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 141:sc= -2.2 (180deg=-1.22) USER MOD Set 1.2: A 37 TYR OH : rot 179:sc= 1.12 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -0.932 K(o=-2,f=-8.9!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.18 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.161 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -44:sc= 0.00268 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 40 SER OG : rot 170:sc= -0.456 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00166 K(o=-0.0017,f=-1.3!) USER MOD Single : A 55 MET CE :methyl -179:sc= -0.0375 (180deg=-0.0418) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.9!) 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= -0.437 K(o=-0.44,f=-1.3) USER MOD Single : A 77 SER OG : rot 130:sc= 0.206 USER MOD Single : A 79 HIS : no HD1:sc= -0.33 X(o=-0.33,f=0.0017) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -120:sc= -2.46! (180deg=-5.57!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.053 -24.846 27.395 1.00 0.00 N ATOM 331 CA VAL A 25 27.778 -24.273 26.981 1.00 0.00 C ATOM 332 C VAL A 25 27.980 -22.942 26.265 1.00 0.00 C ATOM 333 O VAL A 25 27.194 -22.567 25.395 1.00 0.00 O ATOM 334 CB VAL A 25 26.841 -24.059 28.184 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.530 -23.431 27.736 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.591 -25.375 28.905 1.00 0.00 C ATOM 0 HA VAL A 25 27.319 -24.985 26.295 1.00 0.00 H new ATOM 0 HB VAL A 25 27.325 -23.374 28.881 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.881 -23.288 28.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.730 -22.467 27.268 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.038 -24.088 27.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.927 -25.205 29.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.129 -26.084 28.218 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.538 -25.780 29.262 1.00 0.00 H new ATOM 346 N ASP A 26 29.039 -22.232 26.638 1.00 0.00 N ATOM 347 CA ASP A 26 29.347 -20.942 26.031 1.00 0.00 C ATOM 348 C ASP A 26 29.682 -21.104 24.551 1.00 0.00 C ATOM 349 O ASP A 26 29.367 -20.239 23.735 1.00 0.00 O ATOM 350 CB ASP A 26 30.513 -20.275 26.761 1.00 0.00 C ATOM 351 CG ASP A 26 31.861 -20.739 26.244 1.00 0.00 C ATOM 352 OD1 ASP A 26 32.289 -20.247 25.179 1.00 0.00 O ATOM 353 OD2 ASP A 26 32.488 -21.593 26.905 1.00 0.00 O ATOM 0 H ASP A 26 29.699 -22.528 27.358 1.00 0.00 H new ATOM 0 HA ASP A 26 28.465 -20.308 26.118 1.00 0.00 H new ATOM 0 HB2 ASP A 26 30.437 -19.193 26.649 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.442 -20.491 27.827 1.00 0.00 H new ATOM 358 N ASP A 27 30.325 -22.217 24.214 1.00 0.00 N ATOM 359 CA ASP A 27 30.704 -22.493 22.833 1.00 0.00 C ATOM 360 C ASP A 27 29.493 -22.929 22.015 1.00 0.00 C ATOM 361 O ASP A 27 29.274 -22.444 20.905 1.00 0.00 O ATOM 362 CB ASP A 27 31.785 -23.573 22.785 1.00 0.00 C ATOM 363 CG ASP A 27 33.104 -23.049 22.254 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.509 -21.941 22.662 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.732 -23.747 21.429 1.00 0.00 O ATOM 0 H ASP A 27 30.595 -22.943 24.878 1.00 0.00 H new ATOM 0 HA ASP A 27 31.101 -21.575 22.400 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.935 -23.978 23.786 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.445 -24.396 22.156 1.00 0.00 H new ATOM 370 N TRP A 28 28.711 -23.849 22.569 1.00 0.00 N ATOM 371 CA TRP A 28 27.523 -24.352 21.889 1.00 0.00 C ATOM 372 C TRP A 28 26.582 -23.210 21.522 1.00 0.00 C ATOM 373 O TRP A 28 26.224 -23.038 20.356 1.00 0.00 O ATOM 374 CB TRP A 28 26.795 -25.365 22.774 1.00 0.00 C ATOM 375 CG TRP A 28 25.387 -25.634 22.335 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.963 -25.904 21.065 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.220 -25.657 23.163 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.602 -26.093 21.055 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.123 -25.948 22.330 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.995 -25.462 24.529 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.823 -26.047 22.818 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.705 -25.561 25.012 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.632 -25.852 24.159 1.00 0.00 C ATOM 0 H TRP A 28 28.878 -24.262 23.487 1.00 0.00 H new ATOM 0 HA TRP A 28 27.841 -24.845 20.970 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.353 -26.302 22.776 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.784 -24.998 23.800 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.603 -25.961 20.197 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.039 -26.307 20.231 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.815 -25.238 25.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.995 -26.270 22.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.520 -25.412 26.065 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.635 -25.924 24.568 1.00 0.00 H new ATOM 394 N LEU A 29 26.183 -22.432 22.522 1.00 0.00 N ATOM 395 CA LEU A 29 25.282 -21.306 22.304 1.00 0.00 C ATOM 396 C LEU A 29 25.854 -20.345 21.266 1.00 0.00 C ATOM 397 O LEU A 29 25.114 -19.745 20.486 1.00 0.00 O ATOM 398 CB LEU A 29 25.032 -20.565 23.618 1.00 0.00 C ATOM 399 CG LEU A 29 24.209 -21.315 24.666 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.182 -20.544 25.976 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.795 -21.558 24.159 1.00 0.00 C ATOM 0 H LEU A 29 26.469 -22.560 23.492 1.00 0.00 H new ATOM 0 HA LEU A 29 24.336 -21.697 21.929 1.00 0.00 H new ATOM 0 HB2 LEU A 29 25.996 -20.310 24.057 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.526 -19.626 23.392 1.00 0.00 H new ATOM 0 HG LEU A 29 24.680 -22.281 24.847 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.592 -21.093 26.709 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.200 -20.422 26.347 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.735 -19.563 25.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.223 -22.093 24.918 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.314 -20.602 23.949 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.833 -22.153 23.247 1.00 0.00 H new ATOM 413 N SER A 30 27.176 -20.205 21.262 1.00 0.00 N ATOM 414 CA SER A 30 27.847 -19.316 20.321 1.00 0.00 C ATOM 415 C SER A 30 27.770 -19.869 18.901 1.00 0.00 C ATOM 416 O SER A 30 27.972 -19.143 17.928 1.00 0.00 O ATOM 417 CB SER A 30 29.310 -19.122 20.725 1.00 0.00 C ATOM 418 OG SER A 30 29.861 -17.971 20.109 1.00 0.00 O ATOM 0 H SER A 30 27.803 -20.696 21.900 1.00 0.00 H new ATOM 0 HA SER A 30 27.339 -18.352 20.345 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.382 -19.028 21.809 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.888 -20.002 20.442 1.00 0.00 H new ATOM 0 HG SER A 30 29.589 -17.942 19.168 1.00 0.00 H new ATOM 424 N ALA A 31 27.475 -21.160 18.791 1.00 0.00 N ATOM 425 CA ALA A 31 27.368 -21.812 17.491 1.00 0.00 C ATOM 426 C ALA A 31 25.948 -21.718 16.945 1.00 0.00 C ATOM 427 O ALA A 31 25.689 -22.081 15.797 1.00 0.00 O ATOM 428 CB ALA A 31 27.802 -23.267 17.593 1.00 0.00 C ATOM 0 H ALA A 31 27.306 -21.775 19.587 1.00 0.00 H new ATOM 0 HA ALA A 31 28.031 -21.295 16.797 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.717 -23.741 16.615 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.837 -23.315 17.931 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.163 -23.788 18.306 1.00 0.00 H new ATOM 434 N ILE A 32 25.031 -21.229 17.774 1.00 0.00 N ATOM 435 CA ILE A 32 23.637 -21.088 17.373 1.00 0.00 C ATOM 436 C ILE A 32 23.174 -19.640 17.496 1.00 0.00 C ATOM 437 O ILE A 32 21.982 -19.347 17.397 1.00 0.00 O ATOM 438 CB ILE A 32 22.714 -21.985 18.219 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.039 -21.829 19.706 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.850 -23.438 17.790 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.165 -22.673 20.607 1.00 0.00 C ATOM 0 H ILE A 32 25.229 -20.924 18.727 1.00 0.00 H new ATOM 0 HA ILE A 32 23.575 -21.399 16.330 1.00 0.00 H new ATOM 0 HB ILE A 32 21.682 -21.675 18.058 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.083 -22.096 19.872 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.930 -20.781 19.985 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.192 -24.060 18.397 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.574 -23.535 16.740 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.882 -23.762 17.925 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.451 -22.512 21.646 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.121 -22.390 20.470 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.292 -23.726 20.355 1.00 0.00 H new ATOM 453 N LYS A 33 24.124 -18.737 17.712 1.00 0.00 N ATOM 454 CA LYS A 33 23.815 -17.318 17.847 1.00 0.00 C ATOM 455 C LYS A 33 23.020 -17.053 19.121 1.00 0.00 C ATOM 456 O LYS A 33 22.468 -15.968 19.304 1.00 0.00 O ATOM 457 CB LYS A 33 23.027 -16.829 16.629 1.00 0.00 C ATOM 458 CG LYS A 33 23.573 -17.338 15.307 1.00 0.00 C ATOM 459 CD LYS A 33 23.754 -16.208 14.307 1.00 0.00 C ATOM 460 CE LYS A 33 23.569 -16.694 12.877 1.00 0.00 C ATOM 461 NZ LYS A 33 23.149 -15.593 11.967 1.00 0.00 N ATOM 0 H LYS A 33 25.115 -18.962 17.797 1.00 0.00 H new ATOM 0 HA LYS A 33 24.756 -16.771 17.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.988 -17.144 16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.030 -15.739 16.618 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.529 -17.834 15.474 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.894 -18.085 14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.037 -15.415 14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.749 -15.777 14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.502 -17.127 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.821 -17.487 12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.034 -15.965 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.245 -15.197 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.874 -14.848 11.966 1.00 0.00 H new ATOM 475 N MET A 34 22.967 -18.050 19.998 1.00 0.00 N ATOM 476 CA MET A 34 22.241 -17.922 21.257 1.00 0.00 C ATOM 477 C MET A 34 23.206 -17.752 22.426 1.00 0.00 C ATOM 478 O MET A 34 22.867 -18.052 23.571 1.00 0.00 O ATOM 479 CB MET A 34 21.354 -19.147 21.485 1.00 0.00 C ATOM 480 CG MET A 34 20.443 -19.466 20.311 1.00 0.00 C ATOM 481 SD MET A 34 19.374 -18.084 19.865 1.00 0.00 S ATOM 482 CE MET A 34 18.232 -18.080 21.246 1.00 0.00 C ATOM 0 H MET A 34 23.417 -18.955 19.861 1.00 0.00 H new ATOM 0 HA MET A 34 21.612 -17.034 21.197 1.00 0.00 H new ATOM 0 HB2 MET A 34 21.987 -20.011 21.688 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.744 -18.983 22.373 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.051 -19.743 19.449 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.828 -20.331 20.558 1.00 0.00 H new ATOM 0 HE1 MET A 34 18.005 -17.052 21.528 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.312 -18.589 20.959 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.683 -18.597 22.093 1.00 0.00 H new ATOM 492 N VAL A 35 24.409 -17.271 22.130 1.00 0.00 N ATOM 493 CA VAL A 35 25.422 -17.062 23.157 1.00 0.00 C ATOM 494 C VAL A 35 24.924 -16.104 24.233 1.00 0.00 C ATOM 495 O VAL A 35 25.435 -16.093 25.353 1.00 0.00 O ATOM 496 CB VAL A 35 26.726 -16.505 22.554 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.698 -14.985 22.533 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.931 -17.014 23.330 1.00 0.00 C ATOM 0 H VAL A 35 24.706 -17.019 21.187 1.00 0.00 H new ATOM 0 HA VAL A 35 25.624 -18.035 23.605 1.00 0.00 H new ATOM 0 HB VAL A 35 26.810 -16.857 21.526 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.627 -14.610 22.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.856 -14.645 21.930 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.590 -14.609 23.550 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.843 -16.611 22.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.856 -16.694 24.369 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.958 -18.103 23.287 1.00 0.00 H new ATOM 508 N GLN A 36 23.923 -15.302 23.886 1.00 0.00 N ATOM 509 CA GLN A 36 23.355 -14.340 24.824 1.00 0.00 C ATOM 510 C GLN A 36 22.892 -15.032 26.101 1.00 0.00 C ATOM 511 O GLN A 36 22.824 -14.415 27.164 1.00 0.00 O ATOM 512 CB GLN A 36 22.184 -13.597 24.178 1.00 0.00 C ATOM 513 CG GLN A 36 21.000 -14.493 23.853 1.00 0.00 C ATOM 514 CD GLN A 36 19.839 -13.729 23.247 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.415 -12.701 23.774 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.318 -14.230 22.133 1.00 0.00 N ATOM 0 H GLN A 36 23.489 -15.299 22.963 1.00 0.00 H new ATOM 0 HA GLN A 36 24.133 -13.622 25.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.855 -12.803 24.848 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.529 -13.119 23.262 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.318 -15.272 23.160 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.666 -14.992 24.763 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.701 -15.085 21.730 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.535 -13.760 21.680 1.00 0.00 H new ATOM 525 N TYR A 37 22.573 -16.317 25.988 1.00 0.00 N ATOM 526 CA TYR A 37 22.113 -17.093 27.134 1.00 0.00 C ATOM 527 C TYR A 37 23.244 -17.940 27.708 1.00 0.00 C ATOM 528 O TYR A 37 23.008 -18.991 28.303 1.00 0.00 O ATOM 529 CB TYR A 37 20.943 -17.992 26.730 1.00 0.00 C ATOM 530 CG TYR A 37 19.733 -17.228 26.242 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.080 -16.320 27.067 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.241 -17.414 24.956 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.974 -15.620 26.626 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.137 -16.718 24.505 1.00 0.00 C ATOM 535 CZ TYR A 37 17.506 -15.822 25.344 1.00 0.00 C ATOM 536 OH TYR A 37 16.405 -15.128 24.899 1.00 0.00 O ATOM 0 H TYR A 37 22.624 -16.843 25.115 1.00 0.00 H new ATOM 0 HA TYR A 37 21.780 -16.396 27.903 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.273 -18.673 25.945 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.655 -18.605 27.584 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.444 -16.159 28.071 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.731 -18.116 24.297 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.478 -14.919 27.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.769 -16.874 23.502 1.00 0.00 H new ATOM 0 HH TYR A 37 16.217 -15.374 23.969 1.00 0.00 H new ATOM 546 N ARG A 38 24.475 -17.473 27.526 1.00 0.00 N ATOM 547 CA ARG A 38 25.645 -18.186 28.024 1.00 0.00 C ATOM 548 C ARG A 38 25.734 -18.089 29.545 1.00 0.00 C ATOM 549 O ARG A 38 26.321 -18.950 30.199 1.00 0.00 O ATOM 550 CB ARG A 38 26.919 -17.625 27.391 1.00 0.00 C ATOM 551 CG ARG A 38 27.224 -16.193 27.801 1.00 0.00 C ATOM 552 CD ARG A 38 28.655 -15.809 27.461 1.00 0.00 C ATOM 553 NE ARG A 38 28.772 -15.281 26.104 1.00 0.00 N ATOM 554 CZ ARG A 38 29.882 -14.731 25.623 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.963 -14.637 26.384 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.911 -14.274 24.378 1.00 0.00 N ATOM 0 H ARG A 38 24.688 -16.603 27.037 1.00 0.00 H new ATOM 0 HA ARG A 38 25.544 -19.236 27.749 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.761 -18.260 27.666 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.826 -17.671 26.306 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.535 -15.515 27.298 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.060 -16.077 28.872 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.009 -15.063 28.172 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.300 -16.682 27.567 1.00 0.00 H new ATOM 0 HE ARG A 38 27.958 -15.338 25.493 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.944 -14.987 27.342 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.813 -14.214 26.012 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.081 -14.345 23.789 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.763 -13.852 24.009 1.00 0.00 H new ATOM 570 N ASP A 39 25.148 -17.034 30.100 1.00 0.00 N ATOM 571 CA ASP A 39 25.160 -16.823 31.543 1.00 0.00 C ATOM 572 C ASP A 39 23.954 -17.488 32.199 1.00 0.00 C ATOM 573 O ASP A 39 24.011 -17.891 33.361 1.00 0.00 O ATOM 574 CB ASP A 39 25.169 -15.327 31.861 1.00 0.00 C ATOM 575 CG ASP A 39 26.566 -14.800 32.123 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.214 -15.283 33.076 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.012 -13.905 31.375 1.00 0.00 O ATOM 0 H ASP A 39 24.658 -16.311 29.572 1.00 0.00 H new ATOM 0 HA ASP A 39 26.066 -17.277 31.945 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.727 -14.779 31.029 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.544 -15.140 32.734 1.00 0.00 H new ATOM 582 N SER A 40 22.863 -17.599 31.447 1.00 0.00 N ATOM 583 CA SER A 40 21.642 -18.210 31.957 1.00 0.00 C ATOM 584 C SER A 40 21.879 -19.672 32.326 1.00 0.00 C ATOM 585 O SER A 40 21.433 -20.140 33.373 1.00 0.00 O ATOM 586 CB SER A 40 20.524 -18.110 30.918 1.00 0.00 C ATOM 587 OG SER A 40 19.257 -17.992 31.542 1.00 0.00 O ATOM 0 H SER A 40 22.800 -17.273 30.482 1.00 0.00 H new ATOM 0 HA SER A 40 21.343 -17.670 32.855 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.698 -17.248 30.274 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.537 -18.993 30.279 1.00 0.00 H new ATOM 0 HG SER A 40 18.580 -17.769 30.869 1.00 0.00 H new ATOM 593 N PHE A 41 22.586 -20.387 31.457 1.00 0.00 N ATOM 594 CA PHE A 41 22.883 -21.796 31.689 1.00 0.00 C ATOM 595 C PHE A 41 23.979 -21.955 32.738 1.00 0.00 C ATOM 596 O PHE A 41 23.898 -22.820 33.612 1.00 0.00 O ATOM 597 CB PHE A 41 23.308 -22.471 30.384 1.00 0.00 C ATOM 598 CG PHE A 41 22.165 -22.741 29.448 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.225 -23.715 29.745 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.030 -22.021 28.272 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.172 -23.966 28.885 1.00 0.00 C ATOM 602 CE2 PHE A 41 20.979 -22.268 27.409 1.00 0.00 C ATOM 603 CZ PHE A 41 20.048 -23.241 27.716 1.00 0.00 C ATOM 0 H PHE A 41 22.964 -20.014 30.586 1.00 0.00 H new ATOM 0 HA PHE A 41 21.977 -22.276 32.060 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.039 -21.839 29.879 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.806 -23.412 30.617 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.316 -24.284 30.658 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.754 -21.258 28.027 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.447 -24.729 29.127 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.886 -21.700 26.495 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.225 -23.434 27.044 1.00 0.00 H new ATOM 613 N LEU A 42 25.004 -21.115 32.646 1.00 0.00 N ATOM 614 CA LEU A 42 26.119 -21.162 33.586 1.00 0.00 C ATOM 615 C LEU A 42 25.628 -20.992 35.021 1.00 0.00 C ATOM 616 O LEU A 42 25.794 -21.883 35.855 1.00 0.00 O ATOM 617 CB LEU A 42 27.139 -20.072 33.252 1.00 0.00 C ATOM 618 CG LEU A 42 28.199 -20.441 32.213 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.835 -19.188 31.631 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.259 -21.342 32.830 1.00 0.00 C ATOM 0 H LEU A 42 25.086 -20.393 31.930 1.00 0.00 H new ATOM 0 HA LEU A 42 26.597 -22.138 33.497 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.600 -19.194 32.896 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.646 -19.783 34.172 1.00 0.00 H new ATOM 0 HG LEU A 42 27.713 -20.986 31.404 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.587 -19.470 30.894 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.068 -18.579 31.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.307 -18.615 32.429 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.005 -21.595 32.077 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.741 -20.822 33.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.791 -22.255 33.198 1.00 0.00 H new ATOM 632 N THR A 43 25.021 -19.843 35.301 1.00 0.00 N ATOM 633 CA THR A 43 24.506 -19.557 36.634 1.00 0.00 C ATOM 634 C THR A 43 23.499 -20.614 37.073 1.00 0.00 C ATOM 635 O THR A 43 23.375 -20.911 38.261 1.00 0.00 O ATOM 636 CB THR A 43 23.835 -18.171 36.692 1.00 0.00 C ATOM 637 OG1 THR A 43 23.532 -17.830 38.049 1.00 0.00 O ATOM 638 CG2 THR A 43 22.561 -18.152 35.861 1.00 0.00 C ATOM 0 H THR A 43 24.874 -19.096 34.623 1.00 0.00 H new ATOM 0 HA THR A 43 25.360 -19.568 37.311 1.00 0.00 H new ATOM 0 HB THR A 43 24.529 -17.438 36.281 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.107 -16.947 38.077 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.105 -17.164 35.917 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.800 -18.383 34.823 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.864 -18.896 36.247 1.00 0.00 H new ATOM 646 N ALA A 44 22.783 -21.180 36.107 1.00 0.00 N ATOM 647 CA ALA A 44 21.789 -22.207 36.394 1.00 0.00 C ATOM 648 C ALA A 44 22.450 -23.483 36.904 1.00 0.00 C ATOM 649 O ALA A 44 21.806 -24.314 37.543 1.00 0.00 O ATOM 650 CB ALA A 44 20.959 -22.499 35.153 1.00 0.00 C ATOM 0 H ALA A 44 22.873 -20.945 35.119 1.00 0.00 H new ATOM 0 HA ALA A 44 21.131 -21.832 37.178 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.221 -23.268 35.382 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.449 -21.590 34.834 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.611 -22.849 34.353 1.00 0.00 H new ATOM 656 N GLY A 45 23.739 -23.633 36.615 1.00 0.00 N ATOM 657 CA GLY A 45 24.465 -24.811 37.052 1.00 0.00 C ATOM 658 C GLY A 45 24.790 -25.749 35.906 1.00 0.00 C ATOM 659 O GLY A 45 25.119 -26.915 36.123 1.00 0.00 O ATOM 0 H GLY A 45 24.293 -22.960 36.086 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.390 -24.504 37.540 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.873 -25.343 37.797 1.00 0.00 H new ATOM 663 N PHE A 46 24.697 -25.240 34.682 1.00 0.00 N ATOM 664 CA PHE A 46 24.981 -26.040 33.497 1.00 0.00 C ATOM 665 C PHE A 46 26.231 -25.532 32.784 1.00 0.00 C ATOM 666 O PHE A 46 26.146 -24.899 31.731 1.00 0.00 O ATOM 667 CB PHE A 46 23.788 -26.014 32.539 1.00 0.00 C ATOM 668 CG PHE A 46 22.470 -26.258 33.217 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.157 -27.510 33.722 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.545 -25.236 33.349 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.945 -27.737 34.345 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.330 -25.457 33.971 1.00 0.00 C ATOM 673 CZ PHE A 46 20.031 -26.709 34.471 1.00 0.00 C ATOM 0 H PHE A 46 24.427 -24.276 34.485 1.00 0.00 H new ATOM 0 HA PHE A 46 25.158 -27.067 33.817 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.756 -25.047 32.037 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.936 -26.769 31.767 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.868 -28.317 33.627 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.775 -24.255 32.961 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.712 -28.718 34.733 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.616 -24.652 34.066 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.084 -26.884 34.960 1.00 0.00 H new ATOM 683 N THR A 47 27.393 -25.814 33.367 1.00 0.00 N ATOM 684 CA THR A 47 28.661 -25.385 32.790 1.00 0.00 C ATOM 685 C THR A 47 29.076 -26.293 31.638 1.00 0.00 C ATOM 686 O THR A 47 29.794 -25.872 30.731 1.00 0.00 O ATOM 687 CB THR A 47 29.782 -25.369 33.846 1.00 0.00 C ATOM 688 OG1 THR A 47 30.063 -26.703 34.282 1.00 0.00 O ATOM 689 CG2 THR A 47 29.388 -24.512 35.040 1.00 0.00 C ATOM 0 H THR A 47 27.481 -26.337 34.238 1.00 0.00 H new ATOM 0 HA THR A 47 28.511 -24.373 32.415 1.00 0.00 H new ATOM 0 HB THR A 47 30.675 -24.941 33.390 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.778 -26.684 34.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.195 -24.516 35.773 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.203 -23.490 34.709 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.483 -24.916 35.495 1.00 0.00 H new ATOM 697 N SER A 48 28.620 -27.540 31.680 1.00 0.00 N ATOM 698 CA SER A 48 28.947 -28.509 30.640 1.00 0.00 C ATOM 699 C SER A 48 27.697 -28.919 29.867 1.00 0.00 C ATOM 700 O SER A 48 26.591 -28.927 30.410 1.00 0.00 O ATOM 701 CB SER A 48 29.608 -29.744 31.255 1.00 0.00 C ATOM 702 OG SER A 48 30.919 -29.450 31.706 1.00 0.00 O ATOM 0 H SER A 48 28.023 -27.904 32.423 1.00 0.00 H new ATOM 0 HA SER A 48 29.644 -28.040 29.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.006 -30.105 32.089 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.645 -30.546 30.517 1.00 0.00 H new ATOM 0 HG SER A 48 31.319 -30.255 32.096 1.00 0.00 H new ATOM 708 N LEU A 49 27.881 -29.259 28.596 1.00 0.00 N ATOM 709 CA LEU A 49 26.769 -29.671 27.746 1.00 0.00 C ATOM 710 C LEU A 49 26.181 -30.996 28.222 1.00 0.00 C ATOM 711 O LEU A 49 25.003 -31.276 28.003 1.00 0.00 O ATOM 712 CB LEU A 49 27.231 -29.798 26.294 1.00 0.00 C ATOM 713 CG LEU A 49 27.322 -28.493 25.502 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.970 -27.798 25.460 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.377 -27.576 26.104 1.00 0.00 C ATOM 0 H LEU A 49 28.789 -29.258 28.131 1.00 0.00 H new ATOM 0 HA LEU A 49 25.994 -28.907 27.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.212 -30.274 26.286 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.547 -30.469 25.773 1.00 0.00 H new ATOM 0 HG LEU A 49 27.617 -28.731 24.480 1.00 0.00 H new ATOM 0 HD11 LEU A 49 26.055 -26.871 24.892 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.240 -28.451 24.982 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.645 -27.573 26.476 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.428 -26.652 25.528 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.113 -27.346 27.136 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.347 -28.072 26.080 1.00 0.00 H new ATOM 727 N GLN A 50 27.009 -31.804 28.875 1.00 0.00 N ATOM 728 CA GLN A 50 26.570 -33.098 29.383 1.00 0.00 C ATOM 729 C GLN A 50 25.360 -32.942 30.297 1.00 0.00 C ATOM 730 O GLN A 50 24.558 -33.865 30.447 1.00 0.00 O ATOM 731 CB GLN A 50 27.709 -33.786 30.139 1.00 0.00 C ATOM 732 CG GLN A 50 28.025 -33.144 31.480 1.00 0.00 C ATOM 733 CD GLN A 50 29.383 -33.552 32.017 1.00 0.00 C ATOM 734 OE1 GLN A 50 29.988 -34.513 31.542 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.869 -32.821 33.013 1.00 0.00 N ATOM 0 H GLN A 50 27.987 -31.586 29.065 1.00 0.00 H new ATOM 0 HA GLN A 50 26.283 -33.715 28.532 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.448 -34.832 30.299 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.605 -33.773 29.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.990 -32.059 31.376 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.256 -33.420 32.201 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.333 -32.033 33.376 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.778 -33.048 33.415 1.00 0.00 H new ATOM 744 N LEU A 51 25.232 -31.769 30.907 1.00 0.00 N ATOM 745 CA LEU A 51 24.119 -31.491 31.807 1.00 0.00 C ATOM 746 C LEU A 51 22.954 -30.857 31.054 1.00 0.00 C ATOM 747 O LEU A 51 21.799 -30.974 31.462 1.00 0.00 O ATOM 748 CB LEU A 51 24.571 -30.568 32.940 1.00 0.00 C ATOM 749 CG LEU A 51 25.667 -31.116 33.855 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.100 -30.060 34.861 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.188 -32.371 34.569 1.00 0.00 C ATOM 0 H LEU A 51 25.886 -30.994 30.794 1.00 0.00 H new ATOM 0 HA LEU A 51 23.782 -32.437 32.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.924 -29.634 32.502 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.702 -30.325 33.552 1.00 0.00 H new ATOM 0 HG LEU A 51 26.529 -31.378 33.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.880 -30.468 35.504 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.485 -29.189 34.331 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.245 -29.766 35.470 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.981 -32.747 35.216 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.310 -32.135 35.171 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.929 -33.132 33.833 1.00 0.00 H new ATOM 763 N VAL A 52 23.266 -30.185 29.950 1.00 0.00 N ATOM 764 CA VAL A 52 22.246 -29.535 29.136 1.00 0.00 C ATOM 765 C VAL A 52 21.557 -30.536 28.215 1.00 0.00 C ATOM 766 O VAL A 52 20.401 -30.351 27.832 1.00 0.00 O ATOM 767 CB VAL A 52 22.845 -28.399 28.286 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.771 -27.755 27.422 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.517 -27.365 29.176 1.00 0.00 C ATOM 0 H VAL A 52 24.218 -30.077 29.599 1.00 0.00 H new ATOM 0 HA VAL A 52 21.513 -29.115 29.824 1.00 0.00 H new ATOM 0 HB VAL A 52 23.602 -28.823 27.626 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.213 -26.955 26.829 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.341 -28.504 26.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.989 -27.344 28.060 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.935 -26.570 28.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.783 -26.944 29.863 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.316 -27.839 29.746 1.00 0.00 H new ATOM 779 N THR A 53 22.274 -31.598 27.862 1.00 0.00 N ATOM 780 CA THR A 53 21.733 -32.629 26.985 1.00 0.00 C ATOM 781 C THR A 53 20.540 -33.326 27.628 1.00 0.00 C ATOM 782 O THR A 53 19.682 -33.872 26.934 1.00 0.00 O ATOM 783 CB THR A 53 22.800 -33.682 26.632 1.00 0.00 C ATOM 784 OG1 THR A 53 23.412 -34.180 27.827 1.00 0.00 O ATOM 785 CG2 THR A 53 23.864 -33.090 25.720 1.00 0.00 C ATOM 0 H THR A 53 23.232 -31.767 28.170 1.00 0.00 H new ATOM 0 HA THR A 53 21.410 -32.130 26.071 1.00 0.00 H new ATOM 0 HB THR A 53 22.309 -34.502 26.107 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.088 -34.850 27.594 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.607 -33.852 25.484 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.399 -32.739 24.799 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.350 -32.254 26.223 1.00 0.00 H new ATOM 793 N GLN A 54 20.491 -33.303 28.956 1.00 0.00 N ATOM 794 CA GLN A 54 19.401 -33.934 29.691 1.00 0.00 C ATOM 795 C GLN A 54 18.393 -32.894 30.169 1.00 0.00 C ATOM 796 O GLN A 54 17.693 -33.103 31.159 1.00 0.00 O ATOM 797 CB GLN A 54 19.949 -34.716 30.886 1.00 0.00 C ATOM 798 CG GLN A 54 21.163 -35.567 30.550 1.00 0.00 C ATOM 799 CD GLN A 54 21.554 -36.498 31.681 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.742 -36.811 32.552 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.804 -36.947 31.674 1.00 0.00 N ATOM 0 H GLN A 54 21.193 -32.855 29.545 1.00 0.00 H new ATOM 0 HA GLN A 54 18.893 -34.623 29.016 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.215 -34.015 31.678 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.162 -35.359 31.280 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.954 -36.155 29.656 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.004 -34.916 30.313 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.444 -36.662 30.933 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.124 -37.577 32.410 1.00 0.00 H new ATOM 810 N MET A 55 18.325 -31.773 29.458 1.00 0.00 N ATOM 811 CA MET A 55 17.401 -30.701 29.809 1.00 0.00 C ATOM 812 C MET A 55 16.191 -30.699 28.880 1.00 0.00 C ATOM 813 O MET A 55 16.052 -31.572 28.022 1.00 0.00 O ATOM 814 CB MET A 55 18.110 -29.346 29.745 1.00 0.00 C ATOM 815 CG MET A 55 19.132 -29.143 30.852 1.00 0.00 C ATOM 816 SD MET A 55 18.376 -29.044 32.486 1.00 0.00 S ATOM 817 CE MET A 55 19.129 -30.455 33.293 1.00 0.00 C ATOM 0 H MET A 55 18.898 -31.584 28.636 1.00 0.00 H new ATOM 0 HA MET A 55 17.054 -30.874 30.828 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.608 -29.251 28.780 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.365 -28.552 29.799 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.847 -29.965 30.836 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.693 -28.229 30.660 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.747 -30.539 34.310 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.888 -31.362 32.739 1.00 0.00 H new ATOM 0 HE3 MET A 55 20.211 -30.323 33.322 1.00 0.00 H new ATOM 827 N THR A 56 15.317 -29.713 29.055 1.00 0.00 N ATOM 828 CA THR A 56 14.119 -29.598 28.234 1.00 0.00 C ATOM 829 C THR A 56 13.672 -28.146 28.112 1.00 0.00 C ATOM 830 O THR A 56 14.232 -27.258 28.755 1.00 0.00 O ATOM 831 CB THR A 56 12.960 -30.433 28.811 1.00 0.00 C ATOM 832 OG1 THR A 56 11.875 -30.477 27.878 1.00 0.00 O ATOM 833 CG2 THR A 56 12.477 -29.849 30.130 1.00 0.00 C ATOM 0 H THR A 56 15.417 -28.982 29.759 1.00 0.00 H new ATOM 0 HA THR A 56 14.376 -29.980 27.246 1.00 0.00 H new ATOM 0 HB THR A 56 13.325 -31.444 28.991 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.143 -31.011 28.252 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.659 -30.455 30.518 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.297 -29.844 30.848 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.129 -28.829 29.970 1.00 0.00 H new ATOM 841 N SER A 57 12.660 -27.911 27.283 1.00 0.00 N ATOM 842 CA SER A 57 12.140 -26.564 27.075 1.00 0.00 C ATOM 843 C SER A 57 11.811 -25.897 28.407 1.00 0.00 C ATOM 844 O SER A 57 11.959 -24.684 28.558 1.00 0.00 O ATOM 845 CB SER A 57 10.891 -26.608 26.192 1.00 0.00 C ATOM 846 OG SER A 57 10.502 -27.944 25.925 1.00 0.00 O ATOM 0 H SER A 57 12.184 -28.635 26.745 1.00 0.00 H new ATOM 0 HA SER A 57 12.910 -25.977 26.575 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.075 -26.080 26.685 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.087 -26.088 25.254 1.00 0.00 H new ATOM 0 HG SER A 57 9.701 -27.945 25.361 1.00 0.00 H new ATOM 852 N GLU A 58 11.365 -26.698 29.369 1.00 0.00 N ATOM 853 CA GLU A 58 11.015 -26.185 30.689 1.00 0.00 C ATOM 854 C GLU A 58 12.229 -25.558 31.368 1.00 0.00 C ATOM 855 O GLU A 58 12.130 -24.494 31.981 1.00 0.00 O ATOM 856 CB GLU A 58 10.449 -27.306 31.563 1.00 0.00 C ATOM 857 CG GLU A 58 9.124 -27.857 31.064 1.00 0.00 C ATOM 858 CD GLU A 58 8.215 -28.303 32.193 1.00 0.00 C ATOM 859 OE1 GLU A 58 7.532 -27.438 32.780 1.00 0.00 O ATOM 860 OE2 GLU A 58 8.187 -29.516 32.489 1.00 0.00 O ATOM 0 H GLU A 58 11.237 -27.704 29.260 1.00 0.00 H new ATOM 0 HA GLU A 58 10.254 -25.415 30.562 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.175 -28.118 31.613 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.318 -26.932 32.579 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.617 -27.094 30.474 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.313 -28.700 30.400 1.00 0.00 H new ATOM 867 N ASP A 59 13.372 -26.225 31.256 1.00 0.00 N ATOM 868 CA ASP A 59 14.606 -25.734 31.859 1.00 0.00 C ATOM 869 C ASP A 59 14.957 -24.349 31.327 1.00 0.00 C ATOM 870 O ASP A 59 15.481 -23.506 32.056 1.00 0.00 O ATOM 871 CB ASP A 59 15.754 -26.706 31.584 1.00 0.00 C ATOM 872 CG ASP A 59 17.114 -26.073 31.806 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.458 -25.801 32.976 1.00 0.00 O ATOM 874 OD2 ASP A 59 17.834 -25.851 30.811 1.00 0.00 O ATOM 0 H ASP A 59 13.470 -27.107 30.753 1.00 0.00 H new ATOM 0 HA ASP A 59 14.452 -25.661 32.936 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.652 -27.577 32.231 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.686 -27.063 30.556 1.00 0.00 H new ATOM 879 N LEU A 60 14.666 -24.119 30.051 1.00 0.00 N ATOM 880 CA LEU A 60 14.952 -22.836 29.420 1.00 0.00 C ATOM 881 C LEU A 60 14.180 -21.710 30.101 1.00 0.00 C ATOM 882 O LEU A 60 14.714 -20.622 30.324 1.00 0.00 O ATOM 883 CB LEU A 60 14.596 -22.886 27.933 1.00 0.00 C ATOM 884 CG LEU A 60 15.017 -24.151 27.184 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.681 -24.033 25.706 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.504 -24.414 27.376 1.00 0.00 C ATOM 0 H LEU A 60 14.232 -24.805 29.433 1.00 0.00 H new ATOM 0 HA LEU A 60 16.018 -22.637 29.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.516 -22.772 27.834 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.054 -22.028 27.441 1.00 0.00 H new ATOM 0 HG LEU A 60 14.463 -24.995 27.595 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.988 -24.942 25.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.607 -23.893 25.587 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.207 -23.179 25.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.786 -25.318 26.836 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.075 -23.569 26.992 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.716 -24.544 28.437 1.00 0.00 H new ATOM 898 N LEU A 61 12.922 -21.978 30.432 1.00 0.00 N ATOM 899 CA LEU A 61 12.076 -20.989 31.091 1.00 0.00 C ATOM 900 C LEU A 61 12.466 -20.830 32.557 1.00 0.00 C ATOM 901 O LEU A 61 12.136 -19.828 33.192 1.00 0.00 O ATOM 902 CB LEU A 61 10.605 -21.394 30.984 1.00 0.00 C ATOM 903 CG LEU A 61 9.819 -20.768 29.831 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.240 -21.848 28.931 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.715 -19.867 30.365 1.00 0.00 C ATOM 0 H LEU A 61 12.465 -22.872 30.255 1.00 0.00 H new ATOM 0 HA LEU A 61 12.220 -20.032 30.589 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.554 -22.478 30.886 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.108 -21.135 31.919 1.00 0.00 H new ATOM 0 HG LEU A 61 10.503 -20.159 29.239 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.684 -21.383 28.116 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.049 -22.452 28.520 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.571 -22.484 29.510 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.166 -19.430 29.531 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.033 -20.453 30.981 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.154 -19.071 30.967 1.00 0.00 H new ATOM 917 N ARG A 62 13.170 -21.824 33.088 1.00 0.00 N ATOM 918 CA ARG A 62 13.605 -21.794 34.480 1.00 0.00 C ATOM 919 C ARG A 62 14.780 -20.837 34.661 1.00 0.00 C ATOM 920 O ARG A 62 14.855 -20.111 35.653 1.00 0.00 O ATOM 921 CB ARG A 62 14.000 -23.197 34.943 1.00 0.00 C ATOM 922 CG ARG A 62 12.832 -24.166 35.016 1.00 0.00 C ATOM 923 CD ARG A 62 12.326 -24.323 36.441 1.00 0.00 C ATOM 924 NE ARG A 62 11.372 -23.277 36.802 1.00 0.00 N ATOM 925 CZ ARG A 62 10.524 -23.376 37.819 1.00 0.00 C ATOM 926 NH1 ARG A 62 10.511 -24.466 38.573 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.686 -22.381 38.084 1.00 0.00 N ATOM 0 H ARG A 62 13.451 -22.660 32.576 1.00 0.00 H new ATOM 0 HA ARG A 62 12.773 -21.439 35.088 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.751 -23.597 34.262 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.466 -23.128 35.926 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.023 -23.810 34.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.139 -25.138 34.629 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.853 -25.299 36.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.170 -24.297 37.130 1.00 0.00 H new ATOM 0 HE ARG A 62 11.357 -22.424 36.242 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.154 -25.232 38.373 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.858 -24.539 39.353 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.693 -21.540 37.506 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.035 -22.457 38.865 1.00 0.00 H new ATOM 941 N ILE A 63 15.695 -20.842 33.697 1.00 0.00 N ATOM 942 CA ILE A 63 16.865 -19.975 33.751 1.00 0.00 C ATOM 943 C ILE A 63 16.516 -18.554 33.319 1.00 0.00 C ATOM 944 O ILE A 63 17.143 -17.590 33.756 1.00 0.00 O ATOM 945 CB ILE A 63 18.001 -20.506 32.858 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.577 -20.484 31.388 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.393 -21.914 33.281 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.674 -20.906 30.435 1.00 0.00 C ATOM 0 H ILE A 63 15.648 -21.437 32.870 1.00 0.00 H new ATOM 0 HA ILE A 63 17.203 -19.965 34.787 1.00 0.00 H new ATOM 0 HB ILE A 63 18.869 -19.857 32.976 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.719 -21.143 31.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.249 -19.478 31.128 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.197 -22.276 32.640 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.732 -21.902 34.317 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.531 -22.575 33.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.302 -20.866 29.411 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.525 -20.232 30.538 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.987 -21.924 30.668 1.00 0.00 H new ATOM 960 N GLY A 64 15.510 -18.433 32.459 1.00 0.00 N ATOM 961 CA GLY A 64 15.093 -17.126 31.984 1.00 0.00 C ATOM 962 C GLY A 64 14.578 -17.165 30.559 1.00 0.00 C ATOM 963 O GLY A 64 13.631 -16.456 30.215 1.00 0.00 O ATOM 0 H GLY A 64 14.976 -19.216 32.082 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.313 -16.737 32.638 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.934 -16.435 32.044 1.00 0.00 H new ATOM 967 N ILE A 65 15.202 -17.993 29.728 1.00 0.00 N ATOM 968 CA ILE A 65 14.800 -18.120 28.333 1.00 0.00 C ATOM 969 C ILE A 65 13.303 -18.383 28.213 1.00 0.00 C ATOM 970 O ILE A 65 12.836 -19.499 28.443 1.00 0.00 O ATOM 971 CB ILE A 65 15.567 -19.254 27.627 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.074 -19.000 27.697 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.112 -19.381 26.181 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.908 -20.228 27.404 1.00 0.00 C ATOM 0 H ILE A 65 15.988 -18.586 29.997 1.00 0.00 H new ATOM 0 HA ILE A 65 15.040 -17.173 27.849 1.00 0.00 H new ATOM 0 HB ILE A 65 15.352 -20.192 28.139 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.335 -18.215 26.987 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.326 -18.628 28.690 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.663 -20.186 25.696 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.045 -19.603 26.153 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.301 -18.444 25.656 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.966 -19.974 27.471 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.675 -21.008 28.129 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.685 -20.588 26.400 1.00 0.00 H new ATOM 986 N THR A 66 12.553 -17.347 27.850 1.00 0.00 N ATOM 987 CA THR A 66 11.108 -17.465 27.699 1.00 0.00 C ATOM 988 C THR A 66 10.667 -17.063 26.296 1.00 0.00 C ATOM 989 O THR A 66 9.555 -16.570 26.101 1.00 0.00 O ATOM 990 CB THR A 66 10.362 -16.595 28.728 1.00 0.00 C ATOM 991 OG1 THR A 66 10.777 -15.229 28.607 1.00 0.00 O ATOM 992 CG2 THR A 66 10.625 -17.086 30.143 1.00 0.00 C ATOM 0 H THR A 66 12.923 -16.417 27.655 1.00 0.00 H new ATOM 0 HA THR A 66 10.857 -18.512 27.870 1.00 0.00 H new ATOM 0 HB THR A 66 9.293 -16.669 28.527 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.297 -14.682 29.263 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.088 -16.456 30.852 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.282 -18.116 30.240 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.694 -17.038 30.352 1.00 0.00 H new ATOM 1000 N LEU A 67 11.544 -17.276 25.321 1.00 0.00 N ATOM 1001 CA LEU A 67 11.245 -16.936 23.935 1.00 0.00 C ATOM 1002 C LEU A 67 10.963 -18.191 23.115 1.00 0.00 C ATOM 1003 O LEU A 67 11.872 -18.964 22.812 1.00 0.00 O ATOM 1004 CB LEU A 67 12.410 -16.161 23.316 1.00 0.00 C ATOM 1005 CG LEU A 67 12.317 -14.636 23.393 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.513 -14.065 24.139 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.221 -14.037 21.998 1.00 0.00 C ATOM 0 H LEU A 67 12.468 -17.683 25.465 1.00 0.00 H new ATOM 0 HA LEU A 67 10.353 -16.309 23.925 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.331 -16.474 23.808 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.495 -16.448 22.268 1.00 0.00 H new ATOM 0 HG LEU A 67 11.413 -14.374 23.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.429 -12.979 24.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.537 -14.469 25.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.431 -14.337 23.618 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.156 -12.951 22.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.107 -14.309 21.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.332 -14.421 21.498 1.00 0.00 H new ATOM 1019 N ALA A 68 9.698 -18.387 22.758 1.00 0.00 N ATOM 1020 CA ALA A 68 9.297 -19.545 21.969 1.00 0.00 C ATOM 1021 C ALA A 68 10.124 -19.653 20.693 1.00 0.00 C ATOM 1022 O ALA A 68 10.546 -20.742 20.305 1.00 0.00 O ATOM 1023 CB ALA A 68 7.815 -19.469 21.636 1.00 0.00 C ATOM 0 H ALA A 68 8.933 -17.758 23.003 1.00 0.00 H new ATOM 0 HA ALA A 68 9.478 -20.440 22.564 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.529 -20.340 21.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.235 -19.449 22.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.617 -18.563 21.064 1.00 0.00 H new ATOM 1029 N GLY A 69 10.351 -18.516 20.042 1.00 0.00 N ATOM 1030 CA GLY A 69 11.125 -18.506 18.814 1.00 0.00 C ATOM 1031 C GLY A 69 12.585 -18.840 19.047 1.00 0.00 C ATOM 1032 O GLY A 69 13.297 -19.225 18.119 1.00 0.00 O ATOM 0 H GLY A 69 10.013 -17.602 20.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.698 -19.224 18.113 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.050 -17.523 18.349 1.00 0.00 H new ATOM 1036 N HIS A 70 13.034 -18.692 20.290 1.00 0.00 N ATOM 1037 CA HIS A 70 14.419 -18.981 20.642 1.00 0.00 C ATOM 1038 C HIS A 70 14.578 -20.434 21.079 1.00 0.00 C ATOM 1039 O HIS A 70 15.512 -21.118 20.662 1.00 0.00 O ATOM 1040 CB HIS A 70 14.889 -18.046 21.757 1.00 0.00 C ATOM 1041 CG HIS A 70 15.207 -16.661 21.284 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.635 -15.658 22.127 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.158 -16.115 20.047 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.834 -14.554 21.429 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.552 -14.805 20.164 1.00 0.00 N ATOM 0 H HIS A 70 12.458 -18.374 21.070 1.00 0.00 H new ATOM 0 HA HIS A 70 15.034 -18.818 19.757 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.116 -17.991 22.523 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.775 -18.472 22.228 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.864 -16.616 19.137 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.170 -13.607 21.826 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.616 -14.135 19.398 1.00 0.00 H new ATOM 1053 N GLN A 71 13.660 -20.897 21.921 1.00 0.00 N ATOM 1054 CA GLN A 71 13.699 -22.268 22.415 1.00 0.00 C ATOM 1055 C GLN A 71 13.669 -23.264 21.260 1.00 0.00 C ATOM 1056 O GLN A 71 14.288 -24.327 21.325 1.00 0.00 O ATOM 1057 CB GLN A 71 12.523 -22.528 23.358 1.00 0.00 C ATOM 1058 CG GLN A 71 12.476 -21.581 24.546 1.00 0.00 C ATOM 1059 CD GLN A 71 11.080 -21.428 25.116 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.094 -21.814 24.486 1.00 0.00 O ATOM 1061 NE2 GLN A 71 10.987 -20.862 26.313 1.00 0.00 N ATOM 0 H GLN A 71 12.880 -20.343 22.275 1.00 0.00 H new ATOM 0 HA GLN A 71 14.631 -22.402 22.963 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.592 -22.441 22.797 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.581 -23.553 23.723 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.144 -21.948 25.325 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.849 -20.603 24.241 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.830 -20.557 26.800 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.073 -20.732 26.746 1.00 0.00 H new ATOM 1070 N LYS A 72 12.945 -22.914 20.202 1.00 0.00 N ATOM 1071 CA LYS A 72 12.835 -23.776 19.031 1.00 0.00 C ATOM 1072 C LYS A 72 14.211 -24.084 18.450 1.00 0.00 C ATOM 1073 O LYS A 72 14.411 -25.121 17.818 1.00 0.00 O ATOM 1074 CB LYS A 72 11.956 -23.114 17.967 1.00 0.00 C ATOM 1075 CG LYS A 72 11.014 -24.080 17.270 1.00 0.00 C ATOM 1076 CD LYS A 72 9.835 -23.354 16.643 1.00 0.00 C ATOM 1077 CE LYS A 72 8.720 -23.127 17.651 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.489 -23.888 17.297 1.00 0.00 N ATOM 0 H LYS A 72 12.426 -22.039 20.132 1.00 0.00 H new ATOM 0 HA LYS A 72 12.375 -24.714 19.343 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.371 -22.321 18.433 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.596 -22.642 17.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.557 -24.627 16.500 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.650 -24.816 17.987 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.167 -22.395 16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.454 -23.934 15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.060 -23.427 18.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.487 -22.063 17.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.752 -23.707 18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.150 -23.584 16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.704 -24.905 17.273 1.00 0.00 H new ATOM 1092 N LYS A 73 15.157 -23.177 18.670 1.00 0.00 N ATOM 1093 CA LYS A 73 16.516 -23.353 18.171 1.00 0.00 C ATOM 1094 C LYS A 73 17.362 -24.143 19.163 1.00 0.00 C ATOM 1095 O LYS A 73 18.164 -24.991 18.772 1.00 0.00 O ATOM 1096 CB LYS A 73 17.163 -21.992 17.903 1.00 0.00 C ATOM 1097 CG LYS A 73 18.551 -22.087 17.295 1.00 0.00 C ATOM 1098 CD LYS A 73 18.770 -21.022 16.234 1.00 0.00 C ATOM 1099 CE LYS A 73 19.804 -21.460 15.209 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.193 -21.699 13.872 1.00 0.00 N ATOM 0 H LYS A 73 15.008 -22.313 19.191 1.00 0.00 H new ATOM 0 HA LYS A 73 16.464 -23.914 17.238 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.521 -21.420 17.234 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.223 -21.437 18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.301 -21.980 18.079 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.689 -23.074 16.854 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.827 -20.808 15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.096 -20.096 16.708 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.577 -20.696 15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.293 -22.371 15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.930 -21.996 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.473 -22.446 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.748 -20.823 13.532 1.00 0.00 H new ATOM 1114 N ILE A 74 17.177 -23.861 20.448 1.00 0.00 N ATOM 1115 CA ILE A 74 17.922 -24.547 21.496 1.00 0.00 C ATOM 1116 C ILE A 74 17.538 -26.022 21.567 1.00 0.00 C ATOM 1117 O ILE A 74 18.386 -26.903 21.418 1.00 0.00 O ATOM 1118 CB ILE A 74 17.684 -23.899 22.873 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.095 -22.426 22.845 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.453 -24.649 23.951 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.688 -21.662 24.086 1.00 0.00 C ATOM 0 H ILE A 74 16.517 -23.162 20.789 1.00 0.00 H new ATOM 0 HA ILE A 74 18.978 -24.460 21.241 1.00 0.00 H new ATOM 0 HB ILE A 74 16.621 -23.956 23.106 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.177 -22.361 22.726 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.649 -21.949 21.972 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.275 -24.179 24.918 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.117 -25.685 23.983 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.519 -24.620 23.724 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.012 -20.625 23.997 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.604 -21.696 24.195 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.155 -22.114 24.961 1.00 0.00 H new ATOM 1133 N LEU A 75 16.256 -26.283 21.795 1.00 0.00 N ATOM 1134 CA LEU A 75 15.758 -27.651 21.884 1.00 0.00 C ATOM 1135 C LEU A 75 16.164 -28.460 20.656 1.00 0.00 C ATOM 1136 O LEU A 75 16.542 -29.625 20.765 1.00 0.00 O ATOM 1137 CB LEU A 75 14.235 -27.652 22.029 1.00 0.00 C ATOM 1138 CG LEU A 75 13.669 -26.802 23.167 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.199 -26.495 22.924 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.854 -27.507 24.503 1.00 0.00 C ATOM 0 H LEU A 75 15.542 -25.565 21.922 1.00 0.00 H new ATOM 0 HA LEU A 75 16.201 -28.116 22.765 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.801 -27.304 21.092 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.904 -28.681 22.171 1.00 0.00 H new ATOM 0 HG LEU A 75 14.216 -25.860 23.197 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.813 -25.889 23.744 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.092 -25.948 21.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.637 -27.427 22.866 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.445 -26.887 25.301 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.333 -28.464 24.484 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.916 -27.675 24.682 1.00 0.00 H new ATOM 1152 N ASN A 76 16.083 -27.831 19.487 1.00 0.00 N ATOM 1153 CA ASN A 76 16.444 -28.492 18.238 1.00 0.00 C ATOM 1154 C ASN A 76 17.877 -29.012 18.291 1.00 0.00 C ATOM 1155 O ASN A 76 18.228 -29.968 17.600 1.00 0.00 O ATOM 1156 CB ASN A 76 16.283 -27.527 17.062 1.00 0.00 C ATOM 1157 CG ASN A 76 14.915 -27.627 16.415 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.968 -28.136 17.014 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.806 -27.140 15.184 1.00 0.00 N ATOM 0 H ASN A 76 15.771 -26.866 19.379 1.00 0.00 H new ATOM 0 HA ASN A 76 15.774 -29.340 18.098 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.444 -26.506 17.409 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.051 -27.736 16.317 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.910 -27.179 14.697 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.618 -26.727 14.725 1.00 0.00 H new ATOM 1166 N SER A 77 18.701 -28.376 19.118 1.00 0.00 N ATOM 1167 CA SER A 77 20.097 -28.771 19.260 1.00 0.00 C ATOM 1168 C SER A 77 20.272 -29.737 20.428 1.00 0.00 C ATOM 1169 O SER A 77 21.020 -30.711 20.335 1.00 0.00 O ATOM 1170 CB SER A 77 20.980 -27.539 19.466 1.00 0.00 C ATOM 1171 OG SER A 77 22.236 -27.698 18.828 1.00 0.00 O ATOM 0 H SER A 77 18.425 -27.585 19.700 1.00 0.00 H new ATOM 0 HA SER A 77 20.400 -29.277 18.343 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.477 -26.657 19.070 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.129 -27.369 20.532 1.00 0.00 H new ATOM 0 HG SER A 77 22.426 -26.909 18.278 1.00 0.00 H new ATOM 1177 N ILE A 78 19.577 -29.460 21.525 1.00 0.00 N ATOM 1178 CA ILE A 78 19.654 -30.305 22.711 1.00 0.00 C ATOM 1179 C ILE A 78 19.135 -31.709 22.421 1.00 0.00 C ATOM 1180 O ILE A 78 19.742 -32.702 22.822 1.00 0.00 O ATOM 1181 CB ILE A 78 18.854 -29.705 23.882 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.374 -28.307 24.221 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.934 -30.615 25.099 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.526 -27.577 25.239 1.00 0.00 C ATOM 0 H ILE A 78 18.954 -28.658 21.618 1.00 0.00 H new ATOM 0 HA ILE A 78 20.706 -30.361 22.991 1.00 0.00 H new ATOM 0 HB ILE A 78 17.809 -29.621 23.583 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.392 -28.389 24.601 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.421 -27.714 23.307 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.364 -30.178 25.919 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.521 -31.592 24.850 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.975 -30.728 25.401 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.954 -26.593 25.431 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.513 -27.463 24.854 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.499 -28.148 26.167 1.00 0.00 H new ATOM 1196 N HIS A 79 18.007 -31.783 21.720 1.00 0.00 N ATOM 1197 CA HIS A 79 17.407 -33.067 21.374 1.00 0.00 C ATOM 1198 C HIS A 79 18.346 -33.887 20.494 1.00 0.00 C ATOM 1199 O HIS A 79 18.464 -35.101 20.659 1.00 0.00 O ATOM 1200 CB HIS A 79 16.074 -32.852 20.655 1.00 0.00 C ATOM 1201 CG HIS A 79 15.086 -33.953 20.885 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.730 -33.803 20.681 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.262 -35.229 21.302 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.116 -34.937 20.965 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.023 -35.819 21.343 1.00 0.00 N ATOM 0 H HIS A 79 17.491 -30.971 21.381 1.00 0.00 H new ATOM 0 HA HIS A 79 17.230 -33.618 22.297 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.639 -31.909 20.987 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.259 -32.758 19.585 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.202 -35.696 21.555 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.052 -35.113 20.899 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.834 -36.782 21.620 1.00 0.00 H new ATOM 1213 N SER A 80 19.011 -33.215 19.560 1.00 0.00 N ATOM 1214 CA SER A 80 19.936 -33.882 18.652 1.00 0.00 C ATOM 1215 C SER A 80 21.255 -34.196 19.353 1.00 0.00 C ATOM 1216 O SER A 80 21.959 -35.134 18.983 1.00 0.00 O ATOM 1217 CB SER A 80 20.195 -33.010 17.422 1.00 0.00 C ATOM 1218 OG SER A 80 19.173 -33.176 16.455 1.00 0.00 O ATOM 0 H SER A 80 18.926 -32.209 19.412 1.00 0.00 H new ATOM 0 HA SER A 80 19.481 -34.820 18.335 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.251 -31.963 17.720 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.159 -33.269 16.985 1.00 0.00 H new ATOM 0 HG SER A 80 19.361 -32.607 15.680 1.00 0.00 H new ATOM 1224 N MET A 81 21.581 -33.403 20.368 1.00 0.00 N ATOM 1225 CA MET A 81 22.814 -33.596 21.123 1.00 0.00 C ATOM 1226 C MET A 81 22.763 -34.892 21.925 1.00 0.00 C ATOM 1227 O MET A 81 23.617 -35.764 21.768 1.00 0.00 O ATOM 1228 CB MET A 81 23.054 -32.411 22.061 1.00 0.00 C ATOM 1229 CG MET A 81 24.273 -31.582 21.692 1.00 0.00 C ATOM 1230 SD MET A 81 24.975 -30.712 23.107 1.00 0.00 S ATOM 1231 CE MET A 81 23.842 -29.333 23.253 1.00 0.00 C ATOM 0 H MET A 81 21.009 -32.621 20.687 1.00 0.00 H new ATOM 0 HA MET A 81 23.639 -33.661 20.413 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.173 -31.769 22.055 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.172 -32.782 23.079 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.032 -32.232 21.257 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.997 -30.858 20.926 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.390 -28.398 23.137 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.079 -29.405 22.478 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.366 -29.355 24.233 1.00 0.00 H new ATOM 1241 N ARG A 82 21.756 -35.012 22.785 1.00 0.00 N ATOM 1242 CA ARG A 82 21.595 -36.201 23.613 1.00 0.00 C ATOM 1243 C ARG A 82 21.622 -37.465 22.759 1.00 0.00 C ATOM 1244 O ARG A 82 22.301 -38.437 23.091 1.00 0.00 O ATOM 1245 CB ARG A 82 20.283 -36.130 24.396 1.00 0.00 C ATOM 1246 CG ARG A 82 19.070 -35.843 23.526 1.00 0.00 C ATOM 1247 CD ARG A 82 17.865 -35.444 24.365 1.00 0.00 C ATOM 1248 NE ARG A 82 16.746 -36.365 24.187 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.657 -37.542 24.797 1.00 0.00 C ATOM 1250 NH1 ARG A 82 17.618 -37.939 25.621 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.607 -38.324 24.584 1.00 0.00 N ATOM 0 H ARG A 82 21.040 -34.300 22.926 1.00 0.00 H new ATOM 0 HA ARG A 82 22.427 -36.239 24.316 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.130 -37.074 24.918 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.365 -35.354 25.157 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.306 -35.044 22.823 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.827 -36.726 22.935 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.149 -35.417 25.417 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.552 -34.436 24.093 1.00 0.00 H new ATOM 0 HE ARG A 82 15.991 -36.089 23.559 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.427 -37.340 25.787 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.548 -38.843 26.088 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.866 -38.022 23.951 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.540 -39.227 25.053 1.00 0.00 H new