USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 147:sc= -2.71 (180deg=-1.71) USER MOD Set 1.2: A 37 TYR OH : rot -173:sc= 0.984 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -0.601 K(o=-2.3,f=-8.3!) USER MOD Single : A 30 SER OG : rot -37:sc= 0.00222 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.018) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 MET CE :methyl -171:sc= -7.9! (180deg=-8.71!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.0345 K(o=0.034,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.737 K(o=-0.74,f=-2.7!) USER MOD Single : A 77 SER OG : rot 139:sc= 0.367 USER MOD Single : A 79 HIS : no HD1:sc= -0.0742 X(o=-0.074,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -123:sc= -3.59! (180deg=-7.12!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.110 -24.786 27.310 1.00 0.00 N ATOM 331 CA VAL A 25 27.866 -24.146 26.899 1.00 0.00 C ATOM 332 C VAL A 25 28.136 -22.816 26.203 1.00 0.00 C ATOM 333 O VAL A 25 27.378 -22.397 25.328 1.00 0.00 O ATOM 334 CB VAL A 25 26.935 -23.903 28.102 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.661 -23.201 27.658 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.616 -25.215 28.801 1.00 0.00 C ATOM 0 HA VAL A 25 27.376 -24.826 26.201 1.00 0.00 H new ATOM 0 HB VAL A 25 27.448 -23.255 28.812 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.016 -23.038 28.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.913 -22.241 27.207 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.140 -23.820 26.928 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.957 -25.025 29.648 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.122 -25.889 28.101 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.540 -25.673 29.155 1.00 0.00 H new ATOM 346 N ASP A 26 29.221 -22.158 26.597 1.00 0.00 N ATOM 347 CA ASP A 26 29.593 -20.876 26.010 1.00 0.00 C ATOM 348 C ASP A 26 29.885 -21.025 24.520 1.00 0.00 C ATOM 349 O ASP A 26 29.581 -20.135 23.725 1.00 0.00 O ATOM 350 CB ASP A 26 30.814 -20.298 26.726 1.00 0.00 C ATOM 351 CG ASP A 26 30.643 -20.270 28.232 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.489 -20.155 28.695 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.662 -20.363 28.948 1.00 0.00 O ATOM 0 H ASP A 26 29.858 -22.491 27.320 1.00 0.00 H new ATOM 0 HA ASP A 26 28.753 -20.192 26.131 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.693 -20.891 26.474 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.998 -19.286 26.365 1.00 0.00 H new ATOM 358 N ASP A 27 30.477 -22.155 24.148 1.00 0.00 N ATOM 359 CA ASP A 27 30.810 -22.421 22.753 1.00 0.00 C ATOM 360 C ASP A 27 29.575 -22.865 21.975 1.00 0.00 C ATOM 361 O ASP A 27 29.288 -22.343 20.898 1.00 0.00 O ATOM 362 CB ASP A 27 31.898 -23.491 22.662 1.00 0.00 C ATOM 363 CG ASP A 27 32.857 -23.246 21.513 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.860 -22.532 21.721 1.00 0.00 O ATOM 365 OD2 ASP A 27 32.603 -23.767 20.407 1.00 0.00 O ATOM 0 H ASP A 27 30.736 -22.901 24.793 1.00 0.00 H new ATOM 0 HA ASP A 27 31.183 -21.497 22.311 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.456 -23.518 23.598 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.432 -24.469 22.540 1.00 0.00 H new ATOM 370 N TRP A 28 28.851 -23.831 22.527 1.00 0.00 N ATOM 371 CA TRP A 28 27.647 -24.346 21.884 1.00 0.00 C ATOM 372 C TRP A 28 26.694 -23.212 21.524 1.00 0.00 C ATOM 373 O TRP A 28 26.320 -23.047 20.362 1.00 0.00 O ATOM 374 CB TRP A 28 26.944 -25.349 22.799 1.00 0.00 C ATOM 375 CG TRP A 28 25.527 -25.628 22.398 1.00 0.00 C ATOM 376 CD1 TRP A 28 25.081 -25.982 21.157 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.371 -25.573 23.241 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.718 -26.151 21.177 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.258 -25.907 22.444 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.168 -25.277 24.592 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.964 -25.951 22.955 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.882 -25.321 25.097 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.794 -25.656 24.280 1.00 0.00 C ATOM 0 H TRP A 28 29.076 -24.274 23.418 1.00 0.00 H new ATOM 0 HA TRP A 28 27.944 -24.851 20.965 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.504 -26.284 22.800 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.957 -24.969 23.820 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.708 -26.110 20.287 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.142 -26.415 20.378 1.00 0.00 H new ATOM 0 HE3 TRP A 28 25.001 -25.019 25.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.124 -26.209 22.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.713 -25.093 26.139 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.801 -25.682 24.705 1.00 0.00 H new ATOM 394 N LEU A 29 26.305 -22.432 22.527 1.00 0.00 N ATOM 395 CA LEU A 29 25.395 -21.312 22.315 1.00 0.00 C ATOM 396 C LEU A 29 25.942 -20.357 21.259 1.00 0.00 C ATOM 397 O LEU A 29 25.187 -19.796 20.465 1.00 0.00 O ATOM 398 CB LEU A 29 25.166 -20.560 23.628 1.00 0.00 C ATOM 399 CG LEU A 29 24.429 -21.332 24.724 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.179 -20.440 25.929 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.119 -21.893 24.192 1.00 0.00 C ATOM 0 H LEU A 29 26.605 -22.555 23.494 1.00 0.00 H new ATOM 0 HA LEU A 29 24.445 -21.711 21.960 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.135 -20.249 24.019 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.604 -19.652 23.410 1.00 0.00 H new ATOM 0 HG LEU A 29 25.056 -22.166 25.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.654 -21.006 26.698 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.132 -20.087 26.325 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.572 -19.586 25.630 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.608 -22.439 24.985 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.486 -21.075 23.849 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.323 -22.568 23.360 1.00 0.00 H new ATOM 413 N SER A 30 27.259 -20.180 21.254 1.00 0.00 N ATOM 414 CA SER A 30 27.907 -19.292 20.296 1.00 0.00 C ATOM 415 C SER A 30 27.835 -19.869 18.885 1.00 0.00 C ATOM 416 O SER A 30 28.014 -19.154 17.900 1.00 0.00 O ATOM 417 CB SER A 30 29.367 -19.061 20.690 1.00 0.00 C ATOM 418 OG SER A 30 29.882 -17.893 20.076 1.00 0.00 O ATOM 0 H SER A 30 27.898 -20.640 21.902 1.00 0.00 H new ATOM 0 HA SER A 30 27.379 -18.338 20.307 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.445 -18.970 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.966 -19.923 20.398 1.00 0.00 H new ATOM 0 HG SER A 30 29.519 -17.813 19.169 1.00 0.00 H new ATOM 424 N ALA A 31 27.570 -21.169 18.797 1.00 0.00 N ATOM 425 CA ALA A 31 27.471 -21.843 17.509 1.00 0.00 C ATOM 426 C ALA A 31 26.046 -21.787 16.968 1.00 0.00 C ATOM 427 O ALA A 31 25.791 -22.171 15.826 1.00 0.00 O ATOM 428 CB ALA A 31 27.935 -23.287 17.631 1.00 0.00 C ATOM 0 H ALA A 31 27.420 -21.776 19.603 1.00 0.00 H new ATOM 0 HA ALA A 31 28.120 -21.323 16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.855 -23.778 16.661 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.972 -23.309 17.965 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.310 -23.810 18.355 1.00 0.00 H new ATOM 434 N ILE A 32 25.123 -21.308 17.794 1.00 0.00 N ATOM 435 CA ILE A 32 23.724 -21.202 17.397 1.00 0.00 C ATOM 436 C ILE A 32 23.228 -19.764 17.510 1.00 0.00 C ATOM 437 O ILE A 32 22.030 -19.500 17.417 1.00 0.00 O ATOM 438 CB ILE A 32 22.825 -22.112 18.255 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.157 -21.940 19.739 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.988 -23.565 17.835 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.305 -22.796 20.651 1.00 0.00 C ATOM 0 H ILE A 32 25.318 -20.987 18.742 1.00 0.00 H new ATOM 0 HA ILE A 32 23.666 -21.523 16.357 1.00 0.00 H new ATOM 0 HB ILE A 32 21.786 -21.824 18.099 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.207 -22.186 19.899 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.029 -20.893 20.013 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.346 -24.196 18.450 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.707 -23.675 16.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 24.027 -23.867 17.966 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.595 -22.623 21.688 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.255 -22.535 20.519 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.451 -23.848 20.404 1.00 0.00 H new ATOM 453 N LYS A 33 24.159 -18.837 17.709 1.00 0.00 N ATOM 454 CA LYS A 33 23.819 -17.424 17.831 1.00 0.00 C ATOM 455 C LYS A 33 23.023 -17.165 19.106 1.00 0.00 C ATOM 456 O LYS A 33 22.444 -16.093 19.280 1.00 0.00 O ATOM 457 CB LYS A 33 23.015 -16.965 16.613 1.00 0.00 C ATOM 458 CG LYS A 33 23.569 -17.471 15.293 1.00 0.00 C ATOM 459 CD LYS A 33 23.687 -16.352 14.271 1.00 0.00 C ATOM 460 CE LYS A 33 23.398 -16.850 12.863 1.00 0.00 C ATOM 461 NZ LYS A 33 22.971 -15.744 11.961 1.00 0.00 N ATOM 0 H LYS A 33 25.156 -19.039 17.789 1.00 0.00 H new ATOM 0 HA LYS A 33 24.747 -16.855 17.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.985 -17.305 16.719 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.991 -15.875 16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.549 -17.920 15.457 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.921 -18.255 14.902 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.992 -15.551 14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.690 -15.927 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.290 -17.327 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.618 -17.611 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.783 -16.124 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.106 -15.305 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.725 -15.030 11.906 1.00 0.00 H new ATOM 475 N MET A 34 22.998 -18.153 19.995 1.00 0.00 N ATOM 476 CA MET A 34 22.275 -18.029 21.255 1.00 0.00 C ATOM 477 C MET A 34 23.240 -17.822 22.418 1.00 0.00 C ATOM 478 O MET A 34 22.913 -18.112 23.569 1.00 0.00 O ATOM 479 CB MET A 34 21.421 -19.274 21.502 1.00 0.00 C ATOM 480 CG MET A 34 20.495 -19.615 20.345 1.00 0.00 C ATOM 481 SD MET A 34 19.379 -18.262 19.928 1.00 0.00 S ATOM 482 CE MET A 34 18.271 -18.290 21.335 1.00 0.00 C ATOM 0 H MET A 34 23.470 -19.048 19.866 1.00 0.00 H new ATOM 0 HA MET A 34 21.624 -17.158 21.187 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.077 -20.123 21.694 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.825 -19.123 22.402 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.092 -19.871 19.470 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.910 -20.498 20.601 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.939 -17.276 21.557 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.406 -18.912 21.105 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.792 -18.699 22.200 1.00 0.00 H new ATOM 492 N VAL A 35 24.431 -17.319 22.110 1.00 0.00 N ATOM 493 CA VAL A 35 25.444 -17.072 23.130 1.00 0.00 C ATOM 494 C VAL A 35 24.928 -16.110 24.194 1.00 0.00 C ATOM 495 O VAL A 35 25.440 -16.076 25.313 1.00 0.00 O ATOM 496 CB VAL A 35 26.732 -16.496 22.514 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.673 -14.977 22.474 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.952 -16.970 23.290 1.00 0.00 C ATOM 0 H VAL A 35 24.718 -17.074 21.162 1.00 0.00 H new ATOM 0 HA VAL A 35 25.670 -18.033 23.592 1.00 0.00 H new ATOM 0 HB VAL A 35 26.817 -16.859 21.490 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.592 -14.589 22.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.822 -14.662 21.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.563 -14.590 23.487 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.853 -16.553 22.841 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.876 -16.638 24.326 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.002 -18.058 23.260 1.00 0.00 H new ATOM 508 N GLN A 36 23.913 -15.330 23.838 1.00 0.00 N ATOM 509 CA GLN A 36 23.328 -14.367 24.763 1.00 0.00 C ATOM 510 C GLN A 36 22.878 -15.052 26.050 1.00 0.00 C ATOM 511 O GLN A 36 22.800 -14.422 27.105 1.00 0.00 O ATOM 512 CB GLN A 36 22.143 -13.654 24.109 1.00 0.00 C ATOM 513 CG GLN A 36 20.926 -14.544 23.922 1.00 0.00 C ATOM 514 CD GLN A 36 19.763 -13.815 23.279 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.222 -12.864 23.845 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.370 -14.258 22.090 1.00 0.00 N ATOM 0 H GLN A 36 23.478 -15.346 22.915 1.00 0.00 H new ATOM 0 HA GLN A 36 24.092 -13.631 25.013 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.864 -12.795 24.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.453 -13.268 23.138 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.198 -15.401 23.305 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.614 -14.935 24.891 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.847 -15.049 21.657 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.591 -13.807 21.610 1.00 0.00 H new ATOM 525 N TYR A 37 22.584 -16.343 25.954 1.00 0.00 N ATOM 526 CA TYR A 37 22.139 -17.113 27.110 1.00 0.00 C ATOM 527 C TYR A 37 23.281 -17.946 27.682 1.00 0.00 C ATOM 528 O TYR A 37 23.058 -18.997 28.283 1.00 0.00 O ATOM 529 CB TYR A 37 20.972 -18.024 26.724 1.00 0.00 C ATOM 530 CG TYR A 37 19.762 -17.275 26.214 1.00 0.00 C ATOM 531 CD1 TYR A 37 18.963 -16.536 27.078 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.417 -17.306 24.868 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.856 -15.850 26.617 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.312 -16.622 24.398 1.00 0.00 C ATOM 535 CZ TYR A 37 17.535 -15.896 25.276 1.00 0.00 C ATOM 536 OH TYR A 37 16.433 -15.215 24.812 1.00 0.00 O ATOM 0 H TYR A 37 22.646 -16.879 25.088 1.00 0.00 H new ATOM 0 HA TYR A 37 21.806 -16.412 27.875 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.306 -18.723 25.957 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.683 -18.617 27.592 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.212 -16.497 28.128 1.00 0.00 H new ATOM 0 HD2 TYR A 37 20.023 -17.874 24.178 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.245 -15.281 27.302 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.058 -16.656 23.349 1.00 0.00 H new ATOM 0 HH TYR A 37 16.281 -15.441 23.871 1.00 0.00 H new ATOM 546 N ARG A 38 24.507 -17.468 27.492 1.00 0.00 N ATOM 547 CA ARG A 38 25.685 -18.168 27.988 1.00 0.00 C ATOM 548 C ARG A 38 25.795 -18.040 29.504 1.00 0.00 C ATOM 549 O ARG A 38 26.365 -18.904 30.171 1.00 0.00 O ATOM 550 CB ARG A 38 26.949 -17.616 27.326 1.00 0.00 C ATOM 551 CG ARG A 38 27.268 -16.183 27.722 1.00 0.00 C ATOM 552 CD ARG A 38 28.678 -15.792 27.309 1.00 0.00 C ATOM 553 NE ARG A 38 28.725 -15.272 25.945 1.00 0.00 N ATOM 554 CZ ARG A 38 29.812 -14.737 25.400 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.936 -14.653 26.099 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.777 -14.286 24.153 1.00 0.00 N ATOM 0 H ARG A 38 24.710 -16.599 26.998 1.00 0.00 H new ATOM 0 HA ARG A 38 25.582 -19.224 27.736 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.794 -18.253 27.588 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.834 -17.668 26.243 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.551 -15.507 27.256 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.159 -16.069 28.801 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.062 -15.039 27.997 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.333 -16.660 27.389 1.00 0.00 H new ATOM 0 HE ARG A 38 27.877 -15.322 25.380 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.967 -15.000 27.058 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.769 -14.242 25.678 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.915 -14.350 23.612 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.612 -13.875 23.736 1.00 0.00 H new ATOM 570 N ASP A 39 25.247 -16.956 30.043 1.00 0.00 N ATOM 571 CA ASP A 39 25.283 -16.715 31.480 1.00 0.00 C ATOM 572 C ASP A 39 24.076 -17.347 32.168 1.00 0.00 C ATOM 573 O ASP A 39 24.138 -17.710 33.342 1.00 0.00 O ATOM 574 CB ASP A 39 25.319 -15.213 31.766 1.00 0.00 C ATOM 575 CG ASP A 39 26.705 -14.729 32.145 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.289 -15.288 33.097 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.205 -13.792 31.489 1.00 0.00 O ATOM 0 H ASP A 39 24.773 -16.230 29.506 1.00 0.00 H new ATOM 0 HA ASP A 39 26.188 -17.175 31.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.976 -14.670 30.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.624 -14.983 32.573 1.00 0.00 H new ATOM 582 N SER A 40 22.980 -17.475 31.428 1.00 0.00 N ATOM 583 CA SER A 40 21.757 -18.059 31.967 1.00 0.00 C ATOM 584 C SER A 40 21.992 -19.501 32.407 1.00 0.00 C ATOM 585 O SER A 40 21.498 -19.933 33.449 1.00 0.00 O ATOM 586 CB SER A 40 20.639 -18.008 30.924 1.00 0.00 C ATOM 587 OG SER A 40 19.653 -17.054 31.280 1.00 0.00 O ATOM 0 H SER A 40 22.913 -17.182 30.453 1.00 0.00 H new ATOM 0 HA SER A 40 21.458 -17.475 32.838 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.058 -17.757 29.949 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.180 -18.992 30.830 1.00 0.00 H new ATOM 0 HG SER A 40 18.950 -17.039 30.597 1.00 0.00 H new ATOM 593 N PHE A 41 22.750 -20.242 31.605 1.00 0.00 N ATOM 594 CA PHE A 41 23.051 -21.636 31.910 1.00 0.00 C ATOM 595 C PHE A 41 24.151 -21.737 32.962 1.00 0.00 C ATOM 596 O PHE A 41 24.063 -22.538 33.894 1.00 0.00 O ATOM 597 CB PHE A 41 23.473 -22.378 30.640 1.00 0.00 C ATOM 598 CG PHE A 41 22.352 -22.575 29.660 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.282 -23.401 29.969 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.367 -21.936 28.432 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.250 -23.585 29.069 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.337 -22.116 27.528 1.00 0.00 C ATOM 603 CZ PHE A 41 20.277 -22.941 27.847 1.00 0.00 C ATOM 0 H PHE A 41 23.167 -19.900 30.739 1.00 0.00 H new ATOM 0 HA PHE A 41 22.148 -22.098 32.309 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.276 -21.823 30.155 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.879 -23.351 30.915 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.255 -23.906 30.923 1.00 0.00 H new ATOM 0 HD2 PHE A 41 23.193 -21.289 28.177 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.423 -24.232 29.321 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.361 -21.612 26.573 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.471 -23.083 27.143 1.00 0.00 H new ATOM 613 N LEU A 42 25.187 -20.921 32.806 1.00 0.00 N ATOM 614 CA LEU A 42 26.307 -20.918 33.741 1.00 0.00 C ATOM 615 C LEU A 42 25.818 -20.744 35.175 1.00 0.00 C ATOM 616 O LEU A 42 26.036 -21.606 36.027 1.00 0.00 O ATOM 617 CB LEU A 42 27.291 -19.802 33.387 1.00 0.00 C ATOM 618 CG LEU A 42 28.228 -20.082 32.211 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.886 -18.796 31.735 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.281 -21.109 32.602 1.00 0.00 C ATOM 0 H LEU A 42 25.275 -20.252 32.041 1.00 0.00 H new ATOM 0 HA LEU A 42 26.815 -21.879 33.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.721 -18.900 33.165 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.898 -19.588 34.266 1.00 0.00 H new ATOM 0 HG LEU A 42 27.638 -20.490 31.390 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.549 -19.015 30.898 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.118 -18.091 31.415 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.463 -18.359 32.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.939 -21.296 31.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.867 -20.729 33.439 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.792 -22.038 32.894 1.00 0.00 H new ATOM 632 N THR A 43 25.153 -19.623 35.436 1.00 0.00 N ATOM 633 CA THR A 43 24.631 -19.335 36.767 1.00 0.00 C ATOM 634 C THR A 43 23.702 -20.445 37.244 1.00 0.00 C ATOM 635 O THR A 43 23.665 -20.769 38.431 1.00 0.00 O ATOM 636 CB THR A 43 23.871 -17.996 36.795 1.00 0.00 C ATOM 637 OG1 THR A 43 23.408 -17.723 38.122 1.00 0.00 O ATOM 638 CG2 THR A 43 22.689 -18.025 35.836 1.00 0.00 C ATOM 0 H THR A 43 24.963 -18.899 34.743 1.00 0.00 H new ATOM 0 HA THR A 43 25.489 -19.270 37.436 1.00 0.00 H new ATOM 0 HB THR A 43 24.555 -17.208 36.480 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.927 -16.869 38.132 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.167 -17.069 35.873 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.047 -18.204 34.822 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.005 -18.823 36.125 1.00 0.00 H new ATOM 646 N ALA A 44 22.952 -21.024 36.313 1.00 0.00 N ATOM 647 CA ALA A 44 22.024 -22.100 36.639 1.00 0.00 C ATOM 648 C ALA A 44 22.771 -23.353 37.084 1.00 0.00 C ATOM 649 O ALA A 44 22.202 -24.227 37.737 1.00 0.00 O ATOM 650 CB ALA A 44 21.134 -22.410 35.444 1.00 0.00 C ATOM 0 H ALA A 44 22.969 -20.766 35.326 1.00 0.00 H new ATOM 0 HA ALA A 44 21.398 -21.768 37.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.446 -23.215 35.702 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.566 -21.520 35.173 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.752 -22.717 34.600 1.00 0.00 H new ATOM 656 N GLY A 45 24.048 -23.434 36.725 1.00 0.00 N ATOM 657 CA GLY A 45 24.851 -24.585 37.095 1.00 0.00 C ATOM 658 C GLY A 45 25.260 -25.417 35.896 1.00 0.00 C ATOM 659 O GLY A 45 26.178 -26.233 35.982 1.00 0.00 O ATOM 0 H GLY A 45 24.541 -22.723 36.185 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.744 -24.247 37.620 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.289 -25.208 37.791 1.00 0.00 H new ATOM 663 N PHE A 46 24.577 -25.212 34.775 1.00 0.00 N ATOM 664 CA PHE A 46 24.872 -25.952 33.554 1.00 0.00 C ATOM 665 C PHE A 46 26.121 -25.400 32.872 1.00 0.00 C ATOM 666 O PHE A 46 26.039 -24.506 32.029 1.00 0.00 O ATOM 667 CB PHE A 46 23.683 -25.888 32.593 1.00 0.00 C ATOM 668 CG PHE A 46 22.363 -26.163 33.255 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.055 -27.433 33.715 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.430 -25.152 33.417 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.840 -27.689 34.324 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.214 -25.401 34.025 1.00 0.00 C ATOM 673 CZ PHE A 46 19.919 -26.672 34.480 1.00 0.00 C ATOM 0 H PHE A 46 23.815 -24.539 34.687 1.00 0.00 H new ATOM 0 HA PHE A 46 25.056 -26.992 33.825 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.651 -24.901 32.132 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.835 -26.609 31.790 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.772 -28.232 33.597 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.656 -24.157 33.064 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.612 -28.684 34.677 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.496 -24.603 34.144 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.970 -26.870 34.957 1.00 0.00 H new ATOM 683 N THR A 47 27.278 -25.939 33.244 1.00 0.00 N ATOM 684 CA THR A 47 28.544 -25.500 32.671 1.00 0.00 C ATOM 685 C THR A 47 29.012 -26.452 31.577 1.00 0.00 C ATOM 686 O THR A 47 29.763 -26.064 30.682 1.00 0.00 O ATOM 687 CB THR A 47 29.641 -25.395 33.748 1.00 0.00 C ATOM 688 OG1 THR A 47 29.883 -26.682 34.328 1.00 0.00 O ATOM 689 CG2 THR A 47 29.240 -24.410 34.835 1.00 0.00 C ATOM 0 H THR A 47 27.364 -26.680 33.939 1.00 0.00 H new ATOM 0 HA THR A 47 28.371 -24.514 32.241 1.00 0.00 H new ATOM 0 HB THR A 47 30.553 -25.034 33.272 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.583 -26.607 35.010 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.030 -24.353 35.584 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.086 -23.425 34.395 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.316 -24.745 35.307 1.00 0.00 H new ATOM 697 N SER A 48 28.562 -27.701 31.653 1.00 0.00 N ATOM 698 CA SER A 48 28.937 -28.710 30.670 1.00 0.00 C ATOM 699 C SER A 48 27.720 -29.173 29.875 1.00 0.00 C ATOM 700 O SER A 48 26.667 -29.463 30.444 1.00 0.00 O ATOM 701 CB SER A 48 29.595 -29.907 31.361 1.00 0.00 C ATOM 702 OG SER A 48 30.944 -29.626 31.692 1.00 0.00 O ATOM 0 H SER A 48 27.937 -28.038 32.386 1.00 0.00 H new ATOM 0 HA SER A 48 29.651 -28.261 29.980 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.040 -30.159 32.265 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.551 -30.778 30.707 1.00 0.00 H new ATOM 0 HG SER A 48 31.342 -30.405 32.134 1.00 0.00 H new ATOM 708 N LEU A 49 27.873 -29.240 28.557 1.00 0.00 N ATOM 709 CA LEU A 49 26.787 -29.668 27.682 1.00 0.00 C ATOM 710 C LEU A 49 26.222 -31.011 28.132 1.00 0.00 C ATOM 711 O LEU A 49 25.045 -31.303 27.919 1.00 0.00 O ATOM 712 CB LEU A 49 27.279 -29.767 26.237 1.00 0.00 C ATOM 713 CG LEU A 49 27.349 -28.452 25.461 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.980 -27.793 25.400 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.367 -27.513 26.093 1.00 0.00 C ATOM 0 H LEU A 49 28.738 -29.004 28.071 1.00 0.00 H new ATOM 0 HA LEU A 49 25.993 -28.924 27.739 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.272 -30.216 26.242 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.623 -30.450 25.697 1.00 0.00 H new ATOM 0 HG LEU A 49 27.669 -28.671 24.442 1.00 0.00 H new ATOM 0 HD11 LEU A 49 26.051 -26.858 24.844 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.277 -28.460 24.901 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.630 -27.588 26.412 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.403 -26.582 25.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.077 -27.301 27.122 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.351 -27.983 26.083 1.00 0.00 H new ATOM 727 N GLN A 50 27.068 -31.824 28.757 1.00 0.00 N ATOM 728 CA GLN A 50 26.651 -33.136 29.239 1.00 0.00 C ATOM 729 C GLN A 50 25.397 -33.027 30.100 1.00 0.00 C ATOM 730 O GLN A 50 24.586 -33.952 30.153 1.00 0.00 O ATOM 731 CB GLN A 50 27.779 -33.790 30.040 1.00 0.00 C ATOM 732 CG GLN A 50 27.427 -35.171 30.569 1.00 0.00 C ATOM 733 CD GLN A 50 27.525 -35.259 32.079 1.00 0.00 C ATOM 734 OE1 GLN A 50 26.605 -35.735 32.745 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.643 -34.800 32.629 1.00 0.00 N ATOM 0 H GLN A 50 28.045 -31.598 28.941 1.00 0.00 H new ATOM 0 HA GLN A 50 26.422 -33.757 28.373 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.665 -33.866 29.409 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.040 -33.144 30.879 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.414 -35.428 30.259 1.00 0.00 H new ATOM 0 HG3 GLN A 50 28.094 -35.908 30.122 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.380 -34.414 32.039 1.00 0.00 H new ATOM 0 HE22 GLN A 50 28.765 -34.834 33.641 1.00 0.00 H new ATOM 744 N LEU A 51 25.244 -31.891 30.772 1.00 0.00 N ATOM 745 CA LEU A 51 24.088 -31.661 31.632 1.00 0.00 C ATOM 746 C LEU A 51 22.957 -30.994 30.856 1.00 0.00 C ATOM 747 O LEU A 51 21.785 -31.130 31.207 1.00 0.00 O ATOM 748 CB LEU A 51 24.482 -30.793 32.828 1.00 0.00 C ATOM 749 CG LEU A 51 25.515 -31.394 33.781 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.756 -30.465 34.961 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.064 -32.765 34.263 1.00 0.00 C ATOM 0 H LEU A 51 25.905 -31.115 30.738 1.00 0.00 H new ATOM 0 HA LEU A 51 23.736 -32.628 31.993 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.871 -29.847 32.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.581 -30.564 33.398 1.00 0.00 H new ATOM 0 HG LEU A 51 26.454 -31.513 33.240 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.494 -30.909 35.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.125 -29.505 34.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.822 -30.314 35.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.812 -33.177 34.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.113 -32.672 34.787 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.944 -33.430 33.408 1.00 0.00 H new ATOM 763 N VAL A 52 23.316 -30.275 29.797 1.00 0.00 N ATOM 764 CA VAL A 52 22.331 -29.590 28.969 1.00 0.00 C ATOM 765 C VAL A 52 21.593 -30.572 28.066 1.00 0.00 C ATOM 766 O VAL A 52 20.471 -30.311 27.630 1.00 0.00 O ATOM 767 CB VAL A 52 22.989 -28.503 28.098 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.951 -27.823 27.217 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.709 -27.486 28.969 1.00 0.00 C ATOM 0 H VAL A 52 24.282 -30.152 29.493 1.00 0.00 H new ATOM 0 HA VAL A 52 21.619 -29.120 29.648 1.00 0.00 H new ATOM 0 HB VAL A 52 23.725 -28.978 27.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.434 -27.058 26.609 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.485 -28.563 26.566 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.189 -27.360 27.844 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.168 -26.726 28.337 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.995 -27.014 29.644 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.481 -27.988 29.552 1.00 0.00 H new ATOM 779 N THR A 53 22.230 -31.705 27.787 1.00 0.00 N ATOM 780 CA THR A 53 21.636 -32.727 26.935 1.00 0.00 C ATOM 781 C THR A 53 20.452 -33.396 27.624 1.00 0.00 C ATOM 782 O THR A 53 19.581 -33.965 26.966 1.00 0.00 O ATOM 783 CB THR A 53 22.666 -33.805 26.548 1.00 0.00 C ATOM 784 OG1 THR A 53 23.244 -34.376 27.727 1.00 0.00 O ATOM 785 CG2 THR A 53 23.763 -33.216 25.674 1.00 0.00 C ATOM 0 H THR A 53 23.158 -31.938 28.139 1.00 0.00 H new ATOM 0 HA THR A 53 21.291 -32.224 26.032 1.00 0.00 H new ATOM 0 HB THR A 53 22.151 -34.582 25.983 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.897 -35.061 27.472 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.479 -33.996 25.413 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.323 -32.808 24.764 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.274 -32.422 26.218 1.00 0.00 H new ATOM 793 N GLN A 54 20.426 -33.323 28.951 1.00 0.00 N ATOM 794 CA GLN A 54 19.348 -33.923 29.728 1.00 0.00 C ATOM 795 C GLN A 54 18.337 -32.866 30.161 1.00 0.00 C ATOM 796 O GLN A 54 17.583 -33.068 31.113 1.00 0.00 O ATOM 797 CB GLN A 54 19.913 -34.639 30.955 1.00 0.00 C ATOM 798 CG GLN A 54 21.093 -35.544 30.642 1.00 0.00 C ATOM 799 CD GLN A 54 21.539 -36.358 31.841 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.738 -36.683 32.718 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.823 -36.694 31.884 1.00 0.00 N ATOM 0 H GLN A 54 21.139 -32.854 29.510 1.00 0.00 H new ATOM 0 HA GLN A 54 18.838 -34.650 29.096 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.221 -33.895 31.689 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.123 -35.232 31.415 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.823 -36.219 29.830 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.927 -34.938 30.289 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.452 -36.403 31.135 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.181 -37.243 32.666 1.00 0.00 H new ATOM 810 N MET A 55 18.328 -31.739 29.457 1.00 0.00 N ATOM 811 CA MET A 55 17.408 -30.651 29.769 1.00 0.00 C ATOM 812 C MET A 55 16.210 -30.664 28.826 1.00 0.00 C ATOM 813 O MET A 55 16.132 -31.490 27.916 1.00 0.00 O ATOM 814 CB MET A 55 18.128 -29.304 29.679 1.00 0.00 C ATOM 815 CG MET A 55 18.982 -28.989 30.896 1.00 0.00 C ATOM 816 SD MET A 55 19.099 -27.219 31.222 1.00 0.00 S ATOM 817 CE MET A 55 20.738 -26.866 30.591 1.00 0.00 C ATOM 0 H MET A 55 18.947 -31.555 28.667 1.00 0.00 H new ATOM 0 HA MET A 55 17.047 -30.795 30.787 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.760 -29.298 28.791 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.388 -28.514 29.550 1.00 0.00 H new ATOM 0 HG2 MET A 55 18.562 -29.488 31.769 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.983 -29.394 30.748 1.00 0.00 H new ATOM 0 HE1 MET A 55 21.022 -25.849 30.863 1.00 0.00 H new ATOM 0 HE2 MET A 55 21.452 -27.569 31.020 1.00 0.00 H new ATOM 0 HE3 MET A 55 20.739 -26.964 29.505 1.00 0.00 H new ATOM 827 N THR A 56 15.276 -29.744 29.049 1.00 0.00 N ATOM 828 CA THR A 56 14.081 -29.652 28.220 1.00 0.00 C ATOM 829 C THR A 56 13.576 -28.215 28.142 1.00 0.00 C ATOM 830 O THR A 56 14.108 -27.324 28.803 1.00 0.00 O ATOM 831 CB THR A 56 12.953 -30.552 28.758 1.00 0.00 C ATOM 832 OG1 THR A 56 11.885 -30.620 27.807 1.00 0.00 O ATOM 833 CG2 THR A 56 12.425 -30.024 30.084 1.00 0.00 C ATOM 0 H THR A 56 15.325 -29.052 29.797 1.00 0.00 H new ATOM 0 HA THR A 56 14.361 -29.991 27.223 1.00 0.00 H new ATOM 0 HB THR A 56 13.360 -31.550 28.919 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.173 -31.195 28.156 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.629 -30.676 30.444 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.234 -30.001 30.814 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.033 -29.016 29.944 1.00 0.00 H new ATOM 841 N SER A 57 12.546 -27.998 27.331 1.00 0.00 N ATOM 842 CA SER A 57 11.971 -26.669 27.164 1.00 0.00 C ATOM 843 C SER A 57 11.635 -26.049 28.517 1.00 0.00 C ATOM 844 O SER A 57 11.821 -24.851 28.726 1.00 0.00 O ATOM 845 CB SER A 57 10.713 -26.739 26.296 1.00 0.00 C ATOM 846 OG SER A 57 9.892 -25.601 26.495 1.00 0.00 O ATOM 0 H SER A 57 12.092 -28.726 26.779 1.00 0.00 H new ATOM 0 HA SER A 57 12.711 -26.040 26.669 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.996 -26.808 25.246 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.152 -27.642 26.535 1.00 0.00 H new ATOM 0 HG SER A 57 9.096 -25.669 25.928 1.00 0.00 H new ATOM 852 N GLU A 58 11.138 -26.875 29.432 1.00 0.00 N ATOM 853 CA GLU A 58 10.774 -26.408 30.765 1.00 0.00 C ATOM 854 C GLU A 58 11.987 -25.831 31.489 1.00 0.00 C ATOM 855 O GLU A 58 11.864 -24.896 32.281 1.00 0.00 O ATOM 856 CB GLU A 58 10.175 -27.553 31.585 1.00 0.00 C ATOM 857 CG GLU A 58 8.853 -28.065 31.039 1.00 0.00 C ATOM 858 CD GLU A 58 8.096 -28.912 32.044 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.646 -29.941 32.488 1.00 0.00 O ATOM 860 OE2 GLU A 58 6.953 -28.544 32.386 1.00 0.00 O ATOM 0 H GLU A 58 10.978 -27.870 29.275 1.00 0.00 H new ATOM 0 HA GLU A 58 10.029 -25.620 30.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.888 -28.377 31.619 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.029 -27.216 32.611 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.234 -27.218 30.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.039 -28.653 30.140 1.00 0.00 H new ATOM 867 N ASP A 59 13.158 -26.394 31.211 1.00 0.00 N ATOM 868 CA ASP A 59 14.394 -25.935 31.834 1.00 0.00 C ATOM 869 C ASP A 59 14.798 -24.565 31.298 1.00 0.00 C ATOM 870 O ASP A 59 15.436 -23.776 31.996 1.00 0.00 O ATOM 871 CB ASP A 59 15.518 -26.944 31.590 1.00 0.00 C ATOM 872 CG ASP A 59 15.224 -28.298 32.204 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.117 -28.472 32.757 1.00 0.00 O ATOM 874 OD2 ASP A 59 16.099 -29.185 32.130 1.00 0.00 O ATOM 0 H ASP A 59 13.277 -27.169 30.558 1.00 0.00 H new ATOM 0 HA ASP A 59 14.220 -25.848 32.907 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.671 -27.060 30.517 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.448 -26.555 32.004 1.00 0.00 H new ATOM 879 N LEU A 60 14.423 -24.289 30.053 1.00 0.00 N ATOM 880 CA LEU A 60 14.747 -23.015 29.422 1.00 0.00 C ATOM 881 C LEU A 60 13.976 -21.872 30.075 1.00 0.00 C ATOM 882 O LEU A 60 14.514 -20.784 30.282 1.00 0.00 O ATOM 883 CB LEU A 60 14.431 -23.069 27.926 1.00 0.00 C ATOM 884 CG LEU A 60 14.842 -24.351 27.200 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.517 -24.251 25.717 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.324 -24.629 27.406 1.00 0.00 C ATOM 0 H LEU A 60 13.895 -24.930 29.461 1.00 0.00 H new ATOM 0 HA LEU A 60 15.813 -22.833 29.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.358 -22.930 27.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.923 -22.226 27.440 1.00 0.00 H new ATOM 0 HG LEU A 60 14.276 -25.182 27.620 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.816 -25.172 25.216 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.445 -24.100 25.589 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.057 -23.410 25.282 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.599 -25.545 26.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.908 -23.797 27.013 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.528 -24.745 28.470 1.00 0.00 H new ATOM 898 N LEU A 61 12.713 -22.127 30.398 1.00 0.00 N ATOM 899 CA LEU A 61 11.867 -21.120 31.030 1.00 0.00 C ATOM 900 C LEU A 61 12.234 -20.945 32.500 1.00 0.00 C ATOM 901 O LEU A 61 11.905 -19.932 33.116 1.00 0.00 O ATOM 902 CB LEU A 61 10.393 -21.512 30.904 1.00 0.00 C ATOM 903 CG LEU A 61 9.606 -20.813 29.795 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.073 -21.830 28.798 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.467 -19.994 30.385 1.00 0.00 C ATOM 0 H LEU A 61 12.252 -23.022 30.233 1.00 0.00 H new ATOM 0 HA LEU A 61 12.030 -20.171 30.518 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.337 -22.588 30.740 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.901 -21.309 31.855 1.00 0.00 H new ATOM 0 HG LEU A 61 10.279 -20.136 29.268 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.515 -21.315 28.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.906 -22.373 28.352 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.415 -22.532 29.311 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.917 -19.503 29.582 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.794 -20.651 30.936 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.872 -19.240 31.060 1.00 0.00 H new ATOM 917 N ARG A 62 12.921 -21.939 33.056 1.00 0.00 N ATOM 918 CA ARG A 62 13.334 -21.894 34.453 1.00 0.00 C ATOM 919 C ARG A 62 14.516 -20.947 34.640 1.00 0.00 C ATOM 920 O ARG A 62 14.597 -20.230 35.638 1.00 0.00 O ATOM 921 CB ARG A 62 13.707 -23.295 34.942 1.00 0.00 C ATOM 922 CG ARG A 62 12.522 -24.241 35.040 1.00 0.00 C ATOM 923 CD ARG A 62 12.272 -24.674 36.477 1.00 0.00 C ATOM 924 NE ARG A 62 11.392 -23.746 37.182 1.00 0.00 N ATOM 925 CZ ARG A 62 10.081 -23.679 36.978 1.00 0.00 C ATOM 926 NH1 ARG A 62 9.502 -24.480 36.095 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.346 -22.808 37.660 1.00 0.00 N ATOM 0 H ARG A 62 13.203 -22.784 32.560 1.00 0.00 H new ATOM 0 HA ARG A 62 12.496 -21.522 35.042 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.447 -23.722 34.265 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.179 -23.215 35.921 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.631 -23.752 34.646 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.704 -25.119 34.421 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.829 -25.670 36.484 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.223 -24.744 37.005 1.00 0.00 H new ATOM 0 HE ARG A 62 11.806 -23.115 37.868 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.063 -25.150 35.570 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.495 -24.426 35.941 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.788 -22.190 38.341 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.339 -22.757 37.503 1.00 0.00 H new ATOM 941 N ILE A 63 15.429 -20.951 33.675 1.00 0.00 N ATOM 942 CA ILE A 63 16.605 -20.092 33.734 1.00 0.00 C ATOM 943 C ILE A 63 16.277 -18.677 33.270 1.00 0.00 C ATOM 944 O ILE A 63 16.929 -17.714 33.671 1.00 0.00 O ATOM 945 CB ILE A 63 17.753 -20.649 32.871 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.355 -20.650 31.393 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.125 -22.052 33.326 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.468 -21.089 30.468 1.00 0.00 C ATOM 0 H ILE A 63 15.377 -21.539 32.843 1.00 0.00 H new ATOM 0 HA ILE A 63 16.924 -20.066 34.776 1.00 0.00 H new ATOM 0 HB ILE A 63 18.625 -20.006 32.993 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.498 -21.310 31.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.033 -19.647 31.111 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.937 -22.432 32.707 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.445 -22.024 34.367 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.259 -22.707 33.230 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.115 -21.065 29.437 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.318 -20.415 30.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.775 -22.103 30.723 1.00 0.00 H new ATOM 960 N GLY A 64 15.257 -18.559 32.424 1.00 0.00 N ATOM 961 CA GLY A 64 14.858 -17.257 31.922 1.00 0.00 C ATOM 962 C GLY A 64 14.371 -17.315 30.487 1.00 0.00 C ATOM 963 O GLY A 64 13.434 -16.608 30.115 1.00 0.00 O ATOM 0 H GLY A 64 14.701 -19.341 32.078 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.068 -16.853 32.555 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.702 -16.571 31.989 1.00 0.00 H new ATOM 967 N ILE A 65 15.009 -18.156 29.681 1.00 0.00 N ATOM 968 CA ILE A 65 14.635 -18.301 28.279 1.00 0.00 C ATOM 969 C ILE A 65 13.140 -18.562 28.133 1.00 0.00 C ATOM 970 O ILE A 65 12.666 -19.674 28.369 1.00 0.00 O ATOM 971 CB ILE A 65 15.413 -19.447 27.605 1.00 0.00 C ATOM 972 CG1 ILE A 65 16.920 -19.195 27.701 1.00 0.00 C ATOM 973 CG2 ILE A 65 14.987 -19.594 26.152 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.756 -20.424 27.421 1.00 0.00 C ATOM 0 H ILE A 65 15.787 -18.747 29.974 1.00 0.00 H new ATOM 0 HA ILE A 65 14.887 -17.362 27.786 1.00 0.00 H new ATOM 0 HB ILE A 65 15.185 -20.377 28.126 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.195 -18.410 26.996 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.156 -18.825 28.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.546 -20.408 25.690 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.920 -19.814 26.106 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.189 -18.666 25.618 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.813 -20.172 27.507 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.509 -21.204 28.141 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.549 -20.783 26.413 1.00 0.00 H new ATOM 986 N THR A 66 12.400 -17.530 27.741 1.00 0.00 N ATOM 987 CA THR A 66 10.958 -17.647 27.562 1.00 0.00 C ATOM 988 C THR A 66 10.542 -17.220 26.160 1.00 0.00 C ATOM 989 O THR A 66 9.416 -16.767 25.946 1.00 0.00 O ATOM 990 CB THR A 66 10.194 -16.796 28.594 1.00 0.00 C ATOM 991 OG1 THR A 66 10.571 -15.420 28.470 1.00 0.00 O ATOM 992 CG2 THR A 66 10.475 -17.279 30.009 1.00 0.00 C ATOM 0 H THR A 66 12.776 -16.603 27.541 1.00 0.00 H new ATOM 0 HA THR A 66 10.705 -18.697 27.709 1.00 0.00 H new ATOM 0 HB THR A 66 9.127 -16.899 28.398 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.080 -14.886 29.128 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.925 -16.663 30.720 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.159 -18.318 30.108 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.543 -17.203 30.214 1.00 0.00 H new ATOM 1000 N LEU A 67 11.454 -17.368 25.206 1.00 0.00 N ATOM 1001 CA LEU A 67 11.181 -16.998 23.821 1.00 0.00 C ATOM 1002 C LEU A 67 10.889 -18.233 22.975 1.00 0.00 C ATOM 1003 O LEU A 67 11.795 -18.992 22.633 1.00 0.00 O ATOM 1004 CB LEU A 67 12.367 -16.232 23.233 1.00 0.00 C ATOM 1005 CG LEU A 67 12.283 -14.707 23.303 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.465 -14.141 24.073 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.221 -14.112 21.904 1.00 0.00 C ATOM 0 H LEU A 67 12.390 -17.742 25.366 1.00 0.00 H new ATOM 0 HA LEU A 67 10.300 -16.356 23.810 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.272 -16.550 23.751 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.479 -16.522 22.188 1.00 0.00 H new ATOM 0 HG LEU A 67 11.369 -14.437 23.832 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.387 -13.054 24.112 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.464 -14.541 25.087 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.392 -14.421 23.573 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.162 -13.026 21.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.117 -14.392 21.350 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.340 -14.491 21.386 1.00 0.00 H new ATOM 1019 N ALA A 68 9.617 -18.427 22.640 1.00 0.00 N ATOM 1020 CA ALA A 68 9.206 -19.567 21.830 1.00 0.00 C ATOM 1021 C ALA A 68 10.003 -19.634 20.532 1.00 0.00 C ATOM 1022 O ALA A 68 10.306 -20.717 20.033 1.00 0.00 O ATOM 1023 CB ALA A 68 7.716 -19.494 21.534 1.00 0.00 C ATOM 0 H ALA A 68 8.854 -17.809 22.917 1.00 0.00 H new ATOM 0 HA ALA A 68 9.408 -20.476 22.397 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.423 -20.352 20.928 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.158 -19.503 22.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.498 -18.575 20.991 1.00 0.00 H new ATOM 1029 N GLY A 69 10.339 -18.468 19.988 1.00 0.00 N ATOM 1030 CA GLY A 69 11.096 -18.417 18.751 1.00 0.00 C ATOM 1031 C GLY A 69 12.558 -18.763 18.952 1.00 0.00 C ATOM 1032 O GLY A 69 13.256 -19.116 18.000 1.00 0.00 O ATOM 0 H GLY A 69 10.100 -17.558 20.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.658 -19.109 18.032 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.018 -17.418 18.322 1.00 0.00 H new ATOM 1036 N HIS A 70 13.024 -18.661 20.192 1.00 0.00 N ATOM 1037 CA HIS A 70 14.413 -18.966 20.515 1.00 0.00 C ATOM 1038 C HIS A 70 14.565 -20.421 20.946 1.00 0.00 C ATOM 1039 O HIS A 70 15.447 -21.132 20.465 1.00 0.00 O ATOM 1040 CB HIS A 70 14.918 -18.038 21.621 1.00 0.00 C ATOM 1041 CG HIS A 70 15.295 -16.673 21.133 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.642 -15.641 21.978 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.380 -16.174 19.877 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.923 -14.566 21.264 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.772 -14.863 19.986 1.00 0.00 N ATOM 0 H HIS A 70 12.460 -18.369 20.990 1.00 0.00 H new ATOM 0 HA HIS A 70 15.011 -18.808 19.618 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.145 -17.941 22.384 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.784 -18.495 22.100 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.177 -16.708 18.960 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.225 -13.607 21.658 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.922 -14.222 19.207 1.00 0.00 H new ATOM 1053 N GLN A 71 13.700 -20.856 21.857 1.00 0.00 N ATOM 1054 CA GLN A 71 13.739 -22.226 22.354 1.00 0.00 C ATOM 1055 C GLN A 71 13.737 -23.224 21.201 1.00 0.00 C ATOM 1056 O GLN A 71 14.357 -24.285 21.282 1.00 0.00 O ATOM 1057 CB GLN A 71 12.547 -22.491 23.275 1.00 0.00 C ATOM 1058 CG GLN A 71 12.486 -21.560 24.475 1.00 0.00 C ATOM 1059 CD GLN A 71 11.085 -21.421 25.036 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.120 -21.922 24.458 1.00 0.00 O ATOM 1061 NE2 GLN A 71 10.965 -20.739 26.169 1.00 0.00 N ATOM 0 H GLN A 71 12.964 -20.280 22.265 1.00 0.00 H new ATOM 0 HA GLN A 71 14.662 -22.354 22.920 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.626 -22.391 22.701 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.593 -23.522 23.627 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.150 -21.934 25.254 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.857 -20.577 24.186 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.792 -20.341 26.614 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.046 -20.614 26.594 1.00 0.00 H new ATOM 1070 N LYS A 72 13.036 -22.878 20.126 1.00 0.00 N ATOM 1071 CA LYS A 72 12.953 -23.742 18.955 1.00 0.00 C ATOM 1072 C LYS A 72 14.344 -24.143 18.475 1.00 0.00 C ATOM 1073 O LYS A 72 14.544 -25.248 17.970 1.00 0.00 O ATOM 1074 CB LYS A 72 12.197 -23.036 17.827 1.00 0.00 C ATOM 1075 CG LYS A 72 11.065 -23.862 17.243 1.00 0.00 C ATOM 1076 CD LYS A 72 9.999 -22.981 16.614 1.00 0.00 C ATOM 1077 CE LYS A 72 8.976 -22.523 17.642 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.591 -22.550 17.096 1.00 0.00 N ATOM 0 H LYS A 72 12.517 -22.004 20.042 1.00 0.00 H new ATOM 0 HA LYS A 72 12.411 -24.644 19.238 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.793 -22.097 18.204 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.899 -22.784 17.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.462 -24.546 16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.617 -24.473 18.027 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.469 -22.111 16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.496 -23.529 15.818 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.032 -23.165 18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.218 -21.512 17.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.923 -22.231 17.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.530 -21.918 16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.351 -23.520 16.807 1.00 0.00 H new ATOM 1092 N LYS A 73 15.305 -23.240 18.639 1.00 0.00 N ATOM 1093 CA LYS A 73 16.679 -23.500 18.226 1.00 0.00 C ATOM 1094 C LYS A 73 17.416 -24.325 19.275 1.00 0.00 C ATOM 1095 O LYS A 73 17.998 -25.365 18.964 1.00 0.00 O ATOM 1096 CB LYS A 73 17.419 -22.182 17.986 1.00 0.00 C ATOM 1097 CG LYS A 73 18.781 -22.359 17.337 1.00 0.00 C ATOM 1098 CD LYS A 73 19.145 -21.165 16.470 1.00 0.00 C ATOM 1099 CE LYS A 73 20.193 -21.530 15.430 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.582 -22.142 14.218 1.00 0.00 N ATOM 0 H LYS A 73 15.157 -22.321 19.055 1.00 0.00 H new ATOM 0 HA LYS A 73 16.651 -24.069 17.297 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.805 -21.540 17.354 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.544 -21.666 18.938 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.538 -22.493 18.109 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.781 -23.264 16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.251 -20.790 15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.521 -20.358 17.099 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.748 -20.636 15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.910 -22.226 15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.329 -22.376 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.073 -23.009 14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.916 -21.469 13.787 1.00 0.00 H new ATOM 1114 N ILE A 74 17.385 -23.856 20.518 1.00 0.00 N ATOM 1115 CA ILE A 74 18.049 -24.553 21.613 1.00 0.00 C ATOM 1116 C ILE A 74 17.579 -26.001 21.709 1.00 0.00 C ATOM 1117 O ILE A 74 18.378 -26.932 21.609 1.00 0.00 O ATOM 1118 CB ILE A 74 17.795 -23.853 22.962 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.292 -22.407 22.911 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.476 -24.614 24.090 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.689 -21.523 23.981 1.00 0.00 C ATOM 0 H ILE A 74 16.908 -22.997 20.792 1.00 0.00 H new ATOM 0 HA ILE A 74 19.117 -24.534 21.397 1.00 0.00 H new ATOM 0 HB ILE A 74 16.722 -23.842 23.154 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.377 -22.400 23.014 1.00 0.00 H new ATOM 0 HG13 ILE A 74 18.063 -21.987 21.932 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.287 -24.107 25.036 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.079 -25.628 24.136 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.550 -24.652 23.907 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.086 -20.513 23.885 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.605 -21.499 23.865 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.940 -21.919 24.965 1.00 0.00 H new ATOM 1133 N LEU A 75 16.277 -26.183 21.901 1.00 0.00 N ATOM 1134 CA LEU A 75 15.698 -27.518 22.008 1.00 0.00 C ATOM 1135 C LEU A 75 16.095 -28.380 20.814 1.00 0.00 C ATOM 1136 O LEU A 75 16.437 -29.552 20.968 1.00 0.00 O ATOM 1137 CB LEU A 75 14.174 -27.428 22.104 1.00 0.00 C ATOM 1138 CG LEU A 75 13.622 -26.619 23.278 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.182 -26.207 23.011 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.720 -27.418 24.569 1.00 0.00 C ATOM 0 H LEU A 75 15.602 -25.423 21.986 1.00 0.00 H new ATOM 0 HA LEU A 75 16.085 -27.985 22.914 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.797 -26.992 21.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.773 -28.440 22.166 1.00 0.00 H new ATOM 0 HG LEU A 75 14.223 -25.716 23.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.805 -25.632 23.857 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.140 -25.596 22.109 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.568 -27.097 22.875 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.323 -26.827 25.394 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.144 -28.338 24.472 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.764 -27.662 24.767 1.00 0.00 H new ATOM 1152 N ASN A 76 16.048 -27.791 19.623 1.00 0.00 N ATOM 1153 CA ASN A 76 16.403 -28.505 18.403 1.00 0.00 C ATOM 1154 C ASN A 76 17.839 -29.016 18.470 1.00 0.00 C ATOM 1155 O ASN A 76 18.190 -30.001 17.821 1.00 0.00 O ATOM 1156 CB ASN A 76 16.231 -27.594 17.185 1.00 0.00 C ATOM 1157 CG ASN A 76 14.860 -27.729 16.552 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.006 -28.466 17.045 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.643 -27.016 15.453 1.00 0.00 N ATOM 0 H ASN A 76 15.767 -26.821 19.478 1.00 0.00 H new ATOM 0 HA ASN A 76 15.735 -29.361 18.306 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.390 -26.558 17.484 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.995 -27.833 16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.739 -27.066 14.983 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.380 -26.418 15.079 1.00 0.00 H new ATOM 1166 N SER A 77 18.666 -28.339 19.261 1.00 0.00 N ATOM 1167 CA SER A 77 20.065 -28.722 19.411 1.00 0.00 C ATOM 1168 C SER A 77 20.234 -29.727 20.546 1.00 0.00 C ATOM 1169 O SER A 77 20.992 -30.690 20.428 1.00 0.00 O ATOM 1170 CB SER A 77 20.928 -27.487 19.676 1.00 0.00 C ATOM 1171 OG SER A 77 22.172 -27.579 19.002 1.00 0.00 O ATOM 0 H SER A 77 18.391 -27.523 19.808 1.00 0.00 H new ATOM 0 HA SER A 77 20.389 -29.191 18.482 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.399 -26.592 19.348 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.098 -27.382 20.747 1.00 0.00 H new ATOM 0 HG SER A 77 22.402 -26.707 18.619 1.00 0.00 H new ATOM 1177 N ILE A 78 19.523 -29.495 21.644 1.00 0.00 N ATOM 1178 CA ILE A 78 19.593 -30.381 22.800 1.00 0.00 C ATOM 1179 C ILE A 78 19.024 -31.757 22.473 1.00 0.00 C ATOM 1180 O ILE A 78 19.559 -32.780 22.903 1.00 0.00 O ATOM 1181 CB ILE A 78 18.831 -29.796 24.004 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.405 -28.429 24.383 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.897 -30.750 25.187 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.702 -27.782 25.555 1.00 0.00 C ATOM 0 H ILE A 78 18.892 -28.702 21.758 1.00 0.00 H new ATOM 0 HA ILE A 78 20.647 -30.479 23.060 1.00 0.00 H new ATOM 0 HB ILE A 78 17.785 -29.666 23.725 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.463 -28.542 24.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.342 -27.766 23.520 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.354 -30.322 26.030 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.447 -31.703 24.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.938 -30.909 25.469 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.162 -26.817 25.767 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.649 -27.637 25.313 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.788 -28.425 26.431 1.00 0.00 H new ATOM 1196 N HIS A 79 17.937 -31.776 21.708 1.00 0.00 N ATOM 1197 CA HIS A 79 17.297 -33.028 21.321 1.00 0.00 C ATOM 1198 C HIS A 79 18.218 -33.857 20.431 1.00 0.00 C ATOM 1199 O HIS A 79 18.189 -35.087 20.466 1.00 0.00 O ATOM 1200 CB HIS A 79 15.981 -32.749 20.594 1.00 0.00 C ATOM 1201 CG HIS A 79 14.908 -33.751 20.891 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.563 -33.471 20.774 1.00 0.00 N ATOM 1203 CD2 HIS A 79 14.988 -35.039 21.300 1.00 0.00 C ATOM 1204 CE1 HIS A 79 12.862 -34.542 21.100 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.704 -35.508 21.423 1.00 0.00 N ATOM 0 H HIS A 79 17.481 -30.939 21.344 1.00 0.00 H new ATOM 0 HA HIS A 79 17.089 -33.596 22.228 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.626 -31.756 20.871 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.165 -32.734 19.520 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.894 -35.594 21.494 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.785 -34.616 21.102 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.442 -36.449 21.716 1.00 0.00 H new ATOM 1213 N SER A 80 19.033 -33.175 19.633 1.00 0.00 N ATOM 1214 CA SER A 80 19.959 -33.848 18.730 1.00 0.00 C ATOM 1215 C SER A 80 21.273 -34.165 19.437 1.00 0.00 C ATOM 1216 O SER A 80 21.977 -35.105 19.069 1.00 0.00 O ATOM 1217 CB SER A 80 20.225 -32.980 17.498 1.00 0.00 C ATOM 1218 OG SER A 80 20.927 -33.707 16.505 1.00 0.00 O ATOM 0 H SER A 80 19.071 -32.156 19.593 1.00 0.00 H new ATOM 0 HA SER A 80 19.502 -34.785 18.413 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.280 -32.621 17.091 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.802 -32.101 17.786 1.00 0.00 H new ATOM 0 HG SER A 80 21.084 -33.131 15.727 1.00 0.00 H new ATOM 1224 N MET A 81 21.597 -33.372 20.454 1.00 0.00 N ATOM 1225 CA MET A 81 22.826 -33.568 21.213 1.00 0.00 C ATOM 1226 C MET A 81 22.744 -34.832 22.064 1.00 0.00 C ATOM 1227 O MET A 81 23.700 -35.604 22.138 1.00 0.00 O ATOM 1228 CB MET A 81 23.097 -32.356 22.106 1.00 0.00 C ATOM 1229 CG MET A 81 24.320 -31.555 21.689 1.00 0.00 C ATOM 1230 SD MET A 81 25.098 -30.702 23.073 1.00 0.00 S ATOM 1231 CE MET A 81 23.942 -29.359 23.335 1.00 0.00 C ATOM 0 H MET A 81 21.026 -32.589 20.771 1.00 0.00 H new ATOM 0 HA MET A 81 23.647 -33.680 20.505 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.224 -31.703 22.094 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.228 -32.694 23.134 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.046 -32.223 21.225 1.00 0.00 H new ATOM 0 HG3 MET A 81 24.031 -30.824 20.934 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.467 -28.407 23.258 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.157 -29.402 22.580 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.498 -29.449 24.326 1.00 0.00 H new ATOM 1241 N ARG A 82 21.597 -35.036 22.703 1.00 0.00 N ATOM 1242 CA ARG A 82 21.391 -36.206 23.549 1.00 0.00 C ATOM 1243 C ARG A 82 21.397 -37.486 22.718 1.00 0.00 C ATOM 1244 O ARG A 82 21.982 -38.494 23.114 1.00 0.00 O ATOM 1245 CB ARG A 82 20.070 -36.086 24.310 1.00 0.00 C ATOM 1246 CG ARG A 82 18.861 -35.901 23.407 1.00 0.00 C ATOM 1247 CD ARG A 82 17.715 -35.224 24.142 1.00 0.00 C ATOM 1248 NE ARG A 82 17.300 -35.979 25.322 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.603 -37.108 25.264 1.00 0.00 C ATOM 1250 NH1 ARG A 82 16.246 -37.611 24.090 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.262 -37.737 26.381 1.00 0.00 N ATOM 0 H ARG A 82 20.796 -34.407 22.651 1.00 0.00 H new ATOM 0 HA ARG A 82 22.212 -36.254 24.265 1.00 0.00 H new ATOM 0 HB2 ARG A 82 19.927 -36.981 24.916 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.132 -35.242 24.997 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.142 -35.304 22.539 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.533 -36.871 23.034 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.019 -34.221 24.442 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.867 -35.112 23.467 1.00 0.00 H new ATOM 0 HE ARG A 82 17.560 -35.619 26.240 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.507 -37.131 23.229 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.711 -38.478 24.048 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.535 -37.354 27.286 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.727 -38.604 26.335 1.00 0.00 H new