USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=15 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 75 ASN : amide:sc= 0.672 K(o=1.3,f=-2.5!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.603 K(o=1.3,f=-3.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.02 K(o=-1,f=-1.9) USER MOD Single : A 30 SER OG : rot -134:sc= 0.991 USER MOD Single : A 33 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.21) USER MOD Single : A 34 MET CE :methyl -149:sc= -3.32! (180deg=-4.1!) USER MOD Single : A 38 ASN : amide:sc= 0.399 K(o=0.4,f=-3.7!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -114:sc= 1.29 USER MOD Single : A 47 ASN : amide:sc= 0.102 K(o=0.1,f=-4.1!) USER MOD Single : A 51 TYR OH : rot 141:sc= -0.443 USER MOD Single : A 52 CYS SG : rot 71:sc= 0.443 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.44!) 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 13:sc= 0.104 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.2) USER MOD Single : A 95 THR OG1 : rot 174:sc= 0.672 USER MOD Single : A 97 MET CE :methyl 139:sc= -0.482 (180deg=-0.83) 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 -11.652 -2.383 -10.895 1.00 0.00 N ATOM 337 CA GLU A 26 -10.554 -2.954 -10.073 1.00 0.00 C ATOM 338 C GLU A 26 -11.010 -3.764 -8.837 1.00 0.00 C ATOM 339 O GLU A 26 -10.360 -4.736 -8.461 1.00 0.00 O ATOM 340 CB GLU A 26 -9.568 -1.863 -9.636 1.00 0.00 C ATOM 341 CG GLU A 26 -8.751 -1.242 -10.782 1.00 0.00 C ATOM 342 CD GLU A 26 -9.551 -0.336 -11.730 1.00 0.00 C ATOM 343 OE1 GLU A 26 -10.486 0.341 -11.242 1.00 0.00 O ATOM 344 OE2 GLU A 26 -9.200 -0.313 -12.924 1.00 0.00 O ATOM 0 HA GLU A 26 -10.065 -3.668 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.122 -1.071 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.880 -2.286 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.933 -0.663 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.301 -2.046 -11.365 1.00 0.00 H new ATOM 351 N GLY A 27 -12.060 -3.279 -8.186 1.00 0.00 N ATOM 352 CA GLY A 27 -12.643 -3.902 -6.979 1.00 0.00 C ATOM 353 C GLY A 27 -12.501 -2.995 -5.745 1.00 0.00 C ATOM 354 O GLY A 27 -12.226 -1.792 -5.848 1.00 0.00 O ATOM 0 H GLY A 27 -12.546 -2.430 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.697 -4.116 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.151 -4.856 -6.788 1.00 0.00 H new ATOM 358 N THR A 28 -12.646 -3.616 -4.574 1.00 0.00 N ATOM 359 CA THR A 28 -12.651 -2.903 -3.277 1.00 0.00 C ATOM 360 C THR A 28 -11.474 -3.243 -2.362 1.00 0.00 C ATOM 361 O THR A 28 -11.291 -4.388 -1.951 1.00 0.00 O ATOM 362 CB THR A 28 -13.952 -3.098 -2.506 1.00 0.00 C ATOM 363 OG1 THR A 28 -14.357 -4.476 -2.516 1.00 0.00 O ATOM 364 CG2 THR A 28 -15.035 -2.176 -3.053 1.00 0.00 C ATOM 0 H THR A 28 -12.764 -4.626 -4.488 1.00 0.00 H new ATOM 0 HA THR A 28 -12.550 -1.856 -3.564 1.00 0.00 H new ATOM 0 HB THR A 28 -13.785 -2.827 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.193 -4.575 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.958 -2.326 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.715 -1.139 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.208 -2.402 -4.105 1.00 0.00 H new ATOM 372 N GLN A 29 -10.861 -2.157 -1.907 1.00 0.00 N ATOM 373 CA GLN A 29 -9.631 -2.174 -1.087 1.00 0.00 C ATOM 374 C GLN A 29 -9.839 -1.559 0.307 1.00 0.00 C ATOM 375 O GLN A 29 -9.919 -2.303 1.286 1.00 0.00 O ATOM 376 CB GLN A 29 -8.477 -1.469 -1.817 1.00 0.00 C ATOM 377 CG GLN A 29 -7.942 -2.197 -3.060 1.00 0.00 C ATOM 378 CD GLN A 29 -8.931 -2.283 -4.220 1.00 0.00 C ATOM 379 OE1 GLN A 29 -9.450 -3.333 -4.562 1.00 0.00 O ATOM 380 NE2 GLN A 29 -9.204 -1.178 -4.877 1.00 0.00 N ATOM 0 H GLN A 29 -11.203 -1.215 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.370 -3.222 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.811 -0.475 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.655 -1.332 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.042 -1.688 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.648 -3.207 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.773 -0.297 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.847 -1.201 -5.669 1.00 0.00 H new ATOM 389 N SER A 30 -10.025 -0.241 0.369 1.00 0.00 N ATOM 390 CA SER A 30 -10.172 0.599 1.575 1.00 0.00 C ATOM 391 C SER A 30 -10.935 0.011 2.775 1.00 0.00 C ATOM 392 O SER A 30 -12.163 0.066 2.848 1.00 0.00 O ATOM 393 CB SER A 30 -10.745 1.967 1.186 1.00 0.00 C ATOM 394 OG SER A 30 -11.802 1.811 0.224 1.00 0.00 O ATOM 0 H SER A 30 -10.082 0.317 -0.483 1.00 0.00 H new ATOM 0 HA SER A 30 -9.155 0.676 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.123 2.476 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.956 2.594 0.771 1.00 0.00 H new ATOM 0 HG SER A 30 -11.684 2.462 -0.499 1.00 0.00 H new ATOM 400 N LEU A 31 -10.129 -0.522 3.693 1.00 0.00 N ATOM 401 CA LEU A 31 -10.495 -1.150 4.992 1.00 0.00 C ATOM 402 C LEU A 31 -9.373 -1.843 5.780 1.00 0.00 C ATOM 403 O LEU A 31 -9.297 -1.587 6.985 1.00 0.00 O ATOM 404 CB LEU A 31 -11.709 -2.100 4.953 1.00 0.00 C ATOM 405 CG LEU A 31 -13.022 -1.419 5.385 1.00 0.00 C ATOM 406 CD1 LEU A 31 -14.177 -2.404 5.187 1.00 0.00 C ATOM 407 CD2 LEU A 31 -12.989 -0.989 6.858 1.00 0.00 C ATOM 0 H LEU A 31 -9.119 -0.534 3.550 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.761 -0.242 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.825 -2.491 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.517 -2.952 5.605 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.154 -0.526 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.112 -1.933 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.237 -2.688 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.005 -3.293 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.934 -0.514 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.836 -1.864 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.173 -0.283 7.013 1.00 0.00 H new ATOM 419 N PRO A 32 -8.489 -2.682 5.200 1.00 0.00 N ATOM 420 CA PRO A 32 -7.357 -3.304 5.924 1.00 0.00 C ATOM 421 C PRO A 32 -6.201 -2.324 6.216 1.00 0.00 C ATOM 422 O PRO A 32 -5.047 -2.610 5.927 1.00 0.00 O ATOM 423 CB PRO A 32 -6.956 -4.494 5.049 1.00 0.00 C ATOM 424 CG PRO A 32 -7.249 -4.005 3.640 1.00 0.00 C ATOM 425 CD PRO A 32 -8.554 -3.224 3.826 1.00 0.00 C ATOM 0 HA PRO A 32 -7.641 -3.623 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.904 -4.750 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.533 -5.386 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.449 -3.373 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.367 -4.832 2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.642 -2.424 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.422 -3.871 3.699 1.00 0.00 H new ATOM 433 N ASN A 33 -6.558 -1.195 6.833 1.00 0.00 N ATOM 434 CA ASN A 33 -5.705 -0.022 7.158 1.00 0.00 C ATOM 435 C ASN A 33 -4.280 -0.015 6.591 1.00 0.00 C ATOM 436 O ASN A 33 -3.303 -0.391 7.250 1.00 0.00 O ATOM 437 CB ASN A 33 -5.698 0.174 8.682 1.00 0.00 C ATOM 438 CG ASN A 33 -7.111 0.371 9.252 1.00 0.00 C ATOM 439 OD1 ASN A 33 -8.016 0.906 8.627 1.00 0.00 O ATOM 440 ND2 ASN A 33 -7.332 -0.154 10.443 1.00 0.00 N ATOM 0 H ASN A 33 -7.518 -1.055 7.146 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.166 0.820 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.235 -0.692 9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.084 1.039 8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.266 -0.116 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.569 -0.598 10.954 1.00 0.00 H new ATOM 447 N MET A 34 -4.189 0.459 5.356 1.00 0.00 N ATOM 448 CA MET A 34 -2.918 0.497 4.601 1.00 0.00 C ATOM 449 C MET A 34 -1.955 1.619 5.017 1.00 0.00 C ATOM 450 O MET A 34 -1.954 2.726 4.481 1.00 0.00 O ATOM 451 CB MET A 34 -3.201 0.447 3.103 1.00 0.00 C ATOM 452 CG MET A 34 -3.640 -0.942 2.634 1.00 0.00 C ATOM 453 SD MET A 34 -2.302 -2.197 2.588 1.00 0.00 S ATOM 454 CE MET A 34 -2.435 -2.927 4.206 1.00 0.00 C ATOM 0 H MET A 34 -4.986 0.830 4.839 1.00 0.00 H new ATOM 0 HA MET A 34 -2.360 -0.400 4.869 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.978 1.171 2.859 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.305 0.745 2.557 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.432 -1.299 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.071 -0.854 1.637 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.451 -3.259 4.537 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.824 -2.189 4.907 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.111 -3.781 4.165 1.00 0.00 H new ATOM 464 N ILE A 35 -1.190 1.284 6.044 1.00 0.00 N ATOM 465 CA ILE A 35 -0.092 2.114 6.603 1.00 0.00 C ATOM 466 C ILE A 35 1.249 1.365 6.459 1.00 0.00 C ATOM 467 O ILE A 35 1.289 0.140 6.457 1.00 0.00 O ATOM 468 CB ILE A 35 -0.458 2.515 8.053 1.00 0.00 C ATOM 469 CG1 ILE A 35 0.525 3.572 8.589 1.00 0.00 C ATOM 470 CG2 ILE A 35 -0.562 1.297 8.996 1.00 0.00 C ATOM 471 CD1 ILE A 35 -0.010 4.382 9.774 1.00 0.00 C ATOM 0 H ILE A 35 -1.306 0.400 6.540 1.00 0.00 H new ATOM 0 HA ILE A 35 0.034 3.045 6.050 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.453 2.960 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.447 3.075 8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.781 4.257 7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.821 1.635 10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.334 0.619 8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.395 0.776 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.743 5.104 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.915 4.910 9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.239 3.710 10.601 1.00 0.00 H new ATOM 483 N ILE A 36 2.336 2.125 6.357 1.00 0.00 N ATOM 484 CA ILE A 36 3.661 1.539 6.075 1.00 0.00 C ATOM 485 C ILE A 36 4.658 1.707 7.241 1.00 0.00 C ATOM 486 O ILE A 36 4.708 2.762 7.882 1.00 0.00 O ATOM 487 CB ILE A 36 4.163 2.053 4.698 1.00 0.00 C ATOM 488 CG1 ILE A 36 5.254 1.120 4.162 1.00 0.00 C ATOM 489 CG2 ILE A 36 4.584 3.525 4.733 1.00 0.00 C ATOM 490 CD1 ILE A 36 5.472 1.209 2.643 1.00 0.00 C ATOM 0 H ILE A 36 2.336 3.139 6.463 1.00 0.00 H new ATOM 0 HA ILE A 36 3.568 0.456 5.997 1.00 0.00 H new ATOM 0 HB ILE A 36 3.330 2.026 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.193 1.350 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.997 0.093 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.926 3.829 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.734 4.140 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.393 3.655 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.260 0.517 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.548 0.948 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.762 2.225 2.376 1.00 0.00 H new ATOM 502 N LEU A 37 5.442 0.661 7.470 1.00 0.00 N ATOM 503 CA LEU A 37 6.361 0.562 8.623 1.00 0.00 C ATOM 504 C LEU A 37 7.723 1.216 8.374 1.00 0.00 C ATOM 505 O LEU A 37 8.493 0.785 7.508 1.00 0.00 O ATOM 506 CB LEU A 37 6.546 -0.907 9.056 1.00 0.00 C ATOM 507 CG LEU A 37 5.297 -1.555 9.676 1.00 0.00 C ATOM 508 CD1 LEU A 37 4.322 -2.078 8.613 1.00 0.00 C ATOM 509 CD2 LEU A 37 5.726 -2.687 10.613 1.00 0.00 C ATOM 0 H LEU A 37 5.466 -0.157 6.861 1.00 0.00 H new ATOM 0 HA LEU A 37 5.888 1.121 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.850 -1.492 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.362 -0.959 9.777 1.00 0.00 H new ATOM 0 HG LEU A 37 4.765 -0.788 10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.457 -2.526 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.995 -1.252 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.821 -2.828 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.843 -3.149 11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.283 -3.435 10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.359 -2.284 11.404 1.00 0.00 H new ATOM 521 N ASN A 38 7.967 2.283 9.129 1.00 0.00 N ATOM 522 CA ASN A 38 9.170 3.134 9.061 1.00 0.00 C ATOM 523 C ASN A 38 10.445 2.515 9.686 1.00 0.00 C ATOM 524 O ASN A 38 10.816 2.808 10.821 1.00 0.00 O ATOM 525 CB ASN A 38 8.878 4.538 9.604 1.00 0.00 C ATOM 526 CG ASN A 38 8.323 4.573 11.030 1.00 0.00 C ATOM 527 OD1 ASN A 38 7.343 3.922 11.377 1.00 0.00 O ATOM 528 ND2 ASN A 38 8.902 5.391 11.872 1.00 0.00 N ATOM 0 H ASN A 38 7.307 2.600 9.840 1.00 0.00 H new ATOM 0 HA ASN A 38 9.411 3.214 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.797 5.123 9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.166 5.028 8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.538 5.489 12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.717 5.931 11.580 1.00 0.00 H new ATOM 535 N ILE A 39 11.224 1.888 8.819 1.00 0.00 N ATOM 536 CA ILE A 39 12.469 1.200 9.193 1.00 0.00 C ATOM 537 C ILE A 39 13.734 2.006 8.794 1.00 0.00 C ATOM 538 O ILE A 39 14.637 1.536 8.114 1.00 0.00 O ATOM 539 CB ILE A 39 12.408 -0.270 8.694 1.00 0.00 C ATOM 540 CG1 ILE A 39 13.551 -1.142 9.221 1.00 0.00 C ATOM 541 CG2 ILE A 39 12.274 -0.407 7.167 1.00 0.00 C ATOM 542 CD1 ILE A 39 13.461 -1.395 10.733 1.00 0.00 C ATOM 0 H ILE A 39 11.015 1.837 7.822 1.00 0.00 H new ATOM 0 HA ILE A 39 12.561 1.147 10.278 1.00 0.00 H new ATOM 0 HB ILE A 39 11.483 -0.651 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.544 -2.098 8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 39 14.503 -0.661 8.994 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.238 -1.463 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.358 0.083 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 39 13.131 0.062 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.298 -2.019 11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.497 -0.444 11.264 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.524 -1.902 10.962 1.00 0.00 H new ATOM 554 N GLY A 40 13.765 3.237 9.314 1.00 0.00 N ATOM 555 CA GLY A 40 14.859 4.209 9.141 1.00 0.00 C ATOM 556 C GLY A 40 15.095 4.676 7.686 1.00 0.00 C ATOM 557 O GLY A 40 15.873 4.081 6.946 1.00 0.00 O ATOM 0 H GLY A 40 13.004 3.601 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.649 5.083 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.781 3.767 9.519 1.00 0.00 H new ATOM 561 N ASN A 41 14.455 5.795 7.344 1.00 0.00 N ATOM 562 CA ASN A 41 14.484 6.421 5.986 1.00 0.00 C ATOM 563 C ASN A 41 14.152 5.479 4.809 1.00 0.00 C ATOM 564 O ASN A 41 14.480 5.727 3.650 1.00 0.00 O ATOM 565 CB ASN A 41 15.817 7.156 5.768 1.00 0.00 C ATOM 566 CG ASN A 41 15.947 8.364 6.713 1.00 0.00 C ATOM 567 OD1 ASN A 41 16.245 8.244 7.885 1.00 0.00 O ATOM 568 ND2 ASN A 41 15.585 9.533 6.235 1.00 0.00 N ATOM 0 H ASN A 41 13.883 6.318 8.007 1.00 0.00 H new ATOM 0 HA ASN A 41 13.662 7.137 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.646 6.469 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.886 7.491 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.553 10.347 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.336 9.626 5.250 1.00 0.00 H new ATOM 575 N THR A 42 13.351 4.473 5.143 1.00 0.00 N ATOM 576 CA THR A 42 12.828 3.423 4.253 1.00 0.00 C ATOM 577 C THR A 42 11.667 2.716 4.961 1.00 0.00 C ATOM 578 O THR A 42 11.598 2.709 6.191 1.00 0.00 O ATOM 579 CB THR A 42 13.920 2.416 3.825 1.00 0.00 C ATOM 580 OG1 THR A 42 13.331 1.450 2.948 1.00 0.00 O ATOM 581 CG2 THR A 42 14.664 1.714 4.961 1.00 0.00 C ATOM 0 H THR A 42 13.024 4.355 6.102 1.00 0.00 H new ATOM 0 HA THR A 42 12.474 3.889 3.333 1.00 0.00 H new ATOM 0 HB THR A 42 14.691 3.005 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.013 0.805 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.405 1.032 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.164 2.457 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.954 1.152 5.568 1.00 0.00 H new ATOM 589 N THR A 43 10.676 2.343 4.167 1.00 0.00 N ATOM 590 CA THR A 43 9.433 1.737 4.676 1.00 0.00 C ATOM 591 C THR A 43 9.059 0.384 4.057 1.00 0.00 C ATOM 592 O THR A 43 9.187 0.201 2.843 1.00 0.00 O ATOM 593 CB THR A 43 8.250 2.705 4.557 1.00 0.00 C ATOM 594 OG1 THR A 43 8.194 3.301 3.252 1.00 0.00 O ATOM 595 CG2 THR A 43 8.265 3.744 5.681 1.00 0.00 C ATOM 0 H THR A 43 10.700 2.447 3.153 1.00 0.00 H new ATOM 0 HA THR A 43 9.651 1.533 5.724 1.00 0.00 H new ATOM 0 HB THR A 43 7.330 2.132 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.372 4.262 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.413 4.415 5.568 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.203 3.238 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.189 4.320 5.632 1.00 0.00 H new ATOM 603 N ILE A 44 8.530 -0.493 4.900 1.00 0.00 N ATOM 604 CA ILE A 44 8.118 -1.862 4.515 1.00 0.00 C ATOM 605 C ILE A 44 6.605 -2.113 4.721 1.00 0.00 C ATOM 606 O ILE A 44 5.998 -1.618 5.676 1.00 0.00 O ATOM 607 CB ILE A 44 9.001 -2.912 5.227 1.00 0.00 C ATOM 608 CG1 ILE A 44 8.699 -4.338 4.718 1.00 0.00 C ATOM 609 CG2 ILE A 44 8.913 -2.813 6.764 1.00 0.00 C ATOM 610 CD1 ILE A 44 9.770 -5.388 5.050 1.00 0.00 C ATOM 0 H ILE A 44 8.368 -0.284 5.885 1.00 0.00 H new ATOM 0 HA ILE A 44 8.279 -1.966 3.442 1.00 0.00 H new ATOM 0 HB ILE A 44 10.035 -2.686 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.749 -4.664 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.571 -4.302 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.552 -3.572 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.243 -1.825 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.882 -2.972 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.467 -6.356 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.720 -5.093 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.885 -5.461 6.131 1.00 0.00 H new ATOM 622 N ILE A 45 6.025 -2.811 3.742 1.00 0.00 N ATOM 623 CA ILE A 45 4.621 -3.265 3.748 1.00 0.00 C ATOM 624 C ILE A 45 4.438 -4.582 2.959 1.00 0.00 C ATOM 625 O ILE A 45 5.129 -4.839 1.963 1.00 0.00 O ATOM 626 CB ILE A 45 3.724 -2.090 3.278 1.00 0.00 C ATOM 627 CG1 ILE A 45 2.405 -1.986 4.049 1.00 0.00 C ATOM 628 CG2 ILE A 45 3.578 -1.959 1.758 1.00 0.00 C ATOM 629 CD1 ILE A 45 1.359 -3.089 3.852 1.00 0.00 C ATOM 0 H ILE A 45 6.527 -3.086 2.898 1.00 0.00 H new ATOM 0 HA ILE A 45 4.306 -3.529 4.758 1.00 0.00 H new ATOM 0 HB ILE A 45 4.284 -1.196 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.644 -1.940 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.940 -1.036 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.934 -1.111 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.559 -1.802 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.137 -2.871 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.483 -2.873 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.067 -3.130 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.782 -4.049 4.149 1.00 0.00 H new ATOM 641 N ARG A 46 3.538 -5.421 3.471 1.00 0.00 N ATOM 642 CA ARG A 46 3.141 -6.698 2.854 1.00 0.00 C ATOM 643 C ARG A 46 1.977 -6.613 1.836 1.00 0.00 C ATOM 644 O ARG A 46 2.180 -6.894 0.655 1.00 0.00 O ATOM 645 CB ARG A 46 2.912 -7.773 3.933 1.00 0.00 C ATOM 646 CG ARG A 46 1.897 -7.344 5.004 1.00 0.00 C ATOM 647 CD ARG A 46 1.616 -8.453 6.019 1.00 0.00 C ATOM 648 NE ARG A 46 0.436 -8.046 6.817 1.00 0.00 N ATOM 649 CZ ARG A 46 0.395 -7.173 7.819 1.00 0.00 C ATOM 650 NH1 ARG A 46 1.477 -6.597 8.321 1.00 0.00 N ATOM 651 NH2 ARG A 46 -0.775 -6.898 8.396 1.00 0.00 N ATOM 0 H ARG A 46 3.050 -5.232 4.347 1.00 0.00 H new ATOM 0 HA ARG A 46 3.986 -6.998 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.563 -8.689 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.862 -8.005 4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.274 -6.464 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.964 -7.053 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.426 -9.398 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.480 -8.607 6.665 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.449 -8.488 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.396 -6.817 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.391 -5.933 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.626 -7.356 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.820 -6.230 9.166 1.00 0.00 H new ATOM 665 N ASN A 47 0.783 -6.223 2.284 1.00 0.00 N ATOM 666 CA ASN A 47 -0.441 -6.065 1.458 1.00 0.00 C ATOM 667 C ASN A 47 -0.447 -4.855 0.497 1.00 0.00 C ATOM 668 O ASN A 47 -1.492 -4.265 0.198 1.00 0.00 O ATOM 669 CB ASN A 47 -1.648 -6.031 2.396 1.00 0.00 C ATOM 670 CG ASN A 47 -1.884 -7.371 3.112 1.00 0.00 C ATOM 671 OD1 ASN A 47 -1.197 -7.751 4.042 1.00 0.00 O ATOM 672 ND2 ASN A 47 -2.892 -8.100 2.674 1.00 0.00 N ATOM 0 H ASN A 47 0.623 -5.997 3.266 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.479 -6.922 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.502 -5.248 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -2.539 -5.767 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.104 -8.995 3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.459 -7.769 1.894 1.00 0.00 H new ATOM 679 N PHE A 48 0.682 -4.660 -0.179 1.00 0.00 N ATOM 680 CA PHE A 48 0.977 -3.471 -1.011 1.00 0.00 C ATOM 681 C PHE A 48 0.008 -3.148 -2.155 1.00 0.00 C ATOM 682 O PHE A 48 -0.296 -1.971 -2.355 1.00 0.00 O ATOM 683 CB PHE A 48 2.411 -3.522 -1.554 1.00 0.00 C ATOM 684 CG PHE A 48 2.745 -4.775 -2.378 1.00 0.00 C ATOM 685 CD1 PHE A 48 2.391 -4.844 -3.740 1.00 0.00 C ATOM 686 CD2 PHE A 48 3.388 -5.849 -1.766 1.00 0.00 C ATOM 687 CE1 PHE A 48 2.664 -6.010 -4.468 1.00 0.00 C ATOM 688 CE2 PHE A 48 3.661 -7.015 -2.493 1.00 0.00 C ATOM 689 CZ PHE A 48 3.293 -7.100 -3.844 1.00 0.00 C ATOM 0 H PHE A 48 1.445 -5.337 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 48 0.841 -2.651 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.581 -2.641 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.104 -3.461 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.912 -4.003 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.677 -5.782 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.390 -6.071 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.154 -7.848 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.493 -8.002 -4.403 1.00 0.00 H new ATOM 699 N ALA A 49 -0.532 -4.160 -2.838 1.00 0.00 N ATOM 700 CA ALA A 49 -1.501 -3.953 -3.939 1.00 0.00 C ATOM 701 C ALA A 49 -2.735 -3.120 -3.512 1.00 0.00 C ATOM 702 O ALA A 49 -3.027 -2.083 -4.107 1.00 0.00 O ATOM 703 CB ALA A 49 -1.945 -5.322 -4.474 1.00 0.00 C ATOM 0 H ALA A 49 -0.319 -5.140 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.999 -3.379 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.659 -5.181 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.077 -5.867 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.415 -5.891 -3.672 1.00 0.00 H new ATOM 709 N GLU A 50 -3.249 -3.440 -2.331 1.00 0.00 N ATOM 710 CA GLU A 50 -4.363 -2.710 -1.687 1.00 0.00 C ATOM 711 C GLU A 50 -3.984 -1.251 -1.399 1.00 0.00 C ATOM 712 O GLU A 50 -4.664 -0.341 -1.861 1.00 0.00 O ATOM 713 CB GLU A 50 -4.819 -3.385 -0.375 1.00 0.00 C ATOM 714 CG GLU A 50 -5.375 -4.793 -0.570 1.00 0.00 C ATOM 715 CD GLU A 50 -4.329 -5.889 -0.348 1.00 0.00 C ATOM 716 OE1 GLU A 50 -3.427 -6.030 -1.206 1.00 0.00 O ATOM 717 OE2 GLU A 50 -4.417 -6.545 0.716 1.00 0.00 O ATOM 0 H GLU A 50 -2.907 -4.224 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.192 -2.734 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.975 -3.429 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.582 -2.765 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.206 -4.947 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.777 -4.882 -1.579 1.00 0.00 H new ATOM 724 N TYR A 51 -2.765 -1.070 -0.878 1.00 0.00 N ATOM 725 CA TYR A 51 -2.168 0.248 -0.575 1.00 0.00 C ATOM 726 C TYR A 51 -1.989 1.104 -1.837 1.00 0.00 C ATOM 727 O TYR A 51 -2.411 2.267 -1.859 1.00 0.00 O ATOM 728 CB TYR A 51 -0.806 0.022 0.082 1.00 0.00 C ATOM 729 CG TYR A 51 -0.382 1.068 1.111 1.00 0.00 C ATOM 730 CD1 TYR A 51 -0.878 2.382 1.129 1.00 0.00 C ATOM 731 CD2 TYR A 51 0.604 0.696 2.040 1.00 0.00 C ATOM 732 CE1 TYR A 51 -0.373 3.316 2.049 1.00 0.00 C ATOM 733 CE2 TYR A 51 1.112 1.627 2.940 1.00 0.00 C ATOM 734 CZ TYR A 51 0.653 2.951 2.932 1.00 0.00 C ATOM 735 OH TYR A 51 1.372 3.918 3.563 1.00 0.00 O ATOM 0 H TYR A 51 -2.148 -1.849 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.842 0.786 0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.815 -0.954 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.048 -0.018 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.650 2.675 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.970 -0.320 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.776 4.318 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.867 1.327 3.651 1.00 0.00 H new ATOM 0 HH TYR A 51 1.553 3.642 4.486 1.00 0.00 H new ATOM 745 N CYS A 52 -1.459 0.492 -2.886 1.00 0.00 N ATOM 746 CA CYS A 52 -1.282 1.111 -4.216 1.00 0.00 C ATOM 747 C CYS A 52 -2.609 1.634 -4.790 1.00 0.00 C ATOM 748 O CYS A 52 -2.735 2.827 -5.045 1.00 0.00 O ATOM 749 CB CYS A 52 -0.637 0.118 -5.180 1.00 0.00 C ATOM 750 SG CYS A 52 1.063 -0.373 -4.712 1.00 0.00 S ATOM 0 H CYS A 52 -1.128 -0.472 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.622 1.970 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.260 -0.775 -5.237 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.616 0.556 -6.178 1.00 0.00 H new ATOM 0 HG CYS A 52 1.020 -1.134 -3.659 1.00 0.00 H new ATOM 756 N ASP A 53 -3.640 0.793 -4.756 1.00 0.00 N ATOM 757 CA ASP A 53 -5.007 1.212 -5.130 1.00 0.00 C ATOM 758 C ASP A 53 -5.625 2.286 -4.208 1.00 0.00 C ATOM 759 O ASP A 53 -6.405 3.116 -4.683 1.00 0.00 O ATOM 760 CB ASP A 53 -5.938 0.005 -5.235 1.00 0.00 C ATOM 761 CG ASP A 53 -5.692 -0.800 -6.513 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.793 -1.678 -6.462 1.00 0.00 O ATOM 763 OD2 ASP A 53 -6.450 -0.569 -7.478 1.00 0.00 O ATOM 0 H ASP A 53 -3.564 -0.185 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.901 1.685 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.795 -0.639 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.974 0.343 -5.214 1.00 0.00 H new ATOM 768 N ARG A 54 -5.327 2.208 -2.910 1.00 0.00 N ATOM 769 CA ARG A 54 -5.749 3.200 -1.885 1.00 0.00 C ATOM 770 C ARG A 54 -5.113 4.597 -1.994 1.00 0.00 C ATOM 771 O ARG A 54 -5.703 5.569 -1.533 1.00 0.00 O ATOM 772 CB ARG A 54 -5.599 2.608 -0.482 1.00 0.00 C ATOM 773 CG ARG A 54 -6.706 1.582 -0.219 1.00 0.00 C ATOM 774 CD ARG A 54 -6.524 0.757 1.050 1.00 0.00 C ATOM 775 NE ARG A 54 -6.731 1.548 2.276 1.00 0.00 N ATOM 776 CZ ARG A 54 -6.885 1.075 3.520 1.00 0.00 C ATOM 777 NH1 ARG A 54 -6.837 -0.226 3.802 1.00 0.00 N ATOM 778 NH2 ARG A 54 -7.044 1.914 4.527 1.00 0.00 N ATOM 0 H ARG A 54 -4.775 1.443 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.801 3.393 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.623 2.134 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.645 3.403 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.661 2.105 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.764 0.905 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.224 -0.079 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.520 0.332 1.062 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.760 2.562 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.678 -0.904 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.959 -0.544 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.049 2.920 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.161 1.556 5.475 1.00 0.00 H new ATOM 792 N ILE A 55 -3.859 4.658 -2.447 1.00 0.00 N ATOM 793 CA ILE A 55 -3.266 5.937 -2.922 1.00 0.00 C ATOM 794 C ILE A 55 -3.843 6.317 -4.308 1.00 0.00 C ATOM 795 O ILE A 55 -4.241 7.466 -4.509 1.00 0.00 O ATOM 796 CB ILE A 55 -1.720 5.999 -2.827 1.00 0.00 C ATOM 797 CG1 ILE A 55 -1.188 7.355 -3.319 1.00 0.00 C ATOM 798 CG2 ILE A 55 -1.032 4.828 -3.532 1.00 0.00 C ATOM 799 CD1 ILE A 55 0.265 7.678 -2.970 1.00 0.00 C ATOM 0 H ILE A 55 -3.231 3.856 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.573 6.716 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.467 5.903 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.296 7.392 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.822 8.141 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.049 4.927 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.355 3.890 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.300 4.832 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.526 8.658 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.386 7.683 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.920 6.923 -3.405 1.00 0.00 H new ATOM 811 N ARG A 56 -3.888 5.357 -5.235 1.00 0.00 N ATOM 812 CA ARG A 56 -4.543 5.514 -6.550 1.00 0.00 C ATOM 813 C ARG A 56 -4.596 4.191 -7.325 1.00 0.00 C ATOM 814 O ARG A 56 -3.583 3.531 -7.524 1.00 0.00 O ATOM 815 CB ARG A 56 -3.799 6.529 -7.423 1.00 0.00 C ATOM 816 CG ARG A 56 -4.735 7.243 -8.410 1.00 0.00 C ATOM 817 CD ARG A 56 -5.394 8.507 -7.852 1.00 0.00 C ATOM 818 NE ARG A 56 -6.138 8.273 -6.604 1.00 0.00 N ATOM 819 CZ ARG A 56 -7.459 8.328 -6.424 1.00 0.00 C ATOM 820 NH1 ARG A 56 -8.312 8.464 -7.428 1.00 0.00 N ATOM 821 NH2 ARG A 56 -7.957 8.124 -5.210 1.00 0.00 N ATOM 0 H ARG A 56 -3.469 4.437 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.555 5.860 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.315 7.268 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.010 6.020 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.169 7.507 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.515 6.548 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.626 9.260 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.073 8.915 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.580 8.042 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.966 8.531 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.315 8.501 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.332 7.928 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.965 8.163 -5.059 1.00 0.00 H new ATOM 835 N ARG A 57 -5.772 3.923 -7.904 1.00 0.00 N ATOM 836 CA ARG A 57 -5.936 2.877 -8.949 1.00 0.00 C ATOM 837 C ARG A 57 -4.915 3.029 -10.091 1.00 0.00 C ATOM 838 O ARG A 57 -4.422 2.046 -10.639 1.00 0.00 O ATOM 839 CB ARG A 57 -7.353 2.918 -9.537 1.00 0.00 C ATOM 840 CG ARG A 57 -8.367 2.001 -8.855 1.00 0.00 C ATOM 841 CD ARG A 57 -8.835 2.466 -7.477 1.00 0.00 C ATOM 842 NE ARG A 57 -10.008 1.669 -7.063 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.258 1.768 -7.530 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.622 2.709 -8.388 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.204 0.944 -7.092 1.00 0.00 N ATOM 0 H ARG A 57 -6.636 4.413 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.763 1.918 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.721 3.943 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.299 2.652 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.238 1.902 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.928 1.008 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.030 2.354 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.093 3.525 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.847 0.966 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.939 3.392 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.585 2.751 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.979 0.232 -6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.156 1.023 -7.451 1.00 0.00 H new ATOM 859 N GLU A 58 -4.599 4.280 -10.424 1.00 0.00 N ATOM 860 CA GLU A 58 -3.532 4.654 -11.363 1.00 0.00 C ATOM 861 C GLU A 58 -2.146 4.421 -10.722 1.00 0.00 C ATOM 862 O GLU A 58 -1.437 5.351 -10.323 1.00 0.00 O ATOM 863 CB GLU A 58 -3.697 6.121 -11.792 1.00 0.00 C ATOM 864 CG GLU A 58 -4.959 6.385 -12.625 1.00 0.00 C ATOM 865 CD GLU A 58 -4.832 5.992 -14.108 1.00 0.00 C ATOM 866 OE1 GLU A 58 -3.719 6.158 -14.668 1.00 0.00 O ATOM 867 OE2 GLU A 58 -5.851 5.533 -14.653 1.00 0.00 O ATOM 0 H GLU A 58 -5.090 5.087 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.605 4.025 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.723 6.749 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.823 6.422 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.792 5.836 -12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.207 7.445 -12.562 1.00 0.00 H new ATOM 874 N ASP A 59 -1.744 3.147 -10.713 1.00 0.00 N ATOM 875 CA ASP A 59 -0.410 2.721 -10.229 1.00 0.00 C ATOM 876 C ASP A 59 0.778 3.470 -10.848 1.00 0.00 C ATOM 877 O ASP A 59 1.778 3.697 -10.178 1.00 0.00 O ATOM 878 CB ASP A 59 -0.245 1.203 -10.400 1.00 0.00 C ATOM 879 CG ASP A 59 -1.058 0.419 -9.367 1.00 0.00 C ATOM 880 OD1 ASP A 59 -2.258 0.229 -9.624 1.00 0.00 O ATOM 881 OD2 ASP A 59 -0.430 -0.003 -8.367 1.00 0.00 O ATOM 0 H ASP A 59 -2.327 2.376 -11.039 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.386 2.988 -9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.559 0.915 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.809 0.940 -10.308 1.00 0.00 H new ATOM 886 N LYS A 60 0.603 3.940 -12.087 1.00 0.00 N ATOM 887 CA LYS A 60 1.575 4.786 -12.804 1.00 0.00 C ATOM 888 C LYS A 60 1.929 6.067 -12.020 1.00 0.00 C ATOM 889 O LYS A 60 3.096 6.274 -11.689 1.00 0.00 O ATOM 890 CB LYS A 60 0.972 5.142 -14.170 1.00 0.00 C ATOM 891 CG LYS A 60 1.998 5.662 -15.186 1.00 0.00 C ATOM 892 CD LYS A 60 2.902 4.543 -15.708 1.00 0.00 C ATOM 893 CE LYS A 60 3.856 5.055 -16.777 1.00 0.00 C ATOM 894 NZ LYS A 60 4.631 3.953 -17.366 1.00 0.00 N ATOM 0 H LYS A 60 -0.234 3.741 -12.635 1.00 0.00 H new ATOM 0 HA LYS A 60 2.507 4.233 -12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.483 4.259 -14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.199 5.898 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.477 6.128 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.609 6.435 -14.721 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.472 4.119 -14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.290 3.740 -16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.292 5.565 -17.558 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.534 5.789 -16.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.274 4.330 -18.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.186 3.483 -16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.982 3.266 -17.801 1.00 0.00 H new ATOM 908 N ILE A 61 0.912 6.818 -11.591 1.00 0.00 N ATOM 909 CA ILE A 61 1.106 8.050 -10.805 1.00 0.00 C ATOM 910 C ILE A 61 1.644 7.776 -9.374 1.00 0.00 C ATOM 911 O ILE A 61 2.501 8.514 -8.891 1.00 0.00 O ATOM 912 CB ILE A 61 -0.144 8.965 -10.873 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.265 10.409 -10.534 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.297 8.473 -9.977 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.745 11.465 -11.012 1.00 0.00 C ATOM 0 H ILE A 61 -0.066 6.595 -11.775 1.00 0.00 H new ATOM 0 HA ILE A 61 1.908 8.622 -11.272 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.533 8.930 -11.890 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.388 10.499 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.236 10.618 -10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.144 9.154 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.600 7.474 -10.290 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.964 8.443 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.390 12.458 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.851 11.403 -12.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.712 11.283 -10.542 1.00 0.00 H new ATOM 927 N CYS A 62 1.233 6.641 -8.801 1.00 0.00 N ATOM 928 CA CYS A 62 1.797 6.109 -7.543 1.00 0.00 C ATOM 929 C CYS A 62 3.320 5.884 -7.644 1.00 0.00 C ATOM 930 O CYS A 62 4.086 6.467 -6.889 1.00 0.00 O ATOM 931 CB CYS A 62 1.061 4.810 -7.182 1.00 0.00 C ATOM 932 SG CYS A 62 1.701 3.945 -5.711 1.00 0.00 S ATOM 0 H CYS A 62 0.495 6.057 -9.194 1.00 0.00 H new ATOM 0 HA CYS A 62 1.650 6.843 -6.751 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.008 5.040 -7.020 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.112 4.132 -8.034 1.00 0.00 H new ATOM 0 HG CYS A 62 1.003 2.868 -5.503 1.00 0.00 H new ATOM 938 N MET A 63 3.731 5.184 -8.707 1.00 0.00 N ATOM 939 CA MET A 63 5.149 4.952 -9.063 1.00 0.00 C ATOM 940 C MET A 63 5.906 6.278 -9.302 1.00 0.00 C ATOM 941 O MET A 63 7.016 6.461 -8.801 1.00 0.00 O ATOM 942 CB MET A 63 5.189 4.067 -10.321 1.00 0.00 C ATOM 943 CG MET A 63 6.597 3.607 -10.696 1.00 0.00 C ATOM 944 SD MET A 63 6.631 2.633 -12.238 1.00 0.00 S ATOM 945 CE MET A 63 8.380 2.339 -12.378 1.00 0.00 C ATOM 0 H MET A 63 3.080 4.751 -9.362 1.00 0.00 H new ATOM 0 HA MET A 63 5.650 4.454 -8.233 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.560 3.192 -10.160 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.760 4.618 -11.158 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.242 4.479 -10.807 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.008 3.008 -9.883 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.580 1.752 -13.274 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.905 3.292 -12.444 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.728 1.793 -11.501 1.00 0.00 H new ATOM 955 N LYS A 64 5.255 7.203 -10.011 1.00 0.00 N ATOM 956 CA LYS A 64 5.765 8.580 -10.221 1.00 0.00 C ATOM 957 C LYS A 64 6.048 9.326 -8.910 1.00 0.00 C ATOM 958 O LYS A 64 7.197 9.685 -8.664 1.00 0.00 O ATOM 959 CB LYS A 64 4.795 9.368 -11.104 1.00 0.00 C ATOM 960 CG LYS A 64 5.324 9.584 -12.521 1.00 0.00 C ATOM 961 CD LYS A 64 5.555 8.289 -13.314 1.00 0.00 C ATOM 962 CE LYS A 64 6.166 8.606 -14.674 1.00 0.00 C ATOM 963 NZ LYS A 64 6.542 7.375 -15.391 1.00 0.00 N ATOM 0 H LYS A 64 4.356 7.028 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 64 6.726 8.492 -10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.844 8.838 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.597 10.336 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.619 10.210 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.263 10.135 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.216 7.625 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.610 7.761 -13.446 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.454 9.175 -15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.046 9.236 -14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.569 7.368 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.275 6.546 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.047 7.341 -16.305 1.00 0.00 H new ATOM 977 N TYR A 65 5.065 9.362 -8.015 1.00 0.00 N ATOM 978 CA TYR A 65 5.192 9.963 -6.663 1.00 0.00 C ATOM 979 C TYR A 65 6.298 9.312 -5.824 1.00 0.00 C ATOM 980 O TYR A 65 7.167 9.998 -5.277 1.00 0.00 O ATOM 981 CB TYR A 65 3.846 9.872 -5.920 1.00 0.00 C ATOM 982 CG TYR A 65 2.795 10.920 -6.300 1.00 0.00 C ATOM 983 CD1 TYR A 65 2.637 11.416 -7.614 1.00 0.00 C ATOM 984 CD2 TYR A 65 1.908 11.360 -5.301 1.00 0.00 C ATOM 985 CE1 TYR A 65 1.628 12.340 -7.910 1.00 0.00 C ATOM 986 CE2 TYR A 65 0.887 12.275 -5.598 1.00 0.00 C ATOM 987 CZ TYR A 65 0.748 12.759 -6.906 1.00 0.00 C ATOM 988 OH TYR A 65 -0.282 13.594 -7.199 1.00 0.00 O ATOM 0 H TYR A 65 4.140 8.973 -8.197 1.00 0.00 H new ATOM 0 HA TYR A 65 5.472 11.007 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.423 8.883 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.039 9.951 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.301 11.079 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.014 10.989 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.529 12.729 -8.913 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.211 12.605 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.793 13.781 -6.384 1.00 0.00 H new ATOM 998 N LEU A 66 6.338 7.975 -5.886 1.00 0.00 N ATOM 999 CA LEU A 66 7.376 7.120 -5.278 1.00 0.00 C ATOM 1000 C LEU A 66 8.783 7.584 -5.710 1.00 0.00 C ATOM 1001 O LEU A 66 9.490 8.192 -4.908 1.00 0.00 O ATOM 1002 CB LEU A 66 7.043 5.685 -5.688 1.00 0.00 C ATOM 1003 CG LEU A 66 7.843 4.558 -5.016 1.00 0.00 C ATOM 1004 CD1 LEU A 66 7.016 3.274 -5.067 1.00 0.00 C ATOM 1005 CD2 LEU A 66 9.170 4.294 -5.755 1.00 0.00 C ATOM 0 H LEU A 66 5.625 7.436 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 66 7.387 7.186 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.985 5.514 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.182 5.601 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 66 8.060 4.858 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.571 2.464 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.075 3.426 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.811 3.014 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.712 3.491 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.962 4.004 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.776 5.200 -5.749 1.00 0.00 H new ATOM 1017 N LEU A 67 9.019 7.563 -7.019 1.00 0.00 N ATOM 1018 CA LEU A 67 10.293 7.984 -7.631 1.00 0.00 C ATOM 1019 C LEU A 67 10.636 9.454 -7.309 1.00 0.00 C ATOM 1020 O LEU A 67 11.656 9.714 -6.673 1.00 0.00 O ATOM 1021 CB LEU A 67 10.195 7.720 -9.148 1.00 0.00 C ATOM 1022 CG LEU A 67 11.492 7.680 -9.976 1.00 0.00 C ATOM 1023 CD1 LEU A 67 12.140 9.064 -10.153 1.00 0.00 C ATOM 1024 CD2 LEU A 67 12.493 6.668 -9.427 1.00 0.00 C ATOM 0 H LEU A 67 8.327 7.250 -7.700 1.00 0.00 H new ATOM 0 HA LEU A 67 11.116 7.405 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.685 6.766 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.553 8.489 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 67 11.194 7.347 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.050 8.967 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.444 9.729 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.386 9.478 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.392 6.675 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.753 6.933 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.050 5.672 -9.443 1.00 0.00 H new ATOM 1036 N LYS A 68 9.671 10.342 -7.539 1.00 0.00 N ATOM 1037 CA LYS A 68 9.829 11.802 -7.372 1.00 0.00 C ATOM 1038 C LYS A 68 10.220 12.234 -5.950 1.00 0.00 C ATOM 1039 O LYS A 68 11.050 13.119 -5.770 1.00 0.00 O ATOM 1040 CB LYS A 68 8.523 12.467 -7.815 1.00 0.00 C ATOM 1041 CG LYS A 68 8.661 13.976 -8.043 1.00 0.00 C ATOM 1042 CD LYS A 68 7.359 14.558 -8.604 1.00 0.00 C ATOM 1043 CE LYS A 68 7.534 16.046 -8.925 1.00 0.00 C ATOM 1044 NZ LYS A 68 6.319 16.598 -9.526 1.00 0.00 N ATOM 0 H LYS A 68 8.739 10.072 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 68 10.665 12.125 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.178 11.997 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.758 12.289 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.912 14.470 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.481 14.171 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.070 14.017 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.554 14.428 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.774 16.593 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.374 16.179 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.462 17.607 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.106 16.089 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.524 16.491 -8.864 1.00 0.00 H new ATOM 1058 N GLU A 69 9.660 11.553 -4.944 1.00 0.00 N ATOM 1059 CA GLU A 69 9.981 11.798 -3.529 1.00 0.00 C ATOM 1060 C GLU A 69 11.285 11.134 -3.025 1.00 0.00 C ATOM 1061 O GLU A 69 11.816 11.503 -1.979 1.00 0.00 O ATOM 1062 CB GLU A 69 8.806 11.436 -2.611 1.00 0.00 C ATOM 1063 CG GLU A 69 7.702 12.507 -2.601 1.00 0.00 C ATOM 1064 CD GLU A 69 6.728 12.435 -3.782 1.00 0.00 C ATOM 1065 OE1 GLU A 69 7.012 13.081 -4.810 1.00 0.00 O ATOM 1066 OE2 GLU A 69 5.677 11.776 -3.601 1.00 0.00 O ATOM 0 H GLU A 69 8.970 10.815 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 69 10.164 12.872 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.380 10.485 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.176 11.293 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.135 12.416 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.170 13.491 -2.593 1.00 0.00 H new ATOM 1073 N LEU A 70 11.787 10.158 -3.769 1.00 0.00 N ATOM 1074 CA LEU A 70 12.906 9.307 -3.313 1.00 0.00 C ATOM 1075 C LEU A 70 14.325 9.884 -3.486 1.00 0.00 C ATOM 1076 O LEU A 70 15.041 9.629 -4.447 1.00 0.00 O ATOM 1077 CB LEU A 70 12.734 7.901 -3.896 1.00 0.00 C ATOM 1078 CG LEU A 70 12.216 6.889 -2.870 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.864 7.270 -2.252 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.116 5.520 -3.541 1.00 0.00 C ATOM 0 H LEU A 70 11.442 9.925 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 70 12.837 9.263 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.042 7.944 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.691 7.556 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 70 12.927 6.874 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.563 6.506 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.954 8.229 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.113 7.346 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.748 4.788 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.428 5.578 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.101 5.216 -3.896 1.00 0.00 H new ATOM 1092 N ALA A 71 14.681 10.662 -2.468 1.00 0.00 N ATOM 1093 CA ALA A 71 16.065 11.144 -2.204 1.00 0.00 C ATOM 1094 C ALA A 71 17.110 10.028 -1.988 1.00 0.00 C ATOM 1095 O ALA A 71 18.314 10.286 -1.868 1.00 0.00 O ATOM 1096 CB ALA A 71 16.029 12.073 -0.986 1.00 0.00 C ATOM 0 H ALA A 71 14.009 10.993 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 71 16.393 11.666 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.035 12.437 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.373 12.918 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.654 11.525 -0.122 1.00 0.00 H new ATOM 1102 N ALA A 72 16.610 8.812 -1.788 1.00 0.00 N ATOM 1103 CA ALA A 72 17.392 7.563 -1.665 1.00 0.00 C ATOM 1104 C ALA A 72 16.880 6.575 -2.731 1.00 0.00 C ATOM 1105 O ALA A 72 15.729 6.706 -3.166 1.00 0.00 O ATOM 1106 CB ALA A 72 17.175 7.005 -0.250 1.00 0.00 C ATOM 0 H ALA A 72 15.606 8.652 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 72 18.457 7.733 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.742 6.082 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.514 7.735 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.115 6.802 -0.098 1.00 0.00 H new ATOM 1112 N PRO A 73 17.720 5.651 -3.240 1.00 0.00 N ATOM 1113 CA PRO A 73 17.322 4.699 -4.293 1.00 0.00 C ATOM 1114 C PRO A 73 16.172 3.779 -3.861 1.00 0.00 C ATOM 1115 O PRO A 73 16.103 3.361 -2.706 1.00 0.00 O ATOM 1116 CB PRO A 73 18.595 3.917 -4.629 1.00 0.00 C ATOM 1117 CG PRO A 73 19.415 3.998 -3.342 1.00 0.00 C ATOM 1118 CD PRO A 73 19.115 5.402 -2.811 1.00 0.00 C ATOM 0 HA PRO A 73 16.927 5.220 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.372 2.885 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.127 4.359 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.119 3.228 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.479 3.861 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.215 5.449 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.799 6.142 -3.227 1.00 0.00 H new ATOM 1126 N GLY A 74 15.327 3.468 -4.839 1.00 0.00 N ATOM 1127 CA GLY A 74 14.118 2.621 -4.690 1.00 0.00 C ATOM 1128 C GLY A 74 14.409 1.135 -4.390 1.00 0.00 C ATOM 1129 O GLY A 74 14.240 0.274 -5.255 1.00 0.00 O ATOM 0 H GLY A 74 15.457 3.803 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.503 3.027 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.530 2.685 -5.606 1.00 0.00 H new ATOM 1133 N ASN A 75 14.905 0.910 -3.184 1.00 0.00 N ATOM 1134 CA ASN A 75 15.147 -0.430 -2.611 1.00 0.00 C ATOM 1135 C ASN A 75 13.802 -1.086 -2.234 1.00 0.00 C ATOM 1136 O ASN A 75 13.008 -0.492 -1.518 1.00 0.00 O ATOM 1137 CB ASN A 75 16.022 -0.233 -1.378 1.00 0.00 C ATOM 1138 CG ASN A 75 16.625 -1.508 -0.775 1.00 0.00 C ATOM 1139 OD1 ASN A 75 16.288 -2.641 -1.099 1.00 0.00 O ATOM 1140 ND2 ASN A 75 17.546 -1.302 0.123 1.00 0.00 N ATOM 0 H ASN A 75 15.162 1.666 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 75 15.643 -1.087 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.836 0.443 -1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.428 0.263 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.005 -2.094 0.574 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.808 -0.349 0.375 1.00 0.00 H new ATOM 1147 N VAL A 76 13.685 -2.361 -2.605 1.00 0.00 N ATOM 1148 CA VAL A 76 12.457 -3.161 -2.438 1.00 0.00 C ATOM 1149 C VAL A 76 12.768 -4.608 -2.008 1.00 0.00 C ATOM 1150 O VAL A 76 13.692 -5.236 -2.519 1.00 0.00 O ATOM 1151 CB VAL A 76 11.606 -3.065 -3.734 1.00 0.00 C ATOM 1152 CG1 VAL A 76 12.289 -3.661 -4.976 1.00 0.00 C ATOM 1153 CG2 VAL A 76 10.213 -3.654 -3.545 1.00 0.00 C ATOM 0 H VAL A 76 14.449 -2.881 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 76 11.863 -2.752 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 76 11.506 -1.997 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.631 -3.555 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.224 -3.134 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.497 -4.717 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.652 -3.566 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.297 -4.705 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.693 -3.112 -2.755 1.00 0.00 H new ATOM 1163 N ASP A 77 11.894 -5.148 -1.157 1.00 0.00 N ATOM 1164 CA ASP A 77 11.967 -6.554 -0.694 1.00 0.00 C ATOM 1165 C ASP A 77 11.368 -7.501 -1.763 1.00 0.00 C ATOM 1166 O ASP A 77 10.424 -8.254 -1.504 1.00 0.00 O ATOM 1167 CB ASP A 77 11.257 -6.663 0.660 1.00 0.00 C ATOM 1168 CG ASP A 77 11.395 -7.990 1.408 1.00 0.00 C ATOM 1169 OD1 ASP A 77 11.759 -9.001 0.770 1.00 0.00 O ATOM 1170 OD2 ASP A 77 11.147 -7.952 2.629 1.00 0.00 O ATOM 0 H ASP A 77 11.109 -4.629 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 77 13.004 -6.861 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.633 -5.869 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.196 -6.471 0.503 1.00 0.00 H new ATOM 1175 N ASP A 78 12.090 -7.599 -2.878 1.00 0.00 N ATOM 1176 CA ASP A 78 11.700 -8.408 -4.051 1.00 0.00 C ATOM 1177 C ASP A 78 11.444 -9.907 -3.741 1.00 0.00 C ATOM 1178 O ASP A 78 10.733 -10.558 -4.495 1.00 0.00 O ATOM 1179 CB ASP A 78 12.747 -8.232 -5.151 1.00 0.00 C ATOM 1180 CG ASP A 78 12.278 -8.786 -6.512 1.00 0.00 C ATOM 1181 OD1 ASP A 78 11.565 -8.022 -7.200 1.00 0.00 O ATOM 1182 OD2 ASP A 78 12.725 -9.900 -6.846 1.00 0.00 O ATOM 0 H ASP A 78 12.979 -7.114 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 78 10.734 -8.034 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.983 -7.173 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.667 -8.736 -4.855 1.00 0.00 H new ATOM 1187 N LYS A 79 12.026 -10.387 -2.645 1.00 0.00 N ATOM 1188 CA LYS A 79 11.810 -11.737 -2.089 1.00 0.00 C ATOM 1189 C LYS A 79 10.310 -12.054 -1.837 1.00 0.00 C ATOM 1190 O LYS A 79 9.907 -13.211 -1.993 1.00 0.00 O ATOM 1191 CB LYS A 79 12.585 -11.806 -0.760 1.00 0.00 C ATOM 1192 CG LYS A 79 12.879 -13.233 -0.286 1.00 0.00 C ATOM 1193 CD LYS A 79 14.013 -13.915 -1.059 1.00 0.00 C ATOM 1194 CE LYS A 79 15.384 -13.291 -0.753 1.00 0.00 C ATOM 1195 NZ LYS A 79 16.455 -13.986 -1.472 1.00 0.00 N ATOM 0 H LYS A 79 12.684 -9.835 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 79 12.161 -12.476 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.527 -11.269 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.013 -11.288 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.135 -13.209 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.974 -13.832 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.035 -14.975 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.815 -13.845 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.378 -12.238 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.575 -13.334 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.369 -13.543 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.474 -14.985 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.283 -13.923 -2.496 1.00 0.00 H new ATOM 1209 N GLY A 80 9.551 -11.060 -1.389 1.00 0.00 N ATOM 1210 CA GLY A 80 8.085 -11.175 -1.191 1.00 0.00 C ATOM 1211 C GLY A 80 7.346 -10.068 -0.421 1.00 0.00 C ATOM 1212 O GLY A 80 6.330 -10.349 0.210 1.00 0.00 O ATOM 0 H GLY A 80 9.924 -10.142 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.625 -11.253 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.896 -12.117 -0.675 1.00 0.00 H new ATOM 1216 N GLU A 81 7.812 -8.822 -0.530 1.00 0.00 N ATOM 1217 CA GLU A 81 7.235 -7.632 0.139 1.00 0.00 C ATOM 1218 C GLU A 81 7.666 -6.323 -0.537 1.00 0.00 C ATOM 1219 O GLU A 81 8.662 -6.267 -1.240 1.00 0.00 O ATOM 1220 CB GLU A 81 7.627 -7.547 1.629 1.00 0.00 C ATOM 1221 CG GLU A 81 6.674 -8.310 2.551 1.00 0.00 C ATOM 1222 CD GLU A 81 6.934 -7.965 4.018 1.00 0.00 C ATOM 1223 OE1 GLU A 81 7.762 -8.665 4.632 1.00 0.00 O ATOM 1224 OE2 GLU A 81 6.304 -6.987 4.481 1.00 0.00 O ATOM 0 H GLU A 81 8.626 -8.596 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 81 6.155 -7.755 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.636 -7.940 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.653 -6.500 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.643 -8.068 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.797 -9.382 2.399 1.00 0.00 H new ATOM 1231 N LEU A 82 6.970 -5.234 -0.200 1.00 0.00 N ATOM 1232 CA LEU A 82 7.303 -3.909 -0.740 1.00 0.00 C ATOM 1233 C LEU A 82 8.028 -3.030 0.281 1.00 0.00 C ATOM 1234 O LEU A 82 7.685 -2.995 1.465 1.00 0.00 O ATOM 1235 CB LEU A 82 6.025 -3.220 -1.256 1.00 0.00 C ATOM 1236 CG LEU A 82 5.948 -3.028 -2.785 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.919 -1.946 -3.259 1.00 0.00 C ATOM 1238 CD2 LEU A 82 6.146 -4.327 -3.572 1.00 0.00 C ATOM 0 H LEU A 82 6.176 -5.241 0.441 1.00 0.00 H new ATOM 0 HA LEU A 82 7.994 -4.051 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.163 -3.805 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.942 -2.243 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 82 4.931 -2.697 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.840 -1.835 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.672 -0.999 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.938 -2.231 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.080 -4.119 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.127 -4.745 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.373 -5.043 -3.293 1.00 0.00 H new ATOM 1250 N VAL A 83 9.120 -2.471 -0.215 1.00 0.00 N ATOM 1251 CA VAL A 83 9.998 -1.539 0.524 1.00 0.00 C ATOM 1252 C VAL A 83 10.206 -0.305 -0.363 1.00 0.00 C ATOM 1253 O VAL A 83 10.210 -0.411 -1.582 1.00 0.00 O ATOM 1254 CB VAL A 83 11.334 -2.228 0.904 1.00 0.00 C ATOM 1255 CG1 VAL A 83 12.359 -1.273 1.539 1.00 0.00 C ATOM 1256 CG2 VAL A 83 11.092 -3.330 1.934 1.00 0.00 C ATOM 0 H VAL A 83 9.440 -2.649 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 83 9.542 -1.233 1.466 1.00 0.00 H new ATOM 0 HB VAL A 83 11.729 -2.612 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.269 -1.823 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.594 -0.472 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.942 -0.846 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.040 -3.803 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.648 -2.898 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.415 -4.076 1.517 1.00 0.00 H new ATOM 1266 N ILE A 84 10.101 0.855 0.292 1.00 0.00 N ATOM 1267 CA ILE A 84 10.310 2.171 -0.352 1.00 0.00 C ATOM 1268 C ILE A 84 11.387 2.939 0.433 1.00 0.00 C ATOM 1269 O ILE A 84 11.112 3.489 1.507 1.00 0.00 O ATOM 1270 CB ILE A 84 9.031 3.031 -0.404 1.00 0.00 C ATOM 1271 CG1 ILE A 84 7.676 2.285 -0.446 1.00 0.00 C ATOM 1272 CG2 ILE A 84 9.174 4.022 -1.565 1.00 0.00 C ATOM 1273 CD1 ILE A 84 7.389 1.392 -1.666 1.00 0.00 C ATOM 0 H ILE A 84 9.869 0.917 1.283 1.00 0.00 H new ATOM 0 HA ILE A 84 10.615 1.982 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 84 8.971 3.536 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.607 1.665 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.882 3.028 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.281 4.644 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.046 4.654 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.297 3.473 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.406 0.934 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.411 1.997 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.147 0.612 -1.732 1.00 0.00 H new ATOM 1285 N GLN A 85 12.608 2.931 -0.095 1.00 0.00 N ATOM 1286 CA GLN A 85 13.747 3.660 0.512 1.00 0.00 C ATOM 1287 C GLN A 85 13.870 5.105 0.014 1.00 0.00 C ATOM 1288 O GLN A 85 14.343 5.371 -1.092 1.00 0.00 O ATOM 1289 CB GLN A 85 15.044 2.853 0.350 1.00 0.00 C ATOM 1290 CG GLN A 85 16.185 3.446 1.180 1.00 0.00 C ATOM 1291 CD GLN A 85 17.271 2.433 1.558 1.00 0.00 C ATOM 1292 OE1 GLN A 85 17.668 1.544 0.820 1.00 0.00 O ATOM 1293 NE2 GLN A 85 17.776 2.565 2.759 1.00 0.00 N ATOM 0 H GLN A 85 12.847 2.427 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 85 13.548 3.755 1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.871 1.821 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.331 2.832 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.642 4.262 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.772 3.877 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.443 3.308 3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.502 1.925 3.080 1.00 0.00 H new ATOM 1302 N GLY A 86 13.458 6.019 0.890 1.00 0.00 N ATOM 1303 CA GLY A 86 13.460 7.473 0.648 1.00 0.00 C ATOM 1304 C GLY A 86 12.515 8.218 1.587 1.00 0.00 C ATOM 1305 O GLY A 86 12.207 7.763 2.686 1.00 0.00 O ATOM 0 H GLY A 86 13.103 5.770 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.472 7.859 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.171 7.668 -0.385 1.00 0.00 H new ATOM 1309 N LYS A 87 11.980 9.324 1.070 1.00 0.00 N ATOM 1310 CA LYS A 87 11.043 10.214 1.786 1.00 0.00 C ATOM 1311 C LYS A 87 9.711 9.541 2.189 1.00 0.00 C ATOM 1312 O LYS A 87 9.003 10.018 3.077 1.00 0.00 O ATOM 1313 CB LYS A 87 10.766 11.436 0.909 1.00 0.00 C ATOM 1314 CG LYS A 87 10.350 12.669 1.722 1.00 0.00 C ATOM 1315 CD LYS A 87 10.122 13.864 0.787 1.00 0.00 C ATOM 1316 CE LYS A 87 9.866 15.169 1.563 1.00 0.00 C ATOM 1317 NZ LYS A 87 8.630 15.130 2.345 1.00 0.00 N ATOM 0 H LYS A 87 12.185 9.640 0.122 1.00 0.00 H new ATOM 0 HA LYS A 87 11.523 10.495 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.659 11.672 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.978 11.194 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.439 12.455 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.122 12.911 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.992 13.991 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.272 13.657 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.707 15.361 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.820 16.001 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.508 16.033 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.822 14.975 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.681 14.354 3.036 1.00 0.00 H new ATOM 1331 N PHE A 88 9.359 8.450 1.502 1.00 0.00 N ATOM 1332 CA PHE A 88 8.167 7.635 1.792 1.00 0.00 C ATOM 1333 C PHE A 88 8.240 6.935 3.162 1.00 0.00 C ATOM 1334 O PHE A 88 8.892 5.910 3.342 1.00 0.00 O ATOM 1335 CB PHE A 88 7.943 6.599 0.693 1.00 0.00 C ATOM 1336 CG PHE A 88 7.124 7.043 -0.520 1.00 0.00 C ATOM 1337 CD1 PHE A 88 7.153 8.356 -1.030 1.00 0.00 C ATOM 1338 CD2 PHE A 88 6.266 6.103 -1.108 1.00 0.00 C ATOM 1339 CE1 PHE A 88 6.304 8.717 -2.087 1.00 0.00 C ATOM 1340 CE2 PHE A 88 5.417 6.464 -2.166 1.00 0.00 C ATOM 1341 CZ PHE A 88 5.440 7.773 -2.645 1.00 0.00 C ATOM 0 H PHE A 88 9.902 8.099 0.713 1.00 0.00 H new ATOM 0 HA PHE A 88 7.323 8.324 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.918 6.263 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.450 5.734 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.829 9.085 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.258 5.087 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.319 9.727 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.752 5.735 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.784 8.059 -3.454 1.00 0.00 H new ATOM 1351 N SER A 89 7.828 7.708 4.169 1.00 0.00 N ATOM 1352 CA SER A 89 7.526 7.180 5.511 1.00 0.00 C ATOM 1353 C SER A 89 6.123 7.620 5.953 1.00 0.00 C ATOM 1354 O SER A 89 5.942 8.624 6.646 1.00 0.00 O ATOM 1355 CB SER A 89 8.612 7.585 6.513 1.00 0.00 C ATOM 1356 OG SER A 89 9.812 6.861 6.214 1.00 0.00 O ATOM 0 H SER A 89 7.693 8.715 4.083 1.00 0.00 H new ATOM 0 HA SER A 89 7.526 6.091 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.795 8.658 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.285 7.370 7.530 1.00 0.00 H new ATOM 0 HG SER A 89 9.727 6.435 5.336 1.00 0.00 H new ATOM 1362 N SER A 90 5.139 6.909 5.401 1.00 0.00 N ATOM 1363 CA SER A 90 3.679 7.156 5.509 1.00 0.00 C ATOM 1364 C SER A 90 3.119 8.499 4.983 1.00 0.00 C ATOM 1365 O SER A 90 2.056 8.502 4.350 1.00 0.00 O ATOM 1366 CB SER A 90 3.153 6.867 6.921 1.00 0.00 C ATOM 1367 OG SER A 90 3.222 5.449 7.137 1.00 0.00 O ATOM 0 H SER A 90 5.341 6.090 4.827 1.00 0.00 H new ATOM 0 HA SER A 90 3.287 6.433 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.748 7.396 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.127 7.219 7.025 1.00 0.00 H new ATOM 0 HG SER A 90 2.892 5.239 8.035 1.00 0.00 H new ATOM 1373 N GLN A 91 3.940 9.538 5.039 1.00 0.00 N ATOM 1374 CA GLN A 91 3.684 10.937 4.617 1.00 0.00 C ATOM 1375 C GLN A 91 3.043 11.203 3.232 1.00 0.00 C ATOM 1376 O GLN A 91 2.473 12.274 3.026 1.00 0.00 O ATOM 1377 CB GLN A 91 4.985 11.750 4.709 1.00 0.00 C ATOM 1378 CG GLN A 91 5.477 11.915 6.149 1.00 0.00 C ATOM 1379 CD GLN A 91 6.778 12.729 6.189 1.00 0.00 C ATOM 1380 OE1 GLN A 91 7.865 12.228 5.961 1.00 0.00 O ATOM 1381 NE2 GLN A 91 6.667 14.014 6.425 1.00 0.00 N ATOM 0 H GLN A 91 4.884 9.431 5.409 1.00 0.00 H new ATOM 0 HA GLN A 91 2.910 11.247 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.759 11.258 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.826 12.734 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.712 12.413 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.642 10.935 6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.751 14.420 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.497 14.607 6.419 1.00 0.00 H new ATOM 1390 N VAL A 92 3.125 10.229 2.331 1.00 0.00 N ATOM 1391 CA VAL A 92 2.555 10.335 0.969 1.00 0.00 C ATOM 1392 C VAL A 92 1.439 9.288 0.800 1.00 0.00 C ATOM 1393 O VAL A 92 0.251 9.614 0.817 1.00 0.00 O ATOM 1394 CB VAL A 92 3.659 10.218 -0.117 1.00 0.00 C ATOM 1395 CG1 VAL A 92 3.089 10.430 -1.520 1.00 0.00 C ATOM 1396 CG2 VAL A 92 4.793 11.231 0.103 1.00 0.00 C ATOM 0 H VAL A 92 3.587 9.338 2.513 1.00 0.00 H new ATOM 0 HA VAL A 92 2.112 11.322 0.836 1.00 0.00 H new ATOM 0 HB VAL A 92 4.059 9.208 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.889 10.341 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.327 9.677 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.644 11.423 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.543 11.113 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.389 12.243 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.253 11.057 1.076 1.00 0.00 H new ATOM 1406 N ILE A 93 1.854 8.023 0.696 1.00 0.00 N ATOM 1407 CA ILE A 93 0.975 6.832 0.546 1.00 0.00 C ATOM 1408 C ILE A 93 -0.206 6.798 1.523 1.00 0.00 C ATOM 1409 O ILE A 93 -1.352 7.004 1.105 1.00 0.00 O ATOM 1410 CB ILE A 93 1.745 5.487 0.572 1.00 0.00 C ATOM 1411 CG1 ILE A 93 3.266 5.623 0.783 1.00 0.00 C ATOM 1412 CG2 ILE A 93 1.413 4.722 -0.713 1.00 0.00 C ATOM 1413 CD1 ILE A 93 3.982 4.305 1.104 1.00 0.00 C ATOM 0 H ILE A 93 2.844 7.778 0.713 1.00 0.00 H new ATOM 0 HA ILE A 93 0.555 6.950 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 93 1.412 4.930 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.708 6.053 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.446 6.327 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.944 3.770 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.340 4.539 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.719 5.312 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.047 4.493 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.571 3.881 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.837 3.603 0.283 1.00 0.00 H new ATOM 1425 N ASN A 94 0.064 6.505 2.796 1.00 0.00 N ATOM 1426 CA ASN A 94 -0.924 6.587 3.899 1.00 0.00 C ATOM 1427 C ASN A 94 -1.752 7.878 3.925 1.00 0.00 C ATOM 1428 O ASN A 94 -2.949 7.818 4.191 1.00 0.00 O ATOM 1429 CB ASN A 94 -0.186 6.358 5.221 1.00 0.00 C ATOM 1430 CG ASN A 94 -1.086 6.473 6.467 1.00 0.00 C ATOM 1431 OD1 ASN A 94 -1.673 5.521 6.942 1.00 0.00 O ATOM 1432 ND2 ASN A 94 -1.157 7.663 7.019 1.00 0.00 N ATOM 0 H ASN A 94 0.986 6.198 3.106 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.668 5.808 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.270 5.368 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.625 7.081 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.713 7.801 7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.656 8.449 6.604 1.00 0.00 H new ATOM 1439 N THR A 95 -1.146 9.019 3.613 1.00 0.00 N ATOM 1440 CA THR A 95 -1.858 10.314 3.524 1.00 0.00 C ATOM 1441 C THR A 95 -3.028 10.270 2.520 1.00 0.00 C ATOM 1442 O THR A 95 -4.162 10.539 2.908 1.00 0.00 O ATOM 1443 CB THR A 95 -0.878 11.448 3.186 1.00 0.00 C ATOM 1444 OG1 THR A 95 0.217 11.373 4.087 1.00 0.00 O ATOM 1445 CG2 THR A 95 -1.515 12.837 3.289 1.00 0.00 C ATOM 0 H THR A 95 -0.148 9.085 3.413 1.00 0.00 H new ATOM 0 HA THR A 95 -2.293 10.513 4.503 1.00 0.00 H new ATOM 0 HB THR A 95 -0.561 11.318 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.898 12.029 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.774 13.596 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.353 12.905 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.872 12.999 4.306 1.00 0.00 H new ATOM 1453 N LEU A 96 -2.772 9.819 1.288 1.00 0.00 N ATOM 1454 CA LEU A 96 -3.845 9.650 0.294 1.00 0.00 C ATOM 1455 C LEU A 96 -4.834 8.525 0.680 1.00 0.00 C ATOM 1456 O LEU A 96 -6.045 8.766 0.720 1.00 0.00 O ATOM 1457 CB LEU A 96 -3.297 9.485 -1.118 1.00 0.00 C ATOM 1458 CG LEU A 96 -4.147 10.239 -2.159 1.00 0.00 C ATOM 1459 CD1 LEU A 96 -3.337 10.471 -3.427 1.00 0.00 C ATOM 1460 CD2 LEU A 96 -5.441 9.483 -2.509 1.00 0.00 C ATOM 0 H LEU A 96 -1.842 9.566 0.954 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.421 10.575 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.271 9.851 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.266 8.426 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.427 11.194 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.947 11.004 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.453 11.063 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.030 9.512 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.007 10.053 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.191 8.505 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.043 9.355 -1.609 1.00 0.00 H new ATOM 1472 N MET A 97 -4.300 7.433 1.215 1.00 0.00 N ATOM 1473 CA MET A 97 -5.092 6.326 1.808 1.00 0.00 C ATOM 1474 C MET A 97 -6.086 6.796 2.896 1.00 0.00 C ATOM 1475 O MET A 97 -7.208 6.301 2.960 1.00 0.00 O ATOM 1476 CB MET A 97 -4.097 5.244 2.247 1.00 0.00 C ATOM 1477 CG MET A 97 -4.509 4.311 3.400 1.00 0.00 C ATOM 1478 SD MET A 97 -4.234 5.092 5.034 1.00 0.00 S ATOM 1479 CE MET A 97 -4.816 3.826 6.139 1.00 0.00 C ATOM 0 H MET A 97 -3.293 7.275 1.257 1.00 0.00 H new ATOM 0 HA MET A 97 -5.767 5.895 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 97 -3.873 4.624 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.169 5.739 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.561 4.046 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.939 3.384 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.145 3.753 6.995 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.819 4.078 6.485 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.842 2.870 5.616 1.00 0.00 H new ATOM 1489 N GLU A 98 -5.644 7.709 3.757 1.00 0.00 N ATOM 1490 CA GLU A 98 -6.503 8.306 4.803 1.00 0.00 C ATOM 1491 C GLU A 98 -7.497 9.366 4.297 1.00 0.00 C ATOM 1492 O GLU A 98 -8.667 9.282 4.624 1.00 0.00 O ATOM 1493 CB GLU A 98 -5.714 8.762 6.042 1.00 0.00 C ATOM 1494 CG GLU A 98 -4.784 9.969 5.846 1.00 0.00 C ATOM 1495 CD GLU A 98 -3.998 10.337 7.102 1.00 0.00 C ATOM 1496 OE1 GLU A 98 -3.484 9.415 7.776 1.00 0.00 O ATOM 1497 OE2 GLU A 98 -3.814 11.554 7.311 1.00 0.00 O ATOM 0 H GLU A 98 -4.687 8.061 3.758 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.137 7.482 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.425 9.002 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.116 7.922 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.084 9.752 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.377 10.828 5.532 1.00 0.00 H new ATOM 1504 N ARG A 99 -7.067 10.269 3.400 1.00 0.00 N ATOM 1505 CA ARG A 99 -7.994 11.213 2.752 1.00 0.00 C ATOM 1506 C ARG A 99 -9.068 10.512 1.883 1.00 0.00 C ATOM 1507 O ARG A 99 -10.017 11.146 1.437 1.00 0.00 O ATOM 1508 CB ARG A 99 -7.246 12.346 2.032 1.00 0.00 C ATOM 1509 CG ARG A 99 -6.439 11.959 0.793 1.00 0.00 C ATOM 1510 CD ARG A 99 -7.263 12.032 -0.494 1.00 0.00 C ATOM 1511 NE ARG A 99 -6.888 13.243 -1.254 1.00 0.00 N ATOM 1512 CZ ARG A 99 -7.569 14.383 -1.327 1.00 0.00 C ATOM 1513 NH1 ARG A 99 -8.653 14.611 -0.591 1.00 0.00 N ATOM 1514 NH2 ARG A 99 -7.126 15.379 -2.085 1.00 0.00 N ATOM 0 H ARG A 99 -6.094 10.365 3.109 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.564 11.693 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.974 13.103 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.569 12.814 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.576 12.619 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.054 10.947 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.090 11.142 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.327 12.054 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.014 13.200 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.988 13.899 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.149 15.498 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.261 15.271 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.651 16.252 -2.138 1.00 0.00 H new ATOM 1528 N PHE A 100 -8.749 9.289 1.464 1.00 0.00 N ATOM 1529 CA PHE A 100 -9.710 8.294 0.951 1.00 0.00 C ATOM 1530 C PHE A 100 -10.582 7.665 2.058 1.00 0.00 C ATOM 1531 O PHE A 100 -11.695 8.141 2.296 1.00 0.00 O ATOM 1532 CB PHE A 100 -8.928 7.271 0.110 1.00 0.00 C ATOM 1533 CG PHE A 100 -9.732 6.138 -0.545 1.00 0.00 C ATOM 1534 CD1 PHE A 100 -11.076 6.286 -0.925 1.00 0.00 C ATOM 1535 CD2 PHE A 100 -9.053 4.944 -0.854 1.00 0.00 C ATOM 1536 CE1 PHE A 100 -11.732 5.250 -1.603 1.00 0.00 C ATOM 1537 CE2 PHE A 100 -9.707 3.918 -1.534 1.00 0.00 C ATOM 1538 CZ PHE A 100 -11.051 4.066 -1.914 1.00 0.00 C ATOM 0 H PHE A 100 -7.789 8.945 1.469 1.00 0.00 H new ATOM 0 HA PHE A 100 -10.444 8.785 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.404 7.812 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.168 6.820 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -11.604 7.199 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.020 4.822 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.768 5.365 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.178 3.006 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.557 3.272 -2.443 1.00 0.00 H new ATOM 1548 N LEU A 101 -10.066 6.670 2.787 1.00 0.00 N ATOM 1549 CA LEU A 101 -10.850 5.919 3.799 1.00 0.00 C ATOM 1550 C LEU A 101 -11.264 6.733 5.045 1.00 0.00 C ATOM 1551 O LEU A 101 -12.453 6.963 5.277 1.00 0.00 O ATOM 1552 CB LEU A 101 -10.108 4.622 4.203 1.00 0.00 C ATOM 1553 CG LEU A 101 -10.891 3.755 5.196 1.00 0.00 C ATOM 1554 CD1 LEU A 101 -12.148 3.132 4.569 1.00 0.00 C ATOM 1555 CD2 LEU A 101 -9.990 2.673 5.793 1.00 0.00 C ATOM 0 H LEU A 101 -9.099 6.356 2.700 1.00 0.00 H new ATOM 0 HA LEU A 101 -11.791 5.671 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.900 4.037 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.146 4.885 4.642 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.230 4.413 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.665 2.528 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.811 3.924 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.861 2.502 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.564 2.068 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.607 2.037 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -9.156 3.142 6.315 1.00 0.00 H new ATOM 1567 N LYS A 102 -10.272 7.209 5.789 1.00 0.00 N ATOM 1568 CA LYS A 102 -10.453 7.989 7.032 1.00 0.00 C ATOM 1569 C LYS A 102 -11.344 9.241 6.837 1.00 0.00 C ATOM 1570 O LYS A 102 -12.007 9.659 7.776 1.00 0.00 O ATOM 1571 CB LYS A 102 -9.074 8.389 7.590 1.00 0.00 C ATOM 1572 CG LYS A 102 -9.136 9.128 8.934 1.00 0.00 C ATOM 1573 CD LYS A 102 -7.857 9.954 9.143 1.00 0.00 C ATOM 1574 CE LYS A 102 -8.020 10.861 10.365 1.00 0.00 C ATOM 1575 NZ LYS A 102 -6.916 11.823 10.444 1.00 0.00 N ATOM 0 H LYS A 102 -9.291 7.066 5.548 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.975 7.351 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.467 7.492 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.568 9.023 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.008 9.781 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.252 8.411 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.003 9.291 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.652 10.555 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.970 11.393 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.049 10.257 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.043 12.430 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.014 11.311 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.906 12.412 9.587 1.00 0.00 H new ATOM 1589 N ALA A 103 -11.340 9.802 5.622 1.00 0.00 N ATOM 1590 CA ALA A 103 -12.188 10.937 5.200 1.00 0.00 C ATOM 1591 C ALA A 103 -13.622 10.929 5.755 1.00 0.00 C ATOM 1592 O ALA A 103 -14.052 11.960 6.274 1.00 0.00 O ATOM 1593 CB ALA A 103 -12.246 11.024 3.673 1.00 0.00 C ATOM 0 H ALA A 103 -10.728 9.471 4.876 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.702 11.813 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.874 11.865 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.240 11.168 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.665 10.101 3.272 1.00 0.00 H new ATOM 1599 N TYR A 104 -14.213 9.741 5.862 1.00 0.00 N ATOM 1600 CA TYR A 104 -15.510 9.497 6.529 1.00 0.00 C ATOM 1601 C TYR A 104 -15.585 10.183 7.912 1.00 0.00 C ATOM 1602 O TYR A 104 -16.202 11.246 8.040 1.00 0.00 O ATOM 1603 CB TYR A 104 -15.696 7.973 6.628 1.00 0.00 C ATOM 1604 CG TYR A 104 -17.039 7.538 7.220 1.00 0.00 C ATOM 1605 CD1 TYR A 104 -18.152 7.369 6.374 1.00 0.00 C ATOM 1606 CD2 TYR A 104 -17.121 7.153 8.563 1.00 0.00 C ATOM 1607 CE1 TYR A 104 -19.328 6.803 6.877 1.00 0.00 C ATOM 1608 CE2 TYR A 104 -18.298 6.587 9.066 1.00 0.00 C ATOM 1609 CZ TYR A 104 -19.400 6.405 8.214 1.00 0.00 C ATOM 1610 OH TYR A 104 -20.540 5.817 8.676 1.00 0.00 O ATOM 0 H TYR A 104 -13.799 8.891 5.479 1.00 0.00 H new ATOM 0 HA TYR A 104 -16.321 9.934 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -15.595 7.541 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -14.893 7.560 7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -18.098 7.676 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -16.271 7.293 9.215 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -20.183 6.673 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -18.359 6.292 10.103 1.00 0.00 H new ATOM 0 HH TYR A 104 -20.433 5.597 9.625 1.00 0.00 H new