USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 259 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 46 CYS SG : rot -162:sc= -6.79! USER MOD Set 1.2: A 47 ASN : amide:sc= -0.0235 K(o=-11,f=-14) USER MOD Set 1.3: A 49 CYS SG : rot -50:sc= -0.625! USER MOD Set 1.4: A 62 HIS : no HD1:sc= -0.98! C(o=-11!,f=-29!) USER MOD Set 1.5: A 66 HIS : no HD1:sc= -2.71! C(o=-11!,f=-17!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 52 SER OG : rot 32:sc= 0.932 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.053) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.1 K(o=-0.1,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 434 N VAL A 30 -14.953 -16.502 4.736 1.00 74.31 N ATOM 435 CA VAL A 30 -15.096 -17.488 3.643 1.00 64.13 C ATOM 436 C VAL A 30 -16.151 -17.056 2.597 1.00 22.42 C ATOM 437 O VAL A 30 -16.066 -17.440 1.428 1.00 73.21 O ATOM 438 CB VAL A 30 -15.431 -18.916 4.223 1.00 73.33 C ATOM 439 CG1 VAL A 30 -14.242 -19.492 5.028 1.00 64.31 C ATOM 440 CG2 VAL A 30 -16.709 -18.877 5.091 1.00 21.45 C ATOM 0 HA VAL A 30 -14.138 -17.537 3.126 1.00 64.13 H new ATOM 0 HB VAL A 30 -15.613 -19.578 3.376 1.00 73.33 H new ATOM 0 HG11 VAL A 30 -14.507 -20.477 5.413 1.00 64.31 H new ATOM 0 HG12 VAL A 30 -13.371 -19.579 4.379 1.00 64.31 H new ATOM 0 HG13 VAL A 30 -14.010 -18.827 5.860 1.00 64.31 H new ATOM 0 HG21 VAL A 30 -16.917 -19.875 5.478 1.00 21.45 H new ATOM 0 HG22 VAL A 30 -16.563 -18.188 5.923 1.00 21.45 H new ATOM 0 HG23 VAL A 30 -17.550 -18.541 4.485 1.00 21.45 H new ATOM 450 N LEU A 31 -17.135 -16.251 3.042 1.00 52.33 N ATOM 451 CA LEU A 31 -18.174 -15.666 2.172 1.00 54.43 C ATOM 452 C LEU A 31 -17.530 -14.620 1.222 1.00 23.44 C ATOM 453 O LEU A 31 -17.843 -14.577 0.033 1.00 62.12 O ATOM 454 CB LEU A 31 -19.296 -15.059 3.078 1.00 25.33 C ATOM 455 CG LEU A 31 -20.668 -14.650 2.410 1.00 61.11 C ATOM 456 CD1 LEU A 31 -21.792 -14.547 3.475 1.00 41.53 C ATOM 457 CD2 LEU A 31 -20.576 -13.317 1.631 1.00 72.15 C ATOM 0 H LEU A 31 -17.232 -15.986 4.022 1.00 52.33 H new ATOM 0 HA LEU A 31 -18.632 -16.425 1.537 1.00 54.43 H new ATOM 0 HB2 LEU A 31 -19.513 -15.781 3.865 1.00 25.33 H new ATOM 0 HB3 LEU A 31 -18.887 -14.173 3.563 1.00 25.33 H new ATOM 0 HG LEU A 31 -20.908 -15.439 1.697 1.00 61.11 H new ATOM 0 HD11 LEU A 31 -22.727 -14.264 2.991 1.00 41.53 H new ATOM 0 HD12 LEU A 31 -21.916 -15.511 3.968 1.00 41.53 H new ATOM 0 HD13 LEU A 31 -21.524 -13.793 4.215 1.00 41.53 H new ATOM 0 HD21 LEU A 31 -21.546 -13.084 1.193 1.00 72.15 H new ATOM 0 HD22 LEU A 31 -20.284 -12.517 2.312 1.00 72.15 H new ATOM 0 HD23 LEU A 31 -19.833 -13.409 0.839 1.00 72.15 H new ATOM 469 N MET A 32 -16.607 -13.814 1.779 1.00 52.22 N ATOM 470 CA MET A 32 -15.842 -12.786 1.041 1.00 13.22 C ATOM 471 C MET A 32 -14.887 -13.433 0.029 1.00 12.23 C ATOM 472 O MET A 32 -14.722 -12.934 -1.088 1.00 32.13 O ATOM 473 CB MET A 32 -15.046 -11.912 2.051 1.00 23.22 C ATOM 474 CG MET A 32 -14.202 -10.795 1.427 1.00 1.53 C ATOM 475 SD MET A 32 -13.251 -9.880 2.666 1.00 51.53 S ATOM 476 CE MET A 32 -12.304 -8.744 1.651 1.00 42.40 C ATOM 0 H MET A 32 -16.367 -13.858 2.769 1.00 52.22 H new ATOM 0 HA MET A 32 -16.540 -12.158 0.487 1.00 13.22 H new ATOM 0 HB2 MET A 32 -15.750 -11.464 2.753 1.00 23.22 H new ATOM 0 HB3 MET A 32 -14.389 -12.561 2.629 1.00 23.22 H new ATOM 0 HG2 MET A 32 -13.520 -11.225 0.693 1.00 1.53 H new ATOM 0 HG3 MET A 32 -14.854 -10.106 0.891 1.00 1.53 H new ATOM 0 HE1 MET A 32 -11.676 -8.122 2.289 1.00 42.40 H new ATOM 0 HE2 MET A 32 -11.675 -9.309 0.963 1.00 42.40 H new ATOM 0 HE3 MET A 32 -12.985 -8.110 1.083 1.00 42.40 H new ATOM 486 N VAL A 33 -14.273 -14.550 0.443 1.00 44.25 N ATOM 487 CA VAL A 33 -13.372 -15.341 -0.415 1.00 63.11 C ATOM 488 C VAL A 33 -14.163 -15.945 -1.597 1.00 44.24 C ATOM 489 O VAL A 33 -13.685 -15.964 -2.736 1.00 53.02 O ATOM 490 CB VAL A 33 -12.671 -16.479 0.417 1.00 23.20 C ATOM 491 CG1 VAL A 33 -11.706 -17.318 -0.444 1.00 62.23 C ATOM 492 CG2 VAL A 33 -11.938 -15.897 1.642 1.00 70.53 C ATOM 0 H VAL A 33 -14.385 -14.933 1.382 1.00 44.25 H new ATOM 0 HA VAL A 33 -12.598 -14.682 -0.809 1.00 63.11 H new ATOM 0 HB VAL A 33 -13.458 -17.146 0.768 1.00 23.20 H new ATOM 0 HG11 VAL A 33 -11.246 -18.090 0.173 1.00 62.23 H new ATOM 0 HG12 VAL A 33 -12.258 -17.786 -1.259 1.00 62.23 H new ATOM 0 HG13 VAL A 33 -10.930 -16.672 -0.855 1.00 62.23 H new ATOM 0 HG21 VAL A 33 -11.463 -16.704 2.199 1.00 70.53 H new ATOM 0 HG22 VAL A 33 -11.178 -15.189 1.309 1.00 70.53 H new ATOM 0 HG23 VAL A 33 -12.654 -15.385 2.285 1.00 70.53 H new ATOM 502 N HIS A 34 -15.390 -16.403 -1.296 1.00 43.31 N ATOM 503 CA HIS A 34 -16.345 -16.937 -2.291 1.00 15.34 C ATOM 504 C HIS A 34 -16.772 -15.842 -3.289 1.00 30.54 C ATOM 505 O HIS A 34 -16.895 -16.090 -4.500 1.00 55.01 O ATOM 506 CB HIS A 34 -17.579 -17.511 -1.548 1.00 31.14 C ATOM 507 CG HIS A 34 -18.702 -17.954 -2.438 1.00 3.13 C ATOM 508 ND1 HIS A 34 -19.870 -17.237 -2.579 1.00 52.24 N ATOM 509 CD2 HIS A 34 -18.832 -19.034 -3.248 1.00 45.03 C ATOM 510 CE1 HIS A 34 -20.661 -17.850 -3.429 1.00 11.21 C ATOM 511 NE2 HIS A 34 -20.061 -18.942 -3.848 1.00 62.31 N ATOM 0 H HIS A 34 -15.754 -16.414 -0.343 1.00 43.31 H new ATOM 0 HA HIS A 34 -15.862 -17.730 -2.862 1.00 15.34 H new ATOM 0 HB2 HIS A 34 -17.258 -18.359 -0.943 1.00 31.14 H new ATOM 0 HB3 HIS A 34 -17.956 -16.753 -0.861 1.00 31.14 H new ATOM 0 HD2 HIS A 34 -18.104 -19.819 -3.393 1.00 45.03 H new ATOM 0 HE1 HIS A 34 -21.641 -17.513 -3.733 1.00 11.21 H new ATOM 0 HE2 HIS A 34 -20.448 -19.613 -4.512 1.00 62.31 H new ATOM 520 N LYS A 35 -16.994 -14.639 -2.747 1.00 11.41 N ATOM 521 CA LYS A 35 -17.397 -13.448 -3.508 1.00 22.22 C ATOM 522 C LYS A 35 -16.277 -13.010 -4.470 1.00 15.10 C ATOM 523 O LYS A 35 -16.529 -12.677 -5.636 1.00 55.21 O ATOM 524 CB LYS A 35 -17.744 -12.310 -2.510 1.00 11.34 C ATOM 525 CG LYS A 35 -18.220 -10.993 -3.155 1.00 40.30 C ATOM 526 CD LYS A 35 -18.433 -9.875 -2.109 1.00 5.10 C ATOM 527 CE LYS A 35 -18.859 -8.541 -2.747 1.00 1.23 C ATOM 528 NZ LYS A 35 -19.004 -7.457 -1.734 1.00 23.04 N ATOM 0 H LYS A 35 -16.897 -14.461 -1.747 1.00 11.41 H new ATOM 0 HA LYS A 35 -18.274 -13.681 -4.112 1.00 22.22 H new ATOM 0 HB2 LYS A 35 -18.521 -12.666 -1.834 1.00 11.34 H new ATOM 0 HB3 LYS A 35 -16.864 -12.101 -1.902 1.00 11.34 H new ATOM 0 HG2 LYS A 35 -17.486 -10.665 -3.891 1.00 40.30 H new ATOM 0 HG3 LYS A 35 -19.152 -11.169 -3.691 1.00 40.30 H new ATOM 0 HD2 LYS A 35 -19.193 -10.191 -1.395 1.00 5.10 H new ATOM 0 HD3 LYS A 35 -17.510 -9.727 -1.548 1.00 5.10 H new ATOM 0 HE2 LYS A 35 -18.121 -8.244 -3.492 1.00 1.23 H new ATOM 0 HE3 LYS A 35 -19.805 -8.676 -3.271 1.00 1.23 H new ATOM 0 HZ1 LYS A 35 -19.292 -6.576 -2.207 1.00 23.04 H new ATOM 0 HZ2 LYS A 35 -19.726 -7.728 -1.037 1.00 23.04 H new ATOM 0 HZ3 LYS A 35 -18.095 -7.309 -1.251 1.00 23.04 H new ATOM 542 N ARG A 36 -15.038 -13.063 -3.962 1.00 31.32 N ATOM 543 CA ARG A 36 -13.833 -12.678 -4.713 1.00 5.51 C ATOM 544 C ARG A 36 -13.514 -13.720 -5.808 1.00 22.43 C ATOM 545 O ARG A 36 -13.001 -13.376 -6.880 1.00 51.52 O ATOM 546 CB ARG A 36 -12.644 -12.518 -3.723 1.00 63.41 C ATOM 547 CG ARG A 36 -11.306 -12.094 -4.376 1.00 24.13 C ATOM 548 CD ARG A 36 -11.366 -10.700 -5.054 1.00 32.24 C ATOM 549 NE ARG A 36 -10.165 -10.432 -5.866 1.00 71.34 N ATOM 550 CZ ARG A 36 -9.875 -9.277 -6.476 1.00 74.40 C ATOM 551 NH1 ARG A 36 -10.693 -8.221 -6.385 1.00 2.14 N ATOM 552 NH2 ARG A 36 -8.762 -9.206 -7.208 1.00 51.52 N ATOM 0 H ARG A 36 -14.841 -13.376 -3.011 1.00 31.32 H new ATOM 0 HA ARG A 36 -14.007 -11.726 -5.214 1.00 5.51 H new ATOM 0 HB2 ARG A 36 -12.914 -11.778 -2.969 1.00 63.41 H new ATOM 0 HB3 ARG A 36 -12.494 -13.464 -3.202 1.00 63.41 H new ATOM 0 HG2 ARG A 36 -10.525 -12.087 -3.615 1.00 24.13 H new ATOM 0 HG3 ARG A 36 -11.020 -12.839 -5.119 1.00 24.13 H new ATOM 0 HD2 ARG A 36 -12.252 -10.641 -5.686 1.00 32.24 H new ATOM 0 HD3 ARG A 36 -11.468 -9.929 -4.290 1.00 32.24 H new ATOM 0 HE ARG A 36 -9.496 -11.195 -5.972 1.00 71.34 H new ATOM 0 HH11 ARG A 36 -11.555 -8.289 -5.843 1.00 2.14 H new ATOM 0 HH12 ARG A 36 -10.454 -7.349 -6.857 1.00 2.14 H new ATOM 0 HH21 ARG A 36 -8.154 -10.021 -7.293 1.00 51.52 H new ATOM 0 HH22 ARG A 36 -8.519 -8.337 -7.683 1.00 51.52 H new ATOM 566 N SER A 37 -13.841 -14.990 -5.522 1.00 14.42 N ATOM 567 CA SER A 37 -13.672 -16.105 -6.471 1.00 74.42 C ATOM 568 C SER A 37 -14.648 -15.963 -7.656 1.00 50.44 C ATOM 569 O SER A 37 -14.337 -16.386 -8.778 1.00 43.52 O ATOM 570 CB SER A 37 -13.902 -17.446 -5.738 1.00 23.32 C ATOM 571 OG SER A 37 -13.616 -18.567 -6.568 1.00 62.33 O ATOM 0 H SER A 37 -14.231 -15.275 -4.624 1.00 14.42 H new ATOM 0 HA SER A 37 -12.657 -16.083 -6.867 1.00 74.42 H new ATOM 0 HB2 SER A 37 -13.273 -17.485 -4.848 1.00 23.32 H new ATOM 0 HB3 SER A 37 -14.937 -17.501 -5.400 1.00 23.32 H new ATOM 0 HG SER A 37 -13.773 -19.394 -6.066 1.00 62.33 H new ATOM 669 N PHE A 44 -6.531 -13.344 -20.512 1.00 31.41 N ATOM 670 CA PHE A 44 -5.547 -14.038 -21.376 1.00 32.34 C ATOM 671 C PHE A 44 -4.102 -13.772 -20.890 1.00 71.54 C ATOM 672 O PHE A 44 -3.884 -12.986 -19.964 1.00 42.45 O ATOM 673 CB PHE A 44 -5.704 -13.564 -22.843 1.00 43.33 C ATOM 674 CG PHE A 44 -7.130 -13.576 -23.344 1.00 2.35 C ATOM 675 CD1 PHE A 44 -7.781 -14.780 -23.577 1.00 42.33 C ATOM 676 CD2 PHE A 44 -7.830 -12.387 -23.555 1.00 72.10 C ATOM 677 CE1 PHE A 44 -9.085 -14.799 -24.001 1.00 54.42 C ATOM 678 CE2 PHE A 44 -9.139 -12.406 -23.972 1.00 65.44 C ATOM 679 CZ PHE A 44 -9.765 -13.612 -24.201 1.00 64.12 C ATOM 0 HA PHE A 44 -5.738 -15.110 -21.320 1.00 32.34 H new ATOM 0 HB2 PHE A 44 -5.307 -12.553 -22.932 1.00 43.33 H new ATOM 0 HB3 PHE A 44 -5.098 -14.202 -23.487 1.00 43.33 H new ATOM 0 HD1 PHE A 44 -7.255 -15.711 -23.423 1.00 42.33 H new ATOM 0 HD2 PHE A 44 -7.337 -11.441 -23.388 1.00 72.10 H new ATOM 0 HE1 PHE A 44 -9.581 -15.742 -24.179 1.00 54.42 H new ATOM 0 HE2 PHE A 44 -9.675 -11.480 -24.120 1.00 65.44 H new ATOM 0 HZ PHE A 44 -10.791 -13.630 -24.538 1.00 64.12 H new ATOM 689 N HIS A 45 -3.126 -14.415 -21.542 1.00 21.15 N ATOM 690 CA HIS A 45 -1.689 -14.286 -21.216 1.00 74.44 C ATOM 691 C HIS A 45 -0.898 -14.116 -22.518 1.00 34.54 C ATOM 692 O HIS A 45 -1.372 -14.522 -23.591 1.00 51.24 O ATOM 693 CB HIS A 45 -1.192 -15.543 -20.454 1.00 60.22 C ATOM 694 CG HIS A 45 -1.221 -16.807 -21.275 1.00 11.23 C ATOM 695 ND1 HIS A 45 -2.365 -17.532 -21.490 1.00 2.43 N ATOM 696 CD2 HIS A 45 -0.247 -17.448 -21.976 1.00 42.43 C ATOM 697 CE1 HIS A 45 -2.103 -18.552 -22.274 1.00 64.45 C ATOM 698 NE2 HIS A 45 -0.827 -18.527 -22.584 1.00 3.15 N ATOM 0 H HIS A 45 -3.307 -15.048 -22.321 1.00 21.15 H new ATOM 0 HA HIS A 45 -1.540 -13.416 -20.576 1.00 74.44 H new ATOM 0 HB2 HIS A 45 -0.172 -15.368 -20.111 1.00 60.22 H new ATOM 0 HB3 HIS A 45 -1.808 -15.684 -19.566 1.00 60.22 H new ATOM 0 HD2 HIS A 45 0.791 -17.158 -22.040 1.00 42.43 H new ATOM 0 HE1 HIS A 45 -2.818 -19.289 -22.608 1.00 64.45 H new ATOM 0 HE2 HIS A 45 -0.347 -19.201 -23.180 1.00 3.15 H new ATOM 707 N CYS A 46 0.299 -13.537 -22.417 1.00 3.41 N ATOM 708 CA CYS A 46 1.217 -13.401 -23.552 1.00 74.12 C ATOM 709 C CYS A 46 1.866 -14.770 -23.870 1.00 63.42 C ATOM 710 O CYS A 46 1.252 -15.595 -24.558 1.00 40.42 O ATOM 711 CB CYS A 46 2.266 -12.319 -23.226 1.00 12.45 C ATOM 712 SG CYS A 46 3.717 -12.276 -24.327 1.00 41.24 S ATOM 0 H CYS A 46 0.661 -13.148 -21.546 1.00 3.41 H new ATOM 0 HA CYS A 46 0.676 -13.086 -24.444 1.00 74.12 H new ATOM 0 HB2 CYS A 46 1.779 -11.344 -23.257 1.00 12.45 H new ATOM 0 HB3 CYS A 46 2.612 -12.470 -22.203 1.00 12.45 H new ATOM 0 HG CYS A 46 4.681 -11.624 -23.749 1.00 41.24 H new ATOM 717 N ASN A 47 3.073 -15.038 -23.306 1.00 11.04 N ATOM 718 CA ASN A 47 3.840 -16.280 -23.550 1.00 31.14 C ATOM 719 C ASN A 47 4.712 -16.583 -22.315 1.00 74.55 C ATOM 720 O ASN A 47 4.521 -17.604 -21.638 1.00 35.11 O ATOM 721 CB ASN A 47 4.729 -16.183 -24.838 1.00 43.14 C ATOM 722 CG ASN A 47 3.935 -16.107 -26.150 1.00 43.03 C ATOM 723 OD1 ASN A 47 3.591 -15.025 -26.629 1.00 71.44 O ATOM 724 ND2 ASN A 47 3.635 -17.250 -26.738 1.00 72.33 N ATOM 0 H ASN A 47 3.540 -14.394 -22.668 1.00 11.04 H new ATOM 0 HA ASN A 47 3.132 -17.092 -23.716 1.00 31.14 H new ATOM 0 HB2 ASN A 47 5.365 -15.301 -24.760 1.00 43.14 H new ATOM 0 HB3 ASN A 47 5.389 -17.050 -24.876 1.00 43.14 H new ATOM 0 HD21 ASN A 47 3.106 -17.251 -27.610 1.00 72.33 H new ATOM 0 HD22 ASN A 47 3.932 -18.132 -26.320 1.00 72.33 H new ATOM 731 N GLN A 48 5.642 -15.657 -22.002 1.00 12.22 N ATOM 732 CA GLN A 48 6.589 -15.810 -20.863 1.00 64.10 C ATOM 733 C GLN A 48 6.921 -14.460 -20.178 1.00 63.42 C ATOM 734 O GLN A 48 7.441 -14.451 -19.060 1.00 10.24 O ATOM 735 CB GLN A 48 7.906 -16.501 -21.327 1.00 73.52 C ATOM 736 CG GLN A 48 8.689 -15.719 -22.396 1.00 41.11 C ATOM 737 CD GLN A 48 10.035 -16.340 -22.776 1.00 42.25 C ATOM 738 OE1 GLN A 48 10.220 -17.552 -22.717 1.00 23.04 O ATOM 739 NE2 GLN A 48 10.985 -15.507 -23.163 1.00 33.32 N ATOM 0 H GLN A 48 5.762 -14.788 -22.522 1.00 12.22 H new ATOM 0 HA GLN A 48 6.087 -16.438 -20.127 1.00 64.10 H new ATOM 0 HB2 GLN A 48 8.549 -16.651 -20.460 1.00 73.52 H new ATOM 0 HB3 GLN A 48 7.665 -17.489 -21.720 1.00 73.52 H new ATOM 0 HG2 GLN A 48 8.074 -15.638 -23.292 1.00 41.11 H new ATOM 0 HG3 GLN A 48 8.860 -14.705 -22.034 1.00 41.11 H new ATOM 0 HE21 GLN A 48 10.800 -14.505 -23.201 1.00 33.32 H new ATOM 0 HE22 GLN A 48 11.903 -15.866 -23.423 1.00 33.32 H new ATOM 748 N CYS A 49 6.576 -13.332 -20.830 1.00 5.33 N ATOM 749 CA CYS A 49 7.019 -11.965 -20.406 1.00 30.13 C ATOM 750 C CYS A 49 6.292 -11.445 -19.141 1.00 32.44 C ATOM 751 O CYS A 49 6.626 -10.355 -18.645 1.00 10.03 O ATOM 752 CB CYS A 49 6.859 -10.962 -21.589 1.00 23.31 C ATOM 753 SG CYS A 49 5.171 -10.841 -22.249 1.00 50.12 S ATOM 0 H CYS A 49 5.986 -13.329 -21.662 1.00 5.33 H new ATOM 0 HA CYS A 49 8.071 -12.046 -20.133 1.00 30.13 H new ATOM 0 HB2 CYS A 49 7.178 -9.974 -21.257 1.00 23.31 H new ATOM 0 HB3 CYS A 49 7.530 -11.259 -22.395 1.00 23.31 H new ATOM 0 HG CYS A 49 4.714 -12.033 -22.493 1.00 50.12 H new ATOM 758 N GLY A 50 5.334 -12.233 -18.621 1.00 64.34 N ATOM 759 CA GLY A 50 4.556 -11.864 -17.442 1.00 72.55 C ATOM 760 C GLY A 50 3.528 -10.794 -17.755 1.00 54.42 C ATOM 761 O GLY A 50 3.210 -9.958 -16.907 1.00 2.21 O ATOM 0 H GLY A 50 5.083 -13.141 -19.012 1.00 64.34 H new ATOM 0 HA2 GLY A 50 4.053 -12.747 -17.048 1.00 72.55 H new ATOM 0 HA3 GLY A 50 5.227 -11.505 -16.662 1.00 72.55 H new ATOM 765 N ALA A 51 3.015 -10.816 -18.993 1.00 53.24 N ATOM 766 CA ALA A 51 1.994 -9.874 -19.460 1.00 40.01 C ATOM 767 C ALA A 51 0.651 -10.595 -19.602 1.00 21.12 C ATOM 768 O ALA A 51 0.556 -11.592 -20.324 1.00 65.14 O ATOM 769 CB ALA A 51 2.427 -9.252 -20.795 1.00 61.50 C ATOM 0 H ALA A 51 3.300 -11.493 -19.701 1.00 53.24 H new ATOM 0 HA ALA A 51 1.879 -9.072 -18.731 1.00 40.01 H new ATOM 0 HB1 ALA A 51 1.663 -8.553 -21.136 1.00 61.50 H new ATOM 0 HB2 ALA A 51 3.370 -8.722 -20.661 1.00 61.50 H new ATOM 0 HB3 ALA A 51 2.556 -10.039 -21.538 1.00 61.50 H new ATOM 775 N SER A 52 -0.370 -10.097 -18.894 1.00 34.34 N ATOM 776 CA SER A 52 -1.736 -10.640 -18.938 1.00 30.32 C ATOM 777 C SER A 52 -2.677 -9.579 -19.537 1.00 73.44 C ATOM 778 O SER A 52 -2.637 -8.411 -19.125 1.00 4.24 O ATOM 779 CB SER A 52 -2.175 -11.055 -17.508 1.00 55.52 C ATOM 780 OG SER A 52 -3.476 -11.618 -17.505 1.00 1.22 O ATOM 0 H SER A 52 -0.272 -9.298 -18.268 1.00 34.34 H new ATOM 0 HA SER A 52 -1.775 -11.528 -19.569 1.00 30.32 H new ATOM 0 HB2 SER A 52 -1.465 -11.776 -17.104 1.00 55.52 H new ATOM 0 HB3 SER A 52 -2.153 -10.184 -16.853 1.00 55.52 H new ATOM 0 HG SER A 52 -3.630 -12.091 -18.349 1.00 1.22 H new ATOM 786 N PHE A 53 -3.511 -9.970 -20.520 1.00 11.50 N ATOM 787 CA PHE A 53 -4.416 -9.037 -21.234 1.00 2.31 C ATOM 788 C PHE A 53 -5.834 -9.603 -21.256 1.00 64.44 C ATOM 789 O PHE A 53 -6.019 -10.782 -21.497 1.00 12.43 O ATOM 790 CB PHE A 53 -3.935 -8.811 -22.695 1.00 31.13 C ATOM 791 CG PHE A 53 -2.567 -8.132 -22.803 1.00 45.00 C ATOM 792 CD1 PHE A 53 -2.447 -6.742 -22.696 1.00 44.23 C ATOM 793 CD2 PHE A 53 -1.398 -8.878 -22.987 1.00 3.33 C ATOM 794 CE1 PHE A 53 -1.209 -6.125 -22.780 1.00 1.32 C ATOM 795 CE2 PHE A 53 -0.166 -8.254 -23.066 1.00 41.52 C ATOM 796 CZ PHE A 53 -0.072 -6.882 -22.962 1.00 23.23 C ATOM 0 H PHE A 53 -3.579 -10.935 -20.843 1.00 11.50 H new ATOM 0 HA PHE A 53 -4.406 -8.083 -20.706 1.00 2.31 H new ATOM 0 HB2 PHE A 53 -3.893 -9.773 -23.206 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -4.673 -8.204 -23.220 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -3.332 -6.141 -22.546 1.00 44.23 H new ATOM 0 HD2 PHE A 53 -1.458 -9.953 -23.068 1.00 3.33 H new ATOM 0 HE1 PHE A 53 -1.135 -5.050 -22.703 1.00 1.32 H new ATOM 0 HE2 PHE A 53 0.727 -8.844 -23.210 1.00 41.52 H new ATOM 0 HZ PHE A 53 0.893 -6.401 -23.023 1.00 23.23 H new ATOM 806 N THR A 54 -6.825 -8.754 -20.989 1.00 52.14 N ATOM 807 CA THR A 54 -8.241 -9.090 -21.233 1.00 71.22 C ATOM 808 C THR A 54 -8.657 -8.595 -22.627 1.00 62.05 C ATOM 809 O THR A 54 -9.623 -9.102 -23.214 1.00 31.34 O ATOM 810 CB THR A 54 -9.186 -8.482 -20.143 1.00 11.14 C ATOM 811 OG1 THR A 54 -10.562 -8.856 -20.384 1.00 73.34 O ATOM 812 CG2 THR A 54 -9.078 -6.949 -20.074 1.00 13.22 C ATOM 0 H THR A 54 -6.680 -7.822 -20.601 1.00 52.14 H new ATOM 0 HA THR A 54 -8.339 -10.174 -21.180 1.00 71.22 H new ATOM 0 HB THR A 54 -8.861 -8.891 -19.186 1.00 11.14 H new ATOM 0 HG1 THR A 54 -11.133 -8.466 -19.690 1.00 73.34 H new ATOM 0 HG21 THR A 54 -9.751 -6.571 -19.304 1.00 13.22 H new ATOM 0 HG22 THR A 54 -8.054 -6.667 -19.831 1.00 13.22 H new ATOM 0 HG23 THR A 54 -9.353 -6.521 -21.038 1.00 13.22 H new ATOM 820 N GLN A 55 -7.904 -7.608 -23.150 1.00 34.14 N ATOM 821 CA GLN A 55 -8.145 -7.012 -24.456 1.00 30.52 C ATOM 822 C GLN A 55 -7.477 -7.871 -25.535 1.00 72.00 C ATOM 823 O GLN A 55 -6.246 -8.005 -25.545 1.00 42.41 O ATOM 824 CB GLN A 55 -7.595 -5.566 -24.490 1.00 34.12 C ATOM 825 CG GLN A 55 -8.305 -4.574 -23.544 1.00 44.35 C ATOM 826 CD GLN A 55 -9.816 -4.411 -23.790 1.00 21.32 C ATOM 827 OE1 GLN A 55 -10.575 -4.141 -22.858 1.00 21.03 O ATOM 828 NE2 GLN A 55 -10.265 -4.541 -25.034 1.00 20.10 N ATOM 0 H GLN A 55 -7.104 -7.205 -22.662 1.00 34.14 H new ATOM 0 HA GLN A 55 -9.217 -6.972 -24.648 1.00 30.52 H new ATOM 0 HB2 GLN A 55 -6.535 -5.591 -24.237 1.00 34.12 H new ATOM 0 HB3 GLN A 55 -7.670 -5.189 -25.510 1.00 34.12 H new ATOM 0 HG2 GLN A 55 -8.153 -4.903 -22.516 1.00 44.35 H new ATOM 0 HG3 GLN A 55 -7.829 -3.598 -23.641 1.00 44.35 H new ATOM 0 HE21 GLN A 55 -9.617 -4.765 -25.789 1.00 20.10 H new ATOM 0 HE22 GLN A 55 -11.258 -4.417 -25.234 1.00 20.10 H new ATOM 837 N LYS A 56 -8.302 -8.440 -26.433 1.00 62.43 N ATOM 838 CA LYS A 56 -7.834 -9.302 -27.524 1.00 3.31 C ATOM 839 C LYS A 56 -7.029 -8.502 -28.543 1.00 21.23 C ATOM 840 O LYS A 56 -6.031 -8.984 -29.021 1.00 73.20 O ATOM 841 CB LYS A 56 -9.029 -10.017 -28.203 1.00 42.11 C ATOM 842 CG LYS A 56 -9.869 -10.864 -27.229 1.00 32.23 C ATOM 843 CD LYS A 56 -10.991 -11.652 -27.936 1.00 3.42 C ATOM 844 CE LYS A 56 -11.888 -12.406 -26.940 1.00 22.42 C ATOM 845 NZ LYS A 56 -12.923 -13.237 -27.619 1.00 24.11 N ATOM 0 H LYS A 56 -9.314 -8.312 -26.419 1.00 62.43 H new ATOM 0 HA LYS A 56 -7.177 -10.062 -27.100 1.00 3.31 H new ATOM 0 HB2 LYS A 56 -9.671 -9.271 -28.671 1.00 42.11 H new ATOM 0 HB3 LYS A 56 -8.654 -10.659 -29.000 1.00 42.11 H new ATOM 0 HG2 LYS A 56 -9.216 -11.562 -26.705 1.00 32.23 H new ATOM 0 HG3 LYS A 56 -10.309 -10.212 -26.474 1.00 32.23 H new ATOM 0 HD2 LYS A 56 -11.600 -10.965 -28.523 1.00 3.42 H new ATOM 0 HD3 LYS A 56 -10.549 -12.363 -28.634 1.00 3.42 H new ATOM 0 HE2 LYS A 56 -11.269 -13.045 -26.311 1.00 22.42 H new ATOM 0 HE3 LYS A 56 -12.377 -11.688 -26.282 1.00 22.42 H new ATOM 0 HZ1 LYS A 56 -13.501 -13.724 -26.904 1.00 24.11 H new ATOM 0 HZ2 LYS A 56 -13.533 -12.626 -28.199 1.00 24.11 H new ATOM 0 HZ3 LYS A 56 -12.459 -13.941 -28.227 1.00 24.11 H new ATOM 859 N GLY A 57 -7.452 -7.260 -28.832 1.00 2.33 N ATOM 860 CA GLY A 57 -6.724 -6.396 -29.773 1.00 63.23 C ATOM 861 C GLY A 57 -5.344 -5.987 -29.265 1.00 10.55 C ATOM 862 O GLY A 57 -4.414 -5.797 -30.053 1.00 33.41 O ATOM 0 H GLY A 57 -8.288 -6.835 -28.430 1.00 2.33 H new ATOM 0 HA2 GLY A 57 -6.615 -6.916 -30.725 1.00 63.23 H new ATOM 0 HA3 GLY A 57 -7.314 -5.500 -29.965 1.00 63.23 H new ATOM 866 N ASN A 58 -5.214 -5.855 -27.932 1.00 1.51 N ATOM 867 CA ASN A 58 -3.928 -5.522 -27.290 1.00 10.01 C ATOM 868 C ASN A 58 -3.050 -6.775 -27.190 1.00 53.03 C ATOM 869 O ASN A 58 -1.831 -6.697 -27.352 1.00 22.43 O ATOM 870 CB ASN A 58 -4.141 -4.884 -25.889 1.00 3.42 C ATOM 871 CG ASN A 58 -4.919 -3.554 -25.921 1.00 33.21 C ATOM 872 OD1 ASN A 58 -5.858 -3.374 -26.695 1.00 73.33 O ATOM 873 ND2 ASN A 58 -4.528 -2.603 -25.091 1.00 60.33 N ATOM 0 H ASN A 58 -5.986 -5.974 -27.276 1.00 1.51 H new ATOM 0 HA ASN A 58 -3.419 -4.784 -27.910 1.00 10.01 H new ATOM 0 HB2 ASN A 58 -4.676 -5.592 -25.256 1.00 3.42 H new ATOM 0 HB3 ASN A 58 -3.169 -4.714 -25.426 1.00 3.42 H new ATOM 0 HD21 ASN A 58 -5.007 -1.702 -25.085 1.00 60.33 H new ATOM 0 HD22 ASN A 58 -3.747 -2.770 -24.456 1.00 60.33 H new ATOM 880 N LEU A 59 -3.695 -7.931 -26.942 1.00 5.20 N ATOM 881 CA LEU A 59 -3.013 -9.230 -26.854 1.00 23.32 C ATOM 882 C LEU A 59 -2.434 -9.632 -28.213 1.00 54.45 C ATOM 883 O LEU A 59 -1.267 -10.003 -28.307 1.00 41.33 O ATOM 884 CB LEU A 59 -3.992 -10.339 -26.384 1.00 35.12 C ATOM 885 CG LEU A 59 -3.361 -11.765 -26.252 1.00 61.24 C ATOM 886 CD1 LEU A 59 -2.356 -11.831 -25.086 1.00 43.43 C ATOM 887 CD2 LEU A 59 -4.445 -12.854 -26.137 1.00 52.01 C ATOM 0 H LEU A 59 -4.703 -7.987 -26.798 1.00 5.20 H new ATOM 0 HA LEU A 59 -2.207 -9.125 -26.128 1.00 23.32 H new ATOM 0 HB2 LEU A 59 -4.407 -10.051 -25.418 1.00 35.12 H new ATOM 0 HB3 LEU A 59 -4.824 -10.390 -27.086 1.00 35.12 H new ATOM 0 HG LEU A 59 -2.804 -11.963 -27.168 1.00 61.24 H new ATOM 0 HD11 LEU A 59 -1.937 -12.835 -25.023 1.00 43.43 H new ATOM 0 HD12 LEU A 59 -1.554 -11.113 -25.256 1.00 43.43 H new ATOM 0 HD13 LEU A 59 -2.865 -11.591 -24.153 1.00 43.43 H new ATOM 0 HD21 LEU A 59 -3.971 -13.831 -26.047 1.00 52.01 H new ATOM 0 HD22 LEU A 59 -5.058 -12.666 -25.256 1.00 52.01 H new ATOM 0 HD23 LEU A 59 -5.074 -12.837 -27.027 1.00 52.01 H new ATOM 899 N LEU A 60 -3.278 -9.539 -29.254 1.00 51.02 N ATOM 900 CA LEU A 60 -2.940 -9.964 -30.618 1.00 34.54 C ATOM 901 C LEU A 60 -1.814 -9.101 -31.192 1.00 70.41 C ATOM 902 O LEU A 60 -0.963 -9.617 -31.912 1.00 35.11 O ATOM 903 CB LEU A 60 -4.191 -9.935 -31.538 1.00 54.43 C ATOM 904 CG LEU A 60 -5.320 -10.970 -31.217 1.00 70.25 C ATOM 905 CD1 LEU A 60 -6.524 -10.796 -32.175 1.00 21.20 C ATOM 906 CD2 LEU A 60 -4.781 -12.415 -31.253 1.00 73.43 C ATOM 0 H LEU A 60 -4.222 -9.163 -29.169 1.00 51.02 H new ATOM 0 HA LEU A 60 -2.586 -10.994 -30.573 1.00 34.54 H new ATOM 0 HB2 LEU A 60 -4.623 -8.935 -31.495 1.00 54.43 H new ATOM 0 HB3 LEU A 60 -3.863 -10.096 -32.565 1.00 54.43 H new ATOM 0 HG LEU A 60 -5.671 -10.775 -30.204 1.00 70.25 H new ATOM 0 HD11 LEU A 60 -7.293 -11.528 -31.929 1.00 21.20 H new ATOM 0 HD12 LEU A 60 -6.932 -9.791 -32.068 1.00 21.20 H new ATOM 0 HD13 LEU A 60 -6.195 -10.946 -33.203 1.00 21.20 H new ATOM 0 HD21 LEU A 60 -5.589 -13.110 -31.026 1.00 73.43 H new ATOM 0 HD22 LEU A 60 -4.384 -12.631 -32.245 1.00 73.43 H new ATOM 0 HD23 LEU A 60 -3.988 -12.526 -30.513 1.00 73.43 H new ATOM 918 N ARG A 61 -1.811 -7.804 -30.840 1.00 71.34 N ATOM 919 CA ARG A 61 -0.710 -6.893 -31.193 1.00 25.42 C ATOM 920 C ARG A 61 0.570 -7.320 -30.455 1.00 72.32 C ATOM 921 O ARG A 61 1.627 -7.430 -31.062 1.00 50.31 O ATOM 922 CB ARG A 61 -1.040 -5.424 -30.829 1.00 23.12 C ATOM 923 CG ARG A 61 0.067 -4.413 -31.241 1.00 20.23 C ATOM 924 CD ARG A 61 -0.017 -3.066 -30.503 1.00 32.30 C ATOM 925 NE ARG A 61 -1.284 -2.362 -30.728 1.00 74.34 N ATOM 926 CZ ARG A 61 -1.630 -1.199 -30.163 1.00 33.40 C ATOM 927 NH1 ARG A 61 -0.823 -0.551 -29.329 1.00 2.34 N ATOM 928 NH2 ARG A 61 -2.811 -0.675 -30.436 1.00 33.01 N ATOM 0 H ARG A 61 -2.562 -7.362 -30.309 1.00 71.34 H new ATOM 0 HA ARG A 61 -0.565 -6.952 -32.272 1.00 25.42 H new ATOM 0 HB2 ARG A 61 -1.976 -5.141 -31.311 1.00 23.12 H new ATOM 0 HB3 ARG A 61 -1.202 -5.353 -29.753 1.00 23.12 H new ATOM 0 HG2 ARG A 61 1.043 -4.860 -31.052 1.00 20.23 H new ATOM 0 HG3 ARG A 61 0.001 -4.234 -32.314 1.00 20.23 H new ATOM 0 HD2 ARG A 61 0.112 -3.236 -29.434 1.00 32.30 H new ATOM 0 HD3 ARG A 61 0.807 -2.430 -30.826 1.00 32.30 H new ATOM 0 HE ARG A 61 -1.954 -2.793 -31.365 1.00 74.34 H new ATOM 0 HH11 ARG A 61 0.093 -0.938 -29.101 1.00 2.34 H new ATOM 0 HH12 ARG A 61 -1.119 0.334 -28.917 1.00 2.34 H new ATOM 0 HH21 ARG A 61 -3.448 -1.156 -31.071 1.00 33.01 H new ATOM 0 HH22 ARG A 61 -3.086 0.211 -30.012 1.00 33.01 H new ATOM 942 N HIS A 62 0.433 -7.582 -29.137 1.00 52.43 N ATOM 943 CA HIS A 62 1.565 -7.903 -28.249 1.00 25.43 C ATOM 944 C HIS A 62 2.301 -9.176 -28.717 1.00 53.44 C ATOM 945 O HIS A 62 3.515 -9.145 -28.936 1.00 52.21 O ATOM 946 CB HIS A 62 1.057 -8.070 -26.793 1.00 63.44 C ATOM 947 CG HIS A 62 2.115 -8.370 -25.772 1.00 52.41 C ATOM 948 ND1 HIS A 62 2.667 -7.426 -24.943 1.00 43.22 N ATOM 949 CD2 HIS A 62 2.678 -9.550 -25.418 1.00 44.32 C ATOM 950 CE1 HIS A 62 3.528 -8.042 -24.133 1.00 1.10 C ATOM 951 NE2 HIS A 62 3.588 -9.343 -24.381 1.00 11.23 N ATOM 0 H HIS A 62 -0.469 -7.576 -28.661 1.00 52.43 H new ATOM 0 HA HIS A 62 2.278 -7.079 -28.287 1.00 25.43 H new ATOM 0 HB2 HIS A 62 0.541 -7.156 -26.499 1.00 63.44 H new ATOM 0 HB3 HIS A 62 0.319 -8.872 -26.773 1.00 63.44 H new ATOM 0 HD2 HIS A 62 2.456 -10.506 -25.870 1.00 44.32 H new ATOM 0 HE1 HIS A 62 4.105 -7.543 -23.369 1.00 1.10 H new ATOM 0 HE2 HIS A 62 4.171 -10.039 -23.916 1.00 11.23 H new ATOM 959 N ILE A 63 1.547 -10.275 -28.892 1.00 43.31 N ATOM 960 CA ILE A 63 2.091 -11.583 -29.320 1.00 73.00 C ATOM 961 C ILE A 63 2.611 -11.522 -30.770 1.00 33.23 C ATOM 962 O ILE A 63 3.485 -12.306 -31.148 1.00 33.12 O ATOM 963 CB ILE A 63 1.039 -12.748 -29.137 1.00 11.10 C ATOM 964 CG1 ILE A 63 -0.205 -12.541 -30.063 1.00 32.14 C ATOM 965 CG2 ILE A 63 0.604 -12.855 -27.653 1.00 42.34 C ATOM 966 CD1 ILE A 63 -1.328 -13.564 -29.914 1.00 32.23 C ATOM 0 H ILE A 63 0.538 -10.285 -28.741 1.00 43.31 H new ATOM 0 HA ILE A 63 2.936 -11.809 -28.670 1.00 73.00 H new ATOM 0 HB ILE A 63 1.518 -13.683 -29.429 1.00 11.10 H new ATOM 0 HG12 ILE A 63 -0.615 -11.550 -29.870 1.00 32.14 H new ATOM 0 HG13 ILE A 63 0.133 -12.550 -31.099 1.00 32.14 H new ATOM 0 HG21 ILE A 63 -0.121 -13.662 -27.544 1.00 42.34 H new ATOM 0 HG22 ILE A 63 1.476 -13.063 -27.032 1.00 42.34 H new ATOM 0 HG23 ILE A 63 0.151 -11.915 -27.338 1.00 42.34 H new ATOM 0 HD11 ILE A 63 -2.136 -13.321 -30.604 1.00 32.23 H new ATOM 0 HD12 ILE A 63 -0.946 -14.559 -30.140 1.00 32.23 H new ATOM 0 HD13 ILE A 63 -1.706 -13.544 -28.892 1.00 32.23 H new ATOM 978 N LYS A 64 2.049 -10.592 -31.572 1.00 34.23 N ATOM 979 CA LYS A 64 2.537 -10.293 -32.931 1.00 14.05 C ATOM 980 C LYS A 64 3.946 -9.663 -32.838 1.00 41.23 C ATOM 981 O LYS A 64 4.852 -10.081 -33.545 1.00 52.24 O ATOM 982 CB LYS A 64 1.515 -9.361 -33.669 1.00 62.24 C ATOM 983 CG LYS A 64 1.591 -9.302 -35.222 1.00 11.04 C ATOM 984 CD LYS A 64 2.800 -8.528 -35.792 1.00 23.05 C ATOM 985 CE LYS A 64 2.825 -7.048 -35.376 1.00 30.24 C ATOM 986 NZ LYS A 64 4.006 -6.338 -35.944 1.00 14.12 N ATOM 0 H LYS A 64 1.245 -10.029 -31.294 1.00 34.23 H new ATOM 0 HA LYS A 64 2.619 -11.209 -33.517 1.00 14.05 H new ATOM 0 HB2 LYS A 64 0.510 -9.679 -33.393 1.00 62.24 H new ATOM 0 HB3 LYS A 64 1.646 -8.349 -33.287 1.00 62.24 H new ATOM 0 HG2 LYS A 64 1.618 -10.321 -35.608 1.00 11.04 H new ATOM 0 HG3 LYS A 64 0.676 -8.843 -35.597 1.00 11.04 H new ATOM 0 HD2 LYS A 64 3.720 -9.008 -35.458 1.00 23.05 H new ATOM 0 HD3 LYS A 64 2.784 -8.592 -36.880 1.00 23.05 H new ATOM 0 HE2 LYS A 64 1.910 -6.560 -35.712 1.00 30.24 H new ATOM 0 HE3 LYS A 64 2.845 -6.975 -34.289 1.00 30.24 H new ATOM 0 HZ1 LYS A 64 3.990 -5.343 -35.643 1.00 14.12 H new ATOM 0 HZ2 LYS A 64 4.879 -6.789 -35.604 1.00 14.12 H new ATOM 0 HZ3 LYS A 64 3.974 -6.386 -36.982 1.00 14.12 H new ATOM 1000 N LEU A 65 4.118 -8.715 -31.891 1.00 33.31 N ATOM 1001 CA LEU A 65 5.385 -7.950 -31.699 1.00 3.23 C ATOM 1002 C LEU A 65 6.589 -8.840 -31.313 1.00 63.20 C ATOM 1003 O LEU A 65 7.736 -8.380 -31.357 1.00 2.40 O ATOM 1004 CB LEU A 65 5.191 -6.840 -30.624 1.00 32.24 C ATOM 1005 CG LEU A 65 4.232 -5.667 -31.004 1.00 70.51 C ATOM 1006 CD1 LEU A 65 4.006 -4.707 -29.812 1.00 13.11 C ATOM 1007 CD2 LEU A 65 4.748 -4.901 -32.240 1.00 60.00 C ATOM 0 H LEU A 65 3.384 -8.453 -31.233 1.00 33.31 H new ATOM 0 HA LEU A 65 5.617 -7.503 -32.666 1.00 3.23 H new ATOM 0 HB2 LEU A 65 4.815 -7.307 -29.714 1.00 32.24 H new ATOM 0 HB3 LEU A 65 6.168 -6.419 -30.387 1.00 32.24 H new ATOM 0 HG LEU A 65 3.268 -6.107 -31.260 1.00 70.51 H new ATOM 0 HD11 LEU A 65 3.334 -3.904 -30.114 1.00 13.11 H new ATOM 0 HD12 LEU A 65 3.564 -5.257 -28.981 1.00 13.11 H new ATOM 0 HD13 LEU A 65 4.961 -4.283 -29.500 1.00 13.11 H new ATOM 0 HD21 LEU A 65 4.059 -4.091 -32.480 1.00 60.00 H new ATOM 0 HD22 LEU A 65 5.734 -4.488 -32.027 1.00 60.00 H new ATOM 0 HD23 LEU A 65 4.816 -5.582 -33.088 1.00 60.00 H new ATOM 1019 N HIS A 66 6.314 -10.097 -30.926 1.00 1.21 N ATOM 1020 CA HIS A 66 7.351 -11.100 -30.596 1.00 51.02 C ATOM 1021 C HIS A 66 8.257 -11.435 -31.787 1.00 50.15 C ATOM 1022 O HIS A 66 9.439 -11.736 -31.594 1.00 20.11 O ATOM 1023 CB HIS A 66 6.691 -12.396 -30.052 1.00 72.24 C ATOM 1024 CG HIS A 66 6.207 -12.281 -28.637 1.00 54.50 C ATOM 1025 ND1 HIS A 66 6.400 -13.250 -27.688 1.00 32.34 N ATOM 1026 CD2 HIS A 66 5.524 -11.290 -28.019 1.00 3.13 C ATOM 1027 CE1 HIS A 66 5.849 -12.828 -26.558 1.00 70.14 C ATOM 1028 NE2 HIS A 66 5.299 -11.640 -26.699 1.00 43.31 N ATOM 0 H HIS A 66 5.362 -10.452 -30.832 1.00 1.21 H new ATOM 0 HA HIS A 66 7.984 -10.656 -29.828 1.00 51.02 H new ATOM 0 HB2 HIS A 66 5.850 -12.661 -30.693 1.00 72.24 H new ATOM 0 HB3 HIS A 66 7.410 -13.213 -30.115 1.00 72.24 H new ATOM 0 HD2 HIS A 66 5.204 -10.369 -28.484 1.00 3.13 H new ATOM 0 HE1 HIS A 66 5.851 -13.390 -25.636 1.00 70.14 H new ATOM 0 HE2 HIS A 66 4.812 -11.095 -25.988 1.00 43.31 H new