USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 56 MET CE :methyl -159:sc= -2.94 (180deg=-4.6!) USER MOD Set 1.2: A 64 MET CE :methyl -151:sc= -0.451 (180deg=-2.05!) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.154 K(o=-1.5,f=-5.5!) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.69 X(o=-1.5,f=-2!) USER MOD Set 3.1: A 43 TYR OH : rot -155:sc= 0.833 USER MOD Set 3.2: A 84 HIS :FLIP no HD1:sc= 0.0206 F(o=-0.97,f=0.85) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 31 HIS : no HD1:sc= -3.1! X(o=-3.1!,f=-3.1) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -0.0296 (180deg=-0.706) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -89:sc= 0.798 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -35:sc= -2.35! USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 0.178 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.45) USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= -0.0711 (180deg=-1.01) USER MOD Single : A 73 THR OG1 : rot 40:sc= -2.38 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.4!) USER MOD Single : A 78 THR OG1 : rot 87:sc= -0.0715 USER MOD Single : A 83 SER OG : rot 97:sc= 0.806 USER MOD Single : A 86 SER OG : rot -93:sc= 0.72 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 4.987 13.881 23.027 1.00 0.00 N ATOM 266 CA VAL A 20 4.828 13.078 24.233 1.00 0.00 C ATOM 267 C VAL A 20 6.047 13.201 25.140 1.00 0.00 C ATOM 268 O VAL A 20 7.161 13.475 24.692 1.00 0.00 O ATOM 269 CB VAL A 20 4.604 11.593 23.892 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.282 11.406 23.163 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.760 11.056 23.063 1.00 0.00 C ATOM 0 HA VAL A 20 3.951 13.460 24.755 1.00 0.00 H new ATOM 0 HB VAL A 20 4.561 11.027 24.823 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.141 10.351 22.930 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.465 11.750 23.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.291 11.983 22.238 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.585 10.005 22.831 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.837 11.624 22.136 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.688 11.153 23.627 1.00 0.00 H new ATOM 281 N PRO A 21 5.834 12.995 26.448 1.00 0.00 N ATOM 282 CA PRO A 21 6.904 13.077 27.447 1.00 0.00 C ATOM 283 C PRO A 21 7.898 11.926 27.327 1.00 0.00 C ATOM 284 O PRO A 21 7.740 11.042 26.486 1.00 0.00 O ATOM 285 CB PRO A 21 6.154 12.998 28.778 1.00 0.00 C ATOM 286 CG PRO A 21 4.892 12.273 28.460 1.00 0.00 C ATOM 287 CD PRO A 21 4.533 12.665 27.053 1.00 0.00 C ATOM 0 HA PRO A 21 7.501 13.982 27.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.737 12.466 29.530 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.950 13.992 29.177 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.030 11.195 28.542 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.099 12.546 29.156 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.038 11.851 26.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.853 13.517 27.034 1.00 0.00 H new ATOM 295 N ALA A 22 8.923 11.945 28.173 1.00 0.00 N ATOM 296 CA ALA A 22 9.941 10.902 28.163 1.00 0.00 C ATOM 297 C ALA A 22 9.354 9.558 28.580 1.00 0.00 C ATOM 298 O ALA A 22 9.120 8.686 27.743 1.00 0.00 O ATOM 299 CB ALA A 22 11.095 11.283 29.078 1.00 0.00 C ATOM 0 H ALA A 22 9.070 12.671 28.874 1.00 0.00 H new ATOM 0 HA ALA A 22 10.316 10.804 27.144 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.848 10.495 29.061 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.539 12.217 28.734 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.726 11.410 30.096 1.00 0.00 H new ATOM 305 N ASP A 23 9.120 9.397 29.877 1.00 0.00 N ATOM 306 CA ASP A 23 8.559 8.158 30.405 1.00 0.00 C ATOM 307 C ASP A 23 7.204 7.861 29.771 1.00 0.00 C ATOM 308 O ASP A 23 6.368 8.746 29.592 1.00 0.00 O ATOM 309 CB ASP A 23 8.417 8.245 31.926 1.00 0.00 C ATOM 310 CG ASP A 23 9.607 7.652 32.654 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.146 6.631 32.178 1.00 0.00 O ATOM 312 OD2 ASP A 23 10.001 8.211 33.699 1.00 0.00 O ATOM 0 H ASP A 23 9.310 10.108 30.583 1.00 0.00 H new ATOM 0 HA ASP A 23 9.241 7.345 30.158 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.300 9.289 32.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.510 7.724 32.234 1.00 0.00 H new ATOM 317 N PRO A 24 6.981 6.586 29.421 1.00 0.00 N ATOM 318 CA PRO A 24 5.730 6.142 28.800 1.00 0.00 C ATOM 319 C PRO A 24 4.555 6.183 29.771 1.00 0.00 C ATOM 320 O PRO A 24 3.424 6.479 29.383 1.00 0.00 O ATOM 321 CB PRO A 24 6.030 4.700 28.386 1.00 0.00 C ATOM 322 CG PRO A 24 7.108 4.256 29.314 1.00 0.00 C ATOM 323 CD PRO A 24 7.934 5.478 29.604 1.00 0.00 C ATOM 0 HA PRO A 24 5.437 6.785 27.970 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.145 4.070 28.477 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.355 4.646 27.347 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.688 3.842 30.231 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.716 3.473 28.860 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.338 5.459 30.616 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.782 5.561 28.924 1.00 0.00 H new ATOM 331 N THR A 25 4.829 5.886 31.038 1.00 0.00 N ATOM 332 CA THR A 25 3.795 5.889 32.065 1.00 0.00 C ATOM 333 C THR A 25 3.133 7.258 32.175 1.00 0.00 C ATOM 334 O THR A 25 2.019 7.381 32.686 1.00 0.00 O ATOM 335 CB THR A 25 4.367 5.495 33.439 1.00 0.00 C ATOM 336 OG1 THR A 25 5.217 6.536 33.933 1.00 0.00 O ATOM 337 CG2 THR A 25 5.151 4.195 33.347 1.00 0.00 C ATOM 0 H THR A 25 5.759 5.640 31.377 1.00 0.00 H new ATOM 0 HA THR A 25 3.050 5.152 31.766 1.00 0.00 H new ATOM 0 HB THR A 25 3.533 5.350 34.126 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.575 6.278 34.808 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.545 3.937 34.330 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.494 3.398 32.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.976 4.317 32.646 1.00 0.00 H new ATOM 345 N LEU A 26 3.825 8.284 31.694 1.00 0.00 N ATOM 346 CA LEU A 26 3.304 9.646 31.739 1.00 0.00 C ATOM 347 C LEU A 26 2.394 9.920 30.546 1.00 0.00 C ATOM 348 O LEU A 26 1.906 11.036 30.368 1.00 0.00 O ATOM 349 CB LEU A 26 4.455 10.654 31.758 1.00 0.00 C ATOM 350 CG LEU A 26 5.536 10.417 32.813 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.549 11.551 32.803 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.912 10.269 34.193 1.00 0.00 C ATOM 0 H LEU A 26 4.748 8.199 31.268 1.00 0.00 H new ATOM 0 HA LEU A 26 2.719 9.755 32.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.928 10.654 30.776 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.038 11.649 31.911 1.00 0.00 H new ATOM 0 HG LEU A 26 6.056 9.490 32.570 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.311 11.365 33.560 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.020 11.610 31.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.044 12.492 33.020 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.696 10.101 34.931 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.366 11.178 34.445 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.226 9.422 34.193 1.00 0.00 H new ATOM 364 N TRP A 27 2.169 8.894 29.733 1.00 0.00 N ATOM 365 CA TRP A 27 1.315 9.024 28.557 1.00 0.00 C ATOM 366 C TRP A 27 -0.155 8.874 28.933 1.00 0.00 C ATOM 367 O TRP A 27 -0.539 7.919 29.610 1.00 0.00 O ATOM 368 CB TRP A 27 1.695 7.979 27.507 1.00 0.00 C ATOM 369 CG TRP A 27 3.051 8.204 26.909 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.841 9.307 27.062 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.774 7.304 26.062 1.00 0.00 C ATOM 372 NE1 TRP A 27 5.012 9.147 26.360 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.996 7.927 25.740 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.510 6.032 25.547 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.948 7.320 24.925 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.455 5.431 24.738 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.663 6.075 24.434 1.00 0.00 C ATOM 0 H TRP A 27 2.565 7.964 29.866 1.00 0.00 H new ATOM 0 HA TRP A 27 1.464 10.019 28.139 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.666 6.989 27.963 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.949 7.985 26.712 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.584 10.177 27.648 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.770 9.827 26.309 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.583 5.528 25.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.879 7.814 24.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.260 4.449 24.333 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.383 5.579 23.800 1.00 0.00 H new ATOM 388 N THR A 28 -0.975 9.821 28.489 1.00 0.00 N ATOM 389 CA THR A 28 -2.403 9.794 28.780 1.00 0.00 C ATOM 390 C THR A 28 -3.138 8.846 27.839 1.00 0.00 C ATOM 391 O THR A 28 -2.518 8.162 27.026 1.00 0.00 O ATOM 392 CB THR A 28 -3.026 11.198 28.665 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.091 11.595 27.291 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.217 12.216 29.454 1.00 0.00 C ATOM 0 H THR A 28 -0.674 10.617 27.926 1.00 0.00 H new ATOM 0 HA THR A 28 -2.510 9.440 29.805 1.00 0.00 H new ATOM 0 HB THR A 28 -4.033 11.158 29.079 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.490 12.488 27.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.677 13.200 29.357 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.195 11.927 30.505 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.199 12.251 29.066 1.00 0.00 H new ATOM 402 N GLN A 29 -4.461 8.811 27.957 1.00 0.00 N ATOM 403 CA GLN A 29 -5.279 7.946 27.115 1.00 0.00 C ATOM 404 C GLN A 29 -5.165 8.347 25.648 1.00 0.00 C ATOM 405 O GLN A 29 -5.518 7.576 24.756 1.00 0.00 O ATOM 406 CB GLN A 29 -6.742 8.003 27.560 1.00 0.00 C ATOM 407 CG GLN A 29 -7.349 6.636 27.832 1.00 0.00 C ATOM 408 CD GLN A 29 -8.821 6.711 28.186 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.660 6.083 27.539 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.143 7.481 29.219 1.00 0.00 N ATOM 0 H GLN A 29 -4.989 9.371 28.627 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.913 6.925 27.222 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.815 8.610 28.462 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.328 8.505 26.790 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.223 6.005 26.952 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.807 6.158 28.648 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.415 7.984 29.727 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.118 7.570 29.505 1.00 0.00 H new ATOM 419 N GLU A 30 -4.671 9.557 25.407 1.00 0.00 N ATOM 420 CA GLU A 30 -4.512 10.060 24.048 1.00 0.00 C ATOM 421 C GLU A 30 -3.089 9.831 23.546 1.00 0.00 C ATOM 422 O GLU A 30 -2.879 9.450 22.393 1.00 0.00 O ATOM 423 CB GLU A 30 -4.852 11.550 23.988 1.00 0.00 C ATOM 424 CG GLU A 30 -4.801 12.131 22.585 1.00 0.00 C ATOM 425 CD GLU A 30 -6.179 12.325 21.984 1.00 0.00 C ATOM 426 OE1 GLU A 30 -7.086 11.530 22.310 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.352 13.271 21.187 1.00 0.00 O ATOM 0 H GLU A 30 -4.374 10.207 26.135 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.199 9.512 23.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.850 11.703 24.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.157 12.098 24.624 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.282 13.089 22.611 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.218 11.470 21.943 1.00 0.00 H new ATOM 434 N HIS A 31 -2.115 10.065 24.419 1.00 0.00 N ATOM 435 CA HIS A 31 -0.711 9.885 24.065 1.00 0.00 C ATOM 436 C HIS A 31 -0.453 8.464 23.574 1.00 0.00 C ATOM 437 O HIS A 31 0.124 8.261 22.506 1.00 0.00 O ATOM 438 CB HIS A 31 0.183 10.192 25.267 1.00 0.00 C ATOM 439 CG HIS A 31 0.462 11.652 25.449 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.756 12.215 26.673 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.493 12.665 24.552 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.954 13.512 26.521 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.801 13.811 25.244 1.00 0.00 N ATOM 0 H HIS A 31 -2.272 10.380 25.377 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.473 10.578 23.258 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.291 9.806 26.170 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.128 9.662 25.151 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.310 12.587 23.491 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.199 14.210 27.308 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.896 14.742 24.837 1.00 0.00 H new ATOM 451 N VAL A 32 -0.885 7.483 24.360 1.00 0.00 N ATOM 452 CA VAL A 32 -0.701 6.081 24.005 1.00 0.00 C ATOM 453 C VAL A 32 -1.177 5.808 22.583 1.00 0.00 C ATOM 454 O VAL A 32 -0.641 4.940 21.894 1.00 0.00 O ATOM 455 CB VAL A 32 -1.455 5.153 24.975 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.332 3.703 24.531 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.937 5.330 26.394 1.00 0.00 C ATOM 0 H VAL A 32 -1.365 7.634 25.247 1.00 0.00 H new ATOM 0 HA VAL A 32 0.367 5.874 24.073 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.511 5.424 24.962 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.871 3.062 25.229 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.756 3.591 23.533 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.281 3.416 24.513 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.482 4.666 27.066 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.125 5.087 26.426 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.083 6.363 26.708 1.00 0.00 H new ATOM 467 N ARG A 33 -2.187 6.554 22.149 1.00 0.00 N ATOM 468 CA ARG A 33 -2.737 6.392 20.808 1.00 0.00 C ATOM 469 C ARG A 33 -1.828 7.037 19.766 1.00 0.00 C ATOM 470 O ARG A 33 -1.451 6.403 18.782 1.00 0.00 O ATOM 471 CB ARG A 33 -4.136 7.006 20.730 1.00 0.00 C ATOM 472 CG ARG A 33 -5.171 6.271 21.567 1.00 0.00 C ATOM 473 CD ARG A 33 -6.584 6.559 21.084 1.00 0.00 C ATOM 474 NE ARG A 33 -6.866 5.919 19.802 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.907 6.231 19.039 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.760 7.169 19.425 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.097 5.603 17.885 1.00 0.00 N ATOM 0 H ARG A 33 -2.642 7.277 22.707 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.804 5.325 20.596 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.087 8.044 21.058 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.462 7.015 19.690 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.982 5.199 21.523 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.074 6.569 22.611 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.300 6.210 21.828 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.722 7.636 20.989 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.229 5.193 19.475 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.618 7.654 20.311 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.558 7.406 18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.443 4.880 17.584 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.897 5.843 17.299 1.00 0.00 H new ATOM 491 N GLN A 34 -1.482 8.301 19.991 1.00 0.00 N ATOM 492 CA GLN A 34 -0.619 9.031 19.071 1.00 0.00 C ATOM 493 C GLN A 34 0.714 8.313 18.889 1.00 0.00 C ATOM 494 O GLN A 34 1.170 8.107 17.765 1.00 0.00 O ATOM 495 CB GLN A 34 -0.380 10.453 19.582 1.00 0.00 C ATOM 496 CG GLN A 34 -1.487 11.427 19.211 1.00 0.00 C ATOM 497 CD GLN A 34 -1.344 12.766 19.907 1.00 0.00 C ATOM 498 OE1 GLN A 34 -2.379 13.168 20.636 1.00 0.00 O flip ATOM 499 NE2 GLN A 34 -0.315 13.432 19.792 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.786 8.840 20.802 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.120 9.079 18.104 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.278 10.428 20.667 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.565 10.820 19.181 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.484 11.581 18.132 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.452 10.990 19.468 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.456 13.085 19.222 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.234 14.331 20.267 1.00 0.00 H new ATOM 508 N TRP A 35 1.334 7.936 20.002 1.00 0.00 N ATOM 509 CA TRP A 35 2.616 7.241 19.964 1.00 0.00 C ATOM 510 C TRP A 35 2.531 5.988 19.099 1.00 0.00 C ATOM 511 O TRP A 35 3.497 5.616 18.432 1.00 0.00 O ATOM 512 CB TRP A 35 3.059 6.869 21.380 1.00 0.00 C ATOM 513 CG TRP A 35 4.228 5.932 21.410 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.537 6.248 21.180 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.195 4.528 21.684 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.319 5.124 21.294 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.519 4.055 21.603 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.175 3.623 21.991 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.848 2.720 21.818 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.502 2.297 22.204 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.829 1.856 22.117 1.00 0.00 C ATOM 0 H TRP A 35 0.970 8.100 20.941 1.00 0.00 H new ATOM 0 HA TRP A 35 3.353 7.913 19.525 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.317 7.778 21.923 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.222 6.411 21.906 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.903 7.236 20.943 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.331 5.091 21.169 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.149 3.954 22.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.870 2.378 21.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.722 1.589 22.441 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.053 0.814 22.289 1.00 0.00 H new ATOM 532 N LEU A 36 1.371 5.341 19.115 1.00 0.00 N ATOM 533 CA LEU A 36 1.160 4.129 18.331 1.00 0.00 C ATOM 534 C LEU A 36 1.223 4.430 16.837 1.00 0.00 C ATOM 535 O LEU A 36 2.073 3.898 16.123 1.00 0.00 O ATOM 536 CB LEU A 36 -0.191 3.501 18.680 1.00 0.00 C ATOM 537 CG LEU A 36 -0.218 1.975 18.767 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.622 1.492 19.938 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.650 1.474 18.893 1.00 0.00 C ATOM 0 H LEU A 36 0.562 5.635 19.662 1.00 0.00 H new ATOM 0 HA LEU A 36 1.955 3.424 18.575 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.521 3.906 19.637 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.919 3.815 17.933 1.00 0.00 H new ATOM 0 HG LEU A 36 0.209 1.570 17.849 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.591 0.403 19.984 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.653 1.820 19.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.226 1.906 20.865 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.651 0.386 18.954 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.102 1.888 19.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.224 1.789 18.021 1.00 0.00 H new ATOM 551 N GLU A 37 0.319 5.286 16.371 1.00 0.00 N ATOM 552 CA GLU A 37 0.274 5.658 14.962 1.00 0.00 C ATOM 553 C GLU A 37 1.631 6.174 14.492 1.00 0.00 C ATOM 554 O GLU A 37 1.974 6.067 13.315 1.00 0.00 O ATOM 555 CB GLU A 37 -0.799 6.723 14.727 1.00 0.00 C ATOM 556 CG GLU A 37 -2.156 6.357 15.302 1.00 0.00 C ATOM 557 CD GLU A 37 -3.306 6.876 14.460 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.117 7.894 13.762 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.394 6.264 14.499 1.00 0.00 O ATOM 0 H GLU A 37 -0.392 5.735 16.949 1.00 0.00 H new ATOM 0 HA GLU A 37 0.024 4.768 14.385 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.468 7.663 15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.902 6.893 13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.231 5.273 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.239 6.760 16.312 1.00 0.00 H new ATOM 566 N TRP A 38 2.398 6.735 15.420 1.00 0.00 N ATOM 567 CA TRP A 38 3.717 7.268 15.101 1.00 0.00 C ATOM 568 C TRP A 38 4.697 6.144 14.783 1.00 0.00 C ATOM 569 O TRP A 38 5.219 6.059 13.672 1.00 0.00 O ATOM 570 CB TRP A 38 4.245 8.108 16.266 1.00 0.00 C ATOM 571 CG TRP A 38 5.699 8.450 16.140 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.271 9.268 15.208 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.765 7.981 16.973 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.628 9.336 15.412 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.956 8.556 16.489 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.828 7.133 18.082 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.194 8.308 17.076 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.058 6.888 18.664 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.227 7.474 18.161 1.00 0.00 C ATOM 0 H TRP A 38 2.129 6.832 16.399 1.00 0.00 H new ATOM 0 HA TRP A 38 3.622 7.901 14.219 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.667 9.030 16.332 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.086 7.565 17.198 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.735 9.785 14.426 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.285 9.879 14.852 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.932 6.677 18.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.096 8.758 16.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.119 6.234 19.521 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.173 7.264 18.639 1.00 0.00 H new ATOM 590 N ALA A 39 4.942 5.283 15.766 1.00 0.00 N ATOM 591 CA ALA A 39 5.858 4.163 15.589 1.00 0.00 C ATOM 592 C ALA A 39 5.505 3.357 14.343 1.00 0.00 C ATOM 593 O ALA A 39 6.376 2.753 13.717 1.00 0.00 O ATOM 594 CB ALA A 39 5.842 3.269 16.820 1.00 0.00 C ATOM 0 H ALA A 39 4.519 5.340 16.692 1.00 0.00 H new ATOM 0 HA ALA A 39 6.863 4.564 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.530 2.437 16.674 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.149 3.846 17.692 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.835 2.883 16.977 1.00 0.00 H new ATOM 600 N ILE A 40 4.224 3.353 13.990 1.00 0.00 N ATOM 601 CA ILE A 40 3.757 2.621 12.819 1.00 0.00 C ATOM 602 C ILE A 40 4.207 3.301 11.531 1.00 0.00 C ATOM 603 O ILE A 40 4.758 2.660 10.636 1.00 0.00 O ATOM 604 CB ILE A 40 2.223 2.493 12.810 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.743 1.755 14.062 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.759 1.771 11.553 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.336 2.122 14.477 1.00 0.00 C ATOM 0 H ILE A 40 3.491 3.848 14.498 1.00 0.00 H new ATOM 0 HA ILE A 40 4.196 1.625 12.874 1.00 0.00 H new ATOM 0 HB ILE A 40 1.790 3.493 12.812 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.792 0.681 13.882 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.424 1.971 14.885 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.672 1.688 11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.074 2.333 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.199 0.774 11.523 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.062 1.561 15.371 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.286 3.190 14.689 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.356 1.880 13.671 1.00 0.00 H new ATOM 619 N LYS A 41 3.971 4.606 11.443 1.00 0.00 N ATOM 620 CA LYS A 41 4.354 5.376 10.266 1.00 0.00 C ATOM 621 C LYS A 41 5.864 5.585 10.220 1.00 0.00 C ATOM 622 O LYS A 41 6.422 5.918 9.175 1.00 0.00 O ATOM 623 CB LYS A 41 3.640 6.730 10.263 1.00 0.00 C ATOM 624 CG LYS A 41 4.061 7.642 11.403 1.00 0.00 C ATOM 625 CD LYS A 41 3.449 9.026 11.265 1.00 0.00 C ATOM 626 CE LYS A 41 4.148 9.839 10.187 1.00 0.00 C ATOM 627 NZ LYS A 41 3.390 9.829 8.905 1.00 0.00 N ATOM 0 H LYS A 41 3.516 5.153 12.174 1.00 0.00 H new ATOM 0 HA LYS A 41 4.056 4.813 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.836 7.232 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.564 6.564 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.758 7.202 12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.148 7.724 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.390 8.934 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.515 9.551 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.270 10.867 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.148 9.438 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.052 9.714 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.712 9.040 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.876 10.727 8.799 1.00 0.00 H new ATOM 641 N GLU A 42 6.519 5.387 11.360 1.00 0.00 N ATOM 642 CA GLU A 42 7.965 5.553 11.448 1.00 0.00 C ATOM 643 C GLU A 42 8.684 4.248 11.117 1.00 0.00 C ATOM 644 O GLU A 42 9.545 4.207 10.238 1.00 0.00 O ATOM 645 CB GLU A 42 8.362 6.027 12.847 1.00 0.00 C ATOM 646 CG GLU A 42 9.861 6.197 13.030 1.00 0.00 C ATOM 647 CD GLU A 42 10.523 6.858 11.837 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.090 7.967 11.458 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.472 6.267 11.281 1.00 0.00 O ATOM 0 H GLU A 42 6.072 5.112 12.234 1.00 0.00 H new ATOM 0 HA GLU A 42 8.263 6.306 10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.869 6.977 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.994 5.311 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.049 6.794 13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.316 5.221 13.198 1.00 0.00 H new ATOM 656 N TYR A 43 8.325 3.185 11.828 1.00 0.00 N ATOM 657 CA TYR A 43 8.937 1.880 11.614 1.00 0.00 C ATOM 658 C TYR A 43 8.181 1.092 10.547 1.00 0.00 C ATOM 659 O TYR A 43 8.443 -0.091 10.331 1.00 0.00 O ATOM 660 CB TYR A 43 8.969 1.087 12.921 1.00 0.00 C ATOM 661 CG TYR A 43 9.568 1.854 14.079 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.718 2.615 13.913 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.984 1.815 15.339 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.269 3.317 14.968 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.527 2.515 16.400 1.00 0.00 C ATOM 666 CZ TYR A 43 10.669 3.264 16.209 1.00 0.00 C ATOM 667 OH TYR A 43 11.214 3.961 17.263 1.00 0.00 O ATOM 0 H TYR A 43 7.613 3.202 12.558 1.00 0.00 H new ATOM 0 HA TYR A 43 9.958 2.039 11.268 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.953 0.788 13.180 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.541 0.172 12.767 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.190 2.659 12.942 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.091 1.228 15.492 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.164 3.904 14.822 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.060 2.476 17.373 1.00 0.00 H new ATOM 0 HH TYR A 43 10.945 3.541 18.107 1.00 0.00 H new ATOM 677 N SER A 44 7.243 1.759 9.883 1.00 0.00 N ATOM 678 CA SER A 44 6.446 1.123 8.841 1.00 0.00 C ATOM 679 C SER A 44 5.830 -0.178 9.346 1.00 0.00 C ATOM 680 O SER A 44 6.178 -1.265 8.883 1.00 0.00 O ATOM 681 CB SER A 44 7.307 0.846 7.607 1.00 0.00 C ATOM 682 OG SER A 44 7.833 2.049 7.072 1.00 0.00 O ATOM 0 H SER A 44 7.016 2.740 10.048 1.00 0.00 H new ATOM 0 HA SER A 44 5.641 1.805 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.124 0.175 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.710 0.338 6.850 1.00 0.00 H new ATOM 0 HG SER A 44 8.381 1.845 6.285 1.00 0.00 H new ATOM 688 N LEU A 45 4.912 -0.060 10.300 1.00 0.00 N ATOM 689 CA LEU A 45 4.246 -1.226 10.870 1.00 0.00 C ATOM 690 C LEU A 45 2.877 -1.436 10.232 1.00 0.00 C ATOM 691 O LEU A 45 2.232 -0.484 9.793 1.00 0.00 O ATOM 692 CB LEU A 45 4.097 -1.063 12.384 1.00 0.00 C ATOM 693 CG LEU A 45 5.369 -0.696 13.148 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.099 -0.652 14.644 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.483 -1.685 12.835 1.00 0.00 C ATOM 0 H LEU A 45 4.612 0.831 10.695 1.00 0.00 H new ATOM 0 HA LEU A 45 4.861 -2.102 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.348 -0.294 12.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.708 -1.995 12.793 1.00 0.00 H new ATOM 0 HG LEU A 45 5.689 0.295 12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.016 -0.389 15.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.333 0.095 14.854 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.754 -1.630 14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.381 -1.408 13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.172 -2.688 13.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.695 -1.668 11.766 1.00 0.00 H new ATOM 707 N MET A 46 2.437 -2.690 10.187 1.00 0.00 N ATOM 708 CA MET A 46 1.142 -3.025 9.606 1.00 0.00 C ATOM 709 C MET A 46 0.481 -4.165 10.373 1.00 0.00 C ATOM 710 O MET A 46 1.120 -4.828 11.190 1.00 0.00 O ATOM 711 CB MET A 46 1.304 -3.412 8.134 1.00 0.00 C ATOM 712 CG MET A 46 1.954 -2.328 7.289 1.00 0.00 C ATOM 713 SD MET A 46 1.373 -2.338 5.582 1.00 0.00 S ATOM 714 CE MET A 46 2.121 -0.833 4.962 1.00 0.00 C ATOM 0 H MET A 46 2.958 -3.490 10.546 1.00 0.00 H new ATOM 0 HA MET A 46 0.502 -2.145 9.675 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.903 -4.320 8.069 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.324 -3.647 7.718 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.748 -1.354 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.036 -2.462 7.302 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.854 -0.699 3.914 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.760 0.018 5.540 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.205 -0.901 5.054 1.00 0.00 H new ATOM 724 N GLU A 47 -0.803 -4.386 10.106 1.00 0.00 N ATOM 725 CA GLU A 47 -1.550 -5.445 10.774 1.00 0.00 C ATOM 726 C GLU A 47 -1.640 -5.185 12.274 1.00 0.00 C ATOM 727 O GLU A 47 -1.711 -6.119 13.074 1.00 0.00 O ATOM 728 CB GLU A 47 -0.891 -6.803 10.519 1.00 0.00 C ATOM 729 CG GLU A 47 -0.519 -7.036 9.064 1.00 0.00 C ATOM 730 CD GLU A 47 -0.882 -8.428 8.585 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.228 -9.396 9.026 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.820 -8.549 7.769 1.00 0.00 O ATOM 0 H GLU A 47 -1.347 -3.846 9.433 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.560 -5.456 10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.007 -6.882 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.569 -7.593 10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.024 -6.298 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.552 -6.880 8.937 1.00 0.00 H new ATOM 739 N ILE A 48 -1.635 -3.910 12.649 1.00 0.00 N ATOM 740 CA ILE A 48 -1.716 -3.527 14.053 1.00 0.00 C ATOM 741 C ILE A 48 -3.114 -3.031 14.407 1.00 0.00 C ATOM 742 O ILE A 48 -3.722 -2.269 13.655 1.00 0.00 O ATOM 743 CB ILE A 48 -0.691 -2.430 14.397 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.621 -2.224 15.912 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.054 -1.128 13.697 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.747 -1.805 16.402 1.00 0.00 C ATOM 0 H ILE A 48 -1.576 -3.125 12.000 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.491 -4.419 14.638 1.00 0.00 H new ATOM 0 HB ILE A 48 0.291 -2.748 14.046 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.349 -1.467 16.202 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.909 -3.150 16.410 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.321 -0.362 13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.059 -1.284 12.618 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.043 -0.804 14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.722 -1.677 17.484 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.477 -2.572 16.144 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.029 -0.863 15.932 1.00 0.00 H new ATOM 758 N ASP A 49 -3.616 -3.466 15.557 1.00 0.00 N ATOM 759 CA ASP A 49 -4.942 -3.064 16.013 1.00 0.00 C ATOM 760 C ASP A 49 -4.849 -1.891 16.986 1.00 0.00 C ATOM 761 O ASP A 49 -4.745 -2.082 18.198 1.00 0.00 O ATOM 762 CB ASP A 49 -5.653 -4.241 16.681 1.00 0.00 C ATOM 763 CG ASP A 49 -7.155 -4.201 16.478 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.764 -3.148 16.763 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.722 -5.221 16.034 1.00 0.00 O ATOM 0 H ASP A 49 -3.125 -4.097 16.191 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.518 -2.748 15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.260 -5.175 16.279 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.433 -4.236 17.749 1.00 0.00 H new ATOM 770 N THR A 50 -4.887 -0.677 16.446 1.00 0.00 N ATOM 771 CA THR A 50 -4.806 0.526 17.264 1.00 0.00 C ATOM 772 C THR A 50 -6.008 0.641 18.194 1.00 0.00 C ATOM 773 O THR A 50 -5.936 1.285 19.241 1.00 0.00 O ATOM 774 CB THR A 50 -4.722 1.794 16.393 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.882 1.892 15.558 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.470 1.775 15.530 1.00 0.00 C ATOM 0 H THR A 50 -4.973 -0.501 15.445 1.00 0.00 H new ATOM 0 HA THR A 50 -3.897 0.442 17.859 1.00 0.00 H new ATOM 0 HB THR A 50 -4.676 2.660 17.053 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.822 2.701 15.009 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.432 2.680 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.588 1.729 16.169 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.491 0.902 14.878 1.00 0.00 H new ATOM 784 N SER A 51 -7.113 0.012 17.806 1.00 0.00 N ATOM 785 CA SER A 51 -8.333 0.047 18.604 1.00 0.00 C ATOM 786 C SER A 51 -8.093 -0.549 19.988 1.00 0.00 C ATOM 787 O SER A 51 -8.791 -0.220 20.948 1.00 0.00 O ATOM 788 CB SER A 51 -9.453 -0.716 17.895 1.00 0.00 C ATOM 789 OG SER A 51 -9.656 -1.989 18.485 1.00 0.00 O ATOM 0 H SER A 51 -7.188 -0.528 16.944 1.00 0.00 H new ATOM 0 HA SER A 51 -8.631 1.089 18.722 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.376 -0.139 17.941 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.205 -0.836 16.840 1.00 0.00 H new ATOM 0 HG SER A 51 -9.079 -2.649 18.046 1.00 0.00 H new ATOM 795 N PHE A 52 -7.101 -1.427 20.084 1.00 0.00 N ATOM 796 CA PHE A 52 -6.769 -2.071 21.349 1.00 0.00 C ATOM 797 C PHE A 52 -6.179 -1.064 22.333 1.00 0.00 C ATOM 798 O PHE A 52 -6.236 -1.259 23.547 1.00 0.00 O ATOM 799 CB PHE A 52 -5.780 -3.216 21.120 1.00 0.00 C ATOM 800 CG PHE A 52 -5.968 -4.369 22.063 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.304 -4.402 23.279 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.810 -5.420 21.735 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.475 -5.462 24.150 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.985 -6.482 22.602 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.316 -6.503 23.810 1.00 0.00 C ATOM 0 H PHE A 52 -6.512 -1.709 19.300 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.688 -2.474 21.775 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.883 -3.574 20.096 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.764 -2.834 21.224 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.645 -3.590 23.549 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.335 -5.409 20.791 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.952 -5.476 25.095 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.644 -7.295 22.335 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.450 -7.333 24.488 1.00 0.00 H new ATOM 815 N PHE A 53 -5.611 0.012 21.799 1.00 0.00 N ATOM 816 CA PHE A 53 -5.008 1.049 22.628 1.00 0.00 C ATOM 817 C PHE A 53 -5.816 2.342 22.555 1.00 0.00 C ATOM 818 O PHE A 53 -5.320 3.415 22.895 1.00 0.00 O ATOM 819 CB PHE A 53 -3.566 1.311 22.188 1.00 0.00 C ATOM 820 CG PHE A 53 -2.739 0.062 22.076 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.786 -0.715 20.930 1.00 0.00 C ATOM 822 CD2 PHE A 53 -1.913 -0.333 23.116 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.026 -1.865 20.824 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.150 -1.482 23.016 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.206 -2.248 21.868 1.00 0.00 C ATOM 0 H PHE A 53 -5.556 0.189 20.796 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.007 0.698 23.660 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.575 1.819 21.224 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.094 1.987 22.901 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.424 -0.419 20.110 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.865 0.263 24.015 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.073 -2.463 19.926 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.511 -1.780 23.834 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.610 -3.145 21.787 1.00 0.00 H new ATOM 835 N GLN A 54 -7.063 2.228 22.110 1.00 0.00 N ATOM 836 CA GLN A 54 -7.940 3.388 21.991 1.00 0.00 C ATOM 837 C GLN A 54 -8.227 3.996 23.359 1.00 0.00 C ATOM 838 O GLN A 54 -8.523 5.185 23.471 1.00 0.00 O ATOM 839 CB GLN A 54 -9.252 2.994 21.309 1.00 0.00 C ATOM 840 CG GLN A 54 -10.181 2.185 22.200 1.00 0.00 C ATOM 841 CD GLN A 54 -11.502 1.867 21.528 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.680 2.112 20.335 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.438 1.317 22.293 1.00 0.00 N ATOM 0 H GLN A 54 -7.489 1.346 21.826 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.432 4.135 21.381 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.769 3.897 20.984 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.027 2.416 20.413 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.688 1.255 22.483 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.369 2.739 23.120 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.248 1.131 23.278 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.347 1.081 21.896 1.00 0.00 H new ATOM 852 N ASN A 55 -8.136 3.172 24.398 1.00 0.00 N ATOM 853 CA ASN A 55 -8.387 3.630 25.760 1.00 0.00 C ATOM 854 C ASN A 55 -7.382 3.020 26.733 1.00 0.00 C ATOM 855 O ASN A 55 -7.697 2.780 27.898 1.00 0.00 O ATOM 856 CB ASN A 55 -9.811 3.268 26.188 1.00 0.00 C ATOM 857 CG ASN A 55 -10.862 3.942 25.327 1.00 0.00 C ATOM 858 OD1 ASN A 55 -11.786 3.295 24.835 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.724 5.250 25.141 1.00 0.00 N ATOM 0 H ASN A 55 -7.891 2.185 24.323 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.273 4.714 25.779 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.940 2.187 26.134 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.959 3.555 27.229 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.400 5.758 24.571 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.942 5.746 25.568 1.00 0.00 H new ATOM 866 N MET A 56 -6.171 2.771 26.245 1.00 0.00 N ATOM 867 CA MET A 56 -5.119 2.191 27.071 1.00 0.00 C ATOM 868 C MET A 56 -4.177 3.272 27.591 1.00 0.00 C ATOM 869 O MET A 56 -3.287 3.731 26.874 1.00 0.00 O ATOM 870 CB MET A 56 -4.329 1.151 26.274 1.00 0.00 C ATOM 871 CG MET A 56 -3.265 0.438 27.092 1.00 0.00 C ATOM 872 SD MET A 56 -3.563 -1.335 27.225 1.00 0.00 S ATOM 873 CE MET A 56 -3.425 -1.832 25.509 1.00 0.00 C ATOM 0 H MET A 56 -5.894 2.962 25.282 1.00 0.00 H new ATOM 0 HA MET A 56 -5.590 1.703 27.924 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.021 0.412 25.871 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.854 1.641 25.424 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.289 0.605 26.636 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.229 0.872 28.091 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.934 -2.785 25.364 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.884 -1.075 24.873 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.373 -1.938 25.244 1.00 0.00 H new ATOM 883 N ASP A 57 -4.379 3.676 28.841 1.00 0.00 N ATOM 884 CA ASP A 57 -3.547 4.703 29.456 1.00 0.00 C ATOM 885 C ASP A 57 -2.083 4.275 29.479 1.00 0.00 C ATOM 886 O ASP A 57 -1.774 3.086 29.540 1.00 0.00 O ATOM 887 CB ASP A 57 -4.028 4.995 30.878 1.00 0.00 C ATOM 888 CG ASP A 57 -4.350 3.731 31.651 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.416 3.132 32.225 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.536 3.341 31.683 1.00 0.00 O ATOM 0 H ASP A 57 -5.112 3.308 29.448 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.632 5.611 28.858 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.260 5.557 31.410 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.915 5.628 30.836 1.00 0.00 H new ATOM 895 N GLY A 58 -1.184 5.254 29.429 1.00 0.00 N ATOM 896 CA GLY A 58 0.237 4.958 29.444 1.00 0.00 C ATOM 897 C GLY A 58 0.606 3.941 30.505 1.00 0.00 C ATOM 898 O GLY A 58 1.520 3.138 30.316 1.00 0.00 O ATOM 0 H GLY A 58 -1.414 6.246 29.378 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.537 4.583 28.466 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.795 5.878 29.618 1.00 0.00 H new ATOM 902 N LYS A 59 -0.104 3.975 31.628 1.00 0.00 N ATOM 903 CA LYS A 59 0.153 3.049 32.725 1.00 0.00 C ATOM 904 C LYS A 59 -0.182 1.618 32.319 1.00 0.00 C ATOM 905 O LYS A 59 0.572 0.689 32.607 1.00 0.00 O ATOM 906 CB LYS A 59 -0.664 3.446 33.956 1.00 0.00 C ATOM 907 CG LYS A 59 -0.521 4.910 34.335 1.00 0.00 C ATOM 908 CD LYS A 59 0.909 5.249 34.721 1.00 0.00 C ATOM 909 CE LYS A 59 1.255 4.715 36.102 1.00 0.00 C ATOM 910 NZ LYS A 59 0.834 5.651 37.181 1.00 0.00 N ATOM 0 H LYS A 59 -0.862 4.634 31.802 1.00 0.00 H new ATOM 0 HA LYS A 59 1.214 3.099 32.969 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.716 3.229 33.769 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.356 2.829 34.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.831 5.535 33.498 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.187 5.138 35.167 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.595 4.829 33.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.045 6.330 34.703 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.771 3.750 36.250 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.330 4.546 36.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.088 5.250 38.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.315 6.564 37.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.195 5.793 37.136 1.00 0.00 H new ATOM 924 N GLU A 60 -1.317 1.448 31.648 1.00 0.00 N ATOM 925 CA GLU A 60 -1.750 0.128 31.202 1.00 0.00 C ATOM 926 C GLU A 60 -0.992 -0.299 29.949 1.00 0.00 C ATOM 927 O GLU A 60 -1.058 -1.456 29.534 1.00 0.00 O ATOM 928 CB GLU A 60 -3.255 0.127 30.926 1.00 0.00 C ATOM 929 CG GLU A 60 -4.105 0.191 32.184 1.00 0.00 C ATOM 930 CD GLU A 60 -4.469 -1.183 32.712 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.935 -2.022 31.913 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.288 -1.418 33.925 1.00 0.00 O ATOM 0 H GLU A 60 -1.953 2.207 31.401 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.533 -0.585 31.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.499 0.977 30.289 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.513 -0.774 30.369 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.566 0.741 32.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.017 0.749 31.974 1.00 0.00 H new ATOM 939 N LEU A 61 -0.272 0.644 29.350 1.00 0.00 N ATOM 940 CA LEU A 61 0.499 0.367 28.143 1.00 0.00 C ATOM 941 C LEU A 61 1.906 -0.109 28.493 1.00 0.00 C ATOM 942 O LEU A 61 2.487 -0.934 27.787 1.00 0.00 O ATOM 943 CB LEU A 61 0.575 1.616 27.265 1.00 0.00 C ATOM 944 CG LEU A 61 1.689 1.634 26.217 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.549 0.453 25.269 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.674 2.945 25.445 1.00 0.00 C ATOM 0 H LEU A 61 -0.206 1.607 29.681 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.007 -0.426 27.592 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.380 1.734 26.753 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.699 2.484 27.913 1.00 0.00 H new ATOM 0 HG LEU A 61 2.647 1.549 26.731 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.350 0.482 24.530 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.611 -0.477 25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.586 0.506 24.762 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.473 2.940 24.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.714 3.060 24.942 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.824 3.775 26.135 1.00 0.00 H new ATOM 958 N CYS A 62 2.446 0.415 29.588 1.00 0.00 N ATOM 959 CA CYS A 62 3.785 0.043 30.033 1.00 0.00 C ATOM 960 C CYS A 62 3.756 -1.274 30.801 1.00 0.00 C ATOM 961 O CYS A 62 4.794 -1.893 31.035 1.00 0.00 O ATOM 962 CB CYS A 62 4.378 1.146 30.910 1.00 0.00 C ATOM 963 SG CYS A 62 3.610 1.286 32.541 1.00 0.00 S ATOM 0 H CYS A 62 1.978 1.098 30.184 1.00 0.00 H new ATOM 0 HA CYS A 62 4.412 -0.086 29.151 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.444 0.960 31.037 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.280 2.100 30.391 1.00 0.00 H new ATOM 0 HG CYS A 62 2.342 1.017 32.448 1.00 0.00 H new ATOM 969 N LYS A 63 2.559 -1.698 31.193 1.00 0.00 N ATOM 970 CA LYS A 63 2.393 -2.942 31.936 1.00 0.00 C ATOM 971 C LYS A 63 2.151 -4.113 30.989 1.00 0.00 C ATOM 972 O LYS A 63 2.470 -5.258 31.309 1.00 0.00 O ATOM 973 CB LYS A 63 1.228 -2.819 32.921 1.00 0.00 C ATOM 974 CG LYS A 63 -0.138 -2.872 32.258 1.00 0.00 C ATOM 975 CD LYS A 63 -1.258 -2.817 33.283 1.00 0.00 C ATOM 976 CE LYS A 63 -1.596 -4.201 33.815 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.062 -4.378 34.009 1.00 0.00 N ATOM 0 H LYS A 63 1.689 -1.198 31.008 1.00 0.00 H new ATOM 0 HA LYS A 63 3.312 -3.131 32.491 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.298 -3.622 33.655 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.322 -1.880 33.466 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.239 -2.038 31.563 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.224 -3.787 31.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.964 -2.170 34.110 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.145 -2.373 32.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.228 -4.957 33.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.082 -4.361 34.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.236 -4.876 34.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.524 -3.446 34.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.452 -4.935 33.222 1.00 0.00 H new ATOM 991 N MET A 64 1.586 -3.818 29.823 1.00 0.00 N ATOM 992 CA MET A 64 1.304 -4.847 28.829 1.00 0.00 C ATOM 993 C MET A 64 2.549 -5.682 28.543 1.00 0.00 C ATOM 994 O MET A 64 3.671 -5.185 28.619 1.00 0.00 O ATOM 995 CB MET A 64 0.794 -4.211 27.535 1.00 0.00 C ATOM 996 CG MET A 64 -0.600 -3.619 27.657 1.00 0.00 C ATOM 997 SD MET A 64 -1.839 -4.568 26.754 1.00 0.00 S ATOM 998 CE MET A 64 -1.171 -4.504 25.093 1.00 0.00 C ATOM 0 H MET A 64 1.315 -2.875 29.543 1.00 0.00 H new ATOM 0 HA MET A 64 0.532 -5.503 29.231 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.487 -3.428 27.227 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.793 -4.963 26.746 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.880 -3.572 28.709 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.590 -2.595 27.284 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.985 -4.561 24.371 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.628 -3.569 24.955 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.492 -5.343 24.941 1.00 0.00 H new ATOM 1008 N ASN A 65 2.341 -6.953 28.213 1.00 0.00 N ATOM 1009 CA ASN A 65 3.446 -7.856 27.917 1.00 0.00 C ATOM 1010 C ASN A 65 3.386 -8.333 26.469 1.00 0.00 C ATOM 1011 O ASN A 65 2.467 -7.985 25.726 1.00 0.00 O ATOM 1012 CB ASN A 65 3.418 -9.058 28.863 1.00 0.00 C ATOM 1013 CG ASN A 65 2.884 -8.701 30.236 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.402 -7.804 30.902 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.841 -9.402 30.667 1.00 0.00 N ATOM 0 H ASN A 65 1.417 -7.380 28.144 1.00 0.00 H new ATOM 0 HA ASN A 65 4.378 -7.309 28.063 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.800 -9.844 28.429 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.425 -9.463 28.962 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.438 -9.205 31.583 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.443 -10.137 30.082 1.00 0.00 H new ATOM 1022 N LYS A 66 4.371 -9.132 26.073 1.00 0.00 N ATOM 1023 CA LYS A 66 4.430 -9.660 24.715 1.00 0.00 C ATOM 1024 C LYS A 66 3.112 -10.323 24.331 1.00 0.00 C ATOM 1025 O LYS A 66 2.659 -10.210 23.192 1.00 0.00 O ATOM 1026 CB LYS A 66 5.576 -10.666 24.587 1.00 0.00 C ATOM 1027 CG LYS A 66 5.923 -11.013 23.149 1.00 0.00 C ATOM 1028 CD LYS A 66 7.133 -10.233 22.664 1.00 0.00 C ATOM 1029 CE LYS A 66 7.436 -10.526 21.202 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.526 -11.529 21.052 1.00 0.00 N ATOM 0 H LYS A 66 5.140 -9.428 26.674 1.00 0.00 H new ATOM 0 HA LYS A 66 4.608 -8.827 24.035 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.461 -10.261 25.078 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.308 -11.579 25.118 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.122 -12.082 23.069 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.069 -10.799 22.506 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.955 -9.165 22.793 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.000 -10.487 23.274 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.535 -10.893 20.711 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.720 -9.602 20.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.023 -11.370 20.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.197 -11.433 21.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.120 -12.486 21.058 1.00 0.00 H new ATOM 1044 N GLU A 67 2.500 -11.013 25.288 1.00 0.00 N ATOM 1045 CA GLU A 67 1.233 -11.693 25.048 1.00 0.00 C ATOM 1046 C GLU A 67 0.119 -10.687 24.773 1.00 0.00 C ATOM 1047 O GLU A 67 -0.468 -10.675 23.691 1.00 0.00 O ATOM 1048 CB GLU A 67 0.862 -12.566 26.249 1.00 0.00 C ATOM 1049 CG GLU A 67 0.904 -14.056 25.954 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.470 -14.635 25.677 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.333 -13.892 25.164 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.682 -15.829 25.972 1.00 0.00 O ATOM 0 H GLU A 67 2.861 -11.116 26.236 1.00 0.00 H new ATOM 0 HA GLU A 67 1.351 -12.327 24.169 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.544 -12.347 27.071 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.140 -12.299 26.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.549 -14.234 25.094 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.350 -14.578 26.801 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.166 -9.845 25.760 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.209 -8.834 25.626 1.00 0.00 C ATOM 1061 C ASP A 68 -0.992 -7.993 24.372 1.00 0.00 C ATOM 1062 O ASP A 68 -1.945 -7.490 23.777 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.238 -7.933 26.862 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.190 -8.723 28.155 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.924 -9.726 28.265 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.417 -8.336 29.058 1.00 0.00 O ATOM 0 H ASP A 68 0.310 -9.842 26.662 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.168 -9.345 25.537 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.392 -7.246 26.827 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.143 -7.325 26.844 1.00 0.00 H new ATOM 1071 N PHE A 69 0.268 -7.843 23.978 1.00 0.00 N ATOM 1072 CA PHE A 69 0.611 -7.060 22.796 1.00 0.00 C ATOM 1073 C PHE A 69 0.326 -7.848 21.520 1.00 0.00 C ATOM 1074 O PHE A 69 -0.079 -7.282 20.504 1.00 0.00 O ATOM 1075 CB PHE A 69 2.085 -6.653 22.838 1.00 0.00 C ATOM 1076 CG PHE A 69 2.312 -5.284 23.414 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.809 -4.159 22.779 1.00 0.00 C ATOM 1078 CD2 PHE A 69 3.027 -5.122 24.589 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.017 -2.899 23.306 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.238 -3.864 25.121 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.732 -2.751 24.479 1.00 0.00 C ATOM 0 H PHE A 69 1.068 -8.253 24.459 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.007 -6.162 22.794 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.639 -7.383 23.428 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.492 -6.685 21.827 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.248 -4.269 21.862 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.424 -5.989 25.096 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.621 -2.030 22.801 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.798 -3.752 26.038 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.895 -1.767 24.893 1.00 0.00 H new ATOM 1091 N LEU A 70 0.540 -9.158 21.581 1.00 0.00 N ATOM 1092 CA LEU A 70 0.308 -10.025 20.431 1.00 0.00 C ATOM 1093 C LEU A 70 -1.184 -10.149 20.135 1.00 0.00 C ATOM 1094 O LEU A 70 -1.578 -10.537 19.036 1.00 0.00 O ATOM 1095 CB LEU A 70 0.906 -11.410 20.683 1.00 0.00 C ATOM 1096 CG LEU A 70 2.281 -11.670 20.067 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.789 -13.049 20.458 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.221 -11.531 18.553 1.00 0.00 C ATOM 0 H LEU A 70 0.874 -9.643 22.414 1.00 0.00 H new ATOM 0 HA LEU A 70 0.796 -9.577 19.565 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.978 -11.562 21.760 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.212 -12.158 20.301 1.00 0.00 H new ATOM 0 HG LEU A 70 2.978 -10.926 20.453 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.769 -13.216 20.010 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.870 -13.113 21.543 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.093 -13.808 20.101 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.208 -11.719 18.131 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.510 -12.252 18.149 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.902 -10.522 18.293 1.00 0.00 H new ATOM 1110 N ARG A 71 -2.007 -9.814 21.123 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.455 -9.886 20.968 1.00 0.00 C ATOM 1112 C ARG A 71 -3.995 -8.623 20.304 1.00 0.00 C ATOM 1113 O ARG A 71 -5.204 -8.466 20.136 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.126 -10.086 22.329 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.692 -11.356 23.041 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.741 -11.822 24.039 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.597 -13.238 24.363 1.00 0.00 N ATOM 1118 CZ ARG A 71 -4.886 -14.219 23.514 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.330 -13.938 22.297 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -4.729 -15.484 23.883 1.00 0.00 N ATOM 0 H ARG A 71 -1.696 -9.490 22.039 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.684 -10.738 20.328 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.902 -9.229 22.964 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.207 -10.108 22.192 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.512 -12.142 22.308 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.749 -11.180 23.558 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.661 -11.231 24.952 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.735 -11.643 23.630 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.256 -13.488 25.291 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.451 -12.967 22.010 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.551 -14.693 21.648 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.387 -15.704 24.818 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.951 -16.237 23.231 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.089 -7.726 19.927 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.474 -6.478 19.280 1.00 0.00 C ATOM 1136 C ALA A 72 -2.607 -6.204 18.056 1.00 0.00 C ATOM 1137 O ALA A 72 -3.093 -5.725 17.031 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.380 -5.322 20.265 1.00 0.00 C ATOM 0 H ALA A 72 -2.084 -7.841 20.059 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.507 -6.574 18.947 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.670 -4.396 19.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.047 -5.506 21.107 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.355 -5.234 20.626 1.00 0.00 H new ATOM 1144 N THR A 73 -1.318 -6.511 18.169 1.00 0.00 N ATOM 1145 CA THR A 73 -0.382 -6.297 17.072 1.00 0.00 C ATOM 1146 C THR A 73 0.397 -7.569 16.757 1.00 0.00 C ATOM 1147 O THR A 73 0.538 -8.449 17.606 1.00 0.00 O ATOM 1148 CB THR A 73 0.612 -5.166 17.395 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.276 -4.741 16.200 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.642 -5.626 18.416 1.00 0.00 C ATOM 0 H THR A 73 -0.899 -6.909 19.009 1.00 0.00 H new ATOM 0 HA THR A 73 -0.974 -6.013 16.202 1.00 0.00 H new ATOM 0 HB THR A 73 0.053 -4.331 17.817 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.635 -4.720 15.459 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.333 -4.810 18.628 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.136 -5.922 19.335 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.195 -6.476 18.017 1.00 0.00 H new ATOM 1158 N THR A 74 0.902 -7.660 15.531 1.00 0.00 N ATOM 1159 CA THR A 74 1.667 -8.824 15.104 1.00 0.00 C ATOM 1160 C THR A 74 2.934 -8.986 15.936 1.00 0.00 C ATOM 1161 O THR A 74 3.405 -8.033 16.558 1.00 0.00 O ATOM 1162 CB THR A 74 2.052 -8.728 13.615 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.820 -9.875 13.233 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.851 -7.463 13.344 1.00 0.00 C ATOM 0 H THR A 74 0.795 -6.941 14.816 1.00 0.00 H new ATOM 0 HA THR A 74 1.027 -9.694 15.251 1.00 0.00 H new ATOM 0 HB THR A 74 1.135 -8.693 13.026 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.059 -9.808 12.285 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.112 -7.417 12.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.253 -6.591 13.609 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.762 -7.473 13.942 1.00 0.00 H new ATOM 1172 N LEU A 75 3.481 -10.196 15.942 1.00 0.00 N ATOM 1173 CA LEU A 75 4.696 -10.482 16.698 1.00 0.00 C ATOM 1174 C LEU A 75 5.796 -9.481 16.360 1.00 0.00 C ATOM 1175 O LEU A 75 6.392 -8.874 17.250 1.00 0.00 O ATOM 1176 CB LEU A 75 5.178 -11.904 16.407 1.00 0.00 C ATOM 1177 CG LEU A 75 6.601 -12.236 16.857 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.724 -12.120 18.368 1.00 0.00 C ATOM 1179 CD2 LEU A 75 6.997 -13.630 16.392 1.00 0.00 C ATOM 0 H LEU A 75 3.103 -10.995 15.432 1.00 0.00 H new ATOM 0 HA LEU A 75 4.463 -10.394 17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.494 -12.603 16.888 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.108 -12.077 15.333 1.00 0.00 H new ATOM 0 HG LEU A 75 7.282 -11.517 16.402 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.744 -12.360 18.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.485 -11.102 18.675 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.032 -12.815 18.844 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.013 -13.849 16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.312 -14.364 16.817 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.950 -13.678 15.304 1.00 0.00 H new ATOM 1191 N TYR A 76 6.059 -9.312 15.069 1.00 0.00 N ATOM 1192 CA TYR A 76 7.087 -8.385 14.613 1.00 0.00 C ATOM 1193 C TYR A 76 6.922 -7.020 15.274 1.00 0.00 C ATOM 1194 O TYR A 76 7.851 -6.499 15.889 1.00 0.00 O ATOM 1195 CB TYR A 76 7.033 -8.237 13.091 1.00 0.00 C ATOM 1196 CG TYR A 76 8.133 -7.367 12.527 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.061 -5.982 12.608 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.245 -7.930 11.914 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.063 -5.183 12.094 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.254 -7.139 11.398 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.158 -5.766 11.490 1.00 0.00 C ATOM 1202 OH TYR A 76 11.159 -4.974 10.977 1.00 0.00 O ATOM 0 H TYR A 76 5.574 -9.805 14.320 1.00 0.00 H new ATOM 0 HA TYR A 76 8.058 -8.791 14.897 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.094 -9.226 12.636 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.068 -7.816 12.810 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.206 -5.522 13.081 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.322 -9.005 11.839 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.990 -4.108 12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.112 -7.593 10.926 1.00 0.00 H new ATOM 0 HH TYR A 76 11.857 -5.541 10.587 1.00 0.00 H new ATOM 1212 N ASN A 77 5.730 -6.447 15.142 1.00 0.00 N ATOM 1213 CA ASN A 77 5.440 -5.142 15.726 1.00 0.00 C ATOM 1214 C ASN A 77 5.518 -5.198 17.248 1.00 0.00 C ATOM 1215 O ASN A 77 5.898 -4.224 17.898 1.00 0.00 O ATOM 1216 CB ASN A 77 4.053 -4.662 15.292 1.00 0.00 C ATOM 1217 CG ASN A 77 3.987 -4.349 13.810 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.014 -4.249 13.138 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.774 -4.193 13.292 1.00 0.00 N ATOM 0 H ASN A 77 4.949 -6.865 14.636 1.00 0.00 H new ATOM 0 HA ASN A 77 6.190 -4.437 15.367 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.315 -5.427 15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.785 -3.772 15.861 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.666 -3.981 12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.950 -4.285 13.886 1.00 0.00 H new ATOM 1226 N THR A 78 5.155 -6.346 17.812 1.00 0.00 N ATOM 1227 CA THR A 78 5.183 -6.530 19.258 1.00 0.00 C ATOM 1228 C THR A 78 6.604 -6.420 19.798 1.00 0.00 C ATOM 1229 O THR A 78 6.812 -6.039 20.950 1.00 0.00 O ATOM 1230 CB THR A 78 4.596 -7.896 19.662 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.234 -7.990 19.231 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.672 -8.093 21.168 1.00 0.00 C ATOM 0 H THR A 78 4.838 -7.162 17.289 1.00 0.00 H new ATOM 0 HA THR A 78 4.571 -5.738 19.690 1.00 0.00 H new ATOM 0 HB THR A 78 5.184 -8.677 19.180 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.204 -8.329 18.312 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.252 -9.064 21.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.713 -8.050 21.489 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.106 -7.306 21.667 1.00 0.00 H new ATOM 1240 N GLU A 79 7.579 -6.757 18.960 1.00 0.00 N ATOM 1241 CA GLU A 79 8.982 -6.696 19.356 1.00 0.00 C ATOM 1242 C GLU A 79 9.504 -5.263 19.288 1.00 0.00 C ATOM 1243 O GLU A 79 10.348 -4.860 20.088 1.00 0.00 O ATOM 1244 CB GLU A 79 9.828 -7.602 18.459 1.00 0.00 C ATOM 1245 CG GLU A 79 9.766 -9.070 18.846 1.00 0.00 C ATOM 1246 CD GLU A 79 11.046 -9.814 18.517 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.132 -9.313 18.877 1.00 0.00 O ATOM 1248 OE2 GLU A 79 10.962 -10.896 17.900 1.00 0.00 O ATOM 0 H GLU A 79 7.424 -7.075 18.003 1.00 0.00 H new ATOM 0 HA GLU A 79 9.058 -7.044 20.386 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.494 -7.492 17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.865 -7.269 18.495 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.567 -9.152 19.914 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.932 -9.543 18.329 1.00 0.00 H new ATOM 1255 N VAL A 80 8.996 -4.499 18.326 1.00 0.00 N ATOM 1256 CA VAL A 80 9.410 -3.112 18.153 1.00 0.00 C ATOM 1257 C VAL A 80 8.857 -2.231 19.267 1.00 0.00 C ATOM 1258 O VAL A 80 9.612 -1.589 19.999 1.00 0.00 O ATOM 1259 CB VAL A 80 8.948 -2.554 16.794 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.279 -1.073 16.684 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.581 -3.337 15.654 1.00 0.00 C ATOM 0 H VAL A 80 8.297 -4.817 17.655 1.00 0.00 H new ATOM 0 HA VAL A 80 10.499 -3.099 18.191 1.00 0.00 H new ATOM 0 HB VAL A 80 7.866 -2.666 16.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.945 -0.696 15.717 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.773 -0.527 17.480 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.356 -0.933 16.776 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.244 -2.929 14.701 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.666 -3.259 15.718 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.287 -4.384 15.725 1.00 0.00 H new ATOM 1271 N LEU A 81 7.535 -2.203 19.391 1.00 0.00 N ATOM 1272 CA LEU A 81 6.879 -1.400 20.417 1.00 0.00 C ATOM 1273 C LEU A 81 7.474 -1.682 21.792 1.00 0.00 C ATOM 1274 O LEU A 81 7.979 -0.778 22.460 1.00 0.00 O ATOM 1275 CB LEU A 81 5.376 -1.684 20.431 1.00 0.00 C ATOM 1276 CG LEU A 81 4.609 -1.308 19.162 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.190 -1.852 19.215 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.597 0.202 18.974 1.00 0.00 C ATOM 0 H LEU A 81 6.896 -2.727 18.794 1.00 0.00 H new ATOM 0 HA LEU A 81 7.042 -0.349 20.180 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.229 -2.748 20.618 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.933 -1.149 21.271 1.00 0.00 H new ATOM 0 HG LEU A 81 5.116 -1.756 18.308 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.660 -1.575 18.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.220 -2.938 19.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.672 -1.434 20.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.047 0.451 18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.114 0.672 19.831 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.621 0.566 18.889 1.00 0.00 H new ATOM 1290 N LEU A 82 7.413 -2.942 22.210 1.00 0.00 N ATOM 1291 CA LEU A 82 7.949 -3.344 23.506 1.00 0.00 C ATOM 1292 C LEU A 82 9.394 -2.883 23.666 1.00 0.00 C ATOM 1293 O LEU A 82 9.776 -2.355 24.710 1.00 0.00 O ATOM 1294 CB LEU A 82 7.867 -4.864 23.664 1.00 0.00 C ATOM 1295 CG LEU A 82 6.524 -5.417 24.144 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.487 -6.930 23.997 1.00 0.00 C ATOM 1297 CD2 LEU A 82 6.267 -5.013 25.589 1.00 0.00 C ATOM 0 H LEU A 82 6.998 -3.702 21.671 1.00 0.00 H new ATOM 0 HA LEU A 82 7.348 -2.870 24.282 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.104 -5.322 22.704 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.639 -5.178 24.366 1.00 0.00 H new ATOM 0 HG LEU A 82 5.735 -4.993 23.523 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.524 -7.306 24.343 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.625 -7.197 22.949 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.285 -7.373 24.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.307 -5.415 25.914 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.060 -5.409 26.224 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.250 -3.926 25.665 1.00 0.00 H new ATOM 1309 N SER A 83 10.192 -3.083 22.622 1.00 0.00 N ATOM 1310 CA SER A 83 11.596 -2.688 22.647 1.00 0.00 C ATOM 1311 C SER A 83 11.734 -1.183 22.852 1.00 0.00 C ATOM 1312 O SER A 83 12.530 -0.727 23.673 1.00 0.00 O ATOM 1313 CB SER A 83 12.287 -3.102 21.346 1.00 0.00 C ATOM 1314 OG SER A 83 12.701 -4.457 21.397 1.00 0.00 O ATOM 0 H SER A 83 9.891 -3.516 21.749 1.00 0.00 H new ATOM 0 HA SER A 83 12.076 -3.196 23.483 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.606 -2.958 20.507 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.151 -2.461 21.169 1.00 0.00 H new ATOM 0 HG SER A 83 12.033 -5.020 20.953 1.00 0.00 H new ATOM 1320 N HIS A 84 10.952 -0.415 22.099 1.00 0.00 N ATOM 1321 CA HIS A 84 10.985 1.040 22.199 1.00 0.00 C ATOM 1322 C HIS A 84 10.669 1.495 23.620 1.00 0.00 C ATOM 1323 O HIS A 84 11.461 2.200 24.248 1.00 0.00 O ATOM 1324 CB HIS A 84 9.990 1.662 21.218 1.00 0.00 C ATOM 1325 CG HIS A 84 10.244 3.113 20.947 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.156 3.718 20.151 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.513 4.126 21.530 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.961 5.073 20.265 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.963 5.292 21.103 1.00 0.00 N flip ATOM 0 H HIS A 84 10.288 -0.776 21.414 1.00 0.00 H new ATOM 0 HA HIS A 84 11.991 1.374 21.946 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.028 1.113 20.277 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.981 1.546 21.614 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.700 3.988 22.227 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.530 5.835 19.753 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.601 6.206 21.374 1.00 0.00 H new ATOM 1337 N LEU A 85 9.508 1.089 24.121 1.00 0.00 N ATOM 1338 CA LEU A 85 9.086 1.455 25.469 1.00 0.00 C ATOM 1339 C LEU A 85 10.087 0.957 26.507 1.00 0.00 C ATOM 1340 O LEU A 85 10.193 1.514 27.599 1.00 0.00 O ATOM 1341 CB LEU A 85 7.699 0.882 25.764 1.00 0.00 C ATOM 1342 CG LEU A 85 6.680 1.860 26.351 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.697 2.311 25.282 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.943 1.224 27.521 1.00 0.00 C ATOM 0 H LEU A 85 8.842 0.506 23.614 1.00 0.00 H new ATOM 0 HA LEU A 85 9.042 2.543 25.527 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.291 0.476 24.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.812 0.047 26.456 1.00 0.00 H new ATOM 0 HG LEU A 85 7.215 2.736 26.717 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.979 3.006 25.718 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.238 2.806 24.476 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.168 1.445 24.886 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.222 1.934 27.926 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.420 0.331 27.179 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.659 0.951 28.297 1.00 0.00 H new ATOM 1356 N SER A 86 10.820 -0.095 26.157 1.00 0.00 N ATOM 1357 CA SER A 86 11.811 -0.670 27.059 1.00 0.00 C ATOM 1358 C SER A 86 12.804 0.392 27.523 1.00 0.00 C ATOM 1359 O SER A 86 13.201 0.420 28.688 1.00 0.00 O ATOM 1360 CB SER A 86 12.556 -1.815 26.370 1.00 0.00 C ATOM 1361 OG SER A 86 13.855 -1.412 25.972 1.00 0.00 O ATOM 0 H SER A 86 10.746 -0.566 25.255 1.00 0.00 H new ATOM 0 HA SER A 86 11.288 -1.060 27.932 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.627 -2.666 27.047 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.992 -2.148 25.499 1.00 0.00 H new ATOM 0 HG SER A 86 13.830 -1.096 25.045 1.00 0.00 H new ATOM 1367 N TYR A 87 13.201 1.263 26.602 1.00 0.00 N ATOM 1368 CA TYR A 87 14.150 2.325 26.914 1.00 0.00 C ATOM 1369 C TYR A 87 13.453 3.490 27.611 1.00 0.00 C ATOM 1370 O TYR A 87 13.856 3.911 28.696 1.00 0.00 O ATOM 1371 CB TYR A 87 14.836 2.816 25.638 1.00 0.00 C ATOM 1372 CG TYR A 87 15.676 4.056 25.841 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.647 4.107 26.834 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.501 5.177 25.038 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.416 5.239 27.024 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.267 6.313 25.220 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.223 6.339 26.214 1.00 0.00 C ATOM 1378 OH TYR A 87 17.989 7.467 26.398 1.00 0.00 O ATOM 0 H TYR A 87 12.881 1.255 25.634 1.00 0.00 H new ATOM 0 HA TYR A 87 14.903 1.918 27.589 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.468 2.019 25.246 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.077 3.021 24.883 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.803 3.247 27.468 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.754 5.160 24.259 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.164 5.263 27.802 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.118 7.176 24.587 1.00 0.00 H new ATOM 0 HH TYR A 87 17.728 8.150 25.745 1.00 0.00 H new ATOM 1388 N LEU A 88 12.405 4.007 26.979 1.00 0.00 N ATOM 1389 CA LEU A 88 11.650 5.124 27.537 1.00 0.00 C ATOM 1390 C LEU A 88 11.196 4.817 28.960 1.00 0.00 C ATOM 1391 O LEU A 88 11.016 5.723 29.774 1.00 0.00 O ATOM 1392 CB LEU A 88 10.438 5.435 26.658 1.00 0.00 C ATOM 1393 CG LEU A 88 10.723 6.212 25.372 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.433 5.326 24.360 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.432 6.765 24.786 1.00 0.00 C ATOM 0 H LEU A 88 12.059 3.671 26.080 1.00 0.00 H new ATOM 0 HA LEU A 88 12.304 5.996 27.564 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.957 4.494 26.391 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.721 6.003 27.251 1.00 0.00 H new ATOM 0 HG LEU A 88 11.377 7.050 25.613 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.628 5.895 23.451 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.377 4.978 24.780 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.804 4.468 24.123 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.654 7.315 23.871 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.754 5.942 24.559 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.963 7.434 25.507 1.00 0.00 H new