USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 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 26 THR OG1 : rot 180:sc= 0.00729 USER MOD Set 1.2: A 29 GLN : amide:sc= 0.00149 X(o=0.0088,f=-0.0027) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.0086) USER MOD Single : A 45 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc=-0.00136 (180deg=-0.0926) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 0.549 (180deg=0.057) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 1.7 (180deg=0.666) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.18) USER MOD Single : A 72 MET CE :methyl -145:sc= -0.0236 (180deg=-0.131) USER MOD Single : A 74 SER OG : rot -39:sc= 0.0105 USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.265) USER MOD Single : A 81 THR OG1 : rot -35:sc= 1.18 USER MOD Single : A 83 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.372) USER MOD Single : A 84 MET CE :methyl -150:sc= -0.017 (180deg=-0.056) USER MOD Single : A 85 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.89) USER MOD Single : A 91 THR OG1 : rot -75:sc= 0.868 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -67:sc= 1.05 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 130:sc= 2.05 (180deg=-0.0962) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -20:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -1.877 -8.380 -25.431 1.00 0.00 N ATOM 384 CA LEU A 25 -1.267 -9.151 -24.309 1.00 0.00 C ATOM 385 C LEU A 25 -2.318 -10.083 -23.611 1.00 0.00 C ATOM 386 O LEU A 25 -3.487 -9.711 -23.448 1.00 0.00 O ATOM 387 CB LEU A 25 -0.798 -8.114 -23.255 1.00 0.00 C ATOM 388 CG LEU A 25 0.614 -7.511 -23.475 1.00 0.00 C ATOM 389 CD1 LEU A 25 0.912 -7.064 -24.917 1.00 0.00 C ATOM 390 CD2 LEU A 25 0.865 -6.351 -22.489 1.00 0.00 C ATOM 0 HA LEU A 25 -0.457 -9.768 -24.698 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.520 -7.298 -23.231 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.820 -8.588 -22.274 1.00 0.00 H new ATOM 0 HG LEU A 25 1.307 -8.329 -23.279 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.922 -6.657 -24.970 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.830 -7.920 -25.587 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.196 -6.299 -25.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.860 -5.939 -22.657 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.119 -5.572 -22.646 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.793 -6.721 -21.466 1.00 0.00 H new ATOM 402 N THR A 26 -1.923 -11.322 -23.252 1.00 0.00 N ATOM 403 CA THR A 26 -2.906 -12.358 -22.793 1.00 0.00 C ATOM 404 C THR A 26 -3.266 -12.193 -21.280 1.00 0.00 C ATOM 405 O THR A 26 -3.015 -11.144 -20.685 1.00 0.00 O ATOM 406 CB THR A 26 -2.327 -13.743 -23.060 1.00 0.00 C ATOM 407 OG1 THR A 26 -1.014 -13.858 -22.509 1.00 0.00 O ATOM 408 CG2 THR A 26 -2.249 -13.947 -24.590 1.00 0.00 C ATOM 0 H THR A 26 -0.953 -11.637 -23.266 1.00 0.00 H new ATOM 0 HA THR A 26 -3.832 -12.229 -23.353 1.00 0.00 H new ATOM 0 HB THR A 26 -2.965 -14.495 -22.596 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.661 -14.754 -22.690 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.837 -14.933 -24.805 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.248 -13.870 -25.019 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.607 -13.182 -25.027 1.00 0.00 H new ATOM 416 N GLU A 27 -3.884 -13.202 -20.642 1.00 0.00 N ATOM 417 CA GLU A 27 -4.455 -13.054 -19.277 1.00 0.00 C ATOM 418 C GLU A 27 -3.420 -12.673 -18.160 1.00 0.00 C ATOM 419 O GLU A 27 -3.686 -11.721 -17.420 1.00 0.00 O ATOM 420 CB GLU A 27 -5.198 -14.340 -18.845 1.00 0.00 C ATOM 421 CG GLU A 27 -6.068 -14.171 -17.586 1.00 0.00 C ATOM 422 CD GLU A 27 -6.850 -15.456 -17.338 1.00 0.00 C ATOM 423 OE1 GLU A 27 -7.650 -15.839 -18.233 1.00 0.00 O ATOM 424 OE2 GLU A 27 -6.658 -16.071 -16.255 1.00 0.00 O ATOM 0 H GLU A 27 -4.005 -14.132 -21.043 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.143 -12.213 -19.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.830 -14.675 -19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.465 -15.127 -18.664 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.441 -13.941 -16.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.754 -13.333 -17.713 1.00 0.00 H new ATOM 431 N GLU A 28 -2.237 -13.318 -18.091 1.00 0.00 N ATOM 432 CA GLU A 28 -1.114 -12.877 -17.211 1.00 0.00 C ATOM 433 C GLU A 28 -0.616 -11.416 -17.512 1.00 0.00 C ATOM 434 O GLU A 28 -0.655 -10.575 -16.614 1.00 0.00 O ATOM 435 CB GLU A 28 0.080 -13.859 -17.367 1.00 0.00 C ATOM 436 CG GLU A 28 0.305 -14.361 -18.814 1.00 0.00 C ATOM 437 CD GLU A 28 1.535 -15.263 -18.879 1.00 0.00 C ATOM 438 OE1 GLU A 28 2.652 -14.760 -18.593 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.369 -16.460 -19.237 1.00 0.00 O ATOM 0 H GLU A 28 -2.026 -14.154 -18.636 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.499 -12.879 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.988 -13.367 -17.020 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.084 -14.719 -16.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.573 -14.908 -19.157 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.433 -13.511 -19.485 1.00 0.00 H new ATOM 446 N GLN A 29 -0.242 -11.082 -18.768 1.00 0.00 N ATOM 447 CA GLN A 29 0.255 -9.720 -19.137 1.00 0.00 C ATOM 448 C GLN A 29 -0.798 -8.563 -19.006 1.00 0.00 C ATOM 449 O GLN A 29 -0.478 -7.492 -18.490 1.00 0.00 O ATOM 450 CB GLN A 29 0.825 -9.785 -20.562 1.00 0.00 C ATOM 451 CG GLN A 29 2.004 -10.766 -20.711 1.00 0.00 C ATOM 452 CD GLN A 29 2.313 -10.940 -22.200 1.00 0.00 C ATOM 453 OE1 GLN A 29 3.147 -10.223 -22.763 1.00 0.00 O ATOM 454 NE2 GLN A 29 1.602 -11.908 -22.855 1.00 0.00 N ATOM 0 H GLN A 29 -0.272 -11.734 -19.552 1.00 0.00 H new ATOM 0 HA GLN A 29 1.024 -9.458 -18.410 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.031 -10.078 -21.249 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.152 -8.789 -20.859 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.880 -10.386 -20.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.755 -11.727 -20.262 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.924 -12.475 -22.346 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.750 -12.063 -23.852 1.00 0.00 H new ATOM 463 N LYS A 30 -2.046 -8.786 -19.459 1.00 0.00 N ATOM 464 CA LYS A 30 -3.212 -7.881 -19.219 1.00 0.00 C ATOM 465 C LYS A 30 -3.520 -7.623 -17.698 1.00 0.00 C ATOM 466 O LYS A 30 -3.671 -6.471 -17.277 1.00 0.00 O ATOM 467 CB LYS A 30 -4.463 -8.425 -19.947 1.00 0.00 C ATOM 468 CG LYS A 30 -5.530 -7.378 -20.298 1.00 0.00 C ATOM 469 CD LYS A 30 -6.546 -7.929 -21.315 1.00 0.00 C ATOM 470 CE LYS A 30 -7.523 -6.869 -21.846 1.00 0.00 C ATOM 471 NZ LYS A 30 -8.419 -7.431 -22.884 1.00 0.00 N ATOM 0 H LYS A 30 -2.288 -9.609 -20.011 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.936 -6.910 -19.630 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.143 -8.915 -20.867 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.922 -9.191 -19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.051 -7.070 -19.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.049 -6.489 -20.707 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.006 -8.366 -22.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.115 -8.733 -20.848 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.119 -6.476 -21.022 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.963 -6.031 -22.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.066 -6.690 -23.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.850 -7.783 -23.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.971 -8.214 -22.479 1.00 0.00 H new ATOM 485 N GLN A 31 -3.571 -8.691 -16.876 1.00 0.00 N ATOM 486 CA GLN A 31 -3.628 -8.572 -15.388 1.00 0.00 C ATOM 487 C GLN A 31 -2.398 -7.823 -14.752 1.00 0.00 C ATOM 488 O GLN A 31 -2.620 -6.995 -13.866 1.00 0.00 O ATOM 489 CB GLN A 31 -3.755 -9.975 -14.736 1.00 0.00 C ATOM 490 CG GLN A 31 -3.859 -10.013 -13.196 1.00 0.00 C ATOM 491 CD GLN A 31 -2.506 -10.380 -12.568 1.00 0.00 C ATOM 492 OE1 GLN A 31 -2.081 -11.537 -12.661 1.00 0.00 O ATOM 493 NE2 GLN A 31 -1.828 -9.389 -11.920 1.00 0.00 N ATOM 0 H GLN A 31 -3.574 -9.654 -17.211 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.510 -7.965 -15.182 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.637 -10.465 -15.149 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.891 -10.569 -15.034 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.186 -9.042 -12.825 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.614 -10.740 -12.896 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.222 -8.449 -11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.927 -9.588 -11.485 1.00 0.00 H new ATOM 502 N GLU A 32 -1.145 -8.068 -15.193 1.00 0.00 N ATOM 503 CA GLU A 32 0.059 -7.287 -14.758 1.00 0.00 C ATOM 504 C GLU A 32 0.004 -5.744 -15.046 1.00 0.00 C ATOM 505 O GLU A 32 0.321 -4.965 -14.145 1.00 0.00 O ATOM 506 CB GLU A 32 1.366 -7.800 -15.400 1.00 0.00 C ATOM 507 CG GLU A 32 1.835 -9.163 -14.861 1.00 0.00 C ATOM 508 CD GLU A 32 3.121 -9.598 -15.563 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.551 -8.907 -16.526 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.698 -10.632 -15.133 1.00 0.00 O ATOM 0 H GLU A 32 -0.928 -8.809 -15.860 1.00 0.00 H new ATOM 0 HA GLU A 32 0.048 -7.444 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.224 -7.877 -16.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.153 -7.065 -15.234 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.004 -9.098 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.057 -9.910 -15.017 1.00 0.00 H new ATOM 517 N ILE A 33 -0.416 -5.278 -16.246 1.00 0.00 N ATOM 518 CA ILE A 33 -0.639 -3.816 -16.511 1.00 0.00 C ATOM 519 C ILE A 33 -1.802 -3.224 -15.634 1.00 0.00 C ATOM 520 O ILE A 33 -1.582 -2.149 -15.062 1.00 0.00 O ATOM 521 CB ILE A 33 -0.902 -3.636 -18.020 1.00 0.00 C ATOM 522 CG1 ILE A 33 0.418 -3.396 -18.800 1.00 0.00 C ATOM 523 CG2 ILE A 33 -1.912 -2.517 -18.351 1.00 0.00 C ATOM 524 CD1 ILE A 33 1.334 -4.618 -18.922 1.00 0.00 C ATOM 0 H ILE A 33 -0.609 -5.879 -17.047 1.00 0.00 H new ATOM 0 HA ILE A 33 0.251 -3.255 -16.226 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.353 -4.575 -18.342 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.171 -3.046 -19.802 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.971 -2.595 -18.309 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.043 -2.453 -19.431 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.870 -2.741 -17.882 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.537 -1.565 -17.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.229 -4.348 -19.483 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.619 -4.960 -17.927 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.807 -5.417 -19.443 1.00 0.00 H new ATOM 536 N ARG A 34 -2.998 -3.855 -15.475 1.00 0.00 N ATOM 537 CA ARG A 34 -4.002 -3.347 -14.492 1.00 0.00 C ATOM 538 C ARG A 34 -3.478 -3.357 -13.020 1.00 0.00 C ATOM 539 O ARG A 34 -3.541 -2.305 -12.389 1.00 0.00 O ATOM 540 CB ARG A 34 -5.350 -4.117 -14.552 1.00 0.00 C ATOM 541 CG ARG A 34 -6.482 -3.487 -13.707 1.00 0.00 C ATOM 542 CD ARG A 34 -6.635 -4.074 -12.289 1.00 0.00 C ATOM 543 NE ARG A 34 -7.407 -3.119 -11.424 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.765 -3.129 -11.251 1.00 0.00 C ATOM 545 NH1 ARG A 34 -9.565 -3.992 -11.937 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.301 -2.241 -10.363 1.00 0.00 N ATOM 0 H ARG A 34 -3.286 -4.686 -15.992 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.173 -2.314 -14.793 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.676 -4.174 -15.590 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.186 -5.140 -14.213 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.300 -2.415 -13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.425 -3.610 -14.239 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.150 -5.034 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.653 -4.260 -11.854 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.876 -2.405 -10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.155 -4.652 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.574 -3.979 -11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.693 -1.599 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.309 -2.220 -10.208 1.00 0.00 H new ATOM 560 N GLU A 35 -2.948 -4.475 -12.485 1.00 0.00 N ATOM 561 CA GLU A 35 -2.355 -4.522 -11.115 1.00 0.00 C ATOM 562 C GLU A 35 -1.181 -3.504 -10.862 1.00 0.00 C ATOM 563 O GLU A 35 -1.196 -2.834 -9.826 1.00 0.00 O ATOM 564 CB GLU A 35 -1.902 -5.970 -10.804 1.00 0.00 C ATOM 565 CG GLU A 35 -1.612 -6.290 -9.321 1.00 0.00 C ATOM 566 CD GLU A 35 -0.130 -6.188 -8.953 1.00 0.00 C ATOM 567 OE1 GLU A 35 0.704 -5.847 -9.833 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.182 -6.481 -7.768 1.00 0.00 O ATOM 0 H GLU A 35 -2.914 -5.368 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.143 -4.206 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.674 -6.654 -11.157 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.002 -6.179 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.182 -5.607 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.965 -7.297 -9.099 1.00 0.00 H new ATOM 575 N ALA A 36 -0.237 -3.285 -11.810 1.00 0.00 N ATOM 576 CA ALA A 36 0.777 -2.196 -11.699 1.00 0.00 C ATOM 577 C ALA A 36 0.201 -0.740 -11.634 1.00 0.00 C ATOM 578 O ALA A 36 0.435 -0.016 -10.655 1.00 0.00 O ATOM 579 CB ALA A 36 1.773 -2.231 -12.876 1.00 0.00 C ATOM 0 H ALA A 36 -0.153 -3.844 -12.659 1.00 0.00 H new ATOM 0 HA ALA A 36 1.258 -2.408 -10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.498 -1.424 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.294 -3.188 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.232 -2.105 -13.814 1.00 0.00 H new ATOM 585 N PHE A 37 -0.589 -0.318 -12.645 1.00 0.00 N ATOM 586 CA PHE A 37 -1.271 1.008 -12.618 1.00 0.00 C ATOM 587 C PHE A 37 -2.265 1.200 -11.425 1.00 0.00 C ATOM 588 O PHE A 37 -2.227 2.265 -10.818 1.00 0.00 O ATOM 589 CB PHE A 37 -2.090 1.163 -13.926 1.00 0.00 C ATOM 590 CG PHE A 37 -2.365 2.600 -14.276 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.391 3.332 -13.649 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.611 3.221 -15.284 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.622 4.670 -13.991 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.877 4.534 -15.669 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.858 5.269 -14.996 1.00 0.00 C ATOM 0 H PHE A 37 -0.773 -0.866 -13.486 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.482 1.752 -12.507 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.549 0.692 -14.746 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.036 0.632 -13.822 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.005 2.858 -12.898 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.815 2.675 -15.767 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.387 5.236 -13.481 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.328 4.982 -16.484 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.026 6.304 -15.254 1.00 0.00 H new ATOM 605 N ASP A 38 -3.080 0.198 -11.054 1.00 0.00 N ATOM 606 CA ASP A 38 -3.899 0.211 -9.805 1.00 0.00 C ATOM 607 C ASP A 38 -3.064 0.260 -8.466 1.00 0.00 C ATOM 608 O ASP A 38 -3.481 0.949 -7.533 1.00 0.00 O ATOM 609 CB ASP A 38 -4.781 -1.072 -9.794 1.00 0.00 C ATOM 610 CG ASP A 38 -5.985 -1.025 -8.852 1.00 0.00 C ATOM 611 OD1 ASP A 38 -5.797 -1.134 -7.615 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.128 -0.946 -9.385 1.00 0.00 O ATOM 0 H ASP A 38 -3.198 -0.652 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.485 1.130 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.139 -1.256 -10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.156 -1.921 -9.517 1.00 0.00 H new ATOM 617 N LEU A 39 -1.883 -0.399 -8.347 1.00 0.00 N ATOM 618 CA LEU A 39 -0.948 -0.217 -7.213 1.00 0.00 C ATOM 619 C LEU A 39 -0.510 1.271 -6.986 1.00 0.00 C ATOM 620 O LEU A 39 -0.515 1.740 -5.843 1.00 0.00 O ATOM 621 CB LEU A 39 0.362 -1.042 -7.322 1.00 0.00 C ATOM 622 CG LEU A 39 0.237 -2.534 -6.937 1.00 0.00 C ATOM 623 CD1 LEU A 39 1.500 -3.301 -7.370 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.044 -2.741 -5.435 1.00 0.00 C ATOM 0 H LEU A 39 -1.554 -1.073 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.545 -0.575 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.728 -0.978 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.116 -0.581 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.626 -2.933 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.401 -4.351 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.622 -3.220 -8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.372 -2.876 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.122 -3.807 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.770 -2.313 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.979 -2.249 -5.169 1.00 0.00 H new ATOM 636 N PHE A 40 -0.134 1.995 -8.060 1.00 0.00 N ATOM 637 CA PHE A 40 0.193 3.448 -7.975 1.00 0.00 C ATOM 638 C PHE A 40 -1.086 4.363 -7.954 1.00 0.00 C ATOM 639 O PHE A 40 -1.171 5.251 -7.101 1.00 0.00 O ATOM 640 CB PHE A 40 1.182 3.893 -9.066 1.00 0.00 C ATOM 641 CG PHE A 40 2.450 3.100 -8.861 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.294 3.387 -7.771 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.758 1.999 -9.679 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.402 2.578 -7.494 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.854 1.178 -9.394 1.00 0.00 C ATOM 646 CZ PHE A 40 4.676 1.466 -8.301 1.00 0.00 C ATOM 0 H PHE A 40 -0.047 1.605 -8.999 1.00 0.00 H new ATOM 0 HA PHE A 40 0.690 3.579 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.769 3.711 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.380 4.962 -8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.084 4.240 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.140 1.784 -10.539 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.046 2.811 -6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.065 0.322 -10.018 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.522 0.832 -8.079 1.00 0.00 H new ATOM 656 N ASP A 41 -2.107 4.120 -8.802 1.00 0.00 N ATOM 657 CA ASP A 41 -3.436 4.786 -8.714 1.00 0.00 C ATOM 658 C ASP A 41 -4.376 4.039 -7.698 1.00 0.00 C ATOM 659 O ASP A 41 -5.293 3.303 -8.076 1.00 0.00 O ATOM 660 CB ASP A 41 -4.083 4.808 -10.132 1.00 0.00 C ATOM 661 CG ASP A 41 -5.170 5.862 -10.275 1.00 0.00 C ATOM 662 OD1 ASP A 41 -6.352 5.579 -9.952 1.00 0.00 O ATOM 663 OD2 ASP A 41 -4.838 6.996 -10.722 1.00 0.00 O ATOM 0 H ASP A 41 -2.039 3.455 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.301 5.805 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.308 4.991 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.506 3.827 -10.347 1.00 0.00 H new ATOM 668 N ALA A 42 -4.130 4.229 -6.388 1.00 0.00 N ATOM 669 CA ALA A 42 -4.801 3.411 -5.323 1.00 0.00 C ATOM 670 C ALA A 42 -6.307 3.729 -5.045 1.00 0.00 C ATOM 671 O ALA A 42 -7.118 2.805 -4.949 1.00 0.00 O ATOM 672 CB ALA A 42 -4.065 3.548 -3.977 1.00 0.00 C ATOM 0 H ALA A 42 -3.481 4.930 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.755 2.403 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.571 2.946 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.037 3.202 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.065 4.593 -3.667 1.00 0.00 H new ATOM 678 N ASP A 43 -6.674 5.011 -4.887 1.00 0.00 N ATOM 679 CA ASP A 43 -8.074 5.437 -4.593 1.00 0.00 C ATOM 680 C ASP A 43 -9.007 5.655 -5.843 1.00 0.00 C ATOM 681 O ASP A 43 -10.220 5.803 -5.672 1.00 0.00 O ATOM 682 CB ASP A 43 -8.104 6.782 -3.822 1.00 0.00 C ATOM 683 CG ASP A 43 -7.397 6.635 -2.476 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.920 5.882 -1.613 1.00 0.00 O ATOM 685 OD2 ASP A 43 -6.329 7.276 -2.295 1.00 0.00 O ATOM 0 H ASP A 43 -6.018 5.789 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.455 4.595 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.619 7.559 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.136 7.097 -3.666 1.00 0.00 H new ATOM 690 N GLY A 44 -8.469 5.690 -7.079 1.00 0.00 N ATOM 691 CA GLY A 44 -9.226 6.045 -8.303 1.00 0.00 C ATOM 692 C GLY A 44 -9.034 7.523 -8.688 1.00 0.00 C ATOM 693 O GLY A 44 -9.860 8.370 -8.337 1.00 0.00 O ATOM 0 H GLY A 44 -7.489 5.471 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.902 5.410 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.286 5.846 -8.145 1.00 0.00 H new ATOM 697 N THR A 45 -7.932 7.822 -9.388 1.00 0.00 N ATOM 698 CA THR A 45 -7.483 9.222 -9.651 1.00 0.00 C ATOM 699 C THR A 45 -7.415 9.505 -11.185 1.00 0.00 C ATOM 700 O THR A 45 -8.204 10.315 -11.684 1.00 0.00 O ATOM 701 CB THR A 45 -6.179 9.606 -8.949 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.405 8.469 -8.583 1.00 0.00 O ATOM 703 CG2 THR A 45 -6.542 10.365 -7.654 1.00 0.00 C ATOM 0 H THR A 45 -7.320 7.114 -9.792 1.00 0.00 H new ATOM 0 HA THR A 45 -8.242 9.866 -9.208 1.00 0.00 H new ATOM 0 HB THR A 45 -5.590 10.211 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.956 8.110 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.629 10.651 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.113 11.259 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.141 9.721 -7.010 1.00 0.00 H new ATOM 711 N GLY A 46 -6.479 8.887 -11.928 1.00 0.00 N ATOM 712 CA GLY A 46 -6.247 9.220 -13.360 1.00 0.00 C ATOM 713 C GLY A 46 -4.815 8.911 -13.819 1.00 0.00 C ATOM 714 O GLY A 46 -4.613 7.984 -14.605 1.00 0.00 O ATOM 0 H GLY A 46 -5.868 8.154 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.950 8.660 -13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.455 10.278 -13.520 1.00 0.00 H new ATOM 718 N THR A 47 -3.841 9.736 -13.396 1.00 0.00 N ATOM 719 CA THR A 47 -2.438 9.644 -13.900 1.00 0.00 C ATOM 720 C THR A 47 -1.462 9.032 -12.854 1.00 0.00 C ATOM 721 O THR A 47 -1.479 9.355 -11.663 1.00 0.00 O ATOM 722 CB THR A 47 -1.876 10.976 -14.388 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.977 11.992 -13.395 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.662 11.413 -15.642 1.00 0.00 C ATOM 0 H THR A 47 -3.988 10.475 -12.709 1.00 0.00 H new ATOM 0 HA THR A 47 -2.508 8.973 -14.756 1.00 0.00 H new ATOM 0 HB THR A 47 -0.819 10.838 -14.616 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.605 12.829 -13.744 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.272 12.365 -16.003 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.554 10.658 -16.421 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.716 11.526 -15.390 1.00 0.00 H new ATOM 732 N ILE A 48 -0.577 8.176 -13.375 1.00 0.00 N ATOM 733 CA ILE A 48 0.594 7.631 -12.633 1.00 0.00 C ATOM 734 C ILE A 48 1.793 8.417 -13.252 1.00 0.00 C ATOM 735 O ILE A 48 2.040 8.384 -14.469 1.00 0.00 O ATOM 736 CB ILE A 48 0.803 6.118 -12.847 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.087 5.606 -12.155 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.798 5.726 -14.342 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.413 4.134 -12.428 1.00 0.00 C ATOM 0 H ILE A 48 -0.643 7.831 -14.333 1.00 0.00 H new ATOM 0 HA ILE A 48 0.472 7.748 -11.556 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.050 5.629 -12.377 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.928 6.218 -12.481 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.986 5.749 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.949 4.651 -14.437 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.159 5.999 -14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.601 6.252 -14.859 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.329 3.861 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.593 3.508 -12.076 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.550 3.984 -13.499 1.00 0.00 H new ATOM 751 N ASP A 49 2.519 9.137 -12.393 1.00 0.00 N ATOM 752 CA ASP A 49 3.553 10.115 -12.845 1.00 0.00 C ATOM 753 C ASP A 49 4.983 9.505 -12.749 1.00 0.00 C ATOM 754 O ASP A 49 5.241 8.480 -12.113 1.00 0.00 O ATOM 755 CB ASP A 49 3.525 11.451 -12.057 1.00 0.00 C ATOM 756 CG ASP A 49 2.263 12.277 -12.347 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.408 11.852 -13.171 1.00 0.00 O ATOM 758 OD2 ASP A 49 2.155 13.377 -11.741 1.00 0.00 O ATOM 0 H ASP A 49 2.422 9.073 -11.380 1.00 0.00 H new ATOM 0 HA ASP A 49 3.306 10.336 -13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.580 11.241 -10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.407 12.039 -12.312 1.00 0.00 H new ATOM 763 N VAL A 50 5.917 10.147 -13.469 1.00 0.00 N ATOM 764 CA VAL A 50 7.301 9.660 -13.732 1.00 0.00 C ATOM 765 C VAL A 50 8.088 8.973 -12.555 1.00 0.00 C ATOM 766 O VAL A 50 8.717 7.942 -12.792 1.00 0.00 O ATOM 767 CB VAL A 50 8.140 10.746 -14.408 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.330 11.978 -13.494 1.00 0.00 C ATOM 769 CG2 VAL A 50 9.471 10.179 -14.952 1.00 0.00 C ATOM 0 H VAL A 50 5.733 11.051 -13.903 1.00 0.00 H new ATOM 0 HA VAL A 50 7.133 8.821 -14.407 1.00 0.00 H new ATOM 0 HB VAL A 50 7.585 11.102 -15.276 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.931 12.726 -14.011 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.356 12.402 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.836 11.676 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.041 10.979 -15.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.050 9.758 -14.130 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.262 9.400 -15.685 1.00 0.00 H new ATOM 779 N LYS A 51 8.033 9.486 -11.312 1.00 0.00 N ATOM 780 CA LYS A 51 8.563 8.783 -10.098 1.00 0.00 C ATOM 781 C LYS A 51 7.948 7.343 -9.867 1.00 0.00 C ATOM 782 O LYS A 51 8.664 6.331 -9.859 1.00 0.00 O ATOM 783 CB LYS A 51 8.271 9.609 -8.821 1.00 0.00 C ATOM 784 CG LYS A 51 8.773 11.063 -8.887 1.00 0.00 C ATOM 785 CD LYS A 51 8.318 11.899 -7.679 1.00 0.00 C ATOM 786 CE LYS A 51 8.688 13.384 -7.807 1.00 0.00 C ATOM 787 NZ LYS A 51 8.148 14.178 -6.676 1.00 0.00 N ATOM 0 H LYS A 51 7.623 10.397 -11.107 1.00 0.00 H new ATOM 0 HA LYS A 51 9.632 8.677 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.196 9.615 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.734 9.114 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.862 11.066 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.410 11.528 -9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.238 11.807 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.769 11.494 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.772 13.488 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.300 13.777 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.416 15.176 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.111 14.098 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.538 13.818 -5.782 1.00 0.00 H new ATOM 801 N GLU A 52 6.607 7.285 -9.723 1.00 0.00 N ATOM 802 CA GLU A 52 5.803 6.031 -9.711 1.00 0.00 C ATOM 803 C GLU A 52 5.983 5.148 -10.996 1.00 0.00 C ATOM 804 O GLU A 52 6.225 3.949 -10.860 1.00 0.00 O ATOM 805 CB GLU A 52 4.315 6.405 -9.616 1.00 0.00 C ATOM 806 CG GLU A 52 3.972 7.304 -8.416 1.00 0.00 C ATOM 807 CD GLU A 52 2.543 7.805 -8.597 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.302 8.531 -9.599 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.684 7.464 -7.745 1.00 0.00 O ATOM 0 H GLU A 52 6.036 8.122 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 52 6.152 5.449 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.019 6.913 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.724 5.491 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.066 6.747 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.666 8.143 -8.357 1.00 0.00 H new ATOM 816 N LEU A 53 5.923 5.714 -12.228 1.00 0.00 N ATOM 817 CA LEU A 53 6.255 4.979 -13.486 1.00 0.00 C ATOM 818 C LEU A 53 7.687 4.341 -13.560 1.00 0.00 C ATOM 819 O LEU A 53 7.841 3.229 -14.059 1.00 0.00 O ATOM 820 CB LEU A 53 6.083 5.917 -14.709 1.00 0.00 C ATOM 821 CG LEU A 53 5.082 5.413 -15.772 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.859 6.498 -16.840 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.489 4.076 -16.422 1.00 0.00 C ATOM 0 H LEU A 53 5.646 6.684 -12.382 1.00 0.00 H new ATOM 0 HA LEU A 53 5.554 4.144 -13.493 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.756 6.895 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.055 6.057 -15.182 1.00 0.00 H new ATOM 0 HG LEU A 53 4.146 5.213 -15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.152 6.135 -17.586 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.460 7.396 -16.369 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.807 6.733 -17.323 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.739 3.786 -17.157 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.455 4.190 -16.914 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.562 3.306 -15.654 1.00 0.00 H new ATOM 835 N LYS A 54 8.723 5.019 -13.051 1.00 0.00 N ATOM 836 CA LYS A 54 10.097 4.461 -12.875 1.00 0.00 C ATOM 837 C LYS A 54 10.193 3.210 -11.944 1.00 0.00 C ATOM 838 O LYS A 54 10.729 2.182 -12.370 1.00 0.00 O ATOM 839 CB LYS A 54 11.083 5.544 -12.382 1.00 0.00 C ATOM 840 CG LYS A 54 12.553 5.242 -12.711 1.00 0.00 C ATOM 841 CD LYS A 54 13.486 6.403 -12.321 1.00 0.00 C ATOM 842 CE LYS A 54 14.924 6.264 -12.845 1.00 0.00 C ATOM 843 NZ LYS A 54 14.972 6.336 -14.326 1.00 0.00 N ATOM 0 H LYS A 54 8.643 5.987 -12.741 1.00 0.00 H new ATOM 0 HA LYS A 54 10.373 4.118 -13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.810 6.500 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.977 5.654 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.862 4.338 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.651 5.042 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.064 7.335 -12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.514 6.481 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.545 7.053 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.344 5.315 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.960 6.426 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.560 5.470 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.430 7.162 -14.651 1.00 0.00 H new ATOM 857 N VAL A 55 9.672 3.274 -10.697 1.00 0.00 N ATOM 858 CA VAL A 55 9.529 2.043 -9.834 1.00 0.00 C ATOM 859 C VAL A 55 8.555 0.961 -10.443 1.00 0.00 C ATOM 860 O VAL A 55 8.812 -0.243 -10.314 1.00 0.00 O ATOM 861 CB VAL A 55 9.204 2.340 -8.377 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.414 3.068 -7.753 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.919 3.174 -8.244 1.00 0.00 C ATOM 0 H VAL A 55 9.346 4.136 -10.259 1.00 0.00 H new ATOM 0 HA VAL A 55 10.526 1.603 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 55 9.020 1.407 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.204 3.292 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.295 2.430 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.598 3.997 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.718 3.367 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.044 4.121 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.083 2.626 -8.678 1.00 0.00 H new ATOM 873 N ALA A 56 7.491 1.391 -11.151 1.00 0.00 N ATOM 874 CA ALA A 56 6.628 0.476 -11.958 1.00 0.00 C ATOM 875 C ALA A 56 7.393 -0.272 -13.100 1.00 0.00 C ATOM 876 O ALA A 56 7.276 -1.491 -13.218 1.00 0.00 O ATOM 877 CB ALA A 56 5.442 1.201 -12.625 1.00 0.00 C ATOM 0 H ALA A 56 7.200 2.368 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 56 6.275 -0.243 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.852 0.484 -13.197 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.816 1.656 -11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.818 1.976 -13.293 1.00 0.00 H new ATOM 883 N MET A 57 8.230 0.443 -13.879 1.00 0.00 N ATOM 884 CA MET A 57 9.181 -0.147 -14.857 1.00 0.00 C ATOM 885 C MET A 57 10.270 -1.097 -14.241 1.00 0.00 C ATOM 886 O MET A 57 10.663 -2.069 -14.896 1.00 0.00 O ATOM 887 CB MET A 57 9.890 1.025 -15.591 1.00 0.00 C ATOM 888 CG MET A 57 11.087 0.691 -16.507 1.00 0.00 C ATOM 889 SD MET A 57 12.728 0.842 -15.731 1.00 0.00 S ATOM 890 CE MET A 57 13.658 0.689 -17.284 1.00 0.00 C ATOM 0 H MET A 57 8.269 1.462 -13.850 1.00 0.00 H new ATOM 0 HA MET A 57 8.593 -0.778 -15.524 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.143 1.542 -16.194 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.235 1.731 -14.836 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.969 -0.329 -16.873 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.053 1.348 -17.376 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.726 0.752 -17.076 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.435 -0.271 -17.749 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.372 1.495 -17.960 1.00 0.00 H new ATOM 900 N ARG A 58 10.747 -0.859 -12.996 1.00 0.00 N ATOM 901 CA ARG A 58 11.606 -1.836 -12.262 1.00 0.00 C ATOM 902 C ARG A 58 10.852 -3.205 -12.056 1.00 0.00 C ATOM 903 O ARG A 58 11.312 -4.207 -12.611 1.00 0.00 O ATOM 904 CB ARG A 58 12.041 -1.369 -10.855 1.00 0.00 C ATOM 905 CG ARG A 58 12.903 -0.099 -10.840 1.00 0.00 C ATOM 906 CD ARG A 58 13.271 0.313 -9.408 1.00 0.00 C ATOM 907 NE ARG A 58 13.978 1.636 -9.436 1.00 0.00 N ATOM 908 CZ ARG A 58 14.373 2.285 -8.296 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.142 1.737 -7.067 1.00 0.00 N ATOM 910 NH2 ARG A 58 15.004 3.493 -8.391 1.00 0.00 N ATOM 0 H ARG A 58 10.556 -0.003 -12.475 1.00 0.00 H new ATOM 0 HA ARG A 58 12.490 -1.937 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.149 -1.194 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.596 -2.175 -10.375 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.813 -0.268 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.364 0.714 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.372 0.381 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.910 -0.444 -8.953 1.00 0.00 H new ATOM 0 HE ARG A 58 14.172 2.069 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.671 0.835 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.440 2.229 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.178 3.907 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.301 3.981 -7.546 1.00 0.00 H new ATOM 924 N ALA A 59 9.681 -3.247 -11.373 1.00 0.00 N ATOM 925 CA ALA A 59 8.865 -4.495 -11.263 1.00 0.00 C ATOM 926 C ALA A 59 8.253 -5.076 -12.591 1.00 0.00 C ATOM 927 O ALA A 59 8.390 -6.276 -12.836 1.00 0.00 O ATOM 928 CB ALA A 59 7.680 -4.283 -10.301 1.00 0.00 C ATOM 0 H ALA A 59 9.278 -2.442 -10.892 1.00 0.00 H new ATOM 0 HA ALA A 59 9.600 -5.219 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.097 -5.202 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.056 -4.018 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.047 -3.479 -10.675 1.00 0.00 H new ATOM 934 N LEU A 60 7.584 -4.263 -13.431 1.00 0.00 N ATOM 935 CA LEU A 60 6.916 -4.728 -14.686 1.00 0.00 C ATOM 936 C LEU A 60 7.859 -5.011 -15.899 1.00 0.00 C ATOM 937 O LEU A 60 7.581 -5.929 -16.672 1.00 0.00 O ATOM 938 CB LEU A 60 5.873 -3.668 -15.134 1.00 0.00 C ATOM 939 CG LEU A 60 4.948 -4.048 -16.316 1.00 0.00 C ATOM 940 CD1 LEU A 60 4.137 -5.328 -16.044 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.019 -2.872 -16.673 1.00 0.00 C ATOM 0 H LEU A 60 7.485 -3.261 -13.268 1.00 0.00 H new ATOM 0 HA LEU A 60 6.469 -5.686 -14.420 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.245 -3.427 -14.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.409 -2.758 -15.402 1.00 0.00 H new ATOM 0 HG LEU A 60 5.590 -4.262 -17.170 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.506 -5.548 -16.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.819 -6.161 -15.871 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.512 -5.182 -15.163 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.376 -3.156 -17.506 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.404 -2.619 -15.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.619 -2.007 -16.957 1.00 0.00 H new ATOM 953 N GLY A 61 8.949 -4.245 -16.095 1.00 0.00 N ATOM 954 CA GLY A 61 9.999 -4.587 -17.095 1.00 0.00 C ATOM 955 C GLY A 61 10.765 -5.929 -16.914 1.00 0.00 C ATOM 956 O GLY A 61 11.054 -6.573 -17.920 1.00 0.00 O ATOM 0 H GLY A 61 9.133 -3.385 -15.579 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.532 -4.598 -18.080 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.733 -3.781 -17.099 1.00 0.00 H new ATOM 960 N PHE A 62 11.119 -6.318 -15.668 1.00 0.00 N ATOM 961 CA PHE A 62 11.685 -7.658 -15.303 1.00 0.00 C ATOM 962 C PHE A 62 13.142 -7.843 -15.833 1.00 0.00 C ATOM 963 O PHE A 62 13.365 -7.948 -17.046 1.00 0.00 O ATOM 964 CB PHE A 62 10.881 -8.906 -15.766 1.00 0.00 C ATOM 965 CG PHE A 62 9.507 -8.975 -15.156 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.345 -9.272 -13.791 1.00 0.00 C ATOM 967 CD2 PHE A 62 8.362 -8.820 -15.956 1.00 0.00 C ATOM 968 CE1 PHE A 62 8.064 -9.408 -13.238 1.00 0.00 C ATOM 969 CE2 PHE A 62 7.081 -8.947 -15.405 1.00 0.00 C ATOM 970 CZ PHE A 62 6.932 -9.242 -14.045 1.00 0.00 C ATOM 0 H PHE A 62 11.021 -5.701 -14.861 1.00 0.00 H new ATOM 0 HA PHE A 62 11.637 -7.624 -14.215 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.791 -8.892 -16.852 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.435 -9.807 -15.504 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.215 -9.396 -13.163 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.471 -8.600 -17.008 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.950 -9.641 -12.190 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.209 -8.817 -16.029 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.945 -9.341 -13.618 1.00 0.00 H new ATOM 980 N GLU A 63 14.116 -8.044 -14.930 1.00 0.00 N ATOM 981 CA GLU A 63 15.564 -8.022 -15.352 1.00 0.00 C ATOM 982 C GLU A 63 16.166 -9.151 -16.262 1.00 0.00 C ATOM 983 O GLU A 63 17.239 -8.821 -16.781 1.00 0.00 O ATOM 984 CB GLU A 63 16.480 -7.910 -14.101 1.00 0.00 C ATOM 985 CG GLU A 63 16.520 -6.514 -13.428 1.00 0.00 C ATOM 986 CD GLU A 63 15.146 -6.035 -12.965 1.00 0.00 C ATOM 987 OE1 GLU A 63 14.442 -6.817 -12.275 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.766 -4.890 -13.333 1.00 0.00 O ATOM 0 H GLU A 63 13.959 -8.219 -13.937 1.00 0.00 H new ATOM 0 HA GLU A 63 15.547 -7.156 -16.013 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.149 -8.641 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.495 -8.185 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.194 -6.549 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.933 -5.790 -14.130 1.00 0.00 H new ATOM 995 N PRO A 64 15.656 -10.373 -16.589 1.00 0.00 N ATOM 996 CA PRO A 64 16.238 -11.247 -17.654 1.00 0.00 C ATOM 997 C PRO A 64 16.879 -10.627 -18.960 1.00 0.00 C ATOM 998 O PRO A 64 17.941 -11.071 -19.398 1.00 0.00 O ATOM 999 CB PRO A 64 15.120 -12.245 -17.952 1.00 0.00 C ATOM 1000 CG PRO A 64 14.443 -12.421 -16.586 1.00 0.00 C ATOM 1001 CD PRO A 64 14.495 -11.012 -15.976 1.00 0.00 C ATOM 0 HA PRO A 64 17.162 -11.665 -17.255 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.426 -11.862 -18.700 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.512 -13.188 -18.333 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.418 -12.776 -16.689 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.971 -13.146 -15.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.582 -10.457 -16.189 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.596 -11.056 -14.892 1.00 0.00 H new ATOM 1009 N LYS A 65 16.194 -9.655 -19.594 1.00 0.00 N ATOM 1010 CA LYS A 65 16.669 -8.939 -20.815 1.00 0.00 C ATOM 1011 C LYS A 65 16.384 -7.409 -20.673 1.00 0.00 C ATOM 1012 O LYS A 65 17.325 -6.611 -20.679 1.00 0.00 O ATOM 1013 CB LYS A 65 15.930 -9.463 -22.074 1.00 0.00 C ATOM 1014 CG LYS A 65 16.332 -10.904 -22.449 1.00 0.00 C ATOM 1015 CD LYS A 65 15.402 -11.656 -23.424 1.00 0.00 C ATOM 1016 CE LYS A 65 15.209 -10.999 -24.798 1.00 0.00 C ATOM 1017 NZ LYS A 65 14.164 -9.956 -24.760 1.00 0.00 N ATOM 0 H LYS A 65 15.280 -9.334 -19.275 1.00 0.00 H new ATOM 0 HA LYS A 65 17.739 -9.116 -20.921 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.855 -9.425 -21.900 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.141 -8.802 -22.915 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.330 -10.875 -22.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.403 -11.486 -21.530 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.798 -12.660 -23.574 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.425 -11.766 -22.954 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.151 -10.560 -25.127 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.939 -11.759 -25.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.242 -9.356 -25.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.226 -10.405 -24.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.287 -9.372 -23.908 1.00 0.00 H new ATOM 1031 N LYS A 66 15.100 -7.002 -20.531 1.00 0.00 N ATOM 1032 CA LYS A 66 14.676 -5.602 -20.207 1.00 0.00 C ATOM 1033 C LYS A 66 14.973 -4.520 -21.317 1.00 0.00 C ATOM 1034 O LYS A 66 15.321 -3.377 -21.003 1.00 0.00 O ATOM 1035 CB LYS A 66 15.197 -5.136 -18.820 1.00 0.00 C ATOM 1036 CG LYS A 66 14.223 -4.225 -18.052 1.00 0.00 C ATOM 1037 CD LYS A 66 14.855 -3.611 -16.792 1.00 0.00 C ATOM 1038 CE LYS A 66 13.850 -2.887 -15.884 1.00 0.00 C ATOM 1039 NZ LYS A 66 13.040 -3.849 -15.107 1.00 0.00 N ATOM 0 H LYS A 66 14.311 -7.640 -20.638 1.00 0.00 H new ATOM 0 HA LYS A 66 13.589 -5.671 -20.171 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.411 -6.014 -18.211 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.140 -4.606 -18.958 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.884 -3.425 -18.710 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.341 -4.800 -17.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.344 -4.400 -16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.631 -2.907 -17.092 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.384 -2.224 -15.203 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.194 -2.261 -16.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.102 -3.441 -14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.932 -4.730 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.515 -4.054 -14.205 1.00 0.00 H new ATOM 1053 N GLU A 67 14.744 -4.849 -22.605 1.00 0.00 N ATOM 1054 CA GLU A 67 14.774 -3.864 -23.724 1.00 0.00 C ATOM 1055 C GLU A 67 13.392 -3.145 -23.937 1.00 0.00 C ATOM 1056 O GLU A 67 12.371 -3.530 -23.366 1.00 0.00 O ATOM 1057 CB GLU A 67 15.234 -4.461 -25.081 1.00 0.00 C ATOM 1058 CG GLU A 67 14.270 -5.460 -25.762 1.00 0.00 C ATOM 1059 CD GLU A 67 14.486 -6.888 -25.279 1.00 0.00 C ATOM 1060 OE1 GLU A 67 14.272 -7.175 -24.071 1.00 0.00 O ATOM 1061 OE2 GLU A 67 14.854 -7.744 -26.132 1.00 0.00 O ATOM 0 H GLU A 67 14.533 -5.800 -22.906 1.00 0.00 H new ATOM 0 HA GLU A 67 15.520 -3.137 -23.403 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.414 -3.637 -25.772 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.190 -4.962 -24.926 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.241 -5.163 -25.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.410 -5.419 -26.842 1.00 0.00 H new ATOM 1068 N GLU A 68 13.391 -2.070 -24.754 1.00 0.00 N ATOM 1069 CA GLU A 68 12.214 -1.189 -25.092 1.00 0.00 C ATOM 1070 C GLU A 68 11.761 -0.252 -23.916 1.00 0.00 C ATOM 1071 O GLU A 68 11.457 0.924 -24.131 1.00 0.00 O ATOM 1072 CB GLU A 68 11.009 -1.802 -25.866 1.00 0.00 C ATOM 1073 CG GLU A 68 10.012 -2.655 -25.061 1.00 0.00 C ATOM 1074 CD GLU A 68 8.779 -2.948 -25.904 1.00 0.00 C ATOM 1075 OE1 GLU A 68 8.940 -3.545 -27.003 1.00 0.00 O ATOM 1076 OE2 GLU A 68 7.663 -2.559 -25.474 1.00 0.00 O ATOM 0 H GLU A 68 14.242 -1.765 -25.226 1.00 0.00 H new ATOM 0 HA GLU A 68 12.671 -0.571 -25.865 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.456 -0.985 -26.330 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.405 -2.418 -26.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.484 -3.589 -24.755 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.724 -2.130 -24.150 1.00 0.00 H new ATOM 1083 N ILE A 69 11.755 -0.770 -22.682 1.00 0.00 N ATOM 1084 CA ILE A 69 11.309 -0.048 -21.450 1.00 0.00 C ATOM 1085 C ILE A 69 12.206 1.175 -21.049 1.00 0.00 C ATOM 1086 O ILE A 69 11.671 2.175 -20.560 1.00 0.00 O ATOM 1087 CB ILE A 69 11.095 -0.927 -20.208 1.00 0.00 C ATOM 1088 CG1 ILE A 69 11.034 -2.455 -20.475 1.00 0.00 C ATOM 1089 CG2 ILE A 69 9.813 -0.427 -19.503 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.757 -2.954 -21.162 1.00 0.00 C ATOM 0 H ILE A 69 12.064 -1.723 -22.491 1.00 0.00 H new ATOM 0 HA ILE A 69 10.334 0.319 -21.771 1.00 0.00 H new ATOM 0 HB ILE A 69 11.976 -0.820 -19.575 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.889 -2.733 -21.091 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.142 -2.977 -19.524 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.628 -1.029 -18.614 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.940 0.616 -19.215 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.966 -0.515 -20.183 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.817 -4.033 -21.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.893 -2.716 -20.542 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.652 -2.468 -22.132 1.00 0.00 H new ATOM 1102 N LYS A 70 13.533 1.128 -21.286 1.00 0.00 N ATOM 1103 CA LYS A 70 14.427 2.321 -21.149 1.00 0.00 C ATOM 1104 C LYS A 70 14.066 3.502 -22.134 1.00 0.00 C ATOM 1105 O LYS A 70 14.046 4.670 -21.732 1.00 0.00 O ATOM 1106 CB LYS A 70 15.897 1.908 -21.397 1.00 0.00 C ATOM 1107 CG LYS A 70 16.945 2.995 -21.101 1.00 0.00 C ATOM 1108 CD LYS A 70 18.384 2.498 -21.319 1.00 0.00 C ATOM 1109 CE LYS A 70 19.443 3.575 -21.043 1.00 0.00 C ATOM 1110 NZ LYS A 70 20.814 3.059 -21.273 1.00 0.00 N ATOM 0 H LYS A 70 14.020 0.280 -21.574 1.00 0.00 H new ATOM 0 HA LYS A 70 14.282 2.688 -20.133 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.120 1.035 -20.784 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.000 1.601 -22.438 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.761 3.857 -21.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.833 3.333 -20.071 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.568 1.642 -20.670 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.489 2.148 -22.346 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.264 4.436 -21.687 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.351 3.922 -20.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.505 3.811 -21.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.992 2.253 -20.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.908 2.751 -22.262 1.00 0.00 H new ATOM 1124 N LYS A 71 13.756 3.183 -23.406 1.00 0.00 N ATOM 1125 CA LYS A 71 13.190 4.156 -24.381 1.00 0.00 C ATOM 1126 C LYS A 71 11.738 4.633 -24.029 1.00 0.00 C ATOM 1127 O LYS A 71 11.510 5.836 -24.110 1.00 0.00 O ATOM 1128 CB LYS A 71 13.178 3.538 -25.807 1.00 0.00 C ATOM 1129 CG LYS A 71 13.478 4.506 -26.972 1.00 0.00 C ATOM 1130 CD LYS A 71 12.461 5.638 -27.187 1.00 0.00 C ATOM 1131 CE LYS A 71 12.692 6.408 -28.496 1.00 0.00 C ATOM 1132 NZ LYS A 71 11.746 7.539 -28.630 1.00 0.00 N ATOM 0 H LYS A 71 13.888 2.248 -23.793 1.00 0.00 H new ATOM 0 HA LYS A 71 13.838 5.031 -24.336 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.909 2.730 -25.836 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.199 3.089 -25.978 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.458 4.952 -26.804 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.545 3.926 -27.892 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.454 5.220 -27.190 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.515 6.332 -26.348 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.715 6.782 -28.524 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.576 5.732 -29.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.554 7.714 -29.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.857 7.307 -28.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.162 8.392 -28.204 1.00 0.00 H new ATOM 1146 N MET A 72 10.778 3.777 -23.598 1.00 0.00 N ATOM 1147 CA MET A 72 9.430 4.246 -23.138 1.00 0.00 C ATOM 1148 C MET A 72 9.505 5.279 -21.944 1.00 0.00 C ATOM 1149 O MET A 72 8.875 6.333 -22.067 1.00 0.00 O ATOM 1150 CB MET A 72 8.519 3.082 -22.681 1.00 0.00 C ATOM 1151 CG MET A 72 8.175 2.050 -23.776 1.00 0.00 C ATOM 1152 SD MET A 72 7.181 2.690 -25.166 1.00 0.00 S ATOM 1153 CE MET A 72 8.520 2.972 -26.366 1.00 0.00 C ATOM 0 H MET A 72 10.902 2.765 -23.556 1.00 0.00 H new ATOM 0 HA MET A 72 9.007 4.732 -24.017 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.006 2.563 -21.855 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.590 3.499 -22.292 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.105 1.643 -24.173 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.635 1.222 -23.316 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.293 3.855 -26.963 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.459 3.125 -25.834 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.610 2.105 -27.021 1.00 0.00 H new ATOM 1163 N ILE A 73 10.309 5.081 -20.861 1.00 0.00 N ATOM 1164 CA ILE A 73 10.553 6.156 -19.824 1.00 0.00 C ATOM 1165 C ILE A 73 11.258 7.442 -20.391 1.00 0.00 C ATOM 1166 O ILE A 73 10.833 8.549 -20.050 1.00 0.00 O ATOM 1167 CB ILE A 73 11.348 5.614 -18.631 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.661 4.370 -18.002 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.579 6.708 -17.563 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.293 4.638 -17.360 1.00 0.00 C ATOM 0 H ILE A 73 10.798 4.205 -20.674 1.00 0.00 H new ATOM 0 HA ILE A 73 9.559 6.459 -19.494 1.00 0.00 H new ATOM 0 HB ILE A 73 12.321 5.302 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.540 3.611 -18.775 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.325 3.951 -17.245 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.146 6.290 -16.731 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.137 7.534 -18.003 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.617 7.072 -17.201 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.895 3.710 -16.950 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.404 5.370 -16.560 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.607 5.025 -18.114 1.00 0.00 H new ATOM 1182 N SER A 74 12.297 7.325 -21.243 1.00 0.00 N ATOM 1183 CA SER A 74 12.955 8.507 -21.881 1.00 0.00 C ATOM 1184 C SER A 74 12.142 9.282 -22.992 1.00 0.00 C ATOM 1185 O SER A 74 12.482 10.414 -23.336 1.00 0.00 O ATOM 1186 CB SER A 74 14.304 8.045 -22.502 1.00 0.00 C ATOM 1187 OG SER A 74 15.220 9.119 -22.689 1.00 0.00 O ATOM 0 H SER A 74 12.705 6.430 -21.511 1.00 0.00 H new ATOM 0 HA SER A 74 13.060 9.225 -21.068 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.758 7.294 -21.856 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.112 7.566 -23.462 1.00 0.00 H new ATOM 0 HG SER A 74 14.734 9.915 -22.990 1.00 0.00 H new ATOM 1193 N GLU A 75 11.169 8.625 -23.648 1.00 0.00 N ATOM 1194 CA GLU A 75 10.194 9.233 -24.589 1.00 0.00 C ATOM 1195 C GLU A 75 8.995 9.939 -23.880 1.00 0.00 C ATOM 1196 O GLU A 75 8.467 10.933 -24.376 1.00 0.00 O ATOM 1197 CB GLU A 75 9.611 8.117 -25.493 1.00 0.00 C ATOM 1198 CG GLU A 75 8.703 8.587 -26.643 1.00 0.00 C ATOM 1199 CD GLU A 75 8.317 7.377 -27.489 1.00 0.00 C ATOM 1200 OE1 GLU A 75 9.241 6.773 -28.098 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.107 7.038 -27.539 1.00 0.00 O ATOM 0 H GLU A 75 11.030 7.621 -23.538 1.00 0.00 H new ATOM 0 HA GLU A 75 10.739 9.990 -25.153 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.440 7.551 -25.919 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.044 7.429 -24.867 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.810 9.070 -26.246 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.220 9.326 -27.255 1.00 0.00 H new ATOM 1208 N ILE A 76 8.558 9.372 -22.740 1.00 0.00 N ATOM 1209 CA ILE A 76 7.309 9.760 -22.038 1.00 0.00 C ATOM 1210 C ILE A 76 7.361 11.158 -21.286 1.00 0.00 C ATOM 1211 O ILE A 76 6.301 11.710 -20.973 1.00 0.00 O ATOM 1212 CB ILE A 76 6.569 8.737 -21.174 1.00 0.00 C ATOM 1213 CG1 ILE A 76 7.390 8.163 -19.995 1.00 0.00 C ATOM 1214 CG2 ILE A 76 5.995 7.651 -22.116 1.00 0.00 C ATOM 1215 CD1 ILE A 76 7.397 9.015 -18.720 1.00 0.00 C ATOM 0 H ILE A 76 9.065 8.622 -22.271 1.00 0.00 H new ATOM 0 HA ILE A 76 6.691 9.839 -22.932 1.00 0.00 H new ATOM 0 HB ILE A 76 5.757 9.247 -20.655 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.999 7.176 -19.749 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.420 8.025 -20.325 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.460 6.905 -21.528 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.310 8.112 -22.828 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.810 7.170 -22.657 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.000 8.523 -17.957 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.819 9.996 -18.940 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.377 9.133 -18.355 1.00 0.00 H new ATOM 1227 N ASP A 77 8.540 11.720 -20.971 1.00 0.00 N ATOM 1228 CA ASP A 77 8.688 13.124 -20.460 1.00 0.00 C ATOM 1229 C ASP A 77 8.533 14.130 -21.658 1.00 0.00 C ATOM 1230 O ASP A 77 9.435 14.248 -22.493 1.00 0.00 O ATOM 1231 CB ASP A 77 10.068 13.290 -19.774 1.00 0.00 C ATOM 1232 CG ASP A 77 10.044 14.435 -18.770 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.203 15.610 -19.190 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.836 14.141 -17.561 1.00 0.00 O ATOM 0 H ASP A 77 9.428 11.226 -21.058 1.00 0.00 H new ATOM 0 HA ASP A 77 7.913 13.334 -19.723 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.340 12.364 -19.268 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.833 13.478 -20.528 1.00 0.00 H new ATOM 1239 N LYS A 78 7.365 14.810 -21.770 1.00 0.00 N ATOM 1240 CA LYS A 78 7.020 15.612 -22.987 1.00 0.00 C ATOM 1241 C LYS A 78 6.541 17.090 -22.795 1.00 0.00 C ATOM 1242 O LYS A 78 7.229 18.012 -23.238 1.00 0.00 O ATOM 1243 CB LYS A 78 5.876 14.883 -23.754 1.00 0.00 C ATOM 1244 CG LYS A 78 6.367 13.659 -24.548 1.00 0.00 C ATOM 1245 CD LYS A 78 5.521 12.373 -24.448 1.00 0.00 C ATOM 1246 CE LYS A 78 4.082 12.428 -24.985 1.00 0.00 C ATOM 1247 NZ LYS A 78 3.094 12.737 -23.927 1.00 0.00 N ATOM 0 H LYS A 78 6.648 14.824 -21.045 1.00 0.00 H new ATOM 0 HA LYS A 78 7.974 15.682 -23.509 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.114 14.565 -23.042 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.400 15.585 -24.438 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.432 13.941 -25.599 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.379 13.425 -24.218 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.049 11.581 -24.979 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.478 12.079 -23.399 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.019 13.183 -25.769 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.832 11.471 -25.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.235 12.170 -24.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.499 12.510 -22.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.852 13.748 -23.962 1.00 0.00 H new ATOM 1261 N GLU A 79 5.348 17.318 -22.223 1.00 0.00 N ATOM 1262 CA GLU A 79 4.688 18.663 -22.192 1.00 0.00 C ATOM 1263 C GLU A 79 4.906 19.407 -20.841 1.00 0.00 C ATOM 1264 O GLU A 79 5.393 20.538 -20.811 1.00 0.00 O ATOM 1265 CB GLU A 79 3.151 18.624 -22.424 1.00 0.00 C ATOM 1266 CG GLU A 79 2.677 17.597 -23.471 1.00 0.00 C ATOM 1267 CD GLU A 79 2.557 16.194 -22.879 1.00 0.00 C ATOM 1268 OE1 GLU A 79 2.754 16.026 -21.643 1.00 0.00 O ATOM 1269 OE2 GLU A 79 2.272 15.255 -23.665 1.00 0.00 O ATOM 0 H GLU A 79 4.803 16.587 -21.766 1.00 0.00 H new ATOM 0 HA GLU A 79 5.170 19.189 -23.016 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.661 18.406 -21.475 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.820 19.615 -22.733 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.711 17.906 -23.871 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.377 17.580 -24.306 1.00 0.00 H new ATOM 1276 N GLY A 80 4.483 18.770 -19.740 1.00 0.00 N ATOM 1277 CA GLY A 80 4.807 19.230 -18.369 1.00 0.00 C ATOM 1278 C GLY A 80 5.488 18.136 -17.522 1.00 0.00 C ATOM 1279 O GLY A 80 5.030 17.838 -16.418 1.00 0.00 O ATOM 0 H GLY A 80 3.910 17.926 -19.767 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.462 20.100 -18.427 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.892 19.552 -17.872 1.00 0.00 H new ATOM 1283 N THR A 81 6.549 17.532 -18.083 1.00 0.00 N ATOM 1284 CA THR A 81 7.234 16.315 -17.552 1.00 0.00 C ATOM 1285 C THR A 81 6.319 15.036 -17.651 1.00 0.00 C ATOM 1286 O THR A 81 5.165 15.070 -18.104 1.00 0.00 O ATOM 1287 CB THR A 81 7.942 16.467 -16.203 1.00 0.00 C ATOM 1288 OG1 THR A 81 7.039 16.622 -15.113 1.00 0.00 O ATOM 1289 CG2 THR A 81 8.907 17.670 -16.263 1.00 0.00 C ATOM 0 H THR A 81 6.975 17.877 -18.943 1.00 0.00 H new ATOM 0 HA THR A 81 8.076 16.166 -18.228 1.00 0.00 H new ATOM 0 HB THR A 81 8.493 15.544 -16.022 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.258 17.136 -15.406 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.412 17.780 -15.303 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.647 17.504 -17.046 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.344 18.577 -16.483 1.00 0.00 H new ATOM 1297 N GLY A 82 6.891 13.871 -17.314 1.00 0.00 N ATOM 1298 CA GLY A 82 6.257 12.552 -17.553 1.00 0.00 C ATOM 1299 C GLY A 82 5.063 12.212 -16.648 1.00 0.00 C ATOM 1300 O GLY A 82 5.148 12.071 -15.428 1.00 0.00 O ATOM 0 H GLY A 82 7.806 13.809 -16.868 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.926 12.512 -18.591 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.014 11.778 -17.430 1.00 0.00 H new ATOM 1304 N LYS A 83 3.948 12.035 -17.333 1.00 0.00 N ATOM 1305 CA LYS A 83 2.642 11.685 -16.714 1.00 0.00 C ATOM 1306 C LYS A 83 1.805 10.818 -17.693 1.00 0.00 C ATOM 1307 O LYS A 83 1.605 11.186 -18.857 1.00 0.00 O ATOM 1308 CB LYS A 83 1.834 12.968 -16.365 1.00 0.00 C ATOM 1309 CG LYS A 83 1.805 13.993 -17.515 1.00 0.00 C ATOM 1310 CD LYS A 83 1.130 15.337 -17.203 1.00 0.00 C ATOM 1311 CE LYS A 83 1.393 16.367 -18.314 1.00 0.00 C ATOM 1312 NZ LYS A 83 0.933 15.866 -19.631 1.00 0.00 N ATOM 0 H LYS A 83 3.903 12.127 -18.348 1.00 0.00 H new ATOM 0 HA LYS A 83 2.842 11.127 -15.799 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.812 12.689 -16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.268 13.435 -15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.831 14.188 -17.827 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.294 13.541 -18.365 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.056 15.189 -17.089 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.502 15.721 -16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.880 17.299 -18.078 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.459 16.592 -18.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.757 15.646 -20.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.364 15.006 -19.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.355 16.594 -20.097 1.00 0.00 H new ATOM 1326 N MET A 84 1.350 9.652 -17.211 1.00 0.00 N ATOM 1327 CA MET A 84 0.624 8.659 -18.042 1.00 0.00 C ATOM 1328 C MET A 84 -0.772 8.365 -17.441 1.00 0.00 C ATOM 1329 O MET A 84 -0.866 8.064 -16.251 1.00 0.00 O ATOM 1330 CB MET A 84 1.457 7.364 -18.191 1.00 0.00 C ATOM 1331 CG MET A 84 1.244 6.622 -19.521 1.00 0.00 C ATOM 1332 SD MET A 84 2.624 5.511 -19.950 1.00 0.00 S ATOM 1333 CE MET A 84 2.261 5.346 -21.720 1.00 0.00 C ATOM 0 H MET A 84 1.470 9.364 -16.240 1.00 0.00 H new ATOM 0 HA MET A 84 0.477 9.078 -19.038 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.514 7.613 -18.093 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.210 6.691 -17.370 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.323 6.042 -19.463 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.111 7.352 -20.320 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.595 4.369 -22.070 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.187 5.442 -21.882 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.783 6.127 -22.273 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.830 8.356 -18.269 1.00 0.00 N ATOM 1344 CA ASN A 85 -3.180 7.871 -17.833 1.00 0.00 C ATOM 1345 C ASN A 85 -3.369 6.395 -18.345 1.00 0.00 C ATOM 1346 O ASN A 85 -2.540 5.827 -19.070 1.00 0.00 O ATOM 1347 CB ASN A 85 -4.275 8.789 -18.474 1.00 0.00 C ATOM 1348 CG ASN A 85 -5.740 8.370 -18.252 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -6.417 7.963 -19.205 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -6.217 8.436 -16.977 1.00 0.00 N ATOM 0 H ASN A 85 -1.793 8.673 -19.238 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.266 7.901 -16.747 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.146 9.798 -18.083 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.093 8.838 -19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.172 8.142 -16.774 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.619 8.779 -16.226 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.435 5.720 -17.895 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.642 4.265 -18.197 1.00 0.00 C ATOM 1359 C PHE A 86 -4.980 3.965 -19.698 1.00 0.00 C ATOM 1360 O PHE A 86 -4.555 2.926 -20.215 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.797 3.731 -17.304 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.836 2.228 -17.147 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.707 1.519 -16.702 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.037 1.525 -17.348 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.779 0.145 -16.438 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.111 0.148 -17.097 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.984 -0.541 -16.634 1.00 0.00 C ATOM 0 H PHE A 86 -5.170 6.138 -17.325 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.697 3.764 -17.988 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.712 4.183 -16.316 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.746 4.063 -17.725 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.772 2.040 -16.562 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.912 2.052 -17.700 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.907 -0.384 -16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.038 -0.382 -17.261 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.044 -1.600 -16.428 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.704 4.867 -20.396 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.881 4.781 -21.873 1.00 0.00 C ATOM 1379 C GLY A 87 -4.530 4.868 -22.651 1.00 0.00 C ATOM 1380 O GLY A 87 -4.299 4.051 -23.543 1.00 0.00 O ATOM 0 H GLY A 87 -6.176 5.663 -19.967 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.378 3.843 -22.121 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.537 5.586 -22.203 1.00 0.00 H new ATOM 1384 N ASP A 88 -3.618 5.793 -22.267 1.00 0.00 N ATOM 1385 CA ASP A 88 -2.216 5.830 -22.775 1.00 0.00 C ATOM 1386 C ASP A 88 -1.433 4.510 -22.437 1.00 0.00 C ATOM 1387 O ASP A 88 -0.867 3.887 -23.335 1.00 0.00 O ATOM 1388 CB ASP A 88 -1.351 6.955 -22.143 1.00 0.00 C ATOM 1389 CG ASP A 88 -2.003 8.328 -22.259 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -2.287 8.763 -23.404 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -2.210 8.960 -21.187 1.00 0.00 O ATOM 0 H ASP A 88 -3.828 6.534 -21.599 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.344 5.986 -23.846 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.176 6.727 -21.092 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.376 6.977 -22.631 1.00 0.00 H new ATOM 1396 N PHE A 89 -1.448 4.062 -21.159 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.785 2.812 -20.684 1.00 0.00 C ATOM 1398 C PHE A 89 -1.125 1.518 -21.486 1.00 0.00 C ATOM 1399 O PHE A 89 -0.211 0.770 -21.846 1.00 0.00 O ATOM 1400 CB PHE A 89 -1.102 2.604 -19.177 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.050 1.823 -18.426 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.303 2.209 -18.448 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.429 0.761 -17.589 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.251 1.547 -17.661 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.519 0.088 -16.808 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.861 0.478 -16.845 1.00 0.00 C ATOM 0 H PHE A 89 -1.928 4.564 -20.412 1.00 0.00 H new ATOM 0 HA PHE A 89 0.281 2.967 -20.853 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.221 3.579 -18.704 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.057 2.086 -19.086 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.614 3.027 -19.081 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.465 0.459 -17.547 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.284 1.860 -17.683 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.213 -0.733 -16.177 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.594 -0.043 -16.247 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.411 1.258 -21.767 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.836 0.073 -22.564 1.00 0.00 C ATOM 1418 C LEU A 90 -2.682 0.253 -24.102 1.00 0.00 C ATOM 1419 O LEU A 90 -2.175 -0.670 -24.739 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.318 -0.329 -22.330 1.00 0.00 C ATOM 1421 CG LEU A 90 -4.566 -1.178 -21.059 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.318 -0.422 -19.746 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -5.986 -1.781 -21.070 1.00 0.00 C ATOM 0 H LEU A 90 -3.184 1.848 -21.458 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.159 -0.702 -22.204 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.920 0.577 -22.268 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.670 -0.887 -23.198 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.828 -1.979 -21.093 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.513 -1.084 -18.902 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.282 -0.085 -19.710 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.982 0.440 -19.692 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.137 -2.373 -20.167 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.722 -0.978 -21.104 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.104 -2.419 -21.946 1.00 0.00 H new ATOM 1435 N THR A 91 -3.046 1.400 -24.712 1.00 0.00 N ATOM 1436 CA THR A 91 -2.736 1.677 -26.155 1.00 0.00 C ATOM 1437 C THR A 91 -1.201 1.640 -26.478 1.00 0.00 C ATOM 1438 O THR A 91 -0.809 0.914 -27.394 1.00 0.00 O ATOM 1439 CB THR A 91 -3.350 2.953 -26.718 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.899 4.117 -26.032 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.887 2.847 -26.619 1.00 0.00 C ATOM 0 H THR A 91 -3.551 2.152 -24.244 1.00 0.00 H new ATOM 0 HA THR A 91 -3.223 0.846 -26.664 1.00 0.00 H new ATOM 0 HB THR A 91 -3.037 3.054 -27.757 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.338 4.172 -25.157 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.341 3.754 -27.019 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.230 1.986 -27.193 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.177 2.726 -25.575 1.00 0.00 H new ATOM 1449 N VAL A 92 -0.348 2.364 -25.728 1.00 0.00 N ATOM 1450 CA VAL A 92 1.142 2.319 -25.887 1.00 0.00 C ATOM 1451 C VAL A 92 1.729 0.889 -25.625 1.00 0.00 C ATOM 1452 O VAL A 92 2.342 0.340 -26.546 1.00 0.00 O ATOM 1453 CB VAL A 92 1.865 3.363 -25.038 1.00 0.00 C ATOM 1454 CG1 VAL A 92 3.399 3.259 -25.196 1.00 0.00 C ATOM 1455 CG2 VAL A 92 1.374 4.763 -25.469 1.00 0.00 C ATOM 0 H VAL A 92 -0.659 2.999 -24.993 1.00 0.00 H new ATOM 0 HA VAL A 92 1.326 2.569 -26.932 1.00 0.00 H new ATOM 0 HB VAL A 92 1.639 3.188 -23.986 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.881 4.017 -24.578 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.731 2.270 -24.882 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.669 3.417 -26.240 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.878 5.525 -24.874 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.599 4.919 -26.524 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.298 4.835 -25.313 1.00 0.00 H new ATOM 1465 N MET A 93 1.564 0.278 -24.429 1.00 0.00 N ATOM 1466 CA MET A 93 2.183 -1.059 -24.133 1.00 0.00 C ATOM 1467 C MET A 93 1.609 -2.257 -24.964 1.00 0.00 C ATOM 1468 O MET A 93 2.413 -3.068 -25.423 1.00 0.00 O ATOM 1469 CB MET A 93 2.143 -1.452 -22.640 1.00 0.00 C ATOM 1470 CG MET A 93 3.015 -0.526 -21.773 1.00 0.00 C ATOM 1471 SD MET A 93 3.217 -1.107 -20.062 1.00 0.00 S ATOM 1472 CE MET A 93 4.633 -0.034 -19.685 1.00 0.00 C ATOM 0 H MET A 93 1.021 0.670 -23.660 1.00 0.00 H new ATOM 0 HA MET A 93 3.215 -0.893 -24.440 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.113 -1.417 -22.284 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.485 -2.481 -22.527 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.998 -0.431 -22.234 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.571 0.469 -21.760 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.956 -0.206 -18.658 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.453 -0.261 -20.366 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.341 1.009 -19.804 1.00 0.00 H new ATOM 1482 N THR A 94 0.285 -2.374 -25.217 1.00 0.00 N ATOM 1483 CA THR A 94 -0.264 -3.402 -26.162 1.00 0.00 C ATOM 1484 C THR A 94 0.204 -3.176 -27.643 1.00 0.00 C ATOM 1485 O THR A 94 0.835 -4.085 -28.184 1.00 0.00 O ATOM 1486 CB THR A 94 -1.754 -3.735 -26.093 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.599 -2.709 -26.603 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.135 -4.049 -24.630 1.00 0.00 C ATOM 0 H THR A 94 -0.426 -1.780 -24.790 1.00 0.00 H new ATOM 0 HA THR A 94 0.196 -4.307 -25.764 1.00 0.00 H new ATOM 0 HB THR A 94 -1.913 -4.602 -26.735 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.541 -1.920 -26.025 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.197 -4.287 -24.574 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.553 -4.900 -24.277 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.924 -3.181 -24.005 1.00 0.00 H new ATOM 1496 N GLN A 95 -0.037 -2.004 -28.289 1.00 0.00 N ATOM 1497 CA GLN A 95 0.435 -1.750 -29.689 1.00 0.00 C ATOM 1498 C GLN A 95 1.987 -1.803 -29.928 1.00 0.00 C ATOM 1499 O GLN A 95 2.406 -2.254 -30.997 1.00 0.00 O ATOM 1500 CB GLN A 95 -0.080 -0.382 -30.202 1.00 0.00 C ATOM 1501 CG GLN A 95 0.064 -0.166 -31.720 1.00 0.00 C ATOM 1502 CD GLN A 95 -0.545 1.184 -32.117 1.00 0.00 C ATOM 1503 OE1 GLN A 95 -1.091 1.915 -31.283 1.00 0.00 O ATOM 1504 NE2 GLN A 95 -0.440 1.515 -33.438 1.00 0.00 N ATOM 0 H GLN A 95 -0.548 -1.225 -27.874 1.00 0.00 H new ATOM 0 HA GLN A 95 0.015 -2.588 -30.245 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.131 -0.281 -29.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.459 0.411 -29.684 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.116 -0.197 -32.002 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.434 -0.972 -32.259 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.020 0.878 -34.088 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.822 2.399 -33.774 1.00 0.00 H new ATOM 1513 N LYS A 96 2.838 -1.360 -28.980 1.00 0.00 N ATOM 1514 CA LYS A 96 4.308 -1.588 -29.059 1.00 0.00 C ATOM 1515 C LYS A 96 4.770 -3.080 -28.876 1.00 0.00 C ATOM 1516 O LYS A 96 5.621 -3.526 -29.654 1.00 0.00 O ATOM 1517 CB LYS A 96 5.066 -0.690 -28.043 1.00 0.00 C ATOM 1518 CG LYS A 96 6.601 -0.826 -28.036 1.00 0.00 C ATOM 1519 CD LYS A 96 7.296 -0.537 -29.381 1.00 0.00 C ATOM 1520 CE LYS A 96 8.618 -1.299 -29.573 1.00 0.00 C ATOM 1521 NZ LYS A 96 8.409 -2.767 -29.509 1.00 0.00 N ATOM 0 H LYS A 96 2.541 -0.844 -28.152 1.00 0.00 H new ATOM 0 HA LYS A 96 4.563 -1.317 -30.084 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.814 0.350 -28.249 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.696 -0.915 -27.043 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.005 -0.148 -27.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.858 -1.838 -27.724 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.617 -0.796 -30.193 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.490 0.533 -29.457 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.057 -1.034 -30.535 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.329 -0.997 -28.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.859 -3.218 -30.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.831 -3.140 -28.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.390 -2.973 -29.517 1.00 0.00 H new ATOM 1535 N MET A 97 4.310 -3.818 -27.848 1.00 0.00 N ATOM 1536 CA MET A 97 4.742 -5.234 -27.619 1.00 0.00 C ATOM 1537 C MET A 97 4.104 -6.276 -28.601 1.00 0.00 C ATOM 1538 O MET A 97 4.856 -6.992 -29.266 1.00 0.00 O ATOM 1539 CB MET A 97 4.441 -5.672 -26.170 1.00 0.00 C ATOM 1540 CG MET A 97 5.183 -4.820 -25.124 1.00 0.00 C ATOM 1541 SD MET A 97 4.714 -5.183 -23.402 1.00 0.00 S ATOM 1542 CE MET A 97 5.638 -3.793 -22.685 1.00 0.00 C ATOM 0 H MET A 97 3.642 -3.471 -27.159 1.00 0.00 H new ATOM 0 HA MET A 97 5.815 -5.230 -27.811 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.368 -5.606 -25.991 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.722 -6.718 -26.045 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.256 -4.977 -25.238 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.991 -3.766 -25.327 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.510 -3.791 -21.603 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.696 -3.897 -22.925 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.263 -2.856 -23.096 1.00 0.00 H new ATOM 1552 N SER A 98 2.764 -6.408 -28.657 1.00 0.00 N ATOM 1553 CA SER A 98 2.075 -7.235 -29.685 1.00 0.00 C ATOM 1554 C SER A 98 1.931 -6.509 -31.056 1.00 0.00 C ATOM 1555 O SER A 98 1.144 -5.527 -31.103 1.00 0.00 O ATOM 1556 CB SER A 98 0.692 -7.738 -29.214 1.00 0.00 C ATOM 1557 OG SER A 98 -0.179 -6.653 -28.926 1.00 0.00 O ATOM 1558 OXT SER A 98 2.568 -6.957 -32.042 1.00 0.00 O ATOM 0 H SER A 98 2.129 -5.953 -28.002 1.00 0.00 H new ATOM 0 HA SER A 98 2.725 -8.098 -29.828 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.249 -8.368 -29.985 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.811 -8.358 -28.325 1.00 0.00 H new ATOM 0 HG SER A 98 0.349 -5.842 -28.770 1.00 0.00 H new