USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 MET CE :methyl 147:sc= -1.81 (180deg=-1.38) USER MOD Set 1.2: A 37 TYR OH : rot -174:sc= 0.839 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -3.61! C(o=-4.6!,f=-9.7!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.178 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.174 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 171:sc= 0 USER MOD Single : A 30 SER OG : rot -37:sc= 0.00265 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.02 K(o=-0.02,f=-0.87) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0795 K(o=-0.08,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 54 GLN : amide:sc= -0.024 K(o=-0.024,f=-1.2) USER MOD Single : A 55 MET CE :methyl -149:sc= -0.0186 (180deg=-0.254) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0602 K(o=-0.06,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.014) USER MOD Single : A 77 SER OG : rot -77:sc= 0.489 USER MOD Single : A 79 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.072) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -162:sc= -0.657 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.871 -24.984 27.197 1.00 0.00 N ATOM 331 CA VAL A 25 27.677 -24.197 26.914 1.00 0.00 C ATOM 332 C VAL A 25 28.027 -22.917 26.163 1.00 0.00 C ATOM 333 O VAL A 25 27.399 -22.583 25.158 1.00 0.00 O ATOM 334 CB VAL A 25 26.926 -23.831 28.207 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.595 -23.169 27.883 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.720 -25.066 29.071 1.00 0.00 C ATOM 0 HA VAL A 25 27.031 -24.816 26.291 1.00 0.00 H new ATOM 0 HB VAL A 25 27.531 -23.119 28.769 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.079 -22.918 28.809 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.771 -22.260 27.308 1.00 0.00 H new ATOM 0 HG13 VAL A 25 24.980 -23.854 27.300 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.188 -24.789 29.981 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.136 -25.803 28.519 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.688 -25.492 29.333 1.00 0.00 H new ATOM 346 N ASP A 26 29.034 -22.205 26.657 1.00 0.00 N ATOM 347 CA ASP A 26 29.471 -20.962 26.032 1.00 0.00 C ATOM 348 C ASP A 26 29.790 -21.179 24.556 1.00 0.00 C ATOM 349 O ASP A 26 29.504 -20.325 23.716 1.00 0.00 O ATOM 350 CB ASP A 26 30.698 -20.406 26.755 1.00 0.00 C ATOM 351 CG ASP A 26 30.557 -20.466 28.264 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.627 -19.827 28.798 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.377 -21.151 28.910 1.00 0.00 O ATOM 0 H ASP A 26 29.563 -22.467 27.489 1.00 0.00 H new ATOM 0 HA ASP A 26 28.657 -20.241 26.107 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.581 -20.970 26.453 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.859 -19.372 26.449 1.00 0.00 H new ATOM 358 N ASP A 27 30.386 -22.325 24.247 1.00 0.00 N ATOM 359 CA ASP A 27 30.744 -22.654 22.872 1.00 0.00 C ATOM 360 C ASP A 27 29.514 -23.077 22.076 1.00 0.00 C ATOM 361 O ASP A 27 29.259 -22.562 20.987 1.00 0.00 O ATOM 362 CB ASP A 27 31.791 -23.770 22.849 1.00 0.00 C ATOM 363 CG ASP A 27 33.208 -23.233 22.823 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.540 -22.395 23.687 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.985 -23.651 21.939 1.00 0.00 O ATOM 0 H ASP A 27 30.632 -23.042 24.930 1.00 0.00 H new ATOM 0 HA ASP A 27 31.164 -21.762 22.408 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.662 -24.404 23.726 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.628 -24.399 21.974 1.00 0.00 H new ATOM 370 N TRP A 28 28.755 -24.019 22.626 1.00 0.00 N ATOM 371 CA TRP A 28 27.551 -24.512 21.966 1.00 0.00 C ATOM 372 C TRP A 28 26.622 -23.360 21.597 1.00 0.00 C ATOM 373 O TRP A 28 26.245 -23.202 20.436 1.00 0.00 O ATOM 374 CB TRP A 28 26.819 -25.504 22.871 1.00 0.00 C ATOM 375 CG TRP A 28 25.407 -25.768 22.443 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.983 -26.133 21.197 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.235 -25.687 23.260 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.617 -26.283 21.190 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.134 -26.015 22.444 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.007 -25.370 24.602 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.829 -26.034 22.927 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.711 -25.389 25.080 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.635 -25.720 24.245 1.00 0.00 C ATOM 0 H TRP A 28 28.952 -24.456 23.526 1.00 0.00 H new ATOM 0 HA TRP A 28 27.851 -25.020 21.049 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.369 -26.445 22.886 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.816 -25.120 23.891 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.627 -26.282 20.343 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.054 -26.550 20.383 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.829 -25.115 25.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.999 -26.288 22.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.524 -25.145 26.115 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.634 -25.727 24.649 1.00 0.00 H new ATOM 394 N LEU A 29 26.257 -22.559 22.592 1.00 0.00 N ATOM 395 CA LEU A 29 25.371 -21.421 22.371 1.00 0.00 C ATOM 396 C LEU A 29 25.932 -20.494 21.298 1.00 0.00 C ATOM 397 O LEU A 29 25.185 -19.931 20.497 1.00 0.00 O ATOM 398 CB LEU A 29 25.169 -20.647 23.675 1.00 0.00 C ATOM 399 CG LEU A 29 24.433 -21.390 24.790 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.253 -20.490 26.003 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.087 -21.897 24.295 1.00 0.00 C ATOM 0 H LEU A 29 26.560 -22.676 23.559 1.00 0.00 H new ATOM 0 HA LEU A 29 24.409 -21.802 22.028 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.147 -20.346 24.051 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.619 -19.733 23.450 1.00 0.00 H new ATOM 0 HG LEU A 29 25.035 -22.249 25.087 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.727 -21.036 26.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.230 -20.177 26.372 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.673 -19.611 25.721 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.577 -22.423 25.102 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.478 -21.054 23.970 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.240 -22.578 23.458 1.00 0.00 H new ATOM 413 N SER A 30 27.252 -20.343 21.285 1.00 0.00 N ATOM 414 CA SER A 30 27.914 -19.483 20.310 1.00 0.00 C ATOM 415 C SER A 30 27.834 -20.086 18.911 1.00 0.00 C ATOM 416 O SER A 30 28.023 -19.393 17.913 1.00 0.00 O ATOM 417 CB SER A 30 29.377 -19.265 20.701 1.00 0.00 C ATOM 418 OG SER A 30 29.918 -18.134 20.041 1.00 0.00 O ATOM 0 H SER A 30 27.885 -20.805 21.938 1.00 0.00 H new ATOM 0 HA SER A 30 27.400 -18.522 20.302 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.452 -19.131 21.780 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.960 -20.151 20.449 1.00 0.00 H new ATOM 0 HG SER A 30 29.552 -18.078 19.134 1.00 0.00 H new ATOM 424 N ALA A 31 27.553 -21.384 18.849 1.00 0.00 N ATOM 425 CA ALA A 31 27.445 -22.081 17.573 1.00 0.00 C ATOM 426 C ALA A 31 26.019 -22.027 17.036 1.00 0.00 C ATOM 427 O ALA A 31 25.754 -22.450 15.911 1.00 0.00 O ATOM 428 CB ALA A 31 27.900 -23.526 17.722 1.00 0.00 C ATOM 0 H ALA A 31 27.396 -21.973 19.667 1.00 0.00 H new ATOM 0 HA ALA A 31 28.094 -21.578 16.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.814 -24.035 16.762 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.938 -23.548 18.053 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.274 -24.031 18.458 1.00 0.00 H new ATOM 434 N ILE A 32 25.106 -21.503 17.847 1.00 0.00 N ATOM 435 CA ILE A 32 23.707 -21.393 17.452 1.00 0.00 C ATOM 436 C ILE A 32 23.223 -19.950 17.540 1.00 0.00 C ATOM 437 O ILE A 32 22.026 -19.678 17.447 1.00 0.00 O ATOM 438 CB ILE A 32 22.803 -22.281 18.327 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.131 -22.077 19.808 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.963 -23.744 17.940 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.277 -22.911 20.736 1.00 0.00 C ATOM 0 H ILE A 32 25.310 -21.148 18.781 1.00 0.00 H new ATOM 0 HA ILE A 32 23.643 -21.732 16.418 1.00 0.00 H new ATOM 0 HB ILE A 32 21.765 -21.993 18.161 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.180 -22.320 19.976 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.004 -21.024 20.058 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.318 -24.359 18.567 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.685 -23.876 16.894 1.00 0.00 H new ATOM 0 HG23 ILE A 32 24.001 -24.046 18.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.564 -22.715 21.769 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.228 -22.652 20.596 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.422 -23.968 20.513 1.00 0.00 H new ATOM 453 N LYS A 33 24.161 -19.027 17.719 1.00 0.00 N ATOM 454 CA LYS A 33 23.832 -17.610 17.817 1.00 0.00 C ATOM 455 C LYS A 33 23.044 -17.321 19.090 1.00 0.00 C ATOM 456 O LYS A 33 22.475 -16.241 19.248 1.00 0.00 O ATOM 457 CB LYS A 33 23.027 -17.166 16.594 1.00 0.00 C ATOM 458 CG LYS A 33 23.572 -17.699 15.281 1.00 0.00 C ATOM 459 CD LYS A 33 23.708 -16.596 14.244 1.00 0.00 C ATOM 460 CE LYS A 33 22.471 -16.504 13.364 1.00 0.00 C ATOM 461 NZ LYS A 33 22.820 -16.214 11.945 1.00 0.00 N ATOM 0 H LYS A 33 25.156 -19.235 17.799 1.00 0.00 H new ATOM 0 HA LYS A 33 24.765 -17.048 17.853 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.995 -17.496 16.710 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.011 -16.077 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.544 -18.162 15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.910 -18.477 14.901 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.871 -15.642 14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.584 -16.784 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.917 -17.441 13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.813 -15.722 13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.950 -16.159 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.327 -15.307 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.427 -16.973 11.575 1.00 0.00 H new ATOM 475 N MET A 34 23.015 -18.293 19.997 1.00 0.00 N ATOM 476 CA MET A 34 22.298 -18.141 21.257 1.00 0.00 C ATOM 477 C MET A 34 23.270 -17.914 22.411 1.00 0.00 C ATOM 478 O MET A 34 22.944 -18.173 23.570 1.00 0.00 O ATOM 479 CB MET A 34 21.440 -19.377 21.533 1.00 0.00 C ATOM 480 CG MET A 34 20.517 -19.744 20.382 1.00 0.00 C ATOM 481 SD MET A 34 19.410 -18.397 19.923 1.00 0.00 S ATOM 482 CE MET A 34 18.293 -18.384 21.323 1.00 0.00 C ATOM 0 H MET A 34 23.480 -19.194 19.882 1.00 0.00 H new ATOM 0 HA MET A 34 21.649 -17.269 21.174 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.093 -20.222 21.748 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.841 -19.202 22.427 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.116 -20.027 19.517 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.926 -20.617 20.660 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.965 -17.363 21.517 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.427 -19.008 21.103 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.807 -18.773 22.202 1.00 0.00 H new ATOM 492 N VAL A 35 24.465 -17.431 22.087 1.00 0.00 N ATOM 493 CA VAL A 35 25.483 -17.169 23.097 1.00 0.00 C ATOM 494 C VAL A 35 24.979 -16.180 24.143 1.00 0.00 C ATOM 495 O VAL A 35 25.495 -16.125 25.258 1.00 0.00 O ATOM 496 CB VAL A 35 26.773 -16.615 22.463 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.722 -15.097 22.388 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.992 -17.078 23.246 1.00 0.00 C ATOM 0 H VAL A 35 24.752 -17.213 21.133 1.00 0.00 H new ATOM 0 HA VAL A 35 25.703 -18.122 23.578 1.00 0.00 H new ATOM 0 HB VAL A 35 26.854 -17.002 21.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.642 -14.724 21.937 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.870 -14.791 21.781 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.617 -14.686 23.392 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.895 -16.678 22.784 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.921 -16.722 24.274 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.035 -18.167 23.242 1.00 0.00 H new ATOM 508 N GLN A 36 23.967 -15.402 23.773 1.00 0.00 N ATOM 509 CA GLN A 36 23.393 -14.415 24.680 1.00 0.00 C ATOM 510 C GLN A 36 22.943 -15.069 25.983 1.00 0.00 C ATOM 511 O GLN A 36 22.873 -14.417 27.025 1.00 0.00 O ATOM 512 CB GLN A 36 22.210 -13.708 24.016 1.00 0.00 C ATOM 513 CG GLN A 36 21.050 -14.635 23.693 1.00 0.00 C ATOM 514 CD GLN A 36 20.656 -14.589 22.230 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.507 -14.671 21.343 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.361 -14.458 21.969 1.00 0.00 N ATOM 0 H GLN A 36 23.528 -15.436 22.853 1.00 0.00 H new ATOM 0 HA GLN A 36 24.164 -13.680 24.911 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.857 -12.913 24.673 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.551 -13.233 23.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.321 -15.656 23.960 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.191 -14.362 24.306 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.690 -14.394 22.735 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.037 -14.422 21.003 1.00 0.00 H new ATOM 525 N TYR A 37 22.639 -16.360 25.916 1.00 0.00 N ATOM 526 CA TYR A 37 22.193 -17.102 27.089 1.00 0.00 C ATOM 527 C TYR A 37 23.336 -17.918 27.685 1.00 0.00 C ATOM 528 O TYR A 37 23.113 -18.951 28.316 1.00 0.00 O ATOM 529 CB TYR A 37 21.029 -18.025 26.723 1.00 0.00 C ATOM 530 CG TYR A 37 19.811 -17.290 26.212 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.051 -16.492 27.059 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.419 -17.394 24.883 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.936 -15.819 26.597 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.306 -16.723 24.413 1.00 0.00 C ATOM 535 CZ TYR A 37 17.569 -15.937 25.273 1.00 0.00 C ATOM 536 OH TYR A 37 16.459 -15.269 24.808 1.00 0.00 O ATOM 0 H TYR A 37 22.693 -16.915 25.062 1.00 0.00 H new ATOM 0 HA TYR A 37 21.857 -16.383 27.836 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.362 -18.732 25.963 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.749 -18.609 27.600 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.337 -16.396 28.096 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.993 -18.009 24.206 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.355 -15.204 27.269 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.015 -16.814 23.377 1.00 0.00 H new ATOM 0 HH TYR A 37 16.284 -15.531 23.880 1.00 0.00 H new ATOM 546 N ARG A 38 24.561 -17.445 27.481 1.00 0.00 N ATOM 547 CA ARG A 38 25.740 -18.130 27.997 1.00 0.00 C ATOM 548 C ARG A 38 25.839 -17.975 29.511 1.00 0.00 C ATOM 549 O ARG A 38 26.435 -18.810 30.193 1.00 0.00 O ATOM 550 CB ARG A 38 27.005 -17.582 27.334 1.00 0.00 C ATOM 551 CG ARG A 38 27.303 -16.135 27.693 1.00 0.00 C ATOM 552 CD ARG A 38 28.724 -15.748 27.312 1.00 0.00 C ATOM 553 NE ARG A 38 28.808 -15.251 25.942 1.00 0.00 N ATOM 554 CZ ARG A 38 29.894 -14.682 25.432 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.983 -14.540 26.174 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.893 -14.254 24.175 1.00 0.00 N ATOM 0 H ARG A 38 24.763 -16.590 26.962 1.00 0.00 H new ATOM 0 HA ARG A 38 25.645 -19.190 27.763 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.854 -18.201 27.623 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.903 -17.666 26.252 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.597 -15.480 27.183 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.159 -15.987 28.763 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.087 -14.983 27.998 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.378 -16.613 27.424 1.00 0.00 H new ATOM 0 HE ARG A 38 27.987 -15.346 25.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.988 -14.868 27.140 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.816 -14.103 25.779 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.057 -14.362 23.600 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.728 -13.817 23.784 1.00 0.00 H new ATOM 570 N ASP A 39 25.253 -16.902 30.031 1.00 0.00 N ATOM 571 CA ASP A 39 25.275 -16.638 31.465 1.00 0.00 C ATOM 572 C ASP A 39 24.066 -17.267 32.152 1.00 0.00 C ATOM 573 O ASP A 39 24.119 -17.609 33.333 1.00 0.00 O ATOM 574 CB ASP A 39 25.299 -15.132 31.728 1.00 0.00 C ATOM 575 CG ASP A 39 26.703 -14.605 31.949 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.648 -15.171 31.361 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.857 -13.627 32.711 1.00 0.00 O ATOM 0 H ASP A 39 24.757 -16.201 29.481 1.00 0.00 H new ATOM 0 HA ASP A 39 26.179 -17.086 31.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.847 -14.611 30.883 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.689 -14.909 32.603 1.00 0.00 H new ATOM 582 N SER A 40 22.978 -17.416 31.403 1.00 0.00 N ATOM 583 CA SER A 40 21.755 -18.000 31.941 1.00 0.00 C ATOM 584 C SER A 40 21.986 -19.445 32.372 1.00 0.00 C ATOM 585 O SER A 40 21.527 -19.870 33.433 1.00 0.00 O ATOM 586 CB SER A 40 20.635 -17.938 30.901 1.00 0.00 C ATOM 587 OG SER A 40 19.653 -16.984 31.264 1.00 0.00 O ATOM 0 H SER A 40 22.919 -17.141 30.423 1.00 0.00 H new ATOM 0 HA SER A 40 21.460 -17.422 32.817 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.053 -17.682 29.927 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.173 -18.920 30.801 1.00 0.00 H new ATOM 0 HG SER A 40 18.950 -16.963 30.582 1.00 0.00 H new ATOM 593 N PHE A 41 22.700 -20.196 31.540 1.00 0.00 N ATOM 594 CA PHE A 41 22.992 -21.595 31.833 1.00 0.00 C ATOM 595 C PHE A 41 24.108 -21.713 32.866 1.00 0.00 C ATOM 596 O PHE A 41 24.041 -22.538 33.779 1.00 0.00 O ATOM 597 CB PHE A 41 23.387 -22.334 30.553 1.00 0.00 C ATOM 598 CG PHE A 41 22.228 -22.608 29.637 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.250 -23.524 29.990 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.115 -21.948 28.424 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.184 -23.778 29.149 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.051 -22.198 27.579 1.00 0.00 C ATOM 603 CZ PHE A 41 20.083 -23.113 27.943 1.00 0.00 C ATOM 0 H PHE A 41 23.087 -19.860 30.658 1.00 0.00 H new ATOM 0 HA PHE A 41 22.091 -22.050 32.244 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.131 -21.745 30.018 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.860 -23.279 30.820 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.322 -24.045 30.933 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.868 -21.229 28.136 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.430 -24.496 29.435 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.976 -21.679 26.635 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.249 -23.308 27.286 1.00 0.00 H new ATOM 613 N LEU A 42 25.135 -20.883 32.717 1.00 0.00 N ATOM 614 CA LEU A 42 26.267 -20.893 33.636 1.00 0.00 C ATOM 615 C LEU A 42 25.802 -20.702 35.076 1.00 0.00 C ATOM 616 O LEU A 42 26.016 -21.564 35.929 1.00 0.00 O ATOM 617 CB LEU A 42 27.264 -19.795 33.261 1.00 0.00 C ATOM 618 CG LEU A 42 28.260 -20.143 32.153 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.953 -18.888 31.646 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.282 -21.154 32.653 1.00 0.00 C ATOM 0 H LEU A 42 25.207 -20.194 31.968 1.00 0.00 H new ATOM 0 HA LEU A 42 26.757 -21.863 33.558 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.703 -18.912 32.954 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.826 -19.521 34.154 1.00 0.00 H new ATOM 0 HG LEU A 42 27.711 -20.591 31.324 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.658 -19.155 30.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.209 -18.197 31.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.489 -18.412 32.467 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.982 -21.390 31.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.826 -20.733 33.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.770 -22.064 32.967 1.00 0.00 H new ATOM 632 N THR A 43 25.161 -19.567 35.340 1.00 0.00 N ATOM 633 CA THR A 43 24.664 -19.263 36.676 1.00 0.00 C ATOM 634 C THR A 43 23.627 -20.286 37.122 1.00 0.00 C ATOM 635 O THR A 43 23.493 -20.570 38.312 1.00 0.00 O ATOM 636 CB THR A 43 24.040 -17.856 36.736 1.00 0.00 C ATOM 637 OG1 THR A 43 23.775 -17.495 38.096 1.00 0.00 O ATOM 638 CG2 THR A 43 22.750 -17.802 35.931 1.00 0.00 C ATOM 0 H THR A 43 24.974 -18.843 34.646 1.00 0.00 H new ATOM 0 HA THR A 43 25.521 -19.301 37.349 1.00 0.00 H new ATOM 0 HB THR A 43 24.749 -17.149 36.305 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.380 -16.599 38.125 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.327 -16.799 35.988 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.960 -18.049 34.890 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.037 -18.520 36.337 1.00 0.00 H new ATOM 646 N ALA A 44 22.894 -20.838 36.161 1.00 0.00 N ATOM 647 CA ALA A 44 21.870 -21.833 36.455 1.00 0.00 C ATOM 648 C ALA A 44 22.493 -23.123 36.980 1.00 0.00 C ATOM 649 O ALA A 44 21.823 -23.930 37.623 1.00 0.00 O ATOM 650 CB ALA A 44 21.035 -22.114 35.215 1.00 0.00 C ATOM 0 H ALA A 44 22.990 -20.613 35.171 1.00 0.00 H new ATOM 0 HA ALA A 44 21.221 -21.431 37.233 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.275 -22.859 35.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.552 -21.194 34.885 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.679 -22.491 34.420 1.00 0.00 H new ATOM 656 N GLY A 45 23.779 -23.310 36.700 1.00 0.00 N ATOM 657 CA GLY A 45 24.470 -24.504 37.150 1.00 0.00 C ATOM 658 C GLY A 45 24.899 -25.394 36.001 1.00 0.00 C ATOM 659 O GLY A 45 25.750 -26.268 36.167 1.00 0.00 O ATOM 0 H GLY A 45 24.355 -22.656 36.170 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.347 -24.216 37.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.818 -25.067 37.818 1.00 0.00 H new ATOM 663 N PHE A 46 24.308 -25.173 34.831 1.00 0.00 N ATOM 664 CA PHE A 46 24.633 -25.964 33.649 1.00 0.00 C ATOM 665 C PHE A 46 25.883 -25.425 32.960 1.00 0.00 C ATOM 666 O PHE A 46 25.798 -24.586 32.063 1.00 0.00 O ATOM 667 CB PHE A 46 23.456 -25.964 32.671 1.00 0.00 C ATOM 668 CG PHE A 46 22.131 -26.231 33.326 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.841 -27.482 33.846 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.177 -25.231 33.422 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.622 -27.731 34.448 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.957 -25.474 34.024 1.00 0.00 C ATOM 673 CZ PHE A 46 19.679 -26.725 34.539 1.00 0.00 C ATOM 0 H PHE A 46 23.602 -24.453 34.676 1.00 0.00 H new ATOM 0 HA PHE A 46 24.830 -26.987 33.969 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.414 -24.999 32.166 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.631 -26.718 31.904 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.575 -28.271 33.780 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.389 -24.251 33.022 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.407 -28.711 34.847 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.221 -24.686 34.092 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.727 -26.917 35.012 1.00 0.00 H new ATOM 683 N THR A 47 27.044 -25.912 33.387 1.00 0.00 N ATOM 684 CA THR A 47 28.311 -25.479 32.813 1.00 0.00 C ATOM 685 C THR A 47 28.776 -26.435 31.721 1.00 0.00 C ATOM 686 O THR A 47 29.526 -26.050 30.824 1.00 0.00 O ATOM 687 CB THR A 47 29.409 -25.375 33.890 1.00 0.00 C ATOM 688 OG1 THR A 47 29.556 -26.631 34.561 1.00 0.00 O ATOM 689 CG2 THR A 47 29.073 -24.290 34.902 1.00 0.00 C ATOM 0 H THR A 47 27.132 -26.607 34.129 1.00 0.00 H new ATOM 0 HA THR A 47 28.141 -24.493 32.380 1.00 0.00 H new ATOM 0 HB THR A 47 30.346 -25.114 33.399 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.256 -26.558 35.243 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.862 -24.235 35.652 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.990 -23.330 34.392 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.126 -24.526 35.388 1.00 0.00 H new ATOM 697 N SER A 48 28.324 -27.682 31.801 1.00 0.00 N ATOM 698 CA SER A 48 28.696 -28.695 30.820 1.00 0.00 C ATOM 699 C SER A 48 27.482 -29.137 30.009 1.00 0.00 C ATOM 700 O SER A 48 26.395 -29.334 30.553 1.00 0.00 O ATOM 701 CB SER A 48 29.327 -29.902 31.516 1.00 0.00 C ATOM 702 OG SER A 48 30.415 -29.509 32.334 1.00 0.00 O ATOM 0 H SER A 48 27.699 -28.015 32.535 1.00 0.00 H new ATOM 0 HA SER A 48 29.425 -28.256 30.139 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.577 -30.409 32.123 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.670 -30.618 30.769 1.00 0.00 H new ATOM 0 HG SER A 48 30.705 -30.269 32.880 1.00 0.00 H new ATOM 708 N LEU A 49 27.676 -29.292 28.704 1.00 0.00 N ATOM 709 CA LEU A 49 26.597 -29.712 27.815 1.00 0.00 C ATOM 710 C LEU A 49 26.023 -31.056 28.252 1.00 0.00 C ATOM 711 O LEU A 49 24.848 -31.343 28.024 1.00 0.00 O ATOM 712 CB LEU A 49 27.104 -29.805 26.375 1.00 0.00 C ATOM 713 CG LEU A 49 27.644 -28.509 25.768 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.562 -28.812 24.594 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.499 -27.606 25.334 1.00 0.00 C ATOM 0 H LEU A 49 28.569 -29.133 28.238 1.00 0.00 H new ATOM 0 HA LEU A 49 25.805 -28.965 27.868 1.00 0.00 H new ATOM 0 HB2 LEU A 49 27.892 -30.557 26.336 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.289 -30.165 25.747 1.00 0.00 H new ATOM 0 HG LEU A 49 28.223 -27.987 26.530 1.00 0.00 H new ATOM 0 HD11 LEU A 49 28.937 -27.878 24.175 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.401 -29.419 24.935 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.007 -29.356 23.830 1.00 0.00 H new ATOM 0 HD21 LEU A 49 26.902 -26.689 24.905 1.00 0.00 H new ATOM 0 HD22 LEU A 49 25.893 -28.120 24.588 1.00 0.00 H new ATOM 0 HD23 LEU A 49 25.881 -27.361 26.198 1.00 0.00 H new ATOM 727 N GLN A 50 26.860 -31.874 28.883 1.00 0.00 N ATOM 728 CA GLN A 50 26.434 -33.187 29.353 1.00 0.00 C ATOM 729 C GLN A 50 25.201 -33.073 30.243 1.00 0.00 C ATOM 730 O GLN A 50 24.393 -33.999 30.325 1.00 0.00 O ATOM 731 CB GLN A 50 27.569 -33.870 30.118 1.00 0.00 C ATOM 732 CG GLN A 50 27.927 -33.177 31.423 1.00 0.00 C ATOM 733 CD GLN A 50 29.357 -33.441 31.851 1.00 0.00 C ATOM 734 OE1 GLN A 50 30.114 -34.110 31.147 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.734 -32.917 33.012 1.00 0.00 N ATOM 0 H GLN A 50 27.836 -31.651 29.080 1.00 0.00 H new ATOM 0 HA GLN A 50 26.176 -33.791 28.483 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.284 -34.901 30.330 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.453 -33.908 29.482 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.777 -32.103 31.313 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.249 -33.514 32.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.073 -32.369 33.563 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.684 -33.063 33.353 1.00 0.00 H new ATOM 744 N LEU A 51 25.062 -31.932 30.910 1.00 0.00 N ATOM 745 CA LEU A 51 23.927 -31.696 31.795 1.00 0.00 C ATOM 746 C LEU A 51 22.762 -31.074 31.033 1.00 0.00 C ATOM 747 O LEU A 51 21.599 -31.267 31.389 1.00 0.00 O ATOM 748 CB LEU A 51 24.339 -30.785 32.953 1.00 0.00 C ATOM 749 CG LEU A 51 25.473 -31.298 33.840 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.784 -30.296 34.941 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.115 -32.652 34.435 1.00 0.00 C ATOM 0 H LEU A 51 25.722 -31.156 30.854 1.00 0.00 H new ATOM 0 HA LEU A 51 23.603 -32.657 32.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.635 -29.820 32.542 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.465 -30.610 33.580 1.00 0.00 H new ATOM 0 HG LEU A 51 26.364 -31.419 33.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.594 -30.678 35.563 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.085 -29.348 34.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.897 -30.143 35.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.934 -33.001 35.063 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.211 -32.558 35.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.943 -33.368 33.632 1.00 0.00 H new ATOM 763 N VAL A 52 23.081 -30.328 29.980 1.00 0.00 N ATOM 764 CA VAL A 52 22.061 -29.681 29.164 1.00 0.00 C ATOM 765 C VAL A 52 21.384 -30.681 28.234 1.00 0.00 C ATOM 766 O VAL A 52 20.237 -30.491 27.827 1.00 0.00 O ATOM 767 CB VAL A 52 22.657 -28.536 28.324 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.584 -27.894 27.458 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.317 -27.503 29.224 1.00 0.00 C ATOM 0 H VAL A 52 24.038 -30.157 29.672 1.00 0.00 H new ATOM 0 HA VAL A 52 21.321 -29.270 29.850 1.00 0.00 H new ATOM 0 HB VAL A 52 23.420 -28.951 27.666 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.024 -27.087 26.872 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.162 -28.642 26.787 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.795 -27.492 28.094 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.733 -26.701 28.614 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.576 -27.091 29.909 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.116 -27.976 29.795 1.00 0.00 H new ATOM 779 N THR A 53 22.101 -31.749 27.900 1.00 0.00 N ATOM 780 CA THR A 53 21.571 -32.780 27.016 1.00 0.00 C ATOM 781 C THR A 53 20.371 -33.479 27.645 1.00 0.00 C ATOM 782 O THR A 53 19.519 -34.021 26.942 1.00 0.00 O ATOM 783 CB THR A 53 22.643 -33.832 26.674 1.00 0.00 C ATOM 784 OG1 THR A 53 23.256 -34.315 27.875 1.00 0.00 O ATOM 785 CG2 THR A 53 23.705 -33.245 25.757 1.00 0.00 C ATOM 0 H THR A 53 23.051 -31.923 28.228 1.00 0.00 H new ATOM 0 HA THR A 53 21.258 -32.280 26.099 1.00 0.00 H new ATOM 0 HB THR A 53 22.157 -34.659 26.157 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.935 -34.984 27.649 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.451 -34.007 25.530 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.239 -32.905 24.832 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.187 -32.402 26.252 1.00 0.00 H new ATOM 793 N GLN A 54 20.311 -33.463 28.973 1.00 0.00 N ATOM 794 CA GLN A 54 19.215 -34.096 29.695 1.00 0.00 C ATOM 795 C GLN A 54 18.216 -33.055 30.190 1.00 0.00 C ATOM 796 O GLN A 54 17.517 -33.271 31.179 1.00 0.00 O ATOM 797 CB GLN A 54 19.754 -34.904 30.877 1.00 0.00 C ATOM 798 CG GLN A 54 20.955 -35.767 30.526 1.00 0.00 C ATOM 799 CD GLN A 54 21.315 -36.742 31.630 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.461 -37.145 32.421 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.584 -37.128 31.689 1.00 0.00 N ATOM 0 H GLN A 54 21.009 -33.019 29.570 1.00 0.00 H new ATOM 0 HA GLN A 54 18.702 -34.768 29.008 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.031 -34.219 31.679 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.959 -35.542 31.263 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.745 -36.321 29.611 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.811 -35.125 30.320 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.258 -36.769 31.013 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.885 -37.784 32.410 1.00 0.00 H new ATOM 810 N MET A 55 18.154 -31.924 29.494 1.00 0.00 N ATOM 811 CA MET A 55 17.239 -30.849 29.862 1.00 0.00 C ATOM 812 C MET A 55 16.025 -30.828 28.938 1.00 0.00 C ATOM 813 O MET A 55 15.881 -31.685 28.065 1.00 0.00 O ATOM 814 CB MET A 55 17.957 -29.499 29.811 1.00 0.00 C ATOM 815 CG MET A 55 18.963 -29.303 30.933 1.00 0.00 C ATOM 816 SD MET A 55 18.182 -29.185 32.554 1.00 0.00 S ATOM 817 CE MET A 55 18.681 -30.742 33.284 1.00 0.00 C ATOM 0 H MET A 55 18.726 -31.728 28.673 1.00 0.00 H new ATOM 0 HA MET A 55 16.895 -31.031 30.880 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.470 -29.406 28.854 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.216 -28.701 29.855 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.668 -30.135 30.933 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.539 -28.397 30.745 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.911 -31.083 33.976 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.817 -31.485 32.498 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.619 -30.607 33.822 1.00 0.00 H new ATOM 827 N THR A 56 15.153 -29.844 29.136 1.00 0.00 N ATOM 828 CA THR A 56 13.952 -29.713 28.323 1.00 0.00 C ATOM 829 C THR A 56 13.531 -28.253 28.194 1.00 0.00 C ATOM 830 O THR A 56 14.110 -27.373 28.831 1.00 0.00 O ATOM 831 CB THR A 56 12.782 -30.522 28.913 1.00 0.00 C ATOM 832 OG1 THR A 56 11.689 -30.550 27.989 1.00 0.00 O ATOM 833 CG2 THR A 56 12.321 -29.922 30.233 1.00 0.00 C ATOM 0 H THR A 56 15.257 -29.126 29.853 1.00 0.00 H new ATOM 0 HA THR A 56 14.195 -30.107 27.336 1.00 0.00 H new ATOM 0 HB THR A 56 13.129 -31.539 29.095 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.950 -31.068 28.372 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.494 -30.510 30.631 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.147 -29.930 30.944 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.991 -28.896 30.071 1.00 0.00 H new ATOM 841 N SER A 57 12.521 -28.004 27.368 1.00 0.00 N ATOM 842 CA SER A 57 12.025 -26.649 27.154 1.00 0.00 C ATOM 843 C SER A 57 11.713 -25.969 28.484 1.00 0.00 C ATOM 844 O SER A 57 11.864 -24.755 28.622 1.00 0.00 O ATOM 845 CB SER A 57 10.773 -26.675 26.275 1.00 0.00 C ATOM 846 OG SER A 57 10.518 -27.981 25.789 1.00 0.00 O ATOM 0 H SER A 57 12.030 -28.722 26.836 1.00 0.00 H new ATOM 0 HA SER A 57 12.804 -26.078 26.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.915 -26.323 26.848 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.899 -25.990 25.437 1.00 0.00 H new ATOM 0 HG SER A 57 9.712 -27.971 25.232 1.00 0.00 H new ATOM 852 N GLU A 58 11.277 -26.760 29.458 1.00 0.00 N ATOM 853 CA GLU A 58 10.942 -26.234 30.777 1.00 0.00 C ATOM 854 C GLU A 58 12.162 -25.592 31.432 1.00 0.00 C ATOM 855 O GLU A 58 12.077 -24.497 31.987 1.00 0.00 O ATOM 856 CB GLU A 58 10.397 -27.349 31.672 1.00 0.00 C ATOM 857 CG GLU A 58 9.173 -28.045 31.100 1.00 0.00 C ATOM 858 CD GLU A 58 8.462 -28.909 32.123 1.00 0.00 C ATOM 859 OE1 GLU A 58 9.071 -29.889 32.599 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.295 -28.603 32.448 1.00 0.00 O ATOM 0 H GLU A 58 11.147 -27.767 29.360 1.00 0.00 H new ATOM 0 HA GLU A 58 10.174 -25.471 30.651 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.181 -28.088 31.836 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.145 -26.931 32.646 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.479 -27.296 30.718 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.473 -28.663 30.254 1.00 0.00 H new ATOM 867 N ASP A 59 13.295 -26.282 31.362 1.00 0.00 N ATOM 868 CA ASP A 59 14.533 -25.781 31.947 1.00 0.00 C ATOM 869 C ASP A 59 14.878 -24.402 31.391 1.00 0.00 C ATOM 870 O ASP A 59 15.449 -23.564 32.090 1.00 0.00 O ATOM 871 CB ASP A 59 15.681 -26.755 31.677 1.00 0.00 C ATOM 872 CG ASP A 59 17.038 -26.146 31.971 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.187 -25.514 33.039 1.00 0.00 O ATOM 874 OD2 ASP A 59 17.951 -26.301 31.134 1.00 0.00 O ATOM 0 H ASP A 59 13.382 -27.190 30.906 1.00 0.00 H new ATOM 0 HA ASP A 59 14.387 -25.693 33.024 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.547 -27.648 32.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.647 -27.073 30.635 1.00 0.00 H new ATOM 879 N LEU A 60 14.527 -24.175 30.130 1.00 0.00 N ATOM 880 CA LEU A 60 14.800 -22.898 29.479 1.00 0.00 C ATOM 881 C LEU A 60 14.021 -21.769 30.146 1.00 0.00 C ATOM 882 O LEU A 60 14.551 -20.680 30.367 1.00 0.00 O ATOM 883 CB LEU A 60 14.441 -22.973 27.994 1.00 0.00 C ATOM 884 CG LEU A 60 14.861 -24.250 27.266 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.546 -24.147 25.782 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.342 -24.525 27.481 1.00 0.00 C ATOM 0 H LEU A 60 14.053 -24.858 29.538 1.00 0.00 H new ATOM 0 HA LEU A 60 15.865 -22.688 29.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.361 -22.861 27.896 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.897 -22.123 27.487 1.00 0.00 H new ATOM 0 HG LEU A 60 14.294 -25.084 27.680 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.852 -25.065 25.281 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.475 -23.999 25.647 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.085 -23.302 25.353 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.623 -25.438 26.955 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.927 -23.690 27.095 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.539 -24.645 28.546 1.00 0.00 H new ATOM 898 N LEU A 61 12.760 -22.037 30.467 1.00 0.00 N ATOM 899 CA LEU A 61 11.907 -21.044 31.111 1.00 0.00 C ATOM 900 C LEU A 61 12.281 -20.876 32.580 1.00 0.00 C ATOM 901 O LEU A 61 11.942 -19.872 33.206 1.00 0.00 O ATOM 902 CB LEU A 61 10.437 -21.451 30.991 1.00 0.00 C ATOM 903 CG LEU A 61 9.676 -20.877 29.796 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.187 -21.994 28.888 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.510 -20.020 30.267 1.00 0.00 C ATOM 0 H LEU A 61 12.306 -22.933 30.292 1.00 0.00 H new ATOM 0 HA LEU A 61 12.056 -20.090 30.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.385 -22.539 30.941 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.922 -21.149 31.903 1.00 0.00 H new ATOM 0 HG LEU A 61 10.357 -20.245 29.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.648 -21.566 28.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.040 -22.565 28.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.522 -22.653 29.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.980 -19.620 29.403 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.828 -20.628 30.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.886 -19.197 30.875 1.00 0.00 H new ATOM 917 N ARG A 62 12.985 -21.864 33.123 1.00 0.00 N ATOM 918 CA ARG A 62 13.406 -21.825 34.518 1.00 0.00 C ATOM 919 C ARG A 62 14.577 -20.864 34.705 1.00 0.00 C ATOM 920 O ARG A 62 14.644 -20.139 35.698 1.00 0.00 O ATOM 921 CB ARG A 62 13.801 -23.224 34.993 1.00 0.00 C ATOM 922 CG ARG A 62 12.663 -24.230 34.937 1.00 0.00 C ATOM 923 CD ARG A 62 12.418 -24.871 36.294 1.00 0.00 C ATOM 924 NE ARG A 62 11.542 -24.058 37.133 1.00 0.00 N ATOM 925 CZ ARG A 62 10.234 -23.940 36.931 1.00 0.00 C ATOM 926 NH1 ARG A 62 9.654 -24.579 35.925 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.503 -23.181 37.739 1.00 0.00 N ATOM 0 H ARG A 62 13.276 -22.701 32.618 1.00 0.00 H new ATOM 0 HA ARG A 62 12.566 -21.469 35.115 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.626 -23.587 34.380 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.168 -23.160 36.017 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.754 -23.734 34.599 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.895 -25.003 34.205 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.974 -25.857 36.154 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.371 -25.020 36.802 1.00 0.00 H new ATOM 0 HE ARG A 62 11.957 -23.553 37.917 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.212 -25.164 35.303 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.650 -24.486 35.773 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.946 -22.688 38.515 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.499 -23.091 37.584 1.00 0.00 H new ATOM 941 N ILE A 63 15.495 -20.864 33.745 1.00 0.00 N ATOM 942 CA ILE A 63 16.662 -19.992 33.804 1.00 0.00 C ATOM 943 C ILE A 63 16.313 -18.577 33.355 1.00 0.00 C ATOM 944 O ILE A 63 16.942 -17.608 33.778 1.00 0.00 O ATOM 945 CB ILE A 63 17.810 -20.528 32.930 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.403 -20.522 31.455 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.202 -21.930 33.371 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.515 -20.943 30.519 1.00 0.00 C ATOM 0 H ILE A 63 15.454 -21.458 32.917 1.00 0.00 H new ATOM 0 HA ILE A 63 16.988 -19.971 34.844 1.00 0.00 H new ATOM 0 HB ILE A 63 18.674 -19.875 33.052 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.552 -21.189 31.319 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.069 -19.521 31.183 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.015 -22.295 32.743 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.529 -21.906 34.411 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.343 -22.595 33.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.155 -20.915 29.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.359 -20.261 30.627 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.833 -21.956 30.765 1.00 0.00 H new ATOM 960 N GLY A 64 15.305 -18.466 32.496 1.00 0.00 N ATOM 961 CA GLY A 64 14.888 -17.165 32.005 1.00 0.00 C ATOM 962 C GLY A 64 14.390 -17.218 30.574 1.00 0.00 C ATOM 963 O GLY A 64 13.445 -16.517 30.213 1.00 0.00 O ATOM 0 H GLY A 64 14.769 -19.254 32.131 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.099 -16.774 32.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.725 -16.470 32.070 1.00 0.00 H new ATOM 967 N ILE A 65 15.028 -18.050 29.758 1.00 0.00 N ATOM 968 CA ILE A 65 14.645 -18.191 28.359 1.00 0.00 C ATOM 969 C ILE A 65 13.150 -18.461 28.223 1.00 0.00 C ATOM 970 O ILE A 65 12.685 -19.577 28.458 1.00 0.00 O ATOM 971 CB ILE A 65 15.425 -19.327 27.672 1.00 0.00 C ATOM 972 CG1 ILE A 65 16.930 -19.066 27.758 1.00 0.00 C ATOM 973 CG2 ILE A 65 14.988 -19.469 26.222 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.773 -20.291 27.477 1.00 0.00 C ATOM 0 H ILE A 65 15.813 -18.637 30.042 1.00 0.00 H new ATOM 0 HA ILE A 65 14.888 -17.248 27.869 1.00 0.00 H new ATOM 0 HB ILE A 65 15.207 -20.262 28.189 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.196 -18.282 27.049 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.169 -18.691 28.753 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.549 -20.276 25.750 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.923 -19.697 26.184 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.179 -18.536 25.691 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.829 -20.032 27.556 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.536 -21.070 28.201 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.563 -20.655 26.471 1.00 0.00 H new ATOM 986 N THR A 66 12.400 -17.432 27.840 1.00 0.00 N ATOM 987 CA THR A 66 10.958 -17.557 27.672 1.00 0.00 C ATOM 988 C THR A 66 10.530 -17.142 26.269 1.00 0.00 C ATOM 989 O THR A 66 9.387 -16.738 26.052 1.00 0.00 O ATOM 990 CB THR A 66 10.196 -16.703 28.703 1.00 0.00 C ATOM 991 OG1 THR A 66 10.563 -15.326 28.565 1.00 0.00 O ATOM 992 CG2 THR A 66 10.492 -17.172 30.120 1.00 0.00 C ATOM 0 H THR A 66 12.768 -16.502 27.640 1.00 0.00 H new ATOM 0 HA THR A 66 10.711 -18.607 27.828 1.00 0.00 H new ATOM 0 HB THR A 66 9.128 -16.815 28.516 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.073 -14.789 29.223 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.943 -16.554 30.830 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.185 -18.212 30.231 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.561 -17.087 30.316 1.00 0.00 H new ATOM 1000 N LEU A 67 11.453 -17.246 25.320 1.00 0.00 N ATOM 1001 CA LEU A 67 11.170 -16.882 23.935 1.00 0.00 C ATOM 1002 C LEU A 67 10.874 -18.121 23.096 1.00 0.00 C ATOM 1003 O LEU A 67 11.772 -18.903 22.788 1.00 0.00 O ATOM 1004 CB LEU A 67 12.352 -16.118 23.337 1.00 0.00 C ATOM 1005 CG LEU A 67 12.283 -14.593 23.432 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.356 -14.067 24.373 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.427 -13.966 22.053 1.00 0.00 C ATOM 0 H LEU A 67 12.403 -17.579 25.483 1.00 0.00 H new ATOM 0 HA LEU A 67 10.289 -16.241 23.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.263 -16.452 23.833 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.442 -16.393 22.286 1.00 0.00 H new ATOM 0 HG LEU A 67 11.309 -14.317 23.835 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.291 -12.980 24.428 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.208 -14.490 25.367 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.339 -14.353 24.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.376 -12.881 22.140 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.387 -14.251 21.622 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.622 -14.317 21.408 1.00 0.00 H new ATOM 1019 N ALA A 68 9.608 -18.291 22.728 1.00 0.00 N ATOM 1020 CA ALA A 68 9.194 -19.432 21.921 1.00 0.00 C ATOM 1021 C ALA A 68 10.016 -19.525 20.640 1.00 0.00 C ATOM 1022 O ALA A 68 10.305 -20.618 20.155 1.00 0.00 O ATOM 1023 CB ALA A 68 7.711 -19.335 21.593 1.00 0.00 C ATOM 0 H ALA A 68 8.852 -17.653 22.976 1.00 0.00 H new ATOM 0 HA ALA A 68 9.369 -20.339 22.500 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.415 -20.193 20.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.134 -19.325 22.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.521 -18.417 21.036 1.00 0.00 H new ATOM 1029 N GLY A 69 10.389 -18.371 20.096 1.00 0.00 N ATOM 1030 CA GLY A 69 11.174 -18.346 18.876 1.00 0.00 C ATOM 1031 C GLY A 69 12.625 -18.715 19.111 1.00 0.00 C ATOM 1032 O GLY A 69 13.337 -19.089 18.179 1.00 0.00 O ATOM 0 H GLY A 69 10.162 -17.453 20.478 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.739 -19.037 18.154 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.123 -17.350 18.435 1.00 0.00 H new ATOM 1036 N HIS A 70 13.065 -18.608 20.361 1.00 0.00 N ATOM 1037 CA HIS A 70 14.442 -18.932 20.716 1.00 0.00 C ATOM 1038 C HIS A 70 14.558 -20.383 21.174 1.00 0.00 C ATOM 1039 O HIS A 70 15.500 -21.085 20.808 1.00 0.00 O ATOM 1040 CB HIS A 70 14.941 -17.997 21.818 1.00 0.00 C ATOM 1041 CG HIS A 70 15.312 -16.633 21.323 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.289 -15.510 22.123 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.719 -16.215 20.102 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.664 -14.460 21.414 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.931 -14.860 20.184 1.00 0.00 N ATOM 0 H HIS A 70 12.489 -18.300 21.144 1.00 0.00 H new ATOM 0 HA HIS A 70 15.060 -18.798 19.828 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.167 -17.900 22.579 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.808 -18.448 22.301 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.852 -16.832 19.226 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.739 -13.446 21.779 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.243 -14.261 19.420 1.00 0.00 H new ATOM 1053 N GLN A 71 13.594 -20.824 21.976 1.00 0.00 N ATOM 1054 CA GLN A 71 13.590 -22.191 22.484 1.00 0.00 C ATOM 1055 C GLN A 71 13.512 -23.197 21.340 1.00 0.00 C ATOM 1056 O GLN A 71 13.978 -24.330 21.463 1.00 0.00 O ATOM 1057 CB GLN A 71 12.415 -22.398 23.442 1.00 0.00 C ATOM 1058 CG GLN A 71 12.449 -21.481 24.654 1.00 0.00 C ATOM 1059 CD GLN A 71 11.071 -21.225 25.231 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.058 -21.423 24.561 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.026 -20.783 26.483 1.00 0.00 N ATOM 0 H GLN A 71 12.807 -20.255 22.288 1.00 0.00 H new ATOM 0 HA GLN A 71 14.523 -22.354 23.024 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.483 -22.236 22.901 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.411 -23.434 23.781 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.084 -21.923 25.422 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.903 -20.531 24.373 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.891 -20.633 27.002 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.126 -20.594 26.925 1.00 0.00 H new ATOM 1070 N LYS A 72 12.920 -22.776 20.228 1.00 0.00 N ATOM 1071 CA LYS A 72 12.781 -23.638 19.061 1.00 0.00 C ATOM 1072 C LYS A 72 14.147 -24.056 18.527 1.00 0.00 C ATOM 1073 O LYS A 72 14.290 -25.116 17.917 1.00 0.00 O ATOM 1074 CB LYS A 72 11.990 -22.923 17.963 1.00 0.00 C ATOM 1075 CG LYS A 72 10.865 -23.761 17.380 1.00 0.00 C ATOM 1076 CD LYS A 72 9.509 -23.117 17.618 1.00 0.00 C ATOM 1077 CE LYS A 72 9.055 -22.312 16.410 1.00 0.00 C ATOM 1078 NZ LYS A 72 8.200 -23.119 15.495 1.00 0.00 N ATOM 0 H LYS A 72 12.528 -21.842 20.110 1.00 0.00 H new ATOM 0 HA LYS A 72 12.240 -24.534 19.366 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.573 -22.002 18.369 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.672 -22.638 17.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.024 -23.891 16.310 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.881 -24.755 17.828 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.772 -23.889 17.840 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.562 -22.467 18.491 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.501 -21.435 16.745 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.927 -21.949 15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.911 -22.535 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.736 -23.942 15.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.355 -23.444 16.006 1.00 0.00 H new ATOM 1092 N LYS A 73 15.151 -23.217 18.761 1.00 0.00 N ATOM 1093 CA LYS A 73 16.507 -23.499 18.307 1.00 0.00 C ATOM 1094 C LYS A 73 17.256 -24.352 19.326 1.00 0.00 C ATOM 1095 O LYS A 73 17.889 -25.347 18.971 1.00 0.00 O ATOM 1096 CB LYS A 73 17.267 -22.194 18.062 1.00 0.00 C ATOM 1097 CG LYS A 73 18.657 -22.399 17.485 1.00 0.00 C ATOM 1098 CD LYS A 73 18.976 -21.364 16.419 1.00 0.00 C ATOM 1099 CE LYS A 73 20.002 -21.886 15.425 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.422 -22.048 14.063 1.00 0.00 N ATOM 0 H LYS A 73 15.050 -22.335 19.263 1.00 0.00 H new ATOM 0 HA LYS A 73 16.441 -24.055 17.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.689 -21.569 17.382 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.350 -21.649 19.003 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.396 -22.340 18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.730 -23.399 17.057 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.063 -21.091 15.891 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.354 -20.458 16.892 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.847 -21.199 15.381 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.389 -22.844 15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.153 -22.406 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.632 -22.723 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.076 -21.129 13.721 1.00 0.00 H new ATOM 1114 N ILE A 74 17.177 -23.958 20.593 1.00 0.00 N ATOM 1115 CA ILE A 74 17.845 -24.688 21.663 1.00 0.00 C ATOM 1116 C ILE A 74 17.412 -26.150 21.684 1.00 0.00 C ATOM 1117 O ILE A 74 18.231 -27.055 21.516 1.00 0.00 O ATOM 1118 CB ILE A 74 17.558 -24.059 23.039 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.014 -22.598 23.061 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.248 -24.852 24.138 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.495 -21.822 24.251 1.00 0.00 C ATOM 0 H ILE A 74 16.657 -23.137 20.903 1.00 0.00 H new ATOM 0 HA ILE A 74 18.915 -24.631 21.464 1.00 0.00 H new ATOM 0 HB ILE A 74 16.483 -24.087 23.218 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.104 -22.566 23.063 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.683 -22.108 22.145 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.036 -24.395 25.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.879 -25.878 24.133 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.324 -24.852 23.965 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.857 -20.795 24.202 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.405 -21.823 24.239 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.848 -22.288 25.171 1.00 0.00 H new ATOM 1133 N LEU A 75 16.119 -26.375 21.891 1.00 0.00 N ATOM 1134 CA LEU A 75 15.575 -27.728 21.933 1.00 0.00 C ATOM 1135 C LEU A 75 15.971 -28.513 20.687 1.00 0.00 C ATOM 1136 O LEU A 75 16.298 -29.696 20.765 1.00 0.00 O ATOM 1137 CB LEU A 75 14.051 -27.682 22.058 1.00 0.00 C ATOM 1138 CG LEU A 75 13.499 -26.929 23.269 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.021 -26.623 23.079 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.720 -27.732 24.543 1.00 0.00 C ATOM 0 H LEU A 75 15.428 -25.638 22.032 1.00 0.00 H new ATOM 0 HA LEU A 75 15.990 -28.233 22.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.646 -27.224 21.155 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.678 -28.706 22.091 1.00 0.00 H new ATOM 0 HG LEU A 75 14.036 -25.985 23.361 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.645 -26.087 23.951 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.888 -26.007 22.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.469 -27.555 22.961 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.321 -27.181 25.394 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.210 -28.692 24.461 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.787 -27.899 24.687 1.00 0.00 H new ATOM 1152 N ASN A 76 15.940 -27.845 19.538 1.00 0.00 N ATOM 1153 CA ASN A 76 16.298 -28.479 18.275 1.00 0.00 C ATOM 1154 C ASN A 76 17.733 -28.998 18.313 1.00 0.00 C ATOM 1155 O ASN A 76 18.071 -29.968 17.637 1.00 0.00 O ATOM 1156 CB ASN A 76 16.132 -27.491 17.119 1.00 0.00 C ATOM 1157 CG ASN A 76 14.864 -27.739 16.325 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.912 -28.006 15.124 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.720 -27.651 16.994 1.00 0.00 N ATOM 0 H ASN A 76 15.671 -26.865 19.456 1.00 0.00 H new ATOM 0 HA ASN A 76 15.629 -29.325 18.120 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.118 -26.475 17.512 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.993 -27.564 16.455 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.834 -27.807 16.513 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.727 -27.427 17.989 1.00 0.00 H new ATOM 1166 N SER A 77 18.571 -28.343 19.110 1.00 0.00 N ATOM 1167 CA SER A 77 19.970 -28.735 19.235 1.00 0.00 C ATOM 1168 C SER A 77 20.146 -29.781 20.332 1.00 0.00 C ATOM 1169 O SER A 77 20.758 -30.827 20.115 1.00 0.00 O ATOM 1170 CB SER A 77 20.839 -27.513 19.537 1.00 0.00 C ATOM 1171 OG SER A 77 22.147 -27.675 19.014 1.00 0.00 O ATOM 0 H SER A 77 18.306 -27.539 19.679 1.00 0.00 H new ATOM 0 HA SER A 77 20.285 -29.171 18.287 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.380 -26.622 19.108 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.892 -27.358 20.615 1.00 0.00 H new ATOM 0 HG SER A 77 22.659 -28.276 19.594 1.00 0.00 H new ATOM 1177 N ILE A 78 19.603 -29.491 21.510 1.00 0.00 N ATOM 1178 CA ILE A 78 19.698 -30.405 22.641 1.00 0.00 C ATOM 1179 C ILE A 78 19.237 -31.807 22.254 1.00 0.00 C ATOM 1180 O ILE A 78 19.911 -32.796 22.545 1.00 0.00 O ATOM 1181 CB ILE A 78 18.860 -29.913 23.835 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.317 -28.518 24.266 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.965 -30.892 24.995 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.490 -27.931 25.389 1.00 0.00 C ATOM 0 H ILE A 78 19.093 -28.630 21.706 1.00 0.00 H new ATOM 0 HA ILE A 78 20.748 -30.437 22.934 1.00 0.00 H new ATOM 0 HB ILE A 78 17.816 -29.854 23.528 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.359 -28.567 24.581 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.275 -27.849 23.406 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.367 -30.530 25.832 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.597 -31.869 24.681 1.00 0.00 H new ATOM 0 HG23 ILE A 78 20.007 -30.979 25.304 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.871 -26.942 25.642 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.451 -27.849 25.071 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.552 -28.579 26.264 1.00 0.00 H new ATOM 1196 N HIS A 79 18.086 -31.884 21.595 1.00 0.00 N ATOM 1197 CA HIS A 79 17.535 -33.165 21.166 1.00 0.00 C ATOM 1198 C HIS A 79 18.551 -33.941 20.334 1.00 0.00 C ATOM 1199 O HIS A 79 18.747 -35.140 20.535 1.00 0.00 O ATOM 1200 CB HIS A 79 16.255 -32.949 20.358 1.00 0.00 C ATOM 1201 CG HIS A 79 15.250 -34.047 20.523 1.00 0.00 C ATOM 1202 ND1 HIS A 79 14.392 -34.440 19.518 1.00 0.00 N ATOM 1203 CD2 HIS A 79 14.969 -34.837 21.586 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.626 -35.423 19.955 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.957 -35.684 21.207 1.00 0.00 N ATOM 0 H HIS A 79 17.516 -31.075 21.346 1.00 0.00 H new ATOM 0 HA HIS A 79 17.299 -33.748 22.056 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.801 -32.004 20.657 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.512 -32.859 19.303 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.451 -34.807 22.552 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.859 -35.928 19.386 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.530 -36.399 21.796 1.00 0.00 H new ATOM 1213 N SER A 80 19.195 -33.250 19.399 1.00 0.00 N ATOM 1214 CA SER A 80 20.188 -33.876 18.533 1.00 0.00 C ATOM 1215 C SER A 80 21.470 -34.176 19.304 1.00 0.00 C ATOM 1216 O SER A 80 22.212 -35.096 18.962 1.00 0.00 O ATOM 1217 CB SER A 80 20.498 -32.970 17.339 1.00 0.00 C ATOM 1218 OG SER A 80 19.790 -33.389 16.185 1.00 0.00 O ATOM 0 H SER A 80 19.047 -32.256 19.222 1.00 0.00 H new ATOM 0 HA SER A 80 19.775 -34.817 18.169 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.231 -31.941 17.580 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.569 -32.982 17.137 1.00 0.00 H new ATOM 0 HG SER A 80 20.003 -32.794 15.436 1.00 0.00 H new ATOM 1224 N MET A 81 21.722 -33.392 20.347 1.00 0.00 N ATOM 1225 CA MET A 81 22.914 -33.574 21.168 1.00 0.00 C ATOM 1226 C MET A 81 22.838 -34.879 21.954 1.00 0.00 C ATOM 1227 O MET A 81 23.709 -35.740 21.831 1.00 0.00 O ATOM 1228 CB MET A 81 23.082 -32.395 22.129 1.00 0.00 C ATOM 1229 CG MET A 81 24.256 -31.493 21.785 1.00 0.00 C ATOM 1230 SD MET A 81 24.870 -30.578 23.212 1.00 0.00 S ATOM 1231 CE MET A 81 23.584 -29.346 23.403 1.00 0.00 C ATOM 0 H MET A 81 21.118 -32.626 20.644 1.00 0.00 H new ATOM 0 HA MET A 81 23.778 -33.619 20.505 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.167 -31.803 22.128 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.213 -32.778 23.141 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.063 -32.096 21.370 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.953 -30.789 21.010 1.00 0.00 H new ATOM 0 HE1 MET A 81 23.955 -28.525 24.016 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.296 -28.966 22.423 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.717 -29.797 23.887 1.00 0.00 H new ATOM 1241 N ARG A 82 21.792 -35.018 22.762 1.00 0.00 N ATOM 1242 CA ARG A 82 21.604 -36.218 23.569 1.00 0.00 C ATOM 1243 C ARG A 82 21.692 -37.473 22.706 1.00 0.00 C ATOM 1244 O ARG A 82 22.221 -38.499 23.135 1.00 0.00 O ATOM 1245 CB ARG A 82 20.252 -36.171 24.283 1.00 0.00 C ATOM 1246 CG ARG A 82 19.083 -35.881 23.357 1.00 0.00 C ATOM 1247 CD ARG A 82 17.805 -35.618 24.138 1.00 0.00 C ATOM 1248 NE ARG A 82 16.802 -36.656 23.912 1.00 0.00 N ATOM 1249 CZ ARG A 82 15.690 -36.772 24.629 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.439 -35.917 25.611 1.00 0.00 N ATOM 1251 NH2 ARG A 82 14.826 -37.743 24.363 1.00 0.00 N ATOM 0 H ARG A 82 21.062 -34.315 22.875 1.00 0.00 H new ATOM 0 HA ARG A 82 22.400 -36.253 24.313 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.081 -37.125 24.782 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.287 -35.407 25.060 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.315 -35.016 22.736 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.932 -36.725 22.684 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.035 -35.562 25.202 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.396 -34.650 23.849 1.00 0.00 H new ATOM 0 HE ARG A 82 16.965 -37.328 23.163 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.101 -35.168 25.817 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.584 -36.008 26.160 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.015 -38.401 23.607 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.972 -37.831 24.914 1.00 0.00 H new