USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 567 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 37 TYR OH : rot -142:sc= 0.943 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 162:sc= 0.729 (180deg=-0.489) USER MOD Set 2.1: A 73 THR OG1 : rot 38:sc= 0.797 USER MOD Set 2.2: A 84 THR OG1 : rot 63:sc= 0.952 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.12) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 164:sc= 0 (180deg=-0.185) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0528 (180deg=-0.331) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.0312 (180deg=-0.162) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 42 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 44 SER OG : rot 33:sc= 0.462 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 138:sc= -2.27! (180deg=-5.11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.779 (180deg=0.748) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.155 (180deg=-0.707) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -0.0294 (180deg=-0.977) USER MOD Single : A 74 SER OG : rot 7:sc= 0.798 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 77 THR OG1 : rot -140:sc= -0.121 USER MOD Single : A 79 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.031) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.017) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 2.45 (180deg=2.35) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.829 -6.436 2.410 1.00 0.00 N ATOM 329 CA ALA A 22 4.564 -5.219 2.097 1.00 0.00 C ATOM 330 C ALA A 22 4.408 -4.182 3.207 1.00 0.00 C ATOM 331 O ALA A 22 3.295 -3.749 3.519 1.00 0.00 O ATOM 332 CB ALA A 22 4.094 -4.657 0.762 1.00 0.00 C ATOM 0 HA ALA A 22 5.623 -5.464 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.649 -3.747 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.267 -5.393 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.030 -4.429 0.818 1.00 0.00 H new ATOM 338 N GLU A 23 5.526 -3.809 3.815 1.00 0.00 N ATOM 339 CA GLU A 23 5.527 -2.839 4.896 1.00 0.00 C ATOM 340 C GLU A 23 6.548 -1.736 4.616 1.00 0.00 C ATOM 341 O GLU A 23 7.529 -1.954 3.901 1.00 0.00 O ATOM 342 CB GLU A 23 5.840 -3.550 6.220 1.00 0.00 C ATOM 343 CG GLU A 23 5.676 -2.676 7.451 1.00 0.00 C ATOM 344 CD GLU A 23 5.927 -3.435 8.735 1.00 0.00 C ATOM 345 OE1 GLU A 23 5.015 -4.151 9.199 1.00 0.00 O ATOM 346 OE2 GLU A 23 7.045 -3.330 9.288 1.00 0.00 O ATOM 0 H GLU A 23 6.450 -4.168 3.574 1.00 0.00 H new ATOM 0 HA GLU A 23 4.543 -2.376 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.188 -4.419 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.864 -3.922 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.365 -1.834 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.668 -2.262 7.468 1.00 0.00 H new ATOM 353 N ILE A 24 6.300 -0.549 5.152 1.00 0.00 N ATOM 354 CA ILE A 24 7.221 0.568 4.998 1.00 0.00 C ATOM 355 C ILE A 24 8.311 0.498 6.064 1.00 0.00 C ATOM 356 O ILE A 24 8.019 0.362 7.253 1.00 0.00 O ATOM 357 CB ILE A 24 6.489 1.925 5.124 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.443 2.098 4.016 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.484 3.080 5.097 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.038 2.320 2.643 1.00 0.00 C ATOM 0 H ILE A 24 5.466 -0.335 5.699 1.00 0.00 H new ATOM 0 HA ILE A 24 7.661 0.496 4.003 1.00 0.00 H new ATOM 0 HB ILE A 24 5.971 1.933 6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.808 1.213 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.801 2.943 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.948 4.025 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.182 2.979 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.035 3.064 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.236 2.433 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.650 3.222 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.657 1.465 2.372 1.00 0.00 H new ATOM 372 N MET A 25 9.563 0.598 5.642 1.00 0.00 N ATOM 373 CA MET A 25 10.678 0.570 6.575 1.00 0.00 C ATOM 374 C MET A 25 11.340 1.933 6.696 1.00 0.00 C ATOM 375 O MET A 25 11.301 2.745 5.770 1.00 0.00 O ATOM 376 CB MET A 25 11.719 -0.467 6.154 1.00 0.00 C ATOM 377 CG MET A 25 11.391 -1.881 6.600 1.00 0.00 C ATOM 378 SD MET A 25 11.313 -2.035 8.395 1.00 0.00 S ATOM 379 CE MET A 25 11.068 -3.803 8.569 1.00 0.00 C ATOM 0 H MET A 25 9.831 0.699 4.663 1.00 0.00 H new ATOM 0 HA MET A 25 10.272 0.294 7.548 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.815 -0.452 5.068 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.688 -0.182 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.436 -2.182 6.170 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.145 -2.566 6.212 1.00 0.00 H new ATOM 0 HE1 MET A 25 11.281 -4.101 9.596 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.035 -4.053 8.326 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.739 -4.332 7.892 1.00 0.00 H new ATOM 389 N LYS A 26 11.931 2.181 7.856 1.00 0.00 N ATOM 390 CA LYS A 26 12.733 3.368 8.070 1.00 0.00 C ATOM 391 C LYS A 26 14.056 3.237 7.322 1.00 0.00 C ATOM 392 O LYS A 26 14.389 2.160 6.838 1.00 0.00 O ATOM 393 CB LYS A 26 12.983 3.544 9.563 1.00 0.00 C ATOM 394 CG LYS A 26 11.720 3.745 10.394 1.00 0.00 C ATOM 395 CD LYS A 26 11.230 5.187 10.362 1.00 0.00 C ATOM 396 CE LYS A 26 10.327 5.470 9.171 1.00 0.00 C ATOM 397 NZ LYS A 26 9.029 4.750 9.271 1.00 0.00 N ATOM 0 H LYS A 26 11.866 1.567 8.668 1.00 0.00 H new ATOM 0 HA LYS A 26 12.204 4.243 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.513 2.668 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.640 4.401 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.934 3.088 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.916 3.453 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.689 5.404 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.088 5.858 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.142 6.542 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.835 5.175 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.329 5.209 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.157 3.761 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.693 4.776 10.255 1.00 0.00 H new ATOM 411 N LYS A 27 14.817 4.317 7.252 1.00 0.00 N ATOM 412 CA LYS A 27 16.056 4.322 6.487 1.00 0.00 C ATOM 413 C LYS A 27 17.097 3.407 7.127 1.00 0.00 C ATOM 414 O LYS A 27 17.797 2.670 6.429 1.00 0.00 O ATOM 415 CB LYS A 27 16.591 5.752 6.360 1.00 0.00 C ATOM 416 CG LYS A 27 17.922 5.854 5.633 1.00 0.00 C ATOM 417 CD LYS A 27 18.273 7.299 5.322 1.00 0.00 C ATOM 418 CE LYS A 27 17.361 7.869 4.246 1.00 0.00 C ATOM 419 NZ LYS A 27 17.622 9.311 3.998 1.00 0.00 N ATOM 0 H LYS A 27 14.600 5.200 7.714 1.00 0.00 H new ATOM 0 HA LYS A 27 15.847 3.939 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.854 6.359 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.700 6.178 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.708 5.410 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.878 5.281 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.189 7.899 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.310 7.361 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.501 7.311 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.321 7.735 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.979 9.658 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.464 9.848 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.607 9.437 3.688 1.00 0.00 H new ATOM 433 N THR A 28 17.186 3.444 8.452 1.00 0.00 N ATOM 434 CA THR A 28 18.126 2.605 9.171 1.00 0.00 C ATOM 435 C THR A 28 17.706 1.137 9.122 1.00 0.00 C ATOM 436 O THR A 28 18.523 0.252 8.863 1.00 0.00 O ATOM 437 CB THR A 28 18.258 3.069 10.630 1.00 0.00 C ATOM 438 OG1 THR A 28 16.960 3.284 11.200 1.00 0.00 O ATOM 439 CG2 THR A 28 19.078 4.347 10.719 1.00 0.00 C ATOM 0 H THR A 28 16.617 4.047 9.046 1.00 0.00 H new ATOM 0 HA THR A 28 19.096 2.698 8.682 1.00 0.00 H new ATOM 0 HB THR A 28 18.771 2.288 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.056 3.578 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.158 4.656 11.761 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.075 4.168 10.316 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.590 5.133 10.144 1.00 0.00 H new ATOM 447 N ASP A 29 16.422 0.889 9.358 1.00 0.00 N ATOM 448 CA ASP A 29 15.872 -0.463 9.292 1.00 0.00 C ATOM 449 C ASP A 29 16.004 -1.029 7.888 1.00 0.00 C ATOM 450 O ASP A 29 16.381 -2.183 7.716 1.00 0.00 O ATOM 451 CB ASP A 29 14.395 -0.474 9.714 1.00 0.00 C ATOM 452 CG ASP A 29 14.187 -0.319 11.211 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.138 -1.349 11.917 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.043 0.832 11.688 1.00 0.00 O ATOM 0 H ASP A 29 15.740 1.608 9.598 1.00 0.00 H new ATOM 0 HA ASP A 29 16.441 -1.086 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.873 0.332 9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.940 -1.409 9.388 1.00 0.00 H new ATOM 459 N PHE A 30 15.710 -0.209 6.885 1.00 0.00 N ATOM 460 CA PHE A 30 15.801 -0.640 5.499 1.00 0.00 C ATOM 461 C PHE A 30 17.226 -1.049 5.157 1.00 0.00 C ATOM 462 O PHE A 30 17.441 -2.059 4.501 1.00 0.00 O ATOM 463 CB PHE A 30 15.325 0.459 4.546 1.00 0.00 C ATOM 464 CG PHE A 30 15.440 0.076 3.100 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.619 -0.904 2.562 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.377 0.684 2.281 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.730 -1.267 1.236 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.493 0.324 0.954 1.00 0.00 C ATOM 469 CZ PHE A 30 15.668 -0.651 0.431 1.00 0.00 C ATOM 0 H PHE A 30 15.407 0.757 7.008 1.00 0.00 H new ATOM 0 HA PHE A 30 15.148 -1.504 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.286 0.701 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.908 1.363 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.885 -1.388 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.024 1.448 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.085 -2.031 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.228 0.804 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.756 -0.932 -0.608 1.00 0.00 H new ATOM 479 N ASP A 31 18.197 -0.273 5.621 1.00 0.00 N ATOM 480 CA ASP A 31 19.605 -0.560 5.350 1.00 0.00 C ATOM 481 C ASP A 31 20.034 -1.866 6.005 1.00 0.00 C ATOM 482 O ASP A 31 20.890 -2.588 5.488 1.00 0.00 O ATOM 483 CB ASP A 31 20.473 0.601 5.850 1.00 0.00 C ATOM 484 CG ASP A 31 21.963 0.358 5.689 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.491 0.590 4.579 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.618 -0.024 6.679 1.00 0.00 O ATOM 0 H ASP A 31 18.038 0.561 6.187 1.00 0.00 H new ATOM 0 HA ASP A 31 19.737 -0.669 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.200 1.507 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.254 0.780 6.903 1.00 0.00 H new ATOM 491 N LYS A 32 19.414 -2.169 7.126 1.00 0.00 N ATOM 492 CA LYS A 32 19.707 -3.383 7.867 1.00 0.00 C ATOM 493 C LYS A 32 18.989 -4.582 7.262 1.00 0.00 C ATOM 494 O LYS A 32 19.553 -5.673 7.187 1.00 0.00 O ATOM 495 CB LYS A 32 19.310 -3.205 9.336 1.00 0.00 C ATOM 496 CG LYS A 32 20.487 -2.949 10.263 1.00 0.00 C ATOM 497 CD LYS A 32 21.150 -1.614 9.969 1.00 0.00 C ATOM 498 CE LYS A 32 22.417 -1.428 10.785 1.00 0.00 C ATOM 499 NZ LYS A 32 22.168 -1.556 12.245 1.00 0.00 N ATOM 0 H LYS A 32 18.694 -1.584 7.550 1.00 0.00 H new ATOM 0 HA LYS A 32 20.779 -3.573 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.610 -2.374 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.783 -4.098 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.146 -2.967 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.218 -3.751 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.388 -1.551 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.453 -0.805 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.157 -2.167 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.842 -0.446 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.026 -1.289 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.386 -0.928 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.918 -2.540 12.469 1.00 0.00 H new ATOM 513 N VAL A 33 17.757 -4.382 6.822 1.00 0.00 N ATOM 514 CA VAL A 33 16.993 -5.478 6.244 1.00 0.00 C ATOM 515 C VAL A 33 17.369 -5.712 4.786 1.00 0.00 C ATOM 516 O VAL A 33 17.231 -6.823 4.290 1.00 0.00 O ATOM 517 CB VAL A 33 15.464 -5.276 6.357 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.046 -5.166 7.812 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.003 -4.058 5.569 1.00 0.00 C ATOM 0 H VAL A 33 17.270 -3.486 6.852 1.00 0.00 H new ATOM 0 HA VAL A 33 17.255 -6.358 6.831 1.00 0.00 H new ATOM 0 HB VAL A 33 14.980 -6.151 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.967 -5.024 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.321 -6.079 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.549 -4.315 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.924 -3.946 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.498 -3.167 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.257 -4.188 4.517 1.00 0.00 H new ATOM 529 N ALA A 34 17.876 -4.676 4.107 1.00 0.00 N ATOM 530 CA ALA A 34 18.244 -4.791 2.693 1.00 0.00 C ATOM 531 C ALA A 34 19.271 -5.894 2.484 1.00 0.00 C ATOM 532 O ALA A 34 19.361 -6.483 1.404 1.00 0.00 O ATOM 533 CB ALA A 34 18.782 -3.467 2.169 1.00 0.00 C ATOM 0 H ALA A 34 18.040 -3.754 4.512 1.00 0.00 H new ATOM 0 HA ALA A 34 17.345 -5.049 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.049 -3.573 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.018 -2.697 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.665 -3.181 2.741 1.00 0.00 H new ATOM 539 N SER A 35 20.029 -6.170 3.530 1.00 0.00 N ATOM 540 CA SER A 35 21.032 -7.215 3.504 1.00 0.00 C ATOM 541 C SER A 35 20.386 -8.586 3.244 1.00 0.00 C ATOM 542 O SER A 35 20.897 -9.385 2.457 1.00 0.00 O ATOM 543 CB SER A 35 21.808 -7.194 4.828 1.00 0.00 C ATOM 544 OG SER A 35 22.787 -8.215 4.877 1.00 0.00 O ATOM 0 H SER A 35 19.965 -5.676 4.420 1.00 0.00 H new ATOM 0 HA SER A 35 21.730 -7.035 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.288 -6.223 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.113 -7.316 5.659 1.00 0.00 H new ATOM 0 HG SER A 35 23.263 -8.171 5.733 1.00 0.00 H new ATOM 550 N GLU A 36 19.240 -8.836 3.875 1.00 0.00 N ATOM 551 CA GLU A 36 18.527 -10.099 3.709 1.00 0.00 C ATOM 552 C GLU A 36 17.409 -9.975 2.676 1.00 0.00 C ATOM 553 O GLU A 36 16.450 -10.741 2.713 1.00 0.00 O ATOM 554 CB GLU A 36 17.898 -10.521 5.034 1.00 0.00 C ATOM 555 CG GLU A 36 18.794 -10.335 6.237 1.00 0.00 C ATOM 556 CD GLU A 36 18.146 -10.846 7.506 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.304 -12.046 7.825 1.00 0.00 O ATOM 558 OE2 GLU A 36 17.457 -10.059 8.184 1.00 0.00 O ATOM 0 H GLU A 36 18.785 -8.178 4.508 1.00 0.00 H new ATOM 0 HA GLU A 36 19.252 -10.840 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.982 -9.949 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.611 -11.571 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.736 -10.859 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.034 -9.278 6.352 1.00 0.00 H new ATOM 565 N TYR A 37 17.526 -9.030 1.752 1.00 0.00 N ATOM 566 CA TYR A 37 16.425 -8.736 0.831 1.00 0.00 C ATOM 567 C TYR A 37 16.852 -8.828 -0.625 1.00 0.00 C ATOM 568 O TYR A 37 18.030 -8.977 -0.929 1.00 0.00 O ATOM 569 CB TYR A 37 15.829 -7.352 1.111 1.00 0.00 C ATOM 570 CG TYR A 37 14.805 -7.338 2.225 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.915 -8.190 3.312 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.722 -6.477 2.182 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.989 -8.181 4.328 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.787 -6.462 3.198 1.00 0.00 C ATOM 575 CZ TYR A 37 12.928 -7.319 4.267 1.00 0.00 C ATOM 576 OH TYR A 37 12.008 -7.313 5.285 1.00 0.00 O ATOM 0 H TYR A 37 18.360 -8.458 1.617 1.00 0.00 H new ATOM 0 HA TYR A 37 15.663 -9.496 1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.636 -6.664 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.364 -6.976 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.747 -8.877 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.607 -5.808 1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.098 -8.850 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.949 -5.782 3.155 1.00 0.00 H new ATOM 0 HH TYR A 37 11.111 -7.177 4.914 1.00 0.00 H new ATOM 586 N THR A 38 15.878 -8.763 -1.518 1.00 0.00 N ATOM 587 CA THR A 38 16.127 -8.850 -2.948 1.00 0.00 C ATOM 588 C THR A 38 15.185 -7.932 -3.725 1.00 0.00 C ATOM 589 O THR A 38 13.964 -7.998 -3.571 1.00 0.00 O ATOM 590 CB THR A 38 15.965 -10.307 -3.439 1.00 0.00 C ATOM 591 OG1 THR A 38 16.907 -11.149 -2.759 1.00 0.00 O ATOM 592 CG2 THR A 38 16.180 -10.412 -4.944 1.00 0.00 C ATOM 0 H THR A 38 14.894 -8.649 -1.273 1.00 0.00 H new ATOM 0 HA THR A 38 17.152 -8.527 -3.129 1.00 0.00 H new ATOM 0 HB THR A 38 14.948 -10.630 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.803 -12.073 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.059 -11.449 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.449 -9.789 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.186 -10.073 -5.192 1.00 0.00 H new ATOM 600 N LYS A 39 15.766 -7.060 -4.538 1.00 0.00 N ATOM 601 CA LYS A 39 15.004 -6.166 -5.401 1.00 0.00 C ATOM 602 C LYS A 39 14.314 -6.963 -6.504 1.00 0.00 C ATOM 603 O LYS A 39 14.957 -7.743 -7.205 1.00 0.00 O ATOM 604 CB LYS A 39 15.945 -5.124 -6.017 1.00 0.00 C ATOM 605 CG LYS A 39 15.266 -4.141 -6.958 1.00 0.00 C ATOM 606 CD LYS A 39 16.290 -3.338 -7.746 1.00 0.00 C ATOM 607 CE LYS A 39 17.087 -2.392 -6.860 1.00 0.00 C ATOM 608 NZ LYS A 39 16.321 -1.161 -6.527 1.00 0.00 N ATOM 0 H LYS A 39 16.777 -6.952 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 39 14.243 -5.659 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.425 -4.566 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.735 -5.642 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.616 -4.682 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.632 -3.464 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.973 -4.021 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.781 -2.765 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.365 -2.906 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.013 -2.117 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.887 -0.560 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.106 -0.639 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.433 -1.422 -6.053 1.00 0.00 H new ATOM 622 N ILE A 40 13.009 -6.776 -6.649 1.00 0.00 N ATOM 623 CA ILE A 40 12.245 -7.509 -7.654 1.00 0.00 C ATOM 624 C ILE A 40 11.668 -6.582 -8.723 1.00 0.00 C ATOM 625 O ILE A 40 10.915 -7.016 -9.600 1.00 0.00 O ATOM 626 CB ILE A 40 11.105 -8.323 -7.017 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.258 -7.442 -6.096 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.669 -9.515 -6.258 1.00 0.00 C ATOM 629 CD1 ILE A 40 9.090 -8.174 -5.467 1.00 0.00 C ATOM 0 H ILE A 40 12.458 -6.127 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 40 12.947 -8.193 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 40 10.459 -8.695 -7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.893 -7.040 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.880 -6.592 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.852 -10.082 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.223 -10.155 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.337 -9.163 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.534 -7.489 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.434 -8.553 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.461 -9.007 -4.870 1.00 0.00 H new ATOM 641 N GLY A 41 12.014 -5.307 -8.645 1.00 0.00 N ATOM 642 CA GLY A 41 11.610 -4.369 -9.673 1.00 0.00 C ATOM 643 C GLY A 41 10.822 -3.201 -9.124 1.00 0.00 C ATOM 644 O GLY A 41 10.321 -3.252 -7.998 1.00 0.00 O ATOM 0 H GLY A 41 12.567 -4.904 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.496 -3.995 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.008 -4.890 -10.417 1.00 0.00 H new ATOM 648 N THR A 42 10.691 -2.164 -9.930 1.00 0.00 N ATOM 649 CA THR A 42 10.014 -0.949 -9.520 1.00 0.00 C ATOM 650 C THR A 42 8.632 -0.861 -10.171 1.00 0.00 C ATOM 651 O THR A 42 8.394 -1.428 -11.240 1.00 0.00 O ATOM 652 CB THR A 42 10.848 0.283 -9.923 1.00 0.00 C ATOM 653 OG1 THR A 42 12.234 0.044 -9.640 1.00 0.00 O ATOM 654 CG2 THR A 42 10.402 1.539 -9.192 1.00 0.00 C ATOM 0 H THR A 42 11.050 -2.140 -10.884 1.00 0.00 H new ATOM 0 HA THR A 42 9.897 -0.970 -8.437 1.00 0.00 H new ATOM 0 HB THR A 42 10.698 0.442 -10.991 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.330 -0.265 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.018 2.381 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.358 1.745 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.511 1.393 -8.117 1.00 0.00 H new ATOM 662 N ILE A 43 7.729 -0.156 -9.514 1.00 0.00 N ATOM 663 CA ILE A 43 6.401 0.104 -10.057 1.00 0.00 C ATOM 664 C ILE A 43 6.255 1.595 -10.324 1.00 0.00 C ATOM 665 O ILE A 43 7.051 2.387 -9.823 1.00 0.00 O ATOM 666 CB ILE A 43 5.279 -0.375 -9.106 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.428 0.278 -7.730 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.297 -1.892 -8.986 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.432 -0.219 -6.705 1.00 0.00 C ATOM 0 H ILE A 43 7.891 0.252 -8.593 1.00 0.00 H new ATOM 0 HA ILE A 43 6.299 -0.458 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 43 4.318 -0.075 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.437 0.096 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.317 1.357 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.502 -2.213 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.143 -2.337 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.260 -2.214 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.601 0.290 -5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.419 -0.013 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.557 -1.293 -6.567 1.00 0.00 H new ATOM 681 N SER A 44 5.250 1.980 -11.094 1.00 0.00 N ATOM 682 CA SER A 44 5.111 3.371 -11.505 1.00 0.00 C ATOM 683 C SER A 44 3.639 3.768 -11.625 1.00 0.00 C ATOM 684 O SER A 44 2.752 2.909 -11.667 1.00 0.00 O ATOM 685 CB SER A 44 5.828 3.589 -12.843 1.00 0.00 C ATOM 686 OG SER A 44 5.887 4.964 -13.192 1.00 0.00 O ATOM 0 H SER A 44 4.523 1.356 -11.445 1.00 0.00 H new ATOM 0 HA SER A 44 5.567 4.002 -10.742 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.839 3.185 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.310 3.037 -13.627 1.00 0.00 H new ATOM 0 HG SER A 44 5.965 5.505 -12.379 1.00 0.00 H new ATOM 692 N THR A 45 3.400 5.070 -11.703 1.00 0.00 N ATOM 693 CA THR A 45 2.050 5.615 -11.781 1.00 0.00 C ATOM 694 C THR A 45 1.948 6.721 -12.821 1.00 0.00 C ATOM 695 O THR A 45 2.917 7.439 -13.074 1.00 0.00 O ATOM 696 CB THR A 45 1.603 6.188 -10.430 1.00 0.00 C ATOM 697 OG1 THR A 45 2.753 6.576 -9.660 1.00 0.00 O ATOM 698 CG2 THR A 45 0.768 5.180 -9.663 1.00 0.00 C ATOM 0 H THR A 45 4.134 5.778 -11.714 1.00 0.00 H new ATOM 0 HA THR A 45 1.403 4.786 -12.067 1.00 0.00 H new ATOM 0 HB THR A 45 0.984 7.066 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.462 6.943 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.464 5.610 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.118 4.924 -10.244 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.357 4.281 -9.484 1.00 0.00 H new ATOM 706 N THR A 46 0.768 6.835 -13.421 1.00 0.00 N ATOM 707 CA THR A 46 0.445 7.922 -14.333 1.00 0.00 C ATOM 708 C THR A 46 -0.983 7.757 -14.845 1.00 0.00 C ATOM 709 O THR A 46 -1.522 6.649 -14.857 1.00 0.00 O ATOM 710 CB THR A 46 1.427 7.996 -15.525 1.00 0.00 C ATOM 711 OG1 THR A 46 1.186 9.186 -16.287 1.00 0.00 O ATOM 712 CG2 THR A 46 1.299 6.775 -16.424 1.00 0.00 C ATOM 0 H THR A 46 0.006 6.171 -13.286 1.00 0.00 H new ATOM 0 HA THR A 46 0.536 8.856 -13.778 1.00 0.00 H new ATOM 0 HB THR A 46 2.440 8.019 -15.124 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.813 9.226 -17.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.003 6.858 -17.252 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.519 5.875 -15.849 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.283 6.716 -16.815 1.00 0.00 H new ATOM 720 N GLY A 47 -1.596 8.859 -15.247 1.00 0.00 N ATOM 721 CA GLY A 47 -2.951 8.820 -15.748 1.00 0.00 C ATOM 722 C GLY A 47 -3.683 10.111 -15.473 1.00 0.00 C ATOM 723 O GLY A 47 -3.381 11.142 -16.070 1.00 0.00 O ATOM 0 H GLY A 47 -1.174 9.787 -15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.937 8.631 -16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.487 7.992 -15.285 1.00 0.00 H new ATOM 727 N GLU A 48 -4.639 10.047 -14.564 1.00 0.00 N ATOM 728 CA GLU A 48 -5.383 11.228 -14.133 1.00 0.00 C ATOM 729 C GLU A 48 -6.184 10.910 -12.879 1.00 0.00 C ATOM 730 O GLU A 48 -7.245 11.483 -12.632 1.00 0.00 O ATOM 731 CB GLU A 48 -6.305 11.726 -15.252 1.00 0.00 C ATOM 732 CG GLU A 48 -7.384 10.738 -15.653 1.00 0.00 C ATOM 733 CD GLU A 48 -8.269 11.278 -16.750 1.00 0.00 C ATOM 734 OE1 GLU A 48 -8.941 12.309 -16.533 1.00 0.00 O ATOM 735 OE2 GLU A 48 -8.297 10.680 -17.841 1.00 0.00 O ATOM 0 H GLU A 48 -4.924 9.183 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.673 12.023 -13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.778 12.654 -14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.701 11.962 -16.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.919 9.810 -15.986 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.994 10.495 -14.783 1.00 0.00 H new ATOM 742 N MET A 49 -5.641 10.013 -12.078 1.00 0.00 N ATOM 743 CA MET A 49 -6.315 9.558 -10.870 1.00 0.00 C ATOM 744 C MET A 49 -5.905 10.420 -9.688 1.00 0.00 C ATOM 745 O MET A 49 -4.955 11.201 -9.783 1.00 0.00 O ATOM 746 CB MET A 49 -5.977 8.090 -10.585 1.00 0.00 C ATOM 747 CG MET A 49 -6.418 7.112 -11.672 1.00 0.00 C ATOM 748 SD MET A 49 -8.211 6.842 -11.736 1.00 0.00 S ATOM 749 CE MET A 49 -8.786 8.350 -12.517 1.00 0.00 C ATOM 0 H MET A 49 -4.731 9.582 -12.240 1.00 0.00 H new ATOM 0 HA MET A 49 -7.391 9.646 -11.022 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.899 7.999 -10.449 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.443 7.800 -9.643 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.082 7.484 -12.640 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.922 6.155 -11.509 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.556 8.109 -13.250 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.201 9.016 -11.761 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.951 8.843 -13.016 1.00 0.00 H new ATOM 759 N SER A 50 -6.618 10.280 -8.578 1.00 0.00 N ATOM 760 CA SER A 50 -6.277 11.001 -7.364 1.00 0.00 C ATOM 761 C SER A 50 -4.933 10.499 -6.840 1.00 0.00 C ATOM 762 O SER A 50 -4.636 9.304 -6.935 1.00 0.00 O ATOM 763 CB SER A 50 -7.370 10.795 -6.313 1.00 0.00 C ATOM 764 OG SER A 50 -8.655 11.078 -6.849 1.00 0.00 O ATOM 0 H SER A 50 -7.434 9.674 -8.496 1.00 0.00 H new ATOM 0 HA SER A 50 -6.200 12.067 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.342 9.767 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.180 11.440 -5.455 1.00 0.00 H new ATOM 0 HG SER A 50 -9.336 10.937 -6.158 1.00 0.00 H new ATOM 770 N PRO A 51 -4.101 11.386 -6.275 1.00 0.00 N ATOM 771 CA PRO A 51 -2.753 11.017 -5.848 1.00 0.00 C ATOM 772 C PRO A 51 -2.748 9.974 -4.722 1.00 0.00 C ATOM 773 O PRO A 51 -1.807 9.193 -4.593 1.00 0.00 O ATOM 774 CB PRO A 51 -2.136 12.343 -5.390 1.00 0.00 C ATOM 775 CG PRO A 51 -3.300 13.214 -5.070 1.00 0.00 C ATOM 776 CD PRO A 51 -4.393 12.809 -6.023 1.00 0.00 C ATOM 0 HA PRO A 51 -2.192 10.541 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.496 12.202 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.517 12.782 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.615 13.080 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.045 14.267 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.382 12.947 -5.586 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.366 13.396 -6.941 1.00 0.00 H new ATOM 784 N LEU A 52 -3.789 9.968 -3.898 1.00 0.00 N ATOM 785 CA LEU A 52 -3.956 8.926 -2.884 1.00 0.00 C ATOM 786 C LEU A 52 -4.437 7.632 -3.534 1.00 0.00 C ATOM 787 O LEU A 52 -3.941 6.547 -3.231 1.00 0.00 O ATOM 788 CB LEU A 52 -4.949 9.381 -1.805 1.00 0.00 C ATOM 789 CG LEU A 52 -5.275 8.346 -0.722 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.026 7.963 0.056 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.340 8.888 0.219 1.00 0.00 C ATOM 0 H LEU A 52 -4.530 10.669 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.991 8.744 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.548 10.272 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.879 9.674 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.659 7.450 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.283 7.228 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.289 7.537 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.609 8.850 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.563 8.144 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.976 9.799 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.245 9.110 -0.346 1.00 0.00 H new ATOM 803 N ASP A 53 -5.381 7.773 -4.456 1.00 0.00 N ATOM 804 CA ASP A 53 -5.981 6.632 -5.143 1.00 0.00 C ATOM 805 C ASP A 53 -4.939 5.858 -5.948 1.00 0.00 C ATOM 806 O ASP A 53 -4.953 4.627 -5.983 1.00 0.00 O ATOM 807 CB ASP A 53 -7.110 7.107 -6.062 1.00 0.00 C ATOM 808 CG ASP A 53 -7.768 5.975 -6.826 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.520 5.191 -6.210 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.551 5.874 -8.049 1.00 0.00 O ATOM 0 H ASP A 53 -5.752 8.677 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.390 5.960 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.864 7.622 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.713 7.834 -6.771 1.00 0.00 H new ATOM 815 N ALA A 54 -4.033 6.586 -6.589 1.00 0.00 N ATOM 816 CA ALA A 54 -2.961 5.965 -7.355 1.00 0.00 C ATOM 817 C ALA A 54 -1.938 5.310 -6.427 1.00 0.00 C ATOM 818 O ALA A 54 -1.331 4.297 -6.773 1.00 0.00 O ATOM 819 CB ALA A 54 -2.288 6.994 -8.251 1.00 0.00 C ATOM 0 H ALA A 54 -4.020 7.606 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.395 5.187 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.489 6.516 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.022 7.412 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.870 7.793 -7.638 1.00 0.00 H new ATOM 825 N ARG A 55 -1.763 5.882 -5.240 1.00 0.00 N ATOM 826 CA ARG A 55 -0.822 5.347 -4.270 1.00 0.00 C ATOM 827 C ARG A 55 -1.284 3.993 -3.756 1.00 0.00 C ATOM 828 O ARG A 55 -0.512 3.041 -3.761 1.00 0.00 O ATOM 829 CB ARG A 55 -0.636 6.323 -3.106 1.00 0.00 C ATOM 830 CG ARG A 55 0.484 7.324 -3.330 1.00 0.00 C ATOM 831 CD ARG A 55 0.654 8.247 -2.136 1.00 0.00 C ATOM 832 NE ARG A 55 -0.439 9.215 -2.023 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.963 9.612 -0.860 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.618 9.009 0.269 1.00 0.00 N ATOM 835 NH2 ARG A 55 -1.869 10.589 -0.831 1.00 0.00 N ATOM 0 H ARG A 55 -2.262 6.716 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 55 0.138 5.214 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.568 6.863 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.431 5.758 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.417 6.792 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.272 7.915 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.706 7.652 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.601 8.780 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.822 9.609 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.050 8.238 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.021 9.316 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.165 11.036 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.267 10.889 0.059 1.00 0.00 H new ATOM 849 N GLU A 56 -2.543 3.899 -3.338 1.00 0.00 N ATOM 850 CA GLU A 56 -3.067 2.645 -2.803 1.00 0.00 C ATOM 851 C GLU A 56 -3.106 1.571 -3.887 1.00 0.00 C ATOM 852 O GLU A 56 -3.012 0.378 -3.596 1.00 0.00 O ATOM 853 CB GLU A 56 -4.456 2.836 -2.181 1.00 0.00 C ATOM 854 CG GLU A 56 -5.517 3.334 -3.148 1.00 0.00 C ATOM 855 CD GLU A 56 -6.890 3.403 -2.514 1.00 0.00 C ATOM 856 OE1 GLU A 56 -7.576 2.361 -2.464 1.00 0.00 O ATOM 857 OE2 GLU A 56 -7.289 4.493 -2.062 1.00 0.00 O ATOM 0 H GLU A 56 -3.214 4.667 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.393 2.316 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.785 1.886 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.376 3.542 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.238 4.323 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.553 2.674 -4.015 1.00 0.00 H new ATOM 864 N ASP A 57 -3.224 2.008 -5.138 1.00 0.00 N ATOM 865 CA ASP A 57 -3.172 1.099 -6.278 1.00 0.00 C ATOM 866 C ASP A 57 -1.784 0.485 -6.375 1.00 0.00 C ATOM 867 O ASP A 57 -1.634 -0.716 -6.568 1.00 0.00 O ATOM 868 CB ASP A 57 -3.515 1.841 -7.575 1.00 0.00 C ATOM 869 CG ASP A 57 -3.524 0.933 -8.792 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.412 0.058 -8.875 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.653 1.098 -9.674 1.00 0.00 O ATOM 0 H ASP A 57 -3.357 2.988 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.907 0.307 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.493 2.310 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.792 2.642 -7.731 1.00 0.00 H new ATOM 876 N LEU A 58 -0.773 1.326 -6.208 1.00 0.00 N ATOM 877 CA LEU A 58 0.613 0.874 -6.163 1.00 0.00 C ATOM 878 C LEU A 58 0.852 -0.022 -4.953 1.00 0.00 C ATOM 879 O LEU A 58 1.403 -1.117 -5.073 1.00 0.00 O ATOM 880 CB LEU A 58 1.554 2.081 -6.084 1.00 0.00 C ATOM 881 CG LEU A 58 1.731 2.876 -7.375 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.781 3.960 -7.176 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.114 1.962 -8.529 1.00 0.00 C ATOM 0 H LEU A 58 -0.887 2.334 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 58 0.813 0.306 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.183 2.756 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.534 1.732 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 58 0.781 3.347 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.902 4.523 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.463 4.633 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.731 3.501 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.234 2.553 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.052 1.458 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.331 1.219 -8.680 1.00 0.00 H new ATOM 895 N ILE A 59 0.425 0.461 -3.794 1.00 0.00 N ATOM 896 CA ILE A 59 0.648 -0.221 -2.523 1.00 0.00 C ATOM 897 C ILE A 59 0.081 -1.640 -2.537 1.00 0.00 C ATOM 898 O ILE A 59 0.739 -2.582 -2.091 1.00 0.00 O ATOM 899 CB ILE A 59 0.024 0.588 -1.358 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.699 1.960 -1.251 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.152 -0.169 -0.041 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.131 3.001 -0.523 1.00 0.00 C ATOM 0 H ILE A 59 -0.087 1.339 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 59 1.725 -0.292 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.037 0.729 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.653 1.845 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.921 2.324 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.293 0.419 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.365 -1.126 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.206 -0.343 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.415 3.944 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.074 3.147 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.331 2.661 0.493 1.00 0.00 H new ATOM 914 N LYS A 60 -1.128 -1.804 -3.062 1.00 0.00 N ATOM 915 CA LYS A 60 -1.744 -3.121 -3.098 1.00 0.00 C ATOM 916 C LYS A 60 -1.077 -3.998 -4.151 1.00 0.00 C ATOM 917 O LYS A 60 -0.938 -5.200 -3.962 1.00 0.00 O ATOM 918 CB LYS A 60 -3.251 -3.031 -3.358 1.00 0.00 C ATOM 919 CG LYS A 60 -3.616 -2.636 -4.779 1.00 0.00 C ATOM 920 CD LYS A 60 -5.123 -2.553 -4.970 1.00 0.00 C ATOM 921 CE LYS A 60 -5.798 -3.890 -4.692 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.481 -4.921 -5.718 1.00 0.00 N ATOM 0 H LYS A 60 -1.692 -1.054 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.600 -3.577 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.705 -3.996 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.684 -2.306 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.165 -1.672 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.200 -3.363 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.533 -1.793 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.344 -2.238 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.487 -4.252 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.878 -3.745 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.896 -5.832 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.876 -4.631 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.449 -5.022 -5.801 1.00 0.00 H new ATOM 936 N LYS A 61 -0.640 -3.381 -5.243 1.00 0.00 N ATOM 937 CA LYS A 61 -0.036 -4.102 -6.353 1.00 0.00 C ATOM 938 C LYS A 61 1.347 -4.614 -6.016 1.00 0.00 C ATOM 939 O LYS A 61 1.726 -5.727 -6.393 1.00 0.00 O ATOM 940 CB LYS A 61 0.009 -3.198 -7.568 1.00 0.00 C ATOM 941 CG LYS A 61 -1.259 -3.307 -8.359 1.00 0.00 C ATOM 942 CD LYS A 61 -1.223 -2.485 -9.632 1.00 0.00 C ATOM 943 CE LYS A 61 -0.254 -3.071 -10.643 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.533 -4.507 -10.911 1.00 0.00 N ATOM 0 H LYS A 61 -0.695 -2.372 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.650 -4.977 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.159 -2.165 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.859 -3.467 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.437 -4.352 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.097 -2.980 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.222 -2.441 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.932 -1.461 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.317 -2.509 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.766 -2.962 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.074 -4.790 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.161 -5.085 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.560 -4.652 -10.990 1.00 0.00 H new ATOM 958 N ALA A 62 2.092 -3.788 -5.323 1.00 0.00 N ATOM 959 CA ALA A 62 3.387 -4.184 -4.791 1.00 0.00 C ATOM 960 C ALA A 62 3.238 -5.425 -3.919 1.00 0.00 C ATOM 961 O ALA A 62 4.000 -6.386 -4.041 1.00 0.00 O ATOM 962 CB ALA A 62 4.000 -3.043 -3.998 1.00 0.00 C ATOM 0 H ALA A 62 1.826 -2.827 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 62 4.052 -4.422 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.969 -3.352 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.131 -2.178 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.341 -2.779 -3.171 1.00 0.00 H new ATOM 968 N ASP A 63 2.225 -5.403 -3.064 1.00 0.00 N ATOM 969 CA ASP A 63 1.940 -6.521 -2.175 1.00 0.00 C ATOM 970 C ASP A 63 1.379 -7.705 -2.964 1.00 0.00 C ATOM 971 O ASP A 63 1.627 -8.863 -2.625 1.00 0.00 O ATOM 972 CB ASP A 63 0.945 -6.085 -1.095 1.00 0.00 C ATOM 973 CG ASP A 63 0.728 -7.140 -0.029 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.507 -7.172 0.946 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.239 -7.926 -0.148 1.00 0.00 O ATOM 0 H ASP A 63 1.582 -4.617 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 63 2.868 -6.836 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.305 -5.170 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.010 -5.848 -1.563 1.00 0.00 H new ATOM 980 N GLU A 64 0.632 -7.402 -4.027 1.00 0.00 N ATOM 981 CA GLU A 64 0.046 -8.429 -4.887 1.00 0.00 C ATOM 982 C GLU A 64 1.117 -9.300 -5.538 1.00 0.00 C ATOM 983 O GLU A 64 0.977 -10.522 -5.597 1.00 0.00 O ATOM 984 CB GLU A 64 -0.842 -7.800 -5.971 1.00 0.00 C ATOM 985 CG GLU A 64 -2.266 -7.550 -5.527 1.00 0.00 C ATOM 986 CD GLU A 64 -3.169 -7.162 -6.678 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.729 -8.070 -7.332 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.323 -5.951 -6.938 1.00 0.00 O ATOM 0 H GLU A 64 0.418 -6.447 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.569 -9.064 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.399 -6.855 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.853 -8.454 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.657 -8.448 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.277 -6.759 -4.778 1.00 0.00 H new ATOM 995 N LYS A 65 2.187 -8.677 -6.019 1.00 0.00 N ATOM 996 CA LYS A 65 3.249 -9.425 -6.685 1.00 0.00 C ATOM 997 C LYS A 65 4.161 -10.101 -5.658 1.00 0.00 C ATOM 998 O LYS A 65 4.937 -11.000 -5.991 1.00 0.00 O ATOM 999 CB LYS A 65 4.056 -8.520 -7.631 1.00 0.00 C ATOM 1000 CG LYS A 65 5.045 -9.288 -8.503 1.00 0.00 C ATOM 1001 CD LYS A 65 5.595 -8.460 -9.664 1.00 0.00 C ATOM 1002 CE LYS A 65 6.512 -7.335 -9.198 1.00 0.00 C ATOM 1003 NZ LYS A 65 5.767 -6.101 -8.820 1.00 0.00 N ATOM 0 H LYS A 65 2.342 -7.670 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 65 2.785 -10.204 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.367 -7.971 -8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.599 -7.782 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.875 -9.630 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.555 -10.177 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.143 -9.113 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.765 -8.037 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.095 -7.678 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.220 -7.097 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.287 -5.265 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.822 -6.119 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.671 -6.056 -7.785 1.00 0.00 H new ATOM 1017 N GLY A 66 4.053 -9.677 -4.409 1.00 0.00 N ATOM 1018 CA GLY A 66 4.812 -10.307 -3.346 1.00 0.00 C ATOM 1019 C GLY A 66 6.007 -9.491 -2.910 1.00 0.00 C ATOM 1020 O GLY A 66 7.138 -9.765 -3.314 1.00 0.00 O ATOM 0 H GLY A 66 3.454 -8.908 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.159 -10.471 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.151 -11.287 -3.681 1.00 0.00 H new ATOM 1024 N ALA A 67 5.754 -8.491 -2.090 1.00 0.00 N ATOM 1025 CA ALA A 67 6.808 -7.650 -1.550 1.00 0.00 C ATOM 1026 C ALA A 67 6.839 -7.756 -0.038 1.00 0.00 C ATOM 1027 O ALA A 67 5.806 -7.941 0.604 1.00 0.00 O ATOM 1028 CB ALA A 67 6.608 -6.204 -1.978 1.00 0.00 C ATOM 0 H ALA A 67 4.816 -8.237 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 67 7.764 -7.995 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.407 -5.588 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.627 -6.141 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.646 -5.846 -1.611 1.00 0.00 H new ATOM 1034 N ASP A 68 8.030 -7.668 0.519 1.00 0.00 N ATOM 1035 CA ASP A 68 8.201 -7.676 1.961 1.00 0.00 C ATOM 1036 C ASP A 68 8.254 -6.240 2.456 1.00 0.00 C ATOM 1037 O ASP A 68 7.523 -5.848 3.362 1.00 0.00 O ATOM 1038 CB ASP A 68 9.490 -8.419 2.324 1.00 0.00 C ATOM 1039 CG ASP A 68 9.611 -8.742 3.803 1.00 0.00 C ATOM 1040 OD1 ASP A 68 9.542 -7.816 4.634 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.824 -9.927 4.135 1.00 0.00 O ATOM 0 H ASP A 68 8.900 -7.590 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 68 7.364 -8.189 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.538 -9.346 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.345 -7.814 2.022 1.00 0.00 H new ATOM 1046 N VAL A 69 9.115 -5.455 1.830 1.00 0.00 N ATOM 1047 CA VAL A 69 9.250 -4.044 2.164 1.00 0.00 C ATOM 1048 C VAL A 69 9.131 -3.201 0.904 1.00 0.00 C ATOM 1049 O VAL A 69 9.630 -3.585 -0.157 1.00 0.00 O ATOM 1050 CB VAL A 69 10.588 -3.747 2.885 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.860 -2.250 2.963 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.574 -4.345 4.281 1.00 0.00 C ATOM 0 H VAL A 69 9.734 -5.772 1.084 1.00 0.00 H new ATOM 0 HA VAL A 69 8.445 -3.785 2.852 1.00 0.00 H new ATOM 0 HB VAL A 69 11.388 -4.204 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.807 -2.078 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.912 -1.837 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.056 -1.762 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.520 -4.130 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.755 -3.911 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.437 -5.424 4.213 1.00 0.00 H new ATOM 1062 N VAL A 70 8.467 -2.063 1.009 1.00 0.00 N ATOM 1063 CA VAL A 70 8.298 -1.193 -0.139 1.00 0.00 C ATOM 1064 C VAL A 70 8.934 0.167 0.133 1.00 0.00 C ATOM 1065 O VAL A 70 8.901 0.660 1.261 1.00 0.00 O ATOM 1066 CB VAL A 70 6.804 -1.015 -0.503 1.00 0.00 C ATOM 1067 CG1 VAL A 70 6.198 -2.341 -0.927 1.00 0.00 C ATOM 1068 CG2 VAL A 70 6.020 -0.433 0.660 1.00 0.00 C ATOM 0 H VAL A 70 8.040 -1.723 1.870 1.00 0.00 H new ATOM 0 HA VAL A 70 8.796 -1.662 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 70 6.747 -0.316 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.147 -2.197 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.731 -2.723 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.280 -3.057 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.974 -0.320 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.091 -1.102 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.431 0.541 0.925 1.00 0.00 H new ATOM 1078 N VAL A 71 9.532 0.754 -0.893 1.00 0.00 N ATOM 1079 CA VAL A 71 10.139 2.067 -0.768 1.00 0.00 C ATOM 1080 C VAL A 71 9.466 3.033 -1.725 1.00 0.00 C ATOM 1081 O VAL A 71 9.665 2.964 -2.940 1.00 0.00 O ATOM 1082 CB VAL A 71 11.660 2.029 -1.050 1.00 0.00 C ATOM 1083 CG1 VAL A 71 12.280 3.404 -0.853 1.00 0.00 C ATOM 1084 CG2 VAL A 71 12.346 1.005 -0.163 1.00 0.00 C ATOM 0 H VAL A 71 9.609 0.340 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 71 10.000 2.401 0.260 1.00 0.00 H new ATOM 0 HB VAL A 71 11.803 1.734 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.350 3.353 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.814 4.115 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.121 3.731 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.415 0.995 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.189 1.267 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.928 0.017 -0.357 1.00 0.00 H new ATOM 1094 N LEU A 72 8.643 3.913 -1.180 1.00 0.00 N ATOM 1095 CA LEU A 72 7.907 4.857 -1.992 1.00 0.00 C ATOM 1096 C LEU A 72 8.793 6.020 -2.407 1.00 0.00 C ATOM 1097 O LEU A 72 8.947 6.994 -1.665 1.00 0.00 O ATOM 1098 CB LEU A 72 6.673 5.375 -1.245 1.00 0.00 C ATOM 1099 CG LEU A 72 5.659 4.307 -0.823 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.466 4.950 -0.130 1.00 0.00 C ATOM 1101 CD2 LEU A 72 5.197 3.493 -2.023 1.00 0.00 C ATOM 0 H LEU A 72 8.470 3.990 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 72 7.575 4.336 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.006 5.906 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.165 6.102 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 72 6.150 3.633 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.755 4.177 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.805 5.486 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.982 5.648 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.478 2.741 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.727 4.154 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.055 3.000 -2.480 1.00 0.00 H new ATOM 1113 N THR A 73 9.403 5.899 -3.577 1.00 0.00 N ATOM 1114 CA THR A 73 10.139 7.004 -4.160 1.00 0.00 C ATOM 1115 C THR A 73 9.165 8.110 -4.535 1.00 0.00 C ATOM 1116 O THR A 73 9.491 9.294 -4.453 1.00 0.00 O ATOM 1117 CB THR A 73 10.939 6.552 -5.397 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.151 5.651 -6.185 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.234 5.873 -4.981 1.00 0.00 C ATOM 0 H THR A 73 9.401 5.047 -4.138 1.00 0.00 H new ATOM 0 HA THR A 73 10.853 7.376 -3.425 1.00 0.00 H new ATOM 0 HB THR A 73 11.184 7.433 -5.990 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.216 5.946 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.783 5.562 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.842 6.570 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.007 4.999 -4.370 1.00 0.00 H new ATOM 1127 N SER A 74 7.961 7.683 -4.930 1.00 0.00 N ATOM 1128 CA SER A 74 6.816 8.553 -5.211 1.00 0.00 C ATOM 1129 C SER A 74 7.094 9.544 -6.343 1.00 0.00 C ATOM 1130 O SER A 74 8.236 9.779 -6.736 1.00 0.00 O ATOM 1131 CB SER A 74 6.333 9.283 -3.940 1.00 0.00 C ATOM 1132 OG SER A 74 7.324 10.139 -3.399 1.00 0.00 O ATOM 0 H SER A 74 7.751 6.694 -5.067 1.00 0.00 H new ATOM 0 HA SER A 74 6.012 7.901 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.443 9.866 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.043 8.547 -3.190 1.00 0.00 H new ATOM 0 HG SER A 74 8.093 10.174 -4.006 1.00 0.00 H new ATOM 1138 N GLY A 75 6.025 10.085 -6.901 1.00 0.00 N ATOM 1139 CA GLY A 75 6.161 11.087 -7.932 1.00 0.00 C ATOM 1140 C GLY A 75 6.258 12.484 -7.368 1.00 0.00 C ATOM 1141 O GLY A 75 7.009 13.306 -7.890 1.00 0.00 O ATOM 0 H GLY A 75 5.064 9.847 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.050 10.875 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.307 11.029 -8.606 1.00 0.00 H new ATOM 1145 N GLN A 76 5.496 12.752 -6.300 1.00 0.00 N ATOM 1146 CA GLN A 76 5.420 14.093 -5.719 1.00 0.00 C ATOM 1147 C GLN A 76 4.881 15.056 -6.774 1.00 0.00 C ATOM 1148 O GLN A 76 5.226 16.236 -6.826 1.00 0.00 O ATOM 1149 CB GLN A 76 6.802 14.527 -5.220 1.00 0.00 C ATOM 1150 CG GLN A 76 6.804 15.804 -4.396 1.00 0.00 C ATOM 1151 CD GLN A 76 8.198 16.206 -3.954 1.00 0.00 C ATOM 1152 OE1 GLN A 76 9.184 15.912 -4.631 1.00 0.00 O ATOM 1153 NE2 GLN A 76 8.291 16.889 -2.824 1.00 0.00 N ATOM 0 H GLN A 76 4.924 12.055 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 76 4.745 14.096 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.227 13.722 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.458 14.664 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.365 16.612 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.173 15.667 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.450 17.112 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.204 17.192 -2.485 1.00 0.00 H new ATOM 1162 N THR A 77 4.016 14.519 -7.616 1.00 0.00 N ATOM 1163 CA THR A 77 3.481 15.251 -8.746 1.00 0.00 C ATOM 1164 C THR A 77 2.212 16.006 -8.357 1.00 0.00 C ATOM 1165 O THR A 77 1.931 17.077 -8.899 1.00 0.00 O ATOM 1166 CB THR A 77 3.162 14.288 -9.905 1.00 0.00 C ATOM 1167 OG1 THR A 77 4.199 13.303 -10.013 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.029 15.039 -11.223 1.00 0.00 C ATOM 0 H THR A 77 3.666 13.564 -7.534 1.00 0.00 H new ATOM 0 HA THR A 77 4.236 15.969 -9.065 1.00 0.00 H new ATOM 0 HB THR A 77 2.210 13.801 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.392 13.134 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.804 14.333 -12.023 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.224 15.769 -11.146 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.964 15.553 -11.445 1.00 0.00 H new ATOM 1176 N GLU A 78 1.455 15.427 -7.417 1.00 0.00 N ATOM 1177 CA GLU A 78 0.206 16.014 -6.907 1.00 0.00 C ATOM 1178 C GLU A 78 -0.930 15.955 -7.942 1.00 0.00 C ATOM 1179 O GLU A 78 -2.012 15.454 -7.647 1.00 0.00 O ATOM 1180 CB GLU A 78 0.428 17.462 -6.458 1.00 0.00 C ATOM 1181 CG GLU A 78 -0.778 18.074 -5.773 1.00 0.00 C ATOM 1182 CD GLU A 78 -0.658 19.576 -5.635 1.00 0.00 C ATOM 1183 OE1 GLU A 78 0.276 20.044 -4.950 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -1.474 20.298 -6.241 1.00 0.00 O ATOM 0 H GLU A 78 1.691 14.534 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.096 15.414 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.279 17.497 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.689 18.067 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.677 17.834 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.897 17.629 -4.785 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.665 16.484 -9.137 1.00 0.00 N ATOM 1192 CA ASN A 79 -1.637 16.544 -10.226 1.00 0.00 C ATOM 1193 C ASN A 79 -2.259 15.176 -10.514 1.00 0.00 C ATOM 1194 O ASN A 79 -3.425 14.940 -10.205 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.936 17.086 -11.478 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.822 17.106 -12.709 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -1.344 16.912 -13.827 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -3.103 17.359 -12.523 1.00 0.00 N ATOM 0 H ASN A 79 0.241 16.887 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.451 17.206 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.584 18.098 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.056 16.477 -11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.736 17.399 -13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.461 17.514 -11.580 1.00 0.00 H new ATOM 1205 N LYS A 80 -1.477 14.286 -11.109 1.00 0.00 N ATOM 1206 CA LYS A 80 -1.963 12.957 -11.464 1.00 0.00 C ATOM 1207 C LYS A 80 -0.900 11.907 -11.174 1.00 0.00 C ATOM 1208 O LYS A 80 -1.078 10.722 -11.459 1.00 0.00 O ATOM 1209 CB LYS A 80 -2.342 12.936 -12.943 1.00 0.00 C ATOM 1210 CG LYS A 80 -1.211 13.389 -13.855 1.00 0.00 C ATOM 1211 CD LYS A 80 -1.683 13.570 -15.284 1.00 0.00 C ATOM 1212 CE LYS A 80 -0.572 14.090 -16.179 1.00 0.00 C ATOM 1213 NZ LYS A 80 -1.040 14.321 -17.572 1.00 0.00 N ATOM 0 H LYS A 80 -0.503 14.459 -11.357 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.842 12.724 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.642 11.926 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.207 13.580 -13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.799 14.328 -13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.405 12.655 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.047 12.618 -15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.523 14.265 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.182 15.021 -15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.251 13.376 -16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.251 14.675 -18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.389 13.427 -17.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.808 15.022 -17.568 1.00 0.00 H new ATOM 1227 N ILE A 81 0.190 12.377 -10.576 1.00 0.00 N ATOM 1228 CA ILE A 81 1.380 11.570 -10.292 1.00 0.00 C ATOM 1229 C ILE A 81 2.032 11.044 -11.576 1.00 0.00 C ATOM 1230 O ILE A 81 1.399 10.927 -12.626 1.00 0.00 O ATOM 1231 CB ILE A 81 1.095 10.381 -9.339 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.165 10.794 -8.202 1.00 0.00 C ATOM 1233 CG2 ILE A 81 2.393 9.853 -8.742 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -0.027 9.701 -7.173 1.00 0.00 C ATOM 0 H ILE A 81 0.276 13.346 -10.268 1.00 0.00 H new ATOM 0 HA ILE A 81 2.070 12.247 -9.788 1.00 0.00 H new ATOM 0 HB ILE A 81 0.613 9.601 -9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.569 11.680 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.805 11.072 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.174 9.019 -8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.051 9.515 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.884 10.647 -8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.698 10.053 -6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.458 8.822 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.937 9.440 -6.736 1.00 0.00 H new ATOM 1246 N HIS A 82 3.319 10.770 -11.481 1.00 0.00 N ATOM 1247 CA HIS A 82 4.082 10.196 -12.577 1.00 0.00 C ATOM 1248 C HIS A 82 5.320 9.535 -11.985 1.00 0.00 C ATOM 1249 O HIS A 82 6.352 9.391 -12.640 1.00 0.00 O ATOM 1250 CB HIS A 82 4.475 11.289 -13.581 1.00 0.00 C ATOM 1251 CG HIS A 82 4.893 10.779 -14.934 1.00 0.00 C ATOM 1252 ND1 HIS A 82 5.102 11.610 -16.010 1.00 0.00 N ATOM 1253 CD2 HIS A 82 5.141 9.523 -15.379 1.00 0.00 C ATOM 1254 CE1 HIS A 82 5.462 10.891 -17.059 1.00 0.00 C ATOM 1255 NE2 HIS A 82 5.496 9.620 -16.699 1.00 0.00 N ATOM 0 H HIS A 82 3.869 10.939 -10.639 1.00 0.00 H new ATOM 0 HA HIS A 82 3.485 9.458 -13.113 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.631 11.967 -13.708 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.293 11.874 -13.160 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.072 8.614 -14.800 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.689 11.276 -18.042 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.746 8.838 -17.305 1.00 0.00 H new ATOM 1264 N GLY A 83 5.189 9.115 -10.735 1.00 0.00 N ATOM 1265 CA GLY A 83 6.331 8.634 -9.993 1.00 0.00 C ATOM 1266 C GLY A 83 6.374 7.134 -9.888 1.00 0.00 C ATOM 1267 O GLY A 83 5.674 6.433 -10.617 1.00 0.00 O ATOM 0 H GLY A 83 4.308 9.100 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.244 8.985 -10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.313 9.063 -8.991 1.00 0.00 H new ATOM 1271 N THR A 84 7.170 6.649 -8.953 1.00 0.00 N ATOM 1272 CA THR A 84 7.447 5.228 -8.845 1.00 0.00 C ATOM 1273 C THR A 84 7.435 4.749 -7.395 1.00 0.00 C ATOM 1274 O THR A 84 7.203 5.525 -6.464 1.00 0.00 O ATOM 1275 CB THR A 84 8.826 4.891 -9.459 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.812 5.830 -9.000 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.771 4.897 -10.978 1.00 0.00 C ATOM 0 H THR A 84 7.639 7.223 -8.252 1.00 0.00 H new ATOM 0 HA THR A 84 6.655 4.717 -9.392 1.00 0.00 H new ATOM 0 HB THR A 84 9.103 3.888 -9.135 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.911 5.752 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.756 4.657 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.049 4.155 -11.319 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.468 5.884 -11.327 1.00 0.00 H new ATOM 1285 N ALA A 85 7.666 3.460 -7.230 1.00 0.00 N ATOM 1286 CA ALA A 85 7.912 2.869 -5.927 1.00 0.00 C ATOM 1287 C ALA A 85 8.724 1.597 -6.118 1.00 0.00 C ATOM 1288 O ALA A 85 8.400 0.783 -6.982 1.00 0.00 O ATOM 1289 CB ALA A 85 6.605 2.565 -5.215 1.00 0.00 C ATOM 0 H ALA A 85 7.688 2.790 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 85 8.467 3.573 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.815 2.123 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.041 3.488 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.020 1.866 -5.812 1.00 0.00 H new ATOM 1295 N ASP A 86 9.767 1.416 -5.328 1.00 0.00 N ATOM 1296 CA ASP A 86 10.670 0.294 -5.538 1.00 0.00 C ATOM 1297 C ASP A 86 10.543 -0.679 -4.390 1.00 0.00 C ATOM 1298 O ASP A 86 10.637 -0.291 -3.227 1.00 0.00 O ATOM 1299 CB ASP A 86 12.112 0.775 -5.684 1.00 0.00 C ATOM 1300 CG ASP A 86 13.062 -0.328 -6.107 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.909 -0.852 -7.230 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.992 -0.645 -5.337 1.00 0.00 O ATOM 0 H ASP A 86 10.010 2.022 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 86 10.396 -0.211 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.149 1.580 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.448 1.193 -4.735 1.00 0.00 H new ATOM 1307 N ILE A 87 10.307 -1.933 -4.715 1.00 0.00 N ATOM 1308 CA ILE A 87 9.970 -2.912 -3.701 1.00 0.00 C ATOM 1309 C ILE A 87 11.024 -4.006 -3.586 1.00 0.00 C ATOM 1310 O ILE A 87 11.732 -4.319 -4.549 1.00 0.00 O ATOM 1311 CB ILE A 87 8.594 -3.542 -3.982 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.609 -4.328 -5.295 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.529 -2.457 -4.031 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.286 -4.983 -5.608 1.00 0.00 C ATOM 0 H ILE A 87 10.342 -2.298 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 87 9.934 -2.380 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 87 8.362 -4.237 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.877 -3.656 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.384 -5.093 -5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.558 -2.909 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.497 -1.935 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.768 -1.748 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.362 -5.524 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.027 -5.679 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.512 -4.220 -5.689 1.00 0.00 H new ATOM 1326 N TYR A 88 11.112 -4.588 -2.400 1.00 0.00 N ATOM 1327 CA TYR A 88 12.057 -5.656 -2.129 1.00 0.00 C ATOM 1328 C TYR A 88 11.349 -6.809 -1.443 1.00 0.00 C ATOM 1329 O TYR A 88 10.425 -6.601 -0.652 1.00 0.00 O ATOM 1330 CB TYR A 88 13.190 -5.170 -1.219 1.00 0.00 C ATOM 1331 CG TYR A 88 14.131 -4.160 -1.841 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.744 -2.839 -2.031 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.413 -4.528 -2.224 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.608 -1.918 -2.592 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.284 -3.611 -2.782 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.876 -2.306 -2.964 1.00 0.00 C ATOM 1337 OH TYR A 88 16.742 -1.387 -3.521 1.00 0.00 O ATOM 0 H TYR A 88 10.531 -4.333 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 88 12.476 -5.981 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.751 -4.730 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.772 -6.034 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.753 -2.527 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.736 -5.549 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.290 -0.896 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.278 -3.915 -3.074 1.00 0.00 H new ATOM 0 HH TYR A 88 17.595 -1.824 -3.725 1.00 0.00 H new ATOM 1347 N LYS A 89 11.780 -8.018 -1.736 1.00 0.00 N ATOM 1348 CA LYS A 89 11.299 -9.177 -1.018 1.00 0.00 C ATOM 1349 C LYS A 89 12.409 -9.708 -0.135 1.00 0.00 C ATOM 1350 O LYS A 89 13.563 -9.320 -0.295 1.00 0.00 O ATOM 1351 CB LYS A 89 10.808 -10.262 -1.964 1.00 0.00 C ATOM 1352 CG LYS A 89 11.886 -10.942 -2.776 1.00 0.00 C ATOM 1353 CD LYS A 89 11.312 -12.187 -3.409 1.00 0.00 C ATOM 1354 CE LYS A 89 12.313 -12.908 -4.297 1.00 0.00 C ATOM 1355 NZ LYS A 89 11.735 -14.149 -4.879 1.00 0.00 N ATOM 0 H LYS A 89 12.462 -8.223 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 89 10.449 -8.877 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.282 -11.019 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.081 -9.824 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.260 -10.267 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.732 -11.199 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.973 -12.865 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.436 -11.919 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.633 -12.244 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.201 -13.157 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.446 -14.615 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.453 -14.793 -4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.902 -13.908 -5.453 1.00 0.00 H new ATOM 1369 N LYS A 90 12.071 -10.571 0.801 1.00 0.00 N ATOM 1370 CA LYS A 90 13.075 -11.174 1.663 1.00 0.00 C ATOM 1371 C LYS A 90 13.805 -12.292 0.917 1.00 0.00 C ATOM 1372 O LYS A 90 13.197 -13.014 0.124 1.00 0.00 O ATOM 1373 CB LYS A 90 12.410 -11.702 2.939 1.00 0.00 C ATOM 1374 CG LYS A 90 13.379 -12.293 3.954 1.00 0.00 C ATOM 1375 CD LYS A 90 12.669 -12.686 5.244 1.00 0.00 C ATOM 1376 CE LYS A 90 12.616 -11.542 6.254 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.918 -10.332 5.735 1.00 0.00 N ATOM 0 H LYS A 90 11.114 -10.872 0.986 1.00 0.00 H new ATOM 0 HA LYS A 90 13.812 -10.422 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.860 -10.888 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.680 -12.464 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.867 -13.168 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.162 -11.568 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.654 -13.009 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.181 -13.538 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.111 -11.886 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.632 -11.272 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.644 -9.721 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.555 -9.809 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.067 -10.620 5.211 1.00 0.00 H new ATOM 1391 N LYS A 91 15.109 -12.413 1.155 1.00 0.00 N ATOM 1392 CA LYS A 91 15.925 -13.450 0.526 1.00 0.00 C ATOM 1393 C LYS A 91 15.498 -14.837 0.992 1.00 0.00 C ATOM 1394 O LYS A 91 14.619 -14.979 1.841 1.00 0.00 O ATOM 1395 CB LYS A 91 17.406 -13.256 0.863 1.00 0.00 C ATOM 1396 CG LYS A 91 18.114 -12.146 0.098 1.00 0.00 C ATOM 1397 CD LYS A 91 19.570 -12.060 0.538 1.00 0.00 C ATOM 1398 CE LYS A 91 20.447 -11.312 -0.456 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.419 -9.840 -0.251 1.00 0.00 N ATOM 0 H LYS A 91 15.627 -11.800 1.784 1.00 0.00 H new ATOM 0 HA LYS A 91 15.780 -13.367 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.494 -13.051 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.929 -14.194 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.060 -12.339 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.614 -11.194 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.623 -11.563 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.963 -13.067 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.474 -11.668 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.117 -11.540 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.272 -9.415 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.574 -9.442 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.391 -9.632 0.768 1.00 0.00 H new ATOM 1413 N LEU A 92 16.134 -15.863 0.447 1.00 0.00 N ATOM 1414 CA LEU A 92 15.850 -17.222 0.870 1.00 0.00 C ATOM 1415 C LEU A 92 16.702 -17.564 2.083 1.00 0.00 C ATOM 1416 O LEU A 92 16.342 -18.412 2.897 1.00 0.00 O ATOM 1417 CB LEU A 92 16.053 -18.220 -0.285 1.00 0.00 C ATOM 1418 CG LEU A 92 17.428 -18.213 -0.968 1.00 0.00 C ATOM 1419 CD1 LEU A 92 18.416 -19.103 -0.227 1.00 0.00 C ATOM 1420 CD2 LEU A 92 17.297 -18.652 -2.419 1.00 0.00 C ATOM 0 H LEU A 92 16.843 -15.780 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 92 14.802 -17.297 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.867 -19.224 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.295 -18.022 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 92 17.814 -17.194 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 92 19.380 -19.077 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.534 -18.743 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.042 -20.127 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.279 -18.643 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.885 -19.660 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.633 -17.968 -2.948 1.00 0.00 H new ATOM 1432 N GLU A 93 17.813 -16.860 2.203 1.00 0.00 N ATOM 1433 CA GLU A 93 18.669 -16.953 3.375 1.00 0.00 C ATOM 1434 C GLU A 93 18.128 -16.017 4.447 1.00 0.00 C ATOM 1435 O GLU A 93 18.308 -14.799 4.369 1.00 0.00 O ATOM 1436 CB GLU A 93 20.107 -16.578 3.009 1.00 0.00 C ATOM 1437 CG GLU A 93 20.680 -17.427 1.888 1.00 0.00 C ATOM 1438 CD GLU A 93 21.968 -16.867 1.331 1.00 0.00 C ATOM 1439 OE1 GLU A 93 21.900 -15.933 0.500 1.00 0.00 O ATOM 1440 OE2 GLU A 93 23.048 -17.364 1.704 1.00 0.00 O ATOM 0 H GLU A 93 18.148 -16.209 1.493 1.00 0.00 H new ATOM 0 HA GLU A 93 18.674 -17.976 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.138 -15.529 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.738 -16.680 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.858 -18.437 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.946 -17.505 1.086 1.00 0.00 H new