 N ARG A 45 10.631 10.905 -3.761 1.00 0.00 N ATOM 626 CA ARG A 45 9.249 10.762 -4.202 1.00 0.00 C ATOM 627 C ARG A 45 8.347 11.772 -3.497 1.00 0.00 C ATOM 628 O ARG A 45 8.776 12.465 -2.575 1.00 0.00 O ATOM 629 CB ARG A 45 8.750 9.342 -3.932 1.00 0.00 C ATOM 630 CG ARG A 45 9.478 8.278 -4.738 1.00 0.00 C ATOM 631 CD ARG A 45 9.110 8.346 -6.212 1.00 0.00 C ATOM 632 NE ARG A 45 10.148 7.769 -7.062 1.00 0.00 N ATOM 633 CZ ARG A 45 10.112 7.800 -8.389 1.00 0.00 C ATOM 634 NH1 ARG A 45 9.096 8.378 -9.015 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.095 7.253 -9.094 1.00 0.00 N ATOM 0 H ARG A 45 11.089 10.027 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 45 9.214 10.955 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.862 9.122 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.685 9.291 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.554 8.407 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.232 7.291 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.171 7.817 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.944 9.385 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 45 10.944 7.318 -6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.339 8.800 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.071 8.400 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.879 6.808 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.066 7.277 -10.113 1.00 0.00 H new ATOM 649 N SER A 46 7.096 11.849 -3.939 1.00 0.00 N ATOM 650 CA SER A 46 6.134 12.776 -3.354 1.00 0.00 C ATOM 651 C SER A 46 5.319 12.094 -2.259 1.00 0.00 C ATOM 652 O SER A 46 4.860 10.964 -2.425 1.00 0.00 O ATOM 653 CB SER A 46 5.201 13.325 -4.435 1.00 0.00 C ATOM 654 OG SER A 46 5.683 14.553 -4.950 1.00 0.00 O ATOM 0 H SER A 46 6.725 11.281 -4.700 1.00 0.00 H new ATOM 0 HA SER A 46 6.687 13.603 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.109 12.599 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.203 13.468 -4.020 1.00 0.00 H new ATOM 0 HG SER A 46 5.070 14.882 -5.640 1.00 0.00 H new ATOM 660 N ASP A 47 5.143 12.790 -1.142 1.00 0.00 N ATOM 661 CA ASP A 47 4.382 12.254 -0.019 1.00 0.00 C ATOM 662 C ASP A 47 3.192 11.436 -0.510 1.00 0.00 C ATOM 663 O ASP A 47 2.357 11.929 -1.268 1.00 0.00 O ATOM 664 CB ASP A 47 3.898 13.389 0.885 1.00 0.00 C ATOM 665 CG ASP A 47 2.737 14.155 0.282 1.00 0.00 C ATOM 666 OD1 ASP A 47 2.985 15.039 -0.563 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.580 13.870 0.656 1.00 0.00 O ATOM 0 H ASP A 47 5.517 13.727 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 47 5.039 11.599 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.597 12.979 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.723 14.076 1.074 1.00 0.00 H new ATOM 672 N GLY A 48 3.121 10.182 -0.073 1.00 0.00 N ATOM 673 CA GLY A 48 2.030 9.315 -0.480 1.00 0.00 C ATOM 674 C GLY A 48 2.498 8.162 -1.345 1.00 0.00 C ATOM 675 O GLY A 48 1.818 7.141 -1.454 1.00 0.00 O ATOM 0 H GLY A 48 3.799 9.751 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.533 8.922 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.291 9.899 -1.028 1.00 0.00 H new ATOM 679 N THR A 49 3.663 8.324 -1.965 1.00 0.00 N ATOM 680 CA THR A 49 4.220 7.289 -2.828 1.00 0.00 C ATOM 681 C THR A 49 4.561 6.035 -2.032 1.00 0.00 C ATOM 682 O THR A 49 5.533 6.011 -1.277 1.00 0.00 O ATOM 683 CB THR A 49 5.486 7.784 -3.552 1.00 0.00 C ATOM 684 OG1 THR A 49 5.264 9.092 -4.090 1.00 0.00 O ATOM 685 CG2 THR A 49 5.877 6.830 -4.671 1.00 0.00 C ATOM 0 H THR A 49 4.239 9.162 -1.886 1.00 0.00 H new ATOM 0 HA THR A 49 3.457 7.049 -3.568 1.00 0.00 H new ATOM 0 HB THR A 49 6.300 7.823 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.497 9.766 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.774 7.200 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.074 5.842 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.063 6.763 -5.393 1.00 0.00 H new ATOM 693 N PHE A 50 3.755 4.992 -2.206 1.00 0.00 N ATOM 694 CA PHE A 50 3.971 3.733 -1.503 1.00 0.00 C ATOM 695 C PHE A 50 4.766 2.758 -2.366 1.00 0.00 C ATOM 696 O PHE A 50 4.767 2.857 -3.594 1.00 0.00 O ATOM 697 CB PHE A 50 2.632 3.108 -1.108 1.00 0.00 C ATOM 698 CG PHE A 50 1.873 2.533 -2.270 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.202 3.362 -3.155 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.831 1.164 -2.478 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.503 2.835 -4.224 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.134 0.631 -3.546 1.00 0.00 C ATOM 703 CZ PHE A 50 0.470 1.468 -4.420 1.00 0.00 C ATOM 0 H PHE A 50 2.947 4.994 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 50 4.545 3.944 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.810 2.321 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.017 3.864 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.226 4.432 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.349 0.505 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.017 3.491 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.109 -0.438 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.075 1.055 -5.256 1.00 0.00 H new ATOM 713 N LEU A 51 5.441 1.816 -1.717 1.00 0.00 N ATOM 714 CA LEU A 51 6.241 0.822 -2.424 1.00 0.00 C ATOM 715 C LEU A 51 6.350 -0.466 -1.613 1.00 0.00 C ATOM 716 O LEU A 51 6.673 -0.438 -0.426 1.00 0.00 O ATOM 717 CB LEU A 51 7.636 1.375 -2.716 1.00 0.00 C ATOM 718 CG LEU A 51 8.678 1.186 -1.612 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.213 -0.238 -1.621 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.813 2.186 -1.773 1.00 0.00 C ATOM 0 H LEU A 51 5.450 1.719 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 51 5.743 0.595 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.009 0.903 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.546 2.441 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 51 8.197 1.365 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.953 -0.354 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.392 -0.936 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.678 -0.446 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.545 2.037 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.293 2.039 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.416 3.199 -1.715 1.00 0.00 H new ATOM 732 N VAL A 52 6.081 -1.593 -2.264 1.00 0.00 N ATOM 733 CA VAL A 52 6.153 -2.892 -1.605 1.00 0.00 C ATOM 734 C VAL A 52 7.454 -3.610 -1.945 1.00 0.00 C ATOM 735 O VAL A 52 7.824 -3.726 -3.113 1.00 0.00 O ATOM 736 CB VAL A 52 4.966 -3.789 -2.002 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.936 -5.046 -1.145 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.657 -3.023 -1.884 1.00 0.00 C ATOM 0 H VAL A 52 5.811 -1.633 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 52 6.115 -2.705 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 52 5.093 -4.090 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.090 -5.667 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.862 -5.604 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.834 -4.769 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.829 -3.672 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.521 -2.691 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.682 -2.156 -2.544 1.00 0.00 H new ATOM 748 N ARG A 53 8.145 -4.089 -0.916 1.00 0.00 N ATOM 749 CA ARG A 53 9.407 -4.796 -1.105 1.00 0.00 C ATOM 750 C ARG A 53 9.373 -6.161 -0.425 1.00 0.00 C ATOM 751 O ARG A 53 8.701 -6.342 0.590 1.00 0.00 O ATOM 752 CB ARG A 53 10.568 -3.967 -0.553 1.00 0.00 C ATOM 753 CG ARG A 53 10.514 -3.772 0.954 1.00 0.00 C ATOM 754 CD ARG A 53 11.006 -2.390 1.354 1.00 0.00 C ATOM 755 NE ARG A 53 10.613 -2.043 2.718 1.00 0.00 N ATOM 756 CZ ARG A 53 9.352 -1.871 3.098 1.00 0.00 C ATOM 757 NH1 ARG A 53 8.367 -2.014 2.223 1.00 0.00 N ATOM 758 NH2 ARG A 53 9.075 -1.557 4.357 1.00 0.00 N ATOM 0 H ARG A 53 7.853 -4.001 0.057 1.00 0.00 H new ATOM 0 HA ARG A 53 9.554 -4.946 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.508 -4.454 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.569 -2.991 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.491 -3.911 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.124 -4.532 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.092 -2.353 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.607 -1.649 0.662 1.00 0.00 H new ATOM 0 HE ARG A 53 11.347 -1.927 3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.576 -2.257 1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.400 -1.881 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.831 -1.448 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.106 -1.425 4.648 1.00 0.00 H new ATOM 898 N PHE A 62 6.748 -9.702 3.459 1.00 0.00 N ATOM 899 CA PHE A 62 6.583 -8.503 2.645 1.00 0.00 C ATOM 900 C PHE A 62 6.372 -7.274 3.524 1.00 0.00 C ATOM 901 O PHE A 62 6.082 -7.391 4.714 1.00 0.00 O ATOM 902 CB PHE A 62 5.400 -8.669 1.689 1.00 0.00 C ATOM 903 CG PHE A 62 5.678 -9.608 0.549 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.639 -10.980 0.739 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.976 -9.118 -0.712 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.895 -11.845 -0.307 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.232 -9.978 -1.763 1.00 0.00 C ATOM 908 CZ PHE A 62 6.191 -11.344 -1.560 1.00 0.00 C ATOM 0 HA PHE A 62 7.494 -8.360 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.539 -9.035 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.128 -7.693 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.406 -11.377 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.009 -8.051 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.864 -12.912 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.464 -9.583 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.390 -12.019 -2.379 1.00 0.00 H new ATOM 918 N ALA A 63 6.522 -6.095 2.928 1.00 0.00 N ATOM 919 CA ALA A 63 6.347 -4.844 3.655 1.00 0.00 C ATOM 920 C ALA A 63 6.008 -3.700 2.705 1.00 0.00 C ATOM 921 O ALA A 63 6.525 -3.633 1.590 1.00 0.00 O ATOM 922 CB ALA A 63 7.601 -4.517 4.451 1.00 0.00 C ATOM 0 H ALA A 63 6.764 -5.981 1.944 1.00 0.00 H new ATOM 0 HA ALA A 63 5.513 -4.967 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.456 -3.580 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.799 -5.318 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.448 -4.418 3.772 1.00 0.00 H new ATOM 928 N ILE A 64 5.136 -2.804 3.154 1.00 0.00 N ATOM 929 CA ILE A 64 4.729 -1.663 2.343 1.00 0.00 C ATOM 930 C ILE A 64 5.288 -0.360 2.906 1.00 0.00 C ATOM 931 O ILE A 64 4.881 0.091 3.976 1.00 0.00 O ATOM 932 CB ILE A 64 3.195 -1.554 2.255 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.643 -2.591 1.275 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.787 -0.150 1.833 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.258 -3.083 1.632 1.00 0.00 C ATOM 0 H ILE A 64 4.698 -2.846 4.074 1.00 0.00 H new ATOM 0 HA ILE A 64 5.132 -1.827 1.344 1.00 0.00 H new ATOM 0 HB ILE A 64 2.775 -1.753 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.619 -2.157 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.323 -3.442 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.700 -0.089 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.153 0.571 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.215 0.075 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.931 -3.815 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.280 -3.546 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.564 -2.242 1.641 1.00 0.00 H new ATOM 947 N SER A 65 6.223 0.240 2.177 1.00 0.00 N ATOM 948 CA SER A 65 6.840 1.490 2.604 1.00 0.00 C ATOM 949 C SER A 65 6.385 2.649 1.723 1.00 0.00 C ATOM 950 O SER A 65 6.412 2.558 0.495 1.00 0.00 O ATOM 951 CB SER A 65 8.365 1.371 2.562 1.00 0.00 C ATOM 952 OG SER A 65 8.976 2.343 3.392 1.00 0.00 O ATOM 0 H SER A 65 6.570 -0.119 1.288 1.00 0.00 H new ATOM 0 HA SER A 65 6.526 1.690 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.664 0.374 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.714 1.493 1.537 1.00 0.00 H new ATOM 0 HG SER A 65 8.284 2.850 3.866 1.00 0.00 H new ATOM 958 N ILE A 66 5.967 3.739 2.359 1.00 0.00 N ATOM 959 CA ILE A 66 5.507 4.917 1.635 1.00 0.00 C ATOM 960 C ILE A 66 6.034 6.196 2.275 1.00 0.00 C ATOM 961 O ILE A 66 6.472 6.194 3.426 1.00 0.00 O ATOM 962 CB ILE A 66 3.969 4.979 1.580 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.432 5.862 2.707 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.379 3.579 1.669 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.807 5.373 4.089 1.00 0.00 C ATOM 0 H ILE A 66 5.938 3.830 3.375 1.00 0.00 H new ATOM 0 HA ILE A 66 5.895 4.835 0.620 1.00 0.00 H new ATOM 0 HB ILE A 66 3.671 5.418 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.809 6.876 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.346 5.914 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.291 3.639 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.740 2.978 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.682 3.115 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.393 6.047 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.406 4.371 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.893 5.348 4.184 1.00 0.00 H new ATOM 977 N LYS A 67 5.987 7.291 1.523 1.00 0.00 N ATOM 978 CA LYS A 67 6.456 8.580 2.017 1.00 0.00 C ATOM 979 C LYS A 67 5.365 9.286 2.816 1.00 0.00 C ATOM 980 O LYS A 67 4.335 9.679 2.266 1.00 0.00 O ATOM 981 CB LYS A 67 6.902 9.464 0.850 1.00 0.00 C ATOM 982 CG LYS A 67 7.576 10.753 1.287 1.00 0.00 C ATOM 983 CD LYS A 67 8.926 10.486 1.932 1.00 0.00 C ATOM 984 CE LYS A 67 9.390 11.670 2.766 1.00 0.00 C ATOM 985 NZ LYS A 67 10.875 11.745 2.844 1.00 0.00 N ATOM 0 H LYS A 67 5.628 7.311 0.568 1.00 0.00 H new ATOM 0 HA LYS A 67 7.306 8.402 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.589 8.900 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.034 9.707 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.707 11.407 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.933 11.280 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.860 9.599 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.664 10.273 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.002 12.593 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.977 11.590 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.151 12.565 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.244 10.875 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.268 11.847 1.887 1.00 0.00 H new ATOM 999 N TYR A 68 5.598 9.445 4.114 1.00 0.00 N ATOM 1000 CA TYR A 68 4.634 10.103 4.988 1.00 0.00 C ATOM 1001 C TYR A 68 5.344 10.921 6.063 1.00 0.00 C ATOM 1002 O TYR A 68 6.365 10.501 6.604 1.00 0.00 O ATOM 1003 CB TYR A 68 3.717 9.068 5.642 1.00 0.00 C ATOM 1004 CG TYR A 68 2.422 9.650 6.163 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.345 10.189 7.441 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.276 9.660 5.378 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.164 10.721 7.922 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.091 10.191 5.849 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.040 10.720 7.122 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.138 11.249 7.596 1.00 0.00 O ATOM 0 H TYR A 68 6.446 9.127 4.584 1.00 0.00 H new ATOM 0 HA TYR A 68 4.032 10.779 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.489 8.287 4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.249 8.592 6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.223 10.192 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.312 9.245 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.121 11.135 8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.790 10.192 5.224 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.823 10.549 7.624 1.00 0.00 H new ATOM 1020 N ASN A 69 4.793 12.092 6.366 1.00 0.00 N ATOM 1021 CA ASN A 69 5.372 12.970 7.376 1.00 0.00 C ATOM 1022 C ASN A 69 6.853 13.210 7.103 1.00 0.00 C ATOM 1023 O ASN A 69 7.643 13.404 8.028 1.00 0.00 O ATOM 1024 CB ASN A 69 5.189 12.368 8.771 1.00 0.00 C ATOM 1025 CG ASN A 69 5.022 13.429 9.842 1.00 0.00 C ATOM 1026 OD1 ASN A 69 3.912 13.895 10.102 1.00 0.00 O ATOM 1027 ND2 ASN A 69 6.127 13.816 10.468 1.00 0.00 N ATOM 0 H ASN A 69 3.947 12.455 5.927 1.00 0.00 H new ATOM 0 HA ASN A 69 4.853 13.927 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.316 11.716 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.051 11.746 9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.077 14.527 11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.026 13.402 10.219 1.00 0.00 H new ATOM 1034 N VAL A 70 7.224 13.197 5.827 1.00 0.00 N ATOM 1035 CA VAL A 70 8.610 13.415 5.431 1.00 0.00 C ATOM 1036 C VAL A 70 9.507 12.287 5.927 1.00 0.00 C ATOM 1037 O VAL A 70 10.710 12.472 6.112 1.00 0.00 O ATOM 1038 CB VAL A 70 9.144 14.755 5.971 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.018 15.772 6.085 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.828 14.553 7.315 1.00 0.00 C ATOM 0 H VAL A 70 6.584 13.038 5.049 1.00 0.00 H new ATOM 0 HA VAL A 70 8.628 13.438 4.341 1.00 0.00 H new ATOM 0 HB VAL A 70 9.881 15.142 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.414 16.712 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.577 15.938 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.255 15.395 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.199 15.510 7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.114 14.143 8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.662 13.861 7.198 1.00 0.00 H new ATOM 1050 N GLU A 71 8.914 11.116 6.141 1.00 0.00 N ATOM 1051 CA GLU A 71 9.660 9.957 6.616 1.00 0.00 C ATOM 1052 C GLU A 71 9.142 8.675 5.971 1.00 0.00 C ATOM 1053 O GLU A 71 7.934 8.461 5.870 1.00 0.00 O ATOM 1054 CB GLU A 71 9.563 9.850 8.139 1.00 0.00 C ATOM 1055 CG GLU A 71 8.222 10.297 8.697 1.00 0.00 C ATOM 1056 CD GLU A 71 8.178 10.257 10.212 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.956 9.483 10.809 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.366 11.001 10.801 1.00 0.00 O ATOM 0 H GLU A 71 7.919 10.946 5.993 1.00 0.00 H new ATOM 0 HA GLU A 71 10.705 10.089 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.743 8.816 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.353 10.452 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.011 11.311 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.435 9.657 8.297 1.00 0.00 H new ATOM 1065 N VAL A 72 10.066 7.824 5.534 1.00 0.00 N ATOM 1066 CA VAL A 72 9.704 6.563 4.899 1.00 0.00 C ATOM 1067 C VAL A 72 9.296 5.522 5.936 1.00 0.00 C ATOM 1068 O VAL A 72 10.145 4.877 6.552 1.00 0.00 O ATOM 1069 CB VAL A 72 10.867 6.004 4.058 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.474 4.683 3.414 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.295 7.014 3.004 1.00 0.00 C ATOM 0 H VAL A 72 11.070 7.986 5.608 1.00 0.00 H new ATOM 0 HA VAL A 72 8.858 6.770 4.244 1.00 0.00 H new ATOM 0 HB VAL A 72 11.715 5.820 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.308 4.303 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.220 3.961 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.611 4.837 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.118 6.603 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.454 7.231 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.620 7.933 3.492 1.00 0.00 H new ATOM 1081 N LYS A 73 7.991 5.364 6.126 1.00 0.00 N ATOM 1082 CA LYS A 73 7.468 4.401 7.087 1.00 0.00 C ATOM 1083 C LYS A 73 7.398 3.005 6.476 1.00 0.00 C ATOM 1084 O LYS A 73 7.340 2.886 5.253 1.00 0.00 O ATOM 1085 CB LYS A 73 6.079 4.829 7.566 1.00 0.00 C ATOM 1086 CG LYS A 73 5.979 6.309 7.895 1.00 0.00 C ATOM 1087 CD LYS A 73 6.511 6.608 9.286 1.00 0.00 C ATOM 1088 CE LYS A 73 5.790 7.791 9.916 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.140 7.951 11.355 1.00 0.00 N ATOM 0 H LYS A 73 7.275 5.891 5.626 1.00 0.00 H new ATOM 0 HA LYS A 73 8.147 4.372 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.347 4.586 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.814 4.250 8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.539 6.885 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.939 6.629 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.392 5.729 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.579 6.819 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.047 8.702 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.713 7.655 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.642 8.777 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.856 7.098 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.166 8.090 11.449 1.00 0.00 H new ATOM 1103 N HIS A 74 7.404 1.991 7.329 1.00 0.00 N ATOM 1104 CA HIS A 74 7.340 0.618 6.860 1.00 0.00 C ATOM 1105 C HIS A 74 6.084 -0.056 7.416 1.00 0.00 C ATOM 1106 O HIS A 74 5.627 0.228 8.523 1.00 0.00 O ATOM 1107 CB HIS A 74 8.623 -0.138 7.212 1.00 0.00 C ATOM 1108 CG HIS A 74 9.889 0.633 6.921 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.400 0.781 5.643 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.739 1.297 7.755 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.508 1.502 5.717 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.718 1.821 7.027 1.00 0.00 N ATOM 0 H HIS A 74 7.452 2.093 8.343 1.00 0.00 H new ATOM 0 HA HIS A 74 7.267 0.605 5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.602 -0.396 8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.645 -1.075 6.656 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.634 1.382 8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.136 1.788 4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.498 2.371 7.387 1.00 0.00 H new ATOM 1120 N ILE A 75 5.532 -0.962 6.616 1.00 0.00 N ATOM 1121 CA ILE A 75 4.331 -1.692 7.003 1.00 0.00 C ATOM 1122 C ILE A 75 4.539 -3.198 6.878 1.00 0.00 C ATOM 1123 O ILE A 75 4.407 -3.767 5.794 1.00 0.00 O ATOM 1124 CB ILE A 75 3.120 -1.280 6.145 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.045 0.244 6.030 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.836 -1.836 6.740 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.401 0.909 7.226 1.00 0.00 C ATOM 0 H ILE A 75 5.897 -1.208 5.696 1.00 0.00 H new ATOM 0 HA ILE A 75 4.131 -1.440 8.044 1.00 0.00 H new ATOM 0 HB ILE A 75 3.243 -1.696 5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.052 0.641 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.484 0.505 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.989 -1.536 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.893 -2.924 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.704 -1.447 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.382 1.988 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.382 0.541 7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.975 0.678 8.124 1.00 0.00 H new ATOM 1139 N LYS A 76 4.864 -3.839 7.995 1.00 0.00 N ATOM 1140 CA LYS A 76 5.088 -5.280 8.013 1.00 0.00 C ATOM 1141 C LYS A 76 3.872 -6.026 7.473 1.00 0.00 C ATOM 1142 O LYS A 76 2.752 -5.832 7.947 1.00 0.00 O ATOM 1143 CB LYS A 76 5.398 -5.751 9.436 1.00 0.00 C ATOM 1144 CG LYS A 76 5.674 -7.241 9.537 1.00 0.00 C ATOM 1145 CD LYS A 76 5.277 -7.791 10.897 1.00 0.00 C ATOM 1146 CE LYS A 76 6.375 -7.575 11.927 1.00 0.00 C ATOM 1147 NZ LYS A 76 7.585 -8.391 11.628 1.00 0.00 N ATOM 0 H LYS A 76 4.978 -3.383 8.900 1.00 0.00 H new ATOM 0 HA LYS A 76 5.941 -5.498 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.263 -5.204 9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.558 -5.501 10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.125 -7.767 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.734 -7.428 9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.361 -7.306 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.061 -8.856 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.646 -6.520 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.999 -7.832 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.133 -8.531 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.296 -9.315 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.172 -7.897 10.926 1.00 0.00 H new ATOM 1161 N ILE A 77 4.101 -6.880 6.481 1.00 0.00 N ATOM 1162 CA ILE A 77 3.024 -7.657 5.879 1.00 0.00 C ATOM 1163 C ILE A 77 3.047 -9.100 6.370 1.00 0.00 C ATOM 1164 O ILE A 77 3.999 -9.837 6.117 1.00 0.00 O ATOM 1165 CB ILE A 77 3.114 -7.648 4.342 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.950 -6.223 3.808 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.061 -8.568 3.744 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.298 -6.083 2.343 1.00 0.00 C ATOM 0 H ILE A 77 5.022 -7.051 6.077 1.00 0.00 H new ATOM 0 HA ILE A 77 2.088 -7.187 6.182 1.00 0.00 H new ATOM 0 HB ILE A 77 4.097 -8.015 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.919 -5.903 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.582 -5.551 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.138 -8.551 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.220 -9.585 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.069 -8.229 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.159 -5.047 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.337 -6.372 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.649 -6.729 1.752 1.00 0.00 H new ATOM 1180 N MET A 78 1.990 -9.498 7.072 1.00 0.00 N ATOM 1181 CA MET A 78 1.888 -10.855 7.595 1.00 0.00 C ATOM 1182 C MET A 78 1.117 -11.752 6.632 1.00 0.00 C ATOM 1183 O MET A 78 0.148 -11.322 6.007 1.00 0.00 O ATOM 1184 CB MET A 78 1.201 -10.846 8.963 1.00 0.00 C ATOM 1185 CG MET A 78 1.702 -9.749 9.887 1.00 0.00 C ATOM 1186 SD MET A 78 1.498 -10.163 11.630 1.00 0.00 S ATOM 1187 CE MET A 78 -0.076 -9.383 11.982 1.00 0.00 C ATOM 0 H MET A 78 1.193 -8.900 7.291 1.00 0.00 H new ATOM 0 HA MET A 78 2.897 -11.253 7.705 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.127 -10.727 8.820 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.354 -11.812 9.444 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.756 -9.561 9.683 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.166 -8.825 9.672 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.340 -9.551 13.026 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.001 -8.312 11.795 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.846 -9.811 11.340 1.00 0.00 H new ATOM 1197 N THR A 79 1.555 -13.003 6.517 1.00 0.00 N ATOM 1198 CA THR A 79 0.908 -13.960 5.629 1.00 0.00 C ATOM 1199 C THR A 79 0.392 -15.167 6.404 1.00 0.00 C ATOM 1200 O THR A 79 1.099 -15.726 7.242 1.00 0.00 O ATOM 1201 CB THR A 79 1.870 -14.444 4.527 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.150 -14.747 5.094 1.00 0.00 O ATOM 1203 CG2 THR A 79 2.026 -13.389 3.443 1.00 0.00 C ATOM 0 H THR A 79 2.355 -13.376 7.028 1.00 0.00 H new ATOM 0 HA THR A 79 0.068 -13.443 5.165 1.00 0.00 H new ATOM 0 HB THR A 79 1.450 -15.344 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.756 -15.056 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.710 -13.753 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.054 -13.182 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.426 -12.474 3.880 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.843 -15.564 6.118 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.452 -16.707 6.786 1.00 0.00 C ATOM 1213 C ALA A 80 -2.345 -17.491 5.830 1.00 0.00 C ATOM 1214 O ALA A 80 -3.328 -16.963 5.312 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.249 -16.247 7.998 1.00 0.00 C ATOM 0 H ALA A 80 -1.442 -15.111 5.428 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.653 -17.369 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.698 -17.111 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.586 -15.738 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.034 -15.562 7.678 1.00 0.00 H new ATOM 1221 N GLU A 81 -1.994 -18.753 5.600 1.00 0.00 N ATOM 1222 CA GLU A 81 -2.764 -19.608 4.705 1.00 0.00 C ATOM 1223 C GLU A 81 -2.634 -19.138 3.259 1.00 0.00 C ATOM 1224 O GLU A 81 -3.508 -19.392 2.431 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.238 -19.621 5.117 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.448 -19.657 6.622 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.055 -20.988 7.234 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -4.163 -22.018 6.536 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -3.639 -20.999 8.411 1.00 0.00 O ATOM 0 H GLU A 81 -1.182 -19.205 6.021 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.365 -20.620 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.728 -18.736 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.724 -20.488 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.864 -18.862 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.496 -19.454 6.844 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.535 -18.450 2.963 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.310 -17.954 1.617 1.00 0.00 C ATOM 1238 C GLY A 82 -1.830 -16.543 1.424 1.00 0.00 C ATOM 1239 O GLY A 82 -1.501 -15.882 0.439 1.00 0.00 O ATOM 0 H GLY A 82 -0.797 -18.227 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.242 -17.977 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.796 -18.618 0.902 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.644 -16.081 2.366 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.213 -14.739 2.295 1.00 0.00 C ATOM 1245 C LEU A 83 -2.196 -13.693 2.741 1.00 0.00 C ATOM 1246 O LEU A 83 -1.293 -13.985 3.526 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.469 -14.649 3.164 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.610 -15.597 2.793 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.398 -15.993 4.032 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.524 -14.952 1.761 1.00 0.00 C ATOM 0 H LEU A 83 -2.925 -16.615 3.188 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.482 -14.539 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.185 -14.841 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.844 -13.626 3.121 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.181 -16.499 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.206 -16.668 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.737 -16.495 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.817 -15.101 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.330 -15.640 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.945 -14.034 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.952 -14.719 0.863 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.350 -12.474 2.237 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.445 -11.384 2.584 1.00 0.00 C ATOM 1264 C TYR A 84 -2.177 -10.295 3.363 1.00 0.00 C ATOM 1265 O TYR A 84 -3.200 -9.776 2.914 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.821 -10.790 1.320 1.00 0.00 C ATOM 1267 CG TYR A 84 0.068 -11.758 0.572 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.475 -12.726 -0.264 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.450 -11.704 0.701 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.333 -13.613 -0.949 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.266 -12.585 0.018 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.703 -13.538 -0.805 1.00 0.00 C ATOM 1273 OH TYR A 84 2.513 -14.419 -1.485 1.00 0.00 O ATOM 0 H TYR A 84 -3.092 -12.215 1.587 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.655 -11.789 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.617 -10.453 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.238 -9.910 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.547 -12.786 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.894 -10.961 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.105 -14.361 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.339 -12.528 0.128 1.00 0.00 H new ATOM 0 HH TYR A 84 3.451 -14.230 -1.274 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.645 -9.954 4.531 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.246 -8.927 5.374 1.00 0.00 C ATOM 1285 C ARG A 85 -1.246 -8.418 6.408 1.00 0.00 C ATOM 1286 O ARG A 85 -0.531 -9.202 7.033 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.488 -9.478 6.078 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.300 -10.880 6.635 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.371 -11.220 7.660 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.114 -12.499 8.317 1.00 0.00 N ATOM 1291 CZ ARG A 85 -3.178 -12.674 9.243 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -2.415 -11.657 9.620 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -3.004 -13.868 9.795 1.00 0.00 N ATOM 0 H ARG A 85 -0.799 -10.374 4.916 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.538 -8.093 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.762 -8.807 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.321 -9.484 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.331 -11.604 5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.315 -10.961 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.419 -10.430 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.344 -11.253 7.170 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.684 -13.301 8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.546 -10.737 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.697 -11.794 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.589 -14.653 9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.285 -14.001 10.506 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.202 -7.101 6.582 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.290 -6.488 7.540 1.00 0.00 C ATOM 1309 C ILE A 86 -0.866 -6.530 8.951 1.00 0.00 C ATOM 1310 O ILE A 86 -0.154 -6.310 9.932 1.00 0.00 O ATOM 1311 CB ILE A 86 0.018 -5.026 7.167 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.236 -4.163 7.316 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.559 -4.945 5.747 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.942 -2.731 7.704 1.00 0.00 C ATOM 0 H ILE A 86 -1.787 -6.439 6.072 1.00 0.00 H new ATOM 0 HA ILE A 86 0.634 -7.065 7.510 1.00 0.00 H new ATOM 0 HB ILE A 86 0.780 -4.645 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.786 -4.170 6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.886 -4.609 8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.772 -3.906 5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.475 -5.531 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.182 -5.340 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.877 -2.178 7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.419 -2.713 8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.317 -2.268 6.940 1.00 0.00 H new ATOM 1326 N THR A 87 -2.161 -6.816 9.048 1.00 0.00 N ATOM 1327 CA THR A 87 -2.833 -6.888 10.339 1.00 0.00 C ATOM 1328 C THR A 87 -3.831 -8.040 10.376 1.00 0.00 C ATOM 1329 O THR A 87 -4.434 -8.383 9.359 1.00 0.00 O ATOM 1330 CB THR A 87 -3.570 -5.575 10.663 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.252 -5.692 11.916 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.567 -5.229 9.567 1.00 0.00 C ATOM 0 H THR A 87 -2.765 -7.002 8.247 1.00 0.00 H new ATOM 0 HA THR A 87 -2.060 -7.056 11.089 1.00 0.00 H new ATOM 0 HB THR A 87 -2.831 -4.776 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.581 -4.811 12.193 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.075 -4.298 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.040 -5.111 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.301 -6.030 9.477 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.002 -8.632 11.554 1.00 0.00 N ATOM 1341 CA GLU A 88 -4.928 -9.745 11.721 1.00 0.00 C ATOM 1342 C GLU A 88 -6.369 -9.249 11.790 1.00 0.00 C ATOM 1343 O GLU A 88 -7.137 -9.653 12.663 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.588 -10.535 12.987 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.710 -9.719 14.263 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.740 -10.585 15.508 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -4.118 -11.668 15.491 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -5.384 -10.180 16.498 1.00 0.00 O ATOM 0 H GLU A 88 -3.512 -8.359 12.406 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.828 -10.399 10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.248 -11.400 13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.570 -10.916 12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.872 -9.025 14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.619 -9.118 14.221 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.730 -8.368 10.862 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.078 -7.815 10.815 1.00 0.00 C ATOM 1357 C LYS A 89 -8.819 -8.294 9.570 1.00 0.00 C ATOM 1358 O LYS A 89 -9.993 -8.661 9.636 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.026 -6.286 10.834 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.645 -5.707 12.186 1.00 0.00 C ATOM 1361 CD LYS A 89 -8.077 -4.256 12.312 1.00 0.00 C ATOM 1362 CE LYS A 89 -7.881 -3.738 13.729 1.00 0.00 C ATOM 1363 NZ LYS A 89 -9.023 -4.098 14.614 1.00 0.00 N ATOM 0 H LYS A 89 -6.107 -8.022 10.132 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.618 -8.164 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.308 -5.946 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.000 -5.894 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.107 -6.296 12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.566 -5.780 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.504 -3.643 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.126 -4.162 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.959 -4.148 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.766 -2.654 13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.851 -3.727 15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.899 -3.686 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.117 -5.133 14.656 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.127 -8.288 8.436 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.717 -8.723 7.176 1.00 0.00 C ATOM 1379 C LYS A 90 -7.642 -9.215 6.213 1.00 0.00 C ATOM 1380 O LYS A 90 -6.728 -8.471 5.857 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.507 -7.579 6.537 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.714 -8.043 5.740 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.343 -8.364 4.302 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.530 -8.186 3.368 1.00 0.00 C ATOM 1385 NZ LYS A 90 -11.331 -8.899 2.076 1.00 0.00 N ATOM 0 H LYS A 90 -7.155 -7.986 8.364 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.395 -9.550 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.839 -6.897 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.845 -7.013 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.145 -8.926 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.481 -7.268 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.527 -7.716 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.980 -9.390 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.433 -8.558 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.686 -7.124 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.195 -8.824 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.535 -8.470 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.124 -9.901 2.261 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.759 -10.470 5.793 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.798 -11.059 4.868 1.00 0.00 C ATOM 1401 C ALA A 91 -7.337 -11.053 3.441 1.00 0.00 C ATOM 1402 O ALA A 91 -8.545 -11.143 3.222 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.452 -12.476 5.298 1.00 0.00 C ATOM 0 H ALA A 91 -8.510 -11.099 6.078 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.892 -10.454 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.734 -12.903 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.018 -12.457 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.356 -13.085 5.307 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.433 -10.946 2.473 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.817 -10.927 1.066 1.00 0.00 C ATOM 1411 C PHE A 92 -6.090 -12.021 0.289 1.00 0.00 C ATOM 1412 O PHE A 92 -5.132 -12.615 0.782 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.512 -9.560 0.451 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.168 -8.418 1.174 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.759 -8.062 2.449 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.191 -7.699 0.577 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.361 -7.012 3.117 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.796 -6.648 1.240 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.380 -6.303 2.511 1.00 0.00 C ATOM 0 H PHE A 92 -5.429 -10.871 2.637 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.889 -11.114 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.433 -9.405 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.839 -9.557 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.961 -8.611 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.519 -7.963 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.035 -6.746 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.594 -6.097 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.850 -5.481 3.030 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.554 -12.280 -0.929 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.951 -13.303 -1.774 1.00 0.00 C ATOM 1431 C ARG A 93 -4.482 -12.988 -2.044 1.00 0.00 C ATOM 1432 O ARG A 93 -3.619 -13.857 -1.928 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.710 -13.415 -3.097 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.195 -13.693 -2.926 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.483 -15.186 -2.900 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.654 -15.733 -4.243 1.00 0.00 N ATOM 1437 CZ ARG A 93 -9.796 -15.680 -4.919 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.863 -15.107 -4.380 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -9.872 -16.201 -6.137 1.00 0.00 N ATOM 0 H ARG A 93 -7.345 -11.796 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.011 -14.255 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.585 -12.489 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.266 -14.212 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.547 -13.237 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.749 -13.229 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.666 -15.704 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.384 -15.371 -2.315 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.852 -16.181 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.808 -14.705 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.739 -15.068 -4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.053 -16.643 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.749 -16.160 -6.655 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.206 -11.739 -2.405 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.842 -11.332 -2.687 1.00 0.00 C ATOM 1455 C GLY A 94 -2.614 -9.855 -2.432 1.00 0.00 C ATOM 1456 O GLY A 94 -3.531 -9.137 -2.030 1.00 0.00 O ATOM 0 H GLY A 94 -4.903 -11.001 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.157 -11.914 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.606 -11.559 -3.727 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.388 -9.399 -2.664 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.040 -7.998 -2.455 1.00 0.00 C ATOM 1462 C LEU A 95 -2.009 -7.081 -3.195 1.00 0.00 C ATOM 1463 O LEU A 95 -2.721 -6.285 -2.581 1.00 0.00 O ATOM 1464 CB LEU A 95 0.391 -7.731 -2.924 1.00 0.00 C ATOM 1465 CG LEU A 95 1.492 -7.972 -1.890 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.593 -6.794 -0.934 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.232 -9.262 -1.125 1.00 0.00 C ATOM 0 H LEU A 95 -0.618 -9.979 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.111 -7.787 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.591 -8.360 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.455 -6.696 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 95 2.442 -8.070 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.381 -6.983 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.827 -5.889 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.643 -6.664 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.025 -9.418 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.273 -9.193 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.211 -10.100 -1.822 1.00 0.00 H new ATOM 1479 N THR A 96 -2.033 -7.198 -4.519 1.00 0.00 N ATOM 1480 CA THR A 96 -2.915 -6.382 -5.343 1.00 0.00 C ATOM 1481 C THR A 96 -4.214 -6.066 -4.612 1.00 0.00 C ATOM 1482 O THR A 96 -4.687 -4.930 -4.631 1.00 0.00 O ATOM 1483 CB THR A 96 -3.245 -7.080 -6.676 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.050 -7.613 -7.259 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.900 -6.110 -7.647 1.00 0.00 C ATOM 0 H THR A 96 -1.451 -7.851 -5.044 1.00 0.00 H new ATOM 0 HA THR A 96 -2.383 -5.453 -5.550 1.00 0.00 H new ATOM 0 HB THR A 96 -3.943 -7.892 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.362 -6.916 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.124 -6.626 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.824 -5.729 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.222 -5.279 -7.844 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.787 -7.079 -3.969 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.034 -6.908 -3.232 1.00 0.00 C ATOM 1495 C GLU A 97 -5.789 -6.188 -1.909 1.00 0.00 C ATOM 1496 O GLU A 97 -6.361 -5.128 -1.651 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.689 -8.266 -2.973 1.00 0.00 C ATOM 1498 CG GLU A 97 -6.818 -9.127 -4.217 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.035 -10.031 -4.178 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.374 -10.521 -3.080 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -8.648 -10.249 -5.244 1.00 0.00 O ATOM 0 H GLU A 97 -4.408 -8.026 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.705 -6.299 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.105 -8.805 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.680 -8.107 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.876 -8.484 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.921 -9.736 -4.327 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.936 -6.771 -1.074 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.614 -6.186 0.223 1.00 0.00 C ATOM 1510 C LEU A 98 -4.385 -4.683 0.101 1.00 0.00 C ATOM 1511 O LEU A 98 -4.932 -3.896 0.874 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.373 -6.857 0.813 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.943 -6.373 2.199 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.929 -5.246 2.080 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.152 -5.923 3.005 1.00 0.00 C ATOM 0 H LEU A 98 -4.455 -7.648 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.460 -6.352 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.555 -7.930 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.542 -6.708 0.124 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.471 -7.204 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.635 -4.915 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.051 -5.602 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.374 -4.412 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.827 -5.582 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.653 -5.106 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.843 -6.758 3.121 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.574 -4.291 -0.876 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.275 -2.882 -1.102 1.00 0.00 C ATOM 1529 C VAL A 99 -4.524 -2.115 -1.521 1.00 0.00 C ATOM 1530 O VAL A 99 -4.791 -1.024 -1.019 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.191 -2.704 -2.181 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.860 -1.231 -2.370 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.944 -3.496 -1.819 1.00 0.00 C ATOM 0 H VAL A 99 -3.112 -4.929 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.906 -2.482 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.577 -3.088 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.092 -1.126 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.757 -0.693 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.494 -0.817 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.188 -3.359 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.554 -3.144 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.195 -4.554 -1.741 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.286 -2.694 -2.443 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.508 -2.064 -2.930 1.00 0.00 C ATOM 1545 C GLU A 100 -7.386 -1.611 -1.767 1.00 0.00 C ATOM 1546 O GLU A 100 -7.920 -0.502 -1.773 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.285 -3.031 -3.825 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.953 -2.894 -5.301 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.131 -3.224 -6.197 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -9.144 -2.497 -6.137 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.038 -4.209 -6.959 1.00 0.00 O ATOM 0 H GLU A 100 -5.079 -3.598 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.227 -1.187 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.077 -4.053 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.353 -2.864 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.623 -1.875 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.120 -3.553 -5.545 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.532 -2.479 -0.771 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.347 -2.170 0.398 1.00 0.00 C ATOM 1560 C PHE A 101 -7.787 -0.966 1.149 1.00 0.00 C ATOM 1561 O PHE A 101 -8.517 -0.030 1.476 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.417 -3.381 1.332 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.474 -3.261 2.392 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.797 -3.559 2.106 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.146 -2.849 3.673 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.772 -3.450 3.080 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.117 -2.738 4.650 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.432 -3.038 4.353 1.00 0.00 C ATOM 0 H PHE A 101 -7.097 -3.401 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.352 -1.926 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.608 -4.276 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.447 -3.517 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.069 -3.880 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.120 -2.612 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.799 -3.687 2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.848 -2.417 5.645 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.193 -2.950 5.115 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.487 -0.998 1.420 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.829 0.089 2.135 1.00 0.00 C ATOM 1580 C TYR A 102 -5.847 1.373 1.311 1.00 0.00 C ATOM 1581 O TYR A 102 -5.744 2.473 1.854 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.386 -0.293 2.471 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.271 -1.273 3.616 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.057 -1.138 4.754 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.376 -2.335 3.561 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -4.955 -2.031 5.803 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.268 -3.233 4.605 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.059 -3.077 5.724 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.954 -3.969 6.766 1.00 0.00 O ATOM 0 H TYR A 102 -5.868 -1.765 1.155 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.377 0.264 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.918 -0.724 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.828 0.610 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.760 -0.321 4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.754 -2.460 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.573 -1.911 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.568 -4.053 4.545 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.581 -4.709 6.627 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.981 1.224 -0.003 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.013 2.371 -0.902 1.00 0.00 C ATOM 1601 C GLN A 103 -7.290 3.182 -0.704 1.00 0.00 C ATOM 1602 O GLN A 103 -7.413 4.296 -1.214 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.909 1.909 -2.357 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.500 1.517 -2.771 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.460 0.825 -4.120 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.497 0.586 -4.739 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.258 0.501 -4.583 1.00 0.00 N ATOM 0 H GLN A 103 -6.069 0.321 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.160 3.008 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.573 1.058 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.262 2.708 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.874 2.409 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.074 0.857 -2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.425 0.718 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.168 0.035 -5.486 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.235 2.616 0.038 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.503 3.287 0.302 1.00 0.00 C ATOM 1618 C GLN A 104 -9.682 3.545 1.794 1.00 0.00 C ATOM 1619 O GLN A 104 -10.470 4.400 2.196 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.668 2.448 -0.226 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.386 0.955 -0.238 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.332 0.189 -1.142 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.495 0.563 -1.301 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -10.839 -0.889 -1.739 1.00 0.00 N ATOM 0 H GLN A 104 -8.148 1.695 0.467 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.492 4.246 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.549 2.638 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.909 2.772 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.360 0.786 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.465 0.566 0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.869 -1.162 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.430 -1.444 -2.358 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.944 2.800 2.611 1.00 0.00 N ATOM 1634 CA ASN A 105 -9.023 2.948 4.060 1.00 0.00 C ATOM 1635 C ASN A 105 -7.648 3.247 4.651 1.00 0.00 C ATOM 1636 O ASN A 105 -6.630 2.761 4.159 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.597 1.679 4.693 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.941 1.296 4.102 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.991 1.627 4.653 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.913 0.594 2.975 1.00 0.00 N ATOM 0 H ASN A 105 -8.285 2.088 2.295 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.684 3.786 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.895 0.857 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.705 1.829 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.785 0.307 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.019 0.342 2.553 1.00 0.00 H new ATOM 1647 N SER A 106 -7.628 4.049 5.711 1.00 0.00 N ATOM 1648 CA SER A 106 -6.379 4.416 6.368 1.00 0.00 C ATOM 1649 C SER A 106 -5.674 3.182 6.923 1.00 0.00 C ATOM 1650 O SER A 106 -6.320 2.220 7.343 1.00 0.00 O ATOM 1651 CB SER A 106 -6.645 5.415 7.495 1.00 0.00 C ATOM 1652 OG SER A 106 -5.438 5.997 7.957 1.00 0.00 O ATOM 0 H SER A 106 -8.462 4.457 6.133 1.00 0.00 H new ATOM 0 HA SER A 106 -5.730 4.881 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.317 6.197 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.149 4.911 8.320 1.00 0.00 H new ATOM 0 HG SER A 106 -5.577 6.371 8.852 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.346 3.216 6.922 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.552 2.100 7.425 1.00 0.00 C ATOM 1660 C LEU A 107 -3.529 2.092 8.950 1.00 0.00 C ATOM 1661 O LEU A 107 -3.104 1.117 9.571 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.124 2.180 6.883 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.915 1.653 5.463 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.712 0.146 5.477 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.094 2.026 4.576 1.00 0.00 C ATOM 0 H LEU A 107 -3.796 4.004 6.579 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.013 1.174 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.803 3.221 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.470 1.625 7.555 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.017 2.116 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.565 -0.211 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.835 -0.097 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.590 -0.335 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.928 1.643 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.007 1.592 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.193 3.111 4.539 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.991 3.185 9.549 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.028 3.304 11.002 1.00 0.00 C ATOM 1679 C LYS A 108 -4.501 2.003 11.643 1.00 0.00 C ATOM 1680 O LYS A 108 -4.048 1.632 12.726 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.948 4.453 11.417 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.426 4.111 11.333 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.278 5.134 12.064 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.749 4.993 11.705 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.406 3.899 12.473 1.00 0.00 N ATOM 0 H LYS A 108 -4.345 4.001 9.050 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.016 3.513 11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.709 4.747 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.747 5.316 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.730 4.063 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.596 3.123 11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.152 5.012 13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.936 6.139 11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.263 5.934 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.845 4.795 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.407 3.836 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.933 2.997 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.337 4.100 13.491 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.413 1.313 10.966 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.946 0.052 11.469 1.00 0.00 C ATOM 1701 C ASP A 109 -4.854 -0.766 12.151 1.00 0.00 C ATOM 1702 O ASP A 109 -5.096 -1.419 13.166 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.567 -0.754 10.327 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.750 -0.048 9.696 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.354 0.814 10.368 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.073 -0.357 8.530 1.00 0.00 O ATOM 0 H ASP A 109 -5.798 1.606 10.068 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.717 0.279 12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.810 -0.941 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.886 -1.726 10.704 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.652 -0.726 11.586 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.522 -1.465 12.139 1.00 0.00 C ATOM 1713 C CYS A 110 -1.598 -0.539 12.923 1.00 0.00 C ATOM 1714 O CYS A 110 -0.976 -0.950 13.902 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.742 -2.156 11.020 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.686 -3.511 11.584 1.00 0.00 S ATOM 0 H CYS A 110 -3.435 -0.190 10.746 1.00 0.00 H new ATOM 0 HA CYS A 110 -2.912 -2.221 12.821 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.448 -2.542 10.284 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.124 -1.416 10.512 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.678 -4.456 10.691 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.512 0.713 12.485 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.662 1.697 13.144 1.00 0.00 C ATOM 1724 C PHE A 111 -1.428 2.990 13.405 1.00 0.00 C ATOM 1725 O PHE A 111 -1.308 3.958 12.653 1.00 0.00 O ATOM 1726 CB PHE A 111 0.575 1.986 12.292 1.00 0.00 C ATOM 1727 CG PHE A 111 1.408 0.768 12.010 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.338 0.320 12.934 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.259 0.070 10.822 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.106 -0.801 12.677 1.00 0.00 C ATOM 1731 CE2 PHE A 111 2.023 -1.051 10.560 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.947 -1.488 11.489 1.00 0.00 C ATOM 0 H PHE A 111 -2.021 1.070 11.676 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.346 1.284 14.102 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.260 2.427 11.347 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.191 2.728 12.800 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.465 0.852 13.865 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.537 0.406 10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.829 -1.139 13.404 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.898 -1.585 9.630 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.544 -2.365 11.287 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.216 2.999 14.474 1.00 0.00 N ATOM 1743 CA LYS A 112 -3.002 4.172 14.836 1.00 0.00 C ATOM 1744 C LYS A 112 -2.190 5.450 14.652 1.00 0.00 C ATOM 1745 O LYS A 112 -2.734 6.499 14.306 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.480 4.064 16.286 1.00 0.00 C ATOM 1747 CG LYS A 112 -2.380 4.297 17.308 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.555 3.042 17.535 1.00 0.00 C ATOM 1749 CE LYS A 112 -0.319 3.331 18.373 1.00 0.00 C ATOM 1750 NZ LYS A 112 -0.671 3.681 19.777 1.00 0.00 N ATOM 0 H LYS A 112 -2.327 2.206 15.106 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.868 4.215 14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.278 4.788 16.452 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.909 3.075 16.446 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.731 5.104 16.968 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.821 4.619 18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.166 2.289 18.033 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.255 2.624 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.335 2.459 18.369 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.241 4.151 17.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.198 3.871 20.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.274 4.528 19.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.183 2.889 20.214 1.00 0.00 H new ATOM 1764 N SER A 113 -0.884 5.354 14.883 1.00 0.00 N ATOM 1765 CA SER A 113 0.003 6.503 14.745 1.00 0.00 C ATOM 1766 C SER A 113 0.155 6.899 13.279 1.00 0.00 C ATOM 1767 O SER A 113 0.212 8.083 12.946 1.00 0.00 O ATOM 1768 CB SER A 113 1.375 6.191 15.345 1.00 0.00 C ATOM 1769 OG SER A 113 2.233 7.316 15.270 1.00 0.00 O ATOM 0 H SER A 113 -0.417 4.492 15.166 1.00 0.00 H new ATOM 0 HA SER A 113 -0.440 7.339 15.286 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.260 5.887 16.385 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.824 5.351 14.815 1.00 0.00 H new ATOM 0 HG SER A 113 3.103 7.091 15.661 1.00 0.00 H new ATOM 1775 N LEU A 114 0.220 5.899 12.407 1.00 0.00 N ATOM 1776 CA LEU A 114 0.365 6.140 10.976 1.00 0.00 C ATOM 1777 C LEU A 114 -0.989 6.092 10.275 1.00 0.00 C ATOM 1778 O LEU A 114 -1.480 5.018 9.925 1.00 0.00 O ATOM 1779 CB LEU A 114 1.309 5.107 10.358 1.00 0.00 C ATOM 1780 CG LEU A 114 1.500 5.194 8.843 1.00 0.00 C ATOM 1781 CD1 LEU A 114 1.904 6.602 8.436 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.539 4.184 8.378 1.00 0.00 C ATOM 0 H LEU A 114 0.175 4.913 12.666 1.00 0.00 H new ATOM 0 HA LEU A 114 0.787 7.136 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.285 5.206 10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.936 4.112 10.601 1.00 0.00 H new ATOM 0 HG LEU A 114 0.551 4.957 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.035 6.645 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.126 7.305 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.841 6.868 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.662 4.260 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.491 4.390 8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.209 3.178 8.636 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.585 7.261 10.072 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.882 7.353 9.409 1.00 0.00 C ATOM 1796 C ASP A 115 -2.718 7.772 7.952 1.00 0.00 C ATOM 1797 O ASP A 115 -3.045 8.899 7.578 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.783 8.348 10.142 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.747 8.163 11.646 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -2.729 8.534 12.266 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.739 7.648 12.203 1.00 0.00 O ATOM 0 H ASP A 115 -1.192 8.158 10.356 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.347 6.368 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.473 9.364 9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.808 8.234 9.789 1.00 0.00 H new ATOM 1806 N THR A 116 -2.209 6.858 7.131 1.00 0.00 N ATOM 1807 CA THR A 116 -2.001 7.133 5.716 1.00 0.00 C ATOM 1808 C THR A 116 -2.680 6.082 4.845 1.00 0.00 C ATOM 1809 O THR A 116 -3.315 5.157 5.352 1.00 0.00 O ATOM 1810 CB THR A 116 -0.501 7.180 5.368 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.319 7.730 4.058 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.113 5.790 5.429 1.00 0.00 C ATOM 0 H THR A 116 -1.933 5.920 7.423 1.00 0.00 H new ATOM 0 HA THR A 116 -2.445 8.108 5.515 1.00 0.00 H new ATOM 0 HB THR A 116 -0.001 7.813 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.239 8.705 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.172 5.849 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.001 5.386 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.392 5.138 4.716 1.00 0.00 H new ATOM 1820 N THR A 117 -2.542 6.230 3.531 1.00 0.00 N ATOM 1821 CA THR A 117 -3.143 5.294 2.590 1.00 0.00 C ATOM 1822 C THR A 117 -2.297 5.163 1.328 1.00 0.00 C ATOM 1823 O THR A 117 -1.590 6.096 0.943 1.00 0.00 O ATOM 1824 CB THR A 117 -4.567 5.729 2.196 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.597 7.138 1.942 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.561 5.386 3.296 1.00 0.00 C ATOM 0 H THR A 117 -2.019 6.989 3.095 1.00 0.00 H new ATOM 0 HA THR A 117 -3.192 4.329 3.093 1.00 0.00 H new ATOM 0 HB THR A 117 -4.850 5.191 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.506 7.406 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.560 5.703 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.558 4.309 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.279 5.900 4.215 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.374 4.002 0.688 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.615 3.750 -0.532 1.00 0.00 C ATOM 1836 C LEU A 118 -2.028 4.714 -1.640 1.00 0.00 C ATOM 1837 O LEU A 118 -3.010 4.482 -2.343 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.821 2.306 -0.995 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.300 1.219 -0.055 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.191 1.395 0.189 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.064 1.241 1.261 1.00 0.00 C ATOM 0 H LEU A 118 -2.954 3.220 0.993 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.559 3.909 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.888 2.144 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.336 2.184 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.458 0.250 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.545 0.612 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.725 1.329 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.373 2.370 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.680 0.461 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.937 2.212 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.123 1.066 1.070 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.269 5.796 -1.789 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.556 6.794 -2.811 1.00 0.00 C ATOM 1855 C GLN A 119 -1.135 6.297 -4.191 1.00 0.00 C ATOM 1856 O GLN A 119 -1.977 5.957 -5.022 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.839 8.106 -2.489 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.990 8.542 -1.040 1.00 0.00 C ATOM 1859 CD GLN A 119 -1.014 10.050 -0.884 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.666 10.787 -1.807 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.426 10.517 0.289 1.00 0.00 N ATOM 0 H GLN A 119 -0.452 6.003 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.632 6.969 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.221 7.997 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.227 8.891 -3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.910 8.124 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.167 8.133 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.705 9.870 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.463 11.523 0.453 1.00 0.00 H new ATOM 1870 N PHE A 120 0.172 6.258 -4.427 1.00 0.00 N ATOM 1871 CA PHE A 120 0.704 5.804 -5.706 1.00 0.00 C ATOM 1872 C PHE A 120 2.006 5.032 -5.510 1.00 0.00 C ATOM 1873 O PHE A 120 2.738 5.235 -4.541 1.00 0.00 O ATOM 1874 CB PHE A 120 0.940 6.996 -6.637 1.00 0.00 C ATOM 1875 CG PHE A 120 0.040 8.164 -6.353 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.308 8.110 -6.668 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.543 9.317 -5.772 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.139 9.184 -6.408 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.283 10.394 -5.509 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.625 10.328 -5.829 1.00 0.00 C ATOM 0 H PHE A 120 0.882 6.535 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.029 5.137 -6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.978 7.317 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.793 6.676 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.715 7.218 -7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.592 9.375 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.188 9.129 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.121 11.286 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.271 11.169 -5.627 1.00 0.00 H new ATOM 1890 N PRO A 121 2.302 4.124 -6.452 1.00 0.00 N ATOM 1891 CA PRO A 121 3.516 3.303 -6.406 1.00 0.00 C ATOM 1892 C PRO A 121 4.778 4.121 -6.658 1.00 0.00 C ATOM 1893 O PRO A 121 4.715 5.237 -7.173 1.00 0.00 O ATOM 1894 CB PRO A 121 3.302 2.290 -7.533 1.00 0.00 C ATOM 1895 CG PRO A 121 2.372 2.967 -8.480 1.00 0.00 C ATOM 1896 CD PRO A 121 1.476 3.830 -7.634 1.00 0.00 C ATOM 0 HA PRO A 121 3.663 2.847 -5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.244 2.033 -8.018 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.875 1.361 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.922 3.568 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.791 2.238 -9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.185 4.741 -8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.557 3.310 -7.363 1.00 0.00 H new ATOM 1904 N PHE A 122 5.925 3.558 -6.291 1.00 0.00 N ATOM 1905 CA PHE A 122 7.203 4.235 -6.476 1.00 0.00 C ATOM 1906 C PHE A 122 7.633 4.193 -7.940 1.00 0.00 C ATOM 1907 O PHE A 122 8.224 5.144 -8.453 1.00 0.00 O ATOM 1908 CB PHE A 122 8.278 3.591 -5.599 1.00 0.00 C ATOM 1909 CG PHE A 122 8.914 2.381 -6.221 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.302 1.140 -6.139 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.124 2.483 -6.889 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.885 0.025 -6.710 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.712 1.372 -7.462 1.00 0.00 C ATOM 1914 CZ PHE A 122 10.091 0.141 -7.374 1.00 0.00 C ATOM 0 H PHE A 122 5.995 2.634 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 122 7.080 5.277 -6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.051 4.329 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.835 3.308 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.358 1.043 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.613 3.443 -6.963 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.398 -0.936 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.656 1.466 -7.978 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.547 -0.729 -7.823 1.00 0.00 H new ATOM 1924 N LYS A 123 7.332 3.084 -8.607 1.00 0.00 N ATOM 1925 CA LYS A 123 7.686 2.917 -10.012 1.00 0.00 C ATOM 1926 C LYS A 123 6.841 3.826 -10.898 1.00 0.00 C ATOM 1927 O LYS A 123 7.235 4.160 -12.015 1.00 0.00 O ATOM 1928 CB LYS A 123 7.500 1.458 -10.435 1.00 0.00 C ATOM 1929 CG LYS A 123 8.685 0.570 -10.097 1.00 0.00 C ATOM 1930 CD LYS A 123 8.841 -0.559 -11.102 1.00 0.00 C ATOM 1931 CE LYS A 123 8.128 -1.820 -10.638 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.680 -3.041 -11.288 1.00 0.00 N ATOM 0 H LYS A 123 6.844 2.288 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 123 8.733 3.194 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.608 1.059 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.323 1.420 -11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.596 1.169 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.555 0.154 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.440 -0.247 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.900 -0.772 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.220 -1.912 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.064 -1.739 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.167 -3.879 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.569 -2.965 -12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.689 -3.133 -11.054 1.00 0.00 H new ATOM 1946 N GLU A 124 5.678 4.223 -10.392 1.00 0.00 N ATOM 1947 CA GLU A 124 4.778 5.095 -11.139 1.00 0.00 C ATOM 1948 C GLU A 124 5.564 6.058 -12.023 1.00 0.00 C ATOM 1949 O GLU A 124 6.533 6.685 -11.594 1.00 0.00 O ATOM 1950 CB GLU A 124 3.881 5.881 -10.180 1.00 0.00 C ATOM 1951 CG GLU A 124 2.470 6.092 -10.702 1.00 0.00 C ATOM 1952 CD GLU A 124 2.327 7.374 -11.498 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.649 8.450 -10.954 1.00 0.00 O ATOM 1954 OE2 GLU A 124 1.894 7.300 -12.667 1.00 0.00 O ATOM 0 H GLU A 124 5.337 3.955 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 124 4.154 4.470 -11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.832 5.354 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.336 6.852 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.189 5.246 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.775 6.111 -9.862 1.00 0.00 H new ATOM 1961 N PRO A 125 5.138 6.180 -13.289 1.00 0.00 N ATOM 1962 CA PRO A 125 5.787 7.065 -14.261 1.00 0.00 C ATOM 1963 C PRO A 125 5.565 8.539 -13.941 1.00 0.00 C ATOM 1964 O PRO A 125 4.987 8.879 -12.910 1.00 0.00 O ATOM 1965 CB PRO A 125 5.109 6.697 -15.584 1.00 0.00 C ATOM 1966 CG PRO A 125 3.780 6.152 -15.189 1.00 0.00 C ATOM 1967 CD PRO A 125 3.989 5.464 -13.869 1.00 0.00 C ATOM 0 HA PRO A 125 6.869 6.936 -14.270 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.003 7.568 -16.231 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.692 5.959 -16.136 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.042 6.949 -15.101 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.407 5.454 -15.938 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.107 5.538 -13.233 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.201 4.403 -13.998 1.00 0.00 H new