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 Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 108:sc= 1.31 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0997 K(o=-0.1,f=-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 80:sc= -1.42 USER MOD Single : A 50 GLN : amide:sc=-0.00586 K(o=-0.0059,f=-3!) USER MOD Single : A 59 TYR OH : rot 42:sc= 0.339 USER MOD Single : A 62 TYR OH : rot 180:sc= -1.03! USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.286 (180deg=-0.998) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 70 CYS SG : rot -13:sc= -2.46! USER MOD Single : A 71 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-0.93) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0.00385 (180deg=0.000899) USER MOD Single : A 73 GLN : amide:sc= -0.231 K(o=-0.23,f=-2) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= 1.25 (180deg=-0.0081) USER MOD Single : A 90 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.23!) USER MOD Single : A 91 LYS NZ :NH3+ 146:sc= 0.616 (180deg=-0.00439) USER MOD Single : A 92 THR OG1 : rot -170:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -124:sc= -3.11! (180deg=-8.14!) USER MOD Single : A 96 TYR OH : rot 21:sc= -0.739 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -13.464 6.232 -1.011 1.00 0.00 N ATOM 359 CA PRO A 29 -12.849 5.058 -1.636 1.00 0.00 C ATOM 360 C PRO A 29 -13.267 4.890 -3.093 1.00 0.00 C ATOM 361 O PRO A 29 -14.210 5.533 -3.557 1.00 0.00 O ATOM 362 CB PRO A 29 -13.370 3.892 -0.792 1.00 0.00 C ATOM 363 CG PRO A 29 -14.653 4.384 -0.218 1.00 0.00 C ATOM 364 CD PRO A 29 -14.470 5.861 -0.001 1.00 0.00 C ATOM 0 HA PRO A 29 -11.762 5.132 -1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.524 3.001 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.662 3.624 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.484 4.189 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.881 3.877 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.403 6.407 -0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.124 6.079 1.009 1.00 0.00 H new ATOM 372 N LEU A 30 -12.562 4.023 -3.810 1.00 0.00 N ATOM 373 CA LEU A 30 -12.861 3.770 -5.215 1.00 0.00 C ATOM 374 C LEU A 30 -14.149 2.965 -5.362 1.00 0.00 C ATOM 375 O LEU A 30 -14.326 1.935 -4.713 1.00 0.00 O ATOM 376 CB LEU A 30 -11.702 3.023 -5.878 1.00 0.00 C ATOM 377 CG LEU A 30 -11.498 3.288 -7.370 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.193 2.671 -7.848 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.672 2.746 -8.173 1.00 0.00 C ATOM 0 H LEU A 30 -11.779 3.483 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.996 4.732 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.782 3.283 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.858 1.953 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.444 4.366 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.065 2.870 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.361 3.106 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.217 1.594 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.510 2.943 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.757 1.671 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.591 3.235 -7.849 1.00 0.00 H new ATOM 391 N ASN A 31 -15.045 3.443 -6.220 1.00 0.00 N ATOM 392 CA ASN A 31 -16.316 2.767 -6.453 1.00 0.00 C ATOM 393 C ASN A 31 -16.111 1.485 -7.256 1.00 0.00 C ATOM 394 O ASN A 31 -16.137 1.500 -8.487 1.00 0.00 O ATOM 395 CB ASN A 31 -17.283 3.695 -7.191 1.00 0.00 C ATOM 396 CG ASN A 31 -17.584 4.957 -6.406 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.531 4.965 -5.176 1.00 0.00 O ATOM 398 ND2 ASN A 31 -17.902 6.033 -7.117 1.00 0.00 N ATOM 0 H ASN A 31 -14.914 4.295 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.742 2.504 -5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.858 3.964 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.213 3.163 -7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.115 6.912 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.934 5.980 -8.135 1.00 0.00 H new ATOM 405 N LEU A 32 -15.910 0.378 -6.551 1.00 0.00 N ATOM 406 CA LEU A 32 -15.702 -0.913 -7.197 1.00 0.00 C ATOM 407 C LEU A 32 -16.964 -1.369 -7.921 1.00 0.00 C ATOM 408 O LEU A 32 -16.917 -1.759 -9.088 1.00 0.00 O ATOM 409 CB LEU A 32 -15.286 -1.962 -6.163 1.00 0.00 C ATOM 410 CG LEU A 32 -14.195 -1.538 -5.179 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.004 -2.598 -4.105 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.887 -1.279 -5.912 1.00 0.00 C ATOM 0 H LEU A 32 -15.887 0.348 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.905 -0.800 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.169 -2.252 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.944 -2.850 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.508 -0.612 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.224 -2.279 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.938 -2.736 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.713 -3.540 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.122 -0.978 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.569 -2.189 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.031 -0.484 -6.644 1.00 0.00 H new ATOM 424 N THR A 33 -18.093 -1.316 -7.222 1.00 0.00 N ATOM 425 CA THR A 33 -19.369 -1.723 -7.798 1.00 0.00 C ATOM 426 C THR A 33 -19.465 -1.315 -9.264 1.00 0.00 C ATOM 427 O THR A 33 -19.689 -0.147 -9.580 1.00 0.00 O ATOM 428 CB THR A 33 -20.554 -1.110 -7.028 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.785 -1.438 -7.681 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.412 0.401 -6.930 1.00 0.00 C ATOM 0 H THR A 33 -18.150 -0.995 -6.255 1.00 0.00 H new ATOM 0 HA THR A 33 -19.418 -2.809 -7.722 1.00 0.00 H new ATOM 0 HB THR A 33 -20.557 -1.524 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.533 -1.046 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.260 0.811 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.488 0.646 -6.406 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.385 0.830 -7.932 1.00 0.00 H new ATOM 438 N GLY A 34 -19.295 -2.286 -10.156 1.00 0.00 N ATOM 439 CA GLY A 34 -19.367 -2.007 -11.578 1.00 0.00 C ATOM 440 C GLY A 34 -18.054 -2.271 -12.288 1.00 0.00 C ATOM 441 O GLY A 34 -18.016 -2.972 -13.300 1.00 0.00 O ATOM 0 H GLY A 34 -19.109 -3.260 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.149 -2.620 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.654 -0.966 -11.727 1.00 0.00 H new ATOM 445 N LEU A 35 -16.974 -1.706 -11.759 1.00 0.00 N ATOM 446 CA LEU A 35 -15.651 -1.883 -12.349 1.00 0.00 C ATOM 447 C LEU A 35 -15.368 -3.357 -12.621 1.00 0.00 C ATOM 448 O LEU A 35 -15.752 -4.239 -11.853 1.00 0.00 O ATOM 449 CB LEU A 35 -14.577 -1.307 -11.424 1.00 0.00 C ATOM 450 CG LEU A 35 -14.364 0.205 -11.502 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.445 0.672 -10.384 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.797 0.594 -12.859 1.00 0.00 C ATOM 0 H LEU A 35 -16.988 -1.122 -10.923 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.629 -1.348 -13.298 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.834 -1.565 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.631 -1.799 -11.649 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.329 0.696 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.305 1.751 -10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.891 0.427 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.480 0.174 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.652 1.674 -12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.841 0.094 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.492 0.294 -13.643 1.00 0.00 H new ATOM 464 N PRO A 36 -14.679 -3.631 -13.738 1.00 0.00 N ATOM 465 CA PRO A 36 -14.326 -4.997 -14.135 1.00 0.00 C ATOM 466 C PRO A 36 -13.276 -5.615 -13.219 1.00 0.00 C ATOM 467 O PRO A 36 -12.327 -4.948 -12.809 1.00 0.00 O ATOM 468 CB PRO A 36 -13.766 -4.822 -15.549 1.00 0.00 C ATOM 469 CG PRO A 36 -13.270 -3.418 -15.589 1.00 0.00 C ATOM 470 CD PRO A 36 -14.190 -2.628 -14.699 1.00 0.00 C ATOM 0 HA PRO A 36 -15.181 -5.671 -14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.963 -5.531 -15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.535 -4.992 -16.303 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.240 -3.358 -15.237 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.282 -3.029 -16.607 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.665 -1.815 -14.199 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.008 -2.180 -15.263 1.00 0.00 H new ATOM 478 N GLY A 37 -13.453 -6.894 -12.901 1.00 0.00 N ATOM 479 CA GLY A 37 -12.512 -7.580 -12.035 1.00 0.00 C ATOM 480 C GLY A 37 -13.059 -7.793 -10.638 1.00 0.00 C ATOM 481 O GLY A 37 -12.575 -8.650 -9.896 1.00 0.00 O ATOM 0 H GLY A 37 -14.231 -7.467 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.257 -8.545 -12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.589 -7.003 -11.976 1.00 0.00 H new ATOM 485 N THR A 38 -14.072 -7.012 -10.274 1.00 0.00 N ATOM 486 CA THR A 38 -14.684 -7.117 -8.956 1.00 0.00 C ATOM 487 C THR A 38 -15.231 -8.520 -8.714 1.00 0.00 C ATOM 488 O THR A 38 -15.465 -8.916 -7.573 1.00 0.00 O ATOM 489 CB THR A 38 -15.824 -6.097 -8.783 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.448 -4.840 -9.355 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.164 -5.909 -7.312 1.00 0.00 C ATOM 0 H THR A 38 -14.486 -6.299 -10.875 1.00 0.00 H new ATOM 0 HA THR A 38 -13.902 -6.904 -8.227 1.00 0.00 H new ATOM 0 HB THR A 38 -16.705 -6.480 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.949 -4.695 -10.185 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.972 -5.184 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.479 -6.862 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.285 -5.546 -6.779 1.00 0.00 H new ATOM 499 N GLU A 39 -15.431 -9.266 -9.796 1.00 0.00 N ATOM 500 CA GLU A 39 -15.951 -10.625 -9.700 1.00 0.00 C ATOM 501 C GLU A 39 -14.813 -11.639 -9.629 1.00 0.00 C ATOM 502 O GLU A 39 -14.922 -12.667 -8.961 1.00 0.00 O ATOM 503 CB GLU A 39 -16.853 -10.936 -10.896 1.00 0.00 C ATOM 504 CG GLU A 39 -16.100 -11.470 -12.103 1.00 0.00 C ATOM 505 CD GLU A 39 -16.917 -11.400 -13.378 1.00 0.00 C ATOM 506 OE1 GLU A 39 -18.066 -11.890 -13.375 1.00 0.00 O ATOM 507 OE2 GLU A 39 -16.407 -10.855 -14.380 1.00 0.00 O ATOM 0 H GLU A 39 -15.241 -8.953 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.537 -10.698 -8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.604 -11.666 -10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.387 -10.030 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.180 -10.900 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.811 -12.504 -11.918 1.00 0.00 H new ATOM 514 N LYS A 40 -13.721 -11.343 -10.325 1.00 0.00 N ATOM 515 CA LYS A 40 -12.561 -12.227 -10.343 1.00 0.00 C ATOM 516 C LYS A 40 -11.953 -12.354 -8.950 1.00 0.00 C ATOM 517 O LYS A 40 -11.772 -13.461 -8.439 1.00 0.00 O ATOM 518 CB LYS A 40 -11.510 -11.703 -11.324 1.00 0.00 C ATOM 519 CG LYS A 40 -11.870 -11.931 -12.781 1.00 0.00 C ATOM 520 CD LYS A 40 -10.732 -11.535 -13.706 1.00 0.00 C ATOM 521 CE LYS A 40 -11.204 -11.401 -15.146 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.722 -10.035 -15.435 1.00 0.00 N ATOM 0 H LYS A 40 -13.615 -10.497 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.892 -13.214 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.369 -10.635 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.556 -12.187 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.117 -12.981 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.761 -11.354 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.304 -10.590 -13.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.940 -12.281 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.379 -11.627 -15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.986 -12.135 -15.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.034 -9.984 -16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.526 -9.829 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.969 -9.337 -15.273 1.00 0.00 H new ATOM 536 N LEU A 41 -11.641 -11.217 -8.339 1.00 0.00 N ATOM 537 CA LEU A 41 -11.054 -11.201 -7.004 1.00 0.00 C ATOM 538 C LEU A 41 -12.140 -11.195 -5.932 1.00 0.00 C ATOM 539 O LEU A 41 -13.330 -11.180 -6.241 1.00 0.00 O ATOM 540 CB LEU A 41 -10.150 -9.979 -6.836 1.00 0.00 C ATOM 541 CG LEU A 41 -10.704 -8.656 -7.366 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.041 -8.339 -6.714 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.712 -7.528 -7.127 1.00 0.00 C ATOM 0 H LEU A 41 -11.785 -10.293 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.457 -12.105 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.929 -9.858 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.204 -10.180 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.860 -8.754 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.421 -7.394 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.752 -9.135 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.910 -8.261 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.123 -6.594 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.524 -7.429 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.777 -7.751 -7.641 1.00 0.00 H new ATOM 555 N ASN A 42 -11.720 -11.204 -4.671 1.00 0.00 N ATOM 556 CA ASN A 42 -12.657 -11.198 -3.554 1.00 0.00 C ATOM 557 C ASN A 42 -12.475 -9.948 -2.699 1.00 0.00 C ATOM 558 O ASN A 42 -11.597 -9.126 -2.962 1.00 0.00 O ATOM 559 CB ASN A 42 -12.466 -12.449 -2.694 1.00 0.00 C ATOM 560 CG ASN A 42 -13.305 -13.616 -3.178 1.00 0.00 C ATOM 561 OD1 ASN A 42 -14.437 -13.437 -3.627 1.00 0.00 O ATOM 562 ND2 ASN A 42 -12.751 -14.820 -3.087 1.00 0.00 N ATOM 0 H ASN A 42 -10.737 -11.215 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.668 -11.195 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.414 -12.734 -2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.728 -12.220 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.267 -15.644 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.809 -14.921 -2.708 1.00 0.00 H new ATOM 569 N GLU A 43 -13.310 -9.812 -1.674 1.00 0.00 N ATOM 570 CA GLU A 43 -13.241 -8.661 -0.780 1.00 0.00 C ATOM 571 C GLU A 43 -11.799 -8.372 -0.376 1.00 0.00 C ATOM 572 O GLU A 43 -11.397 -7.215 -0.248 1.00 0.00 O ATOM 573 CB GLU A 43 -14.094 -8.904 0.467 1.00 0.00 C ATOM 574 CG GLU A 43 -13.872 -10.268 1.099 1.00 0.00 C ATOM 575 CD GLU A 43 -14.764 -11.339 0.503 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.862 -10.996 0.017 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.364 -12.522 0.523 1.00 0.00 O ATOM 0 H GLU A 43 -14.042 -10.484 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.631 -7.794 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.874 -8.131 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.147 -8.802 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.829 -10.557 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.057 -10.202 2.171 1.00 0.00 H new ATOM 584 N LYS A 44 -11.023 -9.432 -0.175 1.00 0.00 N ATOM 585 CA LYS A 44 -9.625 -9.295 0.215 1.00 0.00 C ATOM 586 C LYS A 44 -8.910 -8.281 -0.672 1.00 0.00 C ATOM 587 O LYS A 44 -8.360 -7.295 -0.182 1.00 0.00 O ATOM 588 CB LYS A 44 -8.916 -10.649 0.133 1.00 0.00 C ATOM 589 CG LYS A 44 -9.168 -11.542 1.335 1.00 0.00 C ATOM 590 CD LYS A 44 -8.132 -11.318 2.423 1.00 0.00 C ATOM 591 CE LYS A 44 -8.533 -11.997 3.724 1.00 0.00 C ATOM 592 NZ LYS A 44 -9.364 -11.107 4.581 1.00 0.00 N ATOM 0 H LYS A 44 -11.339 -10.396 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.594 -8.937 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.243 -11.167 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.843 -10.482 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.163 -11.345 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.150 -12.586 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.167 -11.703 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.007 -10.249 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.088 -12.909 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.637 -12.294 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.617 -11.606 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.826 -10.248 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.231 -10.844 4.070 1.00 0.00 H new ATOM 606 N GLU A 45 -8.924 -8.529 -1.978 1.00 0.00 N ATOM 607 CA GLU A 45 -8.277 -7.636 -2.931 1.00 0.00 C ATOM 608 C GLU A 45 -9.036 -6.316 -3.042 1.00 0.00 C ATOM 609 O GLU A 45 -8.444 -5.239 -2.976 1.00 0.00 O ATOM 610 CB GLU A 45 -8.185 -8.301 -4.306 1.00 0.00 C ATOM 611 CG GLU A 45 -7.642 -9.719 -4.261 1.00 0.00 C ATOM 612 CD GLU A 45 -7.621 -10.380 -5.626 1.00 0.00 C ATOM 613 OE1 GLU A 45 -7.209 -9.716 -6.600 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.016 -11.561 -5.719 1.00 0.00 O ATOM 0 H GLU A 45 -9.376 -9.340 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.271 -7.427 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.176 -8.315 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.547 -7.697 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.631 -9.704 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.251 -10.316 -3.582 1.00 0.00 H new ATOM 621 N LYS A 46 -10.350 -6.409 -3.211 1.00 0.00 N ATOM 622 CA LYS A 46 -11.192 -5.225 -3.331 1.00 0.00 C ATOM 623 C LYS A 46 -10.804 -4.175 -2.296 1.00 0.00 C ATOM 624 O LYS A 46 -10.765 -2.982 -2.594 1.00 0.00 O ATOM 625 CB LYS A 46 -12.666 -5.603 -3.162 1.00 0.00 C ATOM 626 CG LYS A 46 -13.253 -6.315 -4.369 1.00 0.00 C ATOM 627 CD LYS A 46 -14.628 -6.885 -4.065 1.00 0.00 C ATOM 628 CE LYS A 46 -15.658 -5.783 -3.870 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.967 -6.322 -3.406 1.00 0.00 N ATOM 0 H LYS A 46 -10.856 -7.293 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.043 -4.803 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.770 -6.244 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.244 -4.700 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.323 -5.619 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.585 -7.119 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.941 -7.537 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.577 -7.500 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.284 -5.061 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.798 -5.247 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.641 -5.540 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.336 -6.992 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.838 -6.812 -2.498 1.00 0.00 H new ATOM 643 N GLU A 47 -10.517 -4.627 -1.079 1.00 0.00 N ATOM 644 CA GLU A 47 -10.131 -3.725 -0.001 1.00 0.00 C ATOM 645 C GLU A 47 -9.013 -2.788 -0.449 1.00 0.00 C ATOM 646 O GLU A 47 -9.069 -1.580 -0.217 1.00 0.00 O ATOM 647 CB GLU A 47 -9.683 -4.522 1.226 1.00 0.00 C ATOM 648 CG GLU A 47 -9.084 -3.662 2.326 1.00 0.00 C ATOM 649 CD GLU A 47 -10.137 -3.063 3.237 1.00 0.00 C ATOM 650 OE1 GLU A 47 -10.689 -1.998 2.886 1.00 0.00 O ATOM 651 OE2 GLU A 47 -10.410 -3.657 4.301 1.00 0.00 O ATOM 0 H GLU A 47 -10.545 -5.612 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.001 -3.124 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.538 -5.066 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.948 -5.266 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.396 -4.265 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.499 -2.860 1.877 1.00 0.00 H new ATOM 658 N LEU A 48 -7.997 -3.354 -1.092 1.00 0.00 N ATOM 659 CA LEU A 48 -6.864 -2.571 -1.573 1.00 0.00 C ATOM 660 C LEU A 48 -7.300 -1.594 -2.659 1.00 0.00 C ATOM 661 O LEU A 48 -6.821 -0.460 -2.717 1.00 0.00 O ATOM 662 CB LEU A 48 -5.772 -3.496 -2.111 1.00 0.00 C ATOM 663 CG LEU A 48 -4.830 -4.101 -1.069 1.00 0.00 C ATOM 664 CD1 LEU A 48 -4.006 -5.223 -1.682 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.923 -3.029 -0.484 1.00 0.00 C ATOM 0 H LEU A 48 -7.935 -4.352 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.466 -1.999 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.250 -4.310 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.174 -2.938 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.432 -4.519 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.342 -5.641 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.672 -6.003 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.413 -4.830 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.260 -3.478 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.329 -2.581 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.530 -2.259 -0.007 1.00 0.00 H new ATOM 677 N CYS A 49 -8.212 -2.039 -3.517 1.00 0.00 N ATOM 678 CA CYS A 49 -8.714 -1.202 -4.601 1.00 0.00 C ATOM 679 C CYS A 49 -9.287 0.104 -4.061 1.00 0.00 C ATOM 680 O CYS A 49 -9.250 1.134 -4.733 1.00 0.00 O ATOM 681 CB CYS A 49 -9.783 -1.951 -5.398 1.00 0.00 C ATOM 682 SG CYS A 49 -9.172 -3.427 -6.247 1.00 0.00 S ATOM 0 H CYS A 49 -8.618 -2.974 -3.483 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.879 -0.965 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.588 -2.240 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.213 -1.273 -6.135 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.087 -4.410 -5.401 1.00 0.00 H new ATOM 688 N GLN A 50 -9.817 0.051 -2.843 1.00 0.00 N ATOM 689 CA GLN A 50 -10.400 1.230 -2.213 1.00 0.00 C ATOM 690 C GLN A 50 -9.343 2.017 -1.445 1.00 0.00 C ATOM 691 O GLN A 50 -8.996 3.137 -1.818 1.00 0.00 O ATOM 692 CB GLN A 50 -11.534 0.822 -1.271 1.00 0.00 C ATOM 693 CG GLN A 50 -12.562 -0.094 -1.916 1.00 0.00 C ATOM 694 CD GLN A 50 -13.813 -0.251 -1.075 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.479 0.730 -0.742 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.140 -1.490 -0.725 1.00 0.00 N ATOM 0 H GLN A 50 -9.855 -0.794 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.802 1.869 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.110 0.322 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.036 1.720 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.834 0.303 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.116 -1.074 -2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.560 -2.274 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.971 -1.657 -0.158 1.00 0.00 H new ATOM 705 N VAL A 51 -8.835 1.422 -0.370 1.00 0.00 N ATOM 706 CA VAL A 51 -7.816 2.066 0.450 1.00 0.00 C ATOM 707 C VAL A 51 -6.674 2.598 -0.409 1.00 0.00 C ATOM 708 O VAL A 51 -6.131 3.671 -0.145 1.00 0.00 O ATOM 709 CB VAL A 51 -7.245 1.096 1.501 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.965 -0.262 0.877 1.00 0.00 C ATOM 711 CG2 VAL A 51 -5.987 1.673 2.131 1.00 0.00 C ATOM 0 H VAL A 51 -9.113 0.495 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.301 2.898 0.961 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.988 0.961 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.562 -0.934 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.891 -0.677 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.241 -0.149 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.597 0.974 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.236 1.839 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.224 2.620 2.616 1.00 0.00 H new ATOM 721 N VAL A 52 -6.313 1.839 -1.439 1.00 0.00 N ATOM 722 CA VAL A 52 -5.236 2.234 -2.339 1.00 0.00 C ATOM 723 C VAL A 52 -5.770 3.048 -3.512 1.00 0.00 C ATOM 724 O VAL A 52 -5.009 3.706 -4.221 1.00 0.00 O ATOM 725 CB VAL A 52 -4.480 1.007 -2.881 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.167 1.429 -3.524 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.238 -0.004 -1.770 1.00 0.00 C ATOM 0 H VAL A 52 -6.751 0.947 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.548 2.848 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.095 0.532 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.647 0.548 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.369 2.112 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.543 1.929 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.703 -0.864 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.644 0.457 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.194 -0.330 -1.360 1.00 0.00 H new ATOM 737 N ARG A 53 -7.083 2.998 -3.710 1.00 0.00 N ATOM 738 CA ARG A 53 -7.720 3.730 -4.798 1.00 0.00 C ATOM 739 C ARG A 53 -7.245 3.213 -6.153 1.00 0.00 C ATOM 740 O ARG A 53 -6.842 3.990 -7.019 1.00 0.00 O ATOM 741 CB ARG A 53 -7.421 5.226 -4.678 1.00 0.00 C ATOM 742 CG ARG A 53 -7.436 5.737 -3.247 1.00 0.00 C ATOM 743 CD ARG A 53 -7.655 7.241 -3.195 1.00 0.00 C ATOM 744 NE ARG A 53 -6.400 7.981 -3.305 1.00 0.00 N ATOM 745 CZ ARG A 53 -5.829 8.289 -4.464 1.00 0.00 C ATOM 746 NH1 ARG A 53 -6.397 7.924 -5.605 1.00 0.00 N ATOM 747 NH2 ARG A 53 -4.687 8.965 -4.483 1.00 0.00 N ATOM 0 H ARG A 53 -7.726 2.458 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.796 3.574 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.444 5.429 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.155 5.782 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.225 5.234 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.493 5.489 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.323 7.538 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.150 7.503 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.937 8.277 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.275 7.405 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.956 8.162 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.247 9.248 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.249 9.201 -5.373 1.00 0.00 H new ATOM 761 N LEU A 54 -7.295 1.897 -6.328 1.00 0.00 N ATOM 762 CA LEU A 54 -6.870 1.275 -7.577 1.00 0.00 C ATOM 763 C LEU A 54 -7.966 0.374 -8.138 1.00 0.00 C ATOM 764 O LEU A 54 -8.649 -0.327 -7.392 1.00 0.00 O ATOM 765 CB LEU A 54 -5.591 0.465 -7.357 1.00 0.00 C ATOM 766 CG LEU A 54 -4.660 0.338 -8.563 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.336 -0.287 -8.152 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.320 -0.481 -9.663 1.00 0.00 C ATOM 0 H LEU A 54 -7.626 1.240 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.672 2.067 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.033 0.920 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.871 -0.537 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.462 1.337 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.686 -0.369 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.856 0.339 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.515 -1.279 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.643 -0.561 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.549 -1.478 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.242 0.008 -9.978 1.00 0.00 H new ATOM 780 N VAL A 55 -8.126 0.397 -9.457 1.00 0.00 N ATOM 781 CA VAL A 55 -9.136 -0.420 -10.118 1.00 0.00 C ATOM 782 C VAL A 55 -8.853 -1.906 -9.928 1.00 0.00 C ATOM 783 O VAL A 55 -7.716 -2.366 -10.039 1.00 0.00 O ATOM 784 CB VAL A 55 -9.209 -0.112 -11.626 1.00 0.00 C ATOM 785 CG1 VAL A 55 -8.152 -0.901 -12.384 1.00 0.00 C ATOM 786 CG2 VAL A 55 -10.599 -0.412 -12.165 1.00 0.00 C ATOM 0 H VAL A 55 -7.569 0.972 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.092 -0.173 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.010 0.950 -11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.219 -0.671 -13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.162 -0.631 -12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.316 -1.968 -12.233 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.632 -0.189 -13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.831 -1.465 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.332 0.203 -11.643 1.00 0.00 H new ATOM 796 N PRO A 56 -9.910 -2.677 -9.635 1.00 0.00 N ATOM 797 CA PRO A 56 -9.801 -4.124 -9.423 1.00 0.00 C ATOM 798 C PRO A 56 -9.486 -4.876 -10.712 1.00 0.00 C ATOM 799 O PRO A 56 -9.254 -6.084 -10.696 1.00 0.00 O ATOM 800 CB PRO A 56 -11.187 -4.512 -8.902 1.00 0.00 C ATOM 801 CG PRO A 56 -12.100 -3.465 -9.440 1.00 0.00 C ATOM 802 CD PRO A 56 -11.294 -2.197 -9.487 1.00 0.00 C ATOM 0 HA PRO A 56 -8.989 -4.376 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.476 -5.505 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.209 -4.534 -7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.461 -3.735 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.977 -3.347 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.591 -1.563 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.420 -1.607 -8.579 1.00 0.00 H new ATOM 810 N GLY A 57 -9.479 -4.152 -11.827 1.00 0.00 N ATOM 811 CA GLY A 57 -9.191 -4.768 -13.109 1.00 0.00 C ATOM 812 C GLY A 57 -7.713 -4.747 -13.444 1.00 0.00 C ATOM 813 O GLY A 57 -7.248 -5.518 -14.282 1.00 0.00 O ATOM 0 H GLY A 57 -9.668 -3.150 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.544 -5.799 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.745 -4.248 -13.891 1.00 0.00 H new ATOM 817 N ALA A 58 -6.972 -3.859 -12.788 1.00 0.00 N ATOM 818 CA ALA A 58 -5.538 -3.740 -13.021 1.00 0.00 C ATOM 819 C ALA A 58 -4.746 -4.507 -11.967 1.00 0.00 C ATOM 820 O ALA A 58 -3.749 -5.159 -12.279 1.00 0.00 O ATOM 821 CB ALA A 58 -5.125 -2.276 -13.032 1.00 0.00 C ATOM 0 H ALA A 58 -7.341 -3.212 -12.091 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.315 -4.176 -13.995 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.052 -2.202 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.659 -1.753 -13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.368 -1.822 -12.071 1.00 0.00 H new ATOM 827 N TYR A 59 -5.195 -4.425 -10.720 1.00 0.00 N ATOM 828 CA TYR A 59 -4.526 -5.109 -9.620 1.00 0.00 C ATOM 829 C TYR A 59 -4.308 -6.583 -9.947 1.00 0.00 C ATOM 830 O TYR A 59 -3.492 -7.257 -9.317 1.00 0.00 O ATOM 831 CB TYR A 59 -5.345 -4.976 -8.335 1.00 0.00 C ATOM 832 CG TYR A 59 -4.837 -5.837 -7.201 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.799 -5.404 -6.386 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.394 -7.084 -6.945 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.330 -6.188 -5.349 1.00 0.00 C ATOM 836 CE2 TYR A 59 -4.934 -7.873 -5.910 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.901 -7.421 -5.115 1.00 0.00 C ATOM 838 OH TYR A 59 -3.439 -8.205 -4.083 1.00 0.00 O ATOM 0 H TYR A 59 -6.020 -3.891 -10.445 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.553 -4.640 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.341 -3.933 -8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.381 -5.241 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.351 -4.438 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.201 -7.442 -7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.521 -5.837 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.380 -8.839 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.276 -7.646 -3.295 1.00 0.00 H new ATOM 848 N LEU A 60 -5.043 -7.077 -10.937 1.00 0.00 N ATOM 849 CA LEU A 60 -4.932 -8.472 -11.351 1.00 0.00 C ATOM 850 C LEU A 60 -3.837 -8.643 -12.399 1.00 0.00 C ATOM 851 O LEU A 60 -3.199 -9.692 -12.478 1.00 0.00 O ATOM 852 CB LEU A 60 -6.268 -8.968 -11.906 1.00 0.00 C ATOM 853 CG LEU A 60 -7.474 -8.831 -10.976 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.768 -9.038 -11.747 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.374 -9.818 -9.823 1.00 0.00 C ATOM 0 H LEU A 60 -5.722 -6.533 -11.468 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.667 -9.065 -10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.481 -8.424 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.159 -10.019 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.478 -7.822 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.616 -8.937 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.844 -8.291 -12.537 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.773 -10.035 -12.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.241 -9.706 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.344 -10.834 -10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.465 -9.622 -9.254 1.00 0.00 H new ATOM 867 N GLU A 61 -3.624 -7.603 -13.200 1.00 0.00 N ATOM 868 CA GLU A 61 -2.605 -7.639 -14.243 1.00 0.00 C ATOM 869 C GLU A 61 -1.208 -7.508 -13.643 1.00 0.00 C ATOM 870 O GLU A 61 -0.241 -8.061 -14.167 1.00 0.00 O ATOM 871 CB GLU A 61 -2.843 -6.520 -15.258 1.00 0.00 C ATOM 872 CG GLU A 61 -3.823 -6.894 -16.358 1.00 0.00 C ATOM 873 CD GLU A 61 -3.498 -8.230 -16.999 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.655 -8.258 -17.919 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.088 -9.247 -16.578 1.00 0.00 O ATOM 0 H GLU A 61 -4.143 -6.726 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.675 -8.601 -14.751 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.216 -5.640 -14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.891 -6.243 -15.710 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.831 -6.929 -15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.819 -6.117 -17.123 1.00 0.00 H new ATOM 882 N TYR A 62 -1.111 -6.773 -12.541 1.00 0.00 N ATOM 883 CA TYR A 62 0.167 -6.566 -11.870 1.00 0.00 C ATOM 884 C TYR A 62 0.639 -7.847 -11.189 1.00 0.00 C ATOM 885 O TYR A 62 1.830 -8.027 -10.935 1.00 0.00 O ATOM 886 CB TYR A 62 0.051 -5.440 -10.841 1.00 0.00 C ATOM 887 CG TYR A 62 -0.629 -4.199 -11.375 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.706 -3.959 -12.741 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.194 -3.268 -10.513 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.325 -2.826 -13.233 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.816 -2.133 -10.996 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.879 -1.916 -12.357 1.00 0.00 C ATOM 893 OH TYR A 62 -2.497 -0.788 -12.843 1.00 0.00 O ATOM 0 H TYR A 62 -1.902 -6.310 -12.093 1.00 0.00 H new ATOM 0 HA TYR A 62 0.902 -6.285 -12.624 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.504 -5.805 -9.977 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.049 -5.175 -10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.275 -4.670 -13.430 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.146 -3.434 -9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.375 -2.654 -14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.251 -1.419 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.835 -0.252 -12.095 1.00 0.00 H new ATOM 903 N LYS A 63 -0.305 -8.735 -10.895 1.00 0.00 N ATOM 904 CA LYS A 63 0.010 -10.001 -10.245 1.00 0.00 C ATOM 905 C LYS A 63 0.959 -10.832 -11.103 1.00 0.00 C ATOM 906 O LYS A 63 2.096 -11.096 -10.711 1.00 0.00 O ATOM 907 CB LYS A 63 -1.272 -10.791 -9.972 1.00 0.00 C ATOM 908 CG LYS A 63 -2.171 -10.150 -8.929 1.00 0.00 C ATOM 909 CD LYS A 63 -1.797 -10.591 -7.524 1.00 0.00 C ATOM 910 CE LYS A 63 -2.385 -11.954 -7.193 1.00 0.00 C ATOM 911 NZ LYS A 63 -3.866 -11.973 -7.351 1.00 0.00 N ATOM 0 H LYS A 63 -1.296 -8.601 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 63 0.503 -9.781 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.828 -10.897 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.007 -11.796 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.098 -9.065 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.209 -10.414 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.712 -10.629 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.153 -9.855 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.941 -12.708 -7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.126 -12.222 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.275 -12.681 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.252 -11.035 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.107 -12.216 -8.333 1.00 0.00 H new ATOM 925 N SER A 64 0.485 -11.240 -12.276 1.00 0.00 N ATOM 926 CA SER A 64 1.291 -12.042 -13.188 1.00 0.00 C ATOM 927 C SER A 64 2.687 -11.448 -13.347 1.00 0.00 C ATOM 928 O SER A 64 3.691 -12.116 -13.101 1.00 0.00 O ATOM 929 CB SER A 64 0.608 -12.141 -14.554 1.00 0.00 C ATOM 930 OG SER A 64 -0.561 -12.938 -14.483 1.00 0.00 O ATOM 0 H SER A 64 -0.453 -11.028 -12.617 1.00 0.00 H new ATOM 0 HA SER A 64 1.387 -13.042 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.350 -11.143 -14.908 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.300 -12.568 -15.280 1.00 0.00 H new ATOM 0 HG SER A 64 -0.980 -12.984 -15.368 1.00 0.00 H new ATOM 936 N ALA A 65 2.742 -10.186 -13.760 1.00 0.00 N ATOM 937 CA ALA A 65 4.014 -9.499 -13.950 1.00 0.00 C ATOM 938 C ALA A 65 4.876 -9.582 -12.695 1.00 0.00 C ATOM 939 O ALA A 65 5.905 -10.258 -12.679 1.00 0.00 O ATOM 940 CB ALA A 65 3.777 -8.046 -14.335 1.00 0.00 C ATOM 0 H ALA A 65 1.921 -9.619 -13.969 1.00 0.00 H new ATOM 0 HA ALA A 65 4.549 -9.995 -14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.735 -7.545 -14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.208 -8.004 -15.264 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.218 -7.547 -13.544 1.00 0.00 H new ATOM 946 N LEU A 66 4.449 -8.890 -11.644 1.00 0.00 N ATOM 947 CA LEU A 66 5.183 -8.885 -10.383 1.00 0.00 C ATOM 948 C LEU A 66 5.688 -10.283 -10.041 1.00 0.00 C ATOM 949 O LEU A 66 6.806 -10.448 -9.552 1.00 0.00 O ATOM 950 CB LEU A 66 4.292 -8.361 -9.254 1.00 0.00 C ATOM 951 CG LEU A 66 4.020 -6.857 -9.257 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.535 -6.400 -7.890 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.269 -6.089 -9.665 1.00 0.00 C ATOM 0 H LEU A 66 3.599 -8.326 -11.640 1.00 0.00 H new ATOM 0 HA LEU A 66 6.044 -8.226 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.336 -8.883 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.753 -8.625 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 66 3.237 -6.651 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.346 -5.327 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.614 -6.925 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.296 -6.620 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.056 -5.020 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.073 -6.301 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.574 -6.395 -10.666 1.00 0.00 H new ATOM 965 N LEU A 67 4.858 -11.286 -10.303 1.00 0.00 N ATOM 966 CA LEU A 67 5.221 -12.672 -10.025 1.00 0.00 C ATOM 967 C LEU A 67 6.211 -13.193 -11.061 1.00 0.00 C ATOM 968 O LEU A 67 7.056 -14.035 -10.758 1.00 0.00 O ATOM 969 CB LEU A 67 3.971 -13.553 -10.008 1.00 0.00 C ATOM 970 CG LEU A 67 3.096 -13.455 -8.758 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.725 -14.059 -9.017 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.770 -14.142 -7.580 1.00 0.00 C ATOM 0 H LEU A 67 3.929 -11.166 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 67 5.697 -12.708 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.361 -13.299 -10.875 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.281 -14.591 -10.129 1.00 0.00 H new ATOM 0 HG LEU A 67 2.965 -12.401 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.117 -13.980 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.239 -13.522 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.835 -15.109 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.133 -14.062 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.932 -15.194 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.728 -13.663 -7.379 1.00 0.00 H new ATOM 984 N ASN A 68 6.102 -12.686 -12.284 1.00 0.00 N ATOM 985 CA ASN A 68 6.989 -13.100 -13.365 1.00 0.00 C ATOM 986 C ASN A 68 8.446 -12.810 -13.015 1.00 0.00 C ATOM 987 O ASN A 68 9.303 -13.688 -13.108 1.00 0.00 O ATOM 988 CB ASN A 68 6.614 -12.383 -14.664 1.00 0.00 C ATOM 989 CG ASN A 68 6.939 -13.208 -15.894 1.00 0.00 C ATOM 990 OD1 ASN A 68 8.073 -13.651 -16.076 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.942 -13.417 -16.746 1.00 0.00 N ATOM 0 H ASN A 68 5.408 -11.988 -12.552 1.00 0.00 H new ATOM 0 HA ASN A 68 6.873 -14.175 -13.504 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.548 -12.154 -14.655 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.144 -11.432 -14.717 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.100 -13.964 -17.592 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.018 -13.030 -16.554 1.00 0.00 H new ATOM 998 N GLU A 69 8.717 -11.573 -12.610 1.00 0.00 N ATOM 999 CA GLU A 69 10.069 -11.169 -12.245 1.00 0.00 C ATOM 1000 C GLU A 69 10.536 -11.899 -10.990 1.00 0.00 C ATOM 1001 O GLU A 69 11.570 -12.568 -10.996 1.00 0.00 O ATOM 1002 CB GLU A 69 10.130 -9.656 -12.021 1.00 0.00 C ATOM 1003 CG GLU A 69 11.481 -9.046 -12.353 1.00 0.00 C ATOM 1004 CD GLU A 69 11.645 -8.759 -13.833 1.00 0.00 C ATOM 1005 OE1 GLU A 69 10.683 -8.254 -14.448 1.00 0.00 O ATOM 1006 OE2 GLU A 69 12.734 -9.040 -14.375 1.00 0.00 O ATOM 0 H GLU A 69 8.019 -10.834 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 69 10.734 -11.435 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.364 -9.176 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.890 -9.441 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.605 -8.120 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.271 -9.724 -12.029 1.00 0.00 H new ATOM 1013 N CYS A 70 9.767 -11.766 -9.915 1.00 0.00 N ATOM 1014 CA CYS A 70 10.101 -12.412 -8.650 1.00 0.00 C ATOM 1015 C CYS A 70 10.404 -13.892 -8.860 1.00 0.00 C ATOM 1016 O CYS A 70 11.016 -14.538 -8.008 1.00 0.00 O ATOM 1017 CB CYS A 70 8.954 -12.250 -7.652 1.00 0.00 C ATOM 1018 SG CYS A 70 9.053 -13.360 -6.228 1.00 0.00 S ATOM 0 H CYS A 70 8.908 -11.217 -9.894 1.00 0.00 H new ATOM 0 HA CYS A 70 10.992 -11.930 -8.248 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.939 -11.220 -7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.010 -12.422 -8.169 1.00 0.00 H new ATOM 0 HG CYS A 70 9.935 -14.286 -6.460 1.00 0.00 H new ATOM 1024 N HIS A 71 9.971 -14.425 -9.998 1.00 0.00 N ATOM 1025 CA HIS A 71 10.195 -15.830 -10.319 1.00 0.00 C ATOM 1026 C HIS A 71 11.533 -16.019 -11.027 1.00 0.00 C ATOM 1027 O HIS A 71 12.389 -16.777 -10.569 1.00 0.00 O ATOM 1028 CB HIS A 71 9.061 -16.362 -11.196 1.00 0.00 C ATOM 1029 CG HIS A 71 7.828 -16.723 -10.426 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.835 -17.534 -10.934 1.00 0.00 N ATOM 1031 CD2 HIS A 71 7.431 -16.381 -9.178 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.879 -17.673 -10.032 1.00 0.00 C ATOM 1033 NE2 HIS A 71 6.217 -16.984 -8.957 1.00 0.00 N ATOM 0 H HIS A 71 9.463 -13.905 -10.713 1.00 0.00 H new ATOM 0 HA HIS A 71 10.216 -16.392 -9.385 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.806 -15.610 -11.942 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.412 -17.241 -11.737 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.969 -15.751 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.975 -18.252 -10.153 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.666 -16.912 -8.102 1.00 0.00 H new ATOM 1042 N LYS A 72 11.707 -15.325 -12.147 1.00 0.00 N ATOM 1043 CA LYS A 72 12.940 -15.415 -12.919 1.00 0.00 C ATOM 1044 C LYS A 72 14.135 -14.950 -12.093 1.00 0.00 C ATOM 1045 O LYS A 72 15.261 -15.399 -12.307 1.00 0.00 O ATOM 1046 CB LYS A 72 12.831 -14.575 -14.194 1.00 0.00 C ATOM 1047 CG LYS A 72 12.740 -13.082 -13.932 1.00 0.00 C ATOM 1048 CD LYS A 72 12.226 -12.332 -15.150 1.00 0.00 C ATOM 1049 CE LYS A 72 13.367 -11.883 -16.050 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.924 -10.862 -17.040 1.00 0.00 N ATOM 0 H LYS A 72 11.009 -14.694 -12.540 1.00 0.00 H new ATOM 0 HA LYS A 72 13.093 -16.459 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.698 -14.773 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.951 -14.892 -14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.078 -12.900 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.723 -12.700 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.547 -12.972 -15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.651 -11.463 -14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.171 -11.472 -15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.776 -12.746 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.678 -10.706 -17.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.067 -11.197 -17.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.718 -9.969 -16.549 1.00 0.00 H new ATOM 1064 N GLN A 73 13.881 -14.050 -11.148 1.00 0.00 N ATOM 1065 CA GLN A 73 14.937 -13.526 -10.290 1.00 0.00 C ATOM 1066 C GLN A 73 14.944 -14.236 -8.940 1.00 0.00 C ATOM 1067 O GLN A 73 15.964 -14.779 -8.518 1.00 0.00 O ATOM 1068 CB GLN A 73 14.757 -12.020 -10.087 1.00 0.00 C ATOM 1069 CG GLN A 73 14.275 -11.292 -11.330 1.00 0.00 C ATOM 1070 CD GLN A 73 15.382 -11.064 -12.340 1.00 0.00 C ATOM 1071 OE1 GLN A 73 16.519 -11.492 -12.139 1.00 0.00 O ATOM 1072 NE2 GLN A 73 15.056 -10.386 -13.434 1.00 0.00 N ATOM 0 H GLN A 73 12.954 -13.669 -10.958 1.00 0.00 H new ATOM 0 HA GLN A 73 15.893 -13.708 -10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 73 14.044 -11.853 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.706 -11.589 -9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.476 -11.868 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.849 -10.331 -11.041 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.101 -10.050 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.760 -10.202 -14.148 1.00 0.00 H new ATOM 1081 N GLY A 74 13.797 -14.228 -8.267 1.00 0.00 N ATOM 1082 CA GLY A 74 13.693 -14.874 -6.971 1.00 0.00 C ATOM 1083 C GLY A 74 13.616 -13.878 -5.831 1.00 0.00 C ATOM 1084 O GLY A 74 13.361 -14.252 -4.687 1.00 0.00 O ATOM 0 H GLY A 74 12.939 -13.786 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.807 -15.509 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.555 -15.525 -6.823 1.00 0.00 H new ATOM 1088 N GLY A 75 13.837 -12.604 -6.144 1.00 0.00 N ATOM 1089 CA GLY A 75 13.789 -11.571 -5.125 1.00 0.00 C ATOM 1090 C GLY A 75 13.445 -10.210 -5.696 1.00 0.00 C ATOM 1091 O GLY A 75 14.281 -9.566 -6.332 1.00 0.00 O ATOM 0 H GLY A 75 14.048 -12.269 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.050 -11.843 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.754 -11.517 -4.621 1.00 0.00 H new ATOM 1095 N LEU A 76 12.212 -9.770 -5.472 1.00 0.00 N ATOM 1096 CA LEU A 76 11.759 -8.476 -5.970 1.00 0.00 C ATOM 1097 C LEU A 76 11.500 -7.510 -4.819 1.00 0.00 C ATOM 1098 O LEU A 76 11.092 -7.919 -3.732 1.00 0.00 O ATOM 1099 CB LEU A 76 10.488 -8.646 -6.805 1.00 0.00 C ATOM 1100 CG LEU A 76 10.282 -7.631 -7.929 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.226 -7.918 -9.087 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.836 -7.644 -8.402 1.00 0.00 C ATOM 0 H LEU A 76 11.508 -10.290 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 76 12.546 -8.060 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.495 -9.645 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.629 -8.597 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 76 10.507 -6.638 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.065 -7.185 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.257 -7.856 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.033 -8.918 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.708 -6.915 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.583 -8.638 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.179 -7.389 -7.571 1.00 0.00 H new ATOM 1114 N ARG A 77 11.738 -6.226 -5.067 1.00 0.00 N ATOM 1115 CA ARG A 77 11.529 -5.201 -4.051 1.00 0.00 C ATOM 1116 C ARG A 77 10.550 -4.139 -4.544 1.00 0.00 C ATOM 1117 O ARG A 77 9.980 -4.260 -5.629 1.00 0.00 O ATOM 1118 CB ARG A 77 12.861 -4.547 -3.675 1.00 0.00 C ATOM 1119 CG ARG A 77 13.834 -4.435 -4.837 1.00 0.00 C ATOM 1120 CD ARG A 77 15.063 -3.625 -4.458 1.00 0.00 C ATOM 1121 NE ARG A 77 15.949 -4.361 -3.560 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.977 -3.809 -2.926 1.00 0.00 C ATOM 1123 NH1 ARG A 77 17.248 -2.522 -3.090 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.736 -4.545 -2.124 1.00 0.00 N ATOM 0 H ARG A 77 12.075 -5.871 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 77 11.105 -5.680 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.667 -3.551 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.327 -5.124 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.138 -5.432 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.336 -3.967 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.609 -3.351 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.752 -2.697 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 77 15.768 -5.354 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.666 -1.953 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.038 -2.101 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.530 -5.536 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.525 -4.120 -1.637 1.00 0.00 H new ATOM 1138 N LEU A 78 10.360 -3.099 -3.739 1.00 0.00 N ATOM 1139 CA LEU A 78 9.449 -2.015 -4.092 1.00 0.00 C ATOM 1140 C LEU A 78 10.019 -1.174 -5.229 1.00 0.00 C ATOM 1141 O LEU A 78 9.275 -0.568 -6.000 1.00 0.00 O ATOM 1142 CB LEU A 78 9.181 -1.131 -2.873 1.00 0.00 C ATOM 1143 CG LEU A 78 8.438 0.178 -3.144 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.078 -0.099 -3.765 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.287 0.981 -1.860 1.00 0.00 C ATOM 0 H LEU A 78 10.824 -2.983 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 78 8.510 -2.456 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.606 -1.709 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.136 -0.893 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 78 9.024 0.767 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.564 0.844 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.210 -0.632 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.484 -0.708 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.756 1.909 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.724 0.399 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.273 1.211 -1.457 1.00 0.00 H new ATOM 1157 N ALA A 79 11.344 -1.143 -5.329 1.00 0.00 N ATOM 1158 CA ALA A 79 12.014 -0.380 -6.375 1.00 0.00 C ATOM 1159 C ALA A 79 11.783 -1.007 -7.746 1.00 0.00 C ATOM 1160 O ALA A 79 11.659 -0.302 -8.747 1.00 0.00 O ATOM 1161 CB ALA A 79 13.504 -0.279 -6.083 1.00 0.00 C ATOM 0 H ALA A 79 11.975 -1.638 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 79 11.589 0.623 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.991 0.293 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.654 0.221 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.935 -1.279 -6.041 1.00 0.00 H new ATOM 1167 N GLN A 80 11.727 -2.334 -7.782 1.00 0.00 N ATOM 1168 CA GLN A 80 11.512 -3.055 -9.031 1.00 0.00 C ATOM 1169 C GLN A 80 10.025 -3.146 -9.359 1.00 0.00 C ATOM 1170 O GLN A 80 9.620 -2.964 -10.507 1.00 0.00 O ATOM 1171 CB GLN A 80 12.114 -4.458 -8.945 1.00 0.00 C ATOM 1172 CG GLN A 80 13.548 -4.475 -8.440 1.00 0.00 C ATOM 1173 CD GLN A 80 14.561 -4.295 -9.553 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.915 -3.171 -9.910 1.00 0.00 O ATOM 1175 NE2 GLN A 80 15.033 -5.404 -10.109 1.00 0.00 N ATOM 0 H GLN A 80 11.827 -2.932 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 80 12.008 -2.503 -9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.498 -5.069 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.080 -4.920 -9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.679 -3.683 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.738 -5.419 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.712 -6.315 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.717 -5.345 -10.863 1.00 0.00 H new ATOM 1184 N ALA A 81 9.217 -3.428 -8.342 1.00 0.00 N ATOM 1185 CA ALA A 81 7.775 -3.541 -8.522 1.00 0.00 C ATOM 1186 C ALA A 81 7.217 -2.330 -9.261 1.00 0.00 C ATOM 1187 O ALA A 81 6.513 -2.471 -10.261 1.00 0.00 O ATOM 1188 CB ALA A 81 7.086 -3.704 -7.175 1.00 0.00 C ATOM 0 H ALA A 81 9.536 -3.582 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 81 7.578 -4.425 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.010 -3.787 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.455 -4.605 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.299 -2.837 -6.550 1.00 0.00 H new ATOM 1194 N ARG A 82 7.534 -1.140 -8.761 1.00 0.00 N ATOM 1195 CA ARG A 82 7.062 0.096 -9.373 1.00 0.00 C ATOM 1196 C ARG A 82 7.610 0.246 -10.789 1.00 0.00 C ATOM 1197 O ARG A 82 7.157 1.096 -11.554 1.00 0.00 O ATOM 1198 CB ARG A 82 7.476 1.301 -8.525 1.00 0.00 C ATOM 1199 CG ARG A 82 8.877 1.805 -8.827 1.00 0.00 C ATOM 1200 CD ARG A 82 9.360 2.779 -7.763 1.00 0.00 C ATOM 1201 NE ARG A 82 10.789 3.057 -7.885 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.294 3.950 -8.729 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.492 4.647 -9.521 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.605 4.147 -8.781 1.00 0.00 N ATOM 0 H ARG A 82 8.116 -1.006 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 82 5.974 0.053 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.765 2.111 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.416 1.031 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.564 0.961 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.887 2.294 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.801 3.711 -7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.153 2.368 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 82 11.434 2.537 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.484 4.499 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.883 5.332 -10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.226 3.613 -8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.992 4.833 -9.429 1.00 0.00 H new ATOM 1218 N ALA A 83 8.588 -0.587 -11.130 1.00 0.00 N ATOM 1219 CA ALA A 83 9.197 -0.549 -12.454 1.00 0.00 C ATOM 1220 C ALA A 83 8.541 -1.558 -13.390 1.00 0.00 C ATOM 1221 O ALA A 83 8.882 -1.639 -14.570 1.00 0.00 O ATOM 1222 CB ALA A 83 10.692 -0.812 -12.355 1.00 0.00 C ATOM 0 H ALA A 83 8.975 -1.296 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 83 9.041 0.447 -12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.134 -0.781 -13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.155 -0.049 -11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.860 -1.795 -11.914 1.00 0.00 H new ATOM 1228 N LEU A 84 7.598 -2.327 -12.855 1.00 0.00 N ATOM 1229 CA LEU A 84 6.893 -3.332 -13.643 1.00 0.00 C ATOM 1230 C LEU A 84 5.487 -2.860 -13.996 1.00 0.00 C ATOM 1231 O LEU A 84 4.850 -3.399 -14.903 1.00 0.00 O ATOM 1232 CB LEU A 84 6.822 -4.653 -12.874 1.00 0.00 C ATOM 1233 CG LEU A 84 8.005 -5.603 -13.060 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.201 -6.462 -11.820 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.800 -6.476 -14.289 1.00 0.00 C ATOM 0 H LEU A 84 7.304 -2.274 -11.880 1.00 0.00 H new ATOM 0 HA LEU A 84 7.447 -3.486 -14.569 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.727 -4.427 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.913 -5.175 -13.172 1.00 0.00 H new ATOM 0 HG LEU A 84 8.905 -5.006 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.048 -7.132 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.395 -5.821 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.301 -7.050 -11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.652 -7.146 -14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.890 -7.064 -14.170 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.711 -5.845 -15.173 1.00 0.00 H new ATOM 1247 N ILE A 85 5.009 -1.850 -13.277 1.00 0.00 N ATOM 1248 CA ILE A 85 3.679 -1.304 -13.517 1.00 0.00 C ATOM 1249 C ILE A 85 3.759 0.131 -14.027 1.00 0.00 C ATOM 1250 O ILE A 85 2.823 0.634 -14.649 1.00 0.00 O ATOM 1251 CB ILE A 85 2.818 -1.337 -12.241 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.673 -1.012 -11.014 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.153 -2.696 -12.086 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.932 -1.166 -9.704 1.00 0.00 C ATOM 0 H ILE A 85 5.523 -1.393 -12.524 1.00 0.00 H new ATOM 0 HA ILE A 85 3.212 -1.932 -14.276 1.00 0.00 H new ATOM 0 HB ILE A 85 2.038 -0.581 -12.327 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.547 -1.664 -11.007 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.039 0.011 -11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.548 -2.704 -11.179 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.516 -2.890 -12.949 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.918 -3.470 -12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.599 -0.920 -8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.074 -0.494 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.589 -2.195 -9.599 1.00 0.00 H new ATOM 1266 N LYS A 86 4.883 0.787 -13.760 1.00 0.00 N ATOM 1267 CA LYS A 86 5.089 2.163 -14.194 1.00 0.00 C ATOM 1268 C LYS A 86 4.060 3.093 -13.557 1.00 0.00 C ATOM 1269 O LYS A 86 3.621 4.064 -14.175 1.00 0.00 O ATOM 1270 CB LYS A 86 5.003 2.258 -15.719 1.00 0.00 C ATOM 1271 CG LYS A 86 6.002 1.371 -16.440 1.00 0.00 C ATOM 1272 CD LYS A 86 7.305 2.105 -16.712 1.00 0.00 C ATOM 1273 CE LYS A 86 8.305 1.900 -15.584 1.00 0.00 C ATOM 1274 NZ LYS A 86 9.175 0.714 -15.823 1.00 0.00 N ATOM 0 H LYS A 86 5.667 0.387 -13.244 1.00 0.00 H new ATOM 0 HA LYS A 86 6.083 2.474 -13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.995 1.988 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.165 3.293 -16.020 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.202 0.484 -15.839 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.573 1.029 -17.382 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.734 1.751 -17.649 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.106 3.170 -16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.925 2.791 -15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.770 1.774 -14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.085 0.848 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.708 -0.139 -15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.340 0.604 -16.844 1.00 0.00 H new ATOM 1288 N ILE A 87 3.682 2.791 -12.320 1.00 0.00 N ATOM 1289 CA ILE A 87 2.707 3.601 -11.600 1.00 0.00 C ATOM 1290 C ILE A 87 3.302 4.161 -10.312 1.00 0.00 C ATOM 1291 O ILE A 87 4.224 3.581 -9.739 1.00 0.00 O ATOM 1292 CB ILE A 87 1.443 2.791 -11.260 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.772 1.692 -10.247 1.00 0.00 C ATOM 1294 CG2 ILE A 87 0.841 2.192 -12.522 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.602 1.312 -9.367 1.00 0.00 C ATOM 0 H ILE A 87 4.036 1.991 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 87 2.433 4.425 -12.259 1.00 0.00 H new ATOM 0 HB ILE A 87 0.709 3.462 -10.815 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.116 0.807 -10.782 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.597 2.025 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.052 1.622 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.574 2.992 -13.213 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.569 1.532 -12.994 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.908 0.528 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.271 2.185 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.217 0.948 -9.988 1.00 0.00 H new ATOM 1307 N ASP A 88 2.765 5.289 -9.861 1.00 0.00 N ATOM 1308 CA ASP A 88 3.240 5.926 -8.638 1.00 0.00 C ATOM 1309 C ASP A 88 3.607 4.881 -7.588 1.00 0.00 C ATOM 1310 O ASP A 88 2.763 4.094 -7.159 1.00 0.00 O ATOM 1311 CB ASP A 88 2.174 6.872 -8.083 1.00 0.00 C ATOM 1312 CG ASP A 88 2.772 8.009 -7.278 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.823 8.540 -7.692 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.190 8.367 -6.233 1.00 0.00 O ATOM 0 H ASP A 88 2.001 5.781 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 88 4.134 6.501 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.591 7.282 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.484 6.309 -7.454 1.00 0.00 H new ATOM 1319 N VAL A 89 4.872 4.879 -7.179 1.00 0.00 N ATOM 1320 CA VAL A 89 5.350 3.931 -6.180 1.00 0.00 C ATOM 1321 C VAL A 89 4.407 3.871 -4.984 1.00 0.00 C ATOM 1322 O VAL A 89 4.215 2.813 -4.385 1.00 0.00 O ATOM 1323 CB VAL A 89 6.763 4.300 -5.688 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.777 5.707 -5.112 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.249 3.289 -4.661 1.00 0.00 C ATOM 0 H VAL A 89 5.584 5.523 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 89 5.384 2.954 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 89 7.444 4.275 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.783 5.950 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.474 6.418 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.085 5.763 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.248 3.564 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.569 3.280 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.279 2.297 -5.113 1.00 0.00 H new ATOM 1335 N ASN A 90 3.821 5.013 -4.641 1.00 0.00 N ATOM 1336 CA ASN A 90 2.896 5.090 -3.516 1.00 0.00 C ATOM 1337 C ASN A 90 1.809 4.026 -3.631 1.00 0.00 C ATOM 1338 O ASN A 90 1.338 3.493 -2.626 1.00 0.00 O ATOM 1339 CB ASN A 90 2.260 6.480 -3.446 1.00 0.00 C ATOM 1340 CG ASN A 90 1.676 6.780 -2.079 1.00 0.00 C ATOM 1341 OD1 ASN A 90 0.968 5.957 -1.500 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.972 7.965 -1.557 1.00 0.00 N ATOM 0 H ASN A 90 3.970 5.898 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 90 3.460 4.909 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.010 7.232 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.475 6.556 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.608 8.224 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.563 8.616 -2.073 1.00 0.00 H new ATOM 1349 N LYS A 91 1.415 3.721 -4.862 1.00 0.00 N ATOM 1350 CA LYS A 91 0.385 2.719 -5.111 1.00 0.00 C ATOM 1351 C LYS A 91 0.907 1.317 -4.814 1.00 0.00 C ATOM 1352 O LYS A 91 0.485 0.677 -3.850 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.094 2.800 -6.562 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.577 4.182 -6.967 1.00 0.00 C ATOM 1355 CD LYS A 91 -2.059 4.360 -6.684 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.913 3.606 -7.692 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.251 4.236 -7.867 1.00 0.00 N ATOM 0 H LYS A 91 1.794 4.154 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.454 2.923 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.720 2.501 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.903 2.084 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.009 4.940 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.387 4.338 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.284 4.006 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.311 5.420 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.398 3.574 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.038 2.574 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.561 4.123 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.936 3.777 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.191 5.248 -7.636 1.00 0.00 H new ATOM 1371 N THR A 92 1.829 0.845 -5.647 1.00 0.00 N ATOM 1372 CA THR A 92 2.409 -0.481 -5.474 1.00 0.00 C ATOM 1373 C THR A 92 2.768 -0.738 -4.015 1.00 0.00 C ATOM 1374 O THR A 92 2.621 -1.854 -3.517 1.00 0.00 O ATOM 1375 CB THR A 92 3.670 -0.661 -6.341 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.369 -1.847 -5.948 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.591 0.543 -6.212 1.00 0.00 C ATOM 0 H THR A 92 2.190 1.362 -6.449 1.00 0.00 H new ATOM 0 HA THR A 92 1.654 -1.200 -5.792 1.00 0.00 H new ATOM 0 HB THR A 92 3.359 -0.751 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.244 -1.872 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.474 0.393 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.065 1.440 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.894 0.659 -5.171 1.00 0.00 H new ATOM 1385 N ARG A 93 3.239 0.302 -3.335 1.00 0.00 N ATOM 1386 CA ARG A 93 3.620 0.189 -1.932 1.00 0.00 C ATOM 1387 C ARG A 93 2.622 -0.676 -1.166 1.00 0.00 C ATOM 1388 O ARG A 93 3.009 -1.543 -0.383 1.00 0.00 O ATOM 1389 CB ARG A 93 3.707 1.575 -1.291 1.00 0.00 C ATOM 1390 CG ARG A 93 5.072 2.227 -1.433 1.00 0.00 C ATOM 1391 CD ARG A 93 5.361 3.171 -0.276 1.00 0.00 C ATOM 1392 NE ARG A 93 5.620 2.451 0.967 1.00 0.00 N ATOM 1393 CZ ARG A 93 5.839 3.051 2.132 1.00 0.00 C ATOM 1394 NH1 ARG A 93 5.829 4.374 2.212 1.00 0.00 N ATOM 1395 NH2 ARG A 93 6.066 2.326 3.220 1.00 0.00 N ATOM 0 H ARG A 93 3.366 1.233 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 93 4.599 -0.287 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.956 2.223 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.462 1.492 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.842 1.457 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.118 2.777 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.223 3.792 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.514 3.843 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 93 5.634 1.431 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.653 4.934 1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.997 4.832 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.072 1.308 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.234 2.787 4.114 1.00 0.00 H new ATOM 1409 N LYS A 94 1.337 -0.432 -1.398 1.00 0.00 N ATOM 1410 CA LYS A 94 0.282 -1.188 -0.731 1.00 0.00 C ATOM 1411 C LYS A 94 0.169 -2.593 -1.313 1.00 0.00 C ATOM 1412 O LYS A 94 -0.005 -3.567 -0.579 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.057 -0.460 -0.864 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.955 1.043 -0.671 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.187 1.436 0.779 1.00 0.00 C ATOM 1416 CE LYS A 94 -2.658 1.708 1.054 1.00 0.00 C ATOM 1417 NZ LYS A 94 -3.369 0.488 1.526 1.00 0.00 N ATOM 0 H LYS A 94 1.000 0.283 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 94 0.540 -1.271 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.475 -0.664 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.755 -0.865 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.030 1.386 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.687 1.543 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.835 0.639 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.601 2.325 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.748 2.494 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.135 2.078 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.180 0.297 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.718 -0.323 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.706 0.637 2.499 1.00 0.00 H new ATOM 1431 N ILE A 95 0.270 -2.692 -2.634 1.00 0.00 N ATOM 1432 CA ILE A 95 0.182 -3.979 -3.313 1.00 0.00 C ATOM 1433 C ILE A 95 1.357 -4.877 -2.944 1.00 0.00 C ATOM 1434 O ILE A 95 1.183 -5.915 -2.305 1.00 0.00 O ATOM 1435 CB ILE A 95 0.142 -3.807 -4.843 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.912 -2.769 -5.234 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.142 -5.140 -5.519 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -0.926 -2.450 -6.713 1.00 0.00 C ATOM 0 H ILE A 95 0.413 -1.896 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.746 -4.446 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 95 1.116 -3.452 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.896 -3.134 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.732 -1.851 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.167 -5.002 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.642 -5.852 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.105 -5.522 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.697 -1.707 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.046 -2.055 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.137 -3.357 -7.279 1.00 0.00 H new ATOM 1450 N TYR A 96 2.555 -4.470 -3.349 1.00 0.00 N ATOM 1451 CA TYR A 96 3.761 -5.238 -3.061 1.00 0.00 C ATOM 1452 C TYR A 96 3.689 -5.865 -1.672 1.00 0.00 C ATOM 1453 O TYR A 96 3.700 -7.088 -1.530 1.00 0.00 O ATOM 1454 CB TYR A 96 4.998 -4.344 -3.165 1.00 0.00 C ATOM 1455 CG TYR A 96 6.268 -5.008 -2.684 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.826 -6.072 -3.382 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.910 -4.571 -1.532 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.985 -6.683 -2.945 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.071 -5.175 -1.089 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.605 -6.230 -1.799 1.00 0.00 C ATOM 1461 OH TYR A 96 9.761 -6.835 -1.362 1.00 0.00 O ATOM 0 H TYR A 96 2.717 -3.613 -3.878 1.00 0.00 H new ATOM 0 HA TYR A 96 3.836 -6.038 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.129 -4.038 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.830 -3.437 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.345 -6.427 -4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.495 -3.745 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.404 -7.511 -3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.558 -4.823 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 96 10.183 -7.311 -2.107 1.00 0.00 H new ATOM 1471 N ASP A 97 3.614 -5.019 -0.651 1.00 0.00 N ATOM 1472 CA ASP A 97 3.538 -5.489 0.727 1.00 0.00 C ATOM 1473 C ASP A 97 2.492 -6.591 0.869 1.00 0.00 C ATOM 1474 O ASP A 97 2.794 -7.692 1.330 1.00 0.00 O ATOM 1475 CB ASP A 97 3.204 -4.329 1.666 1.00 0.00 C ATOM 1476 CG ASP A 97 2.864 -4.797 3.067 1.00 0.00 C ATOM 1477 OD1 ASP A 97 1.690 -5.153 3.305 1.00 0.00 O ATOM 1478 OD2 ASP A 97 3.770 -4.808 3.926 1.00 0.00 O ATOM 0 H ASP A 97 3.604 -4.004 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 97 4.511 -5.899 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.052 -3.646 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.363 -3.767 1.260 1.00 0.00 H new ATOM 1483 N PHE A 98 1.262 -6.287 0.470 1.00 0.00 N ATOM 1484 CA PHE A 98 0.171 -7.251 0.554 1.00 0.00 C ATOM 1485 C PHE A 98 0.578 -8.589 -0.056 1.00 0.00 C ATOM 1486 O PHE A 98 0.185 -9.651 0.428 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.072 -6.711 -0.157 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.230 -7.666 -0.149 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.123 -7.685 0.911 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.427 -8.546 -1.201 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.190 -8.563 0.922 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.493 -9.426 -1.196 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.375 -9.435 -0.133 1.00 0.00 C ATOM 0 H PHE A 98 0.995 -5.381 0.085 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.061 -7.408 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.377 -5.779 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.815 -6.473 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.983 -7.005 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.740 -8.544 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.878 -8.567 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.636 -10.106 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.208 -10.123 -0.127 1.00 0.00 H new ATOM 1503 N LEU A 99 1.369 -8.529 -1.122 1.00 0.00 N ATOM 1504 CA LEU A 99 1.831 -9.735 -1.800 1.00 0.00 C ATOM 1505 C LEU A 99 2.933 -10.422 -1.000 1.00 0.00 C ATOM 1506 O LEU A 99 3.041 -11.649 -1.000 1.00 0.00 O ATOM 1507 CB LEU A 99 2.340 -9.393 -3.202 1.00 0.00 C ATOM 1508 CG LEU A 99 1.337 -8.710 -4.132 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.044 -8.132 -5.347 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.254 -9.690 -4.559 1.00 0.00 C ATOM 0 H LEU A 99 1.704 -7.658 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 99 0.987 -10.420 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.212 -8.746 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.679 -10.313 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 99 0.865 -7.891 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.314 -7.650 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.782 -7.398 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.543 -8.933 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.451 -9.187 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.709 -10.529 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.273 -10.057 -3.678 1.00 0.00 H new ATOM 1522 N ILE A 100 3.747 -9.623 -0.318 1.00 0.00 N ATOM 1523 CA ILE A 100 4.838 -10.155 0.489 1.00 0.00 C ATOM 1524 C ILE A 100 4.307 -10.923 1.694 1.00 0.00 C ATOM 1525 O ILE A 100 4.888 -11.926 2.109 1.00 0.00 O ATOM 1526 CB ILE A 100 5.773 -9.034 0.980 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.439 -8.337 -0.209 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.823 -9.596 1.927 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.583 -9.125 -0.808 1.00 0.00 C ATOM 0 H ILE A 100 3.672 -8.606 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 100 5.402 -10.833 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 100 5.179 -8.298 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.690 -8.156 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.808 -7.363 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.476 -8.791 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.331 -10.050 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.415 -10.350 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.007 -8.571 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.351 -9.283 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.216 -10.089 -1.160 1.00 0.00 H new ATOM 1541 N ARG A 101 3.199 -10.446 2.251 1.00 0.00 N ATOM 1542 CA ARG A 101 2.588 -11.089 3.409 1.00 0.00 C ATOM 1543 C ARG A 101 1.655 -12.215 2.976 1.00 0.00 C ATOM 1544 O ARG A 101 1.399 -13.148 3.736 1.00 0.00 O ATOM 1545 CB ARG A 101 1.815 -10.063 4.239 1.00 0.00 C ATOM 1546 CG ARG A 101 0.692 -9.381 3.475 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.359 -8.815 4.416 1.00 0.00 C ATOM 1548 NE ARG A 101 0.038 -7.521 4.965 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.815 -6.659 5.506 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -2.107 -6.951 5.571 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -0.377 -5.501 5.984 1.00 0.00 N ATOM 0 H ARG A 101 2.706 -9.617 1.920 1.00 0.00 H new ATOM 0 HA ARG A 101 3.384 -11.515 4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.398 -10.558 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.509 -9.305 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.103 -8.579 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.227 -10.095 2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.303 -8.708 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.531 -9.517 5.232 1.00 0.00 H new ATOM 0 HE ARG A 101 1.025 -7.265 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.448 -7.840 5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.760 -6.287 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.616 -5.272 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.033 -4.840 6.399 1.00 0.00 H new ATOM 1565 N GLU A 102 1.149 -12.120 1.750 1.00 0.00 N ATOM 1566 CA GLU A 102 0.243 -13.131 1.218 1.00 0.00 C ATOM 1567 C GLU A 102 1.010 -14.379 0.790 1.00 0.00 C ATOM 1568 O GLU A 102 0.436 -15.458 0.653 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.542 -12.570 0.030 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.766 -11.767 0.435 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.974 -12.642 0.710 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.003 -13.296 1.773 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.889 -12.672 -0.140 1.00 0.00 O ATOM 0 H GLU A 102 1.351 -11.354 1.107 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.455 -13.408 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.117 -11.937 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.854 -13.395 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.534 -11.184 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.009 -11.058 -0.356 1.00 0.00 H new ATOM 1580 N GLY A 103 2.314 -14.222 0.581 1.00 0.00 N ATOM 1581 CA GLY A 103 3.140 -15.343 0.170 1.00 0.00 C ATOM 1582 C GLY A 103 3.262 -15.451 -1.337 1.00 0.00 C ATOM 1583 O GLY A 103 3.588 -16.515 -1.865 1.00 0.00 O ATOM 0 H GLY A 103 2.813 -13.339 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.134 -15.237 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.716 -16.267 0.564 1.00 0.00 H new ATOM 1587 N TYR A 104 2.999 -14.350 -2.031 1.00 0.00 N ATOM 1588 CA TYR A 104 3.078 -14.327 -3.487 1.00 0.00 C ATOM 1589 C TYR A 104 4.500 -14.027 -3.951 1.00 0.00 C ATOM 1590 O TYR A 104 4.948 -14.532 -4.981 1.00 0.00 O ATOM 1591 CB TYR A 104 2.113 -13.284 -4.054 1.00 0.00 C ATOM 1592 CG TYR A 104 0.663 -13.709 -4.002 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.196 -14.753 -4.792 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.240 -13.067 -3.165 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.128 -15.144 -4.749 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.566 -13.452 -3.114 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.005 -14.491 -3.908 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.325 -14.877 -3.861 1.00 0.00 O ATOM 0 H TYR A 104 2.729 -13.461 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 104 2.796 -15.313 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.230 -12.353 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.385 -13.075 -5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.880 -15.267 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.100 -12.252 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.475 -15.956 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.255 -12.942 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.807 -14.316 -3.218 1.00 0.00 H new ATOM 1608 N ILE A 105 5.204 -13.202 -3.184 1.00 0.00 N ATOM 1609 CA ILE A 105 6.575 -12.835 -3.515 1.00 0.00 C ATOM 1610 C ILE A 105 7.428 -12.704 -2.257 1.00 0.00 C ATOM 1611 O ILE A 105 6.905 -12.614 -1.145 1.00 0.00 O ATOM 1612 CB ILE A 105 6.630 -11.511 -4.299 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.737 -10.462 -3.634 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.210 -11.733 -5.744 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.805 -9.103 -4.296 1.00 0.00 C ATOM 0 H ILE A 105 4.848 -12.775 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 105 6.973 -13.634 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 105 7.656 -11.144 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.705 -10.813 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.025 -10.362 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.254 -10.788 -6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.883 -12.451 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.191 -12.120 -5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.147 -8.410 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.829 -8.731 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.488 -9.188 -5.336 1.00 0.00 H new ATOM 1627 N THR A 106 8.744 -12.693 -2.440 1.00 0.00 N ATOM 1628 CA THR A 106 9.670 -12.572 -1.321 1.00 0.00 C ATOM 1629 C THR A 106 10.428 -11.250 -1.374 1.00 0.00 C ATOM 1630 O THR A 106 10.513 -10.613 -2.425 1.00 0.00 O ATOM 1631 CB THR A 106 10.684 -13.731 -1.303 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.003 -14.981 -1.458 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.476 -13.738 -0.004 1.00 0.00 C ATOM 0 H THR A 106 9.193 -12.766 -3.353 1.00 0.00 H new ATOM 0 HA THR A 106 9.071 -12.608 -0.411 1.00 0.00 H new ATOM 0 HB THR A 106 11.377 -13.590 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.655 -15.712 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.185 -14.565 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.017 -12.797 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.794 -13.856 0.838 1.00 0.00 H new ATOM 1641 N LYS A 107 10.978 -10.842 -0.236 1.00 0.00 N ATOM 1642 CA LYS A 107 11.732 -9.597 -0.152 1.00 0.00 C ATOM 1643 C LYS A 107 13.161 -9.791 -0.648 1.00 0.00 C ATOM 1644 O LYS A 107 13.887 -10.654 -0.155 1.00 0.00 O ATOM 1645 CB LYS A 107 11.746 -9.081 1.288 1.00 0.00 C ATOM 1646 CG LYS A 107 11.843 -7.568 1.392 1.00 0.00 C ATOM 1647 CD LYS A 107 10.469 -6.920 1.395 1.00 0.00 C ATOM 1648 CE LYS A 107 9.910 -6.805 2.804 1.00 0.00 C ATOM 1649 NZ LYS A 107 8.818 -5.796 2.887 1.00 0.00 N ATOM 0 H LYS A 107 10.916 -11.356 0.643 1.00 0.00 H new ATOM 0 HA LYS A 107 11.242 -8.862 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.839 -9.414 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.588 -9.528 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.375 -7.299 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.427 -7.182 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.532 -5.929 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.788 -7.507 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.533 -7.776 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.711 -6.531 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.464 -5.748 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.184 -4.864 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.043 -6.070 2.251 1.00 0.00 H new ATOM 1663 N ALA A 108 13.559 -8.982 -1.624 1.00 0.00 N ATOM 1664 CA ALA A 108 14.903 -9.063 -2.183 1.00 0.00 C ATOM 1665 C ALA A 108 15.947 -8.602 -1.172 1.00 0.00 C ATOM 1666 O ALA A 108 16.950 -9.280 -0.948 1.00 0.00 O ATOM 1667 CB ALA A 108 14.996 -8.234 -3.456 1.00 0.00 C ATOM 0 H ALA A 108 12.970 -8.263 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 108 15.106 -10.106 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.005 -8.304 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.283 -8.611 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.767 -7.193 -3.230 1.00 0.00 H new