USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 TYR OH : rot -55:sc= -0.941 USER MOD Set 1.2: A 110 CYS SG : rot 96:sc= -5.91! USER MOD Set 2.1: A 65 SER OG : rot 120:sc= 0.995 USER MOD Set 2.2: A 74 HIS : no HE2:sc= -1.11! C(o=-0.12!,f=-10!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -6.16! C(o=-6.3!,f=-8.3!) USER MOD Set 3.2: A 96 THR OG1 : rot -49:sc= -0.169 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -17:sc= 1.24 USER MOD Single : A 33 MET CE :methyl -163:sc= -4.31! (180deg=-4.66!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00595 X(o=-0.0059,f=-0.0059) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 83:sc= 0.481 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= -0.272 (180deg=-0.35) USER MOD Single : A 68 TYR OH : rot 92:sc= 1.16 USER MOD Single : A 69 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ -104:sc= 1.2 (180deg=-0.912) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -143:sc= 0 (180deg=-0.0519) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 170:sc= -1.01 USER MOD Single : A 89 LYS NZ :NH3+ -122:sc=-0.00458 (180deg=-0.51) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -3.46! K(o=-3.5!,f=-2) USER MOD Single : A 104 GLN : amide:sc= -0.947 K(o=-0.95,f=-1.5!) USER MOD Single : A 105 ASN : amide:sc= -1.98! C(o=-2!,f=-1.5!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -118:sc= -1.38 (180deg=-1.75) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 80:sc= 0.308 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.091 -10.720 -9.131 1.00 0.00 N ATOM 297 CA LEU A 23 3.050 -9.447 -8.421 1.00 0.00 C ATOM 298 C LEU A 23 4.048 -8.459 -9.016 1.00 0.00 C ATOM 299 O LEU A 23 3.928 -7.249 -8.824 1.00 0.00 O ATOM 300 CB LEU A 23 3.348 -9.659 -6.936 1.00 0.00 C ATOM 301 CG LEU A 23 2.436 -10.642 -6.202 1.00 0.00 C ATOM 302 CD1 LEU A 23 2.930 -10.870 -4.781 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.001 -10.135 -6.195 1.00 0.00 C ATOM 0 HA LEU A 23 2.048 -9.031 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.377 -10.006 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.288 -8.694 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 23 2.461 -11.595 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.268 -11.572 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.940 -11.278 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.936 -9.923 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.366 -10.847 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.959 -9.169 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.649 -10.025 -7.221 1.00 0.00 H new ATOM 315 N SER A 24 5.031 -8.983 -9.741 1.00 0.00 N ATOM 316 CA SER A 24 6.051 -8.147 -10.363 1.00 0.00 C ATOM 317 C SER A 24 5.425 -7.182 -11.366 1.00 0.00 C ATOM 318 O SER A 24 5.867 -6.042 -11.506 1.00 0.00 O ATOM 319 CB SER A 24 7.098 -9.017 -11.061 1.00 0.00 C ATOM 320 OG SER A 24 7.990 -8.227 -11.827 1.00 0.00 O ATOM 0 H SER A 24 5.143 -9.982 -9.912 1.00 0.00 H new ATOM 0 HA SER A 24 6.536 -7.565 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.657 -9.585 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.601 -9.741 -11.708 1.00 0.00 H new ATOM 0 HG SER A 24 8.650 -8.807 -12.261 1.00 0.00 H new ATOM 326 N VAL A 25 4.393 -7.648 -12.061 1.00 0.00 N ATOM 327 CA VAL A 25 3.705 -6.828 -13.051 1.00 0.00 C ATOM 328 C VAL A 25 3.246 -5.506 -12.445 1.00 0.00 C ATOM 329 O VAL A 25 3.064 -4.516 -13.154 1.00 0.00 O ATOM 330 CB VAL A 25 2.484 -7.562 -13.638 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.896 -8.912 -14.205 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.403 -7.726 -12.581 1.00 0.00 C ATOM 0 H VAL A 25 4.015 -8.589 -11.957 1.00 0.00 H new ATOM 0 HA VAL A 25 4.419 -6.630 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 25 2.076 -6.962 -14.451 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.021 -9.417 -14.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.634 -8.765 -14.994 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.329 -9.523 -13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.548 -8.246 -13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.796 -8.305 -11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.089 -6.744 -12.226 1.00 0.00 H new ATOM 342 N HIS A 26 3.060 -5.497 -11.129 1.00 0.00 N ATOM 343 CA HIS A 26 2.623 -4.296 -10.427 1.00 0.00 C ATOM 344 C HIS A 26 3.748 -3.269 -10.354 1.00 0.00 C ATOM 345 O HIS A 26 4.916 -3.596 -10.572 1.00 0.00 O ATOM 346 CB HIS A 26 2.147 -4.649 -9.017 1.00 0.00 C ATOM 347 CG HIS A 26 1.159 -5.774 -8.982 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.058 -5.834 -9.810 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.111 -6.887 -8.213 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.625 -6.935 -9.551 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.007 -7.592 -8.586 1.00 0.00 N ATOM 0 H HIS A 26 3.205 -6.308 -10.527 1.00 0.00 H new ATOM 0 HA HIS A 26 1.794 -3.861 -10.985 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.010 -4.916 -8.407 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.696 -3.766 -8.563 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.190 -5.137 -10.513 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.820 -7.168 -7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.534 -7.245 -10.045 1.00 0.00 H new ATOM 359 N LEU A 27 3.391 -2.027 -10.048 1.00 0.00 N ATOM 360 CA LEU A 27 4.371 -0.951 -9.948 1.00 0.00 C ATOM 361 C LEU A 27 4.898 -0.826 -8.522 1.00 0.00 C ATOM 362 O LEU A 27 6.051 -0.454 -8.306 1.00 0.00 O ATOM 363 CB LEU A 27 3.750 0.374 -10.393 1.00 0.00 C ATOM 364 CG LEU A 27 3.588 0.567 -11.901 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.763 1.810 -12.195 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.949 0.655 -12.576 1.00 0.00 C ATOM 0 H LEU A 27 2.430 -1.740 -9.865 1.00 0.00 H new ATOM 0 HA LEU A 27 5.207 -1.192 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.769 0.467 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.364 1.188 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 27 3.060 -0.297 -12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.659 1.931 -13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.776 1.707 -11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.262 2.685 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.815 0.792 -13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.503 1.500 -12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.505 -0.265 -12.395 1.00 0.00 H new ATOM 378 N TRP A 28 4.046 -1.140 -7.552 1.00 0.00 N ATOM 379 CA TRP A 28 4.427 -1.065 -6.146 1.00 0.00 C ATOM 380 C TRP A 28 5.121 -2.347 -5.701 1.00 0.00 C ATOM 381 O TRP A 28 5.224 -2.625 -4.506 1.00 0.00 O ATOM 382 CB TRP A 28 3.195 -0.808 -5.276 1.00 0.00 C ATOM 383 CG TRP A 28 1.964 -1.505 -5.770 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.913 -0.940 -6.435 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.655 -2.897 -5.636 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.031 -1.897 -6.722 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.401 -3.106 -6.244 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.316 -3.987 -5.065 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.202 -4.359 -6.293 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.715 -5.231 -5.114 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.467 -5.409 -5.725 1.00 0.00 C ATOM 0 H TRP A 28 3.087 -1.449 -7.713 1.00 0.00 H new ATOM 0 HA TRP A 28 5.126 -0.237 -6.028 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.404 -1.134 -4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.005 0.265 -5.235 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.835 0.105 -6.697 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.911 -1.733 -7.212 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.279 -3.860 -4.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.164 -4.498 -6.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.216 -6.080 -4.674 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.024 -6.394 -5.748 1.00 0.00 H new ATOM 402 N TYR A 29 5.597 -3.123 -6.668 1.00 0.00 N ATOM 403 CA TYR A 29 6.280 -4.378 -6.374 1.00 0.00 C ATOM 404 C TYR A 29 7.766 -4.278 -6.704 1.00 0.00 C ATOM 405 O TYR A 29 8.172 -4.460 -7.852 1.00 0.00 O ATOM 406 CB TYR A 29 5.646 -5.525 -7.163 1.00 0.00 C ATOM 407 CG TYR A 29 5.841 -6.880 -6.523 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.037 -7.293 -5.467 1.00 0.00 C ATOM 409 CD2 TYR A 29 6.828 -7.748 -6.972 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.211 -8.530 -4.878 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.009 -8.988 -6.390 1.00 0.00 C ATOM 412 CZ TYR A 29 6.198 -9.374 -5.343 1.00 0.00 C ATOM 413 OH TYR A 29 6.375 -10.608 -4.760 1.00 0.00 O ATOM 0 H TYR A 29 5.523 -2.906 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 29 6.176 -4.579 -5.308 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.578 -5.334 -7.271 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.070 -5.542 -8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.263 -6.635 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.465 -7.448 -7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.578 -8.835 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.781 -9.651 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 29 5.929 -10.625 -3.888 1.00 0.00 H new ATOM 423 N ALA A 30 8.573 -3.989 -5.689 1.00 0.00 N ATOM 424 CA ALA A 30 10.014 -3.869 -5.868 1.00 0.00 C ATOM 425 C ALA A 30 10.738 -5.107 -5.351 1.00 0.00 C ATOM 426 O ALA A 30 11.897 -5.037 -4.946 1.00 0.00 O ATOM 427 CB ALA A 30 10.531 -2.622 -5.166 1.00 0.00 C ATOM 0 H ALA A 30 8.253 -3.833 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 30 10.216 -3.782 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.609 -2.545 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.046 -1.741 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.309 -2.686 -4.101 1.00 0.00 H new ATOM 433 N GLY A 31 10.045 -6.242 -5.367 1.00 0.00 N ATOM 434 CA GLY A 31 10.638 -7.480 -4.896 1.00 0.00 C ATOM 435 C GLY A 31 11.436 -7.293 -3.622 1.00 0.00 C ATOM 436 O GLY A 31 11.138 -6.426 -2.799 1.00 0.00 O ATOM 0 H GLY A 31 9.084 -6.326 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.851 -8.214 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.288 -7.886 -5.671 1.00 0.00 H new ATOM 440 N PRO A 32 12.476 -8.120 -3.443 1.00 0.00 N ATOM 441 CA PRO A 32 13.341 -8.062 -2.260 1.00 0.00 C ATOM 442 C PRO A 32 14.209 -6.808 -2.238 1.00 0.00 C ATOM 443 O PRO A 32 15.253 -6.754 -2.886 1.00 0.00 O ATOM 444 CB PRO A 32 14.212 -9.313 -2.396 1.00 0.00 C ATOM 445 CG PRO A 32 14.231 -9.605 -3.857 1.00 0.00 C ATOM 446 CD PRO A 32 12.889 -9.177 -4.382 1.00 0.00 C ATOM 0 HA PRO A 32 12.765 -8.025 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.218 -9.138 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.797 -10.148 -1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.035 -9.062 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.402 -10.666 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.958 -8.803 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.179 -10.004 -4.393 1.00 0.00 H new ATOM 454 N MET A 33 13.769 -5.803 -1.488 1.00 0.00 N ATOM 455 CA MET A 33 14.508 -4.550 -1.381 1.00 0.00 C ATOM 456 C MET A 33 14.803 -4.217 0.078 1.00 0.00 C ATOM 457 O MET A 33 13.934 -4.340 0.940 1.00 0.00 O ATOM 458 CB MET A 33 13.718 -3.410 -2.027 1.00 0.00 C ATOM 459 CG MET A 33 14.358 -2.045 -1.839 1.00 0.00 C ATOM 460 SD MET A 33 13.143 -0.717 -1.734 1.00 0.00 S ATOM 461 CE MET A 33 12.377 -0.830 -3.349 1.00 0.00 C ATOM 0 H MET A 33 12.905 -5.832 -0.946 1.00 0.00 H new ATOM 0 HA MET A 33 15.455 -4.669 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.614 -3.610 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.713 -3.392 -1.607 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.961 -2.053 -0.931 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.035 -1.848 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.830 0.090 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 33 13.146 -0.975 -4.107 1.00 0.00 H new ATOM 0 HE3 MET A 33 11.687 -1.674 -3.366 1.00 0.00 H new ATOM 471 N GLU A 34 16.035 -3.795 0.346 1.00 0.00 N ATOM 472 CA GLU A 34 16.443 -3.445 1.702 1.00 0.00 C ATOM 473 C GLU A 34 15.795 -2.137 2.145 1.00 0.00 C ATOM 474 O GLU A 34 15.432 -1.300 1.318 1.00 0.00 O ATOM 475 CB GLU A 34 17.967 -3.325 1.784 1.00 0.00 C ATOM 476 CG GLU A 34 18.610 -2.848 0.493 1.00 0.00 C ATOM 477 CD GLU A 34 20.034 -2.366 0.695 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.775 -3.013 1.464 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.407 -1.343 0.084 1.00 0.00 O ATOM 0 H GLU A 34 16.767 -3.687 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 34 16.111 -4.239 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.226 -2.634 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.386 -4.295 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.605 -3.661 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.013 -2.040 0.071 1.00 0.00 H new ATOM 486 N ARG A 35 15.653 -1.968 3.456 1.00 0.00 N ATOM 487 CA ARG A 35 15.046 -0.763 4.010 1.00 0.00 C ATOM 488 C ARG A 35 15.657 0.488 3.387 1.00 0.00 C ATOM 489 O ARG A 35 14.945 1.424 3.024 1.00 0.00 O ATOM 490 CB ARG A 35 15.225 -0.729 5.529 1.00 0.00 C ATOM 491 CG ARG A 35 14.685 0.535 6.177 1.00 0.00 C ATOM 492 CD ARG A 35 14.673 0.422 7.693 1.00 0.00 C ATOM 493 NE ARG A 35 14.640 1.731 8.340 1.00 0.00 N ATOM 494 CZ ARG A 35 14.796 1.910 9.647 1.00 0.00 C ATOM 495 NH1 ARG A 35 14.996 0.869 10.442 1.00 0.00 N ATOM 496 NH2 ARG A 35 14.753 3.133 10.160 1.00 0.00 N ATOM 0 H ARG A 35 15.950 -2.650 4.154 1.00 0.00 H new ATOM 0 HA ARG A 35 13.981 -0.782 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.724 -1.593 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.285 -0.823 5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.296 1.387 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.674 0.726 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.806 -0.159 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.558 -0.123 8.023 1.00 0.00 H new ATOM 0 HE ARG A 35 14.489 2.553 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.030 -0.072 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.116 1.009 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.600 3.937 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.873 3.270 11.164 1.00 0.00 H new ATOM 510 N ALA A 36 16.981 0.498 3.266 1.00 0.00 N ATOM 511 CA ALA A 36 17.687 1.633 2.685 1.00 0.00 C ATOM 512 C ALA A 36 17.074 2.036 1.349 1.00 0.00 C ATOM 513 O ALA A 36 16.550 3.139 1.202 1.00 0.00 O ATOM 514 CB ALA A 36 19.163 1.305 2.514 1.00 0.00 C ATOM 0 H ALA A 36 17.586 -0.268 3.563 1.00 0.00 H new ATOM 0 HA ALA A 36 17.591 2.477 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.678 2.162 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.599 1.074 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.270 0.444 1.854 1.00 0.00 H new ATOM 520 N GLY A 37 17.144 1.133 0.374 1.00 0.00 N ATOM 521 CA GLY A 37 16.593 1.415 -0.938 1.00 0.00 C ATOM 522 C GLY A 37 15.281 2.170 -0.866 1.00 0.00 C ATOM 523 O GLY A 37 15.142 3.243 -1.453 1.00 0.00 O ATOM 0 H GLY A 37 17.572 0.212 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.313 1.997 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.440 0.478 -1.474 1.00 0.00 H new ATOM 527 N ALA A 38 14.315 1.608 -0.147 1.00 0.00 N ATOM 528 CA ALA A 38 13.008 2.236 0.000 1.00 0.00 C ATOM 529 C ALA A 38 13.137 3.651 0.551 1.00 0.00 C ATOM 530 O ALA A 38 12.463 4.571 0.089 1.00 0.00 O ATOM 531 CB ALA A 38 12.117 1.395 0.902 1.00 0.00 C ATOM 0 H ALA A 38 14.413 0.719 0.343 1.00 0.00 H new ATOM 0 HA ALA A 38 12.550 2.300 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.144 1.876 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.989 0.405 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.579 1.301 1.885 1.00 0.00 H new ATOM 537 N GLU A 39 14.007 3.818 1.542 1.00 0.00 N ATOM 538 CA GLU A 39 14.223 5.123 2.157 1.00 0.00 C ATOM 539 C GLU A 39 14.918 6.073 1.187 1.00 0.00 C ATOM 540 O GLU A 39 14.798 7.293 1.303 1.00 0.00 O ATOM 541 CB GLU A 39 15.056 4.979 3.432 1.00 0.00 C ATOM 542 CG GLU A 39 14.341 4.230 4.545 1.00 0.00 C ATOM 543 CD GLU A 39 14.865 4.592 5.921 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.882 4.003 6.343 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.258 5.464 6.577 1.00 0.00 O ATOM 0 H GLU A 39 14.573 3.067 1.936 1.00 0.00 H new ATOM 0 HA GLU A 39 13.249 5.541 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.984 4.459 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.330 5.971 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.274 4.448 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.455 3.157 4.388 1.00 0.00 H new ATOM 552 N SER A 40 15.646 5.505 0.230 1.00 0.00 N ATOM 553 CA SER A 40 16.364 6.301 -0.758 1.00 0.00 C ATOM 554 C SER A 40 15.526 6.489 -2.018 1.00 0.00 C ATOM 555 O SER A 40 15.755 7.415 -2.797 1.00 0.00 O ATOM 556 CB SER A 40 17.695 5.634 -1.111 1.00 0.00 C ATOM 557 OG SER A 40 18.360 6.339 -2.146 1.00 0.00 O ATOM 0 H SER A 40 15.754 4.497 0.118 1.00 0.00 H new ATOM 0 HA SER A 40 16.561 7.282 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.331 5.594 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.518 4.605 -1.423 1.00 0.00 H new ATOM 0 HG SER A 40 19.208 5.894 -2.352 1.00 0.00 H new ATOM 563 N ILE A 41 14.553 5.604 -2.211 1.00 0.00 N ATOM 564 CA ILE A 41 13.679 5.672 -3.376 1.00 0.00 C ATOM 565 C ILE A 41 12.524 6.639 -3.140 1.00 0.00 C ATOM 566 O ILE A 41 12.344 7.602 -3.886 1.00 0.00 O ATOM 567 CB ILE A 41 13.110 4.287 -3.734 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.226 3.366 -4.234 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.016 4.419 -4.783 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.874 1.897 -4.163 1.00 0.00 C ATOM 0 H ILE A 41 14.350 4.832 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 41 14.287 6.031 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 41 12.675 3.846 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.465 3.625 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.125 3.545 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.624 3.431 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.212 5.043 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.428 4.877 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.710 1.304 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.664 1.623 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.993 1.704 -4.776 1.00 0.00 H new ATOM 582 N LEU A 42 11.743 6.376 -2.098 1.00 0.00 N ATOM 583 CA LEU A 42 10.605 7.224 -1.761 1.00 0.00 C ATOM 584 C LEU A 42 11.069 8.540 -1.147 1.00 0.00 C ATOM 585 O LEU A 42 10.294 9.489 -1.029 1.00 0.00 O ATOM 586 CB LEU A 42 9.671 6.496 -0.792 1.00 0.00 C ATOM 587 CG LEU A 42 9.261 5.079 -1.191 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.403 4.446 -0.107 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.519 5.093 -2.520 1.00 0.00 C ATOM 0 H LEU A 42 11.877 5.582 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 42 10.063 7.446 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.156 6.451 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.767 7.094 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 42 10.164 4.480 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.121 3.437 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.968 4.401 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.505 5.045 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.235 4.076 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.624 5.708 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.167 5.505 -3.294 1.00 0.00 H new ATOM 601 N ALA A 43 12.339 8.591 -0.759 1.00 0.00 N ATOM 602 CA ALA A 43 12.908 9.793 -0.161 1.00 0.00 C ATOM 603 C ALA A 43 12.524 11.036 -0.957 1.00 0.00 C ATOM 604 O ALA A 43 11.891 11.950 -0.430 1.00 0.00 O ATOM 605 CB ALA A 43 14.422 9.670 -0.068 1.00 0.00 C ATOM 0 H ALA A 43 12.994 7.814 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 43 12.501 9.897 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.834 10.574 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.680 8.809 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.838 9.538 -1.067 1.00 0.00 H new ATOM 611 N ASN A 44 12.913 11.063 -2.227 1.00 0.00 N ATOM 612 CA ASN A 44 12.611 12.196 -3.095 1.00 0.00 C ATOM 613 C ASN A 44 11.154 12.162 -3.546 1.00 0.00 C ATOM 614 O ASN A 44 10.520 13.204 -3.712 1.00 0.00 O ATOM 615 CB ASN A 44 13.534 12.191 -4.315 1.00 0.00 C ATOM 616 CG ASN A 44 14.989 11.986 -3.938 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.517 10.879 -4.040 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.643 13.055 -3.500 1.00 0.00 N ATOM 0 H ASN A 44 13.438 10.314 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 44 12.776 13.111 -2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.224 11.401 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.430 13.135 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.624 12.978 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.164 13.953 -3.432 1.00 0.00 H new ATOM 625 N ARG A 45 10.628 10.957 -3.741 1.00 0.00 N ATOM 626 CA ARG A 45 9.247 10.786 -4.173 1.00 0.00 C ATOM 627 C ARG A 45 8.321 11.740 -3.423 1.00 0.00 C ATOM 628 O ARG A 45 8.681 12.273 -2.374 1.00 0.00 O ATOM 629 CB ARG A 45 8.795 9.341 -3.953 1.00 0.00 C ATOM 630 CG ARG A 45 9.500 8.339 -4.852 1.00 0.00 C ATOM 631 CD ARG A 45 9.049 8.475 -6.298 1.00 0.00 C ATOM 632 NE ARG A 45 10.059 7.991 -7.235 1.00 0.00 N ATOM 633 CZ ARG A 45 10.150 8.400 -8.495 1.00 0.00 C ATOM 634 NH1 ARG A 45 9.294 9.296 -8.968 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.097 7.913 -9.286 1.00 0.00 N ATOM 0 H ARG A 45 11.138 10.084 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 45 9.195 11.017 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.970 9.069 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.720 9.276 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.578 8.488 -4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.298 7.327 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.124 7.918 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.828 9.521 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 45 10.732 7.300 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.564 9.672 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.366 9.609 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.757 7.223 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.165 8.228 -10.254 1.00 0.00 H new ATOM 649 N SER A 46 7.127 11.950 -3.970 1.00 0.00 N ATOM 650 CA SER A 46 6.152 12.842 -3.355 1.00 0.00 C ATOM 651 C SER A 46 5.376 12.124 -2.254 1.00 0.00 C ATOM 652 O SER A 46 4.938 10.987 -2.430 1.00 0.00 O ATOM 653 CB SER A 46 5.183 13.378 -4.411 1.00 0.00 C ATOM 654 OG SER A 46 5.623 14.625 -4.920 1.00 0.00 O ATOM 0 H SER A 46 6.813 11.515 -4.837 1.00 0.00 H new ATOM 0 HA SER A 46 6.692 13.678 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.095 12.660 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.190 13.489 -3.975 1.00 0.00 H new ATOM 0 HG SER A 46 4.988 14.946 -5.594 1.00 0.00 H new ATOM 660 N ASP A 47 5.212 12.796 -1.121 1.00 0.00 N ATOM 661 CA ASP A 47 4.488 12.224 0.009 1.00 0.00 C ATOM 662 C ASP A 47 3.288 11.413 -0.468 1.00 0.00 C ATOM 663 O ASP A 47 2.383 11.944 -1.111 1.00 0.00 O ATOM 664 CB ASP A 47 4.027 13.330 0.960 1.00 0.00 C ATOM 665 CG ASP A 47 3.942 12.858 2.398 1.00 0.00 C ATOM 666 OD1 ASP A 47 4.996 12.519 2.975 1.00 0.00 O ATOM 667 OD2 ASP A 47 2.820 12.830 2.947 1.00 0.00 O ATOM 0 H ASP A 47 5.570 13.737 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 47 5.165 11.557 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.718 14.171 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.050 13.695 0.642 1.00 0.00 H new ATOM 672 N GLY A 48 3.288 10.121 -0.150 1.00 0.00 N ATOM 673 CA GLY A 48 2.194 9.258 -0.556 1.00 0.00 C ATOM 674 C GLY A 48 2.658 8.105 -1.425 1.00 0.00 C ATOM 675 O GLY A 48 1.963 7.097 -1.555 1.00 0.00 O ATOM 0 H GLY A 48 4.025 9.658 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.698 8.864 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.455 9.845 -1.101 1.00 0.00 H new ATOM 679 N THR A 49 3.836 8.254 -2.023 1.00 0.00 N ATOM 680 CA THR A 49 4.390 7.218 -2.887 1.00 0.00 C ATOM 681 C THR A 49 4.700 5.952 -2.097 1.00 0.00 C ATOM 682 O THR A 49 5.728 5.864 -1.425 1.00 0.00 O ATOM 683 CB THR A 49 5.674 7.700 -3.588 1.00 0.00 C ATOM 684 OG1 THR A 49 5.461 8.993 -4.166 1.00 0.00 O ATOM 685 CG2 THR A 49 6.099 6.720 -4.671 1.00 0.00 C ATOM 0 H THR A 49 4.425 9.081 -1.925 1.00 0.00 H new ATOM 0 HA THR A 49 3.635 6.996 -3.641 1.00 0.00 H new ATOM 0 HB THR A 49 6.467 7.761 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.579 9.682 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.008 7.081 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.288 5.744 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.306 6.632 -5.413 1.00 0.00 H new ATOM 693 N PHE A 50 3.807 4.972 -2.183 1.00 0.00 N ATOM 694 CA PHE A 50 3.986 3.710 -1.476 1.00 0.00 C ATOM 695 C PHE A 50 4.759 2.711 -2.333 1.00 0.00 C ATOM 696 O PHE A 50 4.725 2.774 -3.563 1.00 0.00 O ATOM 697 CB PHE A 50 2.628 3.121 -1.088 1.00 0.00 C ATOM 698 CG PHE A 50 1.864 2.557 -2.252 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.195 3.394 -3.130 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.816 1.189 -2.468 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.491 2.876 -4.201 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.114 0.666 -3.537 1.00 0.00 C ATOM 703 CZ PHE A 50 0.452 1.511 -4.406 1.00 0.00 C ATOM 0 H PHE A 50 2.952 5.028 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 50 4.561 3.908 -0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.780 2.335 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.028 3.896 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.224 4.463 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.333 0.524 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.028 3.539 -4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.083 -0.402 -3.693 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.095 1.105 -5.244 1.00 0.00 H new ATOM 713 N LEU A 51 5.456 1.792 -1.675 1.00 0.00 N ATOM 714 CA LEU A 51 6.239 0.780 -2.374 1.00 0.00 C ATOM 715 C LEU A 51 6.309 -0.511 -1.564 1.00 0.00 C ATOM 716 O LEU A 51 6.720 -0.507 -0.404 1.00 0.00 O ATOM 717 CB LEU A 51 7.652 1.299 -2.650 1.00 0.00 C ATOM 718 CG LEU A 51 8.710 0.955 -1.601 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.048 -0.527 -1.651 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.960 1.797 -1.809 1.00 0.00 C ATOM 0 H LEU A 51 5.495 1.727 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 51 5.745 0.566 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.981 0.905 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.606 2.384 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 51 8.304 1.181 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.803 -0.754 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.150 -1.112 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.434 -0.779 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.702 1.539 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.369 1.603 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.706 2.853 -1.722 1.00 0.00 H new ATOM 732 N VAL A 52 5.906 -1.615 -2.185 1.00 0.00 N ATOM 733 CA VAL A 52 5.926 -2.915 -1.523 1.00 0.00 C ATOM 734 C VAL A 52 7.205 -3.678 -1.849 1.00 0.00 C ATOM 735 O VAL A 52 7.530 -3.895 -3.017 1.00 0.00 O ATOM 736 CB VAL A 52 4.712 -3.770 -1.931 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.551 -4.953 -0.987 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.449 -2.924 -1.958 1.00 0.00 C ATOM 0 H VAL A 52 5.562 -1.636 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 52 5.884 -2.726 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 52 4.884 -4.157 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.688 -5.546 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.448 -5.572 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.402 -4.589 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.601 -3.545 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.270 -2.506 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.569 -2.114 -2.678 1.00 0.00 H new ATOM 748 N ARG A 53 7.927 -4.083 -0.809 1.00 0.00 N ATOM 749 CA ARG A 53 9.171 -4.823 -0.985 1.00 0.00 C ATOM 750 C ARG A 53 9.212 -6.043 -0.070 1.00 0.00 C ATOM 751 O ARG A 53 8.373 -6.193 0.818 1.00 0.00 O ATOM 752 CB ARG A 53 10.371 -3.918 -0.700 1.00 0.00 C ATOM 753 CG ARG A 53 10.354 -3.303 0.690 1.00 0.00 C ATOM 754 CD ARG A 53 11.381 -2.189 0.820 1.00 0.00 C ATOM 755 NE ARG A 53 11.446 -1.660 2.179 1.00 0.00 N ATOM 756 CZ ARG A 53 11.986 -2.318 3.199 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.506 -3.524 3.013 1.00 0.00 N ATOM 758 NH2 ARG A 53 12.008 -1.770 4.407 1.00 0.00 N ATOM 0 H ARG A 53 7.672 -3.911 0.164 1.00 0.00 H new ATOM 0 HA ARG A 53 9.219 -5.164 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.288 -4.495 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.397 -3.119 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.360 -2.909 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.557 -4.075 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.362 -2.565 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.131 -1.384 0.129 1.00 0.00 H new ATOM 0 HE ARG A 53 11.055 -0.734 2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.492 -3.948 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.920 -4.027 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.610 -0.842 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.423 -2.276 5.189 1.00 0.00 H new ATOM 898 N PHE A 62 6.827 -9.795 3.326 1.00 0.00 N ATOM 899 CA PHE A 62 6.646 -8.572 2.552 1.00 0.00 C ATOM 900 C PHE A 62 6.520 -7.361 3.472 1.00 0.00 C ATOM 901 O PHE A 62 6.285 -7.501 4.672 1.00 0.00 O ATOM 902 CB PHE A 62 5.405 -8.684 1.664 1.00 0.00 C ATOM 903 CG PHE A 62 5.603 -9.568 0.466 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.607 -10.947 0.599 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.785 -9.020 -0.793 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.789 -11.763 -0.501 1.00 0.00 C ATOM 907 CE2 PHE A 62 5.968 -9.831 -1.898 1.00 0.00 C ATOM 908 CZ PHE A 62 5.969 -11.204 -1.752 1.00 0.00 C ATOM 0 HA PHE A 62 7.524 -8.437 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.577 -9.071 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.118 -7.688 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.466 -11.389 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.784 -7.947 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.791 -12.837 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.110 -9.391 -2.874 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.110 -11.840 -2.614 1.00 0.00 H new ATOM 918 N ALA A 63 6.677 -6.172 2.899 1.00 0.00 N ATOM 919 CA ALA A 63 6.580 -4.936 3.665 1.00 0.00 C ATOM 920 C ALA A 63 6.252 -3.753 2.760 1.00 0.00 C ATOM 921 O ALA A 63 6.894 -3.552 1.729 1.00 0.00 O ATOM 922 CB ALA A 63 7.875 -4.680 4.422 1.00 0.00 C ATOM 0 H ALA A 63 6.872 -6.039 1.907 1.00 0.00 H new ATOM 0 HA ALA A 63 5.768 -5.047 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.788 -3.753 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.067 -5.507 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.700 -4.596 3.714 1.00 0.00 H new ATOM 928 N ILE A 64 5.249 -2.974 3.152 1.00 0.00 N ATOM 929 CA ILE A 64 4.837 -1.812 2.376 1.00 0.00 C ATOM 930 C ILE A 64 5.365 -0.522 2.994 1.00 0.00 C ATOM 931 O ILE A 64 5.036 -0.187 4.132 1.00 0.00 O ATOM 932 CB ILE A 64 3.303 -1.724 2.265 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.766 -2.871 1.406 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.891 -0.380 1.682 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.319 -3.210 1.689 1.00 0.00 C ATOM 0 H ILE A 64 4.707 -3.127 4.002 1.00 0.00 H new ATOM 0 HA ILE A 64 5.259 -1.934 1.379 1.00 0.00 H new ATOM 0 HB ILE A 64 2.875 -1.812 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.870 -2.606 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.378 -3.757 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.804 -0.333 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.247 0.422 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.326 -0.265 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.005 -4.031 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.212 -3.506 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.696 -2.337 1.494 1.00 0.00 H new ATOM 947 N SER A 65 6.185 0.199 2.237 1.00 0.00 N ATOM 948 CA SER A 65 6.761 1.451 2.711 1.00 0.00 C ATOM 949 C SER A 65 6.360 2.612 1.805 1.00 0.00 C ATOM 950 O SER A 65 6.467 2.524 0.582 1.00 0.00 O ATOM 951 CB SER A 65 8.286 1.344 2.775 1.00 0.00 C ATOM 952 OG SER A 65 8.687 0.247 3.578 1.00 0.00 O ATOM 0 H SER A 65 6.466 -0.063 1.292 1.00 0.00 H new ATOM 0 HA SER A 65 6.374 1.643 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.688 1.228 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.702 2.267 3.180 1.00 0.00 H new ATOM 0 HG SER A 65 9.215 -0.377 3.038 1.00 0.00 H new ATOM 958 N ILE A 66 5.896 3.697 2.415 1.00 0.00 N ATOM 959 CA ILE A 66 5.479 4.875 1.665 1.00 0.00 C ATOM 960 C ILE A 66 6.033 6.150 2.291 1.00 0.00 C ATOM 961 O ILE A 66 6.466 6.152 3.444 1.00 0.00 O ATOM 962 CB ILE A 66 3.944 4.979 1.588 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.419 5.908 2.684 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.313 3.600 1.707 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.729 5.427 4.084 1.00 0.00 C ATOM 0 H ILE A 66 5.799 3.785 3.427 1.00 0.00 H new ATOM 0 HA ILE A 66 5.879 4.765 0.657 1.00 0.00 H new ATOM 0 HB ILE A 66 3.671 5.399 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.850 6.900 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.339 6.011 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.228 3.690 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.667 2.966 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.591 3.154 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.327 6.135 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.275 4.449 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.809 5.351 4.212 1.00 0.00 H new ATOM 977 N LYS A 67 6.015 7.236 1.525 1.00 0.00 N ATOM 978 CA LYS A 67 6.512 8.520 2.004 1.00 0.00 C ATOM 979 C LYS A 67 5.434 9.264 2.785 1.00 0.00 C ATOM 980 O LYS A 67 4.404 9.646 2.229 1.00 0.00 O ATOM 981 CB LYS A 67 6.988 9.376 0.828 1.00 0.00 C ATOM 982 CG LYS A 67 7.677 10.662 1.252 1.00 0.00 C ATOM 983 CD LYS A 67 9.023 10.385 1.901 1.00 0.00 C ATOM 984 CE LYS A 67 9.445 11.524 2.816 1.00 0.00 C ATOM 985 NZ LYS A 67 10.903 11.485 3.114 1.00 0.00 N ATOM 0 H LYS A 67 5.661 7.252 0.569 1.00 0.00 H new ATOM 0 HA LYS A 67 7.353 8.330 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.675 8.790 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.133 9.622 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.816 11.305 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.040 11.204 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.969 9.459 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.778 10.239 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.195 12.477 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.882 11.469 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.182 12.363 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.110 10.672 3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.436 11.393 2.226 1.00 0.00 H new ATOM 999 N TYR A 68 5.677 9.466 4.075 1.00 0.00 N ATOM 1000 CA TYR A 68 4.726 10.164 4.932 1.00 0.00 C ATOM 1001 C TYR A 68 5.451 11.002 5.981 1.00 0.00 C ATOM 1002 O TYR A 68 6.458 10.575 6.545 1.00 0.00 O ATOM 1003 CB TYR A 68 3.795 9.162 5.617 1.00 0.00 C ATOM 1004 CG TYR A 68 2.485 9.766 6.070 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.412 9.883 5.194 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.319 10.217 7.373 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.213 10.434 5.603 1.00 0.00 C ATOM 1008 CE2 TYR A 68 1.123 10.768 7.791 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.073 10.875 6.903 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.120 11.423 7.314 1.00 0.00 O ATOM 0 H TYR A 68 6.525 9.156 4.550 1.00 0.00 H new ATOM 0 HA TYR A 68 4.133 10.832 4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.589 8.341 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.306 8.735 6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.518 9.537 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.139 10.136 8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.610 10.519 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.011 11.113 8.808 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.691 10.720 7.689 1.00 0.00 H new ATOM 1020 N ASN A 69 4.930 12.197 6.237 1.00 0.00 N ATOM 1021 CA ASN A 69 5.526 13.097 7.219 1.00 0.00 C ATOM 1022 C ASN A 69 7.017 13.283 6.951 1.00 0.00 C ATOM 1023 O ASN A 69 7.806 13.474 7.876 1.00 0.00 O ATOM 1024 CB ASN A 69 5.315 12.554 8.633 1.00 0.00 C ATOM 1025 CG ASN A 69 5.169 13.659 9.661 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.870 14.804 9.320 1.00 0.00 O ATOM 1027 ND2 ASN A 69 5.381 13.321 10.928 1.00 0.00 N ATOM 0 H ASN A 69 4.097 12.565 5.779 1.00 0.00 H new ATOM 0 HA ASN A 69 5.035 14.066 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.424 11.927 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.158 11.918 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.298 14.023 11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.627 12.360 11.165 1.00 0.00 H new ATOM 1034 N VAL A 70 7.395 13.227 5.678 1.00 0.00 N ATOM 1035 CA VAL A 70 8.790 13.391 5.287 1.00 0.00 C ATOM 1036 C VAL A 70 9.649 12.252 5.824 1.00 0.00 C ATOM 1037 O VAL A 70 10.855 12.407 6.012 1.00 0.00 O ATOM 1038 CB VAL A 70 9.360 14.730 5.790 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.264 15.783 5.865 1.00 0.00 C ATOM 1040 CG2 VAL A 70 10.030 14.548 7.144 1.00 0.00 C ATOM 0 H VAL A 70 6.755 13.069 4.900 1.00 0.00 H new ATOM 0 HA VAL A 70 8.817 13.380 4.197 1.00 0.00 H new ATOM 0 HB VAL A 70 10.113 15.074 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.686 16.722 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.834 15.932 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.486 15.450 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.427 15.504 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.300 14.181 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.844 13.828 7.054 1.00 0.00 H new ATOM 1050 N GLU A 71 9.019 11.107 6.067 1.00 0.00 N ATOM 1051 CA GLU A 71 9.726 9.941 6.583 1.00 0.00 C ATOM 1052 C GLU A 71 9.202 8.659 5.944 1.00 0.00 C ATOM 1053 O GLU A 71 7.993 8.438 5.870 1.00 0.00 O ATOM 1054 CB GLU A 71 9.582 9.861 8.105 1.00 0.00 C ATOM 1055 CG GLU A 71 8.248 10.377 8.617 1.00 0.00 C ATOM 1056 CD GLU A 71 8.202 10.471 10.130 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.281 10.482 10.758 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.085 10.536 10.686 1.00 0.00 O ATOM 0 H GLU A 71 8.021 10.962 5.915 1.00 0.00 H new ATOM 0 HA GLU A 71 10.781 10.047 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.706 8.825 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.386 10.433 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.055 11.361 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.451 9.718 8.273 1.00 0.00 H new ATOM 1065 N VAL A 72 10.120 7.816 5.482 1.00 0.00 N ATOM 1066 CA VAL A 72 9.751 6.555 4.848 1.00 0.00 C ATOM 1067 C VAL A 72 9.326 5.523 5.886 1.00 0.00 C ATOM 1068 O VAL A 72 10.165 4.886 6.524 1.00 0.00 O ATOM 1069 CB VAL A 72 10.915 5.983 4.017 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.505 4.678 3.352 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.378 6.997 2.982 1.00 0.00 C ATOM 0 H VAL A 72 11.125 7.983 5.535 1.00 0.00 H new ATOM 0 HA VAL A 72 8.912 6.767 4.185 1.00 0.00 H new ATOM 0 HB VAL A 72 11.750 5.775 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.340 4.289 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.226 3.952 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.655 4.857 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.201 6.577 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.551 7.239 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.714 7.903 3.486 1.00 0.00 H new ATOM 1081 N LYS A 73 8.018 5.361 6.050 1.00 0.00 N ATOM 1082 CA LYS A 73 7.479 4.404 7.010 1.00 0.00 C ATOM 1083 C LYS A 73 7.428 3.002 6.410 1.00 0.00 C ATOM 1084 O LYS A 73 7.396 2.872 5.187 1.00 0.00 O ATOM 1085 CB LYS A 73 6.079 4.830 7.455 1.00 0.00 C ATOM 1086 CG LYS A 73 5.970 6.308 7.787 1.00 0.00 C ATOM 1087 CD LYS A 73 6.602 6.626 9.132 1.00 0.00 C ATOM 1088 CE LYS A 73 5.895 7.783 9.821 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.412 8.008 11.199 1.00 0.00 N ATOM 0 H LYS A 73 7.310 5.880 5.530 1.00 0.00 H new ATOM 0 HA LYS A 73 8.139 4.386 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.367 4.590 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.792 4.247 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.457 6.894 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.921 6.603 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.565 5.743 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.654 6.873 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.025 8.691 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.825 7.581 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.729 7.638 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.321 7.516 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.547 9.027 11.357 1.00 0.00 H new ATOM 1103 N HIS A 74 7.421 1.996 7.272 1.00 0.00 N ATOM 1104 CA HIS A 74 7.373 0.618 6.814 1.00 0.00 C ATOM 1105 C HIS A 74 6.139 -0.073 7.397 1.00 0.00 C ATOM 1106 O HIS A 74 5.723 0.178 8.528 1.00 0.00 O ATOM 1107 CB HIS A 74 8.675 -0.112 7.149 1.00 0.00 C ATOM 1108 CG HIS A 74 9.921 0.690 6.858 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.419 0.864 5.579 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.763 1.363 7.694 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.512 1.609 5.654 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.724 1.917 6.965 1.00 0.00 N ATOM 0 H HIS A 74 7.448 2.108 8.286 1.00 0.00 H new ATOM 0 HA HIS A 74 7.281 0.595 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.667 -0.381 8.205 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.714 -1.043 6.583 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.014 0.483 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.664 1.433 8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.127 1.918 4.822 1.00 0.00 H new ATOM 1120 N ILE A 75 5.558 -0.957 6.592 1.00 0.00 N ATOM 1121 CA ILE A 75 4.372 -1.699 7.002 1.00 0.00 C ATOM 1122 C ILE A 75 4.606 -3.203 6.909 1.00 0.00 C ATOM 1123 O ILE A 75 4.532 -3.788 5.828 1.00 0.00 O ATOM 1124 CB ILE A 75 3.149 -1.327 6.144 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.046 0.193 5.996 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.878 -1.892 6.760 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.366 0.869 7.166 1.00 0.00 C ATOM 0 H ILE A 75 5.889 -1.177 5.653 1.00 0.00 H new ATOM 0 HA ILE A 75 4.173 -1.427 8.039 1.00 0.00 H new ATOM 0 HB ILE A 75 3.273 -1.762 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.047 0.607 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.497 0.425 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.022 -1.620 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.954 -2.978 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.746 -1.483 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.328 1.945 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.352 0.482 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.927 0.668 8.079 1.00 0.00 H new ATOM 1139 N LYS A 76 4.887 -3.825 8.049 1.00 0.00 N ATOM 1140 CA LYS A 76 5.129 -5.262 8.097 1.00 0.00 C ATOM 1141 C LYS A 76 3.933 -6.034 7.549 1.00 0.00 C ATOM 1142 O LYS A 76 2.805 -5.860 8.013 1.00 0.00 O ATOM 1143 CB LYS A 76 5.419 -5.703 9.534 1.00 0.00 C ATOM 1144 CG LYS A 76 5.284 -7.200 9.750 1.00 0.00 C ATOM 1145 CD LYS A 76 5.946 -7.639 11.046 1.00 0.00 C ATOM 1146 CE LYS A 76 6.011 -9.154 11.153 1.00 0.00 C ATOM 1147 NZ LYS A 76 6.168 -9.604 12.564 1.00 0.00 N ATOM 0 H LYS A 76 4.953 -3.356 8.952 1.00 0.00 H new ATOM 0 HA LYS A 76 5.996 -5.480 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.430 -5.395 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.738 -5.184 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.229 -7.472 9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.735 -7.731 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.953 -7.226 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.391 -7.237 11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.103 -9.587 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.846 -9.525 10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.208 -10.643 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.047 -9.212 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.358 -9.272 13.126 1.00 0.00 H new ATOM 1161 N ILE A 77 4.187 -6.887 6.563 1.00 0.00 N ATOM 1162 CA ILE A 77 3.131 -7.687 5.954 1.00 0.00 C ATOM 1163 C ILE A 77 3.191 -9.133 6.434 1.00 0.00 C ATOM 1164 O ILE A 77 4.223 -9.793 6.319 1.00 0.00 O ATOM 1165 CB ILE A 77 3.222 -7.663 4.417 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.981 -6.247 3.892 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.221 -8.636 3.812 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.139 -6.123 2.392 1.00 0.00 C ATOM 0 H ILE A 77 5.115 -7.042 6.168 1.00 0.00 H new ATOM 0 HA ILE A 77 2.183 -7.244 6.260 1.00 0.00 H new ATOM 0 HB ILE A 77 4.224 -7.973 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.976 -5.931 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.676 -5.564 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.297 -8.608 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.435 -9.645 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.212 -8.354 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.954 -5.092 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.152 -6.407 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.425 -6.780 1.895 1.00 0.00 H new ATOM 1180 N MET A 78 2.077 -9.619 6.971 1.00 0.00 N ATOM 1181 CA MET A 78 2.002 -10.989 7.465 1.00 0.00 C ATOM 1182 C MET A 78 1.239 -11.879 6.489 1.00 0.00 C ATOM 1183 O MET A 78 0.240 -11.460 5.902 1.00 0.00 O ATOM 1184 CB MET A 78 1.328 -11.022 8.838 1.00 0.00 C ATOM 1185 CG MET A 78 1.853 -9.968 9.799 1.00 0.00 C ATOM 1186 SD MET A 78 1.768 -10.493 11.521 1.00 0.00 S ATOM 1187 CE MET A 78 0.017 -10.302 11.847 1.00 0.00 C ATOM 0 H MET A 78 1.214 -9.085 7.075 1.00 0.00 H new ATOM 0 HA MET A 78 3.019 -11.371 7.558 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.255 -10.882 8.710 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.471 -12.008 9.280 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.887 -9.734 9.545 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.278 -9.050 9.674 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.126 -9.941 12.865 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.408 -9.585 11.144 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.482 -11.264 11.730 1.00 0.00 H new ATOM 1197 N THR A 79 1.714 -13.109 6.320 1.00 0.00 N ATOM 1198 CA THR A 79 1.077 -14.056 5.414 1.00 0.00 C ATOM 1199 C THR A 79 0.556 -15.273 6.169 1.00 0.00 C ATOM 1200 O THR A 79 1.254 -15.839 7.011 1.00 0.00 O ATOM 1201 CB THR A 79 2.051 -14.525 4.316 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.362 -14.698 4.865 1.00 0.00 O ATOM 1203 CG2 THR A 79 2.102 -13.522 3.174 1.00 0.00 C ATOM 0 H THR A 79 2.538 -13.472 6.799 1.00 0.00 H new ATOM 0 HA THR A 79 0.240 -13.535 4.949 1.00 0.00 H new ATOM 0 HB THR A 79 1.693 -15.478 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.974 -14.998 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.796 -13.874 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.108 -13.415 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.438 -12.557 3.552 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.674 -15.672 5.863 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.287 -16.825 6.511 1.00 0.00 C ATOM 1213 C ALA A 80 -2.166 -17.600 5.535 1.00 0.00 C ATOM 1214 O ALA A 80 -3.147 -17.070 5.014 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.100 -16.381 7.718 1.00 0.00 C ATOM 0 H ALA A 80 -1.266 -15.214 5.170 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.490 -17.488 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.552 -17.252 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.447 -15.877 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.884 -15.695 7.396 1.00 0.00 H new ATOM 1221 N GLU A 81 -1.807 -18.857 5.293 1.00 0.00 N ATOM 1222 CA GLU A 81 -2.563 -19.704 4.378 1.00 0.00 C ATOM 1223 C GLU A 81 -2.463 -19.184 2.947 1.00 0.00 C ATOM 1224 O GLU A 81 -3.340 -19.435 2.121 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.031 -19.772 4.806 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.221 -19.887 6.309 1.00 0.00 C ATOM 1227 CD GLU A 81 -3.816 -21.246 6.846 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -2.599 -21.488 6.987 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -4.715 -22.067 7.125 1.00 0.00 O ATOM 0 H GLU A 81 -0.998 -19.311 5.717 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.135 -20.706 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.546 -18.880 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.503 -20.627 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.634 -19.115 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.266 -19.700 6.555 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.388 -18.456 2.661 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.193 -17.911 1.331 1.00 0.00 C ATOM 1238 C GLY A 82 -1.738 -16.503 1.195 1.00 0.00 C ATOM 1239 O GLY A 82 -1.443 -15.806 0.223 1.00 0.00 O ATOM 0 H GLY A 82 -0.648 -18.234 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.129 -17.910 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.681 -18.558 0.602 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.536 -16.083 2.171 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.125 -14.748 2.156 1.00 0.00 C ATOM 1245 C LEU A 83 -2.111 -13.700 2.602 1.00 0.00 C ATOM 1246 O LEU A 83 -1.161 -14.008 3.322 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.356 -14.702 3.063 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.551 -15.543 2.615 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.337 -16.038 3.820 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.448 -14.741 1.684 1.00 0.00 C ATOM 0 H LEU A 83 -2.790 -16.647 2.982 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.426 -14.522 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.060 -15.029 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.680 -13.665 3.151 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.177 -16.410 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.184 -16.635 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.691 -16.649 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.700 -15.185 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.294 -15.355 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.814 -13.856 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.880 -14.436 0.805 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.320 -12.461 2.171 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.424 -11.367 2.526 1.00 0.00 C ATOM 1264 C TYR A 84 -2.158 -10.302 3.335 1.00 0.00 C ATOM 1265 O TYR A 84 -3.155 -9.739 2.881 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.823 -10.742 1.266 1.00 0.00 C ATOM 1267 CG TYR A 84 0.097 -11.672 0.509 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.413 -12.640 -0.349 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.476 -11.585 0.651 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.425 -13.493 -1.042 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.321 -12.432 -0.039 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.791 -13.384 -0.884 1.00 0.00 C ATOM 1273 OH TYR A 84 2.629 -14.231 -1.573 1.00 0.00 O ATOM 0 H TYR A 84 -3.102 -12.189 1.575 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.621 -11.774 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.631 -10.427 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.270 -9.845 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.482 -12.727 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.895 -10.842 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.013 -14.241 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.391 -12.349 0.083 1.00 0.00 H new ATOM 0 HH TYR A 84 3.560 -14.022 -1.351 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.657 -10.029 4.535 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.264 -9.033 5.409 1.00 0.00 C ATOM 1285 C ARG A 85 -1.286 -8.591 6.493 1.00 0.00 C ATOM 1286 O ARG A 85 -0.662 -9.421 7.155 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.535 -9.592 6.051 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.367 -10.994 6.613 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.577 -11.416 7.431 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.560 -12.844 7.738 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.648 -13.543 8.041 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.833 -12.951 8.076 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -5.551 -14.839 8.309 1.00 0.00 N ATOM 0 H ARG A 85 -0.831 -10.484 4.924 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.523 -8.165 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.851 -8.924 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.333 -9.600 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.216 -11.699 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.474 -11.032 7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.603 -10.846 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.487 -11.174 6.883 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.664 -13.331 7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.912 -11.955 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.666 -13.491 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.641 -15.299 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.387 -15.376 8.542 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.157 -7.280 6.668 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.255 -6.730 7.672 1.00 0.00 C ATOM 1309 C ILE A 86 -0.781 -6.981 9.081 1.00 0.00 C ATOM 1310 O ILE A 86 -0.030 -6.928 10.056 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.050 -5.216 7.475 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.316 -4.452 7.869 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.328 -4.916 6.032 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.114 -2.956 7.964 1.00 0.00 C ATOM 0 H ILE A 86 -1.665 -6.580 6.128 1.00 0.00 H new ATOM 0 HA ILE A 86 0.702 -7.238 7.548 1.00 0.00 H new ATOM 0 HB ILE A 86 0.765 -4.888 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.098 -4.659 7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.671 -4.824 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.469 -3.842 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.254 -5.435 5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.468 -5.256 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.052 -2.479 8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.355 -2.738 8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.789 -2.571 6.998 1.00 0.00 H new ATOM 1326 N THR A 87 -2.078 -7.256 9.182 1.00 0.00 N ATOM 1327 CA THR A 87 -2.706 -7.516 10.471 1.00 0.00 C ATOM 1328 C THR A 87 -3.721 -8.649 10.370 1.00 0.00 C ATOM 1329 O THR A 87 -4.286 -8.894 9.305 1.00 0.00 O ATOM 1330 CB THR A 87 -3.410 -6.259 11.017 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.106 -6.575 12.228 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.387 -5.699 9.995 1.00 0.00 C ATOM 0 H THR A 87 -2.714 -7.304 8.386 1.00 0.00 H new ATOM 0 HA THR A 87 -1.910 -7.805 11.157 1.00 0.00 H new ATOM 0 HB THR A 87 -2.651 -5.504 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.414 -5.748 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.872 -4.812 10.403 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.849 -5.432 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.142 -6.451 9.763 1.00 0.00 H new ATOM 1340 N GLU A 88 -3.947 -9.336 11.485 1.00 0.00 N ATOM 1341 CA GLU A 88 -4.895 -10.443 11.520 1.00 0.00 C ATOM 1342 C GLU A 88 -6.328 -9.930 11.625 1.00 0.00 C ATOM 1343 O GLU A 88 -7.125 -10.436 12.416 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.587 -11.371 12.698 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.753 -10.708 14.055 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.955 -11.712 15.173 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -4.060 -12.560 15.377 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -6.006 -11.650 15.845 1.00 0.00 O ATOM 0 H GLU A 88 -3.487 -9.146 12.375 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.795 -11.002 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.242 -12.241 12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.564 -11.736 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.872 -10.103 14.270 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.606 -10.030 14.022 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.649 -8.921 10.823 1.00 0.00 N ATOM 1356 CA LYS A 89 -7.986 -8.338 10.823 1.00 0.00 C ATOM 1357 C LYS A 89 -8.703 -8.621 9.507 1.00 0.00 C ATOM 1358 O LYS A 89 -9.899 -8.912 9.489 1.00 0.00 O ATOM 1359 CB LYS A 89 -7.906 -6.828 11.058 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.391 -6.454 12.437 1.00 0.00 C ATOM 1361 CD LYS A 89 -7.623 -4.983 12.739 1.00 0.00 C ATOM 1362 CE LYS A 89 -8.951 -4.762 13.446 1.00 0.00 C ATOM 1363 NZ LYS A 89 -10.053 -4.482 12.483 1.00 0.00 N ATOM 0 H LYS A 89 -6.001 -8.489 10.164 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.555 -8.796 11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.255 -6.385 10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.896 -6.394 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.890 -7.064 13.190 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.326 -6.676 12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.811 -4.606 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.605 -4.413 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.200 -5.644 14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.857 -3.929 14.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.482 -3.561 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.672 -4.463 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.775 -5.227 12.556 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.965 -8.535 8.405 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.529 -8.784 7.084 1.00 0.00 C ATOM 1379 C LYS A 90 -7.474 -9.356 6.142 1.00 0.00 C ATOM 1380 O LYS A 90 -6.447 -8.727 5.889 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.103 -7.491 6.500 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.758 -7.676 5.142 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.229 -8.033 5.276 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.954 -7.919 3.944 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.433 -7.967 4.112 1.00 0.00 N ATOM 0 H LYS A 90 -6.974 -8.294 8.401 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.331 -9.515 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.836 -7.082 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.303 -6.756 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.657 -6.760 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.241 -8.462 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.324 -9.050 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.700 -7.373 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.674 -6.985 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.637 -8.729 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.891 -7.886 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.703 -8.869 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.739 -7.179 4.718 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.737 -10.551 5.623 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.812 -11.205 4.706 1.00 0.00 C ATOM 1401 C ALA A 91 -7.323 -11.139 3.271 1.00 0.00 C ATOM 1402 O ALA A 91 -8.531 -11.139 3.030 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.590 -12.652 5.123 1.00 0.00 C ATOM 0 H ALA A 91 -8.583 -11.085 5.822 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.860 -10.675 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.897 -13.128 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.173 -12.681 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.541 -13.185 5.109 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.397 -11.081 2.320 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.754 -11.012 0.907 1.00 0.00 C ATOM 1411 C PHE A 92 -5.992 -12.060 0.102 1.00 0.00 C ATOM 1412 O PHE A 92 -4.949 -12.553 0.533 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.464 -9.616 0.354 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.127 -8.513 1.129 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.699 -8.195 2.408 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.176 -7.796 0.579 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.308 -7.181 3.124 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.789 -6.781 1.290 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.353 -6.473 2.564 1.00 0.00 C ATOM 0 H PHE A 92 -5.393 -11.080 2.502 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.821 -11.216 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.387 -9.451 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.795 -9.569 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.881 -8.745 2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.519 -8.032 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.967 -6.943 4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.607 -6.230 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.829 -5.680 3.121 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.520 -12.396 -1.071 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.891 -13.386 -1.936 1.00 0.00 C ATOM 1431 C ARG A 93 -4.432 -13.026 -2.204 1.00 0.00 C ATOM 1432 O ARG A 93 -3.551 -13.883 -2.151 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.652 -13.495 -3.259 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.132 -13.794 -3.088 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.400 -15.291 -3.080 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.723 -15.612 -3.610 1.00 0.00 N ATOM 1437 CZ ARG A 93 -9.975 -16.682 -4.356 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -9.000 -17.528 -4.659 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -11.204 -16.906 -4.802 1.00 0.00 N ATOM 0 H ARG A 93 -7.382 -11.997 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.922 -14.349 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.540 -12.562 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.199 -14.280 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.488 -13.354 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.695 -13.327 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.639 -15.799 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.316 -15.669 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.495 -14.981 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.053 -17.358 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.197 -18.349 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.956 -16.257 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.397 -17.728 -5.375 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.186 -11.752 -2.493 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.834 -11.301 -2.766 1.00 0.00 C ATOM 1455 C GLY A 94 -2.642 -9.828 -2.465 1.00 0.00 C ATOM 1456 O GLY A 94 -3.584 -9.139 -2.070 1.00 0.00 O ATOM 0 H GLY A 94 -4.899 -11.024 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.132 -11.885 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.596 -11.489 -3.813 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.419 -9.342 -2.648 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.106 -7.941 -2.392 1.00 0.00 C ATOM 1462 C LEU A 95 -2.057 -7.022 -3.153 1.00 0.00 C ATOM 1463 O LEU A 95 -2.718 -6.168 -2.561 1.00 0.00 O ATOM 1464 CB LEU A 95 0.340 -7.640 -2.791 1.00 0.00 C ATOM 1465 CG LEU A 95 1.403 -7.926 -1.730 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.487 -6.778 -0.736 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.102 -9.233 -1.012 1.00 0.00 C ATOM 0 H LEU A 95 -0.628 -9.898 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.228 -7.756 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.579 -8.222 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.407 -6.588 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 95 2.368 -8.021 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.249 -6.999 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.750 -5.860 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.522 -6.651 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.869 -9.420 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.128 -9.166 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.093 -10.050 -1.733 1.00 0.00 H new ATOM 1479 N THR A 96 -2.123 -7.205 -4.468 1.00 0.00 N ATOM 1480 CA THR A 96 -2.994 -6.394 -5.309 1.00 0.00 C ATOM 1481 C THR A 96 -4.261 -5.992 -4.563 1.00 0.00 C ATOM 1482 O THR A 96 -4.666 -4.830 -4.591 1.00 0.00 O ATOM 1483 CB THR A 96 -3.385 -7.142 -6.598 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.230 -7.757 -7.178 1.00 0.00 O ATOM 1485 CG2 THR A 96 -4.019 -6.193 -7.603 1.00 0.00 C ATOM 0 H THR A 96 -1.584 -7.908 -4.973 1.00 0.00 H new ATOM 0 HA THR A 96 -2.433 -5.498 -5.574 1.00 0.00 H new ATOM 0 HB THR A 96 -4.113 -7.911 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.504 -7.102 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.287 -6.744 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.915 -5.749 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.310 -5.405 -7.856 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.881 -6.960 -3.896 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.103 -6.705 -3.142 1.00 0.00 C ATOM 1495 C GLU A 97 -5.795 -5.978 -1.836 1.00 0.00 C ATOM 1496 O GLU A 97 -6.248 -4.854 -1.617 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.831 -8.019 -2.848 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.329 -8.731 -4.094 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.315 -7.897 -4.888 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.510 -7.887 -4.525 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -7.893 -7.255 -5.873 1.00 0.00 O ATOM 0 H GLU A 97 -4.558 -7.927 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.748 -6.069 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.159 -8.683 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.678 -7.816 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.479 -8.983 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.802 -9.670 -3.807 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.023 -6.628 -0.973 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.654 -6.045 0.313 1.00 0.00 C ATOM 1510 C LEU A 98 -4.368 -4.553 0.172 1.00 0.00 C ATOM 1511 O LEU A 98 -4.862 -3.739 0.952 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.428 -6.758 0.886 1.00 0.00 C ATOM 1513 CG LEU A 98 -3.027 -6.366 2.308 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.008 -5.238 2.284 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.253 -5.963 3.116 1.00 0.00 C ATOM 0 H LEU A 98 -4.640 -7.559 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.494 -6.173 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.615 -7.832 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.581 -6.569 0.226 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.569 -7.231 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.735 -4.973 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.119 -5.562 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.439 -4.369 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.949 -5.687 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.740 -5.113 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.949 -6.800 3.163 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.569 -4.201 -0.830 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.220 -2.807 -1.076 1.00 0.00 C ATOM 1529 C VAL A 99 -4.429 -2.015 -1.562 1.00 0.00 C ATOM 1530 O VAL A 99 -4.683 -0.905 -1.097 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.089 -2.686 -2.115 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.714 -1.227 -2.330 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.878 -3.498 -1.681 1.00 0.00 C ATOM 0 H VAL A 99 -3.151 -4.862 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.877 -2.395 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.446 -3.087 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.914 -1.162 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.584 -0.677 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.376 -0.796 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.089 -3.401 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.518 -3.129 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.159 -4.547 -1.584 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.170 -2.595 -2.501 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.353 -1.942 -3.050 1.00 0.00 C ATOM 1545 C GLU A 100 -7.303 -1.511 -1.936 1.00 0.00 C ATOM 1546 O GLU A 100 -7.854 -0.410 -1.966 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.077 -2.880 -4.018 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.664 -2.694 -5.469 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.796 -2.974 -6.438 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.959 -2.670 -6.097 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.519 -3.497 -7.537 1.00 0.00 O ATOM 0 H GLU A 100 -4.973 -3.514 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.028 -1.053 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.884 -3.912 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.152 -2.719 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.311 -1.673 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.827 -3.356 -5.692 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.491 -2.386 -0.955 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.375 -2.098 0.168 1.00 0.00 C ATOM 1560 C PHE A 101 -7.844 -0.930 0.993 1.00 0.00 C ATOM 1561 O PHE A 101 -8.592 -0.023 1.360 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.528 -3.335 1.055 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.534 -3.163 2.157 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -9.209 -2.459 3.306 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -10.805 -3.703 2.044 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -10.133 -2.299 4.322 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -11.733 -3.546 3.056 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.396 -2.843 4.196 1.00 0.00 C ATOM 0 H PHE A 101 -7.043 -3.301 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.351 -1.823 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.821 -4.182 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.560 -3.580 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.223 -2.031 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.074 -4.253 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.867 -1.749 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.720 -3.972 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.120 -2.719 4.988 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.547 -0.958 1.281 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.915 0.096 2.065 1.00 0.00 C ATOM 1580 C TYR A 102 -5.915 1.417 1.301 1.00 0.00 C ATOM 1581 O TYR A 102 -5.835 2.491 1.898 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.482 -0.297 2.426 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.395 -1.297 3.557 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.205 -1.178 4.679 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.502 -2.360 3.503 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.128 -2.089 5.715 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.419 -3.276 4.533 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.234 -3.136 5.638 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.155 -4.046 6.667 1.00 0.00 O ATOM 0 H TYR A 102 -5.913 -1.699 0.983 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.490 0.227 2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.996 -0.715 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.927 0.600 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.907 -0.360 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.862 -2.472 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.765 -1.982 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.720 -4.097 4.474 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.988 -3.574 7.509 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.006 1.328 -0.022 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.017 2.516 -0.868 1.00 0.00 C ATOM 1601 C GLN A 103 -7.270 3.349 -0.620 1.00 0.00 C ATOM 1602 O GLN A 103 -7.365 4.491 -1.070 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.938 2.118 -2.343 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.542 1.713 -2.789 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.532 1.071 -4.162 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.509 1.156 -4.907 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.424 0.424 -4.505 1.00 0.00 N ATOM 0 H GLN A 103 -6.073 0.447 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.146 3.120 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.623 1.290 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.278 2.953 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.898 2.593 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.120 1.017 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.638 0.379 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.359 -0.028 -5.417 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.228 2.770 0.096 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.476 3.460 0.402 1.00 0.00 C ATOM 1618 C GLN A 104 -9.633 3.660 1.905 1.00 0.00 C ATOM 1619 O GLN A 104 -10.422 4.492 2.351 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.666 2.672 -0.147 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.473 1.165 -0.100 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.516 0.417 -0.907 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.179 0.992 -1.770 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.666 -0.873 -0.629 1.00 0.00 N ATOM 0 H GLN A 104 -8.164 1.825 0.475 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.447 4.440 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.558 2.933 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.846 2.975 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.481 0.918 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.512 0.830 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.094 -1.309 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.353 -1.428 -1.139 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.877 2.891 2.682 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.933 2.984 4.136 1.00 0.00 C ATOM 1635 C ASN A 105 -7.570 3.356 4.711 1.00 0.00 C ATOM 1636 O ASN A 105 -6.534 2.904 4.223 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.406 1.657 4.734 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.760 1.232 4.200 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.794 1.510 4.807 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.759 0.553 3.059 1.00 0.00 N ATOM 0 H ASN A 105 -8.219 2.197 2.329 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.644 3.768 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.672 0.881 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.459 1.749 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.640 0.239 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.877 0.345 2.590 1.00 0.00 H new ATOM 1647 N SER A 106 -7.579 4.184 5.751 1.00 0.00 N ATOM 1648 CA SER A 106 -6.343 4.620 6.391 1.00 0.00 C ATOM 1649 C SER A 106 -5.660 3.457 7.104 1.00 0.00 C ATOM 1650 O SER A 106 -6.312 2.657 7.776 1.00 0.00 O ATOM 1651 CB SER A 106 -6.630 5.746 7.387 1.00 0.00 C ATOM 1652 OG SER A 106 -5.440 6.179 8.023 1.00 0.00 O ATOM 0 H SER A 106 -8.428 4.566 6.168 1.00 0.00 H new ATOM 0 HA SER A 106 -5.673 4.991 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.095 6.585 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.342 5.400 8.137 1.00 0.00 H new ATOM 0 HG SER A 106 -5.649 6.900 8.653 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.343 3.370 6.952 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.570 2.305 7.581 1.00 0.00 C ATOM 1660 C LEU A 107 -3.548 2.470 9.097 1.00 0.00 C ATOM 1661 O LEU A 107 -3.134 1.567 9.825 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.140 2.297 7.037 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.945 1.639 5.670 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.805 0.132 5.819 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.104 1.980 4.744 1.00 0.00 C ATOM 0 H LEU A 107 -3.789 4.024 6.399 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.048 1.354 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.791 3.328 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.501 1.787 7.758 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.027 2.027 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.667 -0.320 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.942 -0.093 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.705 -0.273 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.949 1.504 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.036 1.620 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.158 3.061 4.612 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.998 3.628 9.567 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.034 3.911 10.997 1.00 0.00 C ATOM 1679 C LYS A 108 -4.549 2.706 11.778 1.00 0.00 C ATOM 1680 O LYS A 108 -3.989 2.338 12.810 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.920 5.128 11.274 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.394 4.883 11.000 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.238 6.090 11.373 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.724 5.787 11.257 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.554 6.804 11.960 1.00 0.00 N ATOM 0 H LYS A 108 -4.343 4.386 8.978 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.017 4.126 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.797 5.427 12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.579 5.962 10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.535 4.651 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.731 4.014 11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.006 6.396 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.984 6.928 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.006 5.752 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.927 4.801 11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.560 6.562 11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.303 6.820 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.380 7.742 11.545 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.617 2.095 11.277 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.206 0.930 11.927 1.00 0.00 C ATOM 1701 C ASP A 109 -5.123 0.031 12.516 1.00 0.00 C ATOM 1702 O ASP A 109 -5.205 -0.378 13.675 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.056 0.139 10.930 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.466 0.684 10.811 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.647 1.718 10.134 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -9.387 0.076 11.395 1.00 0.00 O ATOM 0 H ASP A 109 -6.092 2.387 10.423 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.843 1.281 12.739 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.577 0.161 9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.098 -0.905 11.241 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.111 -0.273 11.711 1.00 0.00 N ATOM 1712 CA CYS A 110 -3.013 -1.125 12.152 1.00 0.00 C ATOM 1713 C CYS A 110 -1.960 -0.312 12.899 1.00 0.00 C ATOM 1714 O CYS A 110 -1.335 -0.801 13.840 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.374 -1.830 10.955 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.558 -2.372 9.700 1.00 0.00 S ATOM 0 H CYS A 110 -4.028 0.058 10.750 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.418 -1.874 12.832 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -1.653 -1.156 10.492 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.817 -2.696 11.312 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.634 -1.477 8.760 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.769 0.932 12.473 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.790 1.813 13.100 1.00 0.00 C ATOM 1724 C PHE A 111 -1.378 3.203 13.330 1.00 0.00 C ATOM 1725 O PHE A 111 -1.195 4.109 12.517 1.00 0.00 O ATOM 1726 CB PHE A 111 0.465 1.915 12.232 1.00 0.00 C ATOM 1727 CG PHE A 111 1.198 0.613 12.081 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.953 0.103 13.125 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.131 -0.102 10.897 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.629 -1.095 12.989 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.804 -1.301 10.755 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.553 -1.799 11.803 1.00 0.00 C ATOM 0 H PHE A 111 -2.279 1.353 11.696 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.521 1.387 14.067 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.185 2.282 11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.139 2.653 12.667 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.014 0.648 14.056 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.546 0.282 10.074 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.216 -1.480 13.809 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.744 -1.848 9.826 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.078 -2.737 11.696 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.084 3.362 14.444 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.699 4.640 14.784 1.00 0.00 C ATOM 1744 C LYS A 112 -1.726 5.791 14.549 1.00 0.00 C ATOM 1745 O LYS A 112 -2.114 6.856 14.069 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.158 4.636 16.244 1.00 0.00 C ATOM 1747 CG LYS A 112 -3.932 5.881 16.642 1.00 0.00 C ATOM 1748 CD LYS A 112 -5.430 5.677 16.495 1.00 0.00 C ATOM 1749 CE LYS A 112 -5.834 5.549 15.034 1.00 0.00 C ATOM 1750 NZ LYS A 112 -5.870 4.128 14.591 1.00 0.00 N ATOM 0 H LYS A 112 -2.245 2.622 15.127 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.565 4.782 14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.782 3.759 16.417 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.286 4.539 16.890 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.699 6.141 17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.616 6.721 16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.731 4.780 17.037 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.959 6.516 16.948 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.816 6.000 14.888 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.132 6.105 14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.174 3.983 13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.641 3.508 15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.821 3.899 14.237 1.00 0.00 H new ATOM 1764 N SER A 113 -0.460 5.570 14.890 1.00 0.00 N ATOM 1765 CA SER A 113 0.567 6.590 14.718 1.00 0.00 C ATOM 1766 C SER A 113 0.773 6.911 13.240 1.00 0.00 C ATOM 1767 O SER A 113 1.102 8.041 12.878 1.00 0.00 O ATOM 1768 CB SER A 113 1.886 6.125 15.338 1.00 0.00 C ATOM 1769 OG SER A 113 1.730 5.847 16.719 1.00 0.00 O ATOM 0 H SER A 113 -0.122 4.693 15.287 1.00 0.00 H new ATOM 0 HA SER A 113 0.233 7.495 15.226 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.239 5.232 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.646 6.894 15.202 1.00 0.00 H new ATOM 0 HG SER A 113 2.586 5.550 17.092 1.00 0.00 H new ATOM 1775 N LEU A 114 0.575 5.908 12.391 1.00 0.00 N ATOM 1776 CA LEU A 114 0.738 6.082 10.952 1.00 0.00 C ATOM 1777 C LEU A 114 -0.617 6.185 10.259 1.00 0.00 C ATOM 1778 O LEU A 114 -1.242 5.173 9.942 1.00 0.00 O ATOM 1779 CB LEU A 114 1.536 4.917 10.365 1.00 0.00 C ATOM 1780 CG LEU A 114 1.739 4.937 8.849 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.174 6.319 8.388 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.759 3.888 8.433 1.00 0.00 C ATOM 0 H LEU A 114 0.302 4.967 12.674 1.00 0.00 H new ATOM 0 HA LEU A 114 1.284 7.010 10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.516 4.897 10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.033 3.988 10.632 1.00 0.00 H new ATOM 0 HG LEU A 114 0.789 4.699 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.314 6.315 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.408 7.048 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.112 6.586 8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.890 3.917 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.712 4.094 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.406 2.900 8.729 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.063 7.414 10.025 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.343 7.650 9.366 1.00 0.00 C ATOM 1796 C ASP A 115 -2.140 8.019 7.900 1.00 0.00 C ATOM 1797 O ASP A 115 -2.297 9.177 7.512 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.113 8.761 10.082 1.00 0.00 C ATOM 1799 CG ASP A 115 -2.193 9.762 10.753 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.424 9.354 11.649 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.243 10.954 10.383 1.00 0.00 O ATOM 0 H ASP A 115 -0.558 8.262 10.282 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.923 6.728 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.748 9.280 9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.772 8.319 10.830 1.00 0.00 H new ATOM 1806 N THR A 116 -1.787 7.027 7.088 1.00 0.00 N ATOM 1807 CA THR A 116 -1.560 7.247 5.666 1.00 0.00 C ATOM 1808 C THR A 116 -2.234 6.168 4.827 1.00 0.00 C ATOM 1809 O THR A 116 -2.723 5.169 5.358 1.00 0.00 O ATOM 1810 CB THR A 116 -0.055 7.273 5.335 1.00 0.00 C ATOM 1811 OG1 THR A 116 0.146 7.774 4.008 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.549 5.882 5.454 1.00 0.00 C ATOM 0 H THR A 116 -1.652 6.063 7.392 1.00 0.00 H new ATOM 0 HA THR A 116 -1.996 8.216 5.423 1.00 0.00 H new ATOM 0 HB THR A 116 0.441 7.930 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.090 8.752 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.612 5.925 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.420 5.515 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.049 5.207 4.759 1.00 0.00 H new ATOM 1820 N THR A 117 -2.257 6.373 3.514 1.00 0.00 N ATOM 1821 CA THR A 117 -2.873 5.417 2.602 1.00 0.00 C ATOM 1822 C THR A 117 -2.001 5.191 1.372 1.00 0.00 C ATOM 1823 O THR A 117 -1.067 5.951 1.112 1.00 0.00 O ATOM 1824 CB THR A 117 -4.267 5.890 2.149 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.236 7.289 1.847 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.306 5.622 3.228 1.00 0.00 C ATOM 0 H THR A 117 -1.856 7.193 3.058 1.00 0.00 H new ATOM 0 HA THR A 117 -2.976 4.480 3.149 1.00 0.00 H new ATOM 0 HB THR A 117 -4.543 5.332 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.126 7.581 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.283 5.964 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.348 4.553 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.032 6.157 4.137 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.312 4.143 0.616 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.557 3.818 -0.588 1.00 0.00 C ATOM 1836 C LEU A 118 -1.919 4.763 -1.730 1.00 0.00 C ATOM 1837 O LEU A 118 -2.791 4.462 -2.544 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.823 2.371 -1.006 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.373 1.294 -0.018 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.096 1.473 0.335 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.233 1.328 1.237 1.00 0.00 C ATOM 0 H LEU A 118 -3.082 3.504 0.816 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.497 3.936 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.893 2.254 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.326 2.192 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.495 0.320 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.398 0.698 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.699 1.397 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.244 2.453 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.898 0.555 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.143 2.304 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.274 1.149 0.969 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.241 5.905 -1.783 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.491 6.893 -2.826 1.00 0.00 C ATOM 1855 C GLN A 119 -1.075 6.360 -4.192 1.00 0.00 C ATOM 1856 O GLN A 119 -1.920 6.023 -5.022 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.738 8.190 -2.520 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.873 8.646 -1.077 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.835 10.155 -0.936 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.568 10.874 -1.900 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.104 10.644 0.269 1.00 0.00 N ATOM 0 H GLN A 119 -0.515 6.169 -1.117 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.561 7.099 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.318 8.050 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.106 8.978 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.811 8.270 -0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.069 8.209 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.320 10.011 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.095 11.652 0.424 1.00 0.00 H new ATOM 1870 N PHE A 120 0.232 6.285 -4.420 1.00 0.00 N ATOM 1871 CA PHE A 120 0.761 5.794 -5.687 1.00 0.00 C ATOM 1872 C PHE A 120 2.027 4.972 -5.466 1.00 0.00 C ATOM 1873 O PHE A 120 2.738 5.135 -4.475 1.00 0.00 O ATOM 1874 CB PHE A 120 1.056 6.963 -6.629 1.00 0.00 C ATOM 1875 CG PHE A 120 0.181 8.160 -6.390 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.157 8.140 -6.747 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.699 9.307 -5.810 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.965 9.240 -6.528 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.104 10.410 -5.588 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.437 10.377 -5.949 1.00 0.00 C ATOM 0 H PHE A 120 0.945 6.558 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 120 0.007 5.152 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.099 7.257 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.929 6.630 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.574 7.254 -7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.741 9.339 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.007 9.210 -6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.311 11.297 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.065 11.239 -5.779 1.00 0.00 H new ATOM 1890 N PRO A 121 2.316 4.066 -6.412 1.00 0.00 N ATOM 1891 CA PRO A 121 3.497 3.200 -6.343 1.00 0.00 C ATOM 1892 C PRO A 121 4.796 3.973 -6.549 1.00 0.00 C ATOM 1893 O PRO A 121 4.780 5.138 -6.946 1.00 0.00 O ATOM 1894 CB PRO A 121 3.278 2.209 -7.490 1.00 0.00 C ATOM 1895 CG PRO A 121 2.400 2.932 -8.452 1.00 0.00 C ATOM 1896 CD PRO A 121 1.513 3.817 -7.620 1.00 0.00 C ATOM 0 HA PRO A 121 3.599 2.727 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.223 1.924 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.807 1.292 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.991 3.521 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.809 2.232 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.270 4.744 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.568 3.328 -7.381 1.00 0.00 H new ATOM 1904 N PHE A 122 5.919 3.317 -6.277 1.00 0.00 N ATOM 1905 CA PHE A 122 7.227 3.943 -6.431 1.00 0.00 C ATOM 1906 C PHE A 122 7.676 3.911 -7.889 1.00 0.00 C ATOM 1907 O PHE A 122 8.320 4.842 -8.373 1.00 0.00 O ATOM 1908 CB PHE A 122 8.261 3.238 -5.551 1.00 0.00 C ATOM 1909 CG PHE A 122 8.814 1.984 -6.164 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.110 0.793 -6.093 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.038 1.996 -6.813 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.617 -0.363 -6.655 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.551 0.843 -7.378 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.839 -0.338 -7.300 1.00 0.00 C ATOM 0 H PHE A 122 5.950 2.352 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 122 7.143 4.984 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.082 3.926 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.804 2.993 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.153 0.768 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.598 2.917 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.059 -1.285 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.507 0.866 -7.880 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.236 -1.240 -7.742 1.00 0.00 H new ATOM 1924 N LYS A 123 7.332 2.832 -8.584 1.00 0.00 N ATOM 1925 CA LYS A 123 7.698 2.676 -9.987 1.00 0.00 C ATOM 1926 C LYS A 123 6.893 3.626 -10.868 1.00 0.00 C ATOM 1927 O LYS A 123 7.298 3.941 -11.986 1.00 0.00 O ATOM 1928 CB LYS A 123 7.472 1.231 -10.437 1.00 0.00 C ATOM 1929 CG LYS A 123 8.603 0.291 -10.056 1.00 0.00 C ATOM 1930 CD LYS A 123 8.775 -0.819 -11.079 1.00 0.00 C ATOM 1931 CE LYS A 123 8.004 -2.068 -10.681 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.582 -3.296 -11.295 1.00 0.00 N ATOM 0 H LYS A 123 6.800 2.052 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 123 8.755 2.921 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.543 0.864 -10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.344 1.212 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.532 0.855 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.402 -0.144 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.431 -0.473 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.833 -1.060 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.009 -2.168 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.963 -1.965 -10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.029 -4.125 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.554 -3.212 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.568 -3.409 -10.984 1.00 0.00 H new ATOM 1946 N GLU A 124 5.753 4.079 -10.356 1.00 0.00 N ATOM 1947 CA GLU A 124 4.893 4.993 -11.097 1.00 0.00 C ATOM 1948 C GLU A 124 5.721 5.931 -11.971 1.00 0.00 C ATOM 1949 O GLU A 124 6.661 6.581 -11.511 1.00 0.00 O ATOM 1950 CB GLU A 124 4.027 5.807 -10.134 1.00 0.00 C ATOM 1951 CG GLU A 124 2.618 6.056 -10.646 1.00 0.00 C ATOM 1952 CD GLU A 124 1.915 7.173 -9.899 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.614 8.023 -9.308 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.666 7.197 -9.904 1.00 0.00 O ATOM 0 H GLU A 124 5.404 3.828 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 124 4.246 4.399 -11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.971 5.285 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.511 6.765 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.659 6.303 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.035 5.140 -10.555 1.00 0.00 H new ATOM 1961 N PRO A 125 5.366 6.004 -13.262 1.00 0.00 N ATOM 1962 CA PRO A 125 6.063 6.859 -14.228 1.00 0.00 C ATOM 1963 C PRO A 125 5.814 8.342 -13.974 1.00 0.00 C ATOM 1964 O PRO A 125 4.846 8.713 -13.312 1.00 0.00 O ATOM 1965 CB PRO A 125 5.463 6.438 -15.572 1.00 0.00 C ATOM 1966 CG PRO A 125 4.117 5.896 -15.233 1.00 0.00 C ATOM 1967 CD PRO A 125 4.256 5.257 -13.879 1.00 0.00 C ATOM 0 HA PRO A 125 7.145 6.739 -14.173 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.388 7.284 -16.255 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.080 5.686 -16.063 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.370 6.690 -15.215 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.791 5.168 -15.976 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.339 5.346 -13.297 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.482 4.194 -13.958 1.00 0.00 H new