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 49:sc= -3.51! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.9! C(o=-9.4!,f=-11!) USER MOD Set 2.1: A 56 MET CE :methyl -157:sc= -1.21 (180deg=-2.19) USER MOD Set 2.2: A 64 MET CE :methyl -135:sc= -2.16 (180deg=-5.08!) USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.7) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 131:sc= 0.12 USER MOD Single : A 29 GLN : amide:sc= -0.888 K(o=-0.89,f=-5.4!) USER MOD Single : A 31 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3!) USER MOD Single : A 34 GLN : amide:sc= -0.227 X(o=-0.23,f=0) 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= -1.2 K(o=-1.2,f=-8.2!) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= -0.751 (180deg=-1.88!) USER MOD Single : A 62 CYS SG : rot -38:sc= -0.937! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.33) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -0.157 (180deg=-1.97) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 79:sc= 0.918 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 5.227 13.705 22.837 1.00 0.00 N ATOM 266 CA VAL A 20 4.967 13.009 24.093 1.00 0.00 C ATOM 267 C VAL A 20 6.173 13.084 25.022 1.00 0.00 C ATOM 268 O VAL A 20 7.318 13.207 24.585 1.00 0.00 O ATOM 269 CB VAL A 20 4.609 11.531 23.851 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.330 11.417 23.035 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.757 10.811 23.161 1.00 0.00 C ATOM 0 HA VAL A 20 4.119 13.508 24.563 1.00 0.00 H new ATOM 0 HB VAL A 20 4.439 11.054 24.816 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.093 10.365 22.874 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.511 11.895 23.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.468 11.909 22.072 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.487 9.768 22.998 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.961 11.287 22.202 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.647 10.861 23.788 1.00 0.00 H new ATOM 281 N PRO A 21 5.914 13.006 26.335 1.00 0.00 N ATOM 282 CA PRO A 21 6.966 13.062 27.355 1.00 0.00 C ATOM 283 C PRO A 21 7.840 11.812 27.354 1.00 0.00 C ATOM 284 O PRO A 21 7.425 10.753 26.884 1.00 0.00 O ATOM 285 CB PRO A 21 6.183 13.166 28.666 1.00 0.00 C ATOM 286 CG PRO A 21 4.861 12.547 28.370 1.00 0.00 C ATOM 287 CD PRO A 21 4.573 12.858 26.927 1.00 0.00 C ATOM 0 HA PRO A 21 7.654 13.890 27.187 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.693 12.642 29.474 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.072 14.204 28.979 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.887 11.471 28.540 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.085 12.953 29.019 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.009 12.058 26.448 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.985 13.770 26.822 1.00 0.00 H new ATOM 295 N ALA A 22 9.051 11.943 27.884 1.00 0.00 N ATOM 296 CA ALA A 22 9.983 10.823 27.947 1.00 0.00 C ATOM 297 C ALA A 22 9.337 9.609 28.605 1.00 0.00 C ATOM 298 O ALA A 22 9.098 8.592 27.954 1.00 0.00 O ATOM 299 CB ALA A 22 11.243 11.226 28.699 1.00 0.00 C ATOM 0 H ALA A 22 9.410 12.813 28.276 1.00 0.00 H new ATOM 0 HA ALA A 22 10.254 10.550 26.927 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.930 10.380 28.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.723 12.059 28.185 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.981 11.528 29.713 1.00 0.00 H new ATOM 305 N ASP A 23 9.059 9.721 29.899 1.00 0.00 N ATOM 306 CA ASP A 23 8.441 8.631 30.646 1.00 0.00 C ATOM 307 C ASP A 23 7.113 8.226 30.016 1.00 0.00 C ATOM 308 O ASP A 23 6.205 9.039 29.843 1.00 0.00 O ATOM 309 CB ASP A 23 8.224 9.042 32.103 1.00 0.00 C ATOM 310 CG ASP A 23 9.216 8.386 33.044 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.437 7.163 32.914 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.770 9.095 33.909 1.00 0.00 O ATOM 0 H ASP A 23 9.252 10.556 30.453 1.00 0.00 H new ATOM 0 HA ASP A 23 9.114 7.774 30.615 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.309 10.125 32.188 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.211 8.777 32.405 1.00 0.00 H new ATOM 317 N PRO A 24 6.995 6.937 29.661 1.00 0.00 N ATOM 318 CA PRO A 24 5.781 6.394 29.044 1.00 0.00 C ATOM 319 C PRO A 24 4.611 6.335 30.020 1.00 0.00 C ATOM 320 O PRO A 24 3.456 6.517 29.632 1.00 0.00 O ATOM 321 CB PRO A 24 6.198 4.983 28.623 1.00 0.00 C ATOM 322 CG PRO A 24 7.312 4.626 29.546 1.00 0.00 C ATOM 323 CD PRO A 24 8.036 5.911 29.837 1.00 0.00 C ATOM 0 HA PRO A 24 5.431 7.014 28.219 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.369 4.282 28.714 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.523 4.960 27.583 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.930 4.177 30.463 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.980 3.897 29.088 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.444 5.922 30.848 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.871 6.065 29.154 1.00 0.00 H new ATOM 331 N THR A 25 4.916 6.081 31.288 1.00 0.00 N ATOM 332 CA THR A 25 3.889 5.997 32.319 1.00 0.00 C ATOM 333 C THR A 25 3.148 7.321 32.466 1.00 0.00 C ATOM 334 O THR A 25 2.058 7.374 33.037 1.00 0.00 O ATOM 335 CB THR A 25 4.492 5.605 33.682 1.00 0.00 C ATOM 336 OG1 THR A 25 5.600 6.459 33.991 1.00 0.00 O ATOM 337 CG2 THR A 25 4.950 4.155 33.674 1.00 0.00 C ATOM 0 H THR A 25 5.866 5.930 31.626 1.00 0.00 H new ATOM 0 HA THR A 25 3.188 5.224 32.004 1.00 0.00 H new ATOM 0 HB THR A 25 3.720 5.721 34.443 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.977 6.205 34.859 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.372 3.901 34.646 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.099 3.506 33.467 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.708 4.017 32.903 1.00 0.00 H new ATOM 345 N LEU A 26 3.745 8.388 31.947 1.00 0.00 N ATOM 346 CA LEU A 26 3.141 9.714 32.020 1.00 0.00 C ATOM 347 C LEU A 26 2.258 9.977 30.804 1.00 0.00 C ATOM 348 O LEU A 26 1.707 11.067 30.649 1.00 0.00 O ATOM 349 CB LEU A 26 4.227 10.787 32.117 1.00 0.00 C ATOM 350 CG LEU A 26 5.166 10.684 33.320 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.229 11.771 33.261 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.380 10.773 34.619 1.00 0.00 C ATOM 0 H LEU A 26 4.647 8.361 31.471 1.00 0.00 H new ATOM 0 HA LEU A 26 2.519 9.754 32.914 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.828 10.751 31.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.744 11.764 32.141 1.00 0.00 H new ATOM 0 HG LEU A 26 5.664 9.715 33.287 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.888 11.683 34.125 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.812 11.661 32.347 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.749 12.750 33.269 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.064 10.698 35.464 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.854 11.727 34.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.657 9.958 34.664 1.00 0.00 H new ATOM 364 N TRP A 27 2.126 8.972 29.947 1.00 0.00 N ATOM 365 CA TRP A 27 1.308 9.094 28.746 1.00 0.00 C ATOM 366 C TRP A 27 -0.174 8.972 29.082 1.00 0.00 C ATOM 367 O TRP A 27 -0.585 8.063 29.805 1.00 0.00 O ATOM 368 CB TRP A 27 1.701 8.026 27.724 1.00 0.00 C ATOM 369 CG TRP A 27 3.037 8.274 27.090 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.794 9.406 27.190 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.771 7.370 26.257 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.955 9.260 26.469 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.965 8.019 25.888 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.537 6.074 25.789 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.919 7.417 25.073 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.484 5.477 24.980 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.664 6.148 24.629 1.00 0.00 C ATOM 0 H TRP A 27 2.575 8.063 30.061 1.00 0.00 H new ATOM 0 HA TRP A 27 1.484 10.080 28.316 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.714 7.052 28.213 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.940 7.981 26.945 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.521 10.286 27.753 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.690 9.962 26.381 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.632 5.549 26.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.828 7.933 24.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.313 4.476 24.612 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.386 5.654 23.996 1.00 0.00 H new ATOM 388 N THR A 28 -0.975 9.892 28.554 1.00 0.00 N ATOM 389 CA THR A 28 -2.411 9.888 28.799 1.00 0.00 C ATOM 390 C THR A 28 -3.120 8.884 27.897 1.00 0.00 C ATOM 391 O THR A 28 -2.484 8.197 27.099 1.00 0.00 O ATOM 392 CB THR A 28 -3.024 11.283 28.576 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.059 11.585 27.176 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.224 12.349 29.310 1.00 0.00 C ATOM 0 H THR A 28 -0.652 10.650 27.953 1.00 0.00 H new ATOM 0 HA THR A 28 -2.552 9.600 29.841 1.00 0.00 H new ATOM 0 HB THR A 28 -4.040 11.277 28.971 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.953 11.904 26.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.676 13.326 29.138 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.224 12.133 30.378 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.199 12.353 28.940 1.00 0.00 H new ATOM 402 N GLN A 29 -4.440 8.805 28.029 1.00 0.00 N ATOM 403 CA GLN A 29 -5.235 7.884 27.225 1.00 0.00 C ATOM 404 C GLN A 29 -5.117 8.217 25.741 1.00 0.00 C ATOM 405 O GLN A 29 -5.435 7.393 24.884 1.00 0.00 O ATOM 406 CB GLN A 29 -6.702 7.933 27.656 1.00 0.00 C ATOM 407 CG GLN A 29 -7.290 6.565 27.964 1.00 0.00 C ATOM 408 CD GLN A 29 -8.779 6.621 28.243 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.594 6.218 27.412 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.143 7.121 29.418 1.00 0.00 N ATOM 0 H GLN A 29 -4.982 9.368 28.685 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.851 6.877 27.385 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.792 8.565 28.539 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.289 8.403 26.867 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.106 5.897 27.123 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.778 6.139 28.827 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.434 7.443 30.077 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.132 7.183 29.662 1.00 0.00 H new ATOM 419 N GLU A 30 -4.658 9.429 25.446 1.00 0.00 N ATOM 420 CA GLU A 30 -4.500 9.870 24.065 1.00 0.00 C ATOM 421 C GLU A 30 -3.068 9.650 23.584 1.00 0.00 C ATOM 422 O GLU A 30 -2.841 9.189 22.465 1.00 0.00 O ATOM 423 CB GLU A 30 -4.873 11.348 23.932 1.00 0.00 C ATOM 424 CG GLU A 30 -4.591 11.926 22.555 1.00 0.00 C ATOM 425 CD GLU A 30 -5.590 12.995 22.156 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.054 13.735 23.048 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.907 13.091 20.952 1.00 0.00 O ATOM 0 H GLU A 30 -4.389 10.122 26.144 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.169 9.277 23.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.933 11.468 24.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.322 11.922 24.677 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.587 12.349 22.541 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.609 11.124 21.817 1.00 0.00 H new ATOM 434 N HIS A 31 -2.106 9.984 24.438 1.00 0.00 N ATOM 435 CA HIS A 31 -0.696 9.823 24.101 1.00 0.00 C ATOM 436 C HIS A 31 -0.412 8.406 23.612 1.00 0.00 C ATOM 437 O HIS A 31 0.181 8.212 22.550 1.00 0.00 O ATOM 438 CB HIS A 31 0.180 10.142 25.313 1.00 0.00 C ATOM 439 CG HIS A 31 0.505 11.597 25.452 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.817 12.187 26.659 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.567 12.582 24.526 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.055 13.472 26.470 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.911 13.738 25.184 1.00 0.00 N ATOM 0 H HIS A 31 -2.277 10.367 25.368 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.459 10.520 23.297 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.327 9.804 26.216 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.109 9.576 25.238 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.381 12.479 23.467 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.322 14.184 27.236 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.035 14.653 24.750 1.00 0.00 H new ATOM 451 N VAL A 32 -0.839 7.419 24.393 1.00 0.00 N ATOM 452 CA VAL A 32 -0.631 6.020 24.039 1.00 0.00 C ATOM 453 C VAL A 32 -1.104 5.736 22.618 1.00 0.00 C ATOM 454 O VAL A 32 -0.570 4.860 21.938 1.00 0.00 O ATOM 455 CB VAL A 32 -1.368 5.080 25.011 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.261 3.637 24.543 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.818 5.234 26.421 1.00 0.00 C ATOM 0 H VAL A 32 -1.331 7.562 25.275 1.00 0.00 H new ATOM 0 HA VAL A 32 0.441 5.833 24.106 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.423 5.355 25.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.788 2.988 25.242 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.707 3.542 23.553 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.212 3.346 24.498 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.350 4.562 27.095 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.244 4.987 26.426 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.953 6.263 26.754 1.00 0.00 H new ATOM 467 N ARG A 33 -2.110 6.484 22.174 1.00 0.00 N ATOM 468 CA ARG A 33 -2.656 6.313 20.834 1.00 0.00 C ATOM 469 C ARG A 33 -1.756 6.972 19.792 1.00 0.00 C ATOM 470 O ARG A 33 -1.325 6.328 18.836 1.00 0.00 O ATOM 471 CB ARG A 33 -4.064 6.905 20.754 1.00 0.00 C ATOM 472 CG ARG A 33 -4.944 6.544 21.940 1.00 0.00 C ATOM 473 CD ARG A 33 -6.340 7.131 21.797 1.00 0.00 C ATOM 474 NE ARG A 33 -6.305 8.538 21.408 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.360 9.199 20.946 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.527 8.584 20.817 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.249 10.479 20.613 1.00 0.00 N ATOM 0 H ARG A 33 -2.563 7.214 22.724 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.706 5.245 20.623 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.989 7.990 20.685 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.543 6.559 19.838 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.011 5.460 22.028 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.486 6.910 22.859 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.898 6.563 21.052 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.874 7.029 22.741 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.422 9.041 21.496 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.616 7.601 21.073 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.336 9.094 20.462 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.353 10.956 20.712 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.060 10.986 20.258 1.00 0.00 H new ATOM 491 N GLN A 34 -1.479 8.257 19.985 1.00 0.00 N ATOM 492 CA GLN A 34 -0.632 9.002 19.061 1.00 0.00 C ATOM 493 C GLN A 34 0.702 8.294 18.853 1.00 0.00 C ATOM 494 O GLN A 34 1.168 8.146 17.723 1.00 0.00 O ATOM 495 CB GLN A 34 -0.394 10.420 19.585 1.00 0.00 C ATOM 496 CG GLN A 34 -1.493 11.400 19.209 1.00 0.00 C ATOM 497 CD GLN A 34 -1.282 12.774 19.815 1.00 0.00 C ATOM 498 OE1 GLN A 34 -1.325 13.787 19.116 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.053 12.815 21.123 1.00 0.00 N ATOM 0 H GLN A 34 -1.828 8.804 20.772 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.146 9.058 18.101 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.304 10.387 20.671 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.557 10.787 19.198 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.540 11.489 18.124 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.454 11.006 19.538 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.026 11.950 21.663 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.904 13.711 21.587 1.00 0.00 H new ATOM 508 N TRP A 35 1.311 7.857 19.949 1.00 0.00 N ATOM 509 CA TRP A 35 2.593 7.164 19.886 1.00 0.00 C ATOM 510 C TRP A 35 2.505 5.938 18.984 1.00 0.00 C ATOM 511 O TRP A 35 3.432 5.642 18.229 1.00 0.00 O ATOM 512 CB TRP A 35 3.041 6.749 21.288 1.00 0.00 C ATOM 513 CG TRP A 35 4.224 5.828 21.286 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.518 6.158 21.003 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.219 4.427 21.579 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.319 5.046 21.102 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.546 3.971 21.455 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.224 3.513 21.935 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.901 2.642 21.674 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.577 2.194 22.152 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.906 1.769 22.021 1.00 0.00 C ATOM 0 H TRP A 35 0.938 7.970 20.892 1.00 0.00 H new ATOM 0 HA TRP A 35 3.328 7.850 19.465 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.286 7.642 21.862 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.210 6.261 21.797 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.862 7.148 20.740 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.326 5.024 20.939 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.197 3.831 22.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.925 2.312 21.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.816 1.479 22.427 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.150 0.732 22.197 1.00 0.00 H new ATOM 532 N LEU A 36 1.386 5.227 19.066 1.00 0.00 N ATOM 533 CA LEU A 36 1.177 4.032 18.256 1.00 0.00 C ATOM 534 C LEU A 36 1.195 4.372 16.769 1.00 0.00 C ATOM 535 O LEU A 36 2.032 3.872 16.019 1.00 0.00 O ATOM 536 CB LEU A 36 -0.152 3.369 18.623 1.00 0.00 C ATOM 537 CG LEU A 36 -0.136 1.844 18.726 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.718 1.397 19.902 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.552 1.303 18.856 1.00 0.00 C ATOM 0 H LEU A 36 0.609 5.457 19.685 1.00 0.00 H new ATOM 0 HA LEU A 36 1.991 3.337 18.461 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.485 3.774 19.578 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.895 3.655 17.879 1.00 0.00 H new ATOM 0 HG LEU A 36 0.302 1.442 17.812 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.717 0.309 19.959 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.739 1.753 19.766 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.310 1.809 20.825 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.521 0.216 18.928 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.017 1.713 19.752 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.134 1.592 17.981 1.00 0.00 H new ATOM 551 N GLU A 37 0.266 5.227 16.352 1.00 0.00 N ATOM 552 CA GLU A 37 0.178 5.635 14.954 1.00 0.00 C ATOM 553 C GLU A 37 1.528 6.132 14.446 1.00 0.00 C ATOM 554 O GLU A 37 1.838 6.015 13.261 1.00 0.00 O ATOM 555 CB GLU A 37 -0.878 6.729 14.785 1.00 0.00 C ATOM 556 CG GLU A 37 -2.228 6.370 15.384 1.00 0.00 C ATOM 557 CD GLU A 37 -3.386 6.980 14.618 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.495 8.224 14.598 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.183 6.213 14.039 1.00 0.00 O ATOM 0 H GLU A 37 -0.435 5.650 16.961 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.113 4.765 14.366 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.516 7.646 15.250 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.005 6.938 13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.338 5.286 15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.264 6.708 16.420 1.00 0.00 H new ATOM 566 N TRP A 38 2.325 6.688 15.351 1.00 0.00 N ATOM 567 CA TRP A 38 3.642 7.204 14.995 1.00 0.00 C ATOM 568 C TRP A 38 4.603 6.066 14.670 1.00 0.00 C ATOM 569 O TRP A 38 5.101 5.963 13.549 1.00 0.00 O ATOM 570 CB TRP A 38 4.205 8.054 16.135 1.00 0.00 C ATOM 571 CG TRP A 38 5.657 8.385 15.968 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.212 9.177 15.003 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.739 7.932 16.789 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.574 9.242 15.175 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.922 8.488 16.264 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.823 7.112 17.918 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.171 8.249 16.829 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.064 6.875 18.477 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.225 7.442 17.934 1.00 0.00 C ATOM 0 H TRP A 38 2.083 6.793 16.336 1.00 0.00 H new ATOM 0 HA TRP A 38 3.533 7.827 14.107 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.634 8.980 16.204 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.067 7.523 17.077 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.662 9.678 14.220 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.221 9.767 14.587 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.934 6.672 18.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.066 8.685 16.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.141 6.241 19.348 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.180 7.239 18.396 1.00 0.00 H new ATOM 590 N ALA A 39 4.861 5.215 15.657 1.00 0.00 N ATOM 591 CA ALA A 39 5.761 4.083 15.475 1.00 0.00 C ATOM 592 C ALA A 39 5.378 3.270 14.243 1.00 0.00 C ATOM 593 O ALA A 39 6.234 2.664 13.598 1.00 0.00 O ATOM 594 CB ALA A 39 5.757 3.201 16.715 1.00 0.00 C ATOM 0 H ALA A 39 4.459 5.288 16.592 1.00 0.00 H new ATOM 0 HA ALA A 39 6.768 4.471 15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.433 2.360 16.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.086 3.782 17.576 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.748 2.828 16.893 1.00 0.00 H new ATOM 600 N ILE A 40 4.089 3.261 13.923 1.00 0.00 N ATOM 601 CA ILE A 40 3.594 2.522 12.768 1.00 0.00 C ATOM 602 C ILE A 40 4.034 3.180 11.465 1.00 0.00 C ATOM 603 O ILE A 40 4.532 2.513 10.557 1.00 0.00 O ATOM 604 CB ILE A 40 2.057 2.417 12.784 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.587 1.687 14.043 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.563 1.703 11.535 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.194 2.080 14.485 1.00 0.00 C ATOM 0 H ILE A 40 3.368 3.757 14.447 1.00 0.00 H new ATOM 0 HA ILE A 40 4.019 1.520 12.828 1.00 0.00 H new ATOM 0 HB ILE A 40 1.638 3.423 12.793 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.612 0.613 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.287 1.889 14.853 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.475 1.636 11.560 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.872 2.261 10.651 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.987 0.700 11.498 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.073 1.523 15.383 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.168 3.148 14.699 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.517 1.852 13.691 1.00 0.00 H new ATOM 619 N LYS A 41 3.850 4.493 11.380 1.00 0.00 N ATOM 620 CA LYS A 41 4.231 5.244 10.189 1.00 0.00 C ATOM 621 C LYS A 41 5.745 5.420 10.118 1.00 0.00 C ATOM 622 O LYS A 41 6.295 5.717 9.058 1.00 0.00 O ATOM 623 CB LYS A 41 3.547 6.612 10.183 1.00 0.00 C ATOM 624 CG LYS A 41 3.978 7.513 11.328 1.00 0.00 C ATOM 625 CD LYS A 41 3.459 8.930 11.149 1.00 0.00 C ATOM 626 CE LYS A 41 4.295 9.705 10.142 1.00 0.00 C ATOM 627 NZ LYS A 41 3.474 10.200 9.003 1.00 0.00 N ATOM 0 H LYS A 41 3.439 5.060 12.122 1.00 0.00 H new ATOM 0 HA LYS A 41 3.907 4.679 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.761 7.112 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.467 6.469 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.611 7.106 12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.066 7.528 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.422 8.900 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.471 9.447 12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.772 10.549 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.093 9.066 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.080 10.723 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.039 9.393 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.728 10.831 9.361 1.00 0.00 H new ATOM 641 N GLU A 42 6.412 5.234 11.253 1.00 0.00 N ATOM 642 CA GLU A 42 7.862 5.372 11.318 1.00 0.00 C ATOM 643 C GLU A 42 8.550 4.055 10.972 1.00 0.00 C ATOM 644 O GLU A 42 9.443 4.012 10.125 1.00 0.00 O ATOM 645 CB GLU A 42 8.291 5.833 12.712 1.00 0.00 C ATOM 646 CG GLU A 42 9.797 5.929 12.885 1.00 0.00 C ATOM 647 CD GLU A 42 10.260 7.338 13.201 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.641 8.295 12.690 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.241 7.484 13.960 1.00 0.00 O ATOM 0 H GLU A 42 5.971 4.988 12.139 1.00 0.00 H new ATOM 0 HA GLU A 42 8.163 6.122 10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.848 6.808 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.892 5.140 13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.110 5.260 13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.286 5.586 11.973 1.00 0.00 H new ATOM 656 N TYR A 43 8.128 2.982 11.632 1.00 0.00 N ATOM 657 CA TYR A 43 8.705 1.664 11.397 1.00 0.00 C ATOM 658 C TYR A 43 7.927 0.912 10.322 1.00 0.00 C ATOM 659 O TYR A 43 8.146 -0.278 10.098 1.00 0.00 O ATOM 660 CB TYR A 43 8.719 0.852 12.694 1.00 0.00 C ATOM 661 CG TYR A 43 9.235 1.625 13.887 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.439 2.315 13.824 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.518 1.664 15.076 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.915 3.022 14.911 1.00 0.00 C ATOM 665 CE2 TYR A 43 8.985 2.370 16.168 1.00 0.00 C ATOM 666 CZ TYR A 43 10.184 3.047 16.081 1.00 0.00 C ATOM 667 OH TYR A 43 10.653 3.749 17.167 1.00 0.00 O ATOM 0 H TYR A 43 7.388 2.999 12.334 1.00 0.00 H new ATOM 0 HA TYR A 43 9.729 1.801 11.050 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.708 0.505 12.906 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.337 -0.034 12.551 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.013 2.298 12.909 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.580 1.134 15.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.854 3.552 14.846 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.415 2.392 17.085 1.00 0.00 H new ATOM 0 HH TYR A 43 10.019 3.665 17.909 1.00 0.00 H new ATOM 677 N SER A 44 7.016 1.618 9.658 1.00 0.00 N ATOM 678 CA SER A 44 6.202 1.018 8.607 1.00 0.00 C ATOM 679 C SER A 44 5.535 -0.262 9.101 1.00 0.00 C ATOM 680 O SER A 44 5.570 -1.294 8.428 1.00 0.00 O ATOM 681 CB SER A 44 7.060 0.718 7.376 1.00 0.00 C ATOM 682 OG SER A 44 7.809 1.856 6.987 1.00 0.00 O ATOM 0 H SER A 44 6.824 2.605 9.829 1.00 0.00 H new ATOM 0 HA SER A 44 5.424 1.730 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.736 -0.109 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.421 0.400 6.552 1.00 0.00 H new ATOM 0 HG SER A 44 8.350 1.638 6.200 1.00 0.00 H new ATOM 688 N LEU A 45 4.928 -0.189 10.280 1.00 0.00 N ATOM 689 CA LEU A 45 4.252 -1.341 10.866 1.00 0.00 C ATOM 690 C LEU A 45 2.886 -1.556 10.224 1.00 0.00 C ATOM 691 O LEU A 45 2.250 -0.607 9.764 1.00 0.00 O ATOM 692 CB LEU A 45 4.095 -1.152 12.376 1.00 0.00 C ATOM 693 CG LEU A 45 5.370 -0.801 13.144 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.077 -0.667 14.631 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.445 -1.851 12.903 1.00 0.00 C ATOM 0 H LEU A 45 4.890 0.656 10.849 1.00 0.00 H new ATOM 0 HA LEU A 45 4.864 -2.224 10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.362 -0.364 12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.683 -2.069 12.796 1.00 0.00 H new ATOM 0 HG LEU A 45 5.739 0.157 12.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.996 -0.417 15.162 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.341 0.122 14.787 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.684 -1.610 15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.345 -1.584 13.457 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.086 -2.823 13.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.675 -1.898 11.839 1.00 0.00 H new ATOM 707 N MET A 46 2.439 -2.807 10.198 1.00 0.00 N ATOM 708 CA MET A 46 1.146 -3.145 9.615 1.00 0.00 C ATOM 709 C MET A 46 0.476 -4.272 10.395 1.00 0.00 C ATOM 710 O MET A 46 1.111 -4.932 11.217 1.00 0.00 O ATOM 711 CB MET A 46 1.313 -3.551 8.150 1.00 0.00 C ATOM 712 CG MET A 46 1.993 -2.492 7.299 1.00 0.00 C ATOM 713 SD MET A 46 1.459 -2.535 5.577 1.00 0.00 S ATOM 714 CE MET A 46 2.584 -1.350 4.844 1.00 0.00 C ATOM 0 H MET A 46 2.953 -3.604 10.574 1.00 0.00 H new ATOM 0 HA MET A 46 0.509 -2.262 9.669 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.893 -4.472 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.332 -3.769 7.728 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.783 -1.507 7.716 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.073 -2.634 7.344 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.378 -1.265 3.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.448 -0.378 5.318 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.611 -1.685 4.990 1.00 0.00 H new ATOM 724 N GLU A 47 -0.809 -4.486 10.131 1.00 0.00 N ATOM 725 CA GLU A 47 -1.564 -5.533 10.809 1.00 0.00 C ATOM 726 C GLU A 47 -1.650 -5.257 12.308 1.00 0.00 C ATOM 727 O GLU A 47 -1.713 -6.183 13.117 1.00 0.00 O ATOM 728 CB GLU A 47 -0.916 -6.898 10.567 1.00 0.00 C ATOM 729 CG GLU A 47 -0.605 -7.173 9.106 1.00 0.00 C ATOM 730 CD GLU A 47 -1.132 -8.517 8.641 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.966 -9.508 9.383 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.709 -8.578 7.535 1.00 0.00 O ATOM 0 H GLU A 47 -1.349 -3.948 9.453 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.574 -5.541 10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.007 -6.960 11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.580 -7.677 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.039 -6.384 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.474 -7.138 8.955 1.00 0.00 H new ATOM 739 N ILE A 48 -1.653 -3.978 12.669 1.00 0.00 N ATOM 740 CA ILE A 48 -1.732 -3.581 14.069 1.00 0.00 C ATOM 741 C ILE A 48 -3.143 -3.134 14.435 1.00 0.00 C ATOM 742 O ILE A 48 -3.887 -2.638 13.588 1.00 0.00 O ATOM 743 CB ILE A 48 -0.746 -2.440 14.387 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.661 -2.217 15.898 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.171 -1.161 13.680 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.726 -1.849 16.377 1.00 0.00 C ATOM 0 H ILE A 48 -1.602 -3.200 12.012 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.466 -4.457 14.661 1.00 0.00 H new ATOM 0 HB ILE A 48 0.243 -2.721 14.024 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.356 -1.426 16.180 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.985 -3.123 16.410 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.465 -0.364 13.914 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.185 -1.328 12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.167 -0.873 14.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.712 -1.706 17.457 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.422 -2.650 16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.045 -0.926 15.893 1.00 0.00 H new ATOM 758 N ASP A 49 -3.505 -3.313 15.700 1.00 0.00 N ATOM 759 CA ASP A 49 -4.826 -2.926 16.180 1.00 0.00 C ATOM 760 C ASP A 49 -4.738 -1.707 17.092 1.00 0.00 C ATOM 761 O ASP A 49 -4.580 -1.836 18.307 1.00 0.00 O ATOM 762 CB ASP A 49 -5.483 -4.089 16.925 1.00 0.00 C ATOM 763 CG ASP A 49 -6.992 -3.958 16.990 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.475 -2.939 17.527 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.689 -4.873 16.504 1.00 0.00 O ATOM 0 H ASP A 49 -2.902 -3.724 16.412 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.437 -2.667 15.315 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.224 -5.025 16.431 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.082 -4.141 17.937 1.00 0.00 H new ATOM 770 N THR A 50 -4.840 -0.521 16.499 1.00 0.00 N ATOM 771 CA THR A 50 -4.770 0.721 17.258 1.00 0.00 C ATOM 772 C THR A 50 -5.975 0.873 18.179 1.00 0.00 C ATOM 773 O THR A 50 -5.897 1.532 19.215 1.00 0.00 O ATOM 774 CB THR A 50 -4.694 1.945 16.325 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.923 2.090 15.606 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.540 1.807 15.344 1.00 0.00 C ATOM 0 H THR A 50 -4.971 -0.395 15.495 1.00 0.00 H new ATOM 0 HA THR A 50 -3.862 0.673 17.859 1.00 0.00 H new ATOM 0 HB THR A 50 -4.525 2.831 16.937 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.867 2.871 15.017 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.507 2.683 14.696 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.602 1.727 15.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.683 0.912 14.738 1.00 0.00 H new ATOM 784 N SER A 51 -7.088 0.257 17.795 1.00 0.00 N ATOM 785 CA SER A 51 -8.312 0.326 18.585 1.00 0.00 C ATOM 786 C SER A 51 -8.116 -0.334 19.947 1.00 0.00 C ATOM 787 O SER A 51 -8.807 -0.008 20.912 1.00 0.00 O ATOM 788 CB SER A 51 -9.465 -0.348 17.839 1.00 0.00 C ATOM 789 OG SER A 51 -10.310 -1.050 18.734 1.00 0.00 O ATOM 0 H SER A 51 -7.168 -0.296 16.941 1.00 0.00 H new ATOM 0 HA SER A 51 -8.556 1.377 18.741 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.043 0.404 17.302 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.067 -1.037 17.094 1.00 0.00 H new ATOM 0 HG SER A 51 -11.040 -1.470 18.233 1.00 0.00 H new ATOM 795 N PHE A 52 -7.170 -1.265 20.016 1.00 0.00 N ATOM 796 CA PHE A 52 -6.884 -1.973 21.258 1.00 0.00 C ATOM 797 C PHE A 52 -6.310 -1.023 22.305 1.00 0.00 C ATOM 798 O PHE A 52 -6.418 -1.268 23.507 1.00 0.00 O ATOM 799 CB PHE A 52 -5.904 -3.120 21.001 1.00 0.00 C ATOM 800 CG PHE A 52 -6.019 -4.241 21.994 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.467 -4.122 23.260 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.680 -5.412 21.663 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.572 -5.152 24.176 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.788 -6.445 22.575 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.232 -6.315 23.833 1.00 0.00 C ATOM 0 H PHE A 52 -6.589 -1.546 19.227 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.820 -2.382 21.639 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.073 -3.514 19.999 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.887 -2.730 21.022 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.949 -3.215 23.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.116 -5.519 20.681 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.138 -5.047 25.159 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.307 -7.353 22.304 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.314 -7.122 24.547 1.00 0.00 H new ATOM 815 N PHE A 53 -5.698 0.061 21.840 1.00 0.00 N ATOM 816 CA PHE A 53 -5.105 1.047 22.736 1.00 0.00 C ATOM 817 C PHE A 53 -5.846 2.378 22.646 1.00 0.00 C ATOM 818 O PHE A 53 -5.310 3.424 23.012 1.00 0.00 O ATOM 819 CB PHE A 53 -3.627 1.250 22.398 1.00 0.00 C ATOM 820 CG PHE A 53 -2.872 -0.035 22.214 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.870 -0.683 20.989 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.165 -0.596 23.266 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.176 -1.866 20.816 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.469 -1.778 23.098 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.475 -2.415 21.873 1.00 0.00 C ATOM 0 H PHE A 53 -5.600 0.279 20.848 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.189 0.672 23.756 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.549 1.842 21.486 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.157 1.828 23.194 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.417 -0.259 20.160 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.158 -0.104 24.227 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.182 -2.361 19.856 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.920 -2.204 23.925 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.933 -3.340 21.741 1.00 0.00 H new ATOM 835 N GLN A 54 -7.081 2.329 22.156 1.00 0.00 N ATOM 836 CA GLN A 54 -7.895 3.531 22.017 1.00 0.00 C ATOM 837 C GLN A 54 -8.143 4.181 23.374 1.00 0.00 C ATOM 838 O GLN A 54 -8.284 5.399 23.474 1.00 0.00 O ATOM 839 CB GLN A 54 -9.229 3.194 21.349 1.00 0.00 C ATOM 840 CG GLN A 54 -10.173 2.403 22.240 1.00 0.00 C ATOM 841 CD GLN A 54 -11.534 2.192 21.606 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.910 2.895 20.667 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.282 1.221 22.118 1.00 0.00 N ATOM 0 H GLN A 54 -7.539 1.471 21.849 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.350 4.237 21.390 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.718 4.120 21.047 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.037 2.623 20.440 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.727 1.434 22.466 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.295 2.926 23.188 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.931 0.663 22.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.208 1.033 21.733 1.00 0.00 H new ATOM 852 N ASN A 55 -8.194 3.359 24.418 1.00 0.00 N ATOM 853 CA ASN A 55 -8.426 3.854 25.770 1.00 0.00 C ATOM 854 C ASN A 55 -7.477 3.190 26.763 1.00 0.00 C ATOM 855 O ASN A 55 -7.884 2.788 27.852 1.00 0.00 O ATOM 856 CB ASN A 55 -9.876 3.601 26.186 1.00 0.00 C ATOM 857 CG ASN A 55 -10.260 2.138 26.086 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.192 1.539 25.012 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.665 1.554 27.208 1.00 0.00 N ATOM 0 H ASN A 55 -8.078 2.348 24.353 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.236 4.927 25.775 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.022 3.943 27.211 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.540 4.192 25.555 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.935 0.570 27.202 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.706 2.089 28.075 1.00 0.00 H new ATOM 866 N MET A 56 -6.209 3.080 26.378 1.00 0.00 N ATOM 867 CA MET A 56 -5.202 2.466 27.235 1.00 0.00 C ATOM 868 C MET A 56 -4.228 3.514 27.766 1.00 0.00 C ATOM 869 O MET A 56 -3.339 3.969 27.047 1.00 0.00 O ATOM 870 CB MET A 56 -4.438 1.386 26.467 1.00 0.00 C ATOM 871 CG MET A 56 -3.428 0.634 27.319 1.00 0.00 C ATOM 872 SD MET A 56 -3.884 -1.091 27.577 1.00 0.00 S ATOM 873 CE MET A 56 -3.795 -1.719 25.902 1.00 0.00 C ATOM 0 H MET A 56 -5.855 3.408 25.479 1.00 0.00 H new ATOM 0 HA MET A 56 -5.712 2.007 28.082 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.151 0.675 26.051 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.920 1.847 25.626 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.450 0.679 26.841 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.334 1.129 28.285 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.416 -2.610 25.814 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.153 -0.958 25.209 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.762 -1.971 25.662 1.00 0.00 H new ATOM 883 N ASP A 57 -4.403 3.892 29.027 1.00 0.00 N ATOM 884 CA ASP A 57 -3.540 4.886 29.654 1.00 0.00 C ATOM 885 C ASP A 57 -2.085 4.425 29.645 1.00 0.00 C ATOM 886 O ASP A 57 -1.803 3.228 29.673 1.00 0.00 O ATOM 887 CB ASP A 57 -3.994 5.154 31.090 1.00 0.00 C ATOM 888 CG ASP A 57 -4.343 3.881 31.834 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.414 3.212 32.334 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.545 3.552 31.917 1.00 0.00 O ATOM 0 H ASP A 57 -5.135 3.525 29.635 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.614 5.809 29.080 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.203 5.679 31.626 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.862 5.813 31.076 1.00 0.00 H new ATOM 895 N GLY A 58 -1.166 5.384 29.606 1.00 0.00 N ATOM 896 CA GLY A 58 0.248 5.057 29.593 1.00 0.00 C ATOM 897 C GLY A 58 0.604 3.986 30.604 1.00 0.00 C ATOM 898 O GLY A 58 1.481 3.157 30.360 1.00 0.00 O ATOM 0 H GLY A 58 -1.375 6.382 29.583 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.531 4.719 28.596 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.828 5.956 29.801 1.00 0.00 H new ATOM 902 N LYS A 59 -0.076 4.003 31.746 1.00 0.00 N ATOM 903 CA LYS A 59 0.173 3.026 32.800 1.00 0.00 C ATOM 904 C LYS A 59 -0.196 1.620 32.337 1.00 0.00 C ATOM 905 O LYS A 59 0.562 0.672 32.539 1.00 0.00 O ATOM 906 CB LYS A 59 -0.623 3.387 34.056 1.00 0.00 C ATOM 907 CG LYS A 59 -0.290 4.759 34.614 1.00 0.00 C ATOM 908 CD LYS A 59 0.682 4.667 35.778 1.00 0.00 C ATOM 909 CE LYS A 59 1.997 4.030 35.357 1.00 0.00 C ATOM 910 NZ LYS A 59 1.981 2.552 35.540 1.00 0.00 N ATOM 0 H LYS A 59 -0.804 4.683 31.965 1.00 0.00 H new ATOM 0 HA LYS A 59 1.237 3.044 33.034 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.688 3.347 33.825 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.434 2.636 34.824 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.141 5.378 33.827 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.206 5.252 34.941 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.870 5.664 36.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.234 4.083 36.582 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.196 4.264 34.311 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.812 4.459 35.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.839 2.256 36.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.142 2.279 36.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.950 2.087 34.610 1.00 0.00 H new ATOM 924 N GLU A 60 -1.363 1.494 31.714 1.00 0.00 N ATOM 925 CA GLU A 60 -1.831 0.204 31.222 1.00 0.00 C ATOM 926 C GLU A 60 -1.073 -0.206 29.962 1.00 0.00 C ATOM 927 O GLU A 60 -1.172 -1.346 29.508 1.00 0.00 O ATOM 928 CB GLU A 60 -3.333 0.257 30.933 1.00 0.00 C ATOM 929 CG GLU A 60 -4.193 0.285 32.185 1.00 0.00 C ATOM 930 CD GLU A 60 -5.638 0.638 31.892 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.937 1.008 30.738 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.471 0.543 32.818 1.00 0.00 O ATOM 0 H GLU A 60 -2.002 2.270 31.538 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.644 -0.540 31.996 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.548 1.142 30.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.610 -0.609 30.332 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.152 -0.690 32.671 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.781 1.009 32.888 1.00 0.00 H new ATOM 939 N LEU A 61 -0.318 0.733 29.403 1.00 0.00 N ATOM 940 CA LEU A 61 0.457 0.471 28.195 1.00 0.00 C ATOM 941 C LEU A 61 1.846 -0.054 28.542 1.00 0.00 C ATOM 942 O LEU A 61 2.386 -0.917 27.848 1.00 0.00 O ATOM 943 CB LEU A 61 0.576 1.745 27.356 1.00 0.00 C ATOM 944 CG LEU A 61 1.569 1.694 26.195 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.054 0.783 25.091 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.832 3.092 25.655 1.00 0.00 C ATOM 0 H LEU A 61 -0.226 1.682 29.766 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.065 -0.291 27.616 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.409 1.985 26.955 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.861 2.565 28.015 1.00 0.00 H new ATOM 0 HG LEU A 61 2.510 1.286 26.565 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.774 0.759 24.273 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.918 -0.224 25.484 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.100 1.160 24.723 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.541 3.036 24.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.897 3.527 25.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.246 3.716 26.447 1.00 0.00 H new ATOM 958 N CYS A 62 2.419 0.469 29.620 1.00 0.00 N ATOM 959 CA CYS A 62 3.745 0.052 30.061 1.00 0.00 C ATOM 960 C CYS A 62 3.679 -1.283 30.795 1.00 0.00 C ATOM 961 O CYS A 62 4.693 -1.958 30.972 1.00 0.00 O ATOM 962 CB CYS A 62 4.362 1.117 30.968 1.00 0.00 C ATOM 963 SG CYS A 62 3.594 1.231 32.601 1.00 0.00 S ATOM 0 H CYS A 62 1.986 1.183 30.205 1.00 0.00 H new ATOM 0 HA CYS A 62 4.373 -0.070 29.178 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.424 0.903 31.092 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.288 2.086 30.475 1.00 0.00 H new ATOM 0 HG CYS A 62 2.309 1.070 32.488 1.00 0.00 H new ATOM 969 N LYS A 63 2.478 -1.659 31.222 1.00 0.00 N ATOM 970 CA LYS A 63 2.278 -2.913 31.938 1.00 0.00 C ATOM 971 C LYS A 63 2.040 -4.063 30.965 1.00 0.00 C ATOM 972 O LYS A 63 2.353 -5.215 31.263 1.00 0.00 O ATOM 973 CB LYS A 63 1.093 -2.792 32.899 1.00 0.00 C ATOM 974 CG LYS A 63 -0.258 -2.836 32.208 1.00 0.00 C ATOM 975 CD LYS A 63 -1.399 -2.805 33.211 1.00 0.00 C ATOM 976 CE LYS A 63 -1.834 -4.208 33.605 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.137 -4.203 34.325 1.00 0.00 N ATOM 0 H LYS A 63 1.628 -1.112 31.084 1.00 0.00 H new ATOM 0 HA LYS A 63 3.182 -3.124 32.509 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.144 -3.600 33.629 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.179 -1.856 33.452 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.347 -1.989 31.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.329 -3.740 31.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.088 -2.256 34.100 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.245 -2.267 32.784 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.915 -4.827 32.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.071 -4.660 34.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.399 -5.178 34.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.053 -3.633 35.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.871 -3.795 33.712 1.00 0.00 H new ATOM 991 N MET A 64 1.487 -3.742 29.799 1.00 0.00 N ATOM 992 CA MET A 64 1.211 -4.749 28.781 1.00 0.00 C ATOM 993 C MET A 64 2.467 -5.550 28.455 1.00 0.00 C ATOM 994 O MET A 64 3.561 -4.996 28.359 1.00 0.00 O ATOM 995 CB MET A 64 0.670 -4.087 27.513 1.00 0.00 C ATOM 996 CG MET A 64 -0.739 -3.539 27.667 1.00 0.00 C ATOM 997 SD MET A 64 -1.973 -4.551 26.827 1.00 0.00 S ATOM 998 CE MET A 64 -1.394 -4.457 25.135 1.00 0.00 C ATOM 0 H MET A 64 1.222 -2.793 29.536 1.00 0.00 H new ATOM 0 HA MET A 64 0.458 -5.432 29.175 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.337 -3.275 27.224 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.682 -4.813 26.700 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.986 -3.476 28.727 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.776 -2.524 27.270 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.238 -4.271 24.471 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.673 -3.645 25.042 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.918 -5.398 24.861 1.00 0.00 H new ATOM 1008 N ASN A 65 2.302 -6.858 28.286 1.00 0.00 N ATOM 1009 CA ASN A 65 3.423 -7.736 27.971 1.00 0.00 C ATOM 1010 C ASN A 65 3.375 -8.178 26.511 1.00 0.00 C ATOM 1011 O ASN A 65 2.413 -7.895 25.797 1.00 0.00 O ATOM 1012 CB ASN A 65 3.411 -8.962 28.887 1.00 0.00 C ATOM 1013 CG ASN A 65 4.289 -8.778 30.110 1.00 0.00 C ATOM 1014 OD1 ASN A 65 5.442 -8.361 30.003 1.00 0.00 O ATOM 1015 ND2 ASN A 65 3.746 -9.090 31.280 1.00 0.00 N ATOM 0 H ASN A 65 1.403 -7.333 28.362 1.00 0.00 H new ATOM 0 HA ASN A 65 4.345 -7.178 28.133 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.388 -9.165 29.204 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.750 -9.834 28.327 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.289 -8.987 32.138 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.786 -9.432 31.322 1.00 0.00 H new ATOM 1022 N LYS A 66 4.420 -8.873 26.075 1.00 0.00 N ATOM 1023 CA LYS A 66 4.498 -9.356 24.701 1.00 0.00 C ATOM 1024 C LYS A 66 3.238 -10.129 24.324 1.00 0.00 C ATOM 1025 O LYS A 66 2.819 -10.123 23.167 1.00 0.00 O ATOM 1026 CB LYS A 66 5.729 -10.248 24.522 1.00 0.00 C ATOM 1027 CG LYS A 66 5.973 -10.665 23.082 1.00 0.00 C ATOM 1028 CD LYS A 66 7.343 -10.222 22.598 1.00 0.00 C ATOM 1029 CE LYS A 66 7.640 -10.752 21.203 1.00 0.00 C ATOM 1030 NZ LYS A 66 7.724 -12.239 21.181 1.00 0.00 N ATOM 0 H LYS A 66 5.225 -9.115 26.653 1.00 0.00 H new ATOM 0 HA LYS A 66 4.584 -8.492 24.042 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.607 -9.719 24.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.612 -11.141 25.136 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.889 -11.748 22.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.203 -10.234 22.442 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.394 -9.133 22.593 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.106 -10.574 23.292 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.861 -10.422 20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.580 -10.330 20.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.480 -12.534 20.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.933 -12.589 22.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.817 -12.633 20.859 1.00 0.00 H new ATOM 1044 N GLU A 67 2.639 -10.793 25.308 1.00 0.00 N ATOM 1045 CA GLU A 67 1.426 -11.569 25.078 1.00 0.00 C ATOM 1046 C GLU A 67 0.227 -10.653 24.854 1.00 0.00 C ATOM 1047 O GLU A 67 -0.489 -10.781 23.861 1.00 0.00 O ATOM 1048 CB GLU A 67 1.157 -12.500 26.263 1.00 0.00 C ATOM 1049 CG GLU A 67 1.794 -13.871 26.117 1.00 0.00 C ATOM 1050 CD GLU A 67 1.143 -14.914 27.004 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.104 -14.940 27.072 1.00 0.00 O ATOM 1052 OE2 GLU A 67 1.879 -15.704 27.631 1.00 0.00 O ATOM 0 H GLU A 67 2.974 -10.809 26.271 1.00 0.00 H new ATOM 0 HA GLU A 67 1.575 -12.169 24.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.529 -12.031 27.174 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.080 -12.620 26.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.726 -14.190 25.077 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.854 -13.803 26.361 1.00 0.00 H new ATOM 1059 N ASP A 68 0.015 -9.729 25.785 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.097 -8.790 25.690 1.00 0.00 C ATOM 1061 C ASP A 68 -0.965 -7.915 24.448 1.00 0.00 C ATOM 1062 O ASP A 68 -1.958 -7.415 23.919 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.160 -7.913 26.942 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.063 -8.722 28.221 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.063 -9.373 28.589 1.00 0.00 O ATOM 1066 OD2 ASP A 68 0.014 -8.705 28.853 1.00 0.00 O ATOM 0 H ASP A 68 0.598 -9.610 26.613 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.020 -9.365 25.611 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.349 -7.185 26.913 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.094 -7.350 26.941 1.00 0.00 H new ATOM 1071 N PHE A 69 0.268 -7.732 23.987 1.00 0.00 N ATOM 1072 CA PHE A 69 0.531 -6.916 22.808 1.00 0.00 C ATOM 1073 C PHE A 69 0.280 -7.710 21.530 1.00 0.00 C ATOM 1074 O PHE A 69 -0.134 -7.155 20.511 1.00 0.00 O ATOM 1075 CB PHE A 69 1.972 -6.401 22.828 1.00 0.00 C ATOM 1076 CG PHE A 69 2.100 -4.999 23.351 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.613 -3.927 22.621 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.709 -4.753 24.571 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.731 -2.635 23.099 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.829 -3.464 25.054 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.338 -2.404 24.318 1.00 0.00 C ATOM 0 H PHE A 69 1.101 -8.138 24.413 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.151 -6.066 22.826 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.579 -7.066 23.442 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.378 -6.442 21.817 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.136 -4.102 21.668 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.094 -5.578 25.151 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.349 -1.807 22.520 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.306 -3.286 26.006 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.428 -1.396 24.695 1.00 0.00 H new ATOM 1091 N LEU A 70 0.535 -9.013 21.590 1.00 0.00 N ATOM 1092 CA LEU A 70 0.337 -9.885 20.438 1.00 0.00 C ATOM 1093 C LEU A 70 -1.146 -10.044 20.123 1.00 0.00 C ATOM 1094 O LEU A 70 -1.517 -10.449 19.021 1.00 0.00 O ATOM 1095 CB LEU A 70 0.965 -11.256 20.698 1.00 0.00 C ATOM 1096 CG LEU A 70 2.383 -11.458 20.162 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.933 -12.806 20.601 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.400 -11.341 18.645 1.00 0.00 C ATOM 0 H LEU A 70 0.879 -9.488 22.424 1.00 0.00 H new ATOM 0 HA LEU A 70 0.824 -9.426 19.578 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.977 -11.430 21.774 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.320 -12.018 20.259 1.00 0.00 H new ATOM 0 HG LEU A 70 3.022 -10.677 20.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.943 -12.932 20.210 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.957 -12.852 21.690 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.294 -13.602 20.218 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.417 -11.487 18.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.747 -12.100 18.214 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.048 -10.352 18.352 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.991 -9.720 21.096 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.435 -9.826 20.922 1.00 0.00 C ATOM 1112 C ARG A 71 -3.989 -8.592 20.217 1.00 0.00 C ATOM 1113 O ARG A 71 -5.196 -8.473 20.009 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.121 -10.004 22.277 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.456 -11.043 23.165 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.480 -11.819 23.979 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.134 -13.233 24.091 1.00 0.00 N ATOM 1118 CZ ARG A 71 -4.359 -14.123 23.131 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -4.928 -13.747 21.994 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -4.015 -15.392 23.307 1.00 0.00 N ATOM 0 H ARG A 71 -1.701 -9.382 22.013 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.639 -10.699 20.302 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.132 -9.047 22.798 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.160 -10.290 22.114 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.880 -11.734 22.550 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.752 -10.552 23.837 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.555 -11.384 24.976 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.461 -11.722 23.514 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.695 -13.555 24.954 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.194 -12.772 21.855 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.100 -14.433 21.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.577 -15.685 24.180 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.188 -16.074 22.569 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.099 -7.675 19.853 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.499 -6.450 19.171 1.00 0.00 C ATOM 1136 C ALA A 72 -2.605 -6.177 17.965 1.00 0.00 C ATOM 1137 O ALA A 72 -3.077 -5.738 16.916 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.463 -5.273 20.134 1.00 0.00 C ATOM 0 H ALA A 72 -2.096 -7.757 20.019 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.520 -6.580 18.812 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.764 -4.365 19.611 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.148 -5.459 20.961 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.451 -5.150 20.521 1.00 0.00 H new ATOM 1144 N THR A 73 -1.311 -6.438 18.122 1.00 0.00 N ATOM 1145 CA THR A 73 -0.351 -6.218 17.048 1.00 0.00 C ATOM 1146 C THR A 73 0.415 -7.495 16.725 1.00 0.00 C ATOM 1147 O THR A 73 0.536 -8.388 17.565 1.00 0.00 O ATOM 1148 CB THR A 73 0.653 -5.107 17.410 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.353 -4.677 16.237 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.649 -5.598 18.450 1.00 0.00 C ATOM 0 H THR A 73 -0.904 -6.802 18.983 1.00 0.00 H new ATOM 0 HA THR A 73 -0.922 -5.909 16.172 1.00 0.00 H new ATOM 0 HB THR A 73 0.098 -4.267 17.828 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.710 -4.498 15.520 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.348 -4.797 18.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.115 -5.897 19.352 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.198 -6.452 18.053 1.00 0.00 H new ATOM 1158 N THR A 74 0.933 -7.577 15.503 1.00 0.00 N ATOM 1159 CA THR A 74 1.687 -8.746 15.070 1.00 0.00 C ATOM 1160 C THR A 74 2.951 -8.924 15.903 1.00 0.00 C ATOM 1161 O THR A 74 3.367 -8.014 16.621 1.00 0.00 O ATOM 1162 CB THR A 74 2.077 -8.643 13.583 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.789 -9.818 13.181 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.935 -7.412 13.332 1.00 0.00 C ATOM 0 H THR A 74 0.844 -6.847 14.796 1.00 0.00 H new ATOM 0 HA THR A 74 1.038 -9.611 15.209 1.00 0.00 H new ATOM 0 HB THR A 74 1.163 -8.554 12.996 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.032 -9.746 12.234 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.198 -7.361 12.275 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.378 -6.517 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.845 -7.474 13.929 1.00 0.00 H new ATOM 1172 N LEU A 75 3.559 -10.101 15.802 1.00 0.00 N ATOM 1173 CA LEU A 75 4.778 -10.399 16.547 1.00 0.00 C ATOM 1174 C LEU A 75 5.879 -9.399 16.211 1.00 0.00 C ATOM 1175 O LEU A 75 6.466 -8.785 17.102 1.00 0.00 O ATOM 1176 CB LEU A 75 5.252 -11.820 16.239 1.00 0.00 C ATOM 1177 CG LEU A 75 6.684 -12.156 16.660 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.827 -12.078 18.172 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.078 -13.536 16.155 1.00 0.00 C ATOM 0 H LEU A 75 3.228 -10.864 15.212 1.00 0.00 H new ATOM 0 HA LEU A 75 4.554 -10.320 17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.576 -12.521 16.729 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.161 -11.987 15.166 1.00 0.00 H new ATOM 0 HG LEU A 75 7.356 -11.423 16.214 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.852 -12.320 18.454 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.587 -11.070 18.509 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.145 -12.789 18.639 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.099 -13.758 16.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.402 -14.283 16.572 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.015 -13.557 15.067 1.00 0.00 H new ATOM 1191 N TYR A 76 6.152 -9.239 14.921 1.00 0.00 N ATOM 1192 CA TYR A 76 7.183 -8.313 14.468 1.00 0.00 C ATOM 1193 C TYR A 76 7.015 -6.946 15.125 1.00 0.00 C ATOM 1194 O TYR A 76 7.961 -6.393 15.683 1.00 0.00 O ATOM 1195 CB TYR A 76 7.136 -8.169 12.946 1.00 0.00 C ATOM 1196 CG TYR A 76 8.257 -7.326 12.382 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.239 -5.942 12.499 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.335 -7.914 11.732 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.261 -5.168 11.984 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.363 -7.148 11.216 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.320 -5.775 11.344 1.00 0.00 C ATOM 1202 OH TYR A 76 11.341 -5.008 10.831 1.00 0.00 O ATOM 0 H TYR A 76 5.674 -9.738 14.171 1.00 0.00 H new ATOM 0 HA TYR A 76 8.152 -8.719 14.758 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.176 -9.160 12.494 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.181 -7.727 12.661 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.412 -5.463 13.001 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.370 -8.988 11.628 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.230 -4.093 12.082 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.195 -7.621 10.716 1.00 0.00 H new ATOM 0 HH TYR A 76 12.009 -5.590 10.413 1.00 0.00 H new ATOM 1212 N ASN A 77 5.802 -6.407 15.053 1.00 0.00 N ATOM 1213 CA ASN A 77 5.508 -5.105 15.640 1.00 0.00 C ATOM 1214 C ASN A 77 5.667 -5.144 17.157 1.00 0.00 C ATOM 1215 O ASN A 77 6.127 -4.180 17.770 1.00 0.00 O ATOM 1216 CB ASN A 77 4.088 -4.667 15.276 1.00 0.00 C ATOM 1217 CG ASN A 77 3.922 -4.422 13.788 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.898 -4.412 13.037 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.683 -4.222 13.356 1.00 0.00 N ATOM 0 H ASN A 77 5.007 -6.852 14.594 1.00 0.00 H new ATOM 0 HA ASN A 77 6.218 -4.383 15.236 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.381 -5.432 15.597 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.841 -3.756 15.821 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.510 -4.051 12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.904 -4.239 14.015 1.00 0.00 H new ATOM 1226 N THR A 78 5.282 -6.266 17.758 1.00 0.00 N ATOM 1227 CA THR A 78 5.381 -6.431 19.203 1.00 0.00 C ATOM 1228 C THR A 78 6.813 -6.227 19.683 1.00 0.00 C ATOM 1229 O THR A 78 7.049 -5.570 20.696 1.00 0.00 O ATOM 1230 CB THR A 78 4.897 -7.826 19.643 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.548 -8.036 19.212 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.981 -7.976 21.155 1.00 0.00 C ATOM 0 H THR A 78 4.899 -7.073 17.266 1.00 0.00 H new ATOM 0 HA THR A 78 4.739 -5.673 19.653 1.00 0.00 H new ATOM 0 HB THR A 78 5.545 -8.572 19.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.542 -8.274 18.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.634 -8.969 21.442 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.014 -7.846 21.477 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.355 -7.221 21.631 1.00 0.00 H new ATOM 1240 N GLU A 79 7.765 -6.794 18.949 1.00 0.00 N ATOM 1241 CA GLU A 79 9.175 -6.674 19.302 1.00 0.00 C ATOM 1242 C GLU A 79 9.627 -5.217 19.243 1.00 0.00 C ATOM 1243 O GLU A 79 10.421 -4.768 20.070 1.00 0.00 O ATOM 1244 CB GLU A 79 10.033 -7.524 18.363 1.00 0.00 C ATOM 1245 CG GLU A 79 10.097 -8.990 18.759 1.00 0.00 C ATOM 1246 CD GLU A 79 11.501 -9.557 18.674 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.154 -9.371 17.626 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.946 -10.186 19.657 1.00 0.00 O ATOM 0 H GLU A 79 7.586 -7.341 18.107 1.00 0.00 H new ATOM 0 HA GLU A 79 9.300 -7.035 20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.636 -7.446 17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.044 -7.118 18.340 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.724 -9.104 19.777 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.437 -9.567 18.111 1.00 0.00 H new ATOM 1255 N VAL A 80 9.117 -4.485 18.258 1.00 0.00 N ATOM 1256 CA VAL A 80 9.468 -3.080 18.090 1.00 0.00 C ATOM 1257 C VAL A 80 8.939 -2.239 19.247 1.00 0.00 C ATOM 1258 O VAL A 80 9.695 -1.522 19.904 1.00 0.00 O ATOM 1259 CB VAL A 80 8.915 -2.517 16.767 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.219 -1.032 16.649 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.488 -3.282 15.583 1.00 0.00 C ATOM 0 H VAL A 80 8.460 -4.842 17.564 1.00 0.00 H new ATOM 0 HA VAL A 80 10.557 -3.026 18.073 1.00 0.00 H new ATOM 0 HB VAL A 80 7.832 -2.643 16.763 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.821 -0.653 15.708 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.757 -0.499 17.480 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.298 -0.878 16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.087 -2.872 14.656 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.574 -3.189 15.581 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.214 -4.334 15.662 1.00 0.00 H new ATOM 1271 N LEU A 81 7.637 -2.333 19.492 1.00 0.00 N ATOM 1272 CA LEU A 81 7.005 -1.581 20.571 1.00 0.00 C ATOM 1273 C LEU A 81 7.655 -1.904 21.912 1.00 0.00 C ATOM 1274 O LEU A 81 8.111 -1.009 22.626 1.00 0.00 O ATOM 1275 CB LEU A 81 5.509 -1.893 20.628 1.00 0.00 C ATOM 1276 CG LEU A 81 4.715 -1.608 19.353 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.313 -2.188 19.456 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.657 -0.112 19.083 1.00 0.00 C ATOM 0 H LEU A 81 6.998 -2.922 18.958 1.00 0.00 H new ATOM 0 HA LEU A 81 7.141 -0.519 20.369 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.387 -2.946 20.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.069 -1.318 21.442 1.00 0.00 H new ATOM 0 HG LEU A 81 5.224 -2.088 18.517 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.763 -1.975 18.539 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.375 -3.267 19.600 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.795 -1.738 20.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.088 0.071 18.172 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.173 0.390 19.920 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.669 0.276 18.963 1.00 0.00 H new ATOM 1290 N LEU A 82 7.697 -3.189 22.249 1.00 0.00 N ATOM 1291 CA LEU A 82 8.294 -3.631 23.505 1.00 0.00 C ATOM 1292 C LEU A 82 9.726 -3.123 23.636 1.00 0.00 C ATOM 1293 O LEU A 82 10.122 -2.617 24.685 1.00 0.00 O ATOM 1294 CB LEU A 82 8.272 -5.158 23.592 1.00 0.00 C ATOM 1295 CG LEU A 82 7.039 -5.775 24.253 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.046 -5.509 25.750 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.767 -5.232 23.618 1.00 0.00 C ATOM 0 H LEU A 82 7.325 -3.942 21.671 1.00 0.00 H new ATOM 0 HA LEU A 82 7.706 -3.218 24.324 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.358 -5.561 22.583 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.155 -5.483 24.142 1.00 0.00 H new ATOM 0 HG LEU A 82 7.068 -6.853 24.097 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.161 -5.956 26.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.941 -5.947 26.193 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.042 -4.434 25.929 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.899 -5.682 24.100 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.731 -4.150 23.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.758 -5.475 22.556 1.00 0.00 H new ATOM 1309 N SER A 83 10.498 -3.260 22.562 1.00 0.00 N ATOM 1310 CA SER A 83 11.887 -2.817 22.557 1.00 0.00 C ATOM 1311 C SER A 83 11.976 -1.308 22.765 1.00 0.00 C ATOM 1312 O SER A 83 12.783 -0.826 23.562 1.00 0.00 O ATOM 1313 CB SER A 83 12.563 -3.202 21.240 1.00 0.00 C ATOM 1314 OG SER A 83 13.920 -2.794 21.225 1.00 0.00 O ATOM 0 H SER A 83 10.185 -3.674 21.684 1.00 0.00 H new ATOM 0 HA SER A 83 12.403 -3.311 23.380 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.503 -4.281 21.099 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.032 -2.741 20.407 1.00 0.00 H new ATOM 0 HG SER A 83 14.330 -3.053 20.373 1.00 0.00 H new ATOM 1320 N HIS A 84 11.142 -0.567 22.044 1.00 0.00 N ATOM 1321 CA HIS A 84 11.125 0.888 22.149 1.00 0.00 C ATOM 1322 C HIS A 84 10.740 1.326 23.558 1.00 0.00 C ATOM 1323 O HIS A 84 11.482 2.056 24.217 1.00 0.00 O ATOM 1324 CB HIS A 84 10.149 1.482 21.133 1.00 0.00 C ATOM 1325 CG HIS A 84 10.364 2.943 20.880 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.445 3.910 21.230 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.401 3.600 20.310 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.907 5.098 20.884 1.00 0.00 C ATOM 1329 NE2 HIS A 84 11.093 4.938 20.324 1.00 0.00 N ATOM 0 H HIS A 84 10.469 -0.950 21.380 1.00 0.00 H new ATOM 0 HA HIS A 84 12.129 1.255 21.935 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.243 0.941 20.192 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.130 1.329 21.488 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.303 3.155 19.917 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.401 6.040 21.033 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.683 5.686 19.961 1.00 0.00 H new ATOM 1337 N LEU A 85 9.575 0.878 24.015 1.00 0.00 N ATOM 1338 CA LEU A 85 9.091 1.224 25.346 1.00 0.00 C ATOM 1339 C LEU A 85 10.076 0.771 26.419 1.00 0.00 C ATOM 1340 O LEU A 85 10.216 1.414 27.459 1.00 0.00 O ATOM 1341 CB LEU A 85 7.721 0.589 25.593 1.00 0.00 C ATOM 1342 CG LEU A 85 6.652 1.508 26.186 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.597 1.841 25.143 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.013 0.864 27.408 1.00 0.00 C ATOM 0 H LEU A 85 8.949 0.274 23.483 1.00 0.00 H new ATOM 0 HA LEU A 85 8.997 2.309 25.401 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.349 0.196 24.647 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.852 -0.261 26.262 1.00 0.00 H new ATOM 0 HG LEU A 85 7.130 2.436 26.498 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.845 2.496 25.583 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.067 2.344 24.298 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.122 0.922 24.799 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.255 1.532 27.817 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.549 -0.080 27.121 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.777 0.678 28.163 1.00 0.00 H new ATOM 1356 N SER A 86 10.757 -0.340 26.158 1.00 0.00 N ATOM 1357 CA SER A 86 11.728 -0.881 27.102 1.00 0.00 C ATOM 1358 C SER A 86 12.719 0.195 27.538 1.00 0.00 C ATOM 1359 O SER A 86 13.223 0.171 28.661 1.00 0.00 O ATOM 1360 CB SER A 86 12.479 -2.057 26.476 1.00 0.00 C ATOM 1361 OG SER A 86 12.110 -3.281 27.087 1.00 0.00 O ATOM 0 H SER A 86 10.654 -0.883 25.301 1.00 0.00 H new ATOM 0 HA SER A 86 11.187 -1.231 27.981 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.266 -2.101 25.408 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.553 -1.904 26.581 1.00 0.00 H new ATOM 0 HG SER A 86 12.603 -4.017 26.668 1.00 0.00 H new ATOM 1367 N TYR A 87 12.992 1.137 26.643 1.00 0.00 N ATOM 1368 CA TYR A 87 13.924 2.220 26.933 1.00 0.00 C ATOM 1369 C TYR A 87 13.206 3.392 27.596 1.00 0.00 C ATOM 1370 O TYR A 87 13.623 3.875 28.650 1.00 0.00 O ATOM 1371 CB TYR A 87 14.610 2.688 25.649 1.00 0.00 C ATOM 1372 CG TYR A 87 15.443 3.937 25.828 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.653 3.897 26.511 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.021 5.157 25.314 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.417 5.036 26.677 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.779 6.301 25.475 1.00 0.00 C ATOM 1377 CZ TYR A 87 16.976 6.235 26.158 1.00 0.00 C ATOM 1378 OH TYR A 87 17.735 7.372 26.321 1.00 0.00 O ATOM 0 H TYR A 87 12.581 1.173 25.710 1.00 0.00 H new ATOM 0 HA TYR A 87 14.679 1.842 27.623 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.247 1.887 25.275 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.851 2.873 24.889 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.002 2.960 26.919 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.084 5.212 24.779 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.355 4.988 27.210 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.437 7.241 25.069 1.00 0.00 H new ATOM 0 HH TYR A 87 17.284 8.131 25.895 1.00 0.00 H new ATOM 1388 N LEU A 88 12.125 3.846 26.971 1.00 0.00 N ATOM 1389 CA LEU A 88 11.348 4.961 27.499 1.00 0.00 C ATOM 1390 C LEU A 88 10.963 4.716 28.954 1.00 0.00 C ATOM 1391 O LEU A 88 11.017 5.625 29.783 1.00 0.00 O ATOM 1392 CB LEU A 88 10.090 5.176 26.656 1.00 0.00 C ATOM 1393 CG LEU A 88 10.290 5.899 25.323 1.00 0.00 C ATOM 1394 CD1 LEU A 88 10.987 4.990 24.323 1.00 0.00 C ATOM 1395 CD2 LEU A 88 8.955 6.378 24.771 1.00 0.00 C ATOM 0 H LEU A 88 11.767 3.459 26.098 1.00 0.00 H new ATOM 0 HA LEU A 88 11.967 5.857 27.452 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.641 4.203 26.455 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.372 5.742 27.249 1.00 0.00 H new ATOM 0 HG LEU A 88 10.923 6.770 25.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.121 5.521 23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.960 4.696 24.715 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.380 4.100 24.155 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.116 6.890 23.822 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.298 5.522 24.614 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.493 7.065 25.480 1.00 0.00 H new