USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 51 TYR OH : rot -1:sc= 2.1 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.12 K(o=3.2,f=1.2) USER MOD Set 1.3: A 97 MET CE :methyl 171:sc=-0.00171 (180deg=0) USER MOD Set 2.1: A 91 GLN :FLIP amide:sc= -2.02! C(o=-2.9!,f=-1.1!) USER MOD Set 2.2: A 95 THR OG1 : rot 156:sc= 0.949 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.318 K(o=-0.32,f=-4.4!) USER MOD Single : A 30 SER OG : rot -68:sc= 1.22 USER MOD Single : A 33 ASN :FLIP amide:sc= -3.9! C(o=-5.5!,f=-3.9!) USER MOD Single : A 34 MET CE :methyl 176:sc= -1.85 (180deg=-2.08) USER MOD Single : A 38 ASN : amide:sc= 0.06 K(o=0.06,f=-2.4) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 42 THR OG1 : rot 48:sc= -0.112 USER MOD Single : A 43 THR OG1 : rot -166:sc= 0.985 USER MOD Single : A 47 ASN : amide:sc= 0.772 K(o=0.77,f=-4.9!) USER MOD Single : A 52 CYS SG : rot 73:sc= 0.479 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 131:sc= -0.847 USER MOD Single : A 63 MET CE :methyl -171:sc= 0 (180deg=-0.107) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0622) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -2.77 K(o=-2.8,f=-4.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 46:sc= 0.0113 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 336 N GLU A 26 -12.968 -4.503 -10.661 1.00 0.00 N ATOM 337 CA GLU A 26 -11.999 -3.444 -10.288 1.00 0.00 C ATOM 338 C GLU A 26 -11.575 -3.514 -8.800 1.00 0.00 C ATOM 339 O GLU A 26 -11.017 -2.573 -8.247 1.00 0.00 O ATOM 340 CB GLU A 26 -12.649 -2.076 -10.585 1.00 0.00 C ATOM 341 CG GLU A 26 -12.852 -1.839 -12.085 1.00 0.00 C ATOM 342 CD GLU A 26 -13.716 -0.595 -12.328 1.00 0.00 C ATOM 343 OE1 GLU A 26 -14.950 -0.766 -12.354 1.00 0.00 O ATOM 344 OE2 GLU A 26 -13.123 0.490 -12.505 1.00 0.00 O ATOM 0 HA GLU A 26 -11.091 -3.588 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.612 -2.016 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.023 -1.283 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.885 -1.716 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.327 -2.711 -12.534 1.00 0.00 H new ATOM 351 N GLY A 27 -11.670 -4.735 -8.260 1.00 0.00 N ATOM 352 CA GLY A 27 -11.467 -5.027 -6.829 1.00 0.00 C ATOM 353 C GLY A 27 -12.291 -4.143 -5.873 1.00 0.00 C ATOM 354 O GLY A 27 -13.489 -3.962 -6.050 1.00 0.00 O ATOM 0 H GLY A 27 -11.894 -5.564 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.719 -6.072 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.410 -4.908 -6.593 1.00 0.00 H new ATOM 358 N THR A 28 -11.605 -3.784 -4.798 1.00 0.00 N ATOM 359 CA THR A 28 -12.065 -2.825 -3.762 1.00 0.00 C ATOM 360 C THR A 28 -10.919 -2.495 -2.798 1.00 0.00 C ATOM 361 O THR A 28 -10.052 -3.325 -2.519 1.00 0.00 O ATOM 362 CB THR A 28 -13.328 -3.285 -3.008 1.00 0.00 C ATOM 363 OG1 THR A 28 -13.728 -2.262 -2.098 1.00 0.00 O ATOM 364 CG2 THR A 28 -13.182 -4.632 -2.280 1.00 0.00 C ATOM 0 H THR A 28 -10.676 -4.157 -4.601 1.00 0.00 H new ATOM 0 HA THR A 28 -12.361 -1.916 -4.286 1.00 0.00 H new ATOM 0 HB THR A 28 -14.097 -3.455 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.532 -2.548 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.118 -4.877 -1.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.943 -5.412 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.382 -4.563 -1.543 1.00 0.00 H new ATOM 372 N GLN A 29 -10.892 -1.216 -2.427 1.00 0.00 N ATOM 373 CA GLN A 29 -9.866 -0.623 -1.542 1.00 0.00 C ATOM 374 C GLN A 29 -10.552 0.140 -0.397 1.00 0.00 C ATOM 375 O GLN A 29 -11.611 0.721 -0.603 1.00 0.00 O ATOM 376 CB GLN A 29 -8.954 0.332 -2.339 1.00 0.00 C ATOM 377 CG GLN A 29 -8.187 -0.322 -3.497 1.00 0.00 C ATOM 378 CD GLN A 29 -9.034 -0.590 -4.757 1.00 0.00 C ATOM 379 OE1 GLN A 29 -10.021 0.064 -5.049 1.00 0.00 O ATOM 380 NE2 GLN A 29 -8.650 -1.569 -5.551 1.00 0.00 N ATOM 0 H GLN A 29 -11.593 -0.542 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.252 -1.423 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.563 1.143 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.235 0.780 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.349 0.319 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.767 -1.266 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.826 -2.122 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.177 -1.773 -6.400 1.00 0.00 H new ATOM 389 N SER A 30 -9.860 0.163 0.745 1.00 0.00 N ATOM 390 CA SER A 30 -10.247 0.635 2.098 1.00 0.00 C ATOM 391 C SER A 30 -10.414 -0.544 3.063 1.00 0.00 C ATOM 392 O SER A 30 -10.844 -1.632 2.675 1.00 0.00 O ATOM 393 CB SER A 30 -11.452 1.580 2.228 1.00 0.00 C ATOM 394 OG SER A 30 -12.672 0.945 1.815 1.00 0.00 O ATOM 0 H SER A 30 -8.902 -0.187 0.756 1.00 0.00 H new ATOM 0 HA SER A 30 -9.400 1.268 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.546 1.910 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.283 2.471 1.623 1.00 0.00 H new ATOM 0 HG SER A 30 -12.644 0.779 0.850 1.00 0.00 H new ATOM 400 N LEU A 31 -9.969 -0.307 4.299 1.00 0.00 N ATOM 401 CA LEU A 31 -9.950 -1.232 5.470 1.00 0.00 C ATOM 402 C LEU A 31 -8.643 -2.021 5.731 1.00 0.00 C ATOM 403 O LEU A 31 -7.823 -1.487 6.467 1.00 0.00 O ATOM 404 CB LEU A 31 -11.226 -2.064 5.706 1.00 0.00 C ATOM 405 CG LEU A 31 -12.389 -1.282 6.342 1.00 0.00 C ATOM 406 CD1 LEU A 31 -13.116 -0.378 5.348 1.00 0.00 C ATOM 407 CD2 LEU A 31 -13.374 -2.267 6.986 1.00 0.00 C ATOM 0 H LEU A 31 -9.579 0.604 4.542 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.956 -0.491 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.559 -2.474 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.980 -2.910 6.348 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.963 -0.625 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.925 0.146 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.415 0.349 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.527 -0.983 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.198 -1.715 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.763 -2.942 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.861 -2.845 7.755 1.00 0.00 H new ATOM 419 N PRO A 32 -8.371 -3.186 5.109 1.00 0.00 N ATOM 420 CA PRO A 32 -7.326 -4.128 5.590 1.00 0.00 C ATOM 421 C PRO A 32 -5.903 -3.532 5.664 1.00 0.00 C ATOM 422 O PRO A 32 -5.435 -2.890 4.734 1.00 0.00 O ATOM 423 CB PRO A 32 -7.392 -5.318 4.638 1.00 0.00 C ATOM 424 CG PRO A 32 -7.842 -4.692 3.319 1.00 0.00 C ATOM 425 CD PRO A 32 -8.814 -3.603 3.763 1.00 0.00 C ATOM 0 HA PRO A 32 -7.528 -4.403 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.423 -5.808 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.098 -6.072 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.001 -4.278 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.325 -5.423 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.801 -2.762 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.837 -3.979 3.788 1.00 0.00 H new ATOM 433 N ASN A 33 -5.229 -3.904 6.754 1.00 0.00 N ATOM 434 CA ASN A 33 -3.891 -3.472 7.205 1.00 0.00 C ATOM 435 C ASN A 33 -3.140 -2.435 6.341 1.00 0.00 C ATOM 436 O ASN A 33 -2.076 -2.679 5.760 1.00 0.00 O ATOM 437 CB ASN A 33 -3.028 -4.698 7.511 1.00 0.00 C ATOM 438 CG ASN A 33 -3.520 -5.476 8.733 1.00 0.00 C ATOM 439 OD1 ASN A 33 -2.592 -6.100 9.437 1.00 0.00 O flip ATOM 440 ND2 ASN A 33 -4.704 -5.612 9.011 1.00 0.00 N flip ATOM 0 H ASN A 33 -5.636 -4.575 7.406 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.087 -2.897 8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.021 -5.358 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.999 -4.380 7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.415 -5.127 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.980 -6.210 9.790 1.00 0.00 H new ATOM 447 N MET A 34 -3.578 -1.201 6.545 1.00 0.00 N ATOM 448 CA MET A 34 -3.086 -0.038 5.800 1.00 0.00 C ATOM 449 C MET A 34 -2.046 0.755 6.631 1.00 0.00 C ATOM 450 O MET A 34 -2.258 1.896 7.044 1.00 0.00 O ATOM 451 CB MET A 34 -4.336 0.768 5.393 1.00 0.00 C ATOM 452 CG MET A 34 -4.040 1.966 4.498 1.00 0.00 C ATOM 453 SD MET A 34 -3.138 1.558 2.966 1.00 0.00 S ATOM 454 CE MET A 34 -2.491 3.176 2.653 1.00 0.00 C ATOM 0 H MET A 34 -4.291 -0.971 7.237 1.00 0.00 H new ATOM 0 HA MET A 34 -2.538 -0.316 4.900 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.030 0.105 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.839 1.117 6.295 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.981 2.448 4.234 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.458 2.693 5.065 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.836 3.144 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.313 3.866 2.463 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.925 3.516 3.520 1.00 0.00 H new ATOM 464 N ILE A 35 -0.940 0.067 6.890 1.00 0.00 N ATOM 465 CA ILE A 35 0.207 0.644 7.639 1.00 0.00 C ATOM 466 C ILE A 35 1.566 0.019 7.271 1.00 0.00 C ATOM 467 O ILE A 35 1.772 -1.193 7.359 1.00 0.00 O ATOM 468 CB ILE A 35 -0.076 0.667 9.165 1.00 0.00 C ATOM 469 CG1 ILE A 35 1.008 1.470 9.887 1.00 0.00 C ATOM 470 CG2 ILE A 35 -0.284 -0.741 9.744 1.00 0.00 C ATOM 471 CD1 ILE A 35 0.587 1.971 11.278 1.00 0.00 C ATOM 0 H ILE A 35 -0.798 -0.899 6.596 1.00 0.00 H new ATOM 0 HA ILE A 35 0.303 1.682 7.319 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.024 1.177 9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.899 0.850 9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.284 2.326 9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.478 -0.669 10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.133 -1.215 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.612 -1.339 9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.407 2.531 11.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.285 2.618 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.340 1.119 11.912 1.00 0.00 H new ATOM 483 N ILE A 36 2.356 0.834 6.587 1.00 0.00 N ATOM 484 CA ILE A 36 3.803 0.616 6.347 1.00 0.00 C ATOM 485 C ILE A 36 4.596 0.508 7.666 1.00 0.00 C ATOM 486 O ILE A 36 4.310 1.189 8.654 1.00 0.00 O ATOM 487 CB ILE A 36 4.296 1.737 5.407 1.00 0.00 C ATOM 488 CG1 ILE A 36 4.015 1.310 3.959 1.00 0.00 C ATOM 489 CG2 ILE A 36 5.757 2.190 5.594 1.00 0.00 C ATOM 490 CD1 ILE A 36 4.146 2.437 2.919 1.00 0.00 C ATOM 0 H ILE A 36 2.011 1.696 6.164 1.00 0.00 H new ATOM 0 HA ILE A 36 3.973 -0.344 5.859 1.00 0.00 H new ATOM 0 HB ILE A 36 3.734 2.632 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.701 0.506 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.007 0.900 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.987 2.980 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.894 2.567 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.424 1.344 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.930 2.043 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.440 3.234 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.161 2.834 2.939 1.00 0.00 H new ATOM 502 N LEU A 37 5.666 -0.265 7.569 1.00 0.00 N ATOM 503 CA LEU A 37 6.742 -0.267 8.575 1.00 0.00 C ATOM 504 C LEU A 37 7.986 0.409 7.977 1.00 0.00 C ATOM 505 O LEU A 37 8.395 0.137 6.849 1.00 0.00 O ATOM 506 CB LEU A 37 7.048 -1.708 9.009 1.00 0.00 C ATOM 507 CG LEU A 37 8.137 -1.821 10.092 1.00 0.00 C ATOM 508 CD1 LEU A 37 7.646 -1.295 11.445 1.00 0.00 C ATOM 509 CD2 LEU A 37 8.617 -3.265 10.208 1.00 0.00 C ATOM 0 H LEU A 37 5.823 -0.911 6.796 1.00 0.00 H new ATOM 0 HA LEU A 37 6.431 0.290 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.132 -2.166 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.359 -2.281 8.135 1.00 0.00 H new ATOM 0 HG LEU A 37 8.978 -1.196 9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.442 -1.391 12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.366 -0.246 11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.780 -1.873 11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.387 -3.332 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.778 -3.907 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.029 -3.589 9.253 1.00 0.00 H new ATOM 521 N ASN A 38 8.513 1.372 8.733 1.00 0.00 N ATOM 522 CA ASN A 38 9.724 2.132 8.374 1.00 0.00 C ATOM 523 C ASN A 38 10.869 1.726 9.309 1.00 0.00 C ATOM 524 O ASN A 38 10.844 2.004 10.503 1.00 0.00 O ATOM 525 CB ASN A 38 9.415 3.636 8.456 1.00 0.00 C ATOM 526 CG ASN A 38 10.623 4.582 8.311 1.00 0.00 C ATOM 527 OD1 ASN A 38 11.729 4.239 7.919 1.00 0.00 O ATOM 528 ND2 ASN A 38 10.417 5.821 8.702 1.00 0.00 N ATOM 0 H ASN A 38 8.110 1.655 9.626 1.00 0.00 H new ATOM 0 HA ASN A 38 10.034 1.909 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.691 3.881 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.934 3.836 9.414 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.181 6.497 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.494 6.106 9.029 1.00 0.00 H new ATOM 535 N ILE A 39 11.868 1.086 8.699 1.00 0.00 N ATOM 536 CA ILE A 39 13.040 0.565 9.445 1.00 0.00 C ATOM 537 C ILE A 39 14.338 1.329 9.108 1.00 0.00 C ATOM 538 O ILE A 39 15.412 0.757 8.922 1.00 0.00 O ATOM 539 CB ILE A 39 13.059 -0.982 9.347 1.00 0.00 C ATOM 540 CG1 ILE A 39 14.053 -1.637 10.319 1.00 0.00 C ATOM 541 CG2 ILE A 39 13.248 -1.515 7.913 1.00 0.00 C ATOM 542 CD1 ILE A 39 13.616 -1.502 11.781 1.00 0.00 C ATOM 0 H ILE A 39 11.899 0.911 7.695 1.00 0.00 H new ATOM 0 HA ILE A 39 12.954 0.771 10.512 1.00 0.00 H new ATOM 0 HB ILE A 39 12.058 -1.281 9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.158 -2.693 10.070 1.00 0.00 H new ATOM 0 HG13 ILE A 39 15.035 -1.181 10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 13.251 -2.605 7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.431 -1.162 7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 39 14.196 -1.155 7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.352 -1.981 12.427 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.537 -0.446 12.041 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.647 -1.982 11.917 1.00 0.00 H new ATOM 554 N GLY A 40 14.170 2.648 8.997 1.00 0.00 N ATOM 555 CA GLY A 40 15.255 3.629 8.784 1.00 0.00 C ATOM 556 C GLY A 40 15.452 3.936 7.292 1.00 0.00 C ATOM 557 O GLY A 40 16.295 3.327 6.638 1.00 0.00 O ATOM 0 H GLY A 40 13.250 3.084 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.024 4.550 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 40 16.184 3.242 9.203 1.00 0.00 H new ATOM 561 N ASN A 41 14.645 4.880 6.799 1.00 0.00 N ATOM 562 CA ASN A 41 14.570 5.328 5.386 1.00 0.00 C ATOM 563 C ASN A 41 13.994 4.284 4.405 1.00 0.00 C ATOM 564 O ASN A 41 13.611 4.603 3.280 1.00 0.00 O ATOM 565 CB ASN A 41 15.929 5.835 4.873 1.00 0.00 C ATOM 566 CG ASN A 41 16.472 7.016 5.682 1.00 0.00 C ATOM 567 OD1 ASN A 41 15.764 7.893 6.150 1.00 0.00 O ATOM 568 ND2 ASN A 41 17.774 7.038 5.870 1.00 0.00 N ATOM 0 H ASN A 41 13.989 5.384 7.396 1.00 0.00 H new ATOM 0 HA ASN A 41 13.857 6.152 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.650 5.018 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.829 6.132 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.199 7.792 6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.359 6.301 5.476 1.00 0.00 H new ATOM 575 N THR A 42 14.195 3.026 4.773 1.00 0.00 N ATOM 576 CA THR A 42 13.560 1.816 4.197 1.00 0.00 C ATOM 577 C THR A 42 12.095 1.688 4.650 1.00 0.00 C ATOM 578 O THR A 42 11.777 1.548 5.831 1.00 0.00 O ATOM 579 CB THR A 42 14.362 0.575 4.628 1.00 0.00 C ATOM 580 OG1 THR A 42 14.673 0.679 6.021 1.00 0.00 O ATOM 581 CG2 THR A 42 15.616 0.387 3.780 1.00 0.00 C ATOM 0 H THR A 42 14.842 2.793 5.526 1.00 0.00 H new ATOM 0 HA THR A 42 13.563 1.899 3.110 1.00 0.00 H new ATOM 0 HB THR A 42 13.752 -0.314 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.864 0.918 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.153 -0.500 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.333 0.265 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.259 1.261 3.882 1.00 0.00 H new ATOM 589 N THR A 43 11.234 1.750 3.641 1.00 0.00 N ATOM 590 CA THR A 43 9.769 1.662 3.777 1.00 0.00 C ATOM 591 C THR A 43 9.255 0.330 3.220 1.00 0.00 C ATOM 592 O THR A 43 9.308 0.072 2.019 1.00 0.00 O ATOM 593 CB THR A 43 9.024 2.870 3.156 1.00 0.00 C ATOM 594 OG1 THR A 43 7.625 2.608 3.143 1.00 0.00 O ATOM 595 CG2 THR A 43 9.511 3.316 1.778 1.00 0.00 C ATOM 0 H THR A 43 11.536 1.866 2.674 1.00 0.00 H new ATOM 0 HA THR A 43 9.548 1.699 4.844 1.00 0.00 H new ATOM 0 HB THR A 43 9.255 3.718 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.177 3.252 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.919 4.167 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.560 3.605 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.401 2.495 1.070 1.00 0.00 H new ATOM 603 N ILE A 44 8.906 -0.554 4.150 1.00 0.00 N ATOM 604 CA ILE A 44 8.467 -1.926 3.826 1.00 0.00 C ATOM 605 C ILE A 44 6.930 -2.047 3.865 1.00 0.00 C ATOM 606 O ILE A 44 6.269 -1.957 4.903 1.00 0.00 O ATOM 607 CB ILE A 44 9.263 -2.985 4.612 1.00 0.00 C ATOM 608 CG1 ILE A 44 8.958 -4.388 4.059 1.00 0.00 C ATOM 609 CG2 ILE A 44 9.064 -2.903 6.127 1.00 0.00 C ATOM 610 CD1 ILE A 44 10.066 -5.396 4.403 1.00 0.00 C ATOM 0 H ILE A 44 8.916 -0.350 5.149 1.00 0.00 H new ATOM 0 HA ILE A 44 8.718 -2.150 2.789 1.00 0.00 H new ATOM 0 HB ILE A 44 10.321 -2.771 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.009 -4.739 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.841 -4.333 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.655 -3.679 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.385 -1.924 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.010 -3.047 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.809 -6.373 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.010 -5.059 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.166 -5.472 5.486 1.00 0.00 H new ATOM 622 N ILE A 45 6.417 -2.062 2.644 1.00 0.00 N ATOM 623 CA ILE A 45 4.988 -2.093 2.313 1.00 0.00 C ATOM 624 C ILE A 45 4.460 -3.537 2.427 1.00 0.00 C ATOM 625 O ILE A 45 4.750 -4.394 1.587 1.00 0.00 O ATOM 626 CB ILE A 45 4.733 -1.521 0.902 1.00 0.00 C ATOM 627 CG1 ILE A 45 5.515 -0.233 0.633 1.00 0.00 C ATOM 628 CG2 ILE A 45 3.224 -1.242 0.777 1.00 0.00 C ATOM 629 CD1 ILE A 45 5.620 0.145 -0.849 1.00 0.00 C ATOM 0 H ILE A 45 7.008 -2.053 1.813 1.00 0.00 H new ATOM 0 HA ILE A 45 4.450 -1.464 3.022 1.00 0.00 H new ATOM 0 HB ILE A 45 5.073 -2.251 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.039 0.586 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.520 -0.341 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.010 -0.836 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.670 -2.170 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.923 -0.522 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.189 1.069 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.125 -0.653 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.621 0.288 -1.260 1.00 0.00 H new ATOM 641 N ARG A 46 3.821 -3.795 3.563 1.00 0.00 N ATOM 642 CA ARG A 46 3.124 -5.064 3.838 1.00 0.00 C ATOM 643 C ARG A 46 1.950 -5.362 2.870 1.00 0.00 C ATOM 644 O ARG A 46 2.116 -6.140 1.936 1.00 0.00 O ATOM 645 CB ARG A 46 2.748 -5.217 5.323 1.00 0.00 C ATOM 646 CG ARG A 46 1.883 -4.100 5.926 1.00 0.00 C ATOM 647 CD ARG A 46 1.390 -4.447 7.334 1.00 0.00 C ATOM 648 NE ARG A 46 0.490 -5.613 7.285 1.00 0.00 N ATOM 649 CZ ARG A 46 0.187 -6.427 8.300 1.00 0.00 C ATOM 650 NH1 ARG A 46 0.355 -6.087 9.563 1.00 0.00 N ATOM 651 NH2 ARG A 46 -0.541 -7.504 8.039 1.00 0.00 N ATOM 0 H ARG A 46 3.767 -3.127 4.332 1.00 0.00 H new ATOM 0 HA ARG A 46 3.851 -5.848 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.220 -6.163 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.668 -5.288 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.460 -3.176 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.026 -3.916 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.240 -4.661 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.868 -3.593 7.765 1.00 0.00 H new ATOM 0 HE ARG A 46 0.055 -5.819 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.731 -5.168 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.109 -6.743 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.852 -7.690 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.790 -8.146 8.792 1.00 0.00 H new ATOM 665 N ASN A 47 0.824 -4.687 3.045 1.00 0.00 N ATOM 666 CA ASN A 47 -0.383 -4.840 2.188 1.00 0.00 C ATOM 667 C ASN A 47 -0.294 -4.037 0.876 1.00 0.00 C ATOM 668 O ASN A 47 -1.227 -3.339 0.470 1.00 0.00 O ATOM 669 CB ASN A 47 -1.633 -4.505 3.011 1.00 0.00 C ATOM 670 CG ASN A 47 -1.923 -5.503 4.138 1.00 0.00 C ATOM 671 OD1 ASN A 47 -1.064 -5.920 4.905 1.00 0.00 O ATOM 672 ND2 ASN A 47 -3.172 -5.883 4.286 1.00 0.00 N ATOM 0 H ASN A 47 0.703 -4.003 3.792 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.449 -5.879 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.516 -3.510 3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -2.494 -4.465 2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.424 -6.524 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.889 -5.537 3.649 1.00 0.00 H new ATOM 679 N PHE A 48 0.780 -4.306 0.142 1.00 0.00 N ATOM 680 CA PHE A 48 1.155 -3.590 -1.099 1.00 0.00 C ATOM 681 C PHE A 48 0.070 -3.546 -2.189 1.00 0.00 C ATOM 682 O PHE A 48 -0.223 -2.479 -2.716 1.00 0.00 O ATOM 683 CB PHE A 48 2.478 -4.132 -1.674 1.00 0.00 C ATOM 684 CG PHE A 48 2.467 -5.628 -1.979 1.00 0.00 C ATOM 685 CD1 PHE A 48 1.958 -6.101 -3.198 1.00 0.00 C ATOM 686 CD2 PHE A 48 2.875 -6.547 -0.996 1.00 0.00 C ATOM 687 CE1 PHE A 48 1.814 -7.476 -3.413 1.00 0.00 C ATOM 688 CE2 PHE A 48 2.734 -7.919 -1.221 1.00 0.00 C ATOM 689 CZ PHE A 48 2.202 -8.387 -2.421 1.00 0.00 C ATOM 0 H PHE A 48 1.439 -5.045 0.389 1.00 0.00 H new ATOM 0 HA PHE A 48 1.283 -2.554 -0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.712 -3.589 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.280 -3.924 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.677 -5.402 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.297 -6.193 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.403 -7.836 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.039 -8.621 -0.460 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.089 -9.448 -2.586 1.00 0.00 H new ATOM 699 N ALA A 49 -0.620 -4.668 -2.372 1.00 0.00 N ATOM 700 CA ALA A 49 -1.739 -4.809 -3.327 1.00 0.00 C ATOM 701 C ALA A 49 -2.847 -3.772 -3.113 1.00 0.00 C ATOM 702 O ALA A 49 -3.322 -3.153 -4.074 1.00 0.00 O ATOM 703 CB ALA A 49 -2.303 -6.235 -3.235 1.00 0.00 C ATOM 0 H ALA A 49 -0.422 -5.526 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.346 -4.624 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.129 -6.346 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.520 -6.953 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.661 -6.420 -2.222 1.00 0.00 H new ATOM 709 N GLU A 50 -3.183 -3.526 -1.847 1.00 0.00 N ATOM 710 CA GLU A 50 -4.122 -2.466 -1.441 1.00 0.00 C ATOM 711 C GLU A 50 -3.467 -1.082 -1.520 1.00 0.00 C ATOM 712 O GLU A 50 -3.893 -0.240 -2.318 1.00 0.00 O ATOM 713 CB GLU A 50 -4.664 -2.688 -0.023 1.00 0.00 C ATOM 714 CG GLU A 50 -5.426 -4.003 0.128 1.00 0.00 C ATOM 715 CD GLU A 50 -4.559 -5.046 0.848 1.00 0.00 C ATOM 716 OE1 GLU A 50 -3.619 -5.557 0.213 1.00 0.00 O ATOM 717 OE2 GLU A 50 -4.847 -5.282 2.050 1.00 0.00 O ATOM 0 H GLU A 50 -2.810 -4.060 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.956 -2.511 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.834 -2.673 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.323 -1.861 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.345 -3.835 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.716 -4.377 -0.854 1.00 0.00 H new ATOM 724 N TYR A 51 -2.285 -0.986 -0.915 1.00 0.00 N ATOM 725 CA TYR A 51 -1.480 0.250 -0.769 1.00 0.00 C ATOM 726 C TYR A 51 -1.267 1.057 -2.062 1.00 0.00 C ATOM 727 O TYR A 51 -1.511 2.262 -2.084 1.00 0.00 O ATOM 728 CB TYR A 51 -0.122 -0.160 -0.188 1.00 0.00 C ATOM 729 CG TYR A 51 0.123 0.460 1.191 1.00 0.00 C ATOM 730 CD1 TYR A 51 0.615 1.765 1.265 1.00 0.00 C ATOM 731 CD2 TYR A 51 -0.149 -0.255 2.367 1.00 0.00 C ATOM 732 CE1 TYR A 51 0.806 2.375 2.505 1.00 0.00 C ATOM 733 CE2 TYR A 51 0.068 0.348 3.610 1.00 0.00 C ATOM 734 CZ TYR A 51 0.529 1.668 3.684 1.00 0.00 C ATOM 735 OH TYR A 51 0.714 2.273 4.887 1.00 0.00 O ATOM 0 H TYR A 51 -1.832 -1.796 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.040 0.921 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.074 -1.246 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.671 0.147 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.849 2.304 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.524 -1.266 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.167 3.392 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.121 -0.207 4.517 1.00 0.00 H new ATOM 0 HH TYR A 51 1.051 3.183 4.747 1.00 0.00 H new ATOM 745 N CYS A 52 -0.925 0.354 -3.147 1.00 0.00 N ATOM 746 CA CYS A 52 -0.752 0.963 -4.491 1.00 0.00 C ATOM 747 C CYS A 52 -2.000 1.718 -4.975 1.00 0.00 C ATOM 748 O CYS A 52 -1.941 2.927 -5.206 1.00 0.00 O ATOM 749 CB CYS A 52 -0.372 -0.120 -5.498 1.00 0.00 C ATOM 750 SG CYS A 52 1.212 -0.953 -5.117 1.00 0.00 S ATOM 0 H CYS A 52 -0.758 -0.652 -3.129 1.00 0.00 H new ATOM 0 HA CYS A 52 0.046 1.701 -4.409 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.166 -0.866 -5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.309 0.325 -6.491 1.00 0.00 H new ATOM 0 HG CYS A 52 1.052 -1.744 -4.098 1.00 0.00 H new ATOM 756 N ASP A 53 -3.153 1.095 -4.745 1.00 0.00 N ATOM 757 CA ASP A 53 -4.470 1.643 -5.101 1.00 0.00 C ATOM 758 C ASP A 53 -5.155 2.370 -3.915 1.00 0.00 C ATOM 759 O ASP A 53 -6.373 2.448 -3.818 1.00 0.00 O ATOM 760 CB ASP A 53 -5.338 0.504 -5.653 1.00 0.00 C ATOM 761 CG ASP A 53 -4.761 -0.111 -6.925 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.938 -1.048 -6.770 1.00 0.00 O ATOM 763 OD2 ASP A 53 -5.147 0.348 -8.024 1.00 0.00 O ATOM 0 H ASP A 53 -3.205 0.179 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.338 2.407 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.440 -0.271 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.339 0.882 -5.859 1.00 0.00 H new ATOM 768 N ARG A 54 -4.313 2.841 -2.990 1.00 0.00 N ATOM 769 CA ARG A 54 -4.693 3.719 -1.872 1.00 0.00 C ATOM 770 C ARG A 54 -4.031 5.101 -2.016 1.00 0.00 C ATOM 771 O ARG A 54 -4.586 6.101 -1.573 1.00 0.00 O ATOM 772 CB ARG A 54 -4.256 3.105 -0.539 1.00 0.00 C ATOM 773 CG ARG A 54 -4.997 1.839 -0.118 1.00 0.00 C ATOM 774 CD ARG A 54 -6.369 2.136 0.507 1.00 0.00 C ATOM 775 NE ARG A 54 -6.574 1.247 1.667 1.00 0.00 N ATOM 776 CZ ARG A 54 -6.937 -0.040 1.663 1.00 0.00 C ATOM 777 NH1 ARG A 54 -7.201 -0.710 0.547 1.00 0.00 N ATOM 778 NH2 ARG A 54 -7.014 -0.691 2.821 1.00 0.00 N ATOM 0 H ARG A 54 -3.318 2.617 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.777 3.830 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.191 2.878 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.381 3.854 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.130 1.195 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.388 1.287 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.422 3.179 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.159 1.982 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.420 1.666 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.130 -0.243 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.474 -1.692 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.798 -0.208 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.289 -1.673 2.837 1.00 0.00 H new ATOM 792 N ILE A 55 -2.768 5.104 -2.468 1.00 0.00 N ATOM 793 CA ILE A 55 -2.106 6.307 -2.990 1.00 0.00 C ATOM 794 C ILE A 55 -2.741 6.726 -4.329 1.00 0.00 C ATOM 795 O ILE A 55 -3.292 7.821 -4.434 1.00 0.00 O ATOM 796 CB ILE A 55 -0.554 6.194 -2.995 1.00 0.00 C ATOM 797 CG1 ILE A 55 0.202 7.465 -3.400 1.00 0.00 C ATOM 798 CG2 ILE A 55 -0.009 4.909 -3.641 1.00 0.00 C ATOM 799 CD1 ILE A 55 0.228 7.852 -4.883 1.00 0.00 C ATOM 0 H ILE A 55 -2.178 4.272 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.285 7.132 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.321 6.091 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.229 8.299 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.234 7.359 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.080 4.915 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.387 4.041 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.333 4.859 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.800 8.771 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.694 7.053 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.791 8.007 -5.236 1.00 0.00 H new ATOM 811 N ARG A 56 -2.737 5.816 -5.312 1.00 0.00 N ATOM 812 CA ARG A 56 -3.435 6.051 -6.588 1.00 0.00 C ATOM 813 C ARG A 56 -3.609 4.779 -7.422 1.00 0.00 C ATOM 814 O ARG A 56 -2.665 4.072 -7.752 1.00 0.00 O ATOM 815 CB ARG A 56 -2.729 7.124 -7.424 1.00 0.00 C ATOM 816 CG ARG A 56 -3.635 7.776 -8.477 1.00 0.00 C ATOM 817 CD ARG A 56 -4.815 8.520 -7.839 1.00 0.00 C ATOM 818 NE ARG A 56 -6.041 7.700 -7.832 1.00 0.00 N ATOM 819 CZ ARG A 56 -6.688 7.220 -6.761 1.00 0.00 C ATOM 820 NH1 ARG A 56 -6.220 7.324 -5.522 1.00 0.00 N ATOM 821 NH2 ARG A 56 -7.810 6.549 -6.944 1.00 0.00 N ATOM 0 H ARG A 56 -2.262 4.915 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.430 6.403 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.345 7.897 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.869 6.677 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.050 8.472 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.013 7.010 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.559 8.799 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.000 9.445 -8.385 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.440 7.473 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.327 7.787 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.753 6.941 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.169 6.404 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.317 6.175 -6.142 1.00 0.00 H new ATOM 835 N ARG A 57 -4.858 4.612 -7.850 1.00 0.00 N ATOM 836 CA ARG A 57 -5.251 3.566 -8.824 1.00 0.00 C ATOM 837 C ARG A 57 -4.629 3.771 -10.209 1.00 0.00 C ATOM 838 O ARG A 57 -4.271 2.819 -10.897 1.00 0.00 O ATOM 839 CB ARG A 57 -6.783 3.522 -8.916 1.00 0.00 C ATOM 840 CG ARG A 57 -7.396 3.046 -7.601 1.00 0.00 C ATOM 841 CD ARG A 57 -8.916 3.202 -7.583 1.00 0.00 C ATOM 842 NE ARG A 57 -9.444 2.831 -6.259 1.00 0.00 N ATOM 843 CZ ARG A 57 -9.424 3.554 -5.130 1.00 0.00 C ATOM 844 NH1 ARG A 57 -8.562 4.536 -4.913 1.00 0.00 N ATOM 845 NH2 ARG A 57 -10.042 3.071 -4.064 1.00 0.00 N ATOM 0 H ARG A 57 -5.636 5.193 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.867 2.612 -8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.165 4.513 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.083 2.855 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.138 1.999 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.965 3.612 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.187 4.232 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.364 2.572 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.878 1.911 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.870 4.773 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.590 5.055 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.517 2.170 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.043 3.600 -3.192 1.00 0.00 H new ATOM 859 N GLU A 58 -4.417 5.034 -10.572 1.00 0.00 N ATOM 860 CA GLU A 58 -3.796 5.442 -11.847 1.00 0.00 C ATOM 861 C GLU A 58 -2.271 5.258 -11.844 1.00 0.00 C ATOM 862 O GLU A 58 -1.494 6.155 -11.528 1.00 0.00 O ATOM 863 CB GLU A 58 -4.206 6.881 -12.216 1.00 0.00 C ATOM 864 CG GLU A 58 -5.642 7.016 -12.755 1.00 0.00 C ATOM 865 CD GLU A 58 -6.758 6.649 -11.761 1.00 0.00 C ATOM 866 OE1 GLU A 58 -6.625 6.998 -10.568 1.00 0.00 O ATOM 867 OE2 GLU A 58 -7.715 5.992 -12.213 1.00 0.00 O ATOM 0 H GLU A 58 -4.675 5.825 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.175 4.777 -12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.101 7.513 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.512 7.262 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.794 8.045 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.742 6.383 -13.637 1.00 0.00 H new ATOM 874 N ASP A 59 -1.909 3.989 -12.057 1.00 0.00 N ATOM 875 CA ASP A 59 -0.535 3.449 -12.208 1.00 0.00 C ATOM 876 C ASP A 59 0.615 4.465 -12.391 1.00 0.00 C ATOM 877 O ASP A 59 1.416 4.640 -11.481 1.00 0.00 O ATOM 878 CB ASP A 59 -0.492 2.389 -13.313 1.00 0.00 C ATOM 879 CG ASP A 59 -1.359 1.164 -12.990 1.00 0.00 C ATOM 880 OD1 ASP A 59 -2.561 1.239 -13.325 1.00 0.00 O ATOM 881 OD2 ASP A 59 -0.799 0.206 -12.424 1.00 0.00 O ATOM 0 H ASP A 59 -2.610 3.253 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.331 3.013 -11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.830 2.832 -14.250 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.539 2.070 -13.465 1.00 0.00 H new ATOM 886 N LYS A 60 0.597 5.192 -13.514 1.00 0.00 N ATOM 887 CA LYS A 60 1.644 6.164 -13.873 1.00 0.00 C ATOM 888 C LYS A 60 1.947 7.218 -12.794 1.00 0.00 C ATOM 889 O LYS A 60 3.038 7.204 -12.235 1.00 0.00 O ATOM 890 CB LYS A 60 1.335 6.842 -15.216 1.00 0.00 C ATOM 891 CG LYS A 60 1.498 5.870 -16.391 1.00 0.00 C ATOM 892 CD LYS A 60 1.286 6.585 -17.718 1.00 0.00 C ATOM 893 CE LYS A 60 1.494 5.618 -18.891 1.00 0.00 C ATOM 894 NZ LYS A 60 1.363 6.325 -20.172 1.00 0.00 N ATOM 0 H LYS A 60 -0.149 5.124 -14.206 1.00 0.00 H new ATOM 0 HA LYS A 60 2.554 5.570 -13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.316 7.229 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.999 7.695 -15.354 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.494 5.427 -16.367 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.783 5.053 -16.295 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.279 7.001 -17.757 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.980 7.421 -17.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.481 5.160 -18.821 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.763 4.811 -18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.507 5.655 -20.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.413 6.742 -20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.077 7.080 -20.227 1.00 0.00 H new ATOM 908 N ILE A 61 0.940 8.014 -12.406 1.00 0.00 N ATOM 909 CA ILE A 61 1.097 9.054 -11.365 1.00 0.00 C ATOM 910 C ILE A 61 1.437 8.459 -9.979 1.00 0.00 C ATOM 911 O ILE A 61 2.326 8.982 -9.299 1.00 0.00 O ATOM 912 CB ILE A 61 -0.088 10.050 -11.364 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.197 11.230 -10.423 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.430 9.362 -11.048 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.698 12.449 -10.650 1.00 0.00 C ATOM 0 H ILE A 61 -0.000 7.960 -12.798 1.00 0.00 H new ATOM 0 HA ILE A 61 1.972 9.650 -11.625 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.187 10.448 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.079 10.894 -9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.238 11.531 -10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.230 10.102 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.633 8.598 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.378 8.899 -10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.429 13.234 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.563 12.815 -11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.740 12.168 -10.500 1.00 0.00 H new ATOM 927 N CYS A 62 0.881 7.290 -9.675 1.00 0.00 N ATOM 928 CA CYS A 62 1.190 6.509 -8.453 1.00 0.00 C ATOM 929 C CYS A 62 2.694 6.168 -8.378 1.00 0.00 C ATOM 930 O CYS A 62 3.387 6.601 -7.459 1.00 0.00 O ATOM 931 CB CYS A 62 0.321 5.247 -8.481 1.00 0.00 C ATOM 932 SG CYS A 62 0.517 4.130 -7.042 1.00 0.00 S ATOM 0 H CYS A 62 0.189 6.840 -10.274 1.00 0.00 H new ATOM 0 HA CYS A 62 0.966 7.092 -7.559 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.725 5.547 -8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.550 4.688 -9.388 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.654 3.816 -6.573 1.00 0.00 H new ATOM 938 N MET A 63 3.192 5.556 -9.455 1.00 0.00 N ATOM 939 CA MET A 63 4.622 5.213 -9.642 1.00 0.00 C ATOM 940 C MET A 63 5.521 6.467 -9.644 1.00 0.00 C ATOM 941 O MET A 63 6.518 6.520 -8.933 1.00 0.00 O ATOM 942 CB MET A 63 4.752 4.427 -10.943 1.00 0.00 C ATOM 943 CG MET A 63 6.135 3.776 -11.117 1.00 0.00 C ATOM 944 SD MET A 63 6.300 2.826 -12.671 1.00 0.00 S ATOM 945 CE MET A 63 5.240 1.432 -12.342 1.00 0.00 C ATOM 0 H MET A 63 2.608 5.275 -10.243 1.00 0.00 H new ATOM 0 HA MET A 63 4.963 4.605 -8.805 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.986 3.652 -10.971 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.562 5.094 -11.784 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.900 4.552 -11.092 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.325 3.113 -10.273 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.362 0.688 -13.129 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.507 0.991 -11.382 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.202 1.763 -12.314 1.00 0.00 H new ATOM 955 N LYS A 64 5.091 7.495 -10.362 1.00 0.00 N ATOM 956 CA LYS A 64 5.802 8.782 -10.448 1.00 0.00 C ATOM 957 C LYS A 64 5.953 9.464 -9.074 1.00 0.00 C ATOM 958 O LYS A 64 7.055 9.877 -8.728 1.00 0.00 O ATOM 959 CB LYS A 64 5.077 9.691 -11.451 1.00 0.00 C ATOM 960 CG LYS A 64 5.965 10.863 -11.891 1.00 0.00 C ATOM 961 CD LYS A 64 5.296 11.697 -12.980 1.00 0.00 C ATOM 962 CE LYS A 64 6.152 12.901 -13.392 1.00 0.00 C ATOM 963 NZ LYS A 64 7.447 12.502 -13.967 1.00 0.00 N ATOM 0 H LYS A 64 4.231 7.468 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 64 6.816 8.592 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.782 9.109 -12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.162 10.075 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.186 11.496 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.917 10.481 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.109 11.071 -13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.327 12.047 -12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.604 13.500 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.324 13.535 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.936 13.342 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.031 12.057 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.290 11.825 -14.740 1.00 0.00 H new ATOM 977 N TYR A 65 4.914 9.406 -8.240 1.00 0.00 N ATOM 978 CA TYR A 65 4.945 9.917 -6.856 1.00 0.00 C ATOM 979 C TYR A 65 6.001 9.166 -6.012 1.00 0.00 C ATOM 980 O TYR A 65 6.890 9.807 -5.448 1.00 0.00 O ATOM 981 CB TYR A 65 3.557 9.792 -6.229 1.00 0.00 C ATOM 982 CG TYR A 65 3.225 10.754 -5.074 1.00 0.00 C ATOM 983 CD1 TYR A 65 4.214 11.325 -4.240 1.00 0.00 C ATOM 984 CD2 TYR A 65 1.875 10.997 -4.780 1.00 0.00 C ATOM 985 CE1 TYR A 65 3.840 12.085 -3.127 1.00 0.00 C ATOM 986 CE2 TYR A 65 1.505 11.745 -3.660 1.00 0.00 C ATOM 987 CZ TYR A 65 2.494 12.291 -2.825 1.00 0.00 C ATOM 988 OH TYR A 65 2.133 12.986 -1.716 1.00 0.00 O ATOM 0 H TYR A 65 4.016 9.000 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 65 5.229 10.969 -6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.816 9.937 -7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.440 8.771 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.260 11.174 -4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.110 10.599 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.602 12.517 -2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.460 11.903 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 65 1.156 13.033 -1.663 1.00 0.00 H new ATOM 998 N LEU A 66 5.992 7.827 -6.082 1.00 0.00 N ATOM 999 CA LEU A 66 7.023 6.988 -5.426 1.00 0.00 C ATOM 1000 C LEU A 66 8.428 7.007 -6.073 1.00 0.00 C ATOM 1001 O LEU A 66 9.300 6.220 -5.720 1.00 0.00 O ATOM 1002 CB LEU A 66 6.493 5.574 -5.155 1.00 0.00 C ATOM 1003 CG LEU A 66 6.036 4.748 -6.359 1.00 0.00 C ATOM 1004 CD1 LEU A 66 7.180 3.933 -6.969 1.00 0.00 C ATOM 1005 CD2 LEU A 66 4.870 3.843 -5.954 1.00 0.00 C ATOM 0 H LEU A 66 5.283 7.294 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 66 7.209 7.470 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.275 5.015 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.653 5.656 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 66 5.700 5.439 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.807 3.363 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.970 4.607 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.578 3.248 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.548 3.257 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.190 3.172 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.040 4.455 -5.601 1.00 0.00 H new ATOM 1017 N LEU A 67 8.601 7.904 -7.037 1.00 0.00 N ATOM 1018 CA LEU A 67 9.916 8.282 -7.593 1.00 0.00 C ATOM 1019 C LEU A 67 10.280 9.720 -7.157 1.00 0.00 C ATOM 1020 O LEU A 67 11.285 9.927 -6.488 1.00 0.00 O ATOM 1021 CB LEU A 67 9.875 8.151 -9.115 1.00 0.00 C ATOM 1022 CG LEU A 67 11.208 8.431 -9.810 1.00 0.00 C ATOM 1023 CD1 LEU A 67 12.240 7.328 -9.535 1.00 0.00 C ATOM 1024 CD2 LEU A 67 10.981 8.601 -11.310 1.00 0.00 C ATOM 0 H LEU A 67 7.824 8.404 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 67 10.689 7.615 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.550 7.143 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.124 8.837 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 67 11.616 9.356 -9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.172 7.566 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.422 7.260 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.859 6.374 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.933 8.800 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.546 7.689 -11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.302 9.436 -11.483 1.00 0.00 H new ATOM 1036 N LYS A 68 9.363 10.665 -7.385 1.00 0.00 N ATOM 1037 CA LYS A 68 9.527 12.090 -7.032 1.00 0.00 C ATOM 1038 C LYS A 68 9.765 12.349 -5.532 1.00 0.00 C ATOM 1039 O LYS A 68 10.652 13.119 -5.169 1.00 0.00 O ATOM 1040 CB LYS A 68 8.316 12.912 -7.490 1.00 0.00 C ATOM 1041 CG LYS A 68 8.195 12.975 -9.014 1.00 0.00 C ATOM 1042 CD LYS A 68 7.073 13.910 -9.481 1.00 0.00 C ATOM 1043 CE LYS A 68 5.662 13.421 -9.116 1.00 0.00 C ATOM 1044 NZ LYS A 68 4.654 14.342 -9.654 1.00 0.00 N ATOM 0 H LYS A 68 8.467 10.463 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 68 10.428 12.405 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.407 12.477 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.396 13.924 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.142 13.312 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.012 11.973 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.230 14.896 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.138 14.027 -10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.501 12.420 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.561 13.352 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.704 14.003 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.801 15.290 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.742 14.387 -10.689 1.00 0.00 H new ATOM 1058 N GLU A 69 9.040 11.619 -4.687 1.00 0.00 N ATOM 1059 CA GLU A 69 9.196 11.694 -3.218 1.00 0.00 C ATOM 1060 C GLU A 69 10.400 10.874 -2.694 1.00 0.00 C ATOM 1061 O GLU A 69 10.588 10.710 -1.488 1.00 0.00 O ATOM 1062 CB GLU A 69 7.874 11.224 -2.614 1.00 0.00 C ATOM 1063 CG GLU A 69 7.658 11.591 -1.136 1.00 0.00 C ATOM 1064 CD GLU A 69 7.521 13.100 -0.925 1.00 0.00 C ATOM 1065 OE1 GLU A 69 6.380 13.581 -1.103 1.00 0.00 O ATOM 1066 OE2 GLU A 69 8.550 13.742 -0.640 1.00 0.00 O ATOM 0 H GLU A 69 8.326 10.957 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 69 9.419 12.718 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.056 11.645 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.813 10.140 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.761 11.092 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.495 11.219 -0.546 1.00 0.00 H new ATOM 1073 N LEU A 70 11.256 10.405 -3.596 1.00 0.00 N ATOM 1074 CA LEU A 70 12.417 9.570 -3.255 1.00 0.00 C ATOM 1075 C LEU A 70 13.745 10.239 -3.626 1.00 0.00 C ATOM 1076 O LEU A 70 14.373 9.948 -4.647 1.00 0.00 O ATOM 1077 CB LEU A 70 12.276 8.174 -3.879 1.00 0.00 C ATOM 1078 CG LEU A 70 11.550 7.151 -3.004 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.061 7.448 -2.795 1.00 0.00 C ATOM 1080 CD2 LEU A 70 11.733 5.762 -3.620 1.00 0.00 C ATOM 0 H LEU A 70 11.168 10.592 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 70 12.435 9.453 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.742 8.266 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.271 7.793 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 70 11.997 7.204 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.621 6.676 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.948 8.419 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.554 7.461 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.220 5.021 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.314 5.752 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.795 5.522 -3.667 1.00 0.00 H new ATOM 1092 N ALA A 71 14.193 11.105 -2.718 1.00 0.00 N ATOM 1093 CA ALA A 71 15.549 11.692 -2.730 1.00 0.00 C ATOM 1094 C ALA A 71 16.674 10.688 -2.403 1.00 0.00 C ATOM 1095 O ALA A 71 17.862 11.021 -2.362 1.00 0.00 O ATOM 1096 CB ALA A 71 15.574 12.854 -1.732 1.00 0.00 C ATOM 0 H ALA A 71 13.622 11.429 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 71 15.750 12.030 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 71 16.567 13.304 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.839 13.603 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.335 12.483 -0.735 1.00 0.00 H new ATOM 1102 N ALA A 72 16.286 9.414 -2.340 1.00 0.00 N ATOM 1103 CA ALA A 72 17.098 8.254 -1.949 1.00 0.00 C ATOM 1104 C ALA A 72 16.858 7.110 -2.954 1.00 0.00 C ATOM 1105 O ALA A 72 15.762 7.047 -3.514 1.00 0.00 O ATOM 1106 CB ALA A 72 16.669 7.848 -0.530 1.00 0.00 C ATOM 0 H ALA A 72 15.331 9.143 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 72 18.163 8.487 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.253 6.987 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.839 8.680 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.610 7.589 -0.530 1.00 0.00 H new ATOM 1112 N PRO A 73 17.869 6.280 -3.255 1.00 0.00 N ATOM 1113 CA PRO A 73 17.761 5.194 -4.239 1.00 0.00 C ATOM 1114 C PRO A 73 16.764 4.095 -3.835 1.00 0.00 C ATOM 1115 O PRO A 73 17.056 3.238 -2.996 1.00 0.00 O ATOM 1116 CB PRO A 73 19.189 4.679 -4.433 1.00 0.00 C ATOM 1117 CG PRO A 73 19.861 4.980 -3.097 1.00 0.00 C ATOM 1118 CD PRO A 73 19.236 6.312 -2.682 1.00 0.00 C ATOM 0 HA PRO A 73 17.343 5.558 -5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.204 3.613 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.690 5.186 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.666 4.198 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.943 5.058 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.209 6.416 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.808 7.156 -3.069 1.00 0.00 H new ATOM 1126 N GLY A 74 15.567 4.203 -4.410 1.00 0.00 N ATOM 1127 CA GLY A 74 14.440 3.282 -4.203 1.00 0.00 C ATOM 1128 C GLY A 74 14.708 1.806 -4.526 1.00 0.00 C ATOM 1129 O GLY A 74 14.546 1.372 -5.662 1.00 0.00 O ATOM 0 H GLY A 74 15.343 4.960 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.125 3.354 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.603 3.621 -4.814 1.00 0.00 H new ATOM 1133 N ASN A 75 15.223 1.104 -3.526 1.00 0.00 N ATOM 1134 CA ASN A 75 15.262 -0.377 -3.502 1.00 0.00 C ATOM 1135 C ASN A 75 13.856 -0.975 -3.662 1.00 0.00 C ATOM 1136 O ASN A 75 12.869 -0.339 -3.317 1.00 0.00 O ATOM 1137 CB ASN A 75 15.863 -0.876 -2.183 1.00 0.00 C ATOM 1138 CG ASN A 75 17.329 -0.464 -2.013 1.00 0.00 C ATOM 1139 OD1 ASN A 75 17.653 0.614 -1.541 1.00 0.00 O ATOM 1140 ND2 ASN A 75 18.241 -1.321 -2.414 1.00 0.00 N ATOM 0 H ASN A 75 15.632 1.536 -2.697 1.00 0.00 H new ATOM 0 HA ASN A 75 15.883 -0.699 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.280 -0.483 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.787 -1.963 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.231 -1.088 -2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.959 -2.219 -2.807 1.00 0.00 H new ATOM 1147 N VAL A 76 13.811 -2.162 -4.263 1.00 0.00 N ATOM 1148 CA VAL A 76 12.548 -2.899 -4.463 1.00 0.00 C ATOM 1149 C VAL A 76 12.616 -4.336 -3.913 1.00 0.00 C ATOM 1150 O VAL A 76 13.550 -5.086 -4.197 1.00 0.00 O ATOM 1151 CB VAL A 76 12.100 -2.801 -5.932 1.00 0.00 C ATOM 1152 CG1 VAL A 76 13.019 -3.511 -6.925 1.00 0.00 C ATOM 1153 CG2 VAL A 76 10.639 -3.220 -6.105 1.00 0.00 C ATOM 0 H VAL A 76 14.635 -2.643 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 76 11.766 -2.424 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 76 12.182 -1.744 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.627 -3.390 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.018 -3.078 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.069 -4.572 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.359 -3.138 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.515 -4.252 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.001 -2.569 -5.507 1.00 0.00 H new ATOM 1163 N ASP A 77 11.682 -4.605 -3.003 1.00 0.00 N ATOM 1164 CA ASP A 77 11.376 -5.926 -2.397 1.00 0.00 C ATOM 1165 C ASP A 77 12.420 -6.435 -1.384 1.00 0.00 C ATOM 1166 O ASP A 77 13.612 -6.121 -1.439 1.00 0.00 O ATOM 1167 CB ASP A 77 11.114 -6.991 -3.472 1.00 0.00 C ATOM 1168 CG ASP A 77 10.536 -8.323 -2.953 1.00 0.00 C ATOM 1169 OD1 ASP A 77 9.776 -8.261 -1.961 1.00 0.00 O ATOM 1170 OD2 ASP A 77 10.884 -9.358 -3.547 1.00 0.00 O ATOM 0 H ASP A 77 11.075 -3.871 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 77 10.466 -5.755 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.425 -6.578 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.050 -7.198 -3.991 1.00 0.00 H new ATOM 1175 N ASP A 78 11.879 -7.089 -0.364 1.00 0.00 N ATOM 1176 CA ASP A 78 12.620 -7.845 0.663 1.00 0.00 C ATOM 1177 C ASP A 78 12.118 -9.302 0.577 1.00 0.00 C ATOM 1178 O ASP A 78 11.973 -9.820 -0.524 1.00 0.00 O ATOM 1179 CB ASP A 78 12.320 -7.134 1.994 1.00 0.00 C ATOM 1180 CG ASP A 78 13.380 -7.330 3.079 1.00 0.00 C ATOM 1181 OD1 ASP A 78 13.569 -8.506 3.480 1.00 0.00 O ATOM 1182 OD2 ASP A 78 13.921 -6.298 3.535 1.00 0.00 O ATOM 0 H ASP A 78 10.870 -7.114 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 78 13.703 -7.878 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.209 -6.067 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.362 -7.491 2.373 1.00 0.00 H new ATOM 1187 N LYS A 79 11.944 -9.998 1.705 1.00 0.00 N ATOM 1188 CA LYS A 79 11.306 -11.320 1.781 1.00 0.00 C ATOM 1189 C LYS A 79 9.819 -11.269 1.372 1.00 0.00 C ATOM 1190 O LYS A 79 8.926 -11.107 2.212 1.00 0.00 O ATOM 1191 CB LYS A 79 11.439 -11.871 3.218 1.00 0.00 C ATOM 1192 CG LYS A 79 12.887 -12.068 3.699 1.00 0.00 C ATOM 1193 CD LYS A 79 13.586 -13.234 3.005 1.00 0.00 C ATOM 1194 CE LYS A 79 14.997 -13.422 3.582 1.00 0.00 C ATOM 1195 NZ LYS A 79 15.655 -14.594 2.987 1.00 0.00 N ATOM 0 H LYS A 79 12.250 -9.651 2.614 1.00 0.00 H new ATOM 0 HA LYS A 79 11.814 -11.980 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.933 -11.190 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.918 -12.827 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.452 -11.153 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.888 -12.238 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.006 -14.147 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.645 -13.047 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.594 -12.530 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.939 -13.543 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.607 -14.701 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.095 -15.447 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.729 -14.465 1.958 1.00 0.00 H new ATOM 1209 N GLY A 80 9.593 -11.237 0.057 1.00 0.00 N ATOM 1210 CA GLY A 80 8.265 -11.184 -0.593 1.00 0.00 C ATOM 1211 C GLY A 80 7.599 -9.790 -0.538 1.00 0.00 C ATOM 1212 O GLY A 80 7.132 -9.274 -1.553 1.00 0.00 O ATOM 0 H GLY A 80 10.356 -11.247 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.369 -11.486 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.607 -11.910 -0.115 1.00 0.00 H new ATOM 1216 N GLU A 81 7.533 -9.246 0.672 1.00 0.00 N ATOM 1217 CA GLU A 81 7.048 -7.881 0.955 1.00 0.00 C ATOM 1218 C GLU A 81 7.941 -6.769 0.389 1.00 0.00 C ATOM 1219 O GLU A 81 9.173 -6.796 0.496 1.00 0.00 O ATOM 1220 CB GLU A 81 6.719 -7.632 2.447 1.00 0.00 C ATOM 1221 CG GLU A 81 7.291 -8.597 3.502 1.00 0.00 C ATOM 1222 CD GLU A 81 8.808 -8.545 3.750 1.00 0.00 C ATOM 1223 OE1 GLU A 81 9.567 -8.377 2.780 1.00 0.00 O ATOM 1224 OE2 GLU A 81 9.178 -8.691 4.937 1.00 0.00 O ATOM 0 H GLU A 81 7.821 -9.748 1.512 1.00 0.00 H new ATOM 0 HA GLU A 81 6.105 -7.828 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.061 -6.628 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.634 -7.634 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.787 -8.401 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.031 -9.614 3.207 1.00 0.00 H new ATOM 1231 N LEU A 82 7.275 -5.717 -0.059 1.00 0.00 N ATOM 1232 CA LEU A 82 7.893 -4.666 -0.891 1.00 0.00 C ATOM 1233 C LEU A 82 8.567 -3.527 -0.103 1.00 0.00 C ATOM 1234 O LEU A 82 7.911 -2.599 0.352 1.00 0.00 O ATOM 1235 CB LEU A 82 6.868 -4.111 -1.890 1.00 0.00 C ATOM 1236 CG LEU A 82 6.614 -4.925 -3.177 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.875 -5.060 -4.023 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.965 -6.295 -2.914 1.00 0.00 C ATOM 0 H LEU A 82 6.287 -5.556 0.138 1.00 0.00 H new ATOM 0 HA LEU A 82 8.708 -5.155 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.917 -4.000 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.190 -3.112 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 82 5.887 -4.349 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.652 -5.640 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.228 -4.070 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.648 -5.567 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.814 -6.814 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.617 -6.889 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.003 -6.153 -2.421 1.00 0.00 H new ATOM 1250 N VAL A 83 9.851 -3.722 0.198 1.00 0.00 N ATOM 1251 CA VAL A 83 10.685 -2.618 0.705 1.00 0.00 C ATOM 1252 C VAL A 83 11.129 -1.685 -0.438 1.00 0.00 C ATOM 1253 O VAL A 83 11.496 -2.149 -1.514 1.00 0.00 O ATOM 1254 CB VAL A 83 11.862 -3.123 1.582 1.00 0.00 C ATOM 1255 CG1 VAL A 83 13.037 -3.721 0.806 1.00 0.00 C ATOM 1256 CG2 VAL A 83 12.342 -2.010 2.527 1.00 0.00 C ATOM 0 H VAL A 83 10.335 -4.615 0.104 1.00 0.00 H new ATOM 0 HA VAL A 83 10.069 -2.016 1.373 1.00 0.00 H new ATOM 0 HB VAL A 83 11.456 -3.954 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.808 -4.045 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.692 -4.576 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.450 -2.969 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.167 -2.380 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.678 -1.155 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.521 -1.705 3.176 1.00 0.00 H new ATOM 1266 N ILE A 84 10.809 -0.422 -0.230 1.00 0.00 N ATOM 1267 CA ILE A 84 11.239 0.724 -1.062 1.00 0.00 C ATOM 1268 C ILE A 84 12.120 1.647 -0.199 1.00 0.00 C ATOM 1269 O ILE A 84 12.025 1.647 1.025 1.00 0.00 O ATOM 1270 CB ILE A 84 9.961 1.363 -1.692 1.00 0.00 C ATOM 1271 CG1 ILE A 84 9.573 0.648 -2.989 1.00 0.00 C ATOM 1272 CG2 ILE A 84 10.045 2.866 -1.979 1.00 0.00 C ATOM 1273 CD1 ILE A 84 8.828 -0.675 -2.815 1.00 0.00 C ATOM 0 H ILE A 84 10.218 -0.137 0.551 1.00 0.00 H new ATOM 0 HA ILE A 84 11.870 0.449 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 84 9.202 1.235 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.951 1.319 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.479 0.461 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.106 3.206 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.230 3.404 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.859 3.058 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.601 -1.097 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.451 -1.372 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 84 7.899 -0.501 -2.271 1.00 0.00 H new ATOM 1285 N GLN A 85 13.053 2.358 -0.830 1.00 0.00 N ATOM 1286 CA GLN A 85 13.994 3.235 -0.097 1.00 0.00 C ATOM 1287 C GLN A 85 13.853 4.719 -0.464 1.00 0.00 C ATOM 1288 O GLN A 85 14.321 5.170 -1.511 1.00 0.00 O ATOM 1289 CB GLN A 85 15.409 2.690 -0.307 1.00 0.00 C ATOM 1290 CG GLN A 85 16.391 3.024 0.823 1.00 0.00 C ATOM 1291 CD GLN A 85 16.782 4.497 0.891 1.00 0.00 C ATOM 1292 OE1 GLN A 85 17.746 4.948 0.289 1.00 0.00 O ATOM 1293 NE2 GLN A 85 16.053 5.276 1.656 1.00 0.00 N ATOM 0 H GLN A 85 13.186 2.351 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 85 13.754 3.213 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.355 1.607 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.803 3.086 -1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.946 2.733 1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.293 2.425 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.250 4.894 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.289 6.264 1.751 1.00 0.00 H new ATOM 1302 N GLY A 86 13.108 5.414 0.383 1.00 0.00 N ATOM 1303 CA GLY A 86 12.859 6.875 0.281 1.00 0.00 C ATOM 1304 C GLY A 86 11.687 7.332 1.164 1.00 0.00 C ATOM 1305 O GLY A 86 11.149 6.537 1.946 1.00 0.00 O ATOM 0 H GLY A 86 12.643 4.985 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.760 7.416 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.651 7.134 -0.757 1.00 0.00 H new ATOM 1309 N LYS A 87 11.166 8.516 0.860 1.00 0.00 N ATOM 1310 CA LYS A 87 10.106 9.171 1.664 1.00 0.00 C ATOM 1311 C LYS A 87 8.666 8.711 1.334 1.00 0.00 C ATOM 1312 O LYS A 87 7.715 9.492 1.294 1.00 0.00 O ATOM 1313 CB LYS A 87 10.244 10.694 1.609 1.00 0.00 C ATOM 1314 CG LYS A 87 11.510 11.205 2.311 1.00 0.00 C ATOM 1315 CD LYS A 87 11.549 12.734 2.303 1.00 0.00 C ATOM 1316 CE LYS A 87 12.784 13.253 3.036 1.00 0.00 C ATOM 1317 NZ LYS A 87 12.766 14.717 3.121 1.00 0.00 N ATOM 0 H LYS A 87 11.459 9.061 0.049 1.00 0.00 H new ATOM 0 HA LYS A 87 10.269 8.839 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.257 11.015 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.369 11.150 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.535 10.840 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.394 10.810 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.553 13.096 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.649 13.127 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.822 12.827 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.684 12.926 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.615 15.046 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.753 15.120 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.917 15.024 3.638 1.00 0.00 H new ATOM 1331 N PHE A 88 8.529 7.400 1.214 1.00 0.00 N ATOM 1332 CA PHE A 88 7.234 6.711 1.029 1.00 0.00 C ATOM 1333 C PHE A 88 6.900 5.832 2.242 1.00 0.00 C ATOM 1334 O PHE A 88 6.361 4.729 2.134 1.00 0.00 O ATOM 1335 CB PHE A 88 7.268 5.943 -0.297 1.00 0.00 C ATOM 1336 CG PHE A 88 6.330 6.557 -1.341 1.00 0.00 C ATOM 1337 CD1 PHE A 88 6.410 7.919 -1.668 1.00 0.00 C ATOM 1338 CD2 PHE A 88 5.284 5.785 -1.863 1.00 0.00 C ATOM 1339 CE1 PHE A 88 5.425 8.509 -2.476 1.00 0.00 C ATOM 1340 CE2 PHE A 88 4.299 6.375 -2.672 1.00 0.00 C ATOM 1341 CZ PHE A 88 4.362 7.742 -2.967 1.00 0.00 C ATOM 0 H PHE A 88 9.323 6.760 1.241 1.00 0.00 H new ATOM 0 HA PHE A 88 6.422 7.436 0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.287 5.935 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.985 4.905 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.231 8.515 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.235 4.729 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.488 9.559 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.493 5.774 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.594 8.203 -3.571 1.00 0.00 H new ATOM 1351 N SER A 89 7.244 6.355 3.412 1.00 0.00 N ATOM 1352 CA SER A 89 7.177 5.659 4.709 1.00 0.00 C ATOM 1353 C SER A 89 6.167 6.263 5.680 1.00 0.00 C ATOM 1354 O SER A 89 6.395 7.314 6.285 1.00 0.00 O ATOM 1355 CB SER A 89 8.577 5.596 5.348 1.00 0.00 C ATOM 1356 OG SER A 89 9.231 6.865 5.276 1.00 0.00 O ATOM 0 H SER A 89 7.591 7.310 3.496 1.00 0.00 H new ATOM 0 HA SER A 89 6.820 4.650 4.500 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.492 5.286 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.179 4.843 4.839 1.00 0.00 H new ATOM 0 HG SER A 89 8.608 7.570 5.550 1.00 0.00 H new ATOM 1362 N SER A 90 4.971 5.676 5.638 1.00 0.00 N ATOM 1363 CA SER A 90 3.806 5.966 6.517 1.00 0.00 C ATOM 1364 C SER A 90 3.164 7.365 6.435 1.00 0.00 C ATOM 1365 O SER A 90 2.134 7.620 7.061 1.00 0.00 O ATOM 1366 CB SER A 90 4.081 5.567 7.973 1.00 0.00 C ATOM 1367 OG SER A 90 4.468 4.183 8.005 1.00 0.00 O ATOM 0 H SER A 90 4.763 4.944 4.958 1.00 0.00 H new ATOM 0 HA SER A 90 3.035 5.327 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.870 6.190 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.192 5.725 8.583 1.00 0.00 H new ATOM 0 HG SER A 90 4.648 3.915 8.930 1.00 0.00 H new ATOM 1373 N GLN A 91 3.878 8.323 5.851 1.00 0.00 N ATOM 1374 CA GLN A 91 3.321 9.607 5.372 1.00 0.00 C ATOM 1375 C GLN A 91 2.724 9.364 3.966 1.00 0.00 C ATOM 1376 O GLN A 91 2.242 8.270 3.696 1.00 0.00 O ATOM 1377 CB GLN A 91 4.486 10.607 5.418 1.00 0.00 C ATOM 1378 CG GLN A 91 4.068 12.067 5.657 1.00 0.00 C ATOM 1379 CD GLN A 91 3.753 12.825 4.369 1.00 0.00 C ATOM 1380 OE1 GLN A 91 2.484 12.979 4.031 1.00 0.00 O flip ATOM 1381 NE2 GLN A 91 4.617 13.152 3.568 1.00 0.00 N flip ATOM 0 H GLN A 91 4.881 8.237 5.689 1.00 0.00 H new ATOM 0 HA GLN A 91 2.508 10.013 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.175 10.306 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.034 10.549 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.191 12.085 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.867 12.584 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.602 13.042 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.352 13.535 2.660 1.00 0.00 H new ATOM 1390 N VAL A 92 2.628 10.407 3.117 1.00 0.00 N ATOM 1391 CA VAL A 92 2.195 10.365 1.701 1.00 0.00 C ATOM 1392 C VAL A 92 0.934 9.535 1.395 1.00 0.00 C ATOM 1393 O VAL A 92 -0.173 10.024 1.617 1.00 0.00 O ATOM 1394 CB VAL A 92 3.355 10.144 0.696 1.00 0.00 C ATOM 1395 CG1 VAL A 92 4.226 11.400 0.621 1.00 0.00 C ATOM 1396 CG2 VAL A 92 4.250 8.927 1.002 1.00 0.00 C ATOM 0 H VAL A 92 2.863 11.354 3.415 1.00 0.00 H new ATOM 0 HA VAL A 92 1.849 11.384 1.531 1.00 0.00 H new ATOM 0 HB VAL A 92 2.874 9.936 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.039 11.237 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.620 12.244 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.640 11.615 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.033 8.852 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.705 9.048 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.646 8.019 0.990 1.00 0.00 H new ATOM 1406 N ILE A 93 1.122 8.250 1.126 1.00 0.00 N ATOM 1407 CA ILE A 93 0.050 7.244 0.886 1.00 0.00 C ATOM 1408 C ILE A 93 -0.959 7.237 2.049 1.00 0.00 C ATOM 1409 O ILE A 93 -2.161 7.302 1.832 1.00 0.00 O ATOM 1410 CB ILE A 93 0.651 5.826 0.761 1.00 0.00 C ATOM 1411 CG1 ILE A 93 1.892 5.782 -0.149 1.00 0.00 C ATOM 1412 CG2 ILE A 93 -0.424 4.880 0.214 1.00 0.00 C ATOM 1413 CD1 ILE A 93 2.793 4.577 0.130 1.00 0.00 C ATOM 0 H ILE A 93 2.056 7.845 1.062 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.453 7.518 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 93 0.976 5.515 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.572 5.756 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.467 6.698 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.012 3.875 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.274 4.862 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.752 5.229 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.651 4.601 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.140 4.614 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.231 3.657 -0.031 1.00 0.00 H new ATOM 1425 N ASN A 94 -0.441 7.191 3.278 1.00 0.00 N ATOM 1426 CA ASN A 94 -1.267 7.179 4.502 1.00 0.00 C ATOM 1427 C ASN A 94 -2.022 8.491 4.768 1.00 0.00 C ATOM 1428 O ASN A 94 -3.178 8.477 5.161 1.00 0.00 O ATOM 1429 CB ASN A 94 -0.435 6.758 5.706 1.00 0.00 C ATOM 1430 CG ASN A 94 -0.027 5.281 5.591 1.00 0.00 C ATOM 1431 OD1 ASN A 94 0.899 4.906 4.878 1.00 0.00 O ATOM 1432 ND2 ASN A 94 -0.800 4.429 6.229 1.00 0.00 N ATOM 0 H ASN A 94 0.562 7.161 3.460 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.046 6.437 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.456 7.383 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.006 6.913 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.637 3.426 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -1.562 4.771 6.814 1.00 0.00 H new ATOM 1439 N THR A 95 -1.378 9.617 4.431 1.00 0.00 N ATOM 1440 CA THR A 95 -2.025 10.944 4.417 1.00 0.00 C ATOM 1441 C THR A 95 -3.168 10.984 3.380 1.00 0.00 C ATOM 1442 O THR A 95 -4.279 11.411 3.684 1.00 0.00 O ATOM 1443 CB THR A 95 -0.967 12.030 4.166 1.00 0.00 C ATOM 1444 OG1 THR A 95 0.096 11.875 5.113 1.00 0.00 O ATOM 1445 CG2 THR A 95 -1.538 13.453 4.299 1.00 0.00 C ATOM 0 H THR A 95 -0.395 9.638 4.160 1.00 0.00 H new ATOM 0 HA THR A 95 -2.479 11.140 5.388 1.00 0.00 H new ATOM 0 HB THR A 95 -0.611 11.907 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.917 12.267 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.748 14.181 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.340 13.593 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.931 13.595 5.306 1.00 0.00 H new ATOM 1453 N LEU A 96 -2.910 10.399 2.205 1.00 0.00 N ATOM 1454 CA LEU A 96 -3.912 10.233 1.132 1.00 0.00 C ATOM 1455 C LEU A 96 -5.066 9.297 1.549 1.00 0.00 C ATOM 1456 O LEU A 96 -6.228 9.647 1.387 1.00 0.00 O ATOM 1457 CB LEU A 96 -3.205 9.754 -0.130 1.00 0.00 C ATOM 1458 CG LEU A 96 -3.848 10.277 -1.415 1.00 0.00 C ATOM 1459 CD1 LEU A 96 -2.788 10.361 -2.511 1.00 0.00 C ATOM 1460 CD2 LEU A 96 -4.994 9.372 -1.883 1.00 0.00 C ATOM 0 H LEU A 96 -1.993 10.022 1.964 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.382 11.196 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.163 10.071 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.206 8.664 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.261 11.264 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.243 10.734 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.994 11.039 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.370 9.370 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.426 9.776 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.611 8.369 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.761 9.326 -1.109 1.00 0.00 H new ATOM 1472 N MET A 97 -4.758 8.169 2.197 1.00 0.00 N ATOM 1473 CA MET A 97 -5.808 7.298 2.765 1.00 0.00 C ATOM 1474 C MET A 97 -6.584 7.928 3.944 1.00 0.00 C ATOM 1475 O MET A 97 -7.685 7.505 4.251 1.00 0.00 O ATOM 1476 CB MET A 97 -5.298 5.881 3.077 1.00 0.00 C ATOM 1477 CG MET A 97 -4.466 5.711 4.357 1.00 0.00 C ATOM 1478 SD MET A 97 -5.448 5.688 5.908 1.00 0.00 S ATOM 1479 CE MET A 97 -4.140 5.494 7.093 1.00 0.00 C ATOM 0 H MET A 97 -3.805 7.835 2.343 1.00 0.00 H new ATOM 0 HA MET A 97 -6.547 7.195 1.970 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.159 5.216 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 97 -4.696 5.543 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.900 4.782 4.287 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.740 6.522 4.414 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.539 5.620 8.099 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.707 4.498 6.997 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.370 6.244 6.911 1.00 0.00 H new ATOM 1489 N GLU A 98 -5.963 8.867 4.656 1.00 0.00 N ATOM 1490 CA GLU A 98 -6.676 9.671 5.679 1.00 0.00 C ATOM 1491 C GLU A 98 -7.860 10.453 5.076 1.00 0.00 C ATOM 1492 O GLU A 98 -8.912 10.535 5.690 1.00 0.00 O ATOM 1493 CB GLU A 98 -5.667 10.593 6.369 1.00 0.00 C ATOM 1494 CG GLU A 98 -6.207 11.214 7.663 1.00 0.00 C ATOM 1495 CD GLU A 98 -5.167 12.159 8.259 1.00 0.00 C ATOM 1496 OE1 GLU A 98 -5.156 13.346 7.863 1.00 0.00 O ATOM 1497 OE2 GLU A 98 -4.341 11.662 9.061 1.00 0.00 O ATOM 0 H GLU A 98 -4.975 9.098 4.553 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.114 9.003 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.762 10.028 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.383 11.390 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.130 11.757 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.451 10.429 8.379 1.00 0.00 H new ATOM 1504 N ARG A 99 -7.697 10.958 3.852 1.00 0.00 N ATOM 1505 CA ARG A 99 -8.816 11.558 3.084 1.00 0.00 C ATOM 1506 C ARG A 99 -9.668 10.548 2.291 1.00 0.00 C ATOM 1507 O ARG A 99 -10.853 10.769 2.090 1.00 0.00 O ATOM 1508 CB ARG A 99 -8.337 12.751 2.250 1.00 0.00 C ATOM 1509 CG ARG A 99 -7.385 12.405 1.100 1.00 0.00 C ATOM 1510 CD ARG A 99 -6.561 13.590 0.595 1.00 0.00 C ATOM 1511 NE ARG A 99 -7.409 14.653 0.022 1.00 0.00 N ATOM 1512 CZ ARG A 99 -6.988 15.705 -0.675 1.00 0.00 C ATOM 1513 NH1 ARG A 99 -5.703 16.013 -0.790 1.00 0.00 N ATOM 1514 NH2 ARG A 99 -7.868 16.566 -1.177 1.00 0.00 N ATOM 0 H ARG A 99 -6.803 10.969 3.361 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.518 11.942 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.209 13.259 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.839 13.459 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.706 11.618 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.966 12.000 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.974 13.999 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.855 13.244 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.414 14.574 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.997 15.434 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.421 16.829 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.866 16.420 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.545 17.372 -1.711 1.00 0.00 H new ATOM 1528 N PHE A 100 -9.023 9.495 1.767 1.00 0.00 N ATOM 1529 CA PHE A 100 -9.679 8.359 1.097 1.00 0.00 C ATOM 1530 C PHE A 100 -10.448 7.431 2.059 1.00 0.00 C ATOM 1531 O PHE A 100 -11.627 7.646 2.335 1.00 0.00 O ATOM 1532 CB PHE A 100 -8.635 7.640 0.217 1.00 0.00 C ATOM 1533 CG PHE A 100 -9.149 6.350 -0.445 1.00 0.00 C ATOM 1534 CD1 PHE A 100 -10.147 6.409 -1.420 1.00 0.00 C ATOM 1535 CD2 PHE A 100 -8.805 5.107 0.128 1.00 0.00 C ATOM 1536 CE1 PHE A 100 -10.835 5.244 -1.799 1.00 0.00 C ATOM 1537 CE2 PHE A 100 -9.500 3.946 -0.240 1.00 0.00 C ATOM 1538 CZ PHE A 100 -10.518 4.021 -1.190 1.00 0.00 C ATOM 0 H PHE A 100 -8.007 9.406 1.797 1.00 0.00 H new ATOM 0 HA PHE A 100 -10.471 8.736 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.299 8.325 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.765 7.400 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.391 7.353 -1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.005 5.050 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.604 5.290 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.248 2.997 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.067 3.130 -1.459 1.00 0.00 H new ATOM 1548 N LEU A 101 -9.721 6.525 2.707 1.00 0.00 N ATOM 1549 CA LEU A 101 -10.243 5.488 3.632 1.00 0.00 C ATOM 1550 C LEU A 101 -10.991 6.120 4.829 1.00 0.00 C ATOM 1551 O LEU A 101 -12.103 5.713 5.140 1.00 0.00 O ATOM 1552 CB LEU A 101 -9.024 4.662 4.079 1.00 0.00 C ATOM 1553 CG LEU A 101 -9.293 3.325 4.787 1.00 0.00 C ATOM 1554 CD1 LEU A 101 -8.009 2.486 4.731 1.00 0.00 C ATOM 1555 CD2 LEU A 101 -9.688 3.486 6.258 1.00 0.00 C ATOM 0 H LEU A 101 -8.707 6.480 2.607 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.979 4.852 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.414 4.459 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.425 5.281 4.746 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.129 2.850 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.177 1.531 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.734 2.310 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.203 3.020 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.863 2.504 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.884 3.987 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.598 4.082 6.327 1.00 0.00 H new ATOM 1567 N LYS A 102 -10.405 7.173 5.404 1.00 0.00 N ATOM 1568 CA LYS A 102 -11.005 7.878 6.565 1.00 0.00 C ATOM 1569 C LYS A 102 -11.843 9.115 6.192 1.00 0.00 C ATOM 1570 O LYS A 102 -12.170 9.926 7.060 1.00 0.00 O ATOM 1571 CB LYS A 102 -9.901 8.256 7.564 1.00 0.00 C ATOM 1572 CG LYS A 102 -9.259 7.046 8.251 1.00 0.00 C ATOM 1573 CD LYS A 102 -8.293 7.521 9.327 1.00 0.00 C ATOM 1574 CE LYS A 102 -7.689 6.337 10.094 1.00 0.00 C ATOM 1575 NZ LYS A 102 -6.877 6.804 11.222 1.00 0.00 N ATOM 0 H LYS A 102 -9.516 7.564 5.093 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.708 7.180 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.128 8.821 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.320 8.916 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.030 6.415 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.731 6.437 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.495 8.106 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.814 8.180 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.487 5.690 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.075 5.738 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.479 5.986 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.104 7.403 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.472 7.355 11.873 1.00 0.00 H new ATOM 1589 N ALA A 103 -12.431 9.078 5.000 1.00 0.00 N ATOM 1590 CA ALA A 103 -13.240 10.171 4.414 1.00 0.00 C ATOM 1591 C ALA A 103 -14.331 10.759 5.339 1.00 0.00 C ATOM 1592 O ALA A 103 -14.317 11.953 5.625 1.00 0.00 O ATOM 1593 CB ALA A 103 -13.894 9.655 3.134 1.00 0.00 C ATOM 0 H ALA A 103 -12.363 8.266 4.387 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.547 10.992 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.495 10.447 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.122 9.345 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.533 8.804 3.369 1.00 0.00 H new ATOM 1599 N TYR A 104 -15.100 9.853 5.954 1.00 0.00 N ATOM 1600 CA TYR A 104 -16.233 10.161 6.848 1.00 0.00 C ATOM 1601 C TYR A 104 -15.867 10.925 8.138 1.00 0.00 C ATOM 1602 O TYR A 104 -16.736 11.492 8.791 1.00 0.00 O ATOM 1603 CB TYR A 104 -16.916 8.833 7.189 1.00 0.00 C ATOM 1604 CG TYR A 104 -18.428 8.974 7.369 1.00 0.00 C ATOM 1605 CD1 TYR A 104 -19.270 8.764 6.268 1.00 0.00 C ATOM 1606 CD2 TYR A 104 -18.988 9.152 8.645 1.00 0.00 C ATOM 1607 CE1 TYR A 104 -20.658 8.704 6.446 1.00 0.00 C ATOM 1608 CE2 TYR A 104 -20.371 9.084 8.820 1.00 0.00 C ATOM 1609 CZ TYR A 104 -21.213 8.849 7.720 1.00 0.00 C ATOM 1610 OH TYR A 104 -22.536 8.629 7.920 1.00 0.00 O ATOM 0 H TYR A 104 -14.949 8.850 5.842 1.00 0.00 H new ATOM 0 HA TYR A 104 -16.892 10.846 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -16.715 8.112 6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -16.482 8.431 8.104 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -18.848 8.648 5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -18.347 9.342 9.493 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -21.303 8.545 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -20.796 9.213 9.805 1.00 0.00 H new ATOM 0 HH TYR A 104 -22.753 8.774 8.865 1.00 0.00 H new