USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 57 MET CE :methyl 153:sc= 0 (180deg=-0.872) USER MOD Set 1.2: A 93 MET CE :methyl 176:sc= 0 (180deg=-0.0282) USER MOD Set 2.1: A 26 THR OG1 : rot 118:sc= 1.2 USER MOD Set 2.2: A 29 GLN : amide:sc= 0.0644 K(o=1.3,f=0.43) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0.06 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.47) USER MOD Single : A 45 THR OG1 : rot -65:sc= 1.31 USER MOD Single : A 47 THR OG1 : rot 101:sc= 0.62 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.013 (180deg=-0.185) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.829) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -126:sc= 1.21 (180deg=0.371) USER MOD Single : A 72 MET CE :methyl -166:sc=-0.00827 (180deg=-0.309) USER MOD Single : A 74 SER OG : rot 84:sc= 0.0016 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0246) USER MOD Single : A 81 THR OG1 : rot -25:sc= 0.892 USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= 1.05 (180deg=0.765) USER MOD Single : A 84 MET CE :methyl -152:sc= 0 (180deg=-0.569) USER MOD Single : A 85 ASN : amide:sc= 0.853 K(o=0.85,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.728 USER MOD Single : A 94 THR OG1 : rot 80:sc= 0.626 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.717 (180deg=0.42) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -4.140 -8.466 -26.511 1.00 0.00 N ATOM 384 CA LEU A 25 -3.756 -8.620 -25.071 1.00 0.00 C ATOM 385 C LEU A 25 -4.659 -9.792 -24.561 1.00 0.00 C ATOM 386 O LEU A 25 -5.871 -9.624 -24.384 1.00 0.00 O ATOM 387 CB LEU A 25 -4.072 -7.397 -24.169 1.00 0.00 C ATOM 388 CG LEU A 25 -3.293 -6.098 -24.486 1.00 0.00 C ATOM 389 CD1 LEU A 25 -3.803 -4.949 -23.589 1.00 0.00 C ATOM 390 CD2 LEU A 25 -1.767 -6.248 -24.337 1.00 0.00 C ATOM 0 HA LEU A 25 -2.677 -8.768 -25.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.138 -7.184 -24.241 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.872 -7.673 -23.134 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.480 -5.869 -25.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.251 -4.037 -23.817 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.865 -4.786 -23.775 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.654 -5.211 -22.542 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.283 -5.300 -24.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.528 -6.531 -23.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.409 -7.019 -25.019 1.00 0.00 H new ATOM 402 N THR A 26 -4.061 -10.978 -24.346 1.00 0.00 N ATOM 403 CA THR A 26 -4.837 -12.241 -24.083 1.00 0.00 C ATOM 404 C THR A 26 -5.450 -12.318 -22.652 1.00 0.00 C ATOM 405 O THR A 26 -6.542 -11.799 -22.416 1.00 0.00 O ATOM 406 CB THR A 26 -3.935 -13.444 -24.362 1.00 0.00 C ATOM 407 OG1 THR A 26 -2.629 -13.244 -23.810 1.00 0.00 O ATOM 408 CG2 THR A 26 -3.799 -13.576 -25.895 1.00 0.00 C ATOM 0 H THR A 26 -3.049 -11.106 -24.346 1.00 0.00 H new ATOM 0 HA THR A 26 -5.693 -12.244 -24.758 1.00 0.00 H new ATOM 0 HB THR A 26 -4.370 -14.336 -23.912 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.452 -13.929 -23.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.160 -14.427 -26.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.784 -13.728 -26.336 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.357 -12.666 -26.301 1.00 0.00 H new ATOM 416 N GLU A 27 -4.791 -13.016 -21.734 1.00 0.00 N ATOM 417 CA GLU A 27 -5.265 -13.227 -20.341 1.00 0.00 C ATOM 418 C GLU A 27 -4.145 -12.752 -19.377 1.00 0.00 C ATOM 419 O GLU A 27 -4.363 -11.806 -18.615 1.00 0.00 O ATOM 420 CB GLU A 27 -5.588 -14.705 -20.029 1.00 0.00 C ATOM 421 CG GLU A 27 -6.753 -15.244 -20.880 1.00 0.00 C ATOM 422 CD GLU A 27 -7.125 -16.648 -20.412 1.00 0.00 C ATOM 423 OE1 GLU A 27 -7.526 -16.783 -19.224 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.021 -17.597 -21.232 1.00 0.00 O ATOM 0 H GLU A 27 -3.895 -13.465 -21.925 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.188 -12.662 -20.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.701 -15.313 -20.206 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.837 -14.804 -18.973 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.615 -14.582 -20.795 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.469 -15.264 -21.932 1.00 0.00 H new ATOM 431 N GLU A 28 -2.933 -13.332 -19.490 1.00 0.00 N ATOM 432 CA GLU A 28 -1.695 -12.863 -18.808 1.00 0.00 C ATOM 433 C GLU A 28 -1.390 -11.345 -19.024 1.00 0.00 C ATOM 434 O GLU A 28 -1.229 -10.611 -18.049 1.00 0.00 O ATOM 435 CB GLU A 28 -0.470 -13.637 -19.374 1.00 0.00 C ATOM 436 CG GLU A 28 -0.665 -15.165 -19.549 1.00 0.00 C ATOM 437 CD GLU A 28 -1.357 -15.587 -20.859 1.00 0.00 C ATOM 438 OE1 GLU A 28 -1.864 -14.711 -21.614 1.00 0.00 O ATOM 439 OE2 GLU A 28 -1.401 -16.820 -21.106 1.00 0.00 O ATOM 0 H GLU A 28 -2.777 -14.157 -20.069 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.862 -13.038 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.208 -13.209 -20.342 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.380 -13.471 -18.712 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.311 -15.649 -19.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.250 -15.540 -18.709 1.00 0.00 H new ATOM 446 N GLN A 29 -1.363 -10.875 -20.289 1.00 0.00 N ATOM 447 CA GLN A 29 -1.156 -9.440 -20.616 1.00 0.00 C ATOM 448 C GLN A 29 -2.345 -8.505 -20.196 1.00 0.00 C ATOM 449 O GLN A 29 -2.122 -7.470 -19.572 1.00 0.00 O ATOM 450 CB GLN A 29 -0.949 -9.252 -22.131 1.00 0.00 C ATOM 451 CG GLN A 29 0.195 -10.104 -22.702 1.00 0.00 C ATOM 452 CD GLN A 29 0.214 -9.882 -24.216 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.654 -10.413 -24.920 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.183 -9.060 -24.710 1.00 0.00 N ATOM 0 H GLN A 29 -1.482 -11.470 -21.109 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.274 -9.153 -20.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.874 -9.504 -22.650 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.745 -8.201 -22.334 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.148 -9.815 -22.259 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.042 -11.158 -22.470 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.873 -8.650 -24.081 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.218 -8.855 -25.709 1.00 0.00 H new ATOM 463 N LYS A 30 -3.595 -8.889 -20.528 1.00 0.00 N ATOM 464 CA LYS A 30 -4.844 -8.183 -20.107 1.00 0.00 C ATOM 465 C LYS A 30 -4.991 -7.963 -18.560 1.00 0.00 C ATOM 466 O LYS A 30 -5.127 -6.815 -18.112 1.00 0.00 O ATOM 467 CB LYS A 30 -6.040 -9.005 -20.624 1.00 0.00 C ATOM 468 CG LYS A 30 -7.409 -8.314 -20.592 1.00 0.00 C ATOM 469 CD LYS A 30 -8.458 -9.187 -21.301 1.00 0.00 C ATOM 470 CE LYS A 30 -9.845 -8.544 -21.402 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.774 -9.432 -22.141 1.00 0.00 N ATOM 0 H LYS A 30 -3.778 -9.710 -21.105 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.804 -7.181 -20.534 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.831 -9.302 -21.652 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.106 -9.920 -20.035 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.711 -8.135 -19.560 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.345 -7.341 -21.079 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.103 -9.418 -22.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.547 -10.134 -20.768 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.236 -8.349 -20.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.771 -7.582 -21.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.710 -8.982 -22.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.407 -9.597 -23.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.858 -10.340 -21.641 1.00 0.00 H new ATOM 485 N GLN A 31 -4.908 -9.040 -17.747 1.00 0.00 N ATOM 486 CA GLN A 31 -4.815 -8.916 -16.263 1.00 0.00 C ATOM 487 C GLN A 31 -3.512 -8.202 -15.758 1.00 0.00 C ATOM 488 O GLN A 31 -3.614 -7.432 -14.810 1.00 0.00 O ATOM 489 CB GLN A 31 -5.016 -10.258 -15.504 1.00 0.00 C ATOM 490 CG GLN A 31 -3.868 -11.294 -15.566 1.00 0.00 C ATOM 491 CD GLN A 31 -2.871 -11.120 -14.411 1.00 0.00 C ATOM 492 OE1 GLN A 31 -3.274 -11.072 -13.244 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.547 -11.046 -14.749 1.00 0.00 N ATOM 0 H GLN A 31 -4.903 -10.002 -18.085 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.657 -8.268 -16.020 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.203 -10.026 -14.456 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.918 -10.732 -15.892 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.286 -12.300 -15.535 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.343 -11.196 -16.516 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.268 -11.091 -15.729 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.840 -10.946 -14.021 1.00 0.00 H new ATOM 502 N GLU A 32 -2.332 -8.389 -16.394 1.00 0.00 N ATOM 503 CA GLU A 32 -1.077 -7.631 -16.033 1.00 0.00 C ATOM 504 C GLU A 32 -1.236 -6.080 -16.170 1.00 0.00 C ATOM 505 O GLU A 32 -0.950 -5.378 -15.197 1.00 0.00 O ATOM 506 CB GLU A 32 0.136 -8.061 -16.880 1.00 0.00 C ATOM 507 CG GLU A 32 1.459 -7.379 -16.501 1.00 0.00 C ATOM 508 CD GLU A 32 2.561 -8.024 -17.327 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.494 -7.922 -18.582 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.472 -8.637 -16.714 1.00 0.00 O ATOM 0 H GLU A 32 -2.207 -9.052 -17.159 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.903 -7.882 -14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.261 -9.140 -16.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.078 -7.851 -17.928 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.409 -6.308 -16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.659 -7.497 -15.436 1.00 0.00 H new ATOM 517 N ILE A 33 -1.702 -5.521 -17.306 1.00 0.00 N ATOM 518 CA ILE A 33 -1.911 -4.044 -17.439 1.00 0.00 C ATOM 519 C ILE A 33 -3.045 -3.511 -16.484 1.00 0.00 C ATOM 520 O ILE A 33 -2.809 -2.487 -15.832 1.00 0.00 O ATOM 521 CB ILE A 33 -2.181 -3.709 -18.917 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.864 -3.622 -19.738 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.963 -2.391 -19.095 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.217 -4.956 -20.125 1.00 0.00 C ATOM 0 H ILE A 33 -1.942 -6.054 -18.142 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.005 -3.528 -17.121 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.792 -4.530 -19.292 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.066 -3.062 -20.651 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.140 -3.044 -19.163 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.125 -2.205 -20.157 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.925 -2.468 -18.589 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.392 -1.568 -18.665 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.693 -4.767 -20.694 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.029 -5.517 -19.223 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.912 -5.534 -20.734 1.00 0.00 H new ATOM 536 N ARG A 34 -4.234 -4.168 -16.361 1.00 0.00 N ATOM 537 CA ARG A 34 -5.249 -3.762 -15.347 1.00 0.00 C ATOM 538 C ARG A 34 -4.780 -3.907 -13.862 1.00 0.00 C ATOM 539 O ARG A 34 -4.863 -2.919 -13.132 1.00 0.00 O ATOM 540 CB ARG A 34 -6.499 -4.677 -15.453 1.00 0.00 C ATOM 541 CG ARG A 34 -7.331 -4.534 -16.747 1.00 0.00 C ATOM 542 CD ARG A 34 -8.135 -3.228 -16.888 1.00 0.00 C ATOM 543 NE ARG A 34 -9.048 -3.052 -15.704 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.769 -2.221 -14.649 1.00 0.00 C ATOM 545 NH1 ARG A 34 -7.761 -1.303 -14.712 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.487 -2.343 -13.496 1.00 0.00 N ATOM 0 H ARG A 34 -4.508 -4.963 -16.938 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.442 -2.712 -15.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.175 -5.714 -15.365 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.148 -4.473 -14.602 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.658 -4.617 -17.600 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.024 -5.373 -16.805 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.455 -2.379 -16.962 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.719 -3.249 -17.808 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.921 -3.579 -15.685 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.196 -1.224 -15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.573 -0.696 -13.914 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.222 -3.046 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.289 -1.731 -12.705 1.00 0.00 H new ATOM 560 N GLU A 35 -4.277 -5.073 -13.419 1.00 0.00 N ATOM 561 CA GLU A 35 -3.737 -5.268 -12.040 1.00 0.00 C ATOM 562 C GLU A 35 -2.504 -4.361 -11.689 1.00 0.00 C ATOM 563 O GLU A 35 -2.509 -3.765 -10.610 1.00 0.00 O ATOM 564 CB GLU A 35 -3.376 -6.758 -11.813 1.00 0.00 C ATOM 565 CG GLU A 35 -3.060 -7.184 -10.362 1.00 0.00 C ATOM 566 CD GLU A 35 -1.562 -7.335 -10.086 1.00 0.00 C ATOM 567 OE1 GLU A 35 -0.727 -6.925 -10.936 1.00 0.00 O ATOM 568 OE2 GLU A 35 -1.237 -7.888 -9.000 1.00 0.00 O ATOM 0 H GLU A 35 -4.228 -5.912 -13.997 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.536 -4.960 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.205 -7.367 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.512 -6.997 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.476 -6.446 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.558 -8.131 -10.152 1.00 0.00 H new ATOM 575 N ALA A 36 -1.510 -4.155 -12.590 1.00 0.00 N ATOM 576 CA ALA A 36 -0.393 -3.198 -12.342 1.00 0.00 C ATOM 577 C ALA A 36 -0.823 -1.699 -12.221 1.00 0.00 C ATOM 578 O ALA A 36 -0.574 -1.072 -11.182 1.00 0.00 O ATOM 579 CB ALA A 36 0.686 -3.266 -13.441 1.00 0.00 C ATOM 0 H ALA A 36 -1.456 -4.633 -13.489 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.004 -3.526 -11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.478 -2.552 -13.218 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.104 -4.272 -13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.239 -3.022 -14.405 1.00 0.00 H new ATOM 585 N PHE A 37 -1.492 -1.122 -13.244 1.00 0.00 N ATOM 586 CA PHE A 37 -1.965 0.292 -13.182 1.00 0.00 C ATOM 587 C PHE A 37 -2.970 0.594 -12.019 1.00 0.00 C ATOM 588 O PHE A 37 -2.792 1.605 -11.343 1.00 0.00 O ATOM 589 CB PHE A 37 -2.683 0.651 -14.509 1.00 0.00 C ATOM 590 CG PHE A 37 -2.752 2.138 -14.735 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.771 2.922 -14.160 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.798 2.760 -15.556 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.810 4.304 -14.373 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.870 4.130 -15.818 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.853 4.905 -15.198 1.00 0.00 C ATOM 0 H PHE A 37 -1.718 -1.601 -14.116 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.069 0.887 -13.006 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.159 0.183 -15.342 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.692 0.240 -14.496 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.528 2.452 -13.550 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.001 2.174 -15.989 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.575 4.904 -13.903 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.168 4.589 -16.498 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.874 5.973 -15.356 1.00 0.00 H new ATOM 605 N ASP A 38 -3.954 -0.281 -11.750 1.00 0.00 N ATOM 606 CA ASP A 38 -4.821 -0.196 -10.539 1.00 0.00 C ATOM 607 C ASP A 38 -4.077 -0.415 -9.165 1.00 0.00 C ATOM 608 O ASP A 38 -4.422 0.273 -8.201 1.00 0.00 O ATOM 609 CB ASP A 38 -6.015 -1.190 -10.521 1.00 0.00 C ATOM 610 CG ASP A 38 -7.109 -0.834 -11.527 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.855 -0.074 -12.498 1.00 0.00 O ATOM 612 OD2 ASP A 38 -8.246 -1.354 -11.353 1.00 0.00 O ATOM 0 H ASP A 38 -4.179 -1.069 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.171 0.833 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.647 -2.194 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.445 -1.214 -9.520 1.00 0.00 H new ATOM 617 N LEU A 39 -3.048 -1.300 -9.034 1.00 0.00 N ATOM 618 CA LEU A 39 -2.178 -1.379 -7.835 1.00 0.00 C ATOM 619 C LEU A 39 -1.527 -0.008 -7.433 1.00 0.00 C ATOM 620 O LEU A 39 -1.553 0.368 -6.258 1.00 0.00 O ATOM 621 CB LEU A 39 -1.011 -2.395 -7.947 1.00 0.00 C ATOM 622 CG LEU A 39 -1.376 -3.858 -7.605 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.217 -4.794 -7.994 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.755 -4.051 -6.122 1.00 0.00 C ATOM 0 H LEU A 39 -2.803 -1.975 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.885 -1.710 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.619 -2.363 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.206 -2.074 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.262 -4.112 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.482 -5.823 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.027 -4.713 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.680 -4.510 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.001 -5.098 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.914 -3.763 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.618 -3.429 -5.883 1.00 0.00 H new ATOM 636 N PHE A 40 -0.942 0.710 -8.411 1.00 0.00 N ATOM 637 CA PHE A 40 -0.347 2.056 -8.186 1.00 0.00 C ATOM 638 C PHE A 40 -1.416 3.209 -8.156 1.00 0.00 C ATOM 639 O PHE A 40 -1.309 4.096 -7.307 1.00 0.00 O ATOM 640 CB PHE A 40 0.782 2.345 -9.185 1.00 0.00 C ATOM 641 CG PHE A 40 1.841 1.276 -9.013 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.599 1.211 -7.828 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.034 0.281 -9.986 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.517 0.176 -7.619 1.00 0.00 C ATOM 645 CE2 PHE A 40 2.940 -0.765 -9.775 1.00 0.00 C ATOM 646 CZ PHE A 40 3.682 -0.818 -8.591 1.00 0.00 C ATOM 0 H PHE A 40 -0.865 0.383 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 40 0.091 2.034 -7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.399 2.342 -10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.205 3.334 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.470 1.970 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.476 0.324 -10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.098 0.144 -6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.066 -1.531 -10.526 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.381 -1.624 -8.427 1.00 0.00 H new ATOM 656 N ASP A 41 -2.467 3.196 -9.008 1.00 0.00 N ATOM 657 CA ASP A 41 -3.632 4.124 -8.896 1.00 0.00 C ATOM 658 C ASP A 41 -4.657 3.585 -7.829 1.00 0.00 C ATOM 659 O ASP A 41 -5.727 3.063 -8.152 1.00 0.00 O ATOM 660 CB ASP A 41 -4.343 4.352 -10.259 1.00 0.00 C ATOM 661 CG ASP A 41 -5.323 5.524 -10.209 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.533 6.102 -9.108 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.870 5.889 -11.283 1.00 0.00 O ATOM 0 H ASP A 41 -2.538 2.547 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.244 5.090 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.596 4.538 -11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.877 3.446 -10.545 1.00 0.00 H new ATOM 668 N ALA A 42 -4.302 3.708 -6.536 1.00 0.00 N ATOM 669 CA ALA A 42 -5.065 3.048 -5.428 1.00 0.00 C ATOM 670 C ALA A 42 -6.448 3.671 -5.061 1.00 0.00 C ATOM 671 O ALA A 42 -7.429 2.938 -4.895 1.00 0.00 O ATOM 672 CB ALA A 42 -4.234 3.022 -4.131 1.00 0.00 C ATOM 0 H ALA A 42 -3.499 4.252 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.261 2.056 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.808 2.538 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.311 2.467 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.994 4.042 -3.832 1.00 0.00 H new ATOM 678 N ASP A 43 -6.523 5.002 -4.912 1.00 0.00 N ATOM 679 CA ASP A 43 -7.779 5.724 -4.564 1.00 0.00 C ATOM 680 C ASP A 43 -8.750 6.034 -5.766 1.00 0.00 C ATOM 681 O ASP A 43 -9.915 6.367 -5.531 1.00 0.00 O ATOM 682 CB ASP A 43 -7.482 7.101 -3.915 1.00 0.00 C ATOM 683 CG ASP A 43 -6.713 6.912 -2.610 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.295 6.325 -1.659 1.00 0.00 O ATOM 685 OD2 ASP A 43 -5.534 7.354 -2.547 1.00 0.00 O ATOM 0 H ASP A 43 -5.719 5.619 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.268 5.022 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.902 7.718 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.416 7.630 -3.723 1.00 0.00 H new ATOM 690 N GLY A 44 -8.292 5.942 -7.030 1.00 0.00 N ATOM 691 CA GLY A 44 -9.074 6.333 -8.229 1.00 0.00 C ATOM 692 C GLY A 44 -8.734 7.762 -8.685 1.00 0.00 C ATOM 693 O GLY A 44 -9.458 8.704 -8.360 1.00 0.00 O ATOM 0 H GLY A 44 -7.361 5.591 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.872 5.634 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.139 6.265 -8.008 1.00 0.00 H new ATOM 697 N THR A 45 -7.621 7.913 -9.417 1.00 0.00 N ATOM 698 CA THR A 45 -7.039 9.249 -9.749 1.00 0.00 C ATOM 699 C THR A 45 -6.930 9.464 -11.291 1.00 0.00 C ATOM 700 O THR A 45 -7.617 10.343 -11.822 1.00 0.00 O ATOM 701 CB THR A 45 -5.712 9.532 -9.041 1.00 0.00 C ATOM 702 OG1 THR A 45 -4.684 8.599 -9.361 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.932 9.538 -7.513 1.00 0.00 C ATOM 0 H THR A 45 -7.093 7.129 -9.799 1.00 0.00 H new ATOM 0 HA THR A 45 -7.743 9.984 -9.359 1.00 0.00 H new ATOM 0 HB THR A 45 -5.376 10.507 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.936 7.710 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.986 9.740 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.654 10.312 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.311 8.567 -7.196 1.00 0.00 H new ATOM 711 N GLY A 46 -6.060 8.725 -12.007 1.00 0.00 N ATOM 712 CA GLY A 46 -5.749 9.032 -13.437 1.00 0.00 C ATOM 713 C GLY A 46 -4.332 8.622 -13.880 1.00 0.00 C ATOM 714 O GLY A 46 -4.193 7.915 -14.881 1.00 0.00 O ATOM 0 H GLY A 46 -5.560 7.918 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.476 8.525 -14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.873 10.102 -13.602 1.00 0.00 H new ATOM 718 N THR A 47 -3.293 9.155 -13.209 1.00 0.00 N ATOM 719 CA THR A 47 -1.870 8.945 -13.605 1.00 0.00 C ATOM 720 C THR A 47 -1.080 8.080 -12.578 1.00 0.00 C ATOM 721 O THR A 47 -1.190 8.223 -11.357 1.00 0.00 O ATOM 722 CB THR A 47 -1.080 10.226 -13.877 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.001 11.084 -12.741 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.744 10.980 -15.046 1.00 0.00 C ATOM 0 H THR A 47 -3.405 9.741 -12.382 1.00 0.00 H new ATOM 0 HA THR A 47 -1.958 8.409 -14.550 1.00 0.00 H new ATOM 0 HB THR A 47 -0.059 9.936 -14.125 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.128 10.976 -12.310 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.190 11.896 -15.250 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.741 10.349 -15.935 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.772 11.229 -14.781 1.00 0.00 H new ATOM 732 N ILE A 48 -0.219 7.218 -13.135 1.00 0.00 N ATOM 733 CA ILE A 48 0.800 6.445 -12.375 1.00 0.00 C ATOM 734 C ILE A 48 2.144 7.156 -12.755 1.00 0.00 C ATOM 735 O ILE A 48 2.546 7.219 -13.925 1.00 0.00 O ATOM 736 CB ILE A 48 0.855 4.955 -12.739 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.013 4.229 -12.015 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.928 4.738 -14.266 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.153 2.756 -12.414 1.00 0.00 C ATOM 0 H ILE A 48 -0.202 7.028 -14.137 1.00 0.00 H new ATOM 0 HA ILE A 48 0.575 6.442 -11.308 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.078 4.512 -12.391 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.948 4.746 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.855 4.293 -10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.965 3.670 -14.480 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.046 5.172 -14.738 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.824 5.219 -14.659 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.984 2.309 -11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.232 2.225 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.342 2.686 -13.485 1.00 0.00 H new ATOM 751 N ASP A 49 2.816 7.703 -11.733 1.00 0.00 N ATOM 752 CA ASP A 49 3.991 8.608 -11.925 1.00 0.00 C ATOM 753 C ASP A 49 5.352 7.876 -11.729 1.00 0.00 C ATOM 754 O ASP A 49 5.468 6.832 -11.087 1.00 0.00 O ATOM 755 CB ASP A 49 3.924 9.869 -11.025 1.00 0.00 C ATOM 756 CG ASP A 49 2.891 10.870 -11.566 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.694 10.502 -11.734 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.300 12.033 -11.830 1.00 0.00 O ATOM 0 H ASP A 49 2.576 7.542 -10.755 1.00 0.00 H new ATOM 0 HA ASP A 49 3.935 8.934 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.660 9.582 -10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.905 10.341 -10.979 1.00 0.00 H new ATOM 763 N VAL A 50 6.378 8.485 -12.353 1.00 0.00 N ATOM 764 CA VAL A 50 7.757 7.965 -12.561 1.00 0.00 C ATOM 765 C VAL A 50 8.369 6.972 -11.510 1.00 0.00 C ATOM 766 O VAL A 50 8.825 5.911 -11.932 1.00 0.00 O ATOM 767 CB VAL A 50 8.726 9.098 -12.906 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.877 10.104 -11.744 1.00 0.00 C ATOM 769 CG2 VAL A 50 10.075 8.550 -13.424 1.00 0.00 C ATOM 0 H VAL A 50 6.266 9.416 -12.755 1.00 0.00 H new ATOM 0 HA VAL A 50 7.616 7.298 -13.412 1.00 0.00 H new ATOM 0 HB VAL A 50 8.294 9.666 -13.729 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.574 10.891 -12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.906 10.544 -11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.258 9.588 -10.863 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.739 9.382 -13.660 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.533 7.926 -12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.906 7.955 -14.322 1.00 0.00 H new ATOM 779 N LYS A 51 8.369 7.243 -10.194 1.00 0.00 N ATOM 780 CA LYS A 51 8.744 6.219 -9.156 1.00 0.00 C ATOM 781 C LYS A 51 7.928 4.869 -9.209 1.00 0.00 C ATOM 782 O LYS A 51 8.479 3.773 -9.405 1.00 0.00 O ATOM 783 CB LYS A 51 8.552 6.795 -7.730 1.00 0.00 C ATOM 784 CG LYS A 51 9.282 8.127 -7.488 1.00 0.00 C ATOM 785 CD LYS A 51 8.942 8.737 -6.116 1.00 0.00 C ATOM 786 CE LYS A 51 9.550 10.132 -5.911 1.00 0.00 C ATOM 787 NZ LYS A 51 9.121 10.724 -4.622 1.00 0.00 N ATOM 0 H LYS A 51 8.118 8.153 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 51 9.784 5.989 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.487 6.938 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.904 6.063 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.358 7.967 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.015 8.834 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.859 8.800 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.300 8.072 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.638 10.064 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.251 10.785 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.548 11.666 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.085 10.810 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.428 10.112 -3.839 1.00 0.00 H new ATOM 801 N GLU A 52 6.603 4.999 -9.039 1.00 0.00 N ATOM 802 CA GLU A 52 5.627 3.878 -9.135 1.00 0.00 C ATOM 803 C GLU A 52 5.541 3.270 -10.579 1.00 0.00 C ATOM 804 O GLU A 52 5.496 2.045 -10.716 1.00 0.00 O ATOM 805 CB GLU A 52 4.240 4.387 -8.711 1.00 0.00 C ATOM 806 CG GLU A 52 4.270 4.979 -7.290 1.00 0.00 C ATOM 807 CD GLU A 52 2.874 5.452 -6.904 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.974 4.583 -6.796 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.702 6.685 -6.712 1.00 0.00 O ATOM 0 H GLU A 52 6.163 5.895 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 52 5.972 3.083 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.898 5.145 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.522 3.568 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.620 4.230 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.972 5.812 -7.247 1.00 0.00 H new ATOM 816 N LEU A 53 5.585 4.087 -11.657 1.00 0.00 N ATOM 817 CA LEU A 53 5.736 3.589 -13.050 1.00 0.00 C ATOM 818 C LEU A 53 7.058 2.780 -13.327 1.00 0.00 C ATOM 819 O LEU A 53 7.013 1.778 -14.035 1.00 0.00 O ATOM 820 CB LEU A 53 5.697 4.780 -14.038 1.00 0.00 C ATOM 821 CG LEU A 53 5.695 4.414 -15.540 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.492 3.532 -15.926 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.761 5.693 -16.396 1.00 0.00 C ATOM 0 H LEU A 53 5.518 5.103 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 53 4.904 2.900 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.806 5.372 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.558 5.418 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 53 6.585 3.817 -15.740 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.536 3.302 -16.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.522 2.605 -15.353 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.566 4.064 -15.708 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.759 5.424 -17.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.896 6.321 -16.180 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.674 6.240 -16.163 1.00 0.00 H new ATOM 835 N LYS A 54 8.218 3.164 -12.758 1.00 0.00 N ATOM 836 CA LYS A 54 9.478 2.366 -12.810 1.00 0.00 C ATOM 837 C LYS A 54 9.388 0.953 -12.160 1.00 0.00 C ATOM 838 O LYS A 54 9.734 -0.020 -12.832 1.00 0.00 O ATOM 839 CB LYS A 54 10.683 3.134 -12.225 1.00 0.00 C ATOM 840 CG LYS A 54 12.035 2.634 -12.762 1.00 0.00 C ATOM 841 CD LYS A 54 13.207 3.544 -12.364 1.00 0.00 C ATOM 842 CE LYS A 54 14.526 3.219 -13.083 1.00 0.00 C ATOM 843 NZ LYS A 54 14.418 3.443 -14.546 1.00 0.00 N ATOM 0 H LYS A 54 8.317 4.040 -12.245 1.00 0.00 H new ATOM 0 HA LYS A 54 9.634 2.205 -13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.577 4.194 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.673 3.041 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.219 1.627 -12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.986 2.566 -13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.937 4.579 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.364 3.467 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.325 3.839 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.800 2.181 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.367 3.430 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.839 2.691 -14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.972 4.365 -14.724 1.00 0.00 H new ATOM 857 N VAL A 55 8.917 0.813 -10.899 1.00 0.00 N ATOM 858 CA VAL A 55 8.602 -0.550 -10.321 1.00 0.00 C ATOM 859 C VAL A 55 7.491 -1.335 -11.117 1.00 0.00 C ATOM 860 O VAL A 55 7.591 -2.562 -11.262 1.00 0.00 O ATOM 861 CB VAL A 55 8.305 -0.531 -8.827 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.592 -0.117 -8.083 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.139 0.416 -8.498 1.00 0.00 C ATOM 0 H VAL A 55 8.745 1.592 -10.264 1.00 0.00 H new ATOM 0 HA VAL A 55 9.530 -1.107 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 55 7.996 -1.525 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.401 -0.097 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.383 -0.835 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.901 0.874 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.954 0.405 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.393 1.428 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.243 0.086 -9.024 1.00 0.00 H new ATOM 873 N ALA A 56 6.501 -0.627 -11.694 1.00 0.00 N ATOM 874 CA ALA A 56 5.528 -1.232 -12.653 1.00 0.00 C ATOM 875 C ALA A 56 6.175 -1.805 -13.961 1.00 0.00 C ATOM 876 O ALA A 56 5.888 -2.940 -14.351 1.00 0.00 O ATOM 877 CB ALA A 56 4.432 -0.242 -13.092 1.00 0.00 C ATOM 0 H ALA A 56 6.345 0.366 -11.519 1.00 0.00 H new ATOM 0 HA ALA A 56 5.103 -2.054 -12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.754 -0.735 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.874 0.094 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.892 0.617 -13.581 1.00 0.00 H new ATOM 883 N MET A 57 7.090 -1.041 -14.590 1.00 0.00 N ATOM 884 CA MET A 57 7.947 -1.522 -15.710 1.00 0.00 C ATOM 885 C MET A 57 8.986 -2.629 -15.311 1.00 0.00 C ATOM 886 O MET A 57 9.327 -3.431 -16.178 1.00 0.00 O ATOM 887 CB MET A 57 8.577 -0.333 -16.447 1.00 0.00 C ATOM 888 CG MET A 57 7.487 0.528 -17.128 1.00 0.00 C ATOM 889 SD MET A 57 8.093 2.019 -17.970 1.00 0.00 S ATOM 890 CE MET A 57 6.633 2.278 -19.016 1.00 0.00 C ATOM 0 H MET A 57 7.262 -0.067 -14.340 1.00 0.00 H new ATOM 0 HA MET A 57 7.288 -2.042 -16.406 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.144 0.278 -15.744 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.282 -0.695 -17.195 1.00 0.00 H new ATOM 0 HG2 MET A 57 6.959 -0.090 -17.854 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.759 0.827 -16.374 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.543 3.337 -19.259 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.738 1.702 -19.936 1.00 0.00 H new ATOM 0 HE3 MET A 57 5.741 1.951 -18.483 1.00 0.00 H new ATOM 900 N ARG A 58 9.487 -2.714 -14.053 1.00 0.00 N ATOM 901 CA ARG A 58 10.297 -3.887 -13.587 1.00 0.00 C ATOM 902 C ARG A 58 9.453 -5.222 -13.640 1.00 0.00 C ATOM 903 O ARG A 58 9.925 -6.197 -14.228 1.00 0.00 O ATOM 904 CB ARG A 58 10.805 -3.768 -12.131 1.00 0.00 C ATOM 905 CG ARG A 58 11.792 -2.617 -11.895 1.00 0.00 C ATOM 906 CD ARG A 58 12.215 -2.529 -10.422 1.00 0.00 C ATOM 907 NE ARG A 58 12.993 -1.262 -10.206 1.00 0.00 N ATOM 908 CZ ARG A 58 13.415 -0.858 -8.968 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.177 -1.627 -7.866 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.078 0.328 -8.836 1.00 0.00 N ATOM 0 H ARG A 58 9.350 -1.995 -13.342 1.00 0.00 H new ATOM 0 HA ARG A 58 11.148 -3.903 -14.268 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.948 -3.637 -11.470 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.285 -4.705 -11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.674 -2.759 -12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.334 -1.676 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.336 -2.545 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.823 -3.393 -10.153 1.00 0.00 H new ATOM 0 HE ARG A 58 13.216 -0.680 -11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.680 -2.513 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.496 -1.316 -6.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.256 0.907 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.395 0.635 -7.917 1.00 0.00 H new ATOM 924 N ALA A 59 8.221 -5.267 -13.062 1.00 0.00 N ATOM 925 CA ALA A 59 7.287 -6.414 -13.263 1.00 0.00 C ATOM 926 C ALA A 59 6.819 -6.691 -14.739 1.00 0.00 C ATOM 927 O ALA A 59 6.928 -7.827 -15.204 1.00 0.00 O ATOM 928 CB ALA A 59 6.005 -6.227 -12.428 1.00 0.00 C ATOM 0 H ALA A 59 7.853 -4.531 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 59 7.889 -7.267 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.339 -7.074 -12.590 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.265 -6.166 -11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.504 -5.308 -12.732 1.00 0.00 H new ATOM 934 N LEU A 60 6.326 -5.671 -15.466 1.00 0.00 N ATOM 935 CA LEU A 60 5.780 -5.816 -16.853 1.00 0.00 C ATOM 936 C LEU A 60 6.844 -5.982 -17.982 1.00 0.00 C ATOM 937 O LEU A 60 6.630 -6.764 -18.908 1.00 0.00 O ATOM 938 CB LEU A 60 4.926 -4.557 -17.164 1.00 0.00 C ATOM 939 CG LEU A 60 4.043 -4.586 -18.435 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.776 -3.741 -18.208 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.764 -4.113 -19.715 1.00 0.00 C ATOM 0 H LEU A 60 6.289 -4.713 -15.117 1.00 0.00 H new ATOM 0 HA LEU A 60 5.206 -6.743 -16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.277 -4.372 -16.308 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.601 -3.705 -17.243 1.00 0.00 H new ATOM 0 HG LEU A 60 3.786 -5.632 -18.602 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.158 -3.764 -19.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.213 -4.148 -17.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.060 -2.711 -17.990 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.077 -4.164 -20.560 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.102 -3.085 -19.583 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.623 -4.756 -19.907 1.00 0.00 H new ATOM 953 N GLY A 61 7.967 -5.243 -17.932 1.00 0.00 N ATOM 954 CA GLY A 61 9.078 -5.361 -18.915 1.00 0.00 C ATOM 955 C GLY A 61 9.693 -6.758 -19.172 1.00 0.00 C ATOM 956 O GLY A 61 10.020 -7.036 -20.326 1.00 0.00 O ATOM 0 H GLY A 61 8.137 -4.543 -17.210 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.718 -4.977 -19.869 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.881 -4.701 -18.588 1.00 0.00 H new ATOM 960 N PHE A 62 9.852 -7.612 -18.132 1.00 0.00 N ATOM 961 CA PHE A 62 10.341 -9.027 -18.267 1.00 0.00 C ATOM 962 C PHE A 62 11.885 -9.092 -18.566 1.00 0.00 C ATOM 963 O PHE A 62 12.453 -8.155 -19.139 1.00 0.00 O ATOM 964 CB PHE A 62 9.616 -9.924 -19.312 1.00 0.00 C ATOM 965 CG PHE A 62 8.117 -9.871 -19.223 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.444 -10.126 -18.015 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.360 -9.613 -20.382 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.044 -10.118 -17.967 1.00 0.00 C ATOM 969 CE2 PHE A 62 5.962 -9.607 -20.337 1.00 0.00 C ATOM 970 CZ PHE A 62 5.304 -9.863 -19.129 1.00 0.00 C ATOM 0 H PHE A 62 9.647 -7.348 -17.168 1.00 0.00 H new ATOM 0 HA PHE A 62 10.100 -9.438 -17.287 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.922 -9.619 -20.313 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.942 -10.956 -19.179 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.010 -10.329 -17.118 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.865 -9.417 -21.317 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.535 -10.308 -17.034 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.392 -9.405 -21.232 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.225 -9.864 -19.092 1.00 0.00 H new ATOM 980 N GLU A 63 12.594 -10.176 -18.171 1.00 0.00 N ATOM 981 CA GLU A 63 14.047 -10.371 -18.590 1.00 0.00 C ATOM 982 C GLU A 63 14.349 -11.815 -19.459 1.00 0.00 C ATOM 983 O GLU A 63 14.839 -12.285 -18.433 1.00 0.00 O ATOM 984 CB GLU A 63 14.991 -10.200 -17.351 1.00 0.00 C ATOM 985 CG GLU A 63 14.903 -8.839 -16.622 1.00 0.00 C ATOM 986 CD GLU A 63 15.592 -7.734 -17.409 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.812 -7.873 -17.698 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.934 -6.703 -17.718 1.00 0.00 O ATOM 0 H GLU A 63 12.220 -10.920 -17.582 1.00 0.00 H new ATOM 0 HA GLU A 63 14.272 -9.586 -19.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.766 -10.990 -16.635 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.020 -10.350 -17.678 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.857 -8.577 -16.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.361 -8.924 -15.636 1.00 0.00 H new ATOM 995 N PRO A 64 13.808 -11.190 -20.555 1.00 0.00 N ATOM 996 CA PRO A 64 13.421 -10.930 -22.005 1.00 0.00 C ATOM 997 C PRO A 64 13.081 -9.387 -22.075 1.00 0.00 C ATOM 998 O PRO A 64 11.921 -8.980 -21.932 1.00 0.00 O ATOM 999 CB PRO A 64 12.357 -11.849 -22.612 1.00 0.00 C ATOM 1000 CG PRO A 64 12.312 -12.933 -21.586 1.00 0.00 C ATOM 1001 CD PRO A 64 12.537 -12.042 -20.372 1.00 0.00 C ATOM 0 HA PRO A 64 14.256 -11.191 -22.656 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.396 -11.349 -22.728 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.644 -12.221 -23.595 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.360 -13.462 -21.561 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.091 -13.684 -21.719 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.674 -11.392 -20.226 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.629 -12.655 -19.476 1.00 0.00 H new ATOM 1009 N LYS A 65 14.071 -8.507 -22.321 1.00 0.00 N ATOM 1010 CA LYS A 65 13.864 -7.028 -22.180 1.00 0.00 C ATOM 1011 C LYS A 65 13.053 -6.330 -23.326 1.00 0.00 C ATOM 1012 O LYS A 65 12.087 -5.624 -23.023 1.00 0.00 O ATOM 1013 CB LYS A 65 15.217 -6.281 -22.084 1.00 0.00 C ATOM 1014 CG LYS A 65 16.188 -6.921 -21.077 1.00 0.00 C ATOM 1015 CD LYS A 65 17.483 -6.118 -20.863 1.00 0.00 C ATOM 1016 CE LYS A 65 17.319 -4.842 -20.021 1.00 0.00 C ATOM 1017 NZ LYS A 65 16.986 -5.155 -18.615 1.00 0.00 N ATOM 0 H LYS A 65 15.011 -8.775 -22.614 1.00 0.00 H new ATOM 0 HA LYS A 65 13.272 -6.958 -21.267 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.685 -6.260 -23.068 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.034 -5.246 -21.796 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.680 -7.035 -20.119 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.446 -7.922 -21.422 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.218 -6.763 -20.381 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.889 -5.844 -21.837 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.241 -4.261 -20.056 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.534 -4.220 -20.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.033 -4.286 -18.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.025 -5.550 -18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.665 -5.849 -18.244 1.00 0.00 H new ATOM 1031 N LYS A 66 13.462 -6.466 -24.610 1.00 0.00 N ATOM 1032 CA LYS A 66 12.863 -5.740 -25.781 1.00 0.00 C ATOM 1033 C LYS A 66 13.035 -4.174 -25.762 1.00 0.00 C ATOM 1034 O LYS A 66 13.310 -3.537 -24.738 1.00 0.00 O ATOM 1035 CB LYS A 66 11.341 -5.998 -26.002 1.00 0.00 C ATOM 1036 CG LYS A 66 10.850 -7.443 -25.801 1.00 0.00 C ATOM 1037 CD LYS A 66 11.359 -8.463 -26.829 1.00 0.00 C ATOM 1038 CE LYS A 66 10.738 -9.849 -26.595 1.00 0.00 C ATOM 1039 NZ LYS A 66 11.167 -10.823 -27.625 1.00 0.00 N ATOM 0 H LYS A 66 14.225 -7.088 -24.876 1.00 0.00 H new ATOM 0 HA LYS A 66 13.448 -6.172 -26.593 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.784 -5.352 -25.324 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.087 -5.690 -27.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.149 -7.775 -24.807 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.760 -7.444 -25.823 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.118 -8.120 -27.835 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.445 -8.534 -26.767 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.023 -10.214 -25.608 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.651 -9.767 -26.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.728 -11.746 -27.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.873 -10.487 -28.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.202 -10.920 -27.601 1.00 0.00 H new ATOM 1053 N GLU A 67 12.889 -3.552 -26.950 1.00 0.00 N ATOM 1054 CA GLU A 67 13.049 -2.080 -27.126 1.00 0.00 C ATOM 1055 C GLU A 67 11.725 -1.299 -26.828 1.00 0.00 C ATOM 1056 O GLU A 67 11.015 -0.843 -27.739 1.00 0.00 O ATOM 1057 CB GLU A 67 13.481 -1.700 -28.558 1.00 0.00 C ATOM 1058 CG GLU A 67 14.874 -2.226 -28.942 1.00 0.00 C ATOM 1059 CD GLU A 67 15.236 -1.681 -30.321 1.00 0.00 C ATOM 1060 OE1 GLU A 67 15.281 -0.428 -30.462 1.00 0.00 O ATOM 1061 OE2 GLU A 67 15.452 -2.499 -31.249 1.00 0.00 O ATOM 0 H GLU A 67 12.659 -4.045 -27.813 1.00 0.00 H new ATOM 0 HA GLU A 67 13.824 -1.801 -26.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.748 -2.089 -29.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.473 -0.614 -28.655 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.613 -1.912 -28.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.877 -3.316 -28.953 1.00 0.00 H new ATOM 1068 N GLU A 68 11.415 -1.097 -25.536 1.00 0.00 N ATOM 1069 CA GLU A 68 10.214 -0.320 -25.127 1.00 0.00 C ATOM 1070 C GLU A 68 10.358 0.409 -23.762 1.00 0.00 C ATOM 1071 O GLU A 68 10.069 1.605 -23.741 1.00 0.00 O ATOM 1072 CB GLU A 68 8.923 -1.174 -25.123 1.00 0.00 C ATOM 1073 CG GLU A 68 9.005 -2.510 -24.368 1.00 0.00 C ATOM 1074 CD GLU A 68 7.716 -3.268 -24.661 1.00 0.00 C ATOM 1075 OE1 GLU A 68 6.648 -2.832 -24.156 1.00 0.00 O ATOM 1076 OE2 GLU A 68 7.781 -4.265 -25.426 1.00 0.00 O ATOM 0 H GLU A 68 11.969 -1.454 -24.757 1.00 0.00 H new ATOM 0 HA GLU A 68 10.130 0.448 -25.896 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.119 -0.581 -24.687 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.643 -1.379 -26.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.872 -3.084 -24.694 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.118 -2.341 -23.297 1.00 0.00 H new ATOM 1083 N ILE A 69 10.790 -0.192 -22.640 1.00 0.00 N ATOM 1084 CA ILE A 69 10.700 0.484 -21.303 1.00 0.00 C ATOM 1085 C ILE A 69 11.708 1.674 -21.106 1.00 0.00 C ATOM 1086 O ILE A 69 11.289 2.698 -20.554 1.00 0.00 O ATOM 1087 CB ILE A 69 11.073 -0.586 -20.270 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.123 -1.818 -20.333 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.200 -0.010 -18.843 1.00 0.00 C ATOM 1090 CD1 ILE A 69 8.625 -1.507 -20.262 1.00 0.00 C ATOM 0 H ILE A 69 11.200 -1.126 -22.614 1.00 0.00 H new ATOM 0 HA ILE A 69 9.697 0.899 -21.206 1.00 0.00 H new ATOM 0 HB ILE A 69 12.066 -0.946 -20.540 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.320 -2.358 -21.259 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.375 -2.490 -19.513 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.465 -0.809 -18.150 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.975 0.756 -18.828 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.249 0.430 -18.542 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.058 -2.436 -20.314 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.403 -0.999 -19.324 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.347 -0.865 -21.097 1.00 0.00 H new ATOM 1102 N LYS A 70 12.980 1.609 -21.580 1.00 0.00 N ATOM 1103 CA LYS A 70 13.880 2.811 -21.601 1.00 0.00 C ATOM 1104 C LYS A 70 13.354 3.944 -22.564 1.00 0.00 C ATOM 1105 O LYS A 70 13.354 5.119 -22.177 1.00 0.00 O ATOM 1106 CB LYS A 70 15.325 2.448 -22.025 1.00 0.00 C ATOM 1107 CG LYS A 70 16.329 3.605 -21.871 1.00 0.00 C ATOM 1108 CD LYS A 70 17.769 3.224 -22.249 1.00 0.00 C ATOM 1109 CE LYS A 70 18.740 4.406 -22.105 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.123 4.026 -22.480 1.00 0.00 N ATOM 0 H LYS A 70 13.406 0.759 -21.948 1.00 0.00 H new ATOM 0 HA LYS A 70 13.880 3.183 -20.577 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.666 1.602 -21.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.317 2.123 -23.065 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.007 4.440 -22.494 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.313 3.954 -20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.104 2.402 -21.616 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.789 2.863 -23.277 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.406 5.231 -22.734 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.727 4.765 -21.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.751 4.848 -22.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.451 3.256 -21.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.139 3.707 -23.470 1.00 0.00 H new ATOM 1124 N LYS A 71 12.880 3.589 -23.781 1.00 0.00 N ATOM 1125 CA LYS A 71 12.159 4.529 -24.687 1.00 0.00 C ATOM 1126 C LYS A 71 10.870 5.156 -24.050 1.00 0.00 C ATOM 1127 O LYS A 71 10.779 6.378 -24.038 1.00 0.00 O ATOM 1128 CB LYS A 71 11.767 3.864 -26.027 1.00 0.00 C ATOM 1129 CG LYS A 71 12.989 3.326 -26.790 1.00 0.00 C ATOM 1130 CD LYS A 71 12.661 2.765 -28.184 1.00 0.00 C ATOM 1131 CE LYS A 71 13.916 2.249 -28.905 1.00 0.00 C ATOM 1132 NZ LYS A 71 13.599 1.658 -30.226 1.00 0.00 N ATOM 0 H LYS A 71 12.983 2.650 -24.166 1.00 0.00 H new ATOM 0 HA LYS A 71 12.877 5.330 -24.865 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.072 3.046 -25.835 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.242 4.588 -26.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.720 4.128 -26.895 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.459 2.542 -26.196 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.939 1.954 -28.088 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.190 3.542 -28.786 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.621 3.070 -29.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.409 1.502 -28.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.987 0.694 -30.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.567 1.623 -30.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.020 2.241 -30.977 1.00 0.00 H new ATOM 1146 N MET A 72 9.926 4.378 -23.474 1.00 0.00 N ATOM 1147 CA MET A 72 8.691 4.925 -22.827 1.00 0.00 C ATOM 1148 C MET A 72 8.976 5.906 -21.630 1.00 0.00 C ATOM 1149 O MET A 72 8.368 6.981 -21.620 1.00 0.00 O ATOM 1150 CB MET A 72 7.694 3.828 -22.382 1.00 0.00 C ATOM 1151 CG MET A 72 6.693 3.378 -23.476 1.00 0.00 C ATOM 1152 SD MET A 72 7.363 2.548 -24.962 1.00 0.00 S ATOM 1153 CE MET A 72 7.535 3.979 -26.073 1.00 0.00 C ATOM 0 H MET A 72 9.989 3.361 -23.439 1.00 0.00 H new ATOM 0 HA MET A 72 8.224 5.507 -23.622 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.259 2.958 -22.046 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.132 4.194 -21.523 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.973 2.704 -23.013 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.140 4.258 -23.805 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.692 3.630 -27.094 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.629 4.583 -26.031 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.387 4.582 -25.760 1.00 0.00 H new ATOM 1163 N ILE A 73 9.898 5.618 -20.667 1.00 0.00 N ATOM 1164 CA ILE A 73 10.294 6.614 -19.606 1.00 0.00 C ATOM 1165 C ILE A 73 10.925 7.914 -20.229 1.00 0.00 C ATOM 1166 O ILE A 73 10.391 8.995 -19.986 1.00 0.00 O ATOM 1167 CB ILE A 73 11.275 6.006 -18.597 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.649 4.801 -17.846 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.800 7.064 -17.596 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.508 5.161 -16.885 1.00 0.00 C ATOM 0 H ILE A 73 10.379 4.721 -20.596 1.00 0.00 H new ATOM 0 HA ILE A 73 9.376 6.886 -19.086 1.00 0.00 H new ATOM 0 HB ILE A 73 12.127 5.639 -19.169 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.274 4.088 -18.581 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.433 4.295 -17.283 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.492 6.593 -16.898 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.316 7.855 -18.140 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.962 7.490 -17.044 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.135 4.255 -16.408 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.877 5.847 -16.123 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.700 5.637 -17.441 1.00 0.00 H new ATOM 1182 N SER A 74 11.973 7.841 -21.079 1.00 0.00 N ATOM 1183 CA SER A 74 12.560 9.053 -21.739 1.00 0.00 C ATOM 1184 C SER A 74 11.654 9.857 -22.746 1.00 0.00 C ATOM 1185 O SER A 74 11.916 11.032 -23.011 1.00 0.00 O ATOM 1186 CB SER A 74 13.851 8.687 -22.503 1.00 0.00 C ATOM 1187 OG SER A 74 14.776 8.042 -21.636 1.00 0.00 O ATOM 0 H SER A 74 12.435 6.967 -21.330 1.00 0.00 H new ATOM 0 HA SER A 74 12.721 9.711 -20.885 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.612 8.032 -23.341 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.302 9.588 -22.920 1.00 0.00 H new ATOM 0 HG SER A 74 14.566 7.086 -21.587 1.00 0.00 H new ATOM 1193 N GLU A 75 10.604 9.231 -23.295 1.00 0.00 N ATOM 1194 CA GLU A 75 9.577 9.857 -24.159 1.00 0.00 C ATOM 1195 C GLU A 75 8.498 10.641 -23.339 1.00 0.00 C ATOM 1196 O GLU A 75 8.193 11.778 -23.707 1.00 0.00 O ATOM 1197 CB GLU A 75 8.843 8.747 -24.953 1.00 0.00 C ATOM 1198 CG GLU A 75 7.787 9.219 -25.967 1.00 0.00 C ATOM 1199 CD GLU A 75 7.178 7.982 -26.622 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.554 7.174 -25.884 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.343 7.820 -27.860 1.00 0.00 O ATOM 0 H GLU A 75 10.434 8.236 -23.148 1.00 0.00 H new ATOM 0 HA GLU A 75 10.093 10.559 -24.813 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.589 8.157 -25.486 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.359 8.080 -24.240 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.015 9.806 -25.469 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.242 9.864 -26.719 1.00 0.00 H new ATOM 1208 N ILE A 76 7.919 10.073 -22.251 1.00 0.00 N ATOM 1209 CA ILE A 76 6.951 10.804 -21.363 1.00 0.00 C ATOM 1210 C ILE A 76 7.648 11.761 -20.316 1.00 0.00 C ATOM 1211 O ILE A 76 7.050 12.779 -19.951 1.00 0.00 O ATOM 1212 CB ILE A 76 5.810 9.963 -20.810 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.435 8.839 -21.814 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.616 10.923 -20.603 1.00 0.00 C ATOM 1215 CD1 ILE A 76 4.258 7.960 -21.379 1.00 0.00 C ATOM 0 H ILE A 76 8.099 9.112 -21.959 1.00 0.00 H new ATOM 0 HA ILE A 76 6.429 11.479 -22.041 1.00 0.00 H new ATOM 0 HB ILE A 76 6.092 9.482 -19.873 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.196 9.294 -22.775 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.307 8.204 -21.970 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.767 10.367 -20.206 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.897 11.707 -19.900 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.341 11.373 -21.557 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.068 7.204 -22.140 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.498 7.472 -20.435 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.369 8.578 -21.252 1.00 0.00 H new ATOM 1227 N ASP A 77 8.884 11.484 -19.848 1.00 0.00 N ATOM 1228 CA ASP A 77 9.709 12.443 -19.028 1.00 0.00 C ATOM 1229 C ASP A 77 10.276 13.579 -19.959 1.00 0.00 C ATOM 1230 O ASP A 77 11.456 13.605 -20.327 1.00 0.00 O ATOM 1231 CB ASP A 77 10.937 11.825 -18.296 1.00 0.00 C ATOM 1232 CG ASP A 77 10.521 11.119 -17.008 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.039 9.960 -17.078 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.671 11.749 -15.924 1.00 0.00 O ATOM 0 H ASP A 77 9.352 10.594 -20.019 1.00 0.00 H new ATOM 0 HA ASP A 77 9.019 12.801 -18.264 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.437 11.116 -18.956 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.658 12.609 -18.066 1.00 0.00 H new ATOM 1239 N LYS A 78 9.403 14.533 -20.344 1.00 0.00 N ATOM 1240 CA LYS A 78 9.725 15.540 -21.396 1.00 0.00 C ATOM 1241 C LYS A 78 8.937 16.890 -21.335 1.00 0.00 C ATOM 1242 O LYS A 78 9.525 17.941 -21.604 1.00 0.00 O ATOM 1243 CB LYS A 78 9.440 14.878 -22.766 1.00 0.00 C ATOM 1244 CG LYS A 78 9.880 15.665 -24.007 1.00 0.00 C ATOM 1245 CD LYS A 78 9.566 14.890 -25.297 1.00 0.00 C ATOM 1246 CE LYS A 78 9.646 15.744 -26.569 1.00 0.00 C ATOM 1247 NZ LYS A 78 10.981 16.366 -26.710 1.00 0.00 N ATOM 0 H LYS A 78 8.469 14.633 -19.947 1.00 0.00 H new ATOM 0 HA LYS A 78 10.767 15.816 -21.234 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.933 13.906 -22.785 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.368 14.694 -22.840 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.374 16.630 -24.027 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.950 15.867 -23.952 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.262 14.056 -25.387 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.566 14.464 -25.219 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.436 15.124 -27.441 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.881 16.520 -26.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.036 16.868 -27.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.134 17.040 -25.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.713 15.628 -26.678 1.00 0.00 H new ATOM 1261 N GLU A 79 7.625 16.863 -21.060 1.00 0.00 N ATOM 1262 CA GLU A 79 6.721 18.050 -21.185 1.00 0.00 C ATOM 1263 C GLU A 79 6.446 18.686 -19.791 1.00 0.00 C ATOM 1264 O GLU A 79 6.734 19.865 -19.570 1.00 0.00 O ATOM 1265 CB GLU A 79 5.328 17.703 -21.781 1.00 0.00 C ATOM 1266 CG GLU A 79 5.256 17.673 -23.322 1.00 0.00 C ATOM 1267 CD GLU A 79 6.113 16.561 -23.913 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.979 15.399 -23.448 1.00 0.00 O ATOM 1269 OE2 GLU A 79 6.908 16.862 -24.844 1.00 0.00 O ATOM 0 H GLU A 79 7.145 16.021 -20.742 1.00 0.00 H new ATOM 0 HA GLU A 79 7.247 18.732 -21.853 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.022 16.728 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.604 18.430 -21.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.220 17.537 -23.634 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.585 18.634 -23.719 1.00 0.00 H new ATOM 1276 N GLY A 80 5.880 17.898 -18.861 1.00 0.00 N ATOM 1277 CA GLY A 80 5.765 18.302 -17.443 1.00 0.00 C ATOM 1278 C GLY A 80 6.078 17.160 -16.463 1.00 0.00 C ATOM 1279 O GLY A 80 5.253 16.876 -15.589 1.00 0.00 O ATOM 0 H GLY A 80 5.494 16.976 -19.063 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.444 19.133 -17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.755 18.666 -17.256 1.00 0.00 H new ATOM 1283 N THR A 81 7.267 16.547 -16.618 1.00 0.00 N ATOM 1284 CA THR A 81 7.802 15.453 -15.745 1.00 0.00 C ATOM 1285 C THR A 81 7.079 14.083 -16.000 1.00 0.00 C ATOM 1286 O THR A 81 5.958 14.006 -16.518 1.00 0.00 O ATOM 1287 CB THR A 81 8.081 15.751 -14.269 1.00 0.00 C ATOM 1288 OG1 THR A 81 6.907 15.974 -13.499 1.00 0.00 O ATOM 1289 CG2 THR A 81 8.992 16.994 -14.178 1.00 0.00 C ATOM 0 H THR A 81 7.909 16.796 -17.370 1.00 0.00 H new ATOM 0 HA THR A 81 8.830 15.369 -16.099 1.00 0.00 H new ATOM 0 HB THR A 81 8.562 14.867 -13.851 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.187 16.291 -14.084 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.199 17.218 -13.131 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.929 16.797 -14.699 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.492 17.846 -14.639 1.00 0.00 H new ATOM 1297 N GLY A 82 7.779 12.988 -15.667 1.00 0.00 N ATOM 1298 CA GLY A 82 7.354 11.599 -16.005 1.00 0.00 C ATOM 1299 C GLY A 82 6.081 11.107 -15.306 1.00 0.00 C ATOM 1300 O GLY A 82 5.998 10.896 -14.093 1.00 0.00 O ATOM 0 H GLY A 82 8.660 13.029 -15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.202 11.537 -17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.169 10.919 -15.758 1.00 0.00 H new ATOM 1304 N LYS A 83 5.097 10.909 -16.161 1.00 0.00 N ATOM 1305 CA LYS A 83 3.714 10.562 -15.760 1.00 0.00 C ATOM 1306 C LYS A 83 3.023 9.801 -16.918 1.00 0.00 C ATOM 1307 O LYS A 83 3.157 10.156 -18.097 1.00 0.00 O ATOM 1308 CB LYS A 83 2.867 11.772 -15.312 1.00 0.00 C ATOM 1309 CG LYS A 83 2.710 12.878 -16.365 1.00 0.00 C ATOM 1310 CD LYS A 83 2.469 14.249 -15.720 1.00 0.00 C ATOM 1311 CE LYS A 83 2.394 15.383 -16.747 1.00 0.00 C ATOM 1312 NZ LYS A 83 2.447 16.698 -16.069 1.00 0.00 N ATOM 0 H LYS A 83 5.219 10.981 -17.171 1.00 0.00 H new ATOM 0 HA LYS A 83 3.788 9.925 -14.879 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.876 11.418 -15.028 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.320 12.203 -14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.606 12.920 -16.984 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.877 12.636 -17.025 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.540 14.219 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.271 14.458 -15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.220 15.297 -17.453 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.472 15.300 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.080 17.433 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.867 16.668 -15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.431 16.919 -15.816 1.00 0.00 H new ATOM 1326 N MET A 84 2.261 8.761 -16.568 1.00 0.00 N ATOM 1327 CA MET A 84 1.527 7.942 -17.557 1.00 0.00 C ATOM 1328 C MET A 84 0.047 7.818 -17.142 1.00 0.00 C ATOM 1329 O MET A 84 -0.238 7.442 -16.003 1.00 0.00 O ATOM 1330 CB MET A 84 2.184 6.550 -17.656 1.00 0.00 C ATOM 1331 CG MET A 84 2.029 5.842 -19.007 1.00 0.00 C ATOM 1332 SD MET A 84 3.249 4.507 -19.211 1.00 0.00 S ATOM 1333 CE MET A 84 3.143 4.287 -21.004 1.00 0.00 C ATOM 0 H MET A 84 2.131 8.459 -15.602 1.00 0.00 H new ATOM 0 HA MET A 84 1.569 8.422 -18.535 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.247 6.653 -17.439 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.761 5.912 -16.880 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.023 5.431 -19.089 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.144 6.567 -19.813 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.398 3.259 -21.260 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.128 4.503 -21.338 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.839 4.967 -21.496 1.00 0.00 H new ATOM 1343 N ASN A 85 -0.881 8.037 -18.082 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.319 7.736 -17.869 1.00 0.00 C ATOM 1345 C ASN A 85 -2.662 6.358 -18.527 1.00 0.00 C ATOM 1346 O ASN A 85 -1.863 5.758 -19.261 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.318 8.862 -18.295 1.00 0.00 C ATOM 1348 CG ASN A 85 -3.862 8.800 -19.738 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.004 8.367 -19.936 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.049 9.226 -20.742 1.00 0.00 N ATOM 0 H ASN A 85 -0.670 8.422 -19.003 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.462 7.682 -16.790 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.166 8.840 -17.611 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.824 9.824 -18.159 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.374 9.196 -21.708 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.115 9.575 -20.528 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.861 5.816 -18.242 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.244 4.472 -18.784 1.00 0.00 C ATOM 1359 C PHE A 86 -4.453 4.448 -20.339 1.00 0.00 C ATOM 1360 O PHE A 86 -4.242 3.394 -20.940 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.532 3.967 -18.071 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.667 2.464 -18.073 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.598 1.649 -17.660 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.883 1.848 -18.421 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.725 0.259 -17.623 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.012 0.452 -18.392 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.923 -0.340 -18.012 1.00 0.00 C ATOM 0 H PHE A 86 -4.570 6.261 -17.660 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.404 3.808 -18.580 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.532 4.323 -17.041 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.404 4.403 -18.559 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.664 2.105 -17.367 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.726 2.457 -18.714 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.897 -0.351 -17.294 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.950 -0.011 -18.662 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.010 -1.416 -18.020 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.811 5.571 -21.000 1.00 0.00 N ATOM 1378 CA GLY A 87 -4.802 5.672 -22.487 1.00 0.00 C ATOM 1379 C GLY A 87 -3.364 5.527 -23.096 1.00 0.00 C ATOM 1380 O GLY A 87 -3.188 4.715 -24.011 1.00 0.00 O ATOM 0 H GLY A 87 -5.111 6.425 -20.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.448 4.899 -22.903 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.223 6.633 -22.784 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.334 6.230 -22.548 1.00 0.00 N ATOM 1385 CA ASP A 88 -0.891 6.008 -22.896 1.00 0.00 C ATOM 1386 C ASP A 88 -0.456 4.514 -22.641 1.00 0.00 C ATOM 1387 O ASP A 88 0.030 3.847 -23.558 1.00 0.00 O ATOM 1388 CB ASP A 88 0.109 6.836 -22.034 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.240 8.317 -21.961 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -0.484 8.936 -23.029 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -0.287 8.845 -20.814 1.00 0.00 O ATOM 0 H ASP A 88 -2.474 6.965 -21.855 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.842 6.305 -23.944 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.134 6.426 -21.024 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.112 6.726 -22.447 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.694 3.995 -21.416 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.406 2.589 -21.014 1.00 0.00 C ATOM 1398 C PHE A 89 -1.056 1.467 -21.889 1.00 0.00 C ATOM 1399 O PHE A 89 -0.355 0.543 -22.307 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.823 2.398 -19.528 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.057 1.332 -18.781 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.348 1.334 -18.731 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.749 0.385 -18.009 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.042 0.422 -17.925 1.00 0.00 C ATOM 1405 CE2 PHE A 89 -0.063 -0.535 -17.208 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.333 -0.515 -17.161 1.00 0.00 C ATOM 0 H PHE A 89 -1.099 4.547 -20.660 1.00 0.00 H new ATOM 0 HA PHE A 89 0.666 2.463 -21.169 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.697 3.347 -19.006 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.885 2.153 -19.493 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.900 2.049 -19.323 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.829 0.366 -18.034 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.121 0.441 -17.892 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.613 -1.260 -16.626 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.864 -1.219 -16.538 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.375 1.538 -22.160 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.090 0.527 -23.003 1.00 0.00 C ATOM 1418 C LEU A 90 -2.653 0.567 -24.507 1.00 0.00 C ATOM 1419 O LEU A 90 -2.317 -0.491 -25.045 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.620 0.782 -23.070 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.428 0.375 -21.821 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -6.839 0.988 -21.903 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -5.503 -1.155 -21.657 1.00 0.00 C ATOM 0 H LEU A 90 -2.978 2.283 -21.811 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.839 -0.418 -22.522 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.784 1.844 -23.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.021 0.244 -23.929 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.915 0.761 -20.940 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.412 0.702 -21.021 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.762 2.074 -21.948 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.343 0.622 -22.798 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.081 -1.397 -20.765 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.985 -1.591 -22.532 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.496 -1.560 -21.558 1.00 0.00 H new ATOM 1435 N THR A 91 -2.643 1.742 -25.178 1.00 0.00 N ATOM 1436 CA THR A 91 -2.201 1.846 -26.609 1.00 0.00 C ATOM 1437 C THR A 91 -0.704 1.451 -26.840 1.00 0.00 C ATOM 1438 O THR A 91 -0.418 0.715 -27.792 1.00 0.00 O ATOM 1439 CB THR A 91 -2.470 3.213 -27.226 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.801 4.254 -26.521 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.990 3.473 -27.204 1.00 0.00 C ATOM 0 H THR A 91 -2.931 2.630 -24.766 1.00 0.00 H new ATOM 0 HA THR A 91 -2.821 1.110 -27.121 1.00 0.00 H new ATOM 0 HB THR A 91 -2.091 3.210 -28.248 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.260 4.421 -25.671 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.199 4.449 -27.643 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.500 2.700 -27.779 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.347 3.454 -26.174 1.00 0.00 H new ATOM 1449 N VAL A 92 0.243 1.927 -26.003 1.00 0.00 N ATOM 1450 CA VAL A 92 1.685 1.559 -26.130 1.00 0.00 C ATOM 1451 C VAL A 92 1.989 0.062 -25.780 1.00 0.00 C ATOM 1452 O VAL A 92 2.623 -0.602 -26.600 1.00 0.00 O ATOM 1453 CB VAL A 92 2.622 2.574 -25.480 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.845 2.326 -23.978 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.951 2.613 -26.257 1.00 0.00 C ATOM 0 H VAL A 92 0.044 2.565 -25.232 1.00 0.00 H new ATOM 0 HA VAL A 92 1.914 1.623 -27.194 1.00 0.00 H new ATOM 0 HB VAL A 92 2.141 3.551 -25.536 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.520 3.084 -23.581 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.890 2.380 -23.455 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.282 1.338 -23.833 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.622 3.337 -25.795 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.413 1.626 -26.237 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.760 2.903 -27.290 1.00 0.00 H new ATOM 1465 N MET A 93 1.521 -0.499 -24.642 1.00 0.00 N ATOM 1466 CA MET A 93 1.695 -1.959 -24.338 1.00 0.00 C ATOM 1467 C MET A 93 1.014 -2.930 -25.365 1.00 0.00 C ATOM 1468 O MET A 93 1.645 -3.931 -25.709 1.00 0.00 O ATOM 1469 CB MET A 93 1.263 -2.359 -22.905 1.00 0.00 C ATOM 1470 CG MET A 93 2.327 -2.040 -21.833 1.00 0.00 C ATOM 1471 SD MET A 93 2.700 -0.281 -21.558 1.00 0.00 S ATOM 1472 CE MET A 93 4.216 -0.524 -20.592 1.00 0.00 C ATOM 0 H MET A 93 1.024 0.021 -23.919 1.00 0.00 H new ATOM 0 HA MET A 93 2.774 -2.083 -24.426 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.338 -1.840 -22.654 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.045 -3.427 -22.884 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.998 -2.471 -20.887 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.252 -2.546 -22.109 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.665 0.444 -20.370 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.975 -1.035 -19.660 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.920 -1.127 -21.165 1.00 0.00 H new ATOM 1482 N THR A 94 -0.206 -2.662 -25.890 1.00 0.00 N ATOM 1483 CA THR A 94 -0.776 -3.453 -27.031 1.00 0.00 C ATOM 1484 C THR A 94 0.121 -3.386 -28.321 1.00 0.00 C ATOM 1485 O THR A 94 0.595 -4.439 -28.751 1.00 0.00 O ATOM 1486 CB THR A 94 -2.201 -3.065 -27.396 1.00 0.00 C ATOM 1487 OG1 THR A 94 -3.018 -3.075 -26.235 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.801 -4.042 -28.430 1.00 0.00 C ATOM 0 H THR A 94 -0.815 -1.916 -25.554 1.00 0.00 H new ATOM 0 HA THR A 94 -0.793 -4.477 -26.658 1.00 0.00 H new ATOM 0 HB THR A 94 -2.170 -2.065 -27.829 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.878 -2.247 -25.729 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.820 -3.737 -28.670 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.196 -4.030 -29.336 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.812 -5.050 -28.015 1.00 0.00 H new ATOM 1496 N GLN A 95 0.389 -2.189 -28.897 1.00 0.00 N ATOM 1497 CA GLN A 95 1.247 -2.045 -30.110 1.00 0.00 C ATOM 1498 C GLN A 95 2.752 -2.479 -29.972 1.00 0.00 C ATOM 1499 O GLN A 95 3.300 -3.019 -30.936 1.00 0.00 O ATOM 1500 CB GLN A 95 1.238 -0.565 -30.571 1.00 0.00 C ATOM 1501 CG GLN A 95 1.841 -0.316 -31.966 1.00 0.00 C ATOM 1502 CD GLN A 95 1.747 1.173 -32.311 1.00 0.00 C ATOM 1503 OE1 GLN A 95 1.298 1.992 -31.502 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.194 1.527 -33.553 1.00 0.00 N ATOM 0 H GLN A 95 0.025 -1.304 -28.544 1.00 0.00 H new ATOM 0 HA GLN A 95 0.800 -2.736 -30.825 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.209 -0.205 -30.566 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.788 0.031 -29.842 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.882 -0.639 -31.986 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.310 -0.906 -32.713 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.556 0.815 -34.187 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.165 2.504 -33.846 1.00 0.00 H new ATOM 1513 N LYS A 96 3.428 -2.236 -28.833 1.00 0.00 N ATOM 1514 CA LYS A 96 4.825 -2.711 -28.603 1.00 0.00 C ATOM 1515 C LYS A 96 4.954 -4.238 -28.253 1.00 0.00 C ATOM 1516 O LYS A 96 5.788 -4.901 -28.876 1.00 0.00 O ATOM 1517 CB LYS A 96 5.567 -1.886 -27.528 1.00 0.00 C ATOM 1518 CG LYS A 96 5.623 -0.374 -27.834 1.00 0.00 C ATOM 1519 CD LYS A 96 6.294 0.028 -29.162 1.00 0.00 C ATOM 1520 CE LYS A 96 7.789 -0.303 -29.247 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.541 0.432 -28.208 1.00 0.00 N ATOM 0 H LYS A 96 3.036 -1.713 -28.050 1.00 0.00 H new ATOM 0 HA LYS A 96 5.298 -2.560 -29.573 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.077 -2.035 -26.566 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.584 -2.266 -27.429 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.604 0.013 -27.834 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.152 0.121 -27.020 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.777 -0.472 -29.981 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.163 1.100 -29.310 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.938 -1.376 -29.122 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.170 -0.041 -30.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.511 0.062 -28.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.569 1.443 -28.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.072 0.309 -27.288 1.00 0.00 H new ATOM 1535 N MET A 97 4.183 -4.799 -27.294 1.00 0.00 N ATOM 1536 CA MET A 97 4.267 -6.253 -26.947 1.00 0.00 C ATOM 1537 C MET A 97 3.501 -7.207 -27.934 1.00 0.00 C ATOM 1538 O MET A 97 4.121 -8.165 -28.404 1.00 0.00 O ATOM 1539 CB MET A 97 3.715 -6.562 -25.531 1.00 0.00 C ATOM 1540 CG MET A 97 4.569 -6.006 -24.374 1.00 0.00 C ATOM 1541 SD MET A 97 6.105 -6.946 -24.085 1.00 0.00 S ATOM 1542 CE MET A 97 6.539 -6.174 -22.498 1.00 0.00 C ATOM 0 H MET A 97 3.498 -4.279 -26.745 1.00 0.00 H new ATOM 0 HA MET A 97 5.337 -6.449 -27.011 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.708 -6.153 -25.451 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.630 -7.643 -25.416 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.823 -4.968 -24.587 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.974 -6.008 -23.461 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.468 -6.606 -22.125 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.669 -5.101 -22.639 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.741 -6.352 -21.777 1.00 0.00 H new ATOM 1552 N SER A 98 2.175 -7.050 -28.147 1.00 0.00 N ATOM 1553 CA SER A 98 1.364 -7.999 -28.954 1.00 0.00 C ATOM 1554 C SER A 98 1.461 -7.824 -30.500 1.00 0.00 C ATOM 1555 O SER A 98 1.165 -6.704 -30.988 1.00 0.00 O ATOM 1556 CB SER A 98 -0.125 -7.907 -28.585 1.00 0.00 C ATOM 1557 OG SER A 98 -0.303 -8.056 -27.182 1.00 0.00 O ATOM 1558 OXT SER A 98 1.801 -8.823 -31.187 1.00 0.00 O ATOM 0 H SER A 98 1.638 -6.270 -27.769 1.00 0.00 H new ATOM 0 HA SER A 98 1.796 -8.968 -28.704 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.527 -6.947 -28.908 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.684 -8.680 -29.112 1.00 0.00 H new ATOM 0 HG SER A 98 -1.257 -7.993 -26.965 1.00 0.00 H new