USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 59 TYR OH : rot 120:sc= -0.292 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -161:sc= -0.0293 (180deg=-0.263) USER MOD Single : A 31 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.077 (180deg=-0.585) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 140:sc= -0.812 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 62 TYR OH : rot 180:sc=-9.83e-05 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 70 CYS SG : rot 0:sc= -4.54! USER MOD Single : A 71 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-2.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.95! C(o=-4!,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= -0.0594 K(o=-0.059,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -7.2! C(o=-7.2!,f=-20!) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= -0.338 (180deg=-0.352) USER MOD Single : A 92 THR OG1 : rot -170:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 13:sc= -0.105 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0277) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -14.241 5.640 -0.617 1.00 0.00 N ATOM 359 CA PRO A 29 -13.416 4.610 -1.254 1.00 0.00 C ATOM 360 C PRO A 29 -13.719 4.461 -2.741 1.00 0.00 C ATOM 361 O PRO A 29 -14.691 5.025 -3.246 1.00 0.00 O ATOM 362 CB PRO A 29 -13.799 3.334 -0.500 1.00 0.00 C ATOM 363 CG PRO A 29 -15.174 3.593 0.011 1.00 0.00 C ATOM 364 CD PRO A 29 -15.234 5.066 0.306 1.00 0.00 C ATOM 0 HA PRO A 29 -12.354 4.850 -1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.778 2.465 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.105 3.133 0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.925 3.312 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.374 3.007 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.230 5.471 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.986 5.278 1.346 1.00 0.00 H new ATOM 372 N LEU A 30 -12.882 3.700 -3.437 1.00 0.00 N ATOM 373 CA LEU A 30 -13.061 3.477 -4.868 1.00 0.00 C ATOM 374 C LEU A 30 -14.284 2.605 -5.134 1.00 0.00 C ATOM 375 O LEU A 30 -14.357 1.466 -4.676 1.00 0.00 O ATOM 376 CB LEU A 30 -11.813 2.821 -5.461 1.00 0.00 C ATOM 377 CG LEU A 30 -11.525 3.134 -6.930 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.085 2.787 -7.276 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.489 2.381 -7.835 1.00 0.00 C ATOM 0 H LEU A 30 -12.073 3.227 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.217 4.444 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.950 3.126 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.908 1.741 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.669 4.203 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.898 3.016 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.410 3.371 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.914 1.725 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.269 2.616 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.377 1.309 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.512 2.678 -7.604 1.00 0.00 H new ATOM 391 N ASN A 31 -15.240 3.148 -5.880 1.00 0.00 N ATOM 392 CA ASN A 31 -16.460 2.419 -6.209 1.00 0.00 C ATOM 393 C ASN A 31 -16.151 1.215 -7.095 1.00 0.00 C ATOM 394 O ASN A 31 -16.153 1.317 -8.322 1.00 0.00 O ATOM 395 CB ASN A 31 -17.457 3.342 -6.913 1.00 0.00 C ATOM 396 CG ASN A 31 -17.878 4.509 -6.042 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.205 4.845 -5.067 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.997 5.134 -6.390 1.00 0.00 N ATOM 0 H ASN A 31 -15.194 4.090 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.902 2.061 -5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.011 3.721 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.339 2.769 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.330 5.927 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.523 4.821 -7.206 1.00 0.00 H new ATOM 405 N LEU A 32 -15.888 0.076 -6.464 1.00 0.00 N ATOM 406 CA LEU A 32 -15.578 -1.149 -7.194 1.00 0.00 C ATOM 407 C LEU A 32 -16.746 -1.562 -8.085 1.00 0.00 C ATOM 408 O LEU A 32 -16.582 -1.764 -9.288 1.00 0.00 O ATOM 409 CB LEU A 32 -15.243 -2.277 -6.217 1.00 0.00 C ATOM 410 CG LEU A 32 -14.148 -1.976 -5.193 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.027 -3.113 -4.191 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.818 -1.734 -5.891 1.00 0.00 C ATOM 0 H LEU A 32 -15.883 -0.025 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.712 -0.956 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.152 -2.546 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.943 -3.152 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.422 -1.070 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.243 -2.881 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.975 -3.239 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.776 -4.035 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.050 -1.521 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.538 -2.622 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.912 -0.885 -6.569 1.00 0.00 H new ATOM 424 N THR A 33 -17.926 -1.683 -7.486 1.00 0.00 N ATOM 425 CA THR A 33 -19.122 -2.070 -8.225 1.00 0.00 C ATOM 426 C THR A 33 -19.139 -1.439 -9.612 1.00 0.00 C ATOM 427 O THR A 33 -19.343 -0.234 -9.754 1.00 0.00 O ATOM 428 CB THR A 33 -20.403 -1.665 -7.472 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.557 -2.097 -8.202 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.459 -0.158 -7.272 1.00 0.00 C ATOM 0 H THR A 33 -18.080 -1.519 -6.491 1.00 0.00 H new ATOM 0 HA THR A 33 -19.096 -3.155 -8.323 1.00 0.00 H new ATOM 0 HB THR A 33 -20.391 -2.146 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.368 -1.837 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.372 0.104 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.594 0.164 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.451 0.338 -8.242 1.00 0.00 H new ATOM 438 N GLY A 34 -18.925 -2.262 -10.635 1.00 0.00 N ATOM 439 CA GLY A 34 -18.921 -1.765 -11.998 1.00 0.00 C ATOM 440 C GLY A 34 -17.625 -2.071 -12.723 1.00 0.00 C ATOM 441 O GLY A 34 -17.636 -2.621 -13.825 1.00 0.00 O ATOM 0 H GLY A 34 -18.754 -3.263 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.753 -2.208 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.083 -0.687 -11.989 1.00 0.00 H new ATOM 445 N LEU A 35 -16.505 -1.714 -12.105 1.00 0.00 N ATOM 446 CA LEU A 35 -15.194 -1.952 -12.699 1.00 0.00 C ATOM 447 C LEU A 35 -15.005 -3.430 -13.027 1.00 0.00 C ATOM 448 O LEU A 35 -15.453 -4.315 -12.298 1.00 0.00 O ATOM 449 CB LEU A 35 -14.089 -1.485 -11.749 1.00 0.00 C ATOM 450 CG LEU A 35 -13.803 0.017 -11.742 1.00 0.00 C ATOM 451 CD1 LEU A 35 -12.903 0.383 -10.572 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.171 0.446 -13.058 1.00 0.00 C ATOM 0 H LEU A 35 -16.478 -1.259 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.134 -1.382 -13.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.355 -1.789 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.169 -2.009 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.748 0.547 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.710 1.456 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.393 0.112 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.959 -0.156 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.974 1.518 -13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.234 -0.092 -13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.851 0.219 -13.879 1.00 0.00 H new ATOM 464 N PRO A 36 -14.325 -3.704 -14.150 1.00 0.00 N ATOM 465 CA PRO A 36 -14.059 -5.074 -14.600 1.00 0.00 C ATOM 466 C PRO A 36 -13.060 -5.795 -13.702 1.00 0.00 C ATOM 467 O PRO A 36 -12.216 -5.166 -13.066 1.00 0.00 O ATOM 468 CB PRO A 36 -13.476 -4.880 -16.002 1.00 0.00 C ATOM 469 CG PRO A 36 -12.888 -3.511 -15.982 1.00 0.00 C ATOM 470 CD PRO A 36 -13.763 -2.699 -15.068 1.00 0.00 C ATOM 0 HA PRO A 36 -14.957 -5.692 -14.579 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.719 -5.633 -16.224 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.247 -4.968 -16.767 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.860 -3.533 -15.621 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.865 -3.081 -16.984 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.191 -1.941 -14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.545 -2.177 -15.620 1.00 0.00 H new ATOM 478 N GLY A 37 -13.161 -7.120 -13.656 1.00 0.00 N ATOM 479 CA GLY A 37 -12.259 -7.905 -12.833 1.00 0.00 C ATOM 480 C GLY A 37 -12.714 -7.985 -11.389 1.00 0.00 C ATOM 481 O GLY A 37 -12.258 -8.843 -10.633 1.00 0.00 O ATOM 0 H GLY A 37 -13.851 -7.664 -14.174 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.182 -8.912 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.262 -7.467 -12.873 1.00 0.00 H new ATOM 485 N THR A 38 -13.614 -7.086 -11.003 1.00 0.00 N ATOM 486 CA THR A 38 -14.128 -7.056 -9.639 1.00 0.00 C ATOM 487 C THR A 38 -14.622 -8.432 -9.208 1.00 0.00 C ATOM 488 O THR A 38 -14.801 -8.692 -8.018 1.00 0.00 O ATOM 489 CB THR A 38 -15.278 -6.041 -9.494 1.00 0.00 C ATOM 490 OG1 THR A 38 -14.857 -4.755 -9.961 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.728 -5.938 -8.045 1.00 0.00 C ATOM 0 H THR A 38 -14.002 -6.369 -11.616 1.00 0.00 H new ATOM 0 HA THR A 38 -13.302 -6.752 -8.996 1.00 0.00 H new ATOM 0 HB THR A 38 -16.119 -6.388 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.826 -4.757 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.541 -5.216 -7.967 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.075 -6.913 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.892 -5.612 -7.427 1.00 0.00 H new ATOM 499 N GLU A 39 -14.841 -9.310 -10.182 1.00 0.00 N ATOM 500 CA GLU A 39 -15.315 -10.660 -9.901 1.00 0.00 C ATOM 501 C GLU A 39 -14.158 -11.654 -9.901 1.00 0.00 C ATOM 502 O GLU A 39 -14.242 -12.723 -9.297 1.00 0.00 O ATOM 503 CB GLU A 39 -16.364 -11.081 -10.932 1.00 0.00 C ATOM 504 CG GLU A 39 -15.767 -11.628 -12.218 1.00 0.00 C ATOM 505 CD GLU A 39 -16.743 -11.587 -13.378 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.671 -10.752 -13.342 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.580 -12.389 -14.321 1.00 0.00 O ATOM 0 H GLU A 39 -14.698 -9.111 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.770 -10.659 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.012 -11.839 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.993 -10.223 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.878 -11.052 -12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.444 -12.656 -12.056 1.00 0.00 H new ATOM 514 N LYS A 40 -13.076 -11.293 -10.584 1.00 0.00 N ATOM 515 CA LYS A 40 -11.900 -12.152 -10.664 1.00 0.00 C ATOM 516 C LYS A 40 -11.203 -12.247 -9.310 1.00 0.00 C ATOM 517 O LYS A 40 -10.796 -13.329 -8.885 1.00 0.00 O ATOM 518 CB LYS A 40 -10.924 -11.618 -11.715 1.00 0.00 C ATOM 519 CG LYS A 40 -11.165 -12.176 -13.107 1.00 0.00 C ATOM 520 CD LYS A 40 -10.055 -11.781 -14.066 1.00 0.00 C ATOM 521 CE LYS A 40 -10.362 -10.464 -14.763 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.561 -10.567 -15.640 1.00 0.00 N ATOM 0 H LYS A 40 -12.989 -10.412 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.228 -13.150 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.000 -10.531 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.906 -11.857 -11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.235 -13.263 -13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.120 -11.812 -13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.115 -11.695 -13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.920 -12.565 -14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.524 -9.687 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.502 -10.159 -15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.488 -9.872 -16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.616 -11.525 -16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.417 -10.376 -15.081 1.00 0.00 H new ATOM 536 N LEU A 41 -11.069 -11.109 -8.638 1.00 0.00 N ATOM 537 CA LEU A 41 -10.423 -11.065 -7.331 1.00 0.00 C ATOM 538 C LEU A 41 -11.431 -11.322 -6.215 1.00 0.00 C ATOM 539 O LEU A 41 -12.633 -11.413 -6.461 1.00 0.00 O ATOM 540 CB LEU A 41 -9.746 -9.709 -7.120 1.00 0.00 C ATOM 541 CG LEU A 41 -10.531 -8.486 -7.598 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.926 -8.477 -6.992 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.787 -7.206 -7.248 1.00 0.00 C ATOM 0 H LEU A 41 -11.399 -10.205 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.668 -11.850 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.539 -9.590 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.784 -9.722 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.629 -8.541 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.470 -7.600 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.459 -9.379 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.850 -8.446 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.359 -6.346 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.658 -7.144 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.809 -7.210 -7.730 1.00 0.00 H new ATOM 555 N ASN A 42 -10.932 -11.435 -4.988 1.00 0.00 N ATOM 556 CA ASN A 42 -11.790 -11.679 -3.834 1.00 0.00 C ATOM 557 C ASN A 42 -11.772 -10.488 -2.881 1.00 0.00 C ATOM 558 O ASN A 42 -10.939 -9.591 -3.010 1.00 0.00 O ATOM 559 CB ASN A 42 -11.341 -12.943 -3.097 1.00 0.00 C ATOM 560 CG ASN A 42 -11.276 -14.152 -4.010 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.175 -14.381 -4.819 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.209 -14.932 -3.883 1.00 0.00 N ATOM 0 H ASN A 42 -9.939 -11.362 -4.767 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.810 -11.818 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.360 -12.773 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.030 -13.147 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.110 -15.760 -4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.488 -14.703 -3.198 1.00 0.00 H new ATOM 569 N GLU A 43 -12.696 -10.487 -1.926 1.00 0.00 N ATOM 570 CA GLU A 43 -12.786 -9.406 -0.952 1.00 0.00 C ATOM 571 C GLU A 43 -11.397 -8.943 -0.523 1.00 0.00 C ATOM 572 O GLU A 43 -11.112 -7.746 -0.486 1.00 0.00 O ATOM 573 CB GLU A 43 -13.586 -9.858 0.272 1.00 0.00 C ATOM 574 CG GLU A 43 -13.218 -11.249 0.760 1.00 0.00 C ATOM 575 CD GLU A 43 -14.297 -11.867 1.627 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.489 -11.726 1.281 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.951 -12.491 2.652 1.00 0.00 O ATOM 0 H GLU A 43 -13.393 -11.222 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.299 -8.568 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.429 -9.145 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.648 -9.837 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.033 -11.894 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.288 -11.197 1.326 1.00 0.00 H new ATOM 584 N LYS A 44 -10.535 -9.901 -0.198 1.00 0.00 N ATOM 585 CA LYS A 44 -9.175 -9.594 0.229 1.00 0.00 C ATOM 586 C LYS A 44 -8.578 -8.475 -0.618 1.00 0.00 C ATOM 587 O LYS A 44 -8.282 -7.393 -0.113 1.00 0.00 O ATOM 588 CB LYS A 44 -8.295 -10.843 0.135 1.00 0.00 C ATOM 589 CG LYS A 44 -8.607 -11.888 1.192 1.00 0.00 C ATOM 590 CD LYS A 44 -7.829 -11.636 2.472 1.00 0.00 C ATOM 591 CE LYS A 44 -7.973 -12.793 3.449 1.00 0.00 C ATOM 592 NZ LYS A 44 -9.242 -12.709 4.224 1.00 0.00 N ATOM 0 H LYS A 44 -10.754 -10.897 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.213 -9.260 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.416 -11.289 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.250 -10.548 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.675 -11.881 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.366 -12.879 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.775 -11.487 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.183 -10.717 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.943 -13.736 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.127 -12.796 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.303 -13.515 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.260 -11.821 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.050 -12.732 3.570 1.00 0.00 H new ATOM 606 N GLU A 45 -8.407 -8.742 -1.909 1.00 0.00 N ATOM 607 CA GLU A 45 -7.847 -7.756 -2.825 1.00 0.00 C ATOM 608 C GLU A 45 -8.761 -6.539 -2.940 1.00 0.00 C ATOM 609 O GLU A 45 -8.302 -5.397 -2.902 1.00 0.00 O ATOM 610 CB GLU A 45 -7.629 -8.376 -4.207 1.00 0.00 C ATOM 611 CG GLU A 45 -6.911 -9.715 -4.167 1.00 0.00 C ATOM 612 CD GLU A 45 -7.317 -10.628 -5.308 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.775 -10.465 -6.421 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.176 -11.507 -5.086 1.00 0.00 O ATOM 0 H GLU A 45 -8.648 -9.633 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.886 -7.431 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.595 -8.506 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.053 -7.683 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.835 -9.547 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.123 -10.209 -3.218 1.00 0.00 H new ATOM 621 N LYS A 46 -10.057 -6.792 -3.082 1.00 0.00 N ATOM 622 CA LYS A 46 -11.038 -5.719 -3.202 1.00 0.00 C ATOM 623 C LYS A 46 -10.744 -4.600 -2.208 1.00 0.00 C ATOM 624 O LYS A 46 -10.903 -3.422 -2.523 1.00 0.00 O ATOM 625 CB LYS A 46 -12.450 -6.263 -2.972 1.00 0.00 C ATOM 626 CG LYS A 46 -12.916 -7.222 -4.053 1.00 0.00 C ATOM 627 CD LYS A 46 -14.388 -7.565 -3.898 1.00 0.00 C ATOM 628 CE LYS A 46 -15.271 -6.585 -4.654 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.627 -6.477 -4.047 1.00 0.00 N ATOM 0 H LYS A 46 -10.453 -7.731 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.973 -5.311 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.482 -6.772 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.147 -5.427 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.747 -6.777 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.322 -8.135 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.568 -8.576 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.655 -7.557 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.798 -5.603 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.362 -6.905 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.198 -5.799 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.089 -7.409 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.542 -6.147 -3.064 1.00 0.00 H new ATOM 643 N GLU A 47 -10.315 -4.978 -1.008 1.00 0.00 N ATOM 644 CA GLU A 47 -9.999 -4.005 0.031 1.00 0.00 C ATOM 645 C GLU A 47 -8.977 -2.988 -0.469 1.00 0.00 C ATOM 646 O GLU A 47 -9.214 -1.780 -0.426 1.00 0.00 O ATOM 647 CB GLU A 47 -9.463 -4.712 1.278 1.00 0.00 C ATOM 648 CG GLU A 47 -8.828 -3.770 2.287 1.00 0.00 C ATOM 649 CD GLU A 47 -9.856 -3.009 3.101 1.00 0.00 C ATOM 650 OE1 GLU A 47 -11.026 -3.444 3.135 1.00 0.00 O ATOM 651 OE2 GLU A 47 -9.490 -1.978 3.704 1.00 0.00 O ATOM 0 H GLU A 47 -10.178 -5.950 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.917 -3.476 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.280 -5.250 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.726 -5.456 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.188 -4.341 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.187 -3.061 1.763 1.00 0.00 H new ATOM 658 N LEU A 48 -7.839 -3.485 -0.942 1.00 0.00 N ATOM 659 CA LEU A 48 -6.779 -2.621 -1.450 1.00 0.00 C ATOM 660 C LEU A 48 -7.327 -1.633 -2.474 1.00 0.00 C ATOM 661 O LEU A 48 -7.068 -0.431 -2.392 1.00 0.00 O ATOM 662 CB LEU A 48 -5.667 -3.462 -2.079 1.00 0.00 C ATOM 663 CG LEU A 48 -4.751 -4.202 -1.104 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.877 -5.201 -1.846 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.893 -3.215 -0.325 1.00 0.00 C ATOM 0 H LEU A 48 -7.627 -4.482 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.369 -2.057 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.125 -4.195 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.052 -2.810 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.373 -4.750 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.232 -5.718 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.509 -5.927 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.263 -4.675 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.247 -3.759 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.280 -2.639 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.536 -2.539 0.238 1.00 0.00 H new ATOM 677 N CYS A 49 -8.086 -2.145 -3.436 1.00 0.00 N ATOM 678 CA CYS A 49 -8.672 -1.307 -4.476 1.00 0.00 C ATOM 679 C CYS A 49 -9.400 -0.113 -3.867 1.00 0.00 C ATOM 680 O CYS A 49 -9.489 0.950 -4.480 1.00 0.00 O ATOM 681 CB CYS A 49 -9.637 -2.124 -5.335 1.00 0.00 C ATOM 682 SG CYS A 49 -8.890 -3.580 -6.105 1.00 0.00 S ATOM 0 H CYS A 49 -8.310 -3.137 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.864 -0.934 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.476 -2.444 -4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.044 -1.482 -6.116 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.727 -4.573 -6.058 1.00 0.00 H new ATOM 688 N GLN A 50 -9.919 -0.298 -2.657 1.00 0.00 N ATOM 689 CA GLN A 50 -10.641 0.764 -1.966 1.00 0.00 C ATOM 690 C GLN A 50 -9.682 1.658 -1.188 1.00 0.00 C ATOM 691 O GLN A 50 -9.492 2.826 -1.528 1.00 0.00 O ATOM 692 CB GLN A 50 -11.683 0.167 -1.018 1.00 0.00 C ATOM 693 CG GLN A 50 -12.632 -0.810 -1.694 1.00 0.00 C ATOM 694 CD GLN A 50 -13.929 -0.987 -0.929 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.655 -0.024 -0.684 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.227 -2.224 -0.548 1.00 0.00 N ATOM 0 H GLN A 50 -9.853 -1.172 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.147 1.372 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.170 -0.343 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.263 0.976 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.854 -0.457 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.140 -1.777 -1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.596 -2.993 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.087 -2.405 -0.031 1.00 0.00 H new ATOM 705 N VAL A 51 -9.079 1.102 -0.142 1.00 0.00 N ATOM 706 CA VAL A 51 -8.138 1.849 0.684 1.00 0.00 C ATOM 707 C VAL A 51 -7.062 2.510 -0.169 1.00 0.00 C ATOM 708 O VAL A 51 -6.793 3.704 -0.034 1.00 0.00 O ATOM 709 CB VAL A 51 -7.464 0.940 1.729 1.00 0.00 C ATOM 710 CG1 VAL A 51 -7.055 -0.384 1.100 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.263 1.639 2.347 1.00 0.00 C ATOM 0 H VAL A 51 -9.225 0.137 0.153 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.712 2.619 1.200 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.182 0.732 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.581 -1.013 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.938 -0.889 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.353 -0.199 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.799 0.982 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.540 1.878 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.588 2.558 2.835 1.00 0.00 H new ATOM 721 N VAL A 52 -6.448 1.726 -1.049 1.00 0.00 N ATOM 722 CA VAL A 52 -5.401 2.235 -1.927 1.00 0.00 C ATOM 723 C VAL A 52 -5.990 3.067 -3.060 1.00 0.00 C ATOM 724 O VAL A 52 -5.305 3.900 -3.654 1.00 0.00 O ATOM 725 CB VAL A 52 -4.565 1.088 -2.527 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.268 1.624 -3.114 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.285 0.026 -1.475 1.00 0.00 C ATOM 0 H VAL A 52 -6.658 0.735 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.754 2.865 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.137 0.627 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.690 0.800 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.495 2.345 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.688 2.112 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.694 -0.776 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.733 0.471 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.228 -0.379 -1.107 1.00 0.00 H new ATOM 737 N ARG A 53 -7.265 2.836 -3.355 1.00 0.00 N ATOM 738 CA ARG A 53 -7.947 3.564 -4.418 1.00 0.00 C ATOM 739 C ARG A 53 -7.370 3.201 -5.783 1.00 0.00 C ATOM 740 O ARG A 53 -6.993 4.077 -6.562 1.00 0.00 O ATOM 741 CB ARG A 53 -7.831 5.072 -4.188 1.00 0.00 C ATOM 742 CG ARG A 53 -8.257 5.511 -2.796 1.00 0.00 C ATOM 743 CD ARG A 53 -7.873 6.957 -2.526 1.00 0.00 C ATOM 744 NE ARG A 53 -8.756 7.584 -1.546 1.00 0.00 N ATOM 745 CZ ARG A 53 -8.450 8.696 -0.887 1.00 0.00 C ATOM 746 NH1 ARG A 53 -7.290 9.300 -1.102 1.00 0.00 N ATOM 747 NH2 ARG A 53 -9.306 9.205 -0.010 1.00 0.00 N ATOM 0 H ARG A 53 -7.846 2.151 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.999 3.280 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.798 5.378 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.442 5.592 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.336 5.394 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.792 4.865 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.845 6.998 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.907 7.521 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.657 7.144 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.630 8.911 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.058 10.154 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.199 8.742 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.071 10.059 0.496 1.00 0.00 H new ATOM 761 N LEU A 54 -7.303 1.904 -6.065 1.00 0.00 N ATOM 762 CA LEU A 54 -6.772 1.425 -7.336 1.00 0.00 C ATOM 763 C LEU A 54 -7.758 0.481 -8.018 1.00 0.00 C ATOM 764 O LEU A 54 -8.419 -0.323 -7.361 1.00 0.00 O ATOM 765 CB LEU A 54 -5.436 0.712 -7.116 1.00 0.00 C ATOM 766 CG LEU A 54 -4.452 0.753 -8.286 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.072 0.298 -7.839 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.954 -0.109 -9.435 1.00 0.00 C ATOM 0 H LEU A 54 -7.610 1.166 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.616 2.287 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.951 1.152 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.639 -0.331 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.376 1.782 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.385 0.334 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.710 0.956 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.130 -0.723 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.241 -0.068 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.059 -1.140 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.921 0.263 -9.773 1.00 0.00 H new ATOM 780 N VAL A 55 -7.850 0.584 -9.340 1.00 0.00 N ATOM 781 CA VAL A 55 -8.752 -0.261 -10.112 1.00 0.00 C ATOM 782 C VAL A 55 -8.444 -1.738 -9.892 1.00 0.00 C ATOM 783 O VAL A 55 -7.289 -2.165 -9.902 1.00 0.00 O ATOM 784 CB VAL A 55 -8.665 0.052 -11.617 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.482 -0.950 -12.419 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.130 1.474 -11.893 1.00 0.00 C ATOM 0 H VAL A 55 -7.310 1.245 -9.899 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.762 -0.047 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.624 -0.032 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.409 -0.713 -13.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.098 -1.955 -12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.525 -0.901 -12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.062 1.678 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.164 1.589 -11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.498 2.176 -11.349 1.00 0.00 H new ATOM 796 N PRO A 56 -9.500 -2.540 -9.690 1.00 0.00 N ATOM 797 CA PRO A 56 -9.368 -3.982 -9.466 1.00 0.00 C ATOM 798 C PRO A 56 -8.920 -4.725 -10.720 1.00 0.00 C ATOM 799 O PRO A 56 -8.082 -5.624 -10.654 1.00 0.00 O ATOM 800 CB PRO A 56 -10.782 -4.410 -9.067 1.00 0.00 C ATOM 801 CG PRO A 56 -11.675 -3.391 -9.686 1.00 0.00 C ATOM 802 CD PRO A 56 -10.905 -2.100 -9.666 1.00 0.00 C ATOM 0 HA PRO A 56 -8.611 -4.210 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.011 -5.411 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.898 -4.432 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.940 -3.672 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.607 -3.298 -9.128 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.145 -1.476 -10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.127 -1.513 -8.775 1.00 0.00 H new ATOM 810 N GLY A 57 -9.483 -4.343 -11.862 1.00 0.00 N ATOM 811 CA GLY A 57 -9.128 -4.984 -13.115 1.00 0.00 C ATOM 812 C GLY A 57 -7.667 -4.794 -13.470 1.00 0.00 C ATOM 813 O GLY A 57 -7.104 -5.565 -14.246 1.00 0.00 O ATOM 0 H GLY A 57 -10.179 -3.601 -11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.347 -6.050 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.749 -4.580 -13.915 1.00 0.00 H new ATOM 817 N ALA A 58 -7.050 -3.763 -12.900 1.00 0.00 N ATOM 818 CA ALA A 58 -5.645 -3.475 -13.161 1.00 0.00 C ATOM 819 C ALA A 58 -4.741 -4.233 -12.195 1.00 0.00 C ATOM 820 O ALA A 58 -3.837 -4.956 -12.613 1.00 0.00 O ATOM 821 CB ALA A 58 -5.388 -1.978 -13.064 1.00 0.00 C ATOM 0 H ALA A 58 -7.501 -3.114 -12.255 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.412 -3.808 -14.172 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.335 -1.776 -13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.001 -1.455 -13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.643 -1.629 -12.063 1.00 0.00 H new ATOM 827 N TYR A 59 -4.990 -4.061 -10.901 1.00 0.00 N ATOM 828 CA TYR A 59 -4.195 -4.727 -9.876 1.00 0.00 C ATOM 829 C TYR A 59 -3.832 -6.146 -10.303 1.00 0.00 C ATOM 830 O TYR A 59 -2.762 -6.654 -9.965 1.00 0.00 O ATOM 831 CB TYR A 59 -4.960 -4.762 -8.551 1.00 0.00 C ATOM 832 CG TYR A 59 -4.491 -5.848 -7.610 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.190 -5.859 -7.124 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.350 -6.864 -7.207 1.00 0.00 C ATOM 835 CE1 TYR A 59 -2.757 -6.850 -6.264 1.00 0.00 C ATOM 836 CE2 TYR A 59 -4.926 -7.858 -6.347 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.628 -7.847 -5.878 1.00 0.00 C ATOM 838 OH TYR A 59 -3.202 -8.836 -5.022 1.00 0.00 O ATOM 0 H TYR A 59 -5.735 -3.467 -10.538 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.273 -4.160 -9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.858 -3.796 -8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.021 -4.905 -8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.505 -5.080 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.366 -6.876 -7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.742 -6.844 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.606 -8.640 -6.043 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.748 -8.822 -4.208 1.00 0.00 H new ATOM 848 N LEU A 60 -4.730 -6.780 -11.050 1.00 0.00 N ATOM 849 CA LEU A 60 -4.505 -8.140 -11.526 1.00 0.00 C ATOM 850 C LEU A 60 -3.408 -8.172 -12.586 1.00 0.00 C ATOM 851 O LEU A 60 -2.550 -9.054 -12.577 1.00 0.00 O ATOM 852 CB LEU A 60 -5.800 -8.722 -12.097 1.00 0.00 C ATOM 853 CG LEU A 60 -7.038 -8.606 -11.208 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.295 -8.938 -11.996 1.00 0.00 C ATOM 855 CD2 LEU A 60 -6.910 -9.516 -9.995 1.00 0.00 C ATOM 0 H LEU A 60 -5.620 -6.374 -11.339 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.184 -8.747 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.010 -8.226 -13.045 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.634 -9.776 -12.319 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.116 -7.576 -10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.166 -8.850 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.394 -8.245 -12.832 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.228 -9.957 -12.376 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.800 -9.421 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.807 -10.550 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.031 -9.230 -9.417 1.00 0.00 H new ATOM 867 N GLU A 61 -3.443 -7.204 -13.495 1.00 0.00 N ATOM 868 CA GLU A 61 -2.451 -7.121 -14.560 1.00 0.00 C ATOM 869 C GLU A 61 -1.041 -7.024 -13.984 1.00 0.00 C ATOM 870 O GLU A 61 -0.083 -7.529 -14.570 1.00 0.00 O ATOM 871 CB GLU A 61 -2.732 -5.913 -15.457 1.00 0.00 C ATOM 872 CG GLU A 61 -3.700 -6.208 -16.590 1.00 0.00 C ATOM 873 CD GLU A 61 -4.185 -4.951 -17.285 1.00 0.00 C ATOM 874 OE1 GLU A 61 -4.642 -4.024 -16.585 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.107 -4.895 -18.531 1.00 0.00 O ATOM 0 H GLU A 61 -4.147 -6.466 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.519 -8.031 -15.157 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.135 -5.104 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.792 -5.557 -15.877 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.214 -6.857 -17.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.557 -6.755 -16.197 1.00 0.00 H new ATOM 882 N TYR A 62 -0.923 -6.370 -12.834 1.00 0.00 N ATOM 883 CA TYR A 62 0.370 -6.203 -12.180 1.00 0.00 C ATOM 884 C TYR A 62 0.822 -7.505 -11.526 1.00 0.00 C ATOM 885 O TYR A 62 2.017 -7.781 -11.424 1.00 0.00 O ATOM 886 CB TYR A 62 0.294 -5.092 -11.130 1.00 0.00 C ATOM 887 CG TYR A 62 -0.281 -3.798 -11.659 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.375 -3.563 -13.025 1.00 0.00 C ATOM 889 CD2 TYR A 62 -0.731 -2.810 -10.792 1.00 0.00 C ATOM 890 CE1 TYR A 62 -0.898 -2.381 -13.513 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.258 -1.625 -11.271 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.338 -1.416 -12.632 1.00 0.00 C ATOM 893 OH TYR A 62 -1.862 -0.238 -13.113 1.00 0.00 O ATOM 0 H TYR A 62 -1.706 -5.947 -12.336 1.00 0.00 H new ATOM 0 HA TYR A 62 1.100 -5.927 -12.941 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.315 -5.435 -10.293 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.294 -4.903 -10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.033 -4.318 -13.718 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.668 -2.970 -9.726 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.962 -2.214 -14.578 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.605 -0.868 -10.584 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.126 0.334 -12.362 1.00 0.00 H new ATOM 903 N LYS A 63 -0.144 -8.305 -11.086 1.00 0.00 N ATOM 904 CA LYS A 63 0.152 -9.580 -10.443 1.00 0.00 C ATOM 905 C LYS A 63 1.066 -10.431 -11.319 1.00 0.00 C ATOM 906 O LYS A 63 2.164 -10.804 -10.906 1.00 0.00 O ATOM 907 CB LYS A 63 -1.144 -10.340 -10.152 1.00 0.00 C ATOM 908 CG LYS A 63 -2.022 -9.668 -9.110 1.00 0.00 C ATOM 909 CD LYS A 63 -1.652 -10.107 -7.703 1.00 0.00 C ATOM 910 CE LYS A 63 -2.179 -11.500 -7.397 1.00 0.00 C ATOM 911 NZ LYS A 63 -3.665 -11.525 -7.311 1.00 0.00 N ATOM 0 H LYS A 63 -1.139 -8.093 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 63 0.665 -9.375 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.709 -10.445 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.897 -11.346 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.923 -8.586 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.067 -9.908 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.568 -10.094 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.056 -9.397 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.849 -12.191 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.755 -11.850 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.969 -12.378 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.998 -10.680 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.068 -11.535 -8.270 1.00 0.00 H new ATOM 925 N SER A 64 0.607 -10.733 -12.529 1.00 0.00 N ATOM 926 CA SER A 64 1.383 -11.542 -13.461 1.00 0.00 C ATOM 927 C SER A 64 2.826 -11.051 -13.535 1.00 0.00 C ATOM 928 O SER A 64 3.762 -11.797 -13.251 1.00 0.00 O ATOM 929 CB SER A 64 0.748 -11.504 -14.853 1.00 0.00 C ATOM 930 OG SER A 64 -0.404 -12.328 -14.910 1.00 0.00 O ATOM 0 H SER A 64 -0.299 -10.429 -12.887 1.00 0.00 H new ATOM 0 HA SER A 64 1.385 -12.570 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.478 -10.478 -15.105 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.473 -11.835 -15.596 1.00 0.00 H new ATOM 0 HG SER A 64 -0.792 -12.285 -15.809 1.00 0.00 H new ATOM 936 N ALA A 65 2.997 -9.790 -13.920 1.00 0.00 N ATOM 937 CA ALA A 65 4.324 -9.198 -14.029 1.00 0.00 C ATOM 938 C ALA A 65 5.100 -9.345 -12.725 1.00 0.00 C ATOM 939 O ALA A 65 6.165 -9.962 -12.690 1.00 0.00 O ATOM 940 CB ALA A 65 4.217 -7.732 -14.420 1.00 0.00 C ATOM 0 H ALA A 65 2.233 -9.159 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 65 4.870 -9.731 -14.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.216 -7.302 -14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.710 -7.648 -15.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.649 -7.194 -13.662 1.00 0.00 H new ATOM 946 N LEU A 66 4.561 -8.773 -11.654 1.00 0.00 N ATOM 947 CA LEU A 66 5.204 -8.839 -10.346 1.00 0.00 C ATOM 948 C LEU A 66 5.674 -10.258 -10.042 1.00 0.00 C ATOM 949 O LEU A 66 6.784 -10.463 -9.548 1.00 0.00 O ATOM 950 CB LEU A 66 4.240 -8.365 -9.258 1.00 0.00 C ATOM 951 CG LEU A 66 4.027 -6.854 -9.161 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.241 -6.505 -7.907 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.363 -6.125 -9.176 1.00 0.00 C ATOM 0 H LEU A 66 3.680 -8.258 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 66 6.074 -8.183 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.273 -8.838 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.606 -8.723 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 66 3.450 -6.531 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.099 -5.426 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.269 -6.998 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.790 -6.841 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.192 -5.051 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.966 -6.452 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.889 -6.349 -10.104 1.00 0.00 H new ATOM 965 N LEU A 67 4.825 -11.234 -10.342 1.00 0.00 N ATOM 966 CA LEU A 67 5.154 -12.635 -10.104 1.00 0.00 C ATOM 967 C LEU A 67 5.998 -13.198 -11.243 1.00 0.00 C ATOM 968 O LEU A 67 6.687 -14.204 -11.079 1.00 0.00 O ATOM 969 CB LEU A 67 3.876 -13.460 -9.944 1.00 0.00 C ATOM 970 CG LEU A 67 3.007 -13.124 -8.732 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.611 -13.704 -8.898 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.652 -13.640 -7.454 1.00 0.00 C ATOM 0 H LEU A 67 3.903 -11.081 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 67 5.735 -12.694 -9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.273 -13.337 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.152 -14.513 -9.887 1.00 0.00 H new ATOM 0 HG LEU A 67 2.921 -12.040 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.007 -13.454 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.147 -13.286 -9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.676 -14.788 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.020 -13.392 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.769 -14.722 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.630 -13.176 -7.327 1.00 0.00 H new ATOM 984 N ASN A 68 5.938 -12.542 -12.397 1.00 0.00 N ATOM 985 CA ASN A 68 6.698 -12.976 -13.563 1.00 0.00 C ATOM 986 C ASN A 68 8.186 -13.071 -13.239 1.00 0.00 C ATOM 987 O ASN A 68 8.805 -14.118 -13.423 1.00 0.00 O ATOM 988 CB ASN A 68 6.479 -12.009 -14.729 1.00 0.00 C ATOM 989 CG ASN A 68 6.681 -12.674 -16.077 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.806 -12.997 -16.460 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.589 -12.882 -16.804 1.00 0.00 N ATOM 0 H ASN A 68 5.371 -11.708 -12.550 1.00 0.00 H new ATOM 0 HA ASN A 68 6.343 -13.966 -13.849 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.469 -11.602 -14.675 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.167 -11.169 -14.635 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.663 -13.326 -17.719 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.677 -12.598 -16.447 1.00 0.00 H new ATOM 998 N GLU A 69 8.752 -11.969 -12.756 1.00 0.00 N ATOM 999 CA GLU A 69 10.167 -11.929 -12.406 1.00 0.00 C ATOM 1000 C GLU A 69 10.414 -12.598 -11.057 1.00 0.00 C ATOM 1001 O GLU A 69 11.168 -13.567 -10.962 1.00 0.00 O ATOM 1002 CB GLU A 69 10.665 -10.482 -12.369 1.00 0.00 C ATOM 1003 CG GLU A 69 10.121 -9.622 -13.497 1.00 0.00 C ATOM 1004 CD GLU A 69 11.009 -9.641 -14.726 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.948 -8.821 -14.793 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.765 -10.478 -15.620 1.00 0.00 O ATOM 0 H GLU A 69 8.253 -11.093 -12.598 1.00 0.00 H new ATOM 0 HA GLU A 69 10.719 -12.477 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.385 -10.035 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.754 -10.480 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.125 -9.972 -13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.014 -8.595 -13.147 1.00 0.00 H new ATOM 1013 N CYS A 70 9.773 -12.075 -10.018 1.00 0.00 N ATOM 1014 CA CYS A 70 9.923 -12.620 -8.674 1.00 0.00 C ATOM 1015 C CYS A 70 9.981 -14.144 -8.708 1.00 0.00 C ATOM 1016 O CYS A 70 10.559 -14.774 -7.822 1.00 0.00 O ATOM 1017 CB CYS A 70 8.768 -12.161 -7.783 1.00 0.00 C ATOM 1018 SG CYS A 70 8.534 -13.169 -6.300 1.00 0.00 S ATOM 0 H CYS A 70 9.144 -11.274 -10.081 1.00 0.00 H new ATOM 0 HA CYS A 70 10.861 -12.248 -8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.943 -11.128 -7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.847 -12.172 -8.366 1.00 0.00 H new ATOM 0 HG CYS A 70 9.420 -14.120 -6.277 1.00 0.00 H new ATOM 1024 N HIS A 71 9.377 -14.731 -9.736 1.00 0.00 N ATOM 1025 CA HIS A 71 9.358 -16.181 -9.886 1.00 0.00 C ATOM 1026 C HIS A 71 10.702 -16.692 -10.396 1.00 0.00 C ATOM 1027 O HIS A 71 11.213 -17.708 -9.922 1.00 0.00 O ATOM 1028 CB HIS A 71 8.243 -16.602 -10.844 1.00 0.00 C ATOM 1029 CG HIS A 71 6.913 -16.775 -10.176 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.949 -17.648 -10.634 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.390 -16.181 -9.078 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.890 -17.583 -9.847 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.132 -16.700 -8.895 1.00 0.00 N ATOM 0 H HIS A 71 8.894 -14.224 -10.478 1.00 0.00 H new ATOM 0 HA HIS A 71 9.170 -16.620 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.150 -15.854 -11.632 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.523 -17.539 -11.325 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.039 -18.250 -11.453 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.872 -15.437 -8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.981 -18.155 -9.962 1.00 0.00 H new ATOM 1042 N LYS A 72 11.271 -15.982 -11.364 1.00 0.00 N ATOM 1043 CA LYS A 72 12.556 -16.362 -11.938 1.00 0.00 C ATOM 1044 C LYS A 72 13.662 -16.294 -10.890 1.00 0.00 C ATOM 1045 O LYS A 72 14.277 -17.306 -10.558 1.00 0.00 O ATOM 1046 CB LYS A 72 12.900 -15.450 -13.118 1.00 0.00 C ATOM 1047 CG LYS A 72 11.849 -15.452 -14.215 1.00 0.00 C ATOM 1048 CD LYS A 72 11.937 -14.201 -15.073 1.00 0.00 C ATOM 1049 CE LYS A 72 12.984 -14.348 -16.167 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.409 -14.933 -17.410 1.00 0.00 N ATOM 0 H LYS A 72 10.862 -15.139 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 72 12.478 -17.390 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.030 -14.431 -12.753 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.855 -15.762 -13.541 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.978 -16.334 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.857 -15.520 -13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.965 -13.998 -15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.183 -13.344 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.415 -13.372 -16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.796 -14.981 -15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.154 -15.017 -18.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.020 -15.875 -17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.651 -14.316 -17.766 1.00 0.00 H new ATOM 1064 N GLN A 73 13.908 -15.094 -10.373 1.00 0.00 N ATOM 1065 CA GLN A 73 14.939 -14.896 -9.362 1.00 0.00 C ATOM 1066 C GLN A 73 14.473 -15.402 -8.001 1.00 0.00 C ATOM 1067 O GLN A 73 14.893 -16.465 -7.546 1.00 0.00 O ATOM 1068 CB GLN A 73 15.312 -13.415 -9.267 1.00 0.00 C ATOM 1069 CG GLN A 73 14.185 -12.477 -9.667 1.00 0.00 C ATOM 1070 CD GLN A 73 14.188 -12.160 -11.150 1.00 0.00 C ATOM 1071 OE1 GLN A 73 14.593 -12.983 -11.972 1.00 0.00 O ATOM 1072 NE2 GLN A 73 13.734 -10.962 -11.500 1.00 0.00 N ATOM 0 H GLN A 73 13.408 -14.245 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 73 15.818 -15.468 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.615 -13.190 -8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.175 -13.225 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.230 -12.927 -9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.271 -11.550 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.408 -10.311 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.711 -10.693 -12.484 1.00 0.00 H new ATOM 1081 N GLY A 74 13.600 -14.634 -7.356 1.00 0.00 N ATOM 1082 CA GLY A 74 13.091 -15.022 -6.053 1.00 0.00 C ATOM 1083 C GLY A 74 13.033 -13.858 -5.084 1.00 0.00 C ATOM 1084 O GLY A 74 12.438 -13.963 -4.012 1.00 0.00 O ATOM 0 H GLY A 74 13.236 -13.750 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.093 -15.446 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.724 -15.806 -5.637 1.00 0.00 H new ATOM 1088 N GLY A 75 13.653 -12.744 -5.460 1.00 0.00 N ATOM 1089 CA GLY A 75 13.658 -11.572 -4.604 1.00 0.00 C ATOM 1090 C GLY A 75 13.264 -10.310 -5.346 1.00 0.00 C ATOM 1091 O GLY A 75 14.012 -9.819 -6.193 1.00 0.00 O ATOM 0 H GLY A 75 14.152 -12.632 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.971 -11.730 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.652 -11.443 -4.176 1.00 0.00 H new ATOM 1095 N LEU A 76 12.086 -9.784 -5.030 1.00 0.00 N ATOM 1096 CA LEU A 76 11.591 -8.572 -5.674 1.00 0.00 C ATOM 1097 C LEU A 76 11.318 -7.481 -4.644 1.00 0.00 C ATOM 1098 O LEU A 76 10.808 -7.753 -3.557 1.00 0.00 O ATOM 1099 CB LEU A 76 10.317 -8.874 -6.465 1.00 0.00 C ATOM 1100 CG LEU A 76 10.035 -7.959 -7.657 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.032 -8.218 -8.776 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.610 -8.156 -8.154 1.00 0.00 C ATOM 0 H LEU A 76 11.455 -10.178 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 76 12.360 -8.215 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.372 -9.901 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.468 -8.821 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 76 10.146 -6.925 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.816 -7.558 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.042 -8.027 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.953 -9.256 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.426 -7.497 -9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.472 -9.192 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.909 -7.920 -7.353 1.00 0.00 H new ATOM 1114 N ARG A 77 11.658 -6.245 -4.994 1.00 0.00 N ATOM 1115 CA ARG A 77 11.448 -5.112 -4.101 1.00 0.00 C ATOM 1116 C ARG A 77 10.588 -4.044 -4.770 1.00 0.00 C ATOM 1117 O ARG A 77 10.265 -4.144 -5.954 1.00 0.00 O ATOM 1118 CB ARG A 77 12.790 -4.511 -3.680 1.00 0.00 C ATOM 1119 CG ARG A 77 13.744 -4.278 -4.840 1.00 0.00 C ATOM 1120 CD ARG A 77 14.943 -3.444 -4.417 1.00 0.00 C ATOM 1121 NE ARG A 77 14.542 -2.198 -3.769 1.00 0.00 N ATOM 1122 CZ ARG A 77 15.402 -1.330 -3.250 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.705 -1.570 -3.303 1.00 0.00 N ATOM 1124 NH2 ARG A 77 14.960 -0.218 -2.677 1.00 0.00 N ATOM 0 H ARG A 77 12.080 -6.003 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 77 10.925 -5.473 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.611 -3.563 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.265 -5.175 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.086 -5.237 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.217 -3.774 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.565 -4.023 -3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.554 -3.218 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 77 13.547 -1.983 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.049 -2.423 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.363 -0.901 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.958 -0.029 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.622 0.448 -2.279 1.00 0.00 H new ATOM 1138 N LEU A 78 10.219 -3.023 -4.003 1.00 0.00 N ATOM 1139 CA LEU A 78 9.396 -1.936 -4.521 1.00 0.00 C ATOM 1140 C LEU A 78 10.042 -1.300 -5.748 1.00 0.00 C ATOM 1141 O LEU A 78 9.408 -1.160 -6.793 1.00 0.00 O ATOM 1142 CB LEU A 78 9.176 -0.877 -3.440 1.00 0.00 C ATOM 1143 CG LEU A 78 8.314 0.321 -3.839 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.876 -0.111 -4.076 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.379 1.404 -2.772 1.00 0.00 C ATOM 0 H LEU A 78 10.477 -2.926 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 78 8.432 -2.352 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.717 -1.358 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.150 -0.507 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 78 8.706 0.732 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.278 0.755 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.845 -0.850 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.472 -0.548 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.760 2.249 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.014 1.005 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.411 1.735 -2.652 1.00 0.00 H new ATOM 1157 N ALA A 79 11.308 -0.919 -5.613 1.00 0.00 N ATOM 1158 CA ALA A 79 12.041 -0.302 -6.711 1.00 0.00 C ATOM 1159 C ALA A 79 11.737 -0.998 -8.033 1.00 0.00 C ATOM 1160 O ALA A 79 11.539 -0.345 -9.057 1.00 0.00 O ATOM 1161 CB ALA A 79 13.536 -0.330 -6.429 1.00 0.00 C ATOM 0 H ALA A 79 11.847 -1.027 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 79 11.717 0.736 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.071 0.134 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.743 0.219 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.866 -1.363 -6.317 1.00 0.00 H new ATOM 1167 N GLN A 80 11.704 -2.326 -8.004 1.00 0.00 N ATOM 1168 CA GLN A 80 11.425 -3.110 -9.201 1.00 0.00 C ATOM 1169 C GLN A 80 9.930 -3.372 -9.345 1.00 0.00 C ATOM 1170 O GLN A 80 9.434 -3.607 -10.447 1.00 0.00 O ATOM 1171 CB GLN A 80 12.185 -4.437 -9.156 1.00 0.00 C ATOM 1172 CG GLN A 80 13.588 -4.316 -8.585 1.00 0.00 C ATOM 1173 CD GLN A 80 14.527 -5.383 -9.112 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.118 -6.273 -9.858 1.00 0.00 O ATOM 1175 NE2 GLN A 80 15.795 -5.298 -8.727 1.00 0.00 N ATOM 0 H GLN A 80 11.867 -2.882 -7.164 1.00 0.00 H new ATOM 0 HA GLN A 80 11.759 -2.537 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.618 -5.150 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.246 -4.845 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.991 -3.332 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.541 -4.384 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 80 16.090 -4.543 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.474 -5.987 -9.051 1.00 0.00 H new ATOM 1184 N ALA A 81 9.216 -3.329 -8.225 1.00 0.00 N ATOM 1185 CA ALA A 81 7.777 -3.560 -8.227 1.00 0.00 C ATOM 1186 C ALA A 81 7.040 -2.426 -8.932 1.00 0.00 C ATOM 1187 O ALA A 81 5.980 -2.634 -9.522 1.00 0.00 O ATOM 1188 CB ALA A 81 7.266 -3.718 -6.802 1.00 0.00 C ATOM 0 H ALA A 81 9.611 -3.136 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 81 7.583 -4.481 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.190 -3.890 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.762 -4.566 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.480 -2.811 -6.236 1.00 0.00 H new ATOM 1194 N ARG A 82 7.608 -1.226 -8.866 1.00 0.00 N ATOM 1195 CA ARG A 82 7.004 -0.059 -9.497 1.00 0.00 C ATOM 1196 C ARG A 82 7.486 0.092 -10.937 1.00 0.00 C ATOM 1197 O ARG A 82 6.979 0.925 -11.687 1.00 0.00 O ATOM 1198 CB ARG A 82 7.334 1.206 -8.702 1.00 0.00 C ATOM 1199 CG ARG A 82 8.650 1.851 -9.104 1.00 0.00 C ATOM 1200 CD ARG A 82 9.194 2.742 -7.998 1.00 0.00 C ATOM 1201 NE ARG A 82 10.646 2.886 -8.075 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.313 3.901 -7.540 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.664 4.858 -6.891 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.634 3.962 -7.652 1.00 0.00 N ATOM 0 H ARG A 82 8.486 -1.037 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 82 5.923 -0.202 -9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.529 1.929 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.369 0.959 -7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.379 1.076 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.506 2.440 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.728 3.725 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.922 2.324 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 82 11.176 2.167 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.649 4.816 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.180 5.637 -6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.138 3.228 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.145 4.743 -7.240 1.00 0.00 H new ATOM 1218 N ALA A 83 8.469 -0.719 -11.314 1.00 0.00 N ATOM 1219 CA ALA A 83 9.019 -0.676 -12.663 1.00 0.00 C ATOM 1220 C ALA A 83 8.182 -1.514 -13.624 1.00 0.00 C ATOM 1221 O ALA A 83 7.824 -1.058 -14.711 1.00 0.00 O ATOM 1222 CB ALA A 83 10.462 -1.158 -12.660 1.00 0.00 C ATOM 0 H ALA A 83 8.901 -1.413 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 83 8.993 0.358 -13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.860 -1.121 -13.674 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.059 -0.516 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.502 -2.183 -12.292 1.00 0.00 H new ATOM 1228 N LEU A 84 7.872 -2.740 -13.217 1.00 0.00 N ATOM 1229 CA LEU A 84 7.076 -3.642 -14.042 1.00 0.00 C ATOM 1230 C LEU A 84 5.668 -3.092 -14.248 1.00 0.00 C ATOM 1231 O LEU A 84 4.985 -3.453 -15.206 1.00 0.00 O ATOM 1232 CB LEU A 84 7.006 -5.027 -13.397 1.00 0.00 C ATOM 1233 CG LEU A 84 8.293 -5.852 -13.437 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.373 -6.773 -12.229 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.373 -6.653 -14.728 1.00 0.00 C ATOM 0 H LEU A 84 8.160 -3.132 -12.321 1.00 0.00 H new ATOM 0 HA LEU A 84 7.559 -3.726 -15.015 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.708 -4.906 -12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.218 -5.596 -13.890 1.00 0.00 H new ATOM 0 HG LEU A 84 9.142 -5.169 -13.404 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.295 -7.353 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.363 -6.177 -11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.519 -7.450 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.295 -7.234 -14.739 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.519 -7.327 -14.792 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.362 -5.973 -15.580 1.00 0.00 H new ATOM 1247 N ILE A 85 5.243 -2.216 -13.344 1.00 0.00 N ATOM 1248 CA ILE A 85 3.918 -1.614 -13.429 1.00 0.00 C ATOM 1249 C ILE A 85 4.000 -0.172 -13.919 1.00 0.00 C ATOM 1250 O ILE A 85 3.076 0.332 -14.558 1.00 0.00 O ATOM 1251 CB ILE A 85 3.199 -1.642 -12.068 1.00 0.00 C ATOM 1252 CG1 ILE A 85 4.045 -0.939 -11.005 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.904 -3.076 -11.655 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.513 -1.110 -9.599 1.00 0.00 C ATOM 0 H ILE A 85 5.796 -1.907 -12.545 1.00 0.00 H new ATOM 0 HA ILE A 85 3.347 -2.206 -14.144 1.00 0.00 H new ATOM 0 HB ILE A 85 2.253 -1.109 -12.162 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.063 -1.325 -11.049 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.097 0.124 -11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.396 -3.080 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.266 -3.546 -12.403 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.839 -3.631 -11.574 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.162 -0.585 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.506 -0.698 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.487 -2.170 -9.346 1.00 0.00 H new ATOM 1266 N LYS A 86 5.112 0.488 -13.615 1.00 0.00 N ATOM 1267 CA LYS A 86 5.318 1.872 -14.026 1.00 0.00 C ATOM 1268 C LYS A 86 4.171 2.757 -13.550 1.00 0.00 C ATOM 1269 O LYS A 86 3.639 3.563 -14.313 1.00 0.00 O ATOM 1270 CB LYS A 86 5.446 1.960 -15.548 1.00 0.00 C ATOM 1271 CG LYS A 86 6.873 1.811 -16.048 1.00 0.00 C ATOM 1272 CD LYS A 86 7.612 3.139 -16.028 1.00 0.00 C ATOM 1273 CE LYS A 86 8.691 3.192 -17.098 1.00 0.00 C ATOM 1274 NZ LYS A 86 8.121 3.453 -18.449 1.00 0.00 N ATOM 0 H LYS A 86 5.885 0.087 -13.085 1.00 0.00 H new ATOM 0 HA LYS A 86 6.242 2.227 -13.569 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.828 1.185 -16.002 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.051 2.919 -15.883 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.404 1.089 -15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.864 1.414 -17.063 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.904 3.953 -16.183 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.063 3.291 -15.047 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.410 3.973 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.237 2.249 -17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.889 3.482 -19.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.454 2.695 -18.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.622 4.365 -18.445 1.00 0.00 H new ATOM 1288 N ILE A 87 3.796 2.602 -12.284 1.00 0.00 N ATOM 1289 CA ILE A 87 2.714 3.389 -11.707 1.00 0.00 C ATOM 1290 C ILE A 87 3.170 4.105 -10.440 1.00 0.00 C ATOM 1291 O ILE A 87 4.245 3.824 -9.909 1.00 0.00 O ATOM 1292 CB ILE A 87 1.493 2.511 -11.376 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.824 1.550 -10.232 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.044 1.741 -12.609 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.628 1.195 -9.376 1.00 0.00 C ATOM 0 H ILE A 87 4.226 1.939 -11.639 1.00 0.00 H new ATOM 0 HA ILE A 87 2.427 4.127 -12.456 1.00 0.00 H new ATOM 0 HB ILE A 87 0.675 3.157 -11.058 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.248 0.636 -10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.591 1.999 -9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.180 1.125 -12.359 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.773 2.443 -13.398 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.857 1.103 -12.955 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.937 0.511 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.217 2.101 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.132 0.717 -9.994 1.00 0.00 H new ATOM 1307 N ASP A 88 2.345 5.028 -9.959 1.00 0.00 N ATOM 1308 CA ASP A 88 2.662 5.783 -8.752 1.00 0.00 C ATOM 1309 C ASP A 88 3.119 4.851 -7.633 1.00 0.00 C ATOM 1310 O ASP A 88 2.331 4.067 -7.104 1.00 0.00 O ATOM 1311 CB ASP A 88 1.446 6.590 -8.295 1.00 0.00 C ATOM 1312 CG ASP A 88 1.835 7.870 -7.582 1.00 0.00 C ATOM 1313 OD1 ASP A 88 2.992 7.965 -7.122 1.00 0.00 O ATOM 1314 OD2 ASP A 88 0.983 8.777 -7.486 1.00 0.00 O ATOM 0 H ASP A 88 1.451 5.272 -10.386 1.00 0.00 H new ATOM 0 HA ASP A 88 3.476 6.469 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.829 6.833 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.837 5.978 -7.630 1.00 0.00 H new ATOM 1319 N VAL A 89 4.396 4.942 -7.279 1.00 0.00 N ATOM 1320 CA VAL A 89 4.959 4.108 -6.224 1.00 0.00 C ATOM 1321 C VAL A 89 4.119 4.188 -4.954 1.00 0.00 C ATOM 1322 O VAL A 89 3.889 3.181 -4.285 1.00 0.00 O ATOM 1323 CB VAL A 89 6.407 4.517 -5.895 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.459 5.963 -5.425 1.00 0.00 C ATOM 1325 CG2 VAL A 89 6.999 3.586 -4.849 1.00 0.00 C ATOM 0 H VAL A 89 5.061 5.586 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 89 4.955 3.083 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 89 7.005 4.433 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.490 6.235 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.077 6.615 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.847 6.077 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.022 3.890 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.402 3.635 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.998 2.564 -5.229 1.00 0.00 H new ATOM 1335 N ASN A 90 3.663 5.393 -4.627 1.00 0.00 N ATOM 1336 CA ASN A 90 2.848 5.606 -3.437 1.00 0.00 C ATOM 1337 C ASN A 90 1.638 4.677 -3.433 1.00 0.00 C ATOM 1338 O ASN A 90 0.979 4.501 -2.408 1.00 0.00 O ATOM 1339 CB ASN A 90 2.387 7.063 -3.362 1.00 0.00 C ATOM 1340 CG ASN A 90 1.699 7.517 -4.635 1.00 0.00 C ATOM 1341 OD1 ASN A 90 1.161 6.704 -5.387 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.714 8.822 -4.881 1.00 0.00 N ATOM 0 H ASN A 90 3.844 6.237 -5.170 1.00 0.00 H new ATOM 0 HA ASN A 90 3.460 5.381 -2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.704 7.183 -2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.247 7.704 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.267 9.188 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.172 9.459 -4.229 1.00 0.00 H new ATOM 1349 N LYS A 91 1.351 4.084 -4.587 1.00 0.00 N ATOM 1350 CA LYS A 91 0.222 3.171 -4.718 1.00 0.00 C ATOM 1351 C LYS A 91 0.672 1.722 -4.561 1.00 0.00 C ATOM 1352 O LYS A 91 0.352 1.065 -3.570 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.458 3.360 -6.076 1.00 0.00 C ATOM 1354 CG LYS A 91 -1.191 4.683 -6.210 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.994 4.748 -7.498 1.00 0.00 C ATOM 1356 CE LYS A 91 -3.311 3.997 -7.373 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.236 4.307 -8.498 1.00 0.00 N ATOM 0 H LYS A 91 1.885 4.220 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.491 3.399 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.294 3.289 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.164 2.545 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.857 4.819 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.472 5.502 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.191 5.789 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.409 4.325 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.117 2.925 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.789 4.257 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.157 3.857 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.362 5.337 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.836 3.944 -9.387 1.00 0.00 H new ATOM 1371 N THR A 92 1.419 1.229 -5.544 1.00 0.00 N ATOM 1372 CA THR A 92 1.913 -0.142 -5.515 1.00 0.00 C ATOM 1373 C THR A 92 2.512 -0.481 -4.155 1.00 0.00 C ATOM 1374 O THR A 92 2.429 -1.620 -3.696 1.00 0.00 O ATOM 1375 CB THR A 92 2.976 -0.379 -6.604 1.00 0.00 C ATOM 1376 OG1 THR A 92 3.609 -1.648 -6.404 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.024 0.724 -6.588 1.00 0.00 C ATOM 0 H THR A 92 1.695 1.759 -6.370 1.00 0.00 H new ATOM 0 HA THR A 92 1.058 -0.790 -5.705 1.00 0.00 H new ATOM 0 HB THR A 92 2.478 -0.371 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.385 -1.724 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.764 0.534 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.543 1.685 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.517 0.744 -5.616 1.00 0.00 H new ATOM 1385 N ARG A 93 3.115 0.515 -3.514 1.00 0.00 N ATOM 1386 CA ARG A 93 3.729 0.321 -2.205 1.00 0.00 C ATOM 1387 C ARG A 93 2.807 -0.473 -1.285 1.00 0.00 C ATOM 1388 O ARG A 93 3.257 -1.335 -0.530 1.00 0.00 O ATOM 1389 CB ARG A 93 4.061 1.672 -1.569 1.00 0.00 C ATOM 1390 CG ARG A 93 5.465 2.164 -1.883 1.00 0.00 C ATOM 1391 CD ARG A 93 5.991 3.081 -0.790 1.00 0.00 C ATOM 1392 NE ARG A 93 5.074 4.184 -0.513 1.00 0.00 N ATOM 1393 CZ ARG A 93 5.068 4.866 0.627 1.00 0.00 C ATOM 1394 NH1 ARG A 93 5.926 4.560 1.590 1.00 0.00 N ATOM 1395 NH2 ARG A 93 4.204 5.857 0.804 1.00 0.00 N ATOM 0 H ARG A 93 3.192 1.464 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 93 4.651 -0.244 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.340 2.413 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.946 1.593 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.134 1.311 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.461 2.695 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.151 2.505 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.960 3.481 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 93 4.402 4.445 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.593 3.800 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.920 5.085 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.543 6.096 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.200 6.380 1.680 1.00 0.00 H new ATOM 1409 N LYS A 94 1.513 -0.177 -1.352 1.00 0.00 N ATOM 1410 CA LYS A 94 0.526 -0.862 -0.527 1.00 0.00 C ATOM 1411 C LYS A 94 0.257 -2.268 -1.055 1.00 0.00 C ATOM 1412 O LYS A 94 -0.032 -3.185 -0.285 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.778 -0.063 -0.485 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.579 1.434 -0.642 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.650 2.219 0.097 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.227 2.532 1.524 1.00 0.00 C ATOM 1417 NZ LYS A 94 -0.505 3.831 1.616 1.00 0.00 N ATOM 0 H LYS A 94 1.123 0.534 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 94 0.927 -0.943 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.438 -0.418 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.283 -0.257 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.404 1.713 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.599 1.696 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.854 3.148 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.578 1.648 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.107 2.560 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.586 1.733 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.234 4.008 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.349 3.796 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.125 4.597 1.285 1.00 0.00 H new ATOM 1431 N ILE A 95 0.357 -2.430 -2.370 1.00 0.00 N ATOM 1432 CA ILE A 95 0.127 -3.725 -2.999 1.00 0.00 C ATOM 1433 C ILE A 95 1.280 -4.683 -2.722 1.00 0.00 C ATOM 1434 O ILE A 95 1.108 -5.701 -2.050 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.057 -3.586 -4.522 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.104 -2.515 -4.836 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.458 -4.921 -5.131 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.053 -2.022 -6.265 1.00 0.00 C ATOM 0 H ILE A 95 0.596 -1.681 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.789 -4.128 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 95 0.892 -3.279 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.096 -2.918 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.961 -1.670 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.584 -4.807 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.319 -5.659 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.397 -5.255 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.822 -1.265 -6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.073 -1.589 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.227 -2.857 -6.944 1.00 0.00 H new ATOM 1450 N TYR A 96 2.456 -4.350 -3.242 1.00 0.00 N ATOM 1451 CA TYR A 96 3.639 -5.182 -3.052 1.00 0.00 C ATOM 1452 C TYR A 96 3.679 -5.756 -1.640 1.00 0.00 C ATOM 1453 O TYR A 96 3.789 -6.968 -1.453 1.00 0.00 O ATOM 1454 CB TYR A 96 4.907 -4.370 -3.321 1.00 0.00 C ATOM 1455 CG TYR A 96 6.170 -5.039 -2.828 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.654 -6.189 -3.438 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.879 -4.520 -1.751 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.807 -6.804 -2.990 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.034 -5.127 -1.298 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.494 -6.269 -1.920 1.00 0.00 C ATOM 1461 OH TYR A 96 9.644 -6.878 -1.471 1.00 0.00 O ATOM 0 H TYR A 96 2.616 -3.510 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 96 3.588 -6.009 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.994 -4.193 -4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.812 -3.395 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.120 -6.610 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.521 -3.627 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.169 -7.699 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.574 -4.710 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 96 9.944 -7.538 -2.131 1.00 0.00 H new ATOM 1471 N ASP A 97 3.588 -4.877 -0.648 1.00 0.00 N ATOM 1472 CA ASP A 97 3.613 -5.296 0.749 1.00 0.00 C ATOM 1473 C ASP A 97 2.602 -6.410 1.000 1.00 0.00 C ATOM 1474 O ASP A 97 2.913 -7.410 1.648 1.00 0.00 O ATOM 1475 CB ASP A 97 3.317 -4.107 1.665 1.00 0.00 C ATOM 1476 CG ASP A 97 4.568 -3.328 2.023 1.00 0.00 C ATOM 1477 OD1 ASP A 97 5.443 -3.895 2.709 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.670 -2.151 1.618 1.00 0.00 O ATOM 0 H ASP A 97 3.496 -3.870 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 97 4.610 -5.677 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.606 -3.442 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.841 -4.465 2.578 1.00 0.00 H new ATOM 1483 N PHE A 98 1.390 -6.231 0.485 1.00 0.00 N ATOM 1484 CA PHE A 98 0.332 -7.220 0.655 1.00 0.00 C ATOM 1485 C PHE A 98 0.724 -8.550 0.018 1.00 0.00 C ATOM 1486 O PHE A 98 0.555 -9.613 0.617 1.00 0.00 O ATOM 1487 CB PHE A 98 -0.973 -6.712 0.040 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.101 -7.701 0.127 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.725 -7.955 1.337 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.536 -8.376 -1.002 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.763 -8.863 1.421 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.574 -9.286 -0.924 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.188 -9.530 0.289 1.00 0.00 C ATOM 0 H PHE A 98 1.116 -5.409 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 98 0.185 -7.378 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.268 -5.791 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.799 -6.462 -1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.396 -7.437 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.059 -8.189 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.241 -9.051 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.905 -9.806 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.999 -10.241 0.352 1.00 0.00 H new ATOM 1503 N LEU A 99 1.249 -8.484 -1.201 1.00 0.00 N ATOM 1504 CA LEU A 99 1.665 -9.682 -1.921 1.00 0.00 C ATOM 1505 C LEU A 99 2.752 -10.429 -1.153 1.00 0.00 C ATOM 1506 O LEU A 99 2.929 -11.635 -1.325 1.00 0.00 O ATOM 1507 CB LEU A 99 2.173 -9.312 -3.316 1.00 0.00 C ATOM 1508 CG LEU A 99 1.102 -8.960 -4.348 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.730 -8.737 -5.715 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.046 -10.054 -4.416 1.00 0.00 C ATOM 0 H LEU A 99 1.397 -7.613 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 99 0.799 -10.337 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.850 -8.463 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.759 -10.146 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 99 0.617 -8.034 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.952 -8.487 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.447 -7.918 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.242 -9.645 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.708 -9.786 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.515 -10.996 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.426 -10.165 -3.440 1.00 0.00 H new ATOM 1522 N ILE A 100 3.474 -9.704 -0.305 1.00 0.00 N ATOM 1523 CA ILE A 100 4.540 -10.299 0.491 1.00 0.00 C ATOM 1524 C ILE A 100 3.973 -11.121 1.643 1.00 0.00 C ATOM 1525 O ILE A 100 4.206 -12.327 1.732 1.00 0.00 O ATOM 1526 CB ILE A 100 5.485 -9.224 1.059 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.333 -8.615 -0.061 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.375 -9.819 2.140 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.584 -9.408 -0.370 1.00 0.00 C ATOM 0 H ILE A 100 3.340 -8.705 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 100 5.104 -10.952 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 100 4.884 -8.432 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.728 -8.540 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.616 -7.600 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.037 -9.047 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.755 -10.209 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.971 -10.628 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.136 -8.919 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.210 -9.462 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.308 -10.416 -0.681 1.00 0.00 H new ATOM 1541 N ARG A 101 3.226 -10.461 2.522 1.00 0.00 N ATOM 1542 CA ARG A 101 2.624 -11.131 3.668 1.00 0.00 C ATOM 1543 C ARG A 101 1.680 -12.241 3.216 1.00 0.00 C ATOM 1544 O ARG A 101 1.531 -13.257 3.895 1.00 0.00 O ATOM 1545 CB ARG A 101 1.865 -10.123 4.534 1.00 0.00 C ATOM 1546 CG ARG A 101 0.626 -9.554 3.862 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.388 -9.067 4.885 1.00 0.00 C ATOM 1548 NE ARG A 101 -0.174 -7.668 5.244 1.00 0.00 N ATOM 1549 CZ ARG A 101 0.682 -7.272 6.180 1.00 0.00 C ATOM 1550 NH1 ARG A 101 1.401 -8.165 6.846 1.00 0.00 N ATOM 1551 NH2 ARG A 101 0.822 -5.980 6.450 1.00 0.00 N ATOM 0 H ARG A 101 3.023 -9.463 2.462 1.00 0.00 H new ATOM 0 HA ARG A 101 3.425 -11.577 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.573 -10.605 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.535 -9.304 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.911 -8.729 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.170 -10.317 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.394 -9.189 4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.325 -9.685 5.781 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.711 -6.956 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.298 -9.159 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.057 -7.858 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.272 -5.290 5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.479 -5.678 7.169 1.00 0.00 H new ATOM 1565 N GLU A 102 1.046 -12.039 2.065 1.00 0.00 N ATOM 1566 CA GLU A 102 0.115 -13.023 1.524 1.00 0.00 C ATOM 1567 C GLU A 102 0.845 -14.307 1.140 1.00 0.00 C ATOM 1568 O GLU A 102 0.235 -15.370 1.024 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.612 -12.453 0.304 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.860 -11.660 0.656 1.00 0.00 C ATOM 1571 CD GLU A 102 -3.017 -12.547 1.071 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.027 -13.005 2.232 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.913 -12.782 0.234 1.00 0.00 O ATOM 0 H GLU A 102 1.160 -11.204 1.490 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.617 -13.258 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.073 -11.810 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.887 -13.272 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.630 -10.967 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.158 -11.059 -0.203 1.00 0.00 H new ATOM 1580 N GLY A 103 2.155 -14.201 0.942 1.00 0.00 N ATOM 1581 CA GLY A 103 2.947 -15.360 0.573 1.00 0.00 C ATOM 1582 C GLY A 103 3.052 -15.535 -0.929 1.00 0.00 C ATOM 1583 O GLY A 103 3.233 -16.650 -1.420 1.00 0.00 O ATOM 0 H GLY A 103 2.683 -13.333 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.947 -15.262 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.502 -16.254 1.010 1.00 0.00 H new ATOM 1587 N TYR A 104 2.937 -14.433 -1.661 1.00 0.00 N ATOM 1588 CA TYR A 104 3.016 -14.470 -3.117 1.00 0.00 C ATOM 1589 C TYR A 104 4.434 -14.168 -3.593 1.00 0.00 C ATOM 1590 O TYR A 104 4.967 -14.855 -4.465 1.00 0.00 O ATOM 1591 CB TYR A 104 2.036 -13.466 -3.727 1.00 0.00 C ATOM 1592 CG TYR A 104 0.596 -13.923 -3.682 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.135 -14.918 -4.536 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.305 -13.359 -2.788 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.181 -15.338 -4.499 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.622 -13.773 -2.743 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.055 -14.763 -3.601 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.367 -15.177 -3.560 1.00 0.00 O ATOM 0 H TYR A 104 2.789 -13.503 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 104 2.748 -15.474 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.124 -12.517 -3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.317 -13.280 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.817 -15.371 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.030 -12.583 -2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.523 -16.112 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.309 -13.324 -2.040 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.848 -14.672 -2.871 1.00 0.00 H new ATOM 1608 N ILE A 105 5.038 -13.136 -3.014 1.00 0.00 N ATOM 1609 CA ILE A 105 6.394 -12.744 -3.377 1.00 0.00 C ATOM 1610 C ILE A 105 7.296 -12.680 -2.149 1.00 0.00 C ATOM 1611 O ILE A 105 6.844 -12.883 -1.021 1.00 0.00 O ATOM 1612 CB ILE A 105 6.414 -11.376 -4.086 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.554 -10.368 -3.320 1.00 0.00 C ATOM 1614 CG2 ILE A 105 5.926 -11.516 -5.520 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.399 -9.042 -4.032 1.00 0.00 C ATOM 0 H ILE A 105 4.610 -12.557 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 105 6.769 -13.505 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 105 7.440 -11.008 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.567 -10.799 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.998 -10.195 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.946 -10.541 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.575 -12.205 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.907 -11.902 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.778 -8.377 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.380 -8.590 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.927 -9.203 -5.001 1.00 0.00 H new ATOM 1627 N THR A 106 8.574 -12.395 -2.374 1.00 0.00 N ATOM 1628 CA THR A 106 9.540 -12.303 -1.286 1.00 0.00 C ATOM 1629 C THR A 106 10.145 -10.906 -1.204 1.00 0.00 C ATOM 1630 O THR A 106 10.043 -10.118 -2.144 1.00 0.00 O ATOM 1631 CB THR A 106 10.674 -13.332 -1.454 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.124 -14.628 -1.719 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.541 -13.390 -0.205 1.00 0.00 C ATOM 0 H THR A 106 8.965 -12.224 -3.300 1.00 0.00 H new ATOM 0 HA THR A 106 8.999 -12.516 -0.364 1.00 0.00 H new ATOM 0 HB THR A 106 11.295 -13.022 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.851 -15.276 -1.826 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.335 -14.123 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.981 -12.410 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.929 -13.679 0.650 1.00 0.00 H new ATOM 1641 N LYS A 107 10.776 -10.606 -0.074 1.00 0.00 N ATOM 1642 CA LYS A 107 11.401 -9.304 0.131 1.00 0.00 C ATOM 1643 C LYS A 107 12.839 -9.304 -0.377 1.00 0.00 C ATOM 1644 O LYS A 107 13.629 -10.182 -0.030 1.00 0.00 O ATOM 1645 CB LYS A 107 11.372 -8.930 1.614 1.00 0.00 C ATOM 1646 CG LYS A 107 11.312 -7.432 1.863 1.00 0.00 C ATOM 1647 CD LYS A 107 9.883 -6.919 1.833 1.00 0.00 C ATOM 1648 CE LYS A 107 9.726 -5.656 2.666 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.590 -4.551 2.166 1.00 0.00 N ATOM 0 H LYS A 107 10.868 -11.247 0.714 1.00 0.00 H new ATOM 0 HA LYS A 107 10.835 -8.564 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.509 -9.403 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.260 -9.335 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.761 -7.205 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.902 -6.913 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.590 -6.715 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.211 -7.690 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.684 -5.338 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.977 -5.872 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.380 -3.680 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.590 -4.805 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.404 -4.395 1.155 1.00 0.00 H new ATOM 1663 N ALA A 108 13.173 -8.314 -1.198 1.00 0.00 N ATOM 1664 CA ALA A 108 14.517 -8.199 -1.750 1.00 0.00 C ATOM 1665 C ALA A 108 15.356 -7.211 -0.948 1.00 0.00 C ATOM 1666 O ALA A 108 16.547 -7.432 -0.723 1.00 0.00 O ATOM 1667 CB ALA A 108 14.454 -7.778 -3.211 1.00 0.00 C ATOM 0 H ALA A 108 12.531 -7.580 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 108 14.994 -9.177 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.465 -7.696 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.898 -8.523 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.953 -6.813 -3.290 1.00 0.00 H new