USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 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 73 THR OG1 : rot 42:sc= -2.81! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.36! C(o=-8.2!,f=-10!) USER MOD Set 2.1: A 56 MET CE :methyl -160:sc= -1.53 (180deg=-2.61) USER MOD Set 2.2: A 64 MET CE :methyl -140:sc= -0.474 (180deg=-3.69!) USER MOD Set 3.1: A 43 TYR OH : rot -148:sc= 0.572 USER MOD Set 3.2: A 84 HIS :FLIP no HD1:sc= -0.207 F(o=-1.3,f=0.37) USER MOD Single : A 25 THR OG1 : rot -97:sc= 0.335 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 29 GLN : amide:sc= -0.0781 K(o=-0.078,f=-0.63) USER MOD Single : A 31 HIS : no HD1:sc= -4.03! C(o=-4!,f=-4!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ -116:sc= -0.207 (180deg=-0.836) USER MOD Single : A 62 CYS SG : rot -36:sc= -2.11! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.721 K(o=-0.72,f=-1.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 79:sc= 0.944 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.303 13.883 23.159 1.00 0.00 N ATOM 266 CA VAL A 20 5.076 13.053 24.336 1.00 0.00 C ATOM 267 C VAL A 20 6.264 13.116 25.290 1.00 0.00 C ATOM 268 O VAL A 20 7.397 13.392 24.893 1.00 0.00 O ATOM 269 CB VAL A 20 4.821 11.585 23.947 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.430 11.423 23.356 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.884 11.101 22.972 1.00 0.00 C ATOM 0 HA VAL A 20 4.191 13.447 24.836 1.00 0.00 H new ATOM 0 HB VAL A 20 4.880 10.973 24.847 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.268 10.379 23.087 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.685 11.728 24.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.338 12.045 22.466 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.689 10.062 22.707 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.859 11.715 22.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.867 11.179 23.437 1.00 0.00 H new ATOM 281 N PRO A 21 6.002 12.854 26.579 1.00 0.00 N ATOM 282 CA PRO A 21 7.038 12.873 27.617 1.00 0.00 C ATOM 283 C PRO A 21 8.019 11.714 27.479 1.00 0.00 C ATOM 284 O PRO A 21 7.851 10.845 26.624 1.00 0.00 O ATOM 285 CB PRO A 21 6.239 12.746 28.917 1.00 0.00 C ATOM 286 CG PRO A 21 4.979 12.056 28.521 1.00 0.00 C ATOM 287 CD PRO A 21 4.676 12.518 27.123 1.00 0.00 C ATOM 0 HA PRO A 21 7.652 13.772 27.564 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.787 12.172 29.664 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.035 13.724 29.353 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.099 10.973 28.557 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.165 12.309 29.201 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.188 11.738 26.539 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.010 13.381 27.121 1.00 0.00 H new ATOM 295 N ALA A 22 9.043 11.707 28.326 1.00 0.00 N ATOM 296 CA ALA A 22 10.049 10.653 28.299 1.00 0.00 C ATOM 297 C ALA A 22 9.432 9.297 28.625 1.00 0.00 C ATOM 298 O ALA A 22 9.206 8.478 27.734 1.00 0.00 O ATOM 299 CB ALA A 22 11.173 10.972 29.274 1.00 0.00 C ATOM 0 H ALA A 22 9.198 12.420 29.039 1.00 0.00 H new ATOM 0 HA ALA A 22 10.460 10.603 27.291 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.918 10.177 29.244 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.640 11.917 28.995 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.768 11.052 30.283 1.00 0.00 H new ATOM 305 N ASP A 23 9.164 9.067 29.905 1.00 0.00 N ATOM 306 CA ASP A 23 8.573 7.809 30.348 1.00 0.00 C ATOM 307 C ASP A 23 7.176 7.629 29.761 1.00 0.00 C ATOM 308 O ASP A 23 6.400 8.577 29.639 1.00 0.00 O ATOM 309 CB ASP A 23 8.507 7.762 31.875 1.00 0.00 C ATOM 310 CG ASP A 23 9.032 6.455 32.437 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.187 6.096 32.125 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.289 5.792 33.190 1.00 0.00 O ATOM 0 H ASP A 23 9.346 9.735 30.654 1.00 0.00 H new ATOM 0 HA ASP A 23 9.205 6.994 29.994 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.085 8.589 32.286 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.475 7.904 32.196 1.00 0.00 H new ATOM 317 N PRO A 24 6.847 6.383 29.388 1.00 0.00 N ATOM 318 CA PRO A 24 5.544 6.049 28.807 1.00 0.00 C ATOM 319 C PRO A 24 4.413 6.147 29.825 1.00 0.00 C ATOM 320 O PRO A 24 3.266 6.422 29.470 1.00 0.00 O ATOM 321 CB PRO A 24 5.722 4.601 28.344 1.00 0.00 C ATOM 322 CG PRO A 24 6.798 4.054 29.217 1.00 0.00 C ATOM 323 CD PRO A 24 7.723 5.205 29.505 1.00 0.00 C ATOM 0 HA PRO A 24 5.267 6.736 28.007 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.797 4.034 28.453 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.003 4.553 27.292 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.383 3.647 30.139 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.329 3.242 28.720 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.163 5.128 30.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.548 5.245 28.794 1.00 0.00 H new ATOM 331 N THR A 25 4.743 5.922 31.093 1.00 0.00 N ATOM 332 CA THR A 25 3.755 5.985 32.163 1.00 0.00 C ATOM 333 C THR A 25 3.115 7.366 32.239 1.00 0.00 C ATOM 334 O THR A 25 2.039 7.532 32.816 1.00 0.00 O ATOM 335 CB THR A 25 4.383 5.646 33.528 1.00 0.00 C ATOM 336 OG1 THR A 25 5.415 6.588 33.840 1.00 0.00 O ATOM 337 CG2 THR A 25 4.959 4.238 33.524 1.00 0.00 C ATOM 0 H THR A 25 5.687 5.694 31.404 1.00 0.00 H new ATOM 0 HA THR A 25 2.989 5.245 31.930 1.00 0.00 H new ATOM 0 HB THR A 25 3.601 5.700 34.286 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.285 6.216 33.586 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.397 4.021 34.498 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.165 3.521 33.315 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.728 4.162 32.755 1.00 0.00 H new ATOM 345 N LEU A 26 3.781 8.355 31.655 1.00 0.00 N ATOM 346 CA LEU A 26 3.276 9.724 31.656 1.00 0.00 C ATOM 347 C LEU A 26 2.418 9.989 30.424 1.00 0.00 C ATOM 348 O LEU A 26 2.089 11.135 30.119 1.00 0.00 O ATOM 349 CB LEU A 26 4.439 10.717 31.705 1.00 0.00 C ATOM 350 CG LEU A 26 5.476 10.482 32.803 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.511 11.597 32.807 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.800 10.376 34.162 1.00 0.00 C ATOM 0 H LEU A 26 4.673 8.235 31.174 1.00 0.00 H new ATOM 0 HA LEU A 26 2.656 9.856 32.543 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.948 10.697 30.742 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.030 11.720 31.828 1.00 0.00 H new ATOM 0 HG LEU A 26 5.986 9.541 32.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.241 11.413 33.595 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.018 11.626 31.842 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.017 12.552 32.986 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.554 10.209 34.931 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.263 11.301 34.375 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.098 9.542 34.155 1.00 0.00 H new ATOM 364 N TRP A 27 2.057 8.922 29.721 1.00 0.00 N ATOM 365 CA TRP A 27 1.234 9.039 28.522 1.00 0.00 C ATOM 366 C TRP A 27 -0.248 8.940 28.867 1.00 0.00 C ATOM 367 O TRP A 27 -0.691 7.965 29.475 1.00 0.00 O ATOM 368 CB TRP A 27 1.608 7.952 27.513 1.00 0.00 C ATOM 369 CG TRP A 27 2.969 8.142 26.913 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.798 9.213 27.085 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.657 7.234 26.045 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.960 9.027 26.375 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.898 7.820 25.730 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.346 5.984 25.505 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.825 7.197 24.898 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.266 5.367 24.680 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.494 5.974 24.383 1.00 0.00 C ATOM 0 H TRP A 27 2.321 7.966 29.960 1.00 0.00 H new ATOM 0 HA TRP A 27 1.421 10.017 28.078 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.568 6.980 28.005 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.866 7.936 26.715 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.574 10.079 27.690 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.741 9.681 26.335 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.403 5.508 25.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.772 7.663 24.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.035 4.401 24.257 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.193 5.466 23.735 1.00 0.00 H new ATOM 388 N THR A 28 -1.011 9.956 28.477 1.00 0.00 N ATOM 389 CA THR A 28 -2.443 9.984 28.746 1.00 0.00 C ATOM 390 C THR A 28 -3.197 9.046 27.811 1.00 0.00 C ATOM 391 O THR A 28 -2.593 8.360 26.986 1.00 0.00 O ATOM 392 CB THR A 28 -3.015 11.407 28.598 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.108 11.756 27.212 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.142 12.419 29.324 1.00 0.00 C ATOM 0 H THR A 28 -0.661 10.771 27.973 1.00 0.00 H new ATOM 0 HA THR A 28 -2.577 9.651 29.775 1.00 0.00 H new ATOM 0 HB THR A 28 -4.010 11.423 29.044 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.474 12.661 27.126 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.566 13.416 29.205 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.097 12.167 30.384 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.136 12.400 28.904 1.00 0.00 H new ATOM 402 N GLN A 29 -4.519 9.021 27.944 1.00 0.00 N ATOM 403 CA GLN A 29 -5.355 8.166 27.109 1.00 0.00 C ATOM 404 C GLN A 29 -5.221 8.544 25.637 1.00 0.00 C ATOM 405 O GLN A 29 -5.576 7.765 24.753 1.00 0.00 O ATOM 406 CB GLN A 29 -6.818 8.267 27.543 1.00 0.00 C ATOM 407 CG GLN A 29 -7.470 6.919 27.801 1.00 0.00 C ATOM 408 CD GLN A 29 -8.956 7.033 28.081 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.784 6.834 27.192 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.302 7.355 29.322 1.00 0.00 N ATOM 0 H GLN A 29 -5.034 9.583 28.622 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.017 7.137 27.233 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.879 8.870 28.449 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.382 8.792 26.772 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.316 6.274 26.936 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.980 6.439 28.648 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.582 7.511 30.028 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.287 7.446 29.569 1.00 0.00 H new ATOM 419 N GLU A 30 -4.707 9.743 25.383 1.00 0.00 N ATOM 420 CA GLU A 30 -4.529 10.223 24.018 1.00 0.00 C ATOM 421 C GLU A 30 -3.110 9.950 23.527 1.00 0.00 C ATOM 422 O GLU A 30 -2.907 9.506 22.396 1.00 0.00 O ATOM 423 CB GLU A 30 -4.828 11.722 23.938 1.00 0.00 C ATOM 424 CG GLU A 30 -4.666 12.301 22.542 1.00 0.00 C ATOM 425 CD GLU A 30 -5.738 11.821 21.584 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.555 10.741 20.982 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.760 12.524 21.434 1.00 0.00 O ATOM 0 H GLU A 30 -4.407 10.399 26.104 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.227 9.686 23.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.848 11.899 24.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.166 12.253 24.622 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.695 13.389 22.598 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.686 12.028 22.151 1.00 0.00 H new ATOM 434 N HIS A 31 -2.131 10.219 24.385 1.00 0.00 N ATOM 435 CA HIS A 31 -0.730 10.003 24.039 1.00 0.00 C ATOM 436 C HIS A 31 -0.513 8.586 23.515 1.00 0.00 C ATOM 437 O HIS A 31 0.063 8.391 22.444 1.00 0.00 O ATOM 438 CB HIS A 31 0.162 10.252 25.255 1.00 0.00 C ATOM 439 CG HIS A 31 0.570 11.684 25.415 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.884 12.245 26.635 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.717 12.670 24.500 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.204 13.515 26.464 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.112 13.798 25.177 1.00 0.00 N ATOM 0 H HIS A 31 -2.282 10.587 25.324 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.462 10.708 23.252 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.364 9.930 26.154 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.057 9.635 25.172 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.554 12.586 23.436 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.492 14.205 27.244 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.303 14.707 24.755 1.00 0.00 H new ATOM 451 N VAL A 32 -0.977 7.601 24.276 1.00 0.00 N ATOM 452 CA VAL A 32 -0.834 6.203 23.889 1.00 0.00 C ATOM 453 C VAL A 32 -1.326 5.974 22.464 1.00 0.00 C ATOM 454 O VAL A 32 -0.806 5.119 21.747 1.00 0.00 O ATOM 455 CB VAL A 32 -1.607 5.274 24.843 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.522 3.831 24.370 1.00 0.00 C ATOM 457 CG2 VAL A 32 -1.079 5.410 26.263 1.00 0.00 C ATOM 0 H VAL A 32 -1.456 7.745 25.165 1.00 0.00 H new ATOM 0 HA VAL A 32 0.228 5.966 23.946 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.656 5.571 24.840 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.074 3.190 25.057 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.952 3.749 23.372 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.478 3.518 24.342 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.637 4.746 26.924 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.023 5.141 26.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.198 6.440 26.598 1.00 0.00 H new ATOM 467 N ARG A 33 -2.332 6.743 22.061 1.00 0.00 N ATOM 468 CA ARG A 33 -2.896 6.624 20.722 1.00 0.00 C ATOM 469 C ARG A 33 -1.988 7.285 19.689 1.00 0.00 C ATOM 470 O ARG A 33 -1.792 6.758 18.594 1.00 0.00 O ATOM 471 CB ARG A 33 -4.288 7.258 20.673 1.00 0.00 C ATOM 472 CG ARG A 33 -5.284 6.614 21.625 1.00 0.00 C ATOM 473 CD ARG A 33 -6.715 6.812 21.150 1.00 0.00 C ATOM 474 NE ARG A 33 -7.223 8.140 21.483 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.494 8.498 21.340 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.382 7.630 20.874 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.881 9.725 21.665 1.00 0.00 N ATOM 0 H ARG A 33 -2.773 7.455 22.643 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.979 5.564 20.483 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.204 8.318 20.911 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.674 7.189 19.656 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.072 5.548 21.710 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.167 7.042 22.620 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.762 6.666 20.071 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.355 6.055 21.603 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.566 8.831 21.845 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.089 6.685 20.625 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.358 7.907 20.765 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.202 10.395 22.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.858 9.998 21.554 1.00 0.00 H new ATOM 491 N GLN A 34 -1.438 8.441 20.046 1.00 0.00 N ATOM 492 CA GLN A 34 -0.552 9.174 19.149 1.00 0.00 C ATOM 493 C GLN A 34 0.749 8.409 18.924 1.00 0.00 C ATOM 494 O GLN A 34 1.143 8.159 17.786 1.00 0.00 O ATOM 495 CB GLN A 34 -0.250 10.561 19.718 1.00 0.00 C ATOM 496 CG GLN A 34 -1.152 11.654 19.167 1.00 0.00 C ATOM 497 CD GLN A 34 -0.829 13.020 19.737 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.331 13.435 19.766 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.854 13.730 20.194 1.00 0.00 N ATOM 0 H GLN A 34 -1.590 8.890 20.949 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.058 9.285 18.190 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.352 10.530 20.803 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.788 10.815 19.503 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.056 11.686 18.082 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.191 11.409 19.389 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.799 13.348 20.151 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.697 14.657 20.588 1.00 0.00 H new ATOM 508 N TRP A 35 1.409 8.042 20.016 1.00 0.00 N ATOM 509 CA TRP A 35 2.666 7.307 19.938 1.00 0.00 C ATOM 510 C TRP A 35 2.508 6.047 19.095 1.00 0.00 C ATOM 511 O TRP A 35 3.448 5.612 18.427 1.00 0.00 O ATOM 512 CB TRP A 35 3.154 6.939 21.340 1.00 0.00 C ATOM 513 CG TRP A 35 4.302 5.975 21.336 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.614 6.264 21.088 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.240 4.567 21.590 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.371 5.120 21.172 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.552 4.066 21.480 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.205 3.682 21.902 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.852 2.720 21.670 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.505 2.346 22.090 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.819 1.876 21.974 1.00 0.00 C ATOM 0 H TRP A 35 1.095 8.241 20.966 1.00 0.00 H new ATOM 0 HA TRP A 35 3.405 7.951 19.461 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.454 7.847 21.863 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.327 6.506 21.903 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.000 7.247 20.860 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.379 5.065 21.028 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.189 4.035 21.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.864 2.355 21.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.713 1.653 22.330 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.021 0.826 22.128 1.00 0.00 H new ATOM 532 N LEU A 36 1.315 5.464 19.128 1.00 0.00 N ATOM 533 CA LEU A 36 1.033 4.253 18.365 1.00 0.00 C ATOM 534 C LEU A 36 1.108 4.523 16.866 1.00 0.00 C ATOM 535 O LEU A 36 1.941 3.951 16.164 1.00 0.00 O ATOM 536 CB LEU A 36 -0.350 3.708 18.728 1.00 0.00 C ATOM 537 CG LEU A 36 -0.476 2.185 18.790 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.315 1.631 19.965 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.938 1.775 18.888 1.00 0.00 C ATOM 0 H LEU A 36 0.527 5.810 19.675 1.00 0.00 H new ATOM 0 HA LEU A 36 1.788 3.509 18.619 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.636 4.116 19.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.069 4.083 17.999 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.063 1.768 17.872 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.213 0.546 19.993 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.367 1.894 19.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.067 2.055 20.893 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.009 0.688 18.931 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.376 2.203 19.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.477 2.139 18.014 1.00 0.00 H new ATOM 551 N GLU A 37 0.234 5.400 16.384 1.00 0.00 N ATOM 552 CA GLU A 37 0.203 5.747 14.968 1.00 0.00 C ATOM 553 C GLU A 37 1.576 6.211 14.491 1.00 0.00 C ATOM 554 O GLU A 37 1.916 6.074 13.316 1.00 0.00 O ATOM 555 CB GLU A 37 -0.835 6.842 14.710 1.00 0.00 C ATOM 556 CG GLU A 37 -2.245 6.453 15.121 1.00 0.00 C ATOM 557 CD GLU A 37 -3.265 6.722 14.032 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.053 6.256 12.893 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.275 7.398 14.319 1.00 0.00 O ATOM 0 H GLU A 37 -0.462 5.883 16.952 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.075 4.854 14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.543 7.742 15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.831 7.092 13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.265 5.394 15.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.523 7.005 16.019 1.00 0.00 H new ATOM 566 N TRP A 38 2.361 6.760 15.411 1.00 0.00 N ATOM 567 CA TRP A 38 3.697 7.245 15.085 1.00 0.00 C ATOM 568 C TRP A 38 4.641 6.084 14.791 1.00 0.00 C ATOM 569 O TRP A 38 5.157 5.959 13.681 1.00 0.00 O ATOM 570 CB TRP A 38 4.250 8.089 16.235 1.00 0.00 C ATOM 571 CG TRP A 38 5.715 8.381 16.107 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.313 9.170 15.167 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.764 7.885 16.945 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.672 9.195 15.370 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.974 8.416 16.455 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.800 7.047 18.062 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.203 8.133 17.045 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.021 6.766 18.646 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.209 7.309 18.137 1.00 0.00 C ATOM 0 H TRP A 38 2.095 6.880 16.388 1.00 0.00 H new ATOM 0 HA TRP A 38 3.624 7.864 14.191 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.702 9.030 16.282 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.071 7.569 17.176 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.794 9.697 14.380 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.346 9.710 14.804 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.890 6.626 18.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.120 8.549 16.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.060 6.117 19.509 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.147 7.072 18.616 1.00 0.00 H new ATOM 590 N ALA A 39 4.861 5.238 15.791 1.00 0.00 N ATOM 591 CA ALA A 39 5.741 4.086 15.638 1.00 0.00 C ATOM 592 C ALA A 39 5.368 3.271 14.403 1.00 0.00 C ATOM 593 O ALA A 39 6.225 2.641 13.782 1.00 0.00 O ATOM 594 CB ALA A 39 5.690 3.213 16.883 1.00 0.00 C ATOM 0 H ALA A 39 4.442 5.328 16.716 1.00 0.00 H new ATOM 0 HA ALA A 39 6.759 4.453 15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.352 2.357 16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.011 3.793 17.748 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.670 2.863 17.040 1.00 0.00 H new ATOM 600 N ILE A 40 4.086 3.288 14.054 1.00 0.00 N ATOM 601 CA ILE A 40 3.602 2.551 12.893 1.00 0.00 C ATOM 602 C ILE A 40 4.104 3.176 11.596 1.00 0.00 C ATOM 603 O ILE A 40 4.584 2.478 10.703 1.00 0.00 O ATOM 604 CB ILE A 40 2.063 2.499 12.862 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.529 1.801 14.115 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.582 1.786 11.607 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.133 2.237 14.500 1.00 0.00 C ATOM 0 H ILE A 40 3.364 3.803 14.558 1.00 0.00 H new ATOM 0 HA ILE A 40 3.991 1.536 12.979 1.00 0.00 H new ATOM 0 HB ILE A 40 1.680 3.519 12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.532 0.724 13.950 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.205 1.998 14.947 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.492 1.757 11.600 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.937 2.321 10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.972 0.768 11.595 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.181 1.702 15.396 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.128 3.309 14.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.555 2.015 13.685 1.00 0.00 H new ATOM 619 N LYS A 41 3.993 4.496 11.500 1.00 0.00 N ATOM 620 CA LYS A 41 4.439 5.218 10.314 1.00 0.00 C ATOM 621 C LYS A 41 5.958 5.359 10.302 1.00 0.00 C ATOM 622 O LYS A 41 6.557 5.623 9.260 1.00 0.00 O ATOM 623 CB LYS A 41 3.787 6.602 10.259 1.00 0.00 C ATOM 624 CG LYS A 41 4.175 7.503 11.418 1.00 0.00 C ATOM 625 CD LYS A 41 3.752 8.942 11.171 1.00 0.00 C ATOM 626 CE LYS A 41 4.794 9.698 10.362 1.00 0.00 C ATOM 627 NZ LYS A 41 4.894 11.124 10.781 1.00 0.00 N ATOM 0 H LYS A 41 3.598 5.089 12.230 1.00 0.00 H new ATOM 0 HA LYS A 41 4.138 4.646 9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.064 7.088 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.703 6.484 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.711 7.139 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.254 7.460 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.799 8.957 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.595 9.445 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.765 9.216 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.539 9.647 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.615 11.605 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.975 11.591 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.162 11.173 11.785 1.00 0.00 H new ATOM 641 N GLU A 42 6.574 5.179 11.466 1.00 0.00 N ATOM 642 CA GLU A 42 8.023 5.286 11.587 1.00 0.00 C ATOM 643 C GLU A 42 8.695 3.951 11.276 1.00 0.00 C ATOM 644 O GLU A 42 9.683 3.897 10.544 1.00 0.00 O ATOM 645 CB GLU A 42 8.407 5.747 12.995 1.00 0.00 C ATOM 646 CG GLU A 42 9.894 6.011 13.164 1.00 0.00 C ATOM 647 CD GLU A 42 10.246 7.479 13.015 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.653 8.146 12.142 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.115 7.960 13.773 1.00 0.00 O ATOM 0 H GLU A 42 6.093 4.959 12.338 1.00 0.00 H new ATOM 0 HA GLU A 42 8.369 6.025 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.856 6.656 13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.097 4.988 13.714 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.212 5.663 14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.448 5.431 12.426 1.00 0.00 H new ATOM 656 N TYR A 43 8.152 2.878 11.838 1.00 0.00 N ATOM 657 CA TYR A 43 8.699 1.543 11.624 1.00 0.00 C ATOM 658 C TYR A 43 7.903 0.792 10.562 1.00 0.00 C ATOM 659 O TYR A 43 8.086 -0.410 10.367 1.00 0.00 O ATOM 660 CB TYR A 43 8.697 0.752 12.933 1.00 0.00 C ATOM 661 CG TYR A 43 9.361 1.479 14.081 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.706 1.824 14.026 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.643 1.822 15.220 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.317 2.487 15.072 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.246 2.486 16.271 1.00 0.00 C ATOM 666 CZ TYR A 43 10.582 2.816 16.193 1.00 0.00 C ATOM 667 OH TYR A 43 11.187 3.478 17.237 1.00 0.00 O ATOM 0 H TYR A 43 7.333 2.906 12.446 1.00 0.00 H new ATOM 0 HA TYR A 43 9.726 1.651 11.274 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.667 0.521 13.207 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.205 -0.199 12.774 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.284 1.569 13.150 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.596 1.565 15.285 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.364 2.747 15.013 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.673 2.745 17.149 1.00 0.00 H new ATOM 0 HH TYR A 43 10.771 3.206 18.082 1.00 0.00 H new ATOM 677 N SER A 44 7.019 1.509 9.876 1.00 0.00 N ATOM 678 CA SER A 44 6.192 0.911 8.834 1.00 0.00 C ATOM 679 C SER A 44 5.486 -0.338 9.352 1.00 0.00 C ATOM 680 O SER A 44 5.441 -1.366 8.676 1.00 0.00 O ATOM 681 CB SER A 44 7.046 0.559 7.615 1.00 0.00 C ATOM 682 OG SER A 44 7.532 1.728 6.978 1.00 0.00 O ATOM 0 H SER A 44 6.857 2.505 10.023 1.00 0.00 H new ATOM 0 HA SER A 44 5.436 1.640 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.884 -0.066 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.455 -0.025 6.909 1.00 0.00 H new ATOM 0 HG SER A 44 8.076 1.476 6.203 1.00 0.00 H new ATOM 688 N LEU A 45 4.934 -0.241 10.557 1.00 0.00 N ATOM 689 CA LEU A 45 4.228 -1.362 11.168 1.00 0.00 C ATOM 690 C LEU A 45 2.890 -1.604 10.478 1.00 0.00 C ATOM 691 O LEU A 45 2.212 -0.662 10.067 1.00 0.00 O ATOM 692 CB LEU A 45 4.006 -1.099 12.658 1.00 0.00 C ATOM 693 CG LEU A 45 5.240 -0.678 13.457 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.861 -0.353 14.893 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.300 -1.769 13.417 1.00 0.00 C ATOM 0 H LEU A 45 4.962 0.602 11.130 1.00 0.00 H new ATOM 0 HA LEU A 45 4.843 -2.254 11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.249 -0.321 12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.597 -2.003 13.109 1.00 0.00 H new ATOM 0 HG LEU A 45 5.655 0.220 13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.752 -0.056 15.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.138 0.463 14.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.420 -1.233 15.361 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.171 -1.452 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.896 -2.685 13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.594 -1.953 12.384 1.00 0.00 H new ATOM 707 N MET A 46 2.515 -2.873 10.355 1.00 0.00 N ATOM 708 CA MET A 46 1.255 -3.239 9.717 1.00 0.00 C ATOM 709 C MET A 46 0.547 -4.338 10.503 1.00 0.00 C ATOM 710 O MET A 46 1.163 -5.027 11.316 1.00 0.00 O ATOM 711 CB MET A 46 1.502 -3.701 8.280 1.00 0.00 C ATOM 712 CG MET A 46 2.358 -2.740 7.471 1.00 0.00 C ATOM 713 SD MET A 46 1.994 -2.803 5.706 1.00 0.00 S ATOM 714 CE MET A 46 2.306 -1.103 5.236 1.00 0.00 C ATOM 0 H MET A 46 3.065 -3.665 10.688 1.00 0.00 H new ATOM 0 HA MET A 46 0.614 -2.357 9.702 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.986 -4.678 8.299 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.543 -3.830 7.779 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.200 -1.725 7.835 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.410 -2.975 7.630 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.124 -0.981 4.168 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.642 -0.443 5.795 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.342 -0.848 5.459 1.00 0.00 H new ATOM 724 N GLU A 47 -0.749 -4.497 10.254 1.00 0.00 N ATOM 725 CA GLU A 47 -1.540 -5.512 10.940 1.00 0.00 C ATOM 726 C GLU A 47 -1.597 -5.236 12.439 1.00 0.00 C ATOM 727 O GLU A 47 -1.596 -6.161 13.252 1.00 0.00 O ATOM 728 CB GLU A 47 -0.953 -6.903 10.688 1.00 0.00 C ATOM 729 CG GLU A 47 -0.634 -7.174 9.227 1.00 0.00 C ATOM 730 CD GLU A 47 -1.171 -8.509 8.751 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.402 -8.710 8.816 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.362 -9.354 8.314 1.00 0.00 O ATOM 0 H GLU A 47 -1.273 -3.936 9.583 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.554 -5.476 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.043 -7.016 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.658 -7.655 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.055 -6.378 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.446 -7.149 9.084 1.00 0.00 H new ATOM 739 N ILE A 48 -1.645 -3.957 12.798 1.00 0.00 N ATOM 740 CA ILE A 48 -1.703 -3.559 14.199 1.00 0.00 C ATOM 741 C ILE A 48 -3.094 -3.058 14.571 1.00 0.00 C ATOM 742 O ILE A 48 -3.711 -2.297 13.825 1.00 0.00 O ATOM 743 CB ILE A 48 -0.671 -2.460 14.515 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.579 -2.235 16.026 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.040 -1.167 13.803 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.799 -1.824 16.493 1.00 0.00 C ATOM 0 H ILE A 48 -1.645 -3.179 12.138 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.469 -4.445 14.789 1.00 0.00 H new ATOM 0 HB ILE A 48 0.305 -2.785 14.155 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.296 -1.466 16.315 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.870 -3.151 16.540 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.302 -0.400 14.036 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.059 -1.337 12.727 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.024 -0.836 14.136 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.790 -1.682 17.574 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.518 -2.602 16.235 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.085 -0.891 16.007 1.00 0.00 H new ATOM 758 N ASP A 49 -3.581 -3.487 15.730 1.00 0.00 N ATOM 759 CA ASP A 49 -4.899 -3.079 16.203 1.00 0.00 C ATOM 760 C ASP A 49 -4.800 -1.832 17.077 1.00 0.00 C ATOM 761 O ASP A 49 -4.473 -1.915 18.262 1.00 0.00 O ATOM 762 CB ASP A 49 -5.557 -4.216 16.987 1.00 0.00 C ATOM 763 CG ASP A 49 -7.071 -4.152 16.937 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.660 -4.747 16.010 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.667 -3.508 17.826 1.00 0.00 O ATOM 0 H ASP A 49 -3.083 -4.117 16.359 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.514 -2.844 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.223 -5.172 16.584 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.228 -4.175 18.026 1.00 0.00 H new ATOM 770 N THR A 50 -5.084 -0.676 16.485 1.00 0.00 N ATOM 771 CA THR A 50 -5.026 0.587 17.208 1.00 0.00 C ATOM 772 C THR A 50 -6.188 0.715 18.187 1.00 0.00 C ATOM 773 O THR A 50 -6.107 1.454 19.168 1.00 0.00 O ATOM 774 CB THR A 50 -5.048 1.788 16.244 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.289 1.822 15.531 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.893 1.710 15.256 1.00 0.00 C ATOM 0 H THR A 50 -5.357 -0.589 15.506 1.00 0.00 H new ATOM 0 HA THR A 50 -4.087 0.591 17.761 1.00 0.00 H new ATOM 0 HB THR A 50 -4.942 2.699 16.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.295 2.590 14.922 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.929 2.569 14.585 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.948 1.714 15.800 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.973 0.792 14.674 1.00 0.00 H new ATOM 784 N SER A 51 -7.268 -0.010 17.914 1.00 0.00 N ATOM 785 CA SER A 51 -8.448 0.025 18.770 1.00 0.00 C ATOM 786 C SER A 51 -8.129 -0.524 20.158 1.00 0.00 C ATOM 787 O SER A 51 -8.732 -0.119 21.152 1.00 0.00 O ATOM 788 CB SER A 51 -9.585 -0.781 18.139 1.00 0.00 C ATOM 789 OG SER A 51 -10.652 0.065 17.746 1.00 0.00 O ATOM 0 H SER A 51 -7.350 -0.629 17.107 1.00 0.00 H new ATOM 0 HA SER A 51 -8.762 1.064 18.873 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.211 -1.327 17.273 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.948 -1.523 18.851 1.00 0.00 H new ATOM 0 HG SER A 51 -11.365 -0.473 17.344 1.00 0.00 H new ATOM 795 N PHE A 52 -7.177 -1.448 20.217 1.00 0.00 N ATOM 796 CA PHE A 52 -6.778 -2.055 21.482 1.00 0.00 C ATOM 797 C PHE A 52 -6.215 -1.004 22.435 1.00 0.00 C ATOM 798 O PHE A 52 -6.230 -1.184 23.653 1.00 0.00 O ATOM 799 CB PHE A 52 -5.736 -3.150 21.240 1.00 0.00 C ATOM 800 CG PHE A 52 -5.850 -4.305 22.194 1.00 0.00 C ATOM 801 CD1 PHE A 52 -6.766 -5.320 21.967 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.041 -4.376 23.316 1.00 0.00 C ATOM 803 CE1 PHE A 52 -6.872 -6.385 22.842 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.143 -5.438 24.194 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.060 -6.443 23.958 1.00 0.00 C ATOM 0 H PHE A 52 -6.667 -1.793 19.404 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.662 -2.499 21.939 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.839 -3.520 20.220 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.739 -2.717 21.323 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.404 -5.278 21.097 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.322 -3.593 23.507 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.589 -7.171 22.653 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.506 -5.482 25.065 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.142 -7.273 24.645 1.00 0.00 H new ATOM 815 N PHE A 53 -5.720 0.093 21.871 1.00 0.00 N ATOM 816 CA PHE A 53 -5.152 1.172 22.670 1.00 0.00 C ATOM 817 C PHE A 53 -5.974 2.449 22.522 1.00 0.00 C ATOM 818 O PHE A 53 -5.472 3.551 22.743 1.00 0.00 O ATOM 819 CB PHE A 53 -3.703 1.434 22.254 1.00 0.00 C ATOM 820 CG PHE A 53 -2.886 0.182 22.107 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.878 -0.519 20.912 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.125 -0.292 23.163 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.128 -1.672 20.774 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.372 -1.444 23.031 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.373 -2.134 21.834 1.00 0.00 C ATOM 0 H PHE A 53 -5.701 0.258 20.865 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.173 0.866 23.716 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.697 1.975 21.308 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.232 2.081 22.994 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.464 -0.161 20.079 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.120 0.245 24.100 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.133 -2.211 19.838 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.784 -1.804 23.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.784 -3.033 21.727 1.00 0.00 H new ATOM 835 N GLN A 54 -7.239 2.291 22.147 1.00 0.00 N ATOM 836 CA GLN A 54 -8.130 3.432 21.968 1.00 0.00 C ATOM 837 C GLN A 54 -8.380 4.141 23.295 1.00 0.00 C ATOM 838 O GLN A 54 -8.694 5.330 23.325 1.00 0.00 O ATOM 839 CB GLN A 54 -9.459 2.977 21.362 1.00 0.00 C ATOM 840 CG GLN A 54 -10.336 2.201 22.331 1.00 0.00 C ATOM 841 CD GLN A 54 -11.688 1.850 21.741 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.064 2.349 20.680 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.427 0.985 22.427 1.00 0.00 N ATOM 0 H GLN A 54 -7.670 1.385 21.961 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.649 4.134 21.287 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.006 3.851 21.010 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.257 2.355 20.490 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.823 1.285 22.626 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.481 2.791 23.236 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.076 0.596 23.302 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.345 0.710 22.079 1.00 0.00 H new ATOM 852 N ASN A 55 -8.237 3.402 24.391 1.00 0.00 N ATOM 853 CA ASN A 55 -8.448 3.961 25.721 1.00 0.00 C ATOM 854 C ASN A 55 -7.488 3.339 26.731 1.00 0.00 C ATOM 855 O ASN A 55 -7.810 3.211 27.912 1.00 0.00 O ATOM 856 CB ASN A 55 -9.894 3.735 26.169 1.00 0.00 C ATOM 857 CG ASN A 55 -10.159 2.294 26.560 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.721 1.364 25.881 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.880 2.102 27.659 1.00 0.00 N ATOM 0 H ASN A 55 -7.976 2.416 24.384 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.253 5.032 25.673 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.115 4.385 27.016 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.570 4.020 25.363 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.091 1.154 27.971 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.222 2.902 28.191 1.00 0.00 H new ATOM 866 N MET A 56 -6.308 2.954 26.257 1.00 0.00 N ATOM 867 CA MET A 56 -5.300 2.347 27.119 1.00 0.00 C ATOM 868 C MET A 56 -4.314 3.395 27.625 1.00 0.00 C ATOM 869 O MET A 56 -3.390 3.787 26.913 1.00 0.00 O ATOM 870 CB MET A 56 -4.550 1.246 26.366 1.00 0.00 C ATOM 871 CG MET A 56 -3.482 0.558 27.200 1.00 0.00 C ATOM 872 SD MET A 56 -3.830 -1.190 27.470 1.00 0.00 S ATOM 873 CE MET A 56 -3.849 -1.795 25.784 1.00 0.00 C ATOM 0 H MET A 56 -6.026 3.051 25.282 1.00 0.00 H new ATOM 0 HA MET A 56 -5.809 1.909 27.977 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.266 0.500 26.021 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.085 1.676 25.479 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.517 0.660 26.703 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.399 1.061 28.163 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.385 -2.743 25.744 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.347 -1.068 25.142 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.826 -1.942 25.439 1.00 0.00 H new ATOM 883 N ASP A 57 -4.518 3.846 28.858 1.00 0.00 N ATOM 884 CA ASP A 57 -3.647 4.849 29.459 1.00 0.00 C ATOM 885 C ASP A 57 -2.206 4.350 29.521 1.00 0.00 C ATOM 886 O ASP A 57 -1.958 3.150 29.629 1.00 0.00 O ATOM 887 CB ASP A 57 -4.137 5.205 30.864 1.00 0.00 C ATOM 888 CG ASP A 57 -4.557 3.983 31.658 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.675 3.335 32.259 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.767 3.675 31.677 1.00 0.00 O ATOM 0 H ASP A 57 -5.279 3.533 29.461 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.677 5.742 28.835 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.345 5.728 31.400 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.979 5.893 30.788 1.00 0.00 H new ATOM 895 N GLY A 58 -1.260 5.281 29.451 1.00 0.00 N ATOM 896 CA GLY A 58 0.144 4.917 29.498 1.00 0.00 C ATOM 897 C GLY A 58 0.439 3.884 30.569 1.00 0.00 C ATOM 898 O GLY A 58 1.295 3.018 30.387 1.00 0.00 O ATOM 0 H GLY A 58 -1.441 6.281 29.363 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.448 4.526 28.527 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.742 5.809 29.684 1.00 0.00 H new ATOM 902 N LYS A 59 -0.270 3.976 31.688 1.00 0.00 N ATOM 903 CA LYS A 59 -0.081 3.043 32.793 1.00 0.00 C ATOM 904 C LYS A 59 -0.492 1.631 32.389 1.00 0.00 C ATOM 905 O LYS A 59 0.250 0.674 32.605 1.00 0.00 O ATOM 906 CB LYS A 59 -0.891 3.493 34.011 1.00 0.00 C ATOM 907 CG LYS A 59 -0.462 4.842 34.563 1.00 0.00 C ATOM 908 CD LYS A 59 0.510 4.687 35.721 1.00 0.00 C ATOM 909 CE LYS A 59 1.831 4.088 35.264 1.00 0.00 C ATOM 910 NZ LYS A 59 1.861 2.610 35.444 1.00 0.00 N ATOM 0 H LYS A 59 -0.982 4.688 31.854 1.00 0.00 H new ATOM 0 HA LYS A 59 0.978 3.034 33.052 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.945 3.540 33.738 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.798 2.743 34.796 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.004 5.428 33.771 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.340 5.396 34.895 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.690 5.660 36.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.066 4.051 36.487 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.995 4.329 34.214 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.648 4.539 35.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.595 2.359 36.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.935 2.283 35.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.074 2.154 34.534 1.00 0.00 H new ATOM 924 N GLU A 60 -1.678 1.510 31.801 1.00 0.00 N ATOM 925 CA GLU A 60 -2.186 0.214 31.367 1.00 0.00 C ATOM 926 C GLU A 60 -1.433 -0.281 30.136 1.00 0.00 C ATOM 927 O GLU A 60 -1.517 -1.455 29.773 1.00 0.00 O ATOM 928 CB GLU A 60 -3.683 0.305 31.060 1.00 0.00 C ATOM 929 CG GLU A 60 -4.550 0.454 32.299 1.00 0.00 C ATOM 930 CD GLU A 60 -5.962 0.899 31.972 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.323 0.896 30.776 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.706 1.251 32.911 1.00 0.00 O ATOM 0 H GLU A 60 -2.304 2.293 31.614 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.031 -0.498 32.177 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.859 1.154 30.399 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.989 -0.590 30.518 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.586 -0.498 32.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.092 1.177 32.974 1.00 0.00 H new ATOM 939 N LEU A 61 -0.697 0.622 29.498 1.00 0.00 N ATOM 940 CA LEU A 61 0.072 0.278 28.306 1.00 0.00 C ATOM 941 C LEU A 61 1.460 -0.231 28.682 1.00 0.00 C ATOM 942 O LEU A 61 1.879 -1.303 28.243 1.00 0.00 O ATOM 943 CB LEU A 61 0.195 1.494 27.386 1.00 0.00 C ATOM 944 CG LEU A 61 1.192 1.366 26.234 1.00 0.00 C ATOM 945 CD1 LEU A 61 2.602 1.676 26.711 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.127 -0.027 25.625 1.00 0.00 C ATOM 0 H LEU A 61 -0.616 1.597 29.785 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.457 -0.517 27.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.788 1.708 26.967 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.478 2.355 27.991 1.00 0.00 H new ATOM 0 HG LEU A 61 0.924 2.090 25.465 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.298 1.580 25.877 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.639 2.694 27.099 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.881 0.977 27.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.843 -0.100 24.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.369 -0.769 26.386 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.122 -0.212 25.245 1.00 0.00 H new ATOM 958 N CYS A 62 2.167 0.542 29.499 1.00 0.00 N ATOM 959 CA CYS A 62 3.508 0.168 29.935 1.00 0.00 C ATOM 960 C CYS A 62 3.478 -1.134 30.729 1.00 0.00 C ATOM 961 O CYS A 62 4.487 -1.831 30.838 1.00 0.00 O ATOM 962 CB CYS A 62 4.120 1.283 30.785 1.00 0.00 C ATOM 963 SG CYS A 62 3.436 1.398 32.455 1.00 0.00 S ATOM 0 H CYS A 62 1.834 1.431 29.873 1.00 0.00 H new ATOM 0 HA CYS A 62 4.123 0.018 29.048 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.196 1.123 30.855 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.972 2.236 30.277 1.00 0.00 H new ATOM 0 HG CYS A 62 2.167 1.119 32.424 1.00 0.00 H new ATOM 969 N LYS A 63 2.314 -1.456 31.283 1.00 0.00 N ATOM 970 CA LYS A 63 2.151 -2.674 32.068 1.00 0.00 C ATOM 971 C LYS A 63 1.832 -3.863 31.167 1.00 0.00 C ATOM 972 O LYS A 63 1.634 -4.980 31.644 1.00 0.00 O ATOM 973 CB LYS A 63 1.039 -2.493 33.103 1.00 0.00 C ATOM 974 CG LYS A 63 -0.359 -2.657 32.530 1.00 0.00 C ATOM 975 CD LYS A 63 -1.421 -2.540 33.609 1.00 0.00 C ATOM 976 CE LYS A 63 -1.278 -3.637 34.654 1.00 0.00 C ATOM 977 NZ LYS A 63 -2.566 -4.343 34.897 1.00 0.00 N ATOM 0 H LYS A 63 1.469 -0.890 31.203 1.00 0.00 H new ATOM 0 HA LYS A 63 3.091 -2.873 32.584 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.180 -3.216 33.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.126 -1.502 33.548 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.531 -1.899 31.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.441 -3.628 32.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.346 -1.565 34.091 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.410 -2.596 33.155 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.527 -4.355 34.326 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.919 -3.204 35.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.426 -5.082 35.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.277 -3.663 35.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.896 -4.778 34.012 1.00 0.00 H new ATOM 991 N MET A 64 1.787 -3.616 29.862 1.00 0.00 N ATOM 992 CA MET A 64 1.496 -4.667 28.894 1.00 0.00 C ATOM 993 C MET A 64 2.694 -5.596 28.723 1.00 0.00 C ATOM 994 O MET A 64 3.819 -5.243 29.073 1.00 0.00 O ATOM 995 CB MET A 64 1.112 -4.057 27.545 1.00 0.00 C ATOM 996 CG MET A 64 -0.201 -3.292 27.576 1.00 0.00 C ATOM 997 SD MET A 64 -1.527 -4.152 26.707 1.00 0.00 S ATOM 998 CE MET A 64 -0.874 -4.184 25.040 1.00 0.00 C ATOM 0 H MET A 64 1.948 -2.697 29.450 1.00 0.00 H new ATOM 0 HA MET A 64 0.657 -5.251 29.272 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.907 -3.386 27.220 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.042 -4.852 26.803 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.497 -3.128 28.612 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.055 -2.309 27.127 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.679 -3.991 24.330 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.106 -3.417 24.935 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.439 -5.163 24.838 1.00 0.00 H new ATOM 1008 N ASN A 65 2.444 -6.784 28.182 1.00 0.00 N ATOM 1009 CA ASN A 65 3.502 -7.763 27.966 1.00 0.00 C ATOM 1010 C ASN A 65 3.484 -8.276 26.529 1.00 0.00 C ATOM 1011 O ASN A 65 2.609 -7.916 25.741 1.00 0.00 O ATOM 1012 CB ASN A 65 3.349 -8.934 28.939 1.00 0.00 C ATOM 1013 CG ASN A 65 2.790 -8.501 30.280 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.169 -7.460 30.817 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.883 -9.302 30.829 1.00 0.00 N ATOM 0 H ASN A 65 1.518 -7.092 27.885 1.00 0.00 H new ATOM 0 HA ASN A 65 4.458 -7.272 28.146 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.692 -9.685 28.500 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.319 -9.408 29.089 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.471 -9.064 31.731 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.598 -10.155 30.348 1.00 0.00 H new ATOM 1022 N LYS A 66 4.454 -9.119 26.195 1.00 0.00 N ATOM 1023 CA LYS A 66 4.550 -9.684 24.854 1.00 0.00 C ATOM 1024 C LYS A 66 3.224 -10.309 24.431 1.00 0.00 C ATOM 1025 O LYS A 66 2.785 -10.143 23.294 1.00 0.00 O ATOM 1026 CB LYS A 66 5.662 -10.734 24.799 1.00 0.00 C ATOM 1027 CG LYS A 66 5.953 -11.238 23.396 1.00 0.00 C ATOM 1028 CD LYS A 66 7.236 -10.639 22.844 1.00 0.00 C ATOM 1029 CE LYS A 66 7.484 -11.079 21.409 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.923 -11.369 21.159 1.00 0.00 N ATOM 0 H LYS A 66 5.186 -9.427 26.835 1.00 0.00 H new ATOM 0 HA LYS A 66 4.788 -8.876 24.162 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.573 -10.309 25.220 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.384 -11.579 25.429 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.033 -12.325 23.408 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.121 -10.987 22.738 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.179 -9.551 22.888 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.077 -10.940 23.468 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.892 -11.968 21.194 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.147 -10.299 20.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.051 -11.666 20.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.486 -10.513 21.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.239 -12.131 21.792 1.00 0.00 H new ATOM 1044 N GLU A 67 2.592 -11.026 25.354 1.00 0.00 N ATOM 1045 CA GLU A 67 1.316 -11.675 25.076 1.00 0.00 C ATOM 1046 C GLU A 67 0.219 -10.640 24.843 1.00 0.00 C ATOM 1047 O GLU A 67 -0.429 -10.631 23.796 1.00 0.00 O ATOM 1048 CB GLU A 67 0.925 -12.598 26.231 1.00 0.00 C ATOM 1049 CG GLU A 67 0.997 -14.075 25.882 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.372 -14.723 25.803 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.979 -14.957 26.869 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.836 -14.997 24.676 1.00 0.00 O ATOM 0 H GLU A 67 2.942 -11.172 26.301 1.00 0.00 H new ATOM 0 HA GLU A 67 1.430 -12.269 24.169 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.580 -12.402 27.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.089 -12.358 26.549 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.507 -14.194 24.926 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.597 -14.593 26.630 1.00 0.00 H new ATOM 1059 N ASP A 68 0.017 -9.770 25.827 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.001 -8.730 25.730 1.00 0.00 C ATOM 1061 C ASP A 68 -0.815 -7.903 24.462 1.00 0.00 C ATOM 1062 O ASP A 68 -1.785 -7.447 23.857 1.00 0.00 O ATOM 1063 CB ASP A 68 -0.949 -7.821 26.959 1.00 0.00 C ATOM 1064 CG ASP A 68 -0.805 -8.601 28.251 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.285 -9.752 28.305 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.214 -8.059 29.208 1.00 0.00 O ATOM 0 H ASP A 68 0.544 -9.764 26.700 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.977 -9.214 25.686 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.112 -7.129 26.860 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.857 -7.219 27.001 1.00 0.00 H new ATOM 1071 N PHE A 69 0.439 -7.713 24.065 1.00 0.00 N ATOM 1072 CA PHE A 69 0.753 -6.939 22.869 1.00 0.00 C ATOM 1073 C PHE A 69 0.457 -7.744 21.607 1.00 0.00 C ATOM 1074 O PHE A 69 0.001 -7.198 20.601 1.00 0.00 O ATOM 1075 CB PHE A 69 2.223 -6.513 22.883 1.00 0.00 C ATOM 1076 CG PHE A 69 2.432 -5.094 23.329 1.00 0.00 C ATOM 1077 CD1 PHE A 69 2.074 -4.037 22.508 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.985 -4.818 24.568 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.265 -2.730 22.916 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.179 -3.513 24.982 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.818 -2.468 24.155 1.00 0.00 C ATOM 0 H PHE A 69 1.254 -8.084 24.553 1.00 0.00 H new ATOM 0 HA PHE A 69 0.124 -6.049 22.867 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.780 -7.178 23.543 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.638 -6.636 21.883 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.641 -4.236 21.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.268 -5.632 25.219 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.982 -1.914 22.267 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.612 -3.312 25.951 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.968 -1.448 24.476 1.00 0.00 H new ATOM 1091 N LEU A 70 0.719 -9.045 21.667 1.00 0.00 N ATOM 1092 CA LEU A 70 0.482 -9.926 20.529 1.00 0.00 C ATOM 1093 C LEU A 70 -1.012 -10.097 20.275 1.00 0.00 C ATOM 1094 O LEU A 70 -1.424 -10.518 19.194 1.00 0.00 O ATOM 1095 CB LEU A 70 1.128 -11.291 20.773 1.00 0.00 C ATOM 1096 CG LEU A 70 2.520 -11.492 20.171 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.080 -12.850 20.564 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.471 -11.351 18.657 1.00 0.00 C ATOM 0 H LEU A 70 1.096 -9.513 22.491 1.00 0.00 H new ATOM 0 HA LEU A 70 0.932 -9.469 19.647 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.192 -11.453 21.849 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.467 -12.060 20.374 1.00 0.00 H new ATOM 0 HG LEU A 70 3.181 -10.721 20.567 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.071 -12.975 20.127 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.152 -12.914 21.650 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.420 -13.636 20.197 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.470 -11.497 18.245 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.795 -12.100 18.244 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.113 -10.355 18.396 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.820 -9.765 21.277 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.268 -9.881 21.162 1.00 0.00 C ATOM 1112 C ARG A 71 -3.859 -8.652 20.477 1.00 0.00 C ATOM 1113 O ARG A 71 -5.075 -8.535 20.331 1.00 0.00 O ATOM 1114 CB ARG A 71 -3.899 -10.060 22.544 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.584 -11.400 23.188 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.610 -11.762 24.250 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.508 -13.162 24.655 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.394 -13.767 25.439 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.441 -13.098 25.901 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.232 -15.043 25.763 1.00 0.00 N ATOM 0 H ARG A 71 -1.496 -9.413 22.178 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.489 -10.758 20.553 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.552 -9.261 23.199 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.980 -9.953 22.457 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.561 -12.176 22.423 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.591 -11.365 23.637 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.471 -11.122 25.121 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.612 -11.567 23.867 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.713 -13.705 24.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.568 -12.116 25.655 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.120 -13.565 26.503 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.427 -15.560 25.410 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.913 -15.507 26.365 1.00 0.00 H new ATOM 1134 N ALA A 72 -2.988 -7.738 20.060 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.423 -6.519 19.390 1.00 0.00 C ATOM 1136 C ALA A 72 -2.574 -6.239 18.154 1.00 0.00 C ATOM 1137 O ALA A 72 -3.085 -5.803 17.122 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.367 -5.340 20.350 1.00 0.00 C ATOM 0 H ALA A 72 -1.978 -7.819 20.175 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.454 -6.660 19.066 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.695 -4.436 19.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.022 -5.532 21.200 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.344 -5.206 20.703 1.00 0.00 H new ATOM 1144 N THR A 73 -1.274 -6.491 18.266 1.00 0.00 N ATOM 1145 CA THR A 73 -0.354 -6.265 17.159 1.00 0.00 C ATOM 1146 C THR A 73 0.412 -7.536 16.811 1.00 0.00 C ATOM 1147 O THR A 73 0.566 -8.429 17.645 1.00 0.00 O ATOM 1148 CB THR A 73 0.653 -5.146 17.485 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.281 -4.685 16.283 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.713 -5.639 18.459 1.00 0.00 C ATOM 0 H THR A 73 -0.834 -6.852 19.113 1.00 0.00 H new ATOM 0 HA THR A 73 -0.958 -5.963 16.304 1.00 0.00 H new ATOM 0 HB THR A 73 0.109 -4.323 17.949 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.611 -4.609 15.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.413 -4.832 18.674 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.235 -5.962 19.384 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.251 -6.478 18.017 1.00 0.00 H new ATOM 1158 N THR A 74 0.892 -7.613 15.573 1.00 0.00 N ATOM 1159 CA THR A 74 1.641 -8.776 15.115 1.00 0.00 C ATOM 1160 C THR A 74 2.930 -8.948 15.911 1.00 0.00 C ATOM 1161 O THR A 74 3.362 -8.036 16.617 1.00 0.00 O ATOM 1162 CB THR A 74 1.986 -8.667 13.618 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.657 -9.855 13.182 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.867 -7.456 13.352 1.00 0.00 C ATOM 0 H THR A 74 0.775 -6.883 14.870 1.00 0.00 H new ATOM 0 HA THR A 74 1.002 -9.645 15.271 1.00 0.00 H new ATOM 0 HB THR A 74 1.056 -8.550 13.062 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.871 -9.779 12.229 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.097 -7.400 12.288 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.343 -6.551 13.658 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.793 -7.548 13.919 1.00 0.00 H new ATOM 1172 N LEU A 75 3.540 -10.122 15.793 1.00 0.00 N ATOM 1173 CA LEU A 75 4.782 -10.414 16.501 1.00 0.00 C ATOM 1174 C LEU A 75 5.872 -9.416 16.123 1.00 0.00 C ATOM 1175 O LEU A 75 6.530 -8.842 16.991 1.00 0.00 O ATOM 1176 CB LEU A 75 5.247 -11.837 16.190 1.00 0.00 C ATOM 1177 CG LEU A 75 6.588 -12.253 16.796 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.565 -12.083 18.308 1.00 0.00 C ATOM 1179 CD2 LEU A 75 6.919 -13.690 16.424 1.00 0.00 C ATOM 0 H LEU A 75 3.195 -10.887 15.214 1.00 0.00 H new ATOM 0 HA LEU A 75 4.591 -10.327 17.571 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.483 -12.532 16.538 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.310 -11.949 15.108 1.00 0.00 H new ATOM 0 HG LEU A 75 7.365 -11.606 16.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.527 -12.384 18.723 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.374 -11.038 18.554 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.777 -12.705 18.732 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.877 -13.968 16.864 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.140 -14.352 16.802 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.978 -13.781 15.339 1.00 0.00 H new ATOM 1191 N TYR A 76 6.055 -9.212 14.824 1.00 0.00 N ATOM 1192 CA TYR A 76 7.065 -8.283 14.331 1.00 0.00 C ATOM 1193 C TYR A 76 6.966 -6.940 15.047 1.00 0.00 C ATOM 1194 O TYR A 76 7.955 -6.428 15.570 1.00 0.00 O ATOM 1195 CB TYR A 76 6.911 -8.083 12.822 1.00 0.00 C ATOM 1196 CG TYR A 76 8.011 -7.248 12.207 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.040 -5.869 12.375 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.021 -7.838 11.457 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.043 -5.102 11.814 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.029 -7.079 10.893 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.035 -5.711 11.075 1.00 0.00 C ATOM 1202 OH TYR A 76 11.036 -4.952 10.514 1.00 0.00 O ATOM 0 H TYR A 76 5.517 -9.677 14.093 1.00 0.00 H new ATOM 0 HA TYR A 76 8.046 -8.711 14.535 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.891 -9.058 12.335 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.951 -7.607 12.623 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.265 -5.388 12.954 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.018 -8.908 11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.050 -4.031 11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.807 -7.553 10.313 1.00 0.00 H new ATOM 0 HH TYR A 76 11.655 -5.535 10.027 1.00 0.00 H new ATOM 1212 N ASN A 77 5.763 -6.374 15.065 1.00 0.00 N ATOM 1213 CA ASN A 77 5.532 -5.090 15.717 1.00 0.00 C ATOM 1214 C ASN A 77 5.685 -5.212 17.230 1.00 0.00 C ATOM 1215 O ASN A 77 6.167 -4.294 17.893 1.00 0.00 O ATOM 1216 CB ASN A 77 4.137 -4.565 15.374 1.00 0.00 C ATOM 1217 CG ASN A 77 3.947 -4.356 13.884 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.915 -4.298 13.126 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.694 -4.243 13.458 1.00 0.00 N ATOM 0 H ASN A 77 4.934 -6.784 14.636 1.00 0.00 H new ATOM 0 HA ASN A 77 6.278 -4.385 15.351 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.388 -5.268 15.738 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.969 -3.622 15.895 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.503 -4.102 12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.922 -4.297 14.123 1.00 0.00 H new ATOM 1226 N THR A 78 5.271 -6.354 17.771 1.00 0.00 N ATOM 1227 CA THR A 78 5.360 -6.597 19.205 1.00 0.00 C ATOM 1228 C THR A 78 6.792 -6.431 19.702 1.00 0.00 C ATOM 1229 O THR A 78 7.019 -6.000 20.832 1.00 0.00 O ATOM 1230 CB THR A 78 4.864 -8.010 19.567 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.486 -8.153 19.205 1.00 0.00 O ATOM 1232 CG2 THR A 78 5.033 -8.278 21.055 1.00 0.00 C ATOM 0 H THR A 78 4.871 -7.125 17.237 1.00 0.00 H new ATOM 0 HA THR A 78 4.721 -5.860 19.691 1.00 0.00 H new ATOM 0 HB THR A 78 5.462 -8.734 19.013 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.416 -8.320 18.242 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.676 -9.281 21.287 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.087 -8.197 21.322 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.457 -7.548 21.624 1.00 0.00 H new ATOM 1240 N GLU A 79 7.753 -6.775 18.851 1.00 0.00 N ATOM 1241 CA GLU A 79 9.163 -6.663 19.206 1.00 0.00 C ATOM 1242 C GLU A 79 9.615 -5.206 19.187 1.00 0.00 C ATOM 1243 O GLU A 79 10.352 -4.761 20.067 1.00 0.00 O ATOM 1244 CB GLU A 79 10.021 -7.487 18.244 1.00 0.00 C ATOM 1245 CG GLU A 79 9.910 -8.987 18.461 1.00 0.00 C ATOM 1246 CD GLU A 79 11.220 -9.612 18.898 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.733 -9.225 19.969 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.733 -10.487 18.170 1.00 0.00 O ATOM 0 H GLU A 79 7.581 -7.133 17.912 1.00 0.00 H new ATOM 0 HA GLU A 79 9.288 -7.051 20.217 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.729 -7.254 17.220 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.064 -7.189 18.354 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.148 -9.186 19.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.576 -9.460 17.537 1.00 0.00 H new ATOM 1255 N VAL A 80 9.167 -4.466 18.177 1.00 0.00 N ATOM 1256 CA VAL A 80 9.524 -3.059 18.043 1.00 0.00 C ATOM 1257 C VAL A 80 9.007 -2.246 19.224 1.00 0.00 C ATOM 1258 O VAL A 80 9.780 -1.604 19.936 1.00 0.00 O ATOM 1259 CB VAL A 80 8.965 -2.461 16.738 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.241 -0.966 16.675 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.557 -3.172 15.530 1.00 0.00 C ATOM 0 H VAL A 80 8.556 -4.818 17.440 1.00 0.00 H new ATOM 0 HA VAL A 80 10.613 -3.009 18.020 1.00 0.00 H new ATOM 0 HB VAL A 80 7.885 -2.608 16.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.839 -0.561 15.746 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.765 -0.472 17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.317 -0.793 16.711 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.151 -2.737 14.617 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.641 -3.058 15.536 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.303 -4.231 15.571 1.00 0.00 H new ATOM 1271 N LEU A 81 7.694 -2.278 19.428 1.00 0.00 N ATOM 1272 CA LEU A 81 7.072 -1.544 20.525 1.00 0.00 C ATOM 1273 C LEU A 81 7.757 -1.861 21.850 1.00 0.00 C ATOM 1274 O LEU A 81 8.196 -0.960 22.567 1.00 0.00 O ATOM 1275 CB LEU A 81 5.584 -1.884 20.613 1.00 0.00 C ATOM 1276 CG LEU A 81 4.749 -1.568 19.371 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.372 -2.206 19.477 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.628 -0.063 19.179 1.00 0.00 C ATOM 0 H LEU A 81 7.040 -2.804 18.848 1.00 0.00 H new ATOM 0 HA LEU A 81 7.184 -0.478 20.326 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.487 -2.948 20.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.158 -1.345 21.459 1.00 0.00 H new ATOM 0 HG LEU A 81 5.255 -1.986 18.501 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.792 -1.970 18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.478 -3.287 19.566 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.858 -1.818 20.356 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.031 0.144 18.291 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.145 0.377 20.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.621 0.369 19.057 1.00 0.00 H new ATOM 1290 N LEU A 82 7.848 -3.148 22.170 1.00 0.00 N ATOM 1291 CA LEU A 82 8.482 -3.585 23.409 1.00 0.00 C ATOM 1292 C LEU A 82 9.902 -3.039 23.516 1.00 0.00 C ATOM 1293 O LEU A 82 10.313 -2.551 24.569 1.00 0.00 O ATOM 1294 CB LEU A 82 8.504 -5.113 23.482 1.00 0.00 C ATOM 1295 CG LEU A 82 7.325 -5.768 24.203 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.388 -5.482 25.695 1.00 0.00 C ATOM 1297 CD2 LEU A 82 6.007 -5.282 23.619 1.00 0.00 C ATOM 0 H LEU A 82 7.491 -3.906 21.589 1.00 0.00 H new ATOM 0 HA LEU A 82 7.899 -3.196 24.244 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.545 -5.505 22.466 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.424 -5.420 23.980 1.00 0.00 H new ATOM 0 HG LEU A 82 7.387 -6.846 24.058 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.542 -5.956 26.192 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.317 -5.880 26.103 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.350 -4.405 25.861 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.179 -5.758 24.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.935 -4.200 23.733 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.961 -5.539 22.561 1.00 0.00 H new ATOM 1309 N SER A 83 10.647 -3.122 22.418 1.00 0.00 N ATOM 1310 CA SER A 83 12.022 -2.638 22.389 1.00 0.00 C ATOM 1311 C SER A 83 12.074 -1.133 22.636 1.00 0.00 C ATOM 1312 O SER A 83 12.898 -0.647 23.411 1.00 0.00 O ATOM 1313 CB SER A 83 12.673 -2.968 21.045 1.00 0.00 C ATOM 1314 OG SER A 83 13.332 -4.222 21.091 1.00 0.00 O ATOM 0 H SER A 83 10.321 -3.520 21.537 1.00 0.00 H new ATOM 0 HA SER A 83 12.574 -3.139 23.185 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.914 -2.981 20.263 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.387 -2.188 20.782 1.00 0.00 H new ATOM 0 HG SER A 83 13.738 -4.410 20.219 1.00 0.00 H new ATOM 1320 N HIS A 84 11.186 -0.400 21.972 1.00 0.00 N ATOM 1321 CA HIS A 84 11.129 1.050 22.119 1.00 0.00 C ATOM 1322 C HIS A 84 10.789 1.437 23.555 1.00 0.00 C ATOM 1323 O HIS A 84 11.548 2.151 24.212 1.00 0.00 O ATOM 1324 CB HIS A 84 10.094 1.640 21.160 1.00 0.00 C ATOM 1325 CG HIS A 84 10.262 3.110 20.928 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.109 3.787 20.118 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.505 4.065 21.573 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.849 5.126 20.285 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.877 5.266 21.168 1.00 0.00 N flip ATOM 0 H HIS A 84 10.496 -0.786 21.327 1.00 0.00 H new ATOM 0 HA HIS A 84 12.111 1.455 21.875 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.158 1.120 20.204 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.096 1.455 21.557 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.729 3.863 22.296 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.357 5.932 19.777 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.481 6.151 21.484 1.00 0.00 H new ATOM 1337 N LEU A 85 9.644 0.964 24.035 1.00 0.00 N ATOM 1338 CA LEU A 85 9.203 1.261 25.393 1.00 0.00 C ATOM 1339 C LEU A 85 10.216 0.760 26.417 1.00 0.00 C ATOM 1340 O LEU A 85 10.384 1.354 27.482 1.00 0.00 O ATOM 1341 CB LEU A 85 7.837 0.626 25.657 1.00 0.00 C ATOM 1342 CG LEU A 85 6.758 1.560 26.206 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.769 1.935 25.113 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.037 0.911 27.379 1.00 0.00 C ATOM 0 H LEU A 85 9.004 0.373 23.504 1.00 0.00 H new ATOM 0 HA LEU A 85 9.119 2.343 25.492 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.474 0.192 24.725 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.970 -0.196 26.361 1.00 0.00 H new ATOM 0 HG LEU A 85 7.240 2.471 26.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.009 2.600 25.523 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.296 2.441 24.304 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.293 1.033 24.728 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.273 1.590 27.757 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.568 -0.016 27.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.753 0.694 28.171 1.00 0.00 H new ATOM 1356 N SER A 86 10.891 -0.337 26.086 1.00 0.00 N ATOM 1357 CA SER A 86 11.887 -0.919 26.977 1.00 0.00 C ATOM 1358 C SER A 86 12.906 0.129 27.413 1.00 0.00 C ATOM 1359 O SER A 86 13.413 0.089 28.534 1.00 0.00 O ATOM 1360 CB SER A 86 12.601 -2.084 26.287 1.00 0.00 C ATOM 1361 OG SER A 86 13.988 -2.075 26.576 1.00 0.00 O ATOM 0 H SER A 86 10.766 -0.840 25.207 1.00 0.00 H new ATOM 0 HA SER A 86 11.372 -1.290 27.863 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.164 -3.027 26.614 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.450 -2.020 25.209 1.00 0.00 H new ATOM 0 HG SER A 86 14.421 -2.830 26.125 1.00 0.00 H new ATOM 1367 N TYR A 87 13.199 1.067 26.520 1.00 0.00 N ATOM 1368 CA TYR A 87 14.159 2.126 26.810 1.00 0.00 C ATOM 1369 C TYR A 87 13.487 3.284 27.543 1.00 0.00 C ATOM 1370 O TYR A 87 13.915 3.678 28.629 1.00 0.00 O ATOM 1371 CB TYR A 87 14.801 2.630 25.516 1.00 0.00 C ATOM 1372 CG TYR A 87 15.699 3.830 25.714 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.875 3.729 26.448 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.373 5.065 25.166 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.698 4.823 26.631 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.191 6.164 25.344 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.353 6.038 26.077 1.00 0.00 C ATOM 1378 OH TYR A 87 18.171 7.129 26.257 1.00 0.00 O ATOM 0 H TYR A 87 12.786 1.116 25.589 1.00 0.00 H new ATOM 0 HA TYR A 87 14.934 1.712 27.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.381 1.822 25.069 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.015 2.888 24.807 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.150 2.779 26.882 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.464 5.167 24.591 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.608 4.727 27.205 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.922 7.117 24.912 1.00 0.00 H new ATOM 0 HH TYR A 87 17.785 7.906 25.802 1.00 0.00 H new ATOM 1388 N LEU A 88 12.433 3.824 26.941 1.00 0.00 N ATOM 1389 CA LEU A 88 11.700 4.936 27.535 1.00 0.00 C ATOM 1390 C LEU A 88 11.309 4.623 28.976 1.00 0.00 C ATOM 1391 O LEU A 88 11.242 5.517 29.820 1.00 0.00 O ATOM 1392 CB LEU A 88 10.449 5.247 26.711 1.00 0.00 C ATOM 1393 CG LEU A 88 10.673 6.045 25.426 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.361 5.185 24.377 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.353 6.583 24.896 1.00 0.00 C ATOM 0 H LEU A 88 12.067 3.510 26.042 1.00 0.00 H new ATOM 0 HA LEU A 88 12.353 5.809 27.537 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.966 4.305 26.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.751 5.799 27.341 1.00 0.00 H new ATOM 0 HG LEU A 88 11.321 6.891 25.654 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.512 5.769 23.469 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.326 4.849 24.757 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.739 4.319 24.151 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.531 7.148 23.981 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.680 5.752 24.684 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.900 7.235 25.643 1.00 0.00 H new