USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=8 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 -139:sc= -3.93! USER MOD Set 1.2: A 49 CYS SG : rot -42:sc= -0.817! USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.474 K(o=-7.1,f=-22!) USER MOD Set 1.4: A 66 HIS : no HD1:sc= -2.78! C(o=-7.1!,f=-16!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -1.23! C(o=-0.69!,f=-3.8!) USER MOD Set 2.2: A 47 ASN : amide:sc= 0.537 K(o=-0.69,f=-3.9!) USER MOD Single : A 32 MET CE :methyl 167:sc= 0 (180deg=-0.107) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.063) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.23 USER MOD Single : A 55 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 434 N VAL A 30 -13.545 -35.323 -17.960 1.00 40.22 N ATOM 435 CA VAL A 30 -14.022 -34.561 -19.115 1.00 53.43 C ATOM 436 C VAL A 30 -14.774 -33.295 -18.646 1.00 62.11 C ATOM 437 O VAL A 30 -14.841 -32.305 -19.374 1.00 51.33 O ATOM 438 CB VAL A 30 -14.890 -35.486 -20.047 1.00 73.11 C ATOM 439 CG1 VAL A 30 -16.145 -36.023 -19.330 1.00 62.51 C ATOM 440 CG2 VAL A 30 -15.232 -34.792 -21.383 1.00 35.33 C ATOM 0 HA VAL A 30 -13.176 -34.217 -19.710 1.00 53.43 H new ATOM 0 HB VAL A 30 -14.279 -36.356 -20.289 1.00 73.11 H new ATOM 0 HG11 VAL A 30 -16.712 -36.656 -20.013 1.00 62.51 H new ATOM 0 HG12 VAL A 30 -15.845 -36.606 -18.459 1.00 62.51 H new ATOM 0 HG13 VAL A 30 -16.767 -35.187 -19.010 1.00 62.51 H new ATOM 0 HG21 VAL A 30 -15.832 -35.463 -21.998 1.00 35.33 H new ATOM 0 HG22 VAL A 30 -15.795 -33.880 -21.185 1.00 35.33 H new ATOM 0 HG23 VAL A 30 -14.311 -34.543 -21.910 1.00 35.33 H new ATOM 450 N LEU A 31 -15.308 -33.351 -17.403 1.00 31.14 N ATOM 451 CA LEU A 31 -15.989 -32.228 -16.725 1.00 44.05 C ATOM 452 C LEU A 31 -15.057 -30.997 -16.600 1.00 13.42 C ATOM 453 O LEU A 31 -15.487 -29.871 -16.866 1.00 5.43 O ATOM 454 CB LEU A 31 -16.495 -32.727 -15.330 1.00 25.22 C ATOM 455 CG LEU A 31 -17.534 -31.831 -14.552 1.00 35.24 C ATOM 456 CD1 LEU A 31 -18.261 -32.650 -13.466 1.00 44.40 C ATOM 457 CD2 LEU A 31 -16.894 -30.568 -13.918 1.00 62.11 C ATOM 0 H LEU A 31 -15.275 -34.197 -16.834 1.00 31.14 H new ATOM 0 HA LEU A 31 -16.843 -31.900 -17.318 1.00 44.05 H new ATOM 0 HB2 LEU A 31 -16.943 -33.711 -15.470 1.00 25.22 H new ATOM 0 HB3 LEU A 31 -15.624 -32.861 -14.688 1.00 25.22 H new ATOM 0 HG LEU A 31 -18.254 -31.489 -15.296 1.00 35.24 H new ATOM 0 HD11 LEU A 31 -18.972 -32.011 -12.943 1.00 44.40 H new ATOM 0 HD12 LEU A 31 -18.793 -33.480 -13.931 1.00 44.40 H new ATOM 0 HD13 LEU A 31 -17.532 -33.039 -12.755 1.00 44.40 H new ATOM 0 HD21 LEU A 31 -17.661 -29.994 -13.397 1.00 62.11 H new ATOM 0 HD22 LEU A 31 -16.122 -30.868 -13.210 1.00 62.11 H new ATOM 0 HD23 LEU A 31 -16.449 -29.953 -14.701 1.00 62.11 H new ATOM 469 N MET A 32 -13.792 -31.233 -16.199 1.00 34.44 N ATOM 470 CA MET A 32 -12.791 -30.157 -15.990 1.00 3.11 C ATOM 471 C MET A 32 -12.501 -29.412 -17.306 1.00 22.24 C ATOM 472 O MET A 32 -12.412 -28.175 -17.334 1.00 71.24 O ATOM 473 CB MET A 32 -11.484 -30.759 -15.405 1.00 73.20 C ATOM 474 CG MET A 32 -10.411 -29.735 -15.014 1.00 15.24 C ATOM 475 SD MET A 32 -8.892 -30.519 -14.427 1.00 50.23 S ATOM 476 CE MET A 32 -7.869 -29.092 -14.049 1.00 1.33 C ATOM 0 H MET A 32 -13.432 -32.169 -16.010 1.00 34.44 H new ATOM 0 HA MET A 32 -13.198 -29.437 -15.281 1.00 3.11 H new ATOM 0 HB2 MET A 32 -11.737 -31.350 -14.525 1.00 73.20 H new ATOM 0 HB3 MET A 32 -11.059 -31.445 -16.138 1.00 73.20 H new ATOM 0 HG2 MET A 32 -10.183 -29.105 -15.874 1.00 15.24 H new ATOM 0 HG3 MET A 32 -10.803 -29.081 -14.235 1.00 15.24 H new ATOM 0 HE1 MET A 32 -7.003 -29.409 -13.468 1.00 1.33 H new ATOM 0 HE2 MET A 32 -7.534 -28.629 -14.977 1.00 1.33 H new ATOM 0 HE3 MET A 32 -8.449 -28.371 -13.472 1.00 1.33 H new ATOM 486 N VAL A 33 -12.388 -30.194 -18.391 1.00 11.42 N ATOM 487 CA VAL A 33 -12.165 -29.671 -19.751 1.00 71.13 C ATOM 488 C VAL A 33 -13.424 -28.925 -20.250 1.00 60.35 C ATOM 489 O VAL A 33 -13.329 -27.861 -20.864 1.00 22.32 O ATOM 490 CB VAL A 33 -11.793 -30.839 -20.741 1.00 10.21 C ATOM 491 CG1 VAL A 33 -11.472 -30.312 -22.161 1.00 4.25 C ATOM 492 CG2 VAL A 33 -10.624 -31.689 -20.178 1.00 2.34 C ATOM 0 H VAL A 33 -12.449 -31.211 -18.351 1.00 11.42 H new ATOM 0 HA VAL A 33 -11.331 -28.970 -19.719 1.00 71.13 H new ATOM 0 HB VAL A 33 -12.668 -31.483 -20.830 1.00 10.21 H new ATOM 0 HG11 VAL A 33 -11.221 -31.150 -22.812 1.00 4.25 H new ATOM 0 HG12 VAL A 33 -12.342 -29.790 -22.561 1.00 4.25 H new ATOM 0 HG13 VAL A 33 -10.627 -29.625 -22.112 1.00 4.25 H new ATOM 0 HG21 VAL A 33 -10.385 -32.489 -20.879 1.00 2.34 H new ATOM 0 HG22 VAL A 33 -9.748 -31.056 -20.038 1.00 2.34 H new ATOM 0 HG23 VAL A 33 -10.916 -32.121 -19.221 1.00 2.34 H new ATOM 502 N HIS A 34 -14.601 -29.484 -19.924 1.00 63.41 N ATOM 503 CA HIS A 34 -15.917 -28.942 -20.327 1.00 53.32 C ATOM 504 C HIS A 34 -16.204 -27.597 -19.634 1.00 63.45 C ATOM 505 O HIS A 34 -16.902 -26.737 -20.185 1.00 73.35 O ATOM 506 CB HIS A 34 -17.019 -29.977 -19.989 1.00 3.31 C ATOM 507 CG HIS A 34 -18.421 -29.561 -20.350 1.00 34.44 C ATOM 508 ND1 HIS A 34 -18.992 -29.815 -21.576 1.00 65.25 N ATOM 509 CD2 HIS A 34 -19.378 -28.934 -19.625 1.00 54.23 C ATOM 510 CE1 HIS A 34 -20.228 -29.363 -21.587 1.00 73.32 C ATOM 511 NE2 HIS A 34 -20.487 -28.825 -20.415 1.00 51.30 N ATOM 0 H HIS A 34 -14.670 -30.335 -19.367 1.00 63.41 H new ATOM 0 HA HIS A 34 -15.908 -28.758 -21.401 1.00 53.32 H new ATOM 0 HB2 HIS A 34 -16.790 -30.910 -20.504 1.00 3.31 H new ATOM 0 HB3 HIS A 34 -16.983 -30.186 -18.920 1.00 3.31 H new ATOM 0 HD2 HIS A 34 -19.282 -28.584 -18.608 1.00 54.23 H new ATOM 0 HE1 HIS A 34 -20.914 -29.424 -22.419 1.00 73.32 H new ATOM 0 HE2 HIS A 34 -21.371 -28.397 -20.141 1.00 51.30 H new ATOM 520 N LYS A 35 -15.651 -27.434 -18.422 1.00 41.33 N ATOM 521 CA LYS A 35 -15.816 -26.216 -17.613 1.00 41.11 C ATOM 522 C LYS A 35 -15.106 -25.018 -18.279 1.00 32.12 C ATOM 523 O LYS A 35 -15.511 -23.870 -18.096 1.00 62.31 O ATOM 524 CB LYS A 35 -15.281 -26.467 -16.176 1.00 4.13 C ATOM 525 CG LYS A 35 -15.571 -25.338 -15.153 1.00 5.33 C ATOM 526 CD LYS A 35 -17.079 -25.074 -14.918 1.00 32.22 C ATOM 527 CE LYS A 35 -17.828 -26.283 -14.325 1.00 34.22 C ATOM 528 NZ LYS A 35 -17.308 -26.682 -12.986 1.00 42.32 N ATOM 0 H LYS A 35 -15.075 -28.146 -17.974 1.00 41.33 H new ATOM 0 HA LYS A 35 -16.876 -25.969 -17.548 1.00 41.11 H new ATOM 0 HB2 LYS A 35 -15.715 -27.394 -15.801 1.00 4.13 H new ATOM 0 HB3 LYS A 35 -14.203 -26.618 -16.229 1.00 4.13 H new ATOM 0 HG2 LYS A 35 -15.105 -25.595 -14.202 1.00 5.33 H new ATOM 0 HG3 LYS A 35 -15.101 -24.418 -15.500 1.00 5.33 H new ATOM 0 HD2 LYS A 35 -17.191 -24.222 -14.247 1.00 32.22 H new ATOM 0 HD3 LYS A 35 -17.543 -24.797 -15.864 1.00 32.22 H new ATOM 0 HE2 LYS A 35 -18.888 -26.043 -14.242 1.00 34.22 H new ATOM 0 HE3 LYS A 35 -17.745 -27.128 -15.009 1.00 34.22 H new ATOM 0 HZ1 LYS A 35 -17.890 -27.455 -12.604 1.00 42.32 H new ATOM 0 HZ2 LYS A 35 -16.323 -27.003 -13.078 1.00 42.32 H new ATOM 0 HZ3 LYS A 35 -17.348 -25.867 -12.341 1.00 42.32 H new ATOM 542 N ARG A 36 -14.055 -25.312 -19.068 1.00 31.21 N ATOM 543 CA ARG A 36 -13.296 -24.300 -19.831 1.00 44.01 C ATOM 544 C ARG A 36 -14.160 -23.690 -20.963 1.00 13.04 C ATOM 545 O ARG A 36 -13.923 -22.556 -21.394 1.00 63.42 O ATOM 546 CB ARG A 36 -12.013 -24.945 -20.411 1.00 63.24 C ATOM 547 CG ARG A 36 -11.109 -25.627 -19.356 1.00 23.10 C ATOM 548 CD ARG A 36 -10.458 -24.628 -18.378 1.00 32.03 C ATOM 549 NE ARG A 36 -9.679 -25.307 -17.326 1.00 14.31 N ATOM 550 CZ ARG A 36 -8.409 -25.738 -17.447 1.00 31.30 C ATOM 551 NH1 ARG A 36 -7.724 -25.579 -18.579 1.00 23.10 N ATOM 552 NH2 ARG A 36 -7.826 -26.336 -16.417 1.00 71.14 N ATOM 0 H ARG A 36 -13.706 -26.262 -19.195 1.00 31.21 H new ATOM 0 HA ARG A 36 -13.018 -23.490 -19.157 1.00 44.01 H new ATOM 0 HB2 ARG A 36 -12.299 -25.684 -21.160 1.00 63.24 H new ATOM 0 HB3 ARG A 36 -11.435 -24.177 -20.925 1.00 63.24 H new ATOM 0 HG2 ARG A 36 -11.701 -26.346 -18.790 1.00 23.10 H new ATOM 0 HG3 ARG A 36 -10.326 -26.189 -19.866 1.00 23.10 H new ATOM 0 HD2 ARG A 36 -9.806 -23.952 -18.932 1.00 32.03 H new ATOM 0 HD3 ARG A 36 -11.233 -24.016 -17.916 1.00 32.03 H new ATOM 0 HE ARG A 36 -10.142 -25.464 -16.430 1.00 14.31 H new ATOM 0 HH11 ARG A 36 -8.161 -25.122 -19.379 1.00 23.10 H new ATOM 0 HH12 ARG A 36 -6.763 -25.914 -18.645 1.00 23.10 H new ATOM 0 HH21 ARG A 36 -8.339 -26.465 -15.545 1.00 71.14 H new ATOM 0 HH22 ARG A 36 -6.864 -26.667 -16.497 1.00 71.14 H new ATOM 566 N SER A 37 -15.164 -24.459 -21.435 1.00 63.44 N ATOM 567 CA SER A 37 -16.153 -23.973 -22.416 1.00 74.10 C ATOM 568 C SER A 37 -17.131 -22.998 -21.736 1.00 73.13 C ATOM 569 O SER A 37 -17.536 -21.994 -22.332 1.00 35.12 O ATOM 570 CB SER A 37 -16.913 -25.159 -23.043 1.00 3.45 C ATOM 571 OG SER A 37 -17.783 -24.737 -24.082 1.00 4.34 O ATOM 0 H SER A 37 -15.310 -25.427 -21.148 1.00 63.44 H new ATOM 0 HA SER A 37 -15.632 -23.443 -23.213 1.00 74.10 H new ATOM 0 HB2 SER A 37 -16.198 -25.881 -23.438 1.00 3.45 H new ATOM 0 HB3 SER A 37 -17.489 -25.670 -22.272 1.00 3.45 H new ATOM 0 HG SER A 37 -18.246 -25.515 -24.457 1.00 4.34 H new ATOM 669 N PHE A 44 -5.932 -13.513 -21.418 1.00 41.25 N ATOM 670 CA PHE A 44 -5.033 -13.594 -22.574 1.00 61.33 C ATOM 671 C PHE A 44 -3.602 -13.199 -22.157 1.00 41.34 C ATOM 672 O PHE A 44 -3.192 -12.042 -22.284 1.00 10.02 O ATOM 673 CB PHE A 44 -5.575 -12.691 -23.712 1.00 63.45 C ATOM 674 CG PHE A 44 -7.007 -13.022 -24.117 1.00 2.42 C ATOM 675 CD1 PHE A 44 -7.295 -14.197 -24.810 1.00 42.42 C ATOM 676 CD2 PHE A 44 -8.063 -12.183 -23.773 1.00 44.33 C ATOM 677 CE1 PHE A 44 -8.595 -14.511 -25.156 1.00 14.53 C ATOM 678 CE2 PHE A 44 -9.361 -12.499 -24.115 1.00 31.45 C ATOM 679 CZ PHE A 44 -9.628 -13.664 -24.803 1.00 60.22 C ATOM 0 HA PHE A 44 -4.994 -14.618 -22.946 1.00 61.33 H new ATOM 0 HB2 PHE A 44 -5.527 -11.650 -23.394 1.00 63.45 H new ATOM 0 HB3 PHE A 44 -4.927 -12.788 -24.583 1.00 63.45 H new ATOM 0 HD1 PHE A 44 -6.493 -14.869 -25.079 1.00 42.42 H new ATOM 0 HD2 PHE A 44 -7.863 -11.271 -23.230 1.00 44.33 H new ATOM 0 HE1 PHE A 44 -8.804 -15.419 -25.703 1.00 14.53 H new ATOM 0 HE2 PHE A 44 -10.168 -11.834 -23.844 1.00 31.45 H new ATOM 0 HZ PHE A 44 -10.645 -13.914 -25.066 1.00 60.22 H new ATOM 689 N HIS A 45 -2.864 -14.182 -21.625 1.00 53.41 N ATOM 690 CA HIS A 45 -1.533 -13.960 -21.053 1.00 14.31 C ATOM 691 C HIS A 45 -0.459 -14.118 -22.128 1.00 53.45 C ATOM 692 O HIS A 45 -0.401 -15.129 -22.834 1.00 11.22 O ATOM 693 CB HIS A 45 -1.286 -14.956 -19.890 1.00 14.41 C ATOM 694 CG HIS A 45 0.017 -14.761 -19.153 1.00 2.45 C ATOM 695 ND1 HIS A 45 1.201 -15.343 -19.552 1.00 1.33 N ATOM 696 CD2 HIS A 45 0.312 -14.061 -18.035 1.00 11.31 C ATOM 697 CE1 HIS A 45 2.157 -15.007 -18.713 1.00 54.43 C ATOM 698 NE2 HIS A 45 1.642 -14.232 -17.785 1.00 21.42 N ATOM 0 H HIS A 45 -3.174 -15.153 -21.580 1.00 53.41 H new ATOM 0 HA HIS A 45 -1.481 -12.943 -20.663 1.00 14.31 H new ATOM 0 HB2 HIS A 45 -2.106 -14.871 -19.177 1.00 14.41 H new ATOM 0 HB3 HIS A 45 -1.314 -15.971 -20.288 1.00 14.41 H new ATOM 0 HD1 HIS A 45 1.318 -15.941 -20.370 1.00 1.33 H new ATOM 0 HD2 HIS A 45 -0.379 -13.474 -17.448 1.00 11.31 H new ATOM 0 HE1 HIS A 45 3.190 -15.316 -18.776 1.00 54.43 H new ATOM 707 N CYS A 46 0.359 -13.074 -22.262 1.00 20.00 N ATOM 708 CA CYS A 46 1.576 -13.117 -23.055 1.00 12.34 C ATOM 709 C CYS A 46 2.623 -14.012 -22.370 1.00 11.50 C ATOM 710 O CYS A 46 3.359 -13.549 -21.478 1.00 34.01 O ATOM 711 CB CYS A 46 2.130 -11.700 -23.237 1.00 54.24 C ATOM 712 SG CYS A 46 3.770 -11.631 -24.033 1.00 22.20 S ATOM 0 H CYS A 46 0.190 -12.171 -21.818 1.00 20.00 H new ATOM 0 HA CYS A 46 1.346 -13.536 -24.035 1.00 12.34 H new ATOM 0 HB2 CYS A 46 1.425 -11.121 -23.833 1.00 54.24 H new ATOM 0 HB3 CYS A 46 2.192 -11.219 -22.261 1.00 54.24 H new ATOM 0 HG CYS A 46 4.502 -10.733 -23.443 1.00 22.20 H new ATOM 717 N ASN A 47 2.634 -15.306 -22.753 1.00 31.54 N ATOM 718 CA ASN A 47 3.600 -16.314 -22.259 1.00 31.20 C ATOM 719 C ASN A 47 5.001 -16.044 -22.841 1.00 21.13 C ATOM 720 O ASN A 47 5.475 -16.770 -23.719 1.00 11.42 O ATOM 721 CB ASN A 47 3.121 -17.759 -22.619 1.00 63.01 C ATOM 722 CG ASN A 47 1.813 -18.198 -21.935 1.00 63.42 C ATOM 723 OD1 ASN A 47 0.934 -17.390 -21.648 1.00 54.51 O ATOM 724 ND2 ASN A 47 1.680 -19.486 -21.667 1.00 4.51 N ATOM 0 H ASN A 47 1.965 -15.686 -23.422 1.00 31.54 H new ATOM 0 HA ASN A 47 3.657 -16.236 -21.173 1.00 31.20 H new ATOM 0 HB2 ASN A 47 2.989 -17.824 -23.699 1.00 63.01 H new ATOM 0 HB3 ASN A 47 3.908 -18.464 -22.352 1.00 63.01 H new ATOM 0 HD21 ASN A 47 0.833 -19.828 -21.212 1.00 4.51 H new ATOM 0 HD22 ASN A 47 2.424 -20.138 -21.915 1.00 4.51 H new ATOM 731 N GLN A 48 5.649 -14.975 -22.344 1.00 42.32 N ATOM 732 CA GLN A 48 6.978 -14.544 -22.822 1.00 71.32 C ATOM 733 C GLN A 48 7.529 -13.412 -21.939 1.00 3.44 C ATOM 734 O GLN A 48 8.714 -13.400 -21.586 1.00 64.34 O ATOM 735 CB GLN A 48 6.909 -14.089 -24.315 1.00 33.32 C ATOM 736 CG GLN A 48 8.285 -13.906 -24.993 1.00 60.23 C ATOM 737 CD GLN A 48 9.134 -15.184 -25.068 1.00 34.14 C ATOM 738 OE1 GLN A 48 10.365 -15.132 -25.000 1.00 22.22 O ATOM 739 NE2 GLN A 48 8.502 -16.338 -25.257 1.00 2.02 N ATOM 0 H GLN A 48 5.269 -14.387 -21.602 1.00 42.32 H new ATOM 0 HA GLN A 48 7.656 -15.395 -22.755 1.00 71.32 H new ATOM 0 HB2 GLN A 48 6.335 -14.824 -24.879 1.00 33.32 H new ATOM 0 HB3 GLN A 48 6.363 -13.147 -24.370 1.00 33.32 H new ATOM 0 HG2 GLN A 48 8.130 -13.528 -26.004 1.00 60.23 H new ATOM 0 HG3 GLN A 48 8.845 -13.145 -24.450 1.00 60.23 H new ATOM 0 HE21 GLN A 48 7.484 -16.359 -25.310 1.00 2.02 H new ATOM 0 HE22 GLN A 48 9.035 -17.203 -25.349 1.00 2.02 H new ATOM 748 N CYS A 49 6.654 -12.454 -21.598 1.00 11.22 N ATOM 749 CA CYS A 49 7.016 -11.275 -20.770 1.00 10.54 C ATOM 750 C CYS A 49 6.391 -11.346 -19.370 1.00 4.53 C ATOM 751 O CYS A 49 6.903 -10.721 -18.434 1.00 15.12 O ATOM 752 CB CYS A 49 6.552 -9.988 -21.471 1.00 60.41 C ATOM 753 SG CYS A 49 4.800 -9.997 -21.942 1.00 5.23 S ATOM 0 H CYS A 49 5.675 -12.467 -21.884 1.00 11.22 H new ATOM 0 HA CYS A 49 8.100 -11.272 -20.655 1.00 10.54 H new ATOM 0 HB2 CYS A 49 6.736 -9.140 -20.811 1.00 60.41 H new ATOM 0 HB3 CYS A 49 7.157 -9.834 -22.364 1.00 60.41 H new ATOM 0 HG CYS A 49 4.491 -11.157 -22.441 1.00 5.23 H new ATOM 758 N GLY A 50 5.265 -12.077 -19.240 1.00 5.44 N ATOM 759 CA GLY A 50 4.558 -12.206 -17.954 1.00 41.25 C ATOM 760 C GLY A 50 3.336 -11.301 -17.852 1.00 30.21 C ATOM 761 O GLY A 50 2.596 -11.369 -16.867 1.00 63.42 O ATOM 0 H GLY A 50 4.828 -12.585 -20.009 1.00 5.44 H new ATOM 0 HA2 GLY A 50 4.248 -13.242 -17.819 1.00 41.25 H new ATOM 0 HA3 GLY A 50 5.246 -11.971 -17.142 1.00 41.25 H new ATOM 765 N ALA A 51 3.137 -10.446 -18.864 1.00 62.51 N ATOM 766 CA ALA A 51 1.956 -9.578 -18.957 1.00 15.23 C ATOM 767 C ALA A 51 0.701 -10.411 -19.278 1.00 52.02 C ATOM 768 O ALA A 51 0.759 -11.341 -20.086 1.00 31.52 O ATOM 769 CB ALA A 51 2.182 -8.492 -20.023 1.00 4.34 C ATOM 0 H ALA A 51 3.790 -10.337 -19.640 1.00 62.51 H new ATOM 0 HA ALA A 51 1.800 -9.089 -17.995 1.00 15.23 H new ATOM 0 HB1 ALA A 51 1.301 -7.854 -20.084 1.00 4.34 H new ATOM 0 HB2 ALA A 51 3.048 -7.889 -19.750 1.00 4.34 H new ATOM 0 HB3 ALA A 51 2.357 -8.963 -20.990 1.00 4.34 H new ATOM 775 N SER A 52 -0.419 -10.072 -18.627 1.00 35.25 N ATOM 776 CA SER A 52 -1.711 -10.754 -18.820 1.00 73.43 C ATOM 777 C SER A 52 -2.768 -9.723 -19.220 1.00 2.44 C ATOM 778 O SER A 52 -2.808 -8.623 -18.658 1.00 34.22 O ATOM 779 CB SER A 52 -2.136 -11.483 -17.525 1.00 13.51 C ATOM 780 OG SER A 52 -3.299 -12.271 -17.739 1.00 22.13 O ATOM 0 H SER A 52 -0.457 -9.313 -17.947 1.00 35.25 H new ATOM 0 HA SER A 52 -1.611 -11.498 -19.611 1.00 73.43 H new ATOM 0 HB2 SER A 52 -1.321 -12.119 -17.178 1.00 13.51 H new ATOM 0 HB3 SER A 52 -2.328 -10.752 -16.739 1.00 13.51 H new ATOM 0 HG SER A 52 -3.546 -12.723 -16.905 1.00 22.13 H new ATOM 786 N PHE A 53 -3.618 -10.082 -20.194 1.00 11.42 N ATOM 787 CA PHE A 53 -4.640 -9.169 -20.744 1.00 12.40 C ATOM 788 C PHE A 53 -6.024 -9.815 -20.680 1.00 23.11 C ATOM 789 O PHE A 53 -6.160 -11.002 -20.401 1.00 50.42 O ATOM 790 CB PHE A 53 -4.284 -8.790 -22.211 1.00 61.10 C ATOM 791 CG PHE A 53 -2.891 -8.175 -22.356 1.00 12.54 C ATOM 792 CD1 PHE A 53 -2.663 -6.840 -22.012 1.00 52.21 C ATOM 793 CD2 PHE A 53 -1.806 -8.937 -22.800 1.00 54.13 C ATOM 794 CE1 PHE A 53 -1.399 -6.288 -22.115 1.00 71.42 C ATOM 795 CE2 PHE A 53 -0.545 -8.381 -22.897 1.00 73.11 C ATOM 796 CZ PHE A 53 -0.346 -7.057 -22.555 1.00 43.43 C ATOM 0 H PHE A 53 -3.619 -11.007 -20.623 1.00 11.42 H new ATOM 0 HA PHE A 53 -4.658 -8.260 -20.142 1.00 12.40 H new ATOM 0 HB2 PHE A 53 -4.347 -9.682 -22.835 1.00 61.10 H new ATOM 0 HB3 PHE A 53 -5.026 -8.085 -22.587 1.00 61.10 H new ATOM 0 HD1 PHE A 53 -3.484 -6.232 -21.661 1.00 52.21 H new ATOM 0 HD2 PHE A 53 -1.955 -9.972 -23.070 1.00 54.13 H new ATOM 0 HE1 PHE A 53 -1.238 -5.253 -21.850 1.00 71.42 H new ATOM 0 HE2 PHE A 53 0.285 -8.981 -23.240 1.00 73.11 H new ATOM 0 HZ PHE A 53 0.640 -6.624 -22.633 1.00 43.43 H new ATOM 806 N THR A 54 -7.049 -8.998 -20.907 1.00 42.41 N ATOM 807 CA THR A 54 -8.436 -9.461 -21.088 1.00 60.04 C ATOM 808 C THR A 54 -8.946 -8.996 -22.467 1.00 15.31 C ATOM 809 O THR A 54 -10.062 -9.334 -22.873 1.00 11.34 O ATOM 810 CB THR A 54 -9.362 -8.946 -19.927 1.00 53.02 C ATOM 811 OG1 THR A 54 -10.677 -9.529 -20.013 1.00 70.45 O ATOM 812 CG2 THR A 54 -9.483 -7.411 -19.914 1.00 3.24 C ATOM 0 H THR A 54 -6.947 -7.985 -20.972 1.00 42.41 H new ATOM 0 HA THR A 54 -8.461 -10.550 -21.050 1.00 60.04 H new ATOM 0 HB THR A 54 -8.888 -9.258 -18.996 1.00 53.02 H new ATOM 0 HG1 THR A 54 -10.917 -9.658 -20.954 1.00 70.45 H new ATOM 0 HG21 THR A 54 -10.133 -7.104 -19.094 1.00 3.24 H new ATOM 0 HG22 THR A 54 -8.496 -6.969 -19.779 1.00 3.24 H new ATOM 0 HG23 THR A 54 -9.906 -7.071 -20.859 1.00 3.24 H new ATOM 820 N GLN A 55 -8.088 -8.246 -23.196 1.00 51.33 N ATOM 821 CA GLN A 55 -8.411 -7.682 -24.517 1.00 52.33 C ATOM 822 C GLN A 55 -7.565 -8.354 -25.608 1.00 0.23 C ATOM 823 O GLN A 55 -6.333 -8.338 -25.531 1.00 13.00 O ATOM 824 CB GLN A 55 -8.154 -6.151 -24.515 1.00 14.01 C ATOM 825 CG GLN A 55 -8.980 -5.357 -23.483 1.00 11.12 C ATOM 826 CD GLN A 55 -10.489 -5.540 -23.659 1.00 5.14 C ATOM 827 OE1 GLN A 55 -11.100 -6.420 -23.049 1.00 14.05 O ATOM 828 NE2 GLN A 55 -11.095 -4.728 -24.513 1.00 23.44 N ATOM 0 H GLN A 55 -7.147 -8.016 -22.877 1.00 51.33 H new ATOM 0 HA GLN A 55 -9.464 -7.868 -24.729 1.00 52.33 H new ATOM 0 HB2 GLN A 55 -7.095 -5.975 -24.325 1.00 14.01 H new ATOM 0 HB3 GLN A 55 -8.368 -5.760 -25.509 1.00 14.01 H new ATOM 0 HG2 GLN A 55 -8.696 -5.671 -22.479 1.00 11.12 H new ATOM 0 HG3 GLN A 55 -8.735 -4.298 -23.567 1.00 11.12 H new ATOM 0 HE21 GLN A 55 -10.560 -4.010 -25.001 1.00 23.44 H new ATOM 0 HE22 GLN A 55 -12.097 -4.821 -24.682 1.00 23.44 H new ATOM 837 N LYS A 56 -8.245 -8.941 -26.610 1.00 21.54 N ATOM 838 CA LYS A 56 -7.597 -9.511 -27.805 1.00 1.21 C ATOM 839 C LYS A 56 -7.043 -8.406 -28.706 1.00 31.23 C ATOM 840 O LYS A 56 -6.062 -8.620 -29.403 1.00 13.21 O ATOM 841 CB LYS A 56 -8.586 -10.400 -28.598 1.00 63.42 C ATOM 842 CG LYS A 56 -8.951 -11.717 -27.885 1.00 62.43 C ATOM 843 CD LYS A 56 -10.017 -12.534 -28.652 1.00 31.12 C ATOM 844 CE LYS A 56 -11.390 -11.836 -28.707 1.00 43.40 C ATOM 845 NZ LYS A 56 -12.397 -12.645 -29.458 1.00 44.34 N ATOM 0 H LYS A 56 -9.261 -9.033 -26.614 1.00 21.54 H new ATOM 0 HA LYS A 56 -6.766 -10.131 -27.468 1.00 1.21 H new ATOM 0 HB2 LYS A 56 -9.499 -9.834 -28.785 1.00 63.42 H new ATOM 0 HB3 LYS A 56 -8.151 -10.633 -29.570 1.00 63.42 H new ATOM 0 HG2 LYS A 56 -8.052 -12.322 -27.765 1.00 62.43 H new ATOM 0 HG3 LYS A 56 -9.321 -11.494 -26.884 1.00 62.43 H new ATOM 0 HD2 LYS A 56 -9.666 -12.714 -29.668 1.00 31.12 H new ATOM 0 HD3 LYS A 56 -10.130 -13.509 -28.177 1.00 31.12 H new ATOM 0 HE2 LYS A 56 -11.749 -11.660 -27.693 1.00 43.40 H new ATOM 0 HE3 LYS A 56 -11.282 -10.860 -29.180 1.00 43.40 H new ATOM 0 HZ1 LYS A 56 -13.307 -12.141 -29.472 1.00 44.34 H new ATOM 0 HZ2 LYS A 56 -12.067 -12.791 -30.433 1.00 44.34 H new ATOM 0 HZ3 LYS A 56 -12.519 -13.567 -28.992 1.00 44.34 H new ATOM 859 N GLY A 57 -7.680 -7.226 -28.686 1.00 3.12 N ATOM 860 CA GLY A 57 -7.188 -6.076 -29.442 1.00 52.12 C ATOM 861 C GLY A 57 -5.795 -5.646 -28.977 1.00 3.52 C ATOM 862 O GLY A 57 -4.951 -5.238 -29.784 1.00 21.12 O ATOM 0 H GLY A 57 -8.533 -7.048 -28.156 1.00 3.12 H new ATOM 0 HA2 GLY A 57 -7.157 -6.324 -30.503 1.00 52.12 H new ATOM 0 HA3 GLY A 57 -7.882 -5.243 -29.330 1.00 52.12 H new ATOM 866 N ASN A 58 -5.570 -5.765 -27.660 1.00 4.42 N ATOM 867 CA ASN A 58 -4.273 -5.500 -27.021 1.00 73.35 C ATOM 868 C ASN A 58 -3.328 -6.709 -27.199 1.00 4.32 C ATOM 869 O ASN A 58 -2.127 -6.531 -27.411 1.00 33.44 O ATOM 870 CB ASN A 58 -4.477 -5.180 -25.512 1.00 11.12 C ATOM 871 CG ASN A 58 -5.316 -3.911 -25.264 1.00 62.31 C ATOM 872 OD1 ASN A 58 -6.200 -3.554 -26.052 1.00 3.24 O ATOM 873 ND2 ASN A 58 -5.063 -3.225 -24.161 1.00 34.13 N ATOM 0 H ASN A 58 -6.293 -6.052 -27.001 1.00 4.42 H new ATOM 0 HA ASN A 58 -3.814 -4.635 -27.500 1.00 73.35 H new ATOM 0 HB2 ASN A 58 -4.964 -6.028 -25.031 1.00 11.12 H new ATOM 0 HB3 ASN A 58 -3.503 -5.061 -25.038 1.00 11.12 H new ATOM 0 HD21 ASN A 58 -5.601 -2.385 -23.948 1.00 34.13 H new ATOM 0 HD22 ASN A 58 -4.330 -3.536 -23.524 1.00 34.13 H new ATOM 880 N LEU A 59 -3.896 -7.935 -27.135 1.00 61.22 N ATOM 881 CA LEU A 59 -3.122 -9.191 -27.223 1.00 41.32 C ATOM 882 C LEU A 59 -2.459 -9.353 -28.603 1.00 3.54 C ATOM 883 O LEU A 59 -1.257 -9.569 -28.683 1.00 32.40 O ATOM 884 CB LEU A 59 -4.030 -10.421 -26.953 1.00 32.02 C ATOM 885 CG LEU A 59 -3.314 -11.818 -27.015 1.00 42.51 C ATOM 886 CD1 LEU A 59 -2.400 -12.048 -25.791 1.00 44.52 C ATOM 887 CD2 LEU A 59 -4.326 -12.968 -27.207 1.00 3.21 C ATOM 0 H LEU A 59 -4.899 -8.079 -27.021 1.00 61.22 H new ATOM 0 HA LEU A 59 -2.344 -9.136 -26.462 1.00 41.32 H new ATOM 0 HB2 LEU A 59 -4.482 -10.308 -25.968 1.00 32.02 H new ATOM 0 HB3 LEU A 59 -4.843 -10.417 -27.679 1.00 32.02 H new ATOM 0 HG LEU A 59 -2.669 -11.812 -27.893 1.00 42.51 H new ATOM 0 HD11 LEU A 59 -1.923 -13.025 -25.871 1.00 44.52 H new ATOM 0 HD12 LEU A 59 -1.635 -11.272 -25.757 1.00 44.52 H new ATOM 0 HD13 LEU A 59 -2.996 -12.009 -24.879 1.00 44.52 H new ATOM 0 HD21 LEU A 59 -3.794 -13.918 -27.245 1.00 3.21 H new ATOM 0 HD22 LEU A 59 -5.028 -12.978 -26.373 1.00 3.21 H new ATOM 0 HD23 LEU A 59 -4.872 -12.820 -28.139 1.00 3.21 H new ATOM 899 N LEU A 60 -3.261 -9.208 -29.672 1.00 62.31 N ATOM 900 CA LEU A 60 -2.859 -9.565 -31.051 1.00 53.13 C ATOM 901 C LEU A 60 -1.691 -8.694 -31.564 1.00 5.14 C ATOM 902 O LEU A 60 -0.815 -9.183 -32.290 1.00 21.03 O ATOM 903 CB LEU A 60 -4.093 -9.497 -32.001 1.00 53.11 C ATOM 904 CG LEU A 60 -5.231 -10.541 -31.721 1.00 22.22 C ATOM 905 CD1 LEU A 60 -6.463 -10.301 -32.622 1.00 23.23 C ATOM 906 CD2 LEU A 60 -4.710 -11.989 -31.860 1.00 35.34 C ATOM 0 H LEU A 60 -4.210 -8.839 -29.608 1.00 62.31 H new ATOM 0 HA LEU A 60 -2.488 -10.590 -31.039 1.00 53.13 H new ATOM 0 HB2 LEU A 60 -4.521 -8.496 -31.938 1.00 53.11 H new ATOM 0 HB3 LEU A 60 -3.746 -9.632 -33.026 1.00 53.11 H new ATOM 0 HG LEU A 60 -5.552 -10.400 -30.689 1.00 22.22 H new ATOM 0 HD11 LEU A 60 -7.228 -11.044 -32.398 1.00 23.23 H new ATOM 0 HD12 LEU A 60 -6.861 -9.303 -32.436 1.00 23.23 H new ATOM 0 HD13 LEU A 60 -6.170 -10.386 -33.669 1.00 23.23 H new ATOM 0 HD21 LEU A 60 -5.522 -12.688 -31.660 1.00 35.34 H new ATOM 0 HD22 LEU A 60 -4.337 -12.146 -32.872 1.00 35.34 H new ATOM 0 HD23 LEU A 60 -3.903 -12.156 -31.146 1.00 35.34 H new ATOM 918 N ARG A 61 -1.677 -7.414 -31.161 1.00 30.10 N ATOM 919 CA ARG A 61 -0.579 -6.485 -31.499 1.00 55.22 C ATOM 920 C ARG A 61 0.657 -6.723 -30.596 1.00 75.32 C ATOM 921 O ARG A 61 1.792 -6.527 -31.030 1.00 45.41 O ATOM 922 CB ARG A 61 -1.056 -5.010 -31.413 1.00 42.22 C ATOM 923 CG ARG A 61 -1.584 -4.565 -30.033 1.00 35.10 C ATOM 924 CD ARG A 61 -1.983 -3.081 -30.011 1.00 71.40 C ATOM 925 NE ARG A 61 -0.844 -2.215 -30.350 1.00 51.44 N ATOM 926 CZ ARG A 61 -0.917 -1.020 -30.963 1.00 44.12 C ATOM 927 NH1 ARG A 61 -2.090 -0.505 -31.344 1.00 51.41 N ATOM 928 NH2 ARG A 61 0.205 -0.359 -31.211 1.00 3.32 N ATOM 0 H ARG A 61 -2.416 -6.994 -30.598 1.00 30.10 H new ATOM 0 HA ARG A 61 -0.279 -6.684 -32.528 1.00 55.22 H new ATOM 0 HB2 ARG A 61 -0.226 -4.361 -31.692 1.00 42.22 H new ATOM 0 HB3 ARG A 61 -1.843 -4.857 -32.151 1.00 42.22 H new ATOM 0 HG2 ARG A 61 -2.446 -5.175 -29.763 1.00 35.10 H new ATOM 0 HG3 ARG A 61 -0.818 -4.744 -29.279 1.00 35.10 H new ATOM 0 HD2 ARG A 61 -2.795 -2.910 -30.718 1.00 71.40 H new ATOM 0 HD3 ARG A 61 -2.360 -2.819 -29.023 1.00 71.40 H new ATOM 0 HE ARG A 61 0.085 -2.551 -30.097 1.00 51.44 H new ATOM 0 HH11 ARG A 61 -2.953 -1.020 -31.171 1.00 51.41 H new ATOM 0 HH12 ARG A 61 -2.122 0.403 -31.807 1.00 51.41 H new ATOM 0 HH21 ARG A 61 1.103 -0.758 -30.938 1.00 3.32 H new ATOM 0 HH22 ARG A 61 0.170 0.549 -31.675 1.00 3.32 H new ATOM 942 N HIS A 62 0.412 -7.169 -29.351 1.00 11.45 N ATOM 943 CA HIS A 62 1.463 -7.432 -28.343 1.00 30.52 C ATOM 944 C HIS A 62 2.289 -8.685 -28.701 1.00 15.23 C ATOM 945 O HIS A 62 3.522 -8.670 -28.633 1.00 20.40 O ATOM 946 CB HIS A 62 0.784 -7.594 -26.961 1.00 62.05 C ATOM 947 CG HIS A 62 1.715 -7.821 -25.802 1.00 51.01 C ATOM 948 ND1 HIS A 62 2.029 -6.856 -24.879 1.00 40.32 N ATOM 949 CD2 HIS A 62 2.397 -8.939 -25.402 1.00 61.54 C ATOM 950 CE1 HIS A 62 2.861 -7.385 -23.972 1.00 62.14 C ATOM 951 NE2 HIS A 62 3.129 -8.654 -24.241 1.00 14.45 N ATOM 0 H HIS A 62 -0.530 -7.360 -29.010 1.00 11.45 H new ATOM 0 HA HIS A 62 2.159 -6.593 -28.320 1.00 30.52 H new ATOM 0 HB2 HIS A 62 0.193 -6.700 -26.760 1.00 62.05 H new ATOM 0 HB3 HIS A 62 0.088 -8.431 -27.014 1.00 62.05 H new ATOM 0 HD2 HIS A 62 2.374 -9.895 -25.904 1.00 61.54 H new ATOM 0 HE1 HIS A 62 3.263 -6.845 -23.128 1.00 62.14 H new ATOM 0 HE2 HIS A 62 3.735 -9.286 -23.718 1.00 14.45 H new ATOM 959 N ILE A 63 1.591 -9.763 -29.073 1.00 11.33 N ATOM 960 CA ILE A 63 2.211 -11.050 -29.459 1.00 31.00 C ATOM 961 C ILE A 63 2.954 -10.923 -30.807 1.00 54.04 C ATOM 962 O ILE A 63 3.877 -11.684 -31.086 1.00 74.23 O ATOM 963 CB ILE A 63 1.149 -12.213 -29.500 1.00 43.32 C ATOM 964 CG1 ILE A 63 0.029 -11.919 -30.544 1.00 50.42 C ATOM 965 CG2 ILE A 63 0.545 -12.452 -28.093 1.00 51.54 C ATOM 966 CD1 ILE A 63 -1.067 -12.969 -30.648 1.00 24.42 C ATOM 0 H ILE A 63 0.572 -9.775 -29.117 1.00 11.33 H new ATOM 0 HA ILE A 63 2.944 -11.306 -28.694 1.00 31.00 H new ATOM 0 HB ILE A 63 1.661 -13.124 -29.812 1.00 43.32 H new ATOM 0 HG12 ILE A 63 -0.432 -10.963 -30.296 1.00 50.42 H new ATOM 0 HG13 ILE A 63 0.492 -11.805 -31.524 1.00 50.42 H new ATOM 0 HG21 ILE A 63 -0.186 -13.259 -28.143 1.00 51.54 H new ATOM 0 HG22 ILE A 63 1.339 -12.724 -27.398 1.00 51.54 H new ATOM 0 HG23 ILE A 63 0.057 -11.541 -27.747 1.00 51.54 H new ATOM 0 HD11 ILE A 63 -1.792 -12.664 -31.402 1.00 24.42 H new ATOM 0 HD12 ILE A 63 -0.629 -13.926 -30.932 1.00 24.42 H new ATOM 0 HD13 ILE A 63 -1.567 -13.070 -29.684 1.00 24.42 H new ATOM 978 N LYS A 64 2.505 -9.958 -31.634 1.00 63.52 N ATOM 979 CA LYS A 64 3.152 -9.603 -32.909 1.00 42.31 C ATOM 980 C LYS A 64 4.548 -8.986 -32.670 1.00 71.05 C ATOM 981 O LYS A 64 5.463 -9.158 -33.484 1.00 32.11 O ATOM 982 CB LYS A 64 2.245 -8.619 -33.683 1.00 13.34 C ATOM 983 CG LYS A 64 2.761 -8.231 -35.100 1.00 35.20 C ATOM 984 CD LYS A 64 2.396 -6.781 -35.504 1.00 62.32 C ATOM 985 CE LYS A 64 2.986 -5.747 -34.520 1.00 51.32 C ATOM 986 NZ LYS A 64 2.830 -4.351 -35.008 1.00 44.22 N ATOM 0 H LYS A 64 1.676 -9.399 -31.432 1.00 63.52 H new ATOM 0 HA LYS A 64 3.291 -10.508 -33.500 1.00 42.31 H new ATOM 0 HB2 LYS A 64 1.254 -9.062 -33.781 1.00 13.34 H new ATOM 0 HB3 LYS A 64 2.131 -7.710 -33.092 1.00 13.34 H new ATOM 0 HG2 LYS A 64 3.844 -8.348 -35.130 1.00 35.20 H new ATOM 0 HG3 LYS A 64 2.345 -8.922 -35.833 1.00 35.20 H new ATOM 0 HD2 LYS A 64 2.767 -6.579 -36.509 1.00 62.32 H new ATOM 0 HD3 LYS A 64 1.312 -6.675 -35.537 1.00 62.32 H new ATOM 0 HE2 LYS A 64 2.495 -5.848 -33.552 1.00 51.32 H new ATOM 0 HE3 LYS A 64 4.044 -5.959 -34.364 1.00 51.32 H new ATOM 0 HZ1 LYS A 64 3.240 -3.693 -34.315 1.00 44.22 H new ATOM 0 HZ2 LYS A 64 3.320 -4.245 -35.919 1.00 44.22 H new ATOM 0 HZ3 LYS A 64 1.820 -4.137 -35.132 1.00 44.22 H new ATOM 1000 N LEU A 65 4.694 -8.285 -31.524 1.00 53.15 N ATOM 1001 CA LEU A 65 5.986 -7.709 -31.077 1.00 33.42 C ATOM 1002 C LEU A 65 6.994 -8.824 -30.697 1.00 54.51 C ATOM 1003 O LEU A 65 8.188 -8.563 -30.521 1.00 35.33 O ATOM 1004 CB LEU A 65 5.771 -6.764 -29.864 1.00 12.31 C ATOM 1005 CG LEU A 65 4.779 -5.578 -30.068 1.00 22.42 C ATOM 1006 CD1 LEU A 65 4.523 -4.822 -28.745 1.00 50.43 C ATOM 1007 CD2 LEU A 65 5.273 -4.624 -31.170 1.00 34.25 C ATOM 0 H LEU A 65 3.922 -8.102 -30.883 1.00 53.15 H new ATOM 0 HA LEU A 65 6.398 -7.137 -31.908 1.00 33.42 H new ATOM 0 HB2 LEU A 65 5.418 -7.363 -29.025 1.00 12.31 H new ATOM 0 HB3 LEU A 65 6.739 -6.353 -29.577 1.00 12.31 H new ATOM 0 HG LEU A 65 3.827 -5.997 -30.394 1.00 22.42 H new ATOM 0 HD11 LEU A 65 3.827 -4.002 -28.923 1.00 50.43 H new ATOM 0 HD12 LEU A 65 4.097 -5.506 -28.011 1.00 50.43 H new ATOM 0 HD13 LEU A 65 5.464 -4.424 -28.366 1.00 50.43 H new ATOM 0 HD21 LEU A 65 4.561 -3.807 -31.290 1.00 34.25 H new ATOM 0 HD22 LEU A 65 6.246 -4.220 -30.892 1.00 34.25 H new ATOM 0 HD23 LEU A 65 5.362 -5.169 -32.110 1.00 34.25 H new ATOM 1019 N HIS A 66 6.483 -10.064 -30.559 1.00 54.51 N ATOM 1020 CA HIS A 66 7.290 -11.269 -30.292 1.00 43.11 C ATOM 1021 C HIS A 66 7.556 -12.044 -31.604 1.00 23.24 C ATOM 1022 O HIS A 66 7.650 -13.282 -31.594 1.00 43.44 O ATOM 1023 CB HIS A 66 6.568 -12.167 -29.253 1.00 0.41 C ATOM 1024 CG HIS A 66 6.366 -11.542 -27.909 1.00 12.31 C ATOM 1025 ND1 HIS A 66 7.397 -11.253 -27.059 1.00 60.10 N ATOM 1026 CD2 HIS A 66 5.228 -11.157 -27.268 1.00 71.41 C ATOM 1027 CE1 HIS A 66 6.884 -10.716 -25.959 1.00 42.34 C ATOM 1028 NE2 HIS A 66 5.563 -10.633 -26.026 1.00 41.21 N ATOM 0 H HIS A 66 5.484 -10.258 -30.631 1.00 54.51 H new ATOM 0 HA HIS A 66 8.253 -10.968 -29.880 1.00 43.11 H new ATOM 0 HB2 HIS A 66 5.595 -12.451 -29.655 1.00 0.41 H new ATOM 0 HB3 HIS A 66 7.142 -13.085 -29.128 1.00 0.41 H new ATOM 0 HD2 HIS A 66 4.226 -11.245 -27.662 1.00 71.41 H new ATOM 0 HE1 HIS A 66 7.471 -10.387 -25.114 1.00 42.34 H new ATOM 0 HE2 HIS A 66 4.929 -10.264 -25.318 1.00 41.21 H new