USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 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 95 GLN : amide:sc= 0.94 K(o=3,f=-3.7) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -177:sc= 2.01 (180deg=0.798) USER MOD Set 2.1: A 57 MET CE :methyl -175:sc= -0.121 (180deg=-0.219) USER MOD Set 2.2: A 93 MET CE :methyl -177:sc=-0.00406 (180deg=-0.00528) USER MOD Set 2.3: A 97 MET CE :methyl -173:sc= -0.0172 (180deg=-0.0888) USER MOD Set 3.1: A 29 GLN : amide:sc= 0.321 K(o=1.2,f=-0.12) USER MOD Set 3.2: A 98 SER OG : rot 12:sc= 0.864 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0285) USER MOD Single : A 31 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.13) USER MOD Single : A 45 THR OG1 : rot -66:sc= 0.633 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 1.32 (180deg=1.18) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0.164 (180deg=-0.237!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc=-0.00875 (180deg=-0.113) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 2.25 (180deg=2.14) USER MOD Single : A 72 MET CE :methyl 163:sc= -0.0659 (180deg=-0.453) USER MOD Single : A 74 SER OG : rot 85:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 0.501 (180deg=0.341) USER MOD Single : A 81 THR OG1 : rot -30:sc= 1.32 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.802 (180deg=0.786) USER MOD Single : A 84 MET CE :methyl -173:sc= -0.186 (180deg=-0.21) USER MOD Single : A 85 ASN : amide:sc= 0.905 K(o=0.9,f=-1) USER MOD Single : A 91 THR OG1 : rot -71:sc= 0.574 USER MOD Single : A 94 THR OG1 : rot -76:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -5.536 -7.716 -26.712 1.00 0.00 N ATOM 384 CA LEU A 25 -5.638 -7.942 -25.246 1.00 0.00 C ATOM 385 C LEU A 25 -6.409 -9.264 -24.981 1.00 0.00 C ATOM 386 O LEU A 25 -7.636 -9.286 -24.830 1.00 0.00 O ATOM 387 CB LEU A 25 -6.455 -6.816 -24.568 1.00 0.00 C ATOM 388 CG LEU A 25 -5.848 -5.403 -24.733 1.00 0.00 C ATOM 389 CD1 LEU A 25 -6.913 -4.322 -24.470 1.00 0.00 C ATOM 390 CD2 LEU A 25 -4.596 -5.203 -23.860 1.00 0.00 C ATOM 0 HA LEU A 25 -4.625 -7.972 -24.846 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.464 -6.816 -24.981 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.545 -7.038 -23.505 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.517 -5.303 -25.767 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.467 -3.335 -24.591 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.733 -4.439 -25.179 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.294 -4.426 -23.454 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.205 -4.197 -24.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.859 -5.338 -22.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.836 -5.933 -24.141 1.00 0.00 H new ATOM 402 N THR A 26 -5.660 -10.372 -24.930 1.00 0.00 N ATOM 403 CA THR A 26 -6.264 -11.739 -24.906 1.00 0.00 C ATOM 404 C THR A 26 -6.511 -12.180 -23.436 1.00 0.00 C ATOM 405 O THR A 26 -7.584 -11.941 -22.875 1.00 0.00 O ATOM 406 CB THR A 26 -5.381 -12.723 -25.670 1.00 0.00 C ATOM 407 OG1 THR A 26 -4.007 -12.580 -25.307 1.00 0.00 O ATOM 408 CG2 THR A 26 -5.531 -12.417 -27.175 1.00 0.00 C ATOM 0 H THR A 26 -4.640 -10.365 -24.904 1.00 0.00 H new ATOM 0 HA THR A 26 -7.230 -11.723 -25.410 1.00 0.00 H new ATOM 0 HB THR A 26 -5.690 -13.741 -25.432 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.467 -13.224 -25.811 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.911 -13.105 -27.750 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.574 -12.537 -27.469 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.214 -11.393 -27.371 1.00 0.00 H new ATOM 416 N GLU A 27 -5.517 -12.824 -22.838 1.00 0.00 N ATOM 417 CA GLU A 27 -5.557 -13.315 -21.436 1.00 0.00 C ATOM 418 C GLU A 27 -4.259 -12.831 -20.721 1.00 0.00 C ATOM 419 O GLU A 27 -4.344 -12.059 -19.765 1.00 0.00 O ATOM 420 CB GLU A 27 -5.619 -14.856 -21.346 1.00 0.00 C ATOM 421 CG GLU A 27 -6.903 -15.432 -21.968 1.00 0.00 C ATOM 422 CD GLU A 27 -6.905 -16.948 -21.803 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.982 -17.599 -22.360 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.824 -17.471 -21.119 1.00 0.00 O ATOM 0 H GLU A 27 -4.637 -13.032 -23.309 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.459 -12.922 -20.966 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.752 -15.281 -21.851 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.558 -15.158 -20.301 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.780 -15.001 -21.485 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.959 -15.169 -23.024 1.00 0.00 H new ATOM 431 N GLU A 28 -3.077 -13.207 -21.249 1.00 0.00 N ATOM 432 CA GLU A 28 -1.758 -12.668 -20.828 1.00 0.00 C ATOM 433 C GLU A 28 -1.628 -11.109 -20.922 1.00 0.00 C ATOM 434 O GLU A 28 -1.377 -10.489 -19.886 1.00 0.00 O ATOM 435 CB GLU A 28 -0.639 -13.322 -21.669 1.00 0.00 C ATOM 436 CG GLU A 28 0.795 -13.022 -21.203 1.00 0.00 C ATOM 437 CD GLU A 28 1.750 -13.885 -22.024 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.733 -13.751 -23.278 1.00 0.00 O ATOM 439 OE2 GLU A 28 2.483 -14.709 -21.416 1.00 0.00 O ATOM 0 H GLU A 28 -3.005 -13.903 -21.991 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.662 -12.916 -19.771 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.787 -14.402 -21.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.744 -12.992 -22.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.026 -11.965 -21.337 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.903 -13.239 -20.140 1.00 0.00 H new ATOM 446 N GLN A 29 -1.840 -10.455 -22.095 1.00 0.00 N ATOM 447 CA GLN A 29 -1.681 -8.961 -22.186 1.00 0.00 C ATOM 448 C GLN A 29 -2.824 -8.168 -21.446 1.00 0.00 C ATOM 449 O GLN A 29 -2.558 -7.142 -20.811 1.00 0.00 O ATOM 450 CB GLN A 29 -1.469 -8.434 -23.628 1.00 0.00 C ATOM 451 CG GLN A 29 -0.952 -6.978 -23.648 1.00 0.00 C ATOM 452 CD GLN A 29 -0.319 -6.557 -24.981 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.707 -5.866 -24.974 1.00 0.00 O ATOM 454 NE2 GLN A 29 -0.939 -6.943 -26.132 1.00 0.00 N ATOM 0 H GLN A 29 -2.112 -10.910 -22.967 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.753 -8.761 -21.651 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.758 -9.077 -24.147 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.410 -8.491 -24.176 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.781 -6.306 -23.423 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.216 -6.854 -22.853 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.784 -7.513 -26.090 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.558 -6.662 -27.035 1.00 0.00 H new ATOM 463 N LYS A 30 -4.075 -8.669 -21.485 1.00 0.00 N ATOM 464 CA LYS A 30 -5.205 -8.175 -20.640 1.00 0.00 C ATOM 465 C LYS A 30 -4.902 -8.214 -19.095 1.00 0.00 C ATOM 466 O LYS A 30 -5.067 -7.197 -18.409 1.00 0.00 O ATOM 467 CB LYS A 30 -6.459 -9.028 -20.934 1.00 0.00 C ATOM 468 CG LYS A 30 -7.765 -8.504 -20.325 1.00 0.00 C ATOM 469 CD LYS A 30 -8.977 -9.332 -20.786 1.00 0.00 C ATOM 470 CE LYS A 30 -10.322 -8.834 -20.245 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.368 -8.908 -18.765 1.00 0.00 N ATOM 0 H LYS A 30 -4.342 -9.434 -22.105 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.362 -7.128 -20.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.584 -9.100 -22.014 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.285 -10.039 -20.565 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.697 -8.532 -19.237 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.907 -7.461 -20.609 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.012 -9.328 -21.875 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.834 -10.367 -20.476 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.487 -7.805 -20.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.130 -9.432 -20.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.308 -8.613 -18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.184 -9.885 -18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.644 -8.278 -18.363 1.00 0.00 H new ATOM 485 N GLN A 31 -4.428 -9.365 -18.566 1.00 0.00 N ATOM 486 CA GLN A 31 -3.886 -9.477 -17.182 1.00 0.00 C ATOM 487 C GLN A 31 -2.675 -8.536 -16.874 1.00 0.00 C ATOM 488 O GLN A 31 -2.696 -7.923 -15.809 1.00 0.00 O ATOM 489 CB GLN A 31 -3.465 -10.940 -16.877 1.00 0.00 C ATOM 490 CG GLN A 31 -2.894 -11.217 -15.467 1.00 0.00 C ATOM 491 CD GLN A 31 -1.356 -11.221 -15.487 1.00 0.00 C ATOM 492 OE1 GLN A 31 -0.756 -12.096 -16.122 1.00 0.00 O ATOM 493 NE2 GLN A 31 -0.718 -10.244 -14.782 1.00 0.00 N ATOM 0 H GLN A 31 -4.408 -10.245 -19.082 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.706 -9.158 -16.538 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.333 -11.582 -17.025 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.718 -11.240 -17.612 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.250 -10.458 -14.771 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.259 -12.178 -15.105 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.260 -9.545 -14.274 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.301 -10.212 -14.762 1.00 0.00 H new ATOM 502 N GLU A 32 -1.661 -8.395 -17.752 1.00 0.00 N ATOM 503 CA GLU A 32 -0.528 -7.426 -17.568 1.00 0.00 C ATOM 504 C GLU A 32 -0.958 -5.949 -17.284 1.00 0.00 C ATOM 505 O GLU A 32 -0.592 -5.385 -16.248 1.00 0.00 O ATOM 506 CB GLU A 32 0.367 -7.405 -18.824 1.00 0.00 C ATOM 507 CG GLU A 32 1.244 -8.661 -18.972 1.00 0.00 C ATOM 508 CD GLU A 32 1.932 -8.676 -20.336 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.670 -7.754 -21.155 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.725 -9.625 -20.578 1.00 0.00 O ATOM 0 H GLU A 32 -1.592 -8.942 -18.610 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.003 -7.792 -16.685 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.263 -7.305 -19.708 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.009 -6.525 -18.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.993 -8.684 -18.180 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.631 -9.555 -18.857 1.00 0.00 H new ATOM 517 N ILE A 33 -1.759 -5.336 -18.175 1.00 0.00 N ATOM 518 CA ILE A 33 -2.226 -3.926 -17.997 1.00 0.00 C ATOM 519 C ILE A 33 -3.229 -3.761 -16.795 1.00 0.00 C ATOM 520 O ILE A 33 -3.045 -2.813 -16.021 1.00 0.00 O ATOM 521 CB ILE A 33 -2.834 -3.359 -19.292 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.745 -3.049 -20.355 1.00 0.00 C ATOM 523 CG2 ILE A 33 -3.652 -2.073 -19.026 1.00 0.00 C ATOM 524 CD1 ILE A 33 -1.304 -4.239 -21.210 1.00 0.00 C ATOM 0 H ILE A 33 -2.101 -5.783 -19.026 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.336 -3.346 -17.754 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.498 -4.133 -19.677 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.119 -2.267 -21.016 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.870 -2.645 -19.846 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.065 -1.704 -19.965 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.465 -2.295 -18.335 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.003 -1.313 -18.591 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.542 -3.915 -21.919 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.893 -5.017 -20.566 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.162 -4.634 -21.754 1.00 0.00 H new ATOM 536 N ARG A 34 -4.253 -4.643 -16.600 1.00 0.00 N ATOM 537 CA ARG A 34 -5.109 -4.601 -15.382 1.00 0.00 C ATOM 538 C ARG A 34 -4.313 -4.834 -14.063 1.00 0.00 C ATOM 539 O ARG A 34 -4.432 -3.995 -13.170 1.00 0.00 O ATOM 540 CB ARG A 34 -6.268 -5.631 -15.468 1.00 0.00 C ATOM 541 CG ARG A 34 -7.228 -5.669 -14.256 1.00 0.00 C ATOM 542 CD ARG A 34 -6.874 -6.743 -13.203 1.00 0.00 C ATOM 543 NE ARG A 34 -6.792 -6.135 -11.828 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.100 -6.701 -10.790 1.00 0.00 C ATOM 545 NH1 ARG A 34 -5.436 -7.882 -10.942 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.084 -6.060 -9.586 1.00 0.00 N ATOM 0 H ARG A 34 -4.501 -5.379 -17.261 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.517 -3.591 -15.350 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.852 -5.418 -16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.837 -6.624 -15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.228 -4.691 -13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.242 -5.848 -14.615 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.627 -7.531 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.922 -7.209 -13.457 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.278 -5.254 -11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.448 -8.362 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.927 -8.286 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.581 -5.177 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.575 -6.464 -8.800 1.00 0.00 H new ATOM 560 N GLU A 35 -3.508 -5.915 -13.936 1.00 0.00 N ATOM 561 CA GLU A 35 -2.686 -6.163 -12.721 1.00 0.00 C ATOM 562 C GLU A 35 -1.741 -4.987 -12.342 1.00 0.00 C ATOM 563 O GLU A 35 -1.846 -4.543 -11.199 1.00 0.00 O ATOM 564 CB GLU A 35 -1.873 -7.475 -12.855 1.00 0.00 C ATOM 565 CG GLU A 35 -1.179 -8.000 -11.580 1.00 0.00 C ATOM 566 CD GLU A 35 0.183 -7.338 -11.368 1.00 0.00 C ATOM 567 OE1 GLU A 35 1.010 -7.383 -12.317 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.412 -6.788 -10.259 1.00 0.00 O ATOM 0 H GLU A 35 -3.408 -6.630 -14.657 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.403 -6.257 -11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.543 -8.253 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.110 -7.325 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.815 -7.811 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.052 -9.080 -11.653 1.00 0.00 H new ATOM 575 N ALA A 36 -0.924 -4.425 -13.258 1.00 0.00 N ATOM 576 CA ALA A 36 -0.026 -3.294 -12.886 1.00 0.00 C ATOM 577 C ALA A 36 -0.722 -1.919 -12.621 1.00 0.00 C ATOM 578 O ALA A 36 -0.449 -1.297 -11.584 1.00 0.00 O ATOM 579 CB ALA A 36 1.038 -3.044 -13.964 1.00 0.00 C ATOM 0 H ALA A 36 -0.862 -4.719 -14.233 1.00 0.00 H new ATOM 0 HA ALA A 36 0.401 -3.636 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.675 -2.213 -13.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.646 -3.940 -14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.550 -2.801 -14.908 1.00 0.00 H new ATOM 585 N PHE A 37 -1.602 -1.416 -13.520 1.00 0.00 N ATOM 586 CA PHE A 37 -2.256 -0.090 -13.296 1.00 0.00 C ATOM 587 C PHE A 37 -3.230 -0.086 -12.078 1.00 0.00 C ATOM 588 O PHE A 37 -3.146 0.850 -11.284 1.00 0.00 O ATOM 589 CB PHE A 37 -3.075 0.320 -14.547 1.00 0.00 C ATOM 590 CG PHE A 37 -3.268 1.812 -14.617 1.00 0.00 C ATOM 591 CD1 PHE A 37 -4.276 2.459 -13.877 1.00 0.00 C ATOM 592 CD2 PHE A 37 -2.441 2.581 -15.450 1.00 0.00 C ATOM 593 CE1 PHE A 37 -4.430 3.848 -13.946 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.613 3.964 -15.544 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.593 4.599 -14.778 1.00 0.00 C ATOM 0 H PHE A 37 -1.874 -1.886 -14.384 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.446 0.612 -13.097 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.564 -0.024 -15.446 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.047 -0.173 -14.524 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.936 1.878 -13.250 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.664 2.099 -16.024 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.192 4.339 -13.359 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.988 4.542 -16.209 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.705 5.672 -14.828 1.00 0.00 H new ATOM 605 N ASP A 38 -4.082 -1.114 -11.883 1.00 0.00 N ATOM 606 CA ASP A 38 -4.862 -1.276 -10.622 1.00 0.00 C ATOM 607 C ASP A 38 -3.972 -1.508 -9.335 1.00 0.00 C ATOM 608 O ASP A 38 -4.347 -1.029 -8.265 1.00 0.00 O ATOM 609 CB ASP A 38 -5.780 -2.518 -10.806 1.00 0.00 C ATOM 610 CG ASP A 38 -6.918 -2.676 -9.795 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.232 -1.722 -9.047 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.505 -3.796 -9.791 1.00 0.00 O ATOM 0 H ASP A 38 -4.252 -1.845 -12.574 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.411 -0.349 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.213 -2.478 -11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.158 -3.412 -10.764 1.00 0.00 H new ATOM 617 N LEU A 39 -2.777 -2.164 -9.392 1.00 0.00 N ATOM 618 CA LEU A 39 -1.788 -2.184 -8.275 1.00 0.00 C ATOM 619 C LEU A 39 -1.424 -0.766 -7.721 1.00 0.00 C ATOM 620 O LEU A 39 -1.509 -0.515 -6.516 1.00 0.00 O ATOM 621 CB LEU A 39 -0.488 -2.944 -8.645 1.00 0.00 C ATOM 622 CG LEU A 39 0.545 -3.146 -7.507 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.040 -3.878 -6.282 1.00 0.00 C ATOM 624 CD2 LEU A 39 1.788 -3.886 -8.042 1.00 0.00 C ATOM 0 H LEU A 39 -2.474 -2.692 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.301 -2.724 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.765 -3.925 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.001 -2.407 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 39 0.834 -2.153 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.732 -3.988 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.870 -3.301 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.396 -4.863 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.506 -4.022 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.492 -4.860 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.245 -3.300 -8.839 1.00 0.00 H new ATOM 636 N PHE A 40 -0.966 0.118 -8.625 1.00 0.00 N ATOM 637 CA PHE A 40 -0.539 1.497 -8.273 1.00 0.00 C ATOM 638 C PHE A 40 -1.728 2.509 -8.124 1.00 0.00 C ATOM 639 O PHE A 40 -1.709 3.318 -7.192 1.00 0.00 O ATOM 640 CB PHE A 40 0.550 2.040 -9.217 1.00 0.00 C ATOM 641 CG PHE A 40 1.766 1.164 -9.038 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.557 1.285 -7.879 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.077 0.151 -9.961 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.617 0.403 -7.641 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.125 -0.742 -9.718 1.00 0.00 C ATOM 646 CZ PHE A 40 3.893 -0.620 -8.557 1.00 0.00 C ATOM 0 H PHE A 40 -0.879 -0.096 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.095 1.405 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.209 2.019 -10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.784 3.078 -8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.343 2.067 -7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.499 0.061 -10.869 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.221 0.511 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.341 -1.527 -10.428 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.698 -1.314 -8.366 1.00 0.00 H new ATOM 656 N ASP A 41 -2.760 2.449 -8.988 1.00 0.00 N ATOM 657 CA ASP A 41 -4.035 3.193 -8.820 1.00 0.00 C ATOM 658 C ASP A 41 -5.211 2.214 -8.470 1.00 0.00 C ATOM 659 O ASP A 41 -5.977 1.798 -9.343 1.00 0.00 O ATOM 660 CB ASP A 41 -4.386 3.987 -10.111 1.00 0.00 C ATOM 661 CG ASP A 41 -5.515 5.005 -9.931 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.048 5.171 -8.801 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.853 5.674 -10.944 1.00 0.00 O ATOM 0 H ASP A 41 -2.737 1.878 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.902 3.895 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.494 4.508 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.668 3.282 -10.893 1.00 0.00 H new ATOM 668 N ALA A 42 -5.359 1.863 -7.176 1.00 0.00 N ATOM 669 CA ALA A 42 -6.414 0.900 -6.719 1.00 0.00 C ATOM 670 C ALA A 42 -7.833 1.505 -6.438 1.00 0.00 C ATOM 671 O ALA A 42 -8.837 0.818 -6.644 1.00 0.00 O ATOM 672 CB ALA A 42 -5.980 0.190 -5.422 1.00 0.00 C ATOM 0 H ALA A 42 -4.771 2.223 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.509 0.226 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.760 -0.504 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.056 -0.360 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.817 0.930 -4.639 1.00 0.00 H new ATOM 678 N ASP A 43 -7.930 2.764 -5.969 1.00 0.00 N ATOM 679 CA ASP A 43 -9.220 3.505 -5.857 1.00 0.00 C ATOM 680 C ASP A 43 -9.886 3.895 -7.233 1.00 0.00 C ATOM 681 O ASP A 43 -11.111 3.798 -7.366 1.00 0.00 O ATOM 682 CB ASP A 43 -8.993 4.806 -5.038 1.00 0.00 C ATOM 683 CG ASP A 43 -10.306 5.459 -4.601 1.00 0.00 C ATOM 684 OD1 ASP A 43 -11.075 4.794 -3.856 1.00 0.00 O ATOM 685 OD2 ASP A 43 -10.543 6.633 -4.988 1.00 0.00 O ATOM 0 H ASP A 43 -7.123 3.303 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.908 2.818 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.394 4.577 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.421 5.514 -5.638 1.00 0.00 H new ATOM 690 N GLY A 44 -9.102 4.334 -8.236 1.00 0.00 N ATOM 691 CA GLY A 44 -9.622 4.832 -9.537 1.00 0.00 C ATOM 692 C GLY A 44 -9.508 6.361 -9.683 1.00 0.00 C ATOM 693 O GLY A 44 -10.521 7.058 -9.755 1.00 0.00 O ATOM 0 H GLY A 44 -8.084 4.356 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.074 4.353 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.667 4.539 -9.641 1.00 0.00 H new ATOM 697 N THR A 45 -8.268 6.870 -9.739 1.00 0.00 N ATOM 698 CA THR A 45 -7.975 8.329 -9.658 1.00 0.00 C ATOM 699 C THR A 45 -7.557 8.925 -11.040 1.00 0.00 C ATOM 700 O THR A 45 -8.193 9.883 -11.489 1.00 0.00 O ATOM 701 CB THR A 45 -6.942 8.648 -8.579 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.716 7.942 -8.749 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.535 8.306 -7.196 1.00 0.00 C ATOM 0 H THR A 45 -7.434 6.292 -9.841 1.00 0.00 H new ATOM 0 HA THR A 45 -8.907 8.814 -9.368 1.00 0.00 H new ATOM 0 HB THR A 45 -6.712 9.710 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.869 6.983 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.803 8.531 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.434 8.899 -7.029 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.787 7.246 -7.160 1.00 0.00 H new ATOM 711 N GLY A 46 -6.497 8.415 -11.700 1.00 0.00 N ATOM 712 CA GLY A 46 -6.021 9.006 -12.982 1.00 0.00 C ATOM 713 C GLY A 46 -4.645 8.518 -13.452 1.00 0.00 C ATOM 714 O GLY A 46 -4.573 7.848 -14.484 1.00 0.00 O ATOM 0 H GLY A 46 -5.958 7.610 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.752 8.786 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.987 10.090 -12.874 1.00 0.00 H new ATOM 718 N THR A 47 -3.564 8.932 -12.763 1.00 0.00 N ATOM 719 CA THR A 47 -2.168 8.709 -13.253 1.00 0.00 C ATOM 720 C THR A 47 -1.312 7.814 -12.310 1.00 0.00 C ATOM 721 O THR A 47 -1.344 7.904 -11.080 1.00 0.00 O ATOM 722 CB THR A 47 -1.402 9.994 -13.555 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.312 10.852 -12.419 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.118 10.740 -14.701 1.00 0.00 C ATOM 0 H THR A 47 -3.618 9.421 -11.869 1.00 0.00 H new ATOM 0 HA THR A 47 -2.320 8.178 -14.192 1.00 0.00 H new ATOM 0 HB THR A 47 -0.386 9.721 -13.839 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.812 11.660 -12.658 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.581 11.661 -14.927 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.142 10.107 -15.588 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.137 10.980 -14.398 1.00 0.00 H new ATOM 732 N ILE A 48 -0.499 6.984 -12.973 1.00 0.00 N ATOM 733 CA ILE A 48 0.595 6.194 -12.353 1.00 0.00 C ATOM 734 C ILE A 48 1.871 6.858 -12.971 1.00 0.00 C ATOM 735 O ILE A 48 2.046 6.931 -14.194 1.00 0.00 O ATOM 736 CB ILE A 48 0.543 4.696 -12.715 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.766 3.919 -12.171 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.372 4.466 -14.234 1.00 0.00 C ATOM 739 CD1 ILE A 48 1.847 2.455 -12.621 1.00 0.00 C ATOM 0 H ILE A 48 -0.577 6.832 -13.979 1.00 0.00 H new ATOM 0 HA ILE A 48 0.549 6.210 -11.264 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.344 4.297 -12.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.675 4.432 -12.485 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.743 3.949 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.341 3.396 -14.439 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.557 4.927 -14.569 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.212 4.913 -14.766 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.735 1.991 -12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.959 1.921 -12.283 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.905 2.411 -13.709 1.00 0.00 H new ATOM 751 N ASP A 49 2.769 7.336 -12.111 1.00 0.00 N ATOM 752 CA ASP A 49 3.913 8.204 -12.535 1.00 0.00 C ATOM 753 C ASP A 49 5.238 7.359 -12.686 1.00 0.00 C ATOM 754 O ASP A 49 5.309 6.187 -12.300 1.00 0.00 O ATOM 755 CB ASP A 49 4.162 9.397 -11.574 1.00 0.00 C ATOM 756 CG ASP A 49 3.176 10.537 -11.859 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.939 10.296 -11.860 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.662 11.677 -12.088 1.00 0.00 O ATOM 0 H ASP A 49 2.743 7.147 -11.109 1.00 0.00 H new ATOM 0 HA ASP A 49 3.630 8.619 -13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.055 9.067 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.185 9.756 -11.690 1.00 0.00 H new ATOM 763 N VAL A 50 6.295 7.922 -13.312 1.00 0.00 N ATOM 764 CA VAL A 50 7.531 7.155 -13.725 1.00 0.00 C ATOM 765 C VAL A 50 8.251 6.324 -12.609 1.00 0.00 C ATOM 766 O VAL A 50 8.725 5.237 -12.934 1.00 0.00 O ATOM 767 CB VAL A 50 8.571 8.029 -14.425 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.143 8.220 -15.893 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.757 9.373 -13.688 1.00 0.00 C ATOM 0 H VAL A 50 6.333 8.913 -13.552 1.00 0.00 H new ATOM 0 HA VAL A 50 7.105 6.432 -14.420 1.00 0.00 H new ATOM 0 HB VAL A 50 9.544 7.538 -14.405 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.875 8.842 -16.407 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.083 7.249 -16.384 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.167 8.704 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.503 9.973 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.809 9.910 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.091 9.185 -12.668 1.00 0.00 H new ATOM 779 N LYS A 51 8.343 6.763 -11.336 1.00 0.00 N ATOM 780 CA LYS A 51 8.806 5.877 -10.215 1.00 0.00 C ATOM 781 C LYS A 51 7.987 4.536 -10.056 1.00 0.00 C ATOM 782 O LYS A 51 8.529 3.429 -10.197 1.00 0.00 O ATOM 783 CB LYS A 51 8.975 6.648 -8.878 1.00 0.00 C ATOM 784 CG LYS A 51 7.713 7.339 -8.341 1.00 0.00 C ATOM 785 CD LYS A 51 7.984 8.411 -7.272 1.00 0.00 C ATOM 786 CE LYS A 51 6.712 8.935 -6.576 1.00 0.00 C ATOM 787 NZ LYS A 51 5.692 9.411 -7.542 1.00 0.00 N ATOM 0 H LYS A 51 8.109 7.713 -11.047 1.00 0.00 H new ATOM 0 HA LYS A 51 9.801 5.548 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.335 5.951 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.751 7.402 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.183 7.800 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.050 6.583 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.654 7.997 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.504 9.249 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.285 8.142 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.979 9.750 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.165 10.206 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.161 9.725 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.034 8.636 -7.762 1.00 0.00 H new ATOM 801 N GLU A 52 6.674 4.681 -9.829 1.00 0.00 N ATOM 802 CA GLU A 52 5.673 3.571 -9.868 1.00 0.00 C ATOM 803 C GLU A 52 5.696 2.738 -11.199 1.00 0.00 C ATOM 804 O GLU A 52 5.762 1.511 -11.131 1.00 0.00 O ATOM 805 CB GLU A 52 4.227 4.071 -9.688 1.00 0.00 C ATOM 806 CG GLU A 52 3.996 4.932 -8.434 1.00 0.00 C ATOM 807 CD GLU A 52 3.762 6.377 -8.855 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.660 6.668 -9.390 1.00 0.00 O ATOM 809 OE2 GLU A 52 4.690 7.208 -8.680 1.00 0.00 O ATOM 0 H GLU A 52 6.256 5.585 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 52 5.974 2.936 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.945 4.651 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.561 3.209 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.137 4.560 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.859 4.869 -7.771 1.00 0.00 H new ATOM 816 N LEU A 53 5.700 3.377 -12.393 1.00 0.00 N ATOM 817 CA LEU A 53 5.862 2.668 -13.695 1.00 0.00 C ATOM 818 C LEU A 53 7.199 1.858 -13.889 1.00 0.00 C ATOM 819 O LEU A 53 7.174 0.777 -14.476 1.00 0.00 O ATOM 820 CB LEU A 53 5.734 3.673 -14.864 1.00 0.00 C ATOM 821 CG LEU A 53 5.480 3.049 -16.257 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.126 2.314 -16.335 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.588 4.122 -17.356 1.00 0.00 C ATOM 0 H LEU A 53 5.593 4.387 -12.486 1.00 0.00 H new ATOM 0 HA LEU A 53 5.064 1.926 -13.688 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.919 4.362 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.648 4.265 -14.912 1.00 0.00 H new ATOM 0 HG LEU A 53 6.254 2.299 -16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.997 1.895 -17.333 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.105 1.511 -15.598 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.318 3.016 -16.129 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.407 3.666 -18.329 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.848 4.902 -17.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.586 4.559 -17.341 1.00 0.00 H new ATOM 835 N LYS A 54 8.352 2.344 -13.391 1.00 0.00 N ATOM 836 CA LYS A 54 9.624 1.562 -13.326 1.00 0.00 C ATOM 837 C LYS A 54 9.545 0.248 -12.480 1.00 0.00 C ATOM 838 O LYS A 54 9.869 -0.827 -12.998 1.00 0.00 O ATOM 839 CB LYS A 54 10.809 2.418 -12.825 1.00 0.00 C ATOM 840 CG LYS A 54 11.233 3.481 -13.854 1.00 0.00 C ATOM 841 CD LYS A 54 12.102 4.605 -13.266 1.00 0.00 C ATOM 842 CE LYS A 54 12.353 5.731 -14.279 1.00 0.00 C ATOM 843 NZ LYS A 54 13.094 6.865 -13.675 1.00 0.00 N ATOM 0 H LYS A 54 8.439 3.290 -13.019 1.00 0.00 H new ATOM 0 HA LYS A 54 9.794 1.263 -14.360 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.532 2.908 -11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.657 1.769 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.782 2.994 -14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.339 3.920 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.614 5.015 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.057 4.192 -12.940 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.917 5.339 -15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.400 6.087 -14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.243 7.604 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.545 7.256 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.015 6.531 -13.326 1.00 0.00 H new ATOM 857 N VAL A 55 9.092 0.310 -11.206 1.00 0.00 N ATOM 858 CA VAL A 55 8.778 -0.940 -10.420 1.00 0.00 C ATOM 859 C VAL A 55 7.622 -1.819 -11.034 1.00 0.00 C ATOM 860 O VAL A 55 7.686 -3.053 -10.972 1.00 0.00 O ATOM 861 CB VAL A 55 8.562 -0.694 -8.933 1.00 0.00 C ATOM 862 CG1 VAL A 55 9.893 -0.199 -8.327 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.423 0.311 -8.684 1.00 0.00 C ATOM 0 H VAL A 55 8.934 1.180 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 55 9.690 -1.531 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 55 8.260 -1.623 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.761 -0.016 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.663 -0.956 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.195 0.725 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.298 0.461 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.667 1.262 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.496 -0.078 -9.106 1.00 0.00 H new ATOM 873 N ALA A 56 6.622 -1.189 -11.680 1.00 0.00 N ATOM 874 CA ALA A 56 5.597 -1.898 -12.502 1.00 0.00 C ATOM 875 C ALA A 56 6.172 -2.727 -13.696 1.00 0.00 C ATOM 876 O ALA A 56 5.810 -3.892 -13.851 1.00 0.00 O ATOM 877 CB ALA A 56 4.551 -0.942 -13.105 1.00 0.00 C ATOM 0 H ALA A 56 6.494 -0.177 -11.653 1.00 0.00 H new ATOM 0 HA ALA A 56 5.147 -2.576 -11.777 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.832 -1.513 -13.692 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.031 -0.419 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.049 -0.216 -13.748 1.00 0.00 H new ATOM 883 N MET A 57 7.099 -2.158 -14.495 1.00 0.00 N ATOM 884 CA MET A 57 7.874 -2.913 -15.525 1.00 0.00 C ATOM 885 C MET A 57 8.818 -4.024 -14.958 1.00 0.00 C ATOM 886 O MET A 57 8.965 -5.047 -15.630 1.00 0.00 O ATOM 887 CB MET A 57 8.675 -1.936 -16.402 1.00 0.00 C ATOM 888 CG MET A 57 7.875 -1.362 -17.596 1.00 0.00 C ATOM 889 SD MET A 57 6.222 -0.672 -17.269 1.00 0.00 S ATOM 890 CE MET A 57 6.035 0.005 -18.941 1.00 0.00 C ATOM 0 H MET A 57 7.337 -1.167 -14.452 1.00 0.00 H new ATOM 0 HA MET A 57 7.129 -3.443 -16.118 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.025 -1.111 -15.782 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.560 -2.447 -16.782 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.478 -0.579 -18.056 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.765 -2.155 -18.336 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.111 0.580 -18.999 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.881 0.654 -19.168 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.001 -0.811 -19.662 1.00 0.00 H new ATOM 900 N ARG A 58 9.430 -3.884 -13.758 1.00 0.00 N ATOM 901 CA ARG A 58 10.135 -5.026 -13.090 1.00 0.00 C ATOM 902 C ARG A 58 9.186 -6.258 -12.819 1.00 0.00 C ATOM 903 O ARG A 58 9.555 -7.373 -13.191 1.00 0.00 O ATOM 904 CB ARG A 58 10.753 -4.641 -11.725 1.00 0.00 C ATOM 905 CG ARG A 58 11.789 -3.511 -11.817 1.00 0.00 C ATOM 906 CD ARG A 58 12.337 -3.113 -10.441 1.00 0.00 C ATOM 907 NE ARG A 58 13.202 -1.897 -10.599 1.00 0.00 N ATOM 908 CZ ARG A 58 13.782 -1.253 -9.540 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.609 -1.711 -8.266 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.541 -0.139 -9.764 1.00 0.00 N ATOM 0 H ARG A 58 9.455 -3.010 -13.232 1.00 0.00 H new ATOM 0 HA ARG A 58 10.918 -5.294 -13.799 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.955 -4.337 -11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.225 -5.521 -11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.613 -3.827 -12.457 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.334 -2.641 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.517 -2.906 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.913 -3.933 -10.012 1.00 0.00 H new ATOM 0 HE ARG A 58 13.365 -1.534 -11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.042 -2.542 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.046 -1.223 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.672 0.206 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.977 0.347 -8.980 1.00 0.00 H new ATOM 924 N ALA A 59 7.981 -6.077 -12.222 1.00 0.00 N ATOM 925 CA ALA A 59 6.959 -7.165 -12.152 1.00 0.00 C ATOM 926 C ALA A 59 6.306 -7.619 -13.514 1.00 0.00 C ATOM 927 O ALA A 59 6.169 -8.822 -13.744 1.00 0.00 O ATOM 928 CB ALA A 59 5.788 -6.750 -11.239 1.00 0.00 C ATOM 0 H ALA A 59 7.691 -5.202 -11.786 1.00 0.00 H new ATOM 0 HA ALA A 59 7.540 -8.007 -11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.054 -7.555 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.162 -6.552 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.319 -5.850 -11.636 1.00 0.00 H new ATOM 934 N LEU A 60 5.891 -6.686 -14.392 1.00 0.00 N ATOM 935 CA LEU A 60 5.165 -6.990 -15.660 1.00 0.00 C ATOM 936 C LEU A 60 6.035 -7.452 -16.854 1.00 0.00 C ATOM 937 O LEU A 60 5.590 -8.340 -17.580 1.00 0.00 O ATOM 938 CB LEU A 60 4.433 -5.688 -16.096 1.00 0.00 C ATOM 939 CG LEU A 60 3.368 -5.760 -17.218 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.424 -4.552 -17.091 1.00 0.00 C ATOM 941 CD2 LEU A 60 3.921 -5.804 -18.656 1.00 0.00 C ATOM 0 H LEU A 60 6.047 -5.688 -14.248 1.00 0.00 H new ATOM 0 HA LEU A 60 4.510 -7.831 -15.431 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.951 -5.271 -15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.194 -4.974 -16.411 1.00 0.00 H new ATOM 0 HG LEU A 60 2.856 -6.711 -17.069 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.671 -4.595 -17.878 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.934 -4.574 -16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.998 -3.630 -17.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.093 -5.853 -19.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.509 -4.906 -18.847 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.553 -6.684 -18.776 1.00 0.00 H new ATOM 953 N GLY A 61 7.191 -6.813 -17.117 1.00 0.00 N ATOM 954 CA GLY A 61 7.980 -7.020 -18.360 1.00 0.00 C ATOM 955 C GLY A 61 8.199 -8.466 -18.850 1.00 0.00 C ATOM 956 O GLY A 61 7.758 -8.804 -19.949 1.00 0.00 O ATOM 0 H GLY A 61 7.609 -6.137 -16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.490 -6.467 -19.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.960 -6.566 -18.212 1.00 0.00 H new ATOM 960 N PHE A 62 8.846 -9.299 -18.017 1.00 0.00 N ATOM 961 CA PHE A 62 9.107 -10.746 -18.294 1.00 0.00 C ATOM 962 C PHE A 62 10.111 -10.922 -19.475 1.00 0.00 C ATOM 963 O PHE A 62 9.827 -10.518 -20.611 1.00 0.00 O ATOM 964 CB PHE A 62 7.869 -11.640 -18.604 1.00 0.00 C ATOM 965 CG PHE A 62 6.786 -11.559 -17.560 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.069 -11.682 -16.186 1.00 0.00 C ATOM 967 CD2 PHE A 62 5.445 -11.402 -17.961 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.040 -11.624 -15.239 1.00 0.00 C ATOM 969 CE2 PHE A 62 4.416 -11.340 -17.014 1.00 0.00 C ATOM 970 CZ PHE A 62 4.713 -11.447 -15.651 1.00 0.00 C ATOM 0 H PHE A 62 9.213 -8.994 -17.116 1.00 0.00 H new ATOM 0 HA PHE A 62 9.509 -11.093 -17.342 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.454 -11.348 -19.569 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.195 -12.676 -18.697 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.089 -11.822 -15.860 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.208 -11.329 -19.012 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.270 -11.716 -14.188 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.393 -11.210 -17.335 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.921 -11.393 -14.918 1.00 0.00 H new ATOM 980 N GLU A 63 11.204 -11.665 -19.267 1.00 0.00 N ATOM 981 CA GLU A 63 12.308 -11.675 -20.295 1.00 0.00 C ATOM 982 C GLU A 63 12.072 -12.325 -21.704 1.00 0.00 C ATOM 983 O GLU A 63 12.937 -12.006 -22.530 1.00 0.00 O ATOM 984 CB GLU A 63 13.580 -12.356 -19.724 1.00 0.00 C ATOM 985 CG GLU A 63 14.054 -11.809 -18.358 1.00 0.00 C ATOM 986 CD GLU A 63 13.513 -12.631 -17.185 1.00 0.00 C ATOM 987 OE1 GLU A 63 12.276 -12.598 -16.944 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.338 -13.307 -16.513 1.00 0.00 O ATOM 0 H GLU A 63 11.367 -12.248 -18.446 1.00 0.00 H new ATOM 0 HA GLU A 63 12.387 -10.605 -20.487 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.389 -13.424 -19.624 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.390 -12.243 -20.445 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.144 -11.809 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.732 -10.773 -18.252 1.00 0.00 H new ATOM 995 N PRO A 64 11.033 -13.100 -22.142 1.00 0.00 N ATOM 996 CA PRO A 64 10.791 -13.391 -23.589 1.00 0.00 C ATOM 997 C PRO A 64 11.080 -12.292 -24.690 1.00 0.00 C ATOM 998 O PRO A 64 11.594 -12.621 -25.760 1.00 0.00 O ATOM 999 CB PRO A 64 9.357 -13.911 -23.613 1.00 0.00 C ATOM 1000 CG PRO A 64 9.249 -14.671 -22.281 1.00 0.00 C ATOM 1001 CD PRO A 64 10.065 -13.806 -21.308 1.00 0.00 C ATOM 0 HA PRO A 64 11.556 -14.095 -23.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.633 -13.099 -23.675 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.178 -14.564 -24.467 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.213 -14.770 -21.958 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.656 -15.679 -22.360 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.424 -13.107 -20.771 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.565 -14.420 -20.559 1.00 0.00 H new ATOM 1009 N LYS A 65 10.696 -11.020 -24.446 1.00 0.00 N ATOM 1010 CA LYS A 65 10.883 -9.890 -25.400 1.00 0.00 C ATOM 1011 C LYS A 65 12.157 -9.030 -25.104 1.00 0.00 C ATOM 1012 O LYS A 65 12.645 -8.958 -23.973 1.00 0.00 O ATOM 1013 CB LYS A 65 9.626 -9.005 -25.613 1.00 0.00 C ATOM 1014 CG LYS A 65 8.879 -8.499 -24.365 1.00 0.00 C ATOM 1015 CD LYS A 65 9.577 -7.391 -23.558 1.00 0.00 C ATOM 1016 CE LYS A 65 10.108 -7.888 -22.208 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.684 -6.805 -21.382 1.00 0.00 N ATOM 0 H LYS A 65 10.243 -10.740 -23.576 1.00 0.00 H new ATOM 0 HA LYS A 65 11.051 -10.389 -26.355 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.925 -8.136 -26.199 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.918 -9.570 -26.220 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.901 -8.132 -24.677 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.705 -9.347 -23.703 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.404 -6.987 -24.143 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.876 -6.573 -23.390 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.297 -8.365 -21.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.868 -8.650 -22.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.176 -7.217 -20.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.359 -6.256 -21.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.923 -6.180 -21.049 1.00 0.00 H new ATOM 1031 N LYS A 66 12.703 -8.362 -26.141 1.00 0.00 N ATOM 1032 CA LYS A 66 14.002 -7.637 -26.029 1.00 0.00 C ATOM 1033 C LYS A 66 13.912 -6.281 -25.247 1.00 0.00 C ATOM 1034 O LYS A 66 14.487 -6.204 -24.158 1.00 0.00 O ATOM 1035 CB LYS A 66 14.647 -7.385 -27.417 1.00 0.00 C ATOM 1036 CG LYS A 66 16.092 -6.844 -27.384 1.00 0.00 C ATOM 1037 CD LYS A 66 17.096 -7.778 -26.683 1.00 0.00 C ATOM 1038 CE LYS A 66 18.539 -7.259 -26.734 1.00 0.00 C ATOM 1039 NZ LYS A 66 19.464 -8.176 -26.027 1.00 0.00 N ATOM 0 H LYS A 66 12.273 -8.305 -27.064 1.00 0.00 H new ATOM 0 HA LYS A 66 14.635 -8.306 -25.447 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.639 -8.319 -27.978 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.024 -6.678 -27.966 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.427 -6.670 -28.407 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.096 -5.878 -26.878 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.799 -7.905 -25.642 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.054 -8.762 -27.149 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.853 -7.151 -27.772 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.588 -6.269 -26.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.432 -7.800 -26.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.177 -8.259 -25.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.433 -9.114 -26.475 1.00 0.00 H new ATOM 1053 N GLU A 67 13.275 -5.221 -25.788 1.00 0.00 N ATOM 1054 CA GLU A 67 13.334 -3.861 -25.176 1.00 0.00 C ATOM 1055 C GLU A 67 12.034 -3.030 -25.444 1.00 0.00 C ATOM 1056 O GLU A 67 11.651 -2.743 -26.586 1.00 0.00 O ATOM 1057 CB GLU A 67 14.595 -3.087 -25.645 1.00 0.00 C ATOM 1058 CG GLU A 67 14.962 -1.841 -24.814 1.00 0.00 C ATOM 1059 CD GLU A 67 14.233 -0.612 -25.335 1.00 0.00 C ATOM 1060 OE1 GLU A 67 14.526 -0.196 -26.489 1.00 0.00 O ATOM 1061 OE2 GLU A 67 13.371 -0.066 -24.598 1.00 0.00 O ATOM 0 H GLU A 67 12.716 -5.271 -26.640 1.00 0.00 H new ATOM 0 HA GLU A 67 13.404 -4.005 -24.098 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.444 -3.771 -25.634 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.446 -2.780 -26.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.704 -2.007 -23.768 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.039 -1.675 -24.854 1.00 0.00 H new ATOM 1068 N GLU A 68 11.425 -2.585 -24.343 1.00 0.00 N ATOM 1069 CA GLU A 68 10.304 -1.605 -24.293 1.00 0.00 C ATOM 1070 C GLU A 68 10.522 -0.489 -23.208 1.00 0.00 C ATOM 1071 O GLU A 68 10.206 0.670 -23.488 1.00 0.00 O ATOM 1072 CB GLU A 68 8.952 -2.300 -23.956 1.00 0.00 C ATOM 1073 CG GLU A 68 9.008 -3.785 -23.520 1.00 0.00 C ATOM 1074 CD GLU A 68 9.666 -4.045 -22.162 1.00 0.00 C ATOM 1075 OE1 GLU A 68 10.908 -3.865 -22.033 1.00 0.00 O ATOM 1076 OE2 GLU A 68 8.959 -4.537 -21.242 1.00 0.00 O ATOM 0 H GLU A 68 11.701 -2.903 -23.414 1.00 0.00 H new ATOM 0 HA GLU A 68 10.278 -1.157 -25.286 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.470 -1.732 -23.160 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.308 -2.230 -24.833 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.991 -4.177 -23.493 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.548 -4.350 -24.280 1.00 0.00 H new ATOM 1083 N ILE A 69 11.030 -0.786 -21.990 1.00 0.00 N ATOM 1084 CA ILE A 69 11.138 0.225 -20.877 1.00 0.00 C ATOM 1085 C ILE A 69 12.158 1.399 -21.132 1.00 0.00 C ATOM 1086 O ILE A 69 11.928 2.495 -20.612 1.00 0.00 O ATOM 1087 CB ILE A 69 11.494 -0.456 -19.545 1.00 0.00 C ATOM 1088 CG1 ILE A 69 12.995 -0.791 -19.312 1.00 0.00 C ATOM 1089 CG2 ILE A 69 10.692 -1.766 -19.466 1.00 0.00 C ATOM 1090 CD1 ILE A 69 13.773 0.256 -18.506 1.00 0.00 C ATOM 0 H ILE A 69 11.375 -1.712 -21.739 1.00 0.00 H new ATOM 0 HA ILE A 69 10.147 0.677 -20.835 1.00 0.00 H new ATOM 0 HB ILE A 69 11.247 0.271 -18.771 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.063 -1.749 -18.796 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.479 -0.916 -20.281 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.921 -2.277 -18.531 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.626 -1.543 -19.506 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.960 -2.408 -20.305 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.809 -0.065 -18.396 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.743 1.213 -19.028 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.321 0.366 -17.520 1.00 0.00 H new ATOM 1102 N LYS A 70 13.246 1.222 -21.908 1.00 0.00 N ATOM 1103 CA LYS A 70 14.107 2.360 -22.358 1.00 0.00 C ATOM 1104 C LYS A 70 13.343 3.309 -23.351 1.00 0.00 C ATOM 1105 O LYS A 70 13.415 4.534 -23.198 1.00 0.00 O ATOM 1106 CB LYS A 70 15.453 1.950 -23.005 1.00 0.00 C ATOM 1107 CG LYS A 70 16.418 3.138 -23.179 1.00 0.00 C ATOM 1108 CD LYS A 70 17.700 2.794 -23.953 1.00 0.00 C ATOM 1109 CE LYS A 70 18.647 3.993 -24.128 1.00 0.00 C ATOM 1110 NZ LYS A 70 17.994 5.115 -24.851 1.00 0.00 N ATOM 0 H LYS A 70 13.558 0.310 -22.241 1.00 0.00 H new ATOM 0 HA LYS A 70 14.345 2.882 -21.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.930 1.188 -22.389 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.260 1.499 -23.978 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.897 3.943 -23.698 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.691 3.518 -22.195 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.228 1.996 -23.431 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.430 2.407 -24.936 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.981 4.337 -23.149 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.535 3.677 -24.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.707 5.831 -25.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.549 4.756 -25.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.268 5.545 -24.242 1.00 0.00 H new ATOM 1124 N LYS A 71 12.594 2.742 -24.323 1.00 0.00 N ATOM 1125 CA LYS A 71 11.623 3.496 -25.172 1.00 0.00 C ATOM 1126 C LYS A 71 10.502 4.203 -24.336 1.00 0.00 C ATOM 1127 O LYS A 71 10.218 5.367 -24.595 1.00 0.00 O ATOM 1128 CB LYS A 71 10.883 2.612 -26.205 1.00 0.00 C ATOM 1129 CG LYS A 71 11.814 1.853 -27.162 1.00 0.00 C ATOM 1130 CD LYS A 71 11.040 0.959 -28.144 1.00 0.00 C ATOM 1131 CE LYS A 71 11.930 0.147 -29.100 1.00 0.00 C ATOM 1132 NZ LYS A 71 12.729 -0.870 -28.384 1.00 0.00 N ATOM 0 H LYS A 71 12.640 1.748 -24.547 1.00 0.00 H new ATOM 0 HA LYS A 71 12.257 4.224 -25.678 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.262 1.892 -25.672 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.212 3.240 -26.790 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.416 2.568 -27.723 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.505 1.240 -26.583 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.416 0.270 -27.575 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.369 1.584 -28.734 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.306 -0.343 -29.848 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.598 0.822 -29.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.250 -1.450 -29.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.403 -0.398 -27.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.097 -1.479 -27.826 1.00 0.00 H new ATOM 1146 N MET A 72 9.881 3.526 -23.343 1.00 0.00 N ATOM 1147 CA MET A 72 8.809 4.111 -22.492 1.00 0.00 C ATOM 1148 C MET A 72 9.256 5.365 -21.663 1.00 0.00 C ATOM 1149 O MET A 72 8.611 6.409 -21.776 1.00 0.00 O ATOM 1150 CB MET A 72 8.293 3.049 -21.492 1.00 0.00 C ATOM 1151 CG MET A 72 6.859 3.307 -21.016 1.00 0.00 C ATOM 1152 SD MET A 72 5.631 3.216 -22.354 1.00 0.00 S ATOM 1153 CE MET A 72 5.747 1.444 -22.757 1.00 0.00 C ATOM 0 H MET A 72 10.106 2.560 -23.106 1.00 0.00 H new ATOM 0 HA MET A 72 8.034 4.434 -23.188 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.341 2.066 -21.960 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.956 3.023 -20.627 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.602 2.579 -20.246 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.809 4.292 -20.552 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.871 1.144 -23.333 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.647 1.263 -23.344 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.792 0.863 -21.836 1.00 0.00 H new ATOM 1163 N ILE A 73 10.373 5.308 -20.896 1.00 0.00 N ATOM 1164 CA ILE A 73 10.944 6.515 -20.202 1.00 0.00 C ATOM 1165 C ILE A 73 11.430 7.632 -21.198 1.00 0.00 C ATOM 1166 O ILE A 73 11.097 8.799 -21.009 1.00 0.00 O ATOM 1167 CB ILE A 73 12.037 6.149 -19.200 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.571 5.019 -18.238 1.00 0.00 C ATOM 1169 CG2 ILE A 73 12.485 7.402 -18.411 1.00 0.00 C ATOM 1170 CD1 ILE A 73 10.311 5.330 -17.419 1.00 0.00 C ATOM 0 H ILE A 73 10.901 4.450 -20.736 1.00 0.00 H new ATOM 0 HA ILE A 73 10.114 6.942 -19.639 1.00 0.00 H new ATOM 0 HB ILE A 73 12.893 5.768 -19.757 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.390 4.118 -18.824 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.385 4.793 -17.549 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.264 7.125 -17.701 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.874 8.148 -19.104 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.633 7.816 -17.872 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.072 4.479 -16.782 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.488 6.209 -16.799 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.477 5.524 -18.094 1.00 0.00 H new ATOM 1182 N SER A 74 12.152 7.276 -22.276 1.00 0.00 N ATOM 1183 CA SER A 74 12.566 8.237 -23.347 1.00 0.00 C ATOM 1184 C SER A 74 11.416 8.982 -24.124 1.00 0.00 C ATOM 1185 O SER A 74 11.598 10.120 -24.564 1.00 0.00 O ATOM 1186 CB SER A 74 13.442 7.566 -24.435 1.00 0.00 C ATOM 1187 OG SER A 74 14.558 6.897 -23.856 1.00 0.00 O ATOM 0 H SER A 74 12.470 6.321 -22.441 1.00 0.00 H new ATOM 0 HA SER A 74 13.108 8.976 -22.757 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.842 6.854 -25.001 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.792 8.320 -25.140 1.00 0.00 H new ATOM 0 HG SER A 74 14.290 5.997 -23.576 1.00 0.00 H new ATOM 1193 N GLU A 75 10.295 8.297 -24.405 1.00 0.00 N ATOM 1194 CA GLU A 75 9.117 8.838 -25.121 1.00 0.00 C ATOM 1195 C GLU A 75 8.171 9.673 -24.197 1.00 0.00 C ATOM 1196 O GLU A 75 7.615 10.686 -24.636 1.00 0.00 O ATOM 1197 CB GLU A 75 8.352 7.617 -25.688 1.00 0.00 C ATOM 1198 CG GLU A 75 7.183 7.871 -26.651 1.00 0.00 C ATOM 1199 CD GLU A 75 6.773 6.511 -27.218 1.00 0.00 C ATOM 1200 OE1 GLU A 75 7.594 5.906 -27.960 1.00 0.00 O ATOM 1201 OE2 GLU A 75 5.654 6.027 -26.903 1.00 0.00 O ATOM 0 H GLU A 75 10.175 7.321 -24.134 1.00 0.00 H new ATOM 0 HA GLU A 75 9.451 9.521 -25.902 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.074 6.982 -26.202 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.968 7.044 -24.844 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.348 8.340 -26.130 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.481 8.549 -27.451 1.00 0.00 H new ATOM 1208 N ILE A 76 7.892 9.158 -22.986 1.00 0.00 N ATOM 1209 CA ILE A 76 6.972 9.750 -21.996 1.00 0.00 C ATOM 1210 C ILE A 76 7.528 10.906 -21.076 1.00 0.00 C ATOM 1211 O ILE A 76 6.726 11.605 -20.450 1.00 0.00 O ATOM 1212 CB ILE A 76 6.179 8.772 -21.125 1.00 0.00 C ATOM 1213 CG1 ILE A 76 6.955 8.267 -19.877 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.595 7.669 -22.040 1.00 0.00 C ATOM 1215 CD1 ILE A 76 6.222 7.183 -19.083 1.00 0.00 C ATOM 0 H ILE A 76 8.314 8.289 -22.658 1.00 0.00 H new ATOM 0 HA ILE A 76 6.290 10.208 -22.712 1.00 0.00 H new ATOM 0 HB ILE A 76 5.343 9.293 -20.659 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.922 7.878 -20.196 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.154 9.113 -19.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.026 6.961 -21.438 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.940 8.122 -22.784 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.408 7.146 -22.544 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.829 6.884 -18.229 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.267 7.573 -18.731 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.047 6.319 -19.723 1.00 0.00 H new ATOM 1227 N ASP A 77 8.843 11.050 -20.922 1.00 0.00 N ATOM 1228 CA ASP A 77 9.472 11.962 -19.917 1.00 0.00 C ATOM 1229 C ASP A 77 10.120 13.187 -20.650 1.00 0.00 C ATOM 1230 O ASP A 77 11.247 13.108 -21.151 1.00 0.00 O ATOM 1231 CB ASP A 77 10.537 11.186 -19.098 1.00 0.00 C ATOM 1232 CG ASP A 77 10.795 11.830 -17.745 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.505 12.867 -17.693 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.249 11.299 -16.738 1.00 0.00 O ATOM 0 H ASP A 77 9.523 10.541 -21.487 1.00 0.00 H new ATOM 0 HA ASP A 77 8.710 12.331 -19.231 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.205 10.158 -18.953 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.468 11.143 -19.663 1.00 0.00 H new ATOM 1239 N LYS A 78 9.368 14.302 -20.775 1.00 0.00 N ATOM 1240 CA LYS A 78 9.769 15.457 -21.638 1.00 0.00 C ATOM 1241 C LYS A 78 9.451 16.872 -21.065 1.00 0.00 C ATOM 1242 O LYS A 78 10.341 17.727 -21.059 1.00 0.00 O ATOM 1243 CB LYS A 78 9.069 15.387 -23.019 1.00 0.00 C ATOM 1244 CG LYS A 78 9.616 14.267 -23.918 1.00 0.00 C ATOM 1245 CD LYS A 78 8.732 13.976 -25.136 1.00 0.00 C ATOM 1246 CE LYS A 78 9.367 12.943 -26.077 1.00 0.00 C ATOM 1247 NZ LYS A 78 8.347 12.321 -26.950 1.00 0.00 N ATOM 0 H LYS A 78 8.479 14.436 -20.293 1.00 0.00 H new ATOM 0 HA LYS A 78 10.852 15.351 -21.700 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.000 15.235 -22.870 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.187 16.343 -23.528 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.614 14.541 -24.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.720 13.356 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.761 13.611 -24.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.553 14.902 -25.683 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.130 13.424 -26.689 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.868 12.172 -25.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.814 11.870 -27.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.820 11.604 -26.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.689 13.051 -27.290 1.00 0.00 H new ATOM 1261 N GLU A 79 8.202 17.147 -20.654 1.00 0.00 N ATOM 1262 CA GLU A 79 7.743 18.527 -20.307 1.00 0.00 C ATOM 1263 C GLU A 79 7.916 18.820 -18.784 1.00 0.00 C ATOM 1264 O GLU A 79 8.600 19.770 -18.396 1.00 0.00 O ATOM 1265 CB GLU A 79 6.253 18.743 -20.673 1.00 0.00 C ATOM 1266 CG GLU A 79 5.887 18.327 -22.115 1.00 0.00 C ATOM 1267 CD GLU A 79 6.739 19.088 -23.128 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.671 20.344 -23.131 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.465 18.418 -23.910 1.00 0.00 O ATOM 0 H GLU A 79 7.479 16.435 -20.549 1.00 0.00 H new ATOM 0 HA GLU A 79 8.365 19.208 -20.888 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.634 18.178 -19.976 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.006 19.796 -20.537 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.037 17.254 -22.239 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.831 18.524 -22.299 1.00 0.00 H new ATOM 1276 N GLY A 80 7.305 17.982 -17.930 1.00 0.00 N ATOM 1277 CA GLY A 80 7.549 17.983 -16.466 1.00 0.00 C ATOM 1278 C GLY A 80 7.774 16.588 -15.834 1.00 0.00 C ATOM 1279 O GLY A 80 7.265 16.327 -14.742 1.00 0.00 O ATOM 0 H GLY A 80 6.626 17.282 -18.229 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.422 18.603 -16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.699 18.455 -15.973 1.00 0.00 H new ATOM 1283 N THR A 81 8.524 15.703 -16.525 1.00 0.00 N ATOM 1284 CA THR A 81 8.692 14.252 -16.191 1.00 0.00 C ATOM 1285 C THR A 81 7.361 13.462 -16.405 1.00 0.00 C ATOM 1286 O THR A 81 6.256 14.000 -16.286 1.00 0.00 O ATOM 1287 CB THR A 81 9.386 13.918 -14.866 1.00 0.00 C ATOM 1288 OG1 THR A 81 8.590 14.226 -13.727 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.731 14.671 -14.779 1.00 0.00 C ATOM 0 H THR A 81 9.049 15.975 -17.356 1.00 0.00 H new ATOM 0 HA THR A 81 9.426 13.900 -16.916 1.00 0.00 H new ATOM 0 HB THR A 81 9.551 12.841 -14.857 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.010 14.990 -13.930 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.222 14.431 -13.836 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.371 14.369 -15.608 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.551 15.745 -14.832 1.00 0.00 H new ATOM 1297 N GLY A 82 7.463 12.171 -16.737 1.00 0.00 N ATOM 1298 CA GLY A 82 6.315 11.360 -17.199 1.00 0.00 C ATOM 1299 C GLY A 82 5.241 10.968 -16.163 1.00 0.00 C ATOM 1300 O GLY A 82 5.480 10.313 -15.149 1.00 0.00 O ATOM 0 H GLY A 82 8.340 11.652 -16.696 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.821 11.908 -18.001 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.709 10.442 -17.635 1.00 0.00 H new ATOM 1304 N LYS A 83 4.032 11.383 -16.519 1.00 0.00 N ATOM 1305 CA LYS A 83 2.767 10.941 -15.856 1.00 0.00 C ATOM 1306 C LYS A 83 1.975 10.138 -16.927 1.00 0.00 C ATOM 1307 O LYS A 83 1.730 10.595 -18.048 1.00 0.00 O ATOM 1308 CB LYS A 83 1.839 12.006 -15.215 1.00 0.00 C ATOM 1309 CG LYS A 83 1.668 13.353 -15.945 1.00 0.00 C ATOM 1310 CD LYS A 83 2.859 14.327 -15.855 1.00 0.00 C ATOM 1311 CE LYS A 83 3.393 14.537 -14.427 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.564 15.437 -14.428 1.00 0.00 N ATOM 0 H LYS A 83 3.878 12.043 -17.282 1.00 0.00 H new ATOM 0 HA LYS A 83 3.085 10.374 -14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.851 11.561 -15.100 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.213 12.215 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.469 13.150 -16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.786 13.851 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.668 13.953 -16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.558 15.291 -16.264 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.607 14.957 -13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.669 13.576 -13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.957 15.496 -13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.287 15.065 -15.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.273 16.385 -14.742 1.00 0.00 H new ATOM 1326 N MET A 84 1.609 8.917 -16.537 1.00 0.00 N ATOM 1327 CA MET A 84 0.882 7.964 -17.408 1.00 0.00 C ATOM 1328 C MET A 84 -0.582 7.785 -16.939 1.00 0.00 C ATOM 1329 O MET A 84 -0.804 7.334 -15.813 1.00 0.00 O ATOM 1330 CB MET A 84 1.601 6.598 -17.451 1.00 0.00 C ATOM 1331 CG MET A 84 1.011 5.596 -18.453 1.00 0.00 C ATOM 1332 SD MET A 84 2.097 4.184 -18.791 1.00 0.00 S ATOM 1333 CE MET A 84 3.150 5.049 -19.987 1.00 0.00 C ATOM 0 H MET A 84 1.804 8.550 -15.606 1.00 0.00 H new ATOM 0 HA MET A 84 0.870 8.381 -18.415 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.650 6.762 -17.697 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.572 6.156 -16.455 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.059 5.228 -18.069 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.799 6.113 -19.389 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.840 4.340 -20.444 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.528 5.500 -20.760 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.716 5.828 -19.477 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.563 7.987 -17.831 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.972 7.607 -17.542 1.00 0.00 C ATOM 1345 C ASN A 85 -3.273 6.218 -18.203 1.00 0.00 C ATOM 1346 O ASN A 85 -2.465 5.653 -18.955 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.055 8.681 -17.900 1.00 0.00 C ATOM 1348 CG ASN A 85 -4.729 8.566 -19.284 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.854 8.056 -19.375 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -4.043 9.032 -20.362 1.00 0.00 N ATOM 0 H ASN A 85 -1.420 8.405 -18.750 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.054 7.537 -16.457 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.835 8.641 -17.140 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.592 9.665 -17.830 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.453 8.969 -21.294 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.118 9.445 -20.239 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.436 5.616 -17.898 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.754 4.251 -18.437 1.00 0.00 C ATOM 1359 C PHE A 86 -4.952 4.211 -19.991 1.00 0.00 C ATOM 1360 O PHE A 86 -4.534 3.228 -20.608 1.00 0.00 O ATOM 1361 CB PHE A 86 -6.066 3.730 -17.776 1.00 0.00 C ATOM 1362 CG PHE A 86 -6.357 2.275 -18.074 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -5.825 1.266 -17.257 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.175 1.905 -19.157 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -6.098 -0.083 -17.510 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.442 0.555 -19.423 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.903 -0.439 -18.598 1.00 0.00 C ATOM 0 H PHE A 86 -5.159 6.023 -17.304 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.893 3.626 -18.200 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.998 3.865 -16.697 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.903 4.337 -18.121 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.196 1.534 -16.421 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.602 2.669 -19.790 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.688 -0.848 -16.867 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.063 0.282 -20.263 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.108 -1.480 -18.801 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.529 5.252 -20.630 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.512 5.380 -22.115 1.00 0.00 C ATOM 1379 C GLY A 87 -4.084 5.412 -22.749 1.00 0.00 C ATOM 1380 O GLY A 87 -3.846 4.706 -23.734 1.00 0.00 O ATOM 0 H GLY A 87 -6.010 6.013 -20.151 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.067 4.546 -22.545 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.040 6.292 -22.394 1.00 0.00 H new ATOM 1384 N ASP A 88 -3.131 6.159 -22.136 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.680 6.096 -22.485 1.00 0.00 C ATOM 1386 C ASP A 88 -1.102 4.649 -22.307 1.00 0.00 C ATOM 1387 O ASP A 88 -0.612 4.080 -23.283 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.758 6.986 -21.607 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.150 8.458 -21.628 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.334 9.020 -22.738 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.279 9.036 -20.514 1.00 0.00 O ATOM 0 H ASP A 88 -3.341 6.821 -21.389 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.669 6.444 -23.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.785 6.624 -20.579 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.271 6.885 -21.953 1.00 0.00 H new ATOM 1396 N PHE A 89 -1.225 4.043 -21.097 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.770 2.651 -20.808 1.00 0.00 C ATOM 1398 C PHE A 89 -1.290 1.548 -21.778 1.00 0.00 C ATOM 1399 O PHE A 89 -0.497 0.748 -22.277 1.00 0.00 O ATOM 1400 CB PHE A 89 -1.131 2.252 -19.349 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.345 1.086 -18.782 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.020 0.863 -19.061 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.979 0.241 -17.857 1.00 0.00 C ATOM 1404 CE1 PHE A 89 1.729 -0.152 -18.406 1.00 0.00 C ATOM 1405 CE2 PHE A 89 -0.277 -0.780 -17.208 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.081 -0.975 -17.480 1.00 0.00 C ATOM 0 H PHE A 89 -1.644 4.505 -20.290 1.00 0.00 H new ATOM 0 HA PHE A 89 0.309 2.691 -20.959 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.979 3.118 -18.705 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.192 2.007 -19.309 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.524 1.482 -19.788 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.028 0.382 -17.643 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.778 -0.299 -18.617 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.783 -1.417 -16.498 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.627 -1.759 -16.976 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.605 1.531 -22.048 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.235 0.584 -23.000 1.00 0.00 C ATOM 1418 C LEU A 90 -2.731 0.737 -24.478 1.00 0.00 C ATOM 1419 O LEU A 90 -2.205 -0.231 -25.037 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.775 0.746 -22.975 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.568 -0.505 -23.410 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.438 -1.637 -22.371 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -7.048 -0.159 -23.660 1.00 0.00 C ATOM 0 H LEU A 90 -3.269 2.173 -21.614 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.941 -0.410 -22.664 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.081 1.019 -21.965 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.049 1.576 -23.626 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.139 -0.860 -24.347 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.007 -2.505 -22.705 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.389 -1.912 -22.261 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.826 -1.296 -21.411 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.585 -1.057 -23.965 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.489 0.234 -22.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.118 0.591 -24.448 1.00 0.00 H new ATOM 1435 N THR A 91 -2.798 1.947 -25.075 1.00 0.00 N ATOM 1436 CA THR A 91 -2.234 2.216 -26.438 1.00 0.00 C ATOM 1437 C THR A 91 -0.684 1.987 -26.547 1.00 0.00 C ATOM 1438 O THR A 91 -0.242 1.234 -27.423 1.00 0.00 O ATOM 1439 CB THR A 91 -2.608 3.582 -26.999 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.164 4.651 -26.169 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.143 3.654 -27.133 1.00 0.00 C ATOM 0 H THR A 91 -3.235 2.761 -24.643 1.00 0.00 H new ATOM 0 HA THR A 91 -2.716 1.462 -27.060 1.00 0.00 H new ATOM 0 HB THR A 91 -2.118 3.693 -27.966 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.702 4.674 -25.350 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.428 4.627 -27.534 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.487 2.869 -27.807 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.601 3.517 -26.153 1.00 0.00 H new ATOM 1449 N VAL A 92 0.136 2.603 -25.672 1.00 0.00 N ATOM 1450 CA VAL A 92 1.629 2.509 -25.742 1.00 0.00 C ATOM 1451 C VAL A 92 2.222 1.088 -25.429 1.00 0.00 C ATOM 1452 O VAL A 92 3.112 0.642 -26.160 1.00 0.00 O ATOM 1453 CB VAL A 92 2.274 3.598 -24.879 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.310 3.243 -23.376 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.676 3.935 -25.413 1.00 0.00 C ATOM 0 H VAL A 92 -0.202 3.177 -24.900 1.00 0.00 H new ATOM 0 HA VAL A 92 1.885 2.678 -26.788 1.00 0.00 H new ATOM 0 HB VAL A 92 1.643 4.484 -24.955 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.779 4.056 -22.821 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.293 3.095 -23.013 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.883 2.327 -23.232 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.125 4.710 -24.792 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.300 3.042 -25.386 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.598 4.292 -26.440 1.00 0.00 H new ATOM 1465 N MET A 93 1.747 0.374 -24.385 1.00 0.00 N ATOM 1466 CA MET A 93 2.148 -1.043 -24.122 1.00 0.00 C ATOM 1467 C MET A 93 1.659 -2.067 -25.200 1.00 0.00 C ATOM 1468 O MET A 93 2.485 -2.903 -25.579 1.00 0.00 O ATOM 1469 CB MET A 93 1.693 -1.534 -22.731 1.00 0.00 C ATOM 1470 CG MET A 93 2.216 -2.935 -22.360 1.00 0.00 C ATOM 1471 SD MET A 93 2.167 -3.280 -20.579 1.00 0.00 S ATOM 1472 CE MET A 93 3.754 -2.480 -20.210 1.00 0.00 C ATOM 0 H MET A 93 1.085 0.748 -23.705 1.00 0.00 H new ATOM 0 HA MET A 93 3.237 -1.012 -24.167 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.028 -0.821 -21.978 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.604 -1.544 -22.699 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.623 -3.685 -22.883 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.242 -3.036 -22.713 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.987 -2.604 -19.152 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.540 -2.937 -20.811 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.689 -1.418 -20.445 1.00 0.00 H new ATOM 1482 N THR A 94 0.411 -2.019 -25.737 1.00 0.00 N ATOM 1483 CA THR A 94 0.033 -2.853 -26.934 1.00 0.00 C ATOM 1484 C THR A 94 0.974 -2.562 -28.168 1.00 0.00 C ATOM 1485 O THR A 94 1.617 -3.502 -28.642 1.00 0.00 O ATOM 1486 CB THR A 94 -1.436 -2.886 -27.322 1.00 0.00 C ATOM 1487 OG1 THR A 94 -1.939 -1.634 -27.771 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.269 -3.383 -26.122 1.00 0.00 C ATOM 0 H THR A 94 -0.341 -1.431 -25.379 1.00 0.00 H new ATOM 0 HA THR A 94 0.204 -3.873 -26.589 1.00 0.00 H new ATOM 0 HB THR A 94 -1.522 -3.569 -28.167 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.087 -1.046 -27.001 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.324 -3.408 -26.397 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.943 -4.385 -25.843 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.130 -2.708 -25.278 1.00 0.00 H new ATOM 1496 N GLN A 95 1.142 -1.284 -28.606 1.00 0.00 N ATOM 1497 CA GLN A 95 2.168 -0.875 -29.615 1.00 0.00 C ATOM 1498 C GLN A 95 3.639 -1.383 -29.392 1.00 0.00 C ATOM 1499 O GLN A 95 4.271 -1.823 -30.355 1.00 0.00 O ATOM 1500 CB GLN A 95 2.242 0.673 -29.654 1.00 0.00 C ATOM 1501 CG GLN A 95 3.129 1.274 -30.759 1.00 0.00 C ATOM 1502 CD GLN A 95 3.305 2.770 -30.492 1.00 0.00 C ATOM 1503 OE1 GLN A 95 4.385 3.201 -30.068 1.00 0.00 O ATOM 1504 NE2 GLN A 95 2.220 3.564 -30.719 1.00 0.00 N ATOM 0 H GLN A 95 0.572 -0.507 -28.272 1.00 0.00 H new ATOM 0 HA GLN A 95 1.821 -1.343 -30.536 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.231 1.063 -29.773 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.608 1.025 -28.689 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.099 0.777 -30.776 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.673 1.116 -31.736 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.353 3.156 -31.069 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.275 4.566 -30.538 1.00 0.00 H new ATOM 1513 N LYS A 96 4.203 -1.283 -28.172 1.00 0.00 N ATOM 1514 CA LYS A 96 5.568 -1.814 -27.873 1.00 0.00 C ATOM 1515 C LYS A 96 5.670 -3.374 -27.739 1.00 0.00 C ATOM 1516 O LYS A 96 6.611 -3.938 -28.305 1.00 0.00 O ATOM 1517 CB LYS A 96 6.180 -1.115 -26.629 1.00 0.00 C ATOM 1518 CG LYS A 96 7.365 -0.178 -26.958 1.00 0.00 C ATOM 1519 CD LYS A 96 7.049 1.063 -27.824 1.00 0.00 C ATOM 1520 CE LYS A 96 6.315 2.187 -27.072 1.00 0.00 C ATOM 1521 NZ LYS A 96 6.152 3.409 -27.897 1.00 0.00 N ATOM 0 H LYS A 96 3.745 -0.843 -27.374 1.00 0.00 H new ATOM 0 HA LYS A 96 6.154 -1.570 -28.759 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.402 -0.539 -26.128 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.516 -1.876 -25.925 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.799 0.164 -26.019 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.130 -0.763 -27.468 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.982 1.459 -28.226 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.442 0.753 -28.675 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.334 1.830 -26.759 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.868 2.435 -26.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.698 4.153 -27.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.085 3.739 -28.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.559 3.193 -28.723 1.00 0.00 H new ATOM 1535 N MET A 97 4.790 -4.066 -26.985 1.00 0.00 N ATOM 1536 CA MET A 97 4.862 -5.552 -26.831 1.00 0.00 C ATOM 1537 C MET A 97 4.258 -6.398 -28.007 1.00 0.00 C ATOM 1538 O MET A 97 4.989 -7.225 -28.559 1.00 0.00 O ATOM 1539 CB MET A 97 4.222 -6.020 -25.506 1.00 0.00 C ATOM 1540 CG MET A 97 4.988 -5.489 -24.280 1.00 0.00 C ATOM 1541 SD MET A 97 4.397 -6.154 -22.695 1.00 0.00 S ATOM 1542 CE MET A 97 5.880 -5.688 -21.758 1.00 0.00 C ATOM 0 H MET A 97 4.023 -3.632 -26.473 1.00 0.00 H new ATOM 0 HA MET A 97 5.935 -5.744 -26.838 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.187 -5.680 -25.463 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.201 -7.109 -25.478 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.045 -5.730 -24.392 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.910 -4.402 -24.258 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.820 -6.104 -20.752 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.765 -6.078 -22.260 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.946 -4.602 -21.698 1.00 0.00 H new ATOM 1552 N SER A 98 2.953 -6.283 -28.329 1.00 0.00 N ATOM 1553 CA SER A 98 2.324 -7.023 -29.457 1.00 0.00 C ATOM 1554 C SER A 98 2.547 -6.369 -30.848 1.00 0.00 C ATOM 1555 O SER A 98 1.957 -5.282 -31.080 1.00 0.00 O ATOM 1556 CB SER A 98 0.806 -7.236 -29.244 1.00 0.00 C ATOM 1557 OG SER A 98 0.171 -6.021 -28.871 1.00 0.00 O ATOM 1558 OXT SER A 98 3.272 -6.971 -31.681 1.00 0.00 O ATOM 0 H SER A 98 2.304 -5.681 -27.822 1.00 0.00 H new ATOM 0 HA SER A 98 2.835 -7.986 -29.457 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.357 -7.620 -30.160 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.645 -7.987 -28.471 1.00 0.00 H new ATOM 0 HG SER A 98 0.790 -5.273 -29.006 1.00 0.00 H new