USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 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 70 HIS : no HD1:sc= -5.05 X(o=-5.6,f=-5.6!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= -0.537 USER MOD Set 2.1: A 52 CYS SG : rot 180:sc= 0.0672 USER MOD Set 2.2: A 99 TYR OH : rot 16:sc= 0.0688 USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= -0.176 (180deg=-2.11) USER MOD Single : A 33 ASN : amide:sc= -4.61! C(o=-4.6!,f=-6.6!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 11:sc= -0.178 USER MOD Single : A 45 ASN : amide:sc= 0.333 K(o=0.33,f=-2.8!) USER MOD Single : A 49 CYS SG : rot 48:sc= 0.601 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.6) USER MOD Single : A 64 CYS SG : rot -68:sc= -7.66! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 150:sc= 0.234 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.223 F(o=-0.78,f=-0.22) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.67 F(o=-1.3,f=-0.67) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.248 F(o=-2.3!,f=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 121:sc= 0.0489 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.063 USER MOD Single : A 108 CYS SG : rot 13:sc= 0.154 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -6.59! C(o=-6.6!,f=-17!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.8!) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 424 N ARG A 27 -8.124 -25.865 11.506 1.00 0.00 N ATOM 425 CA ARG A 27 -8.833 -27.133 11.386 1.00 0.00 C ATOM 426 C ARG A 27 -8.815 -27.632 9.944 1.00 0.00 C ATOM 427 O ARG A 27 -8.331 -26.946 9.044 1.00 0.00 O ATOM 428 CB ARG A 27 -10.278 -26.981 11.867 1.00 0.00 C ATOM 429 CG ARG A 27 -11.120 -26.073 10.986 1.00 0.00 C ATOM 430 CD ARG A 27 -11.811 -26.854 9.879 1.00 0.00 C ATOM 431 NE ARG A 27 -13.011 -26.176 9.397 1.00 0.00 N ATOM 432 CZ ARG A 27 -12.984 -25.098 8.622 1.00 0.00 C ATOM 433 NH1 ARG A 27 -11.825 -24.578 8.243 1.00 0.00 N ATOM 434 NH2 ARG A 27 -14.119 -24.537 8.224 1.00 0.00 N ATOM 0 HA ARG A 27 -8.324 -27.866 12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.743 -27.966 11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.274 -26.586 12.883 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.867 -25.565 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.487 -25.301 10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.118 -26.997 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.078 -27.845 10.247 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.919 -26.551 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.950 -25.006 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.808 -23.750 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.013 -24.934 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.097 -23.709 7.629 1.00 0.00 H new ATOM 448 N LYS A 28 -9.346 -28.831 9.732 1.00 0.00 N ATOM 449 CA LYS A 28 -9.392 -29.423 8.400 1.00 0.00 C ATOM 450 C LYS A 28 -10.829 -29.524 7.899 1.00 0.00 C ATOM 451 O LYS A 28 -11.775 -29.498 8.687 1.00 0.00 O ATOM 452 CB LYS A 28 -8.747 -30.811 8.414 1.00 0.00 C ATOM 453 CG LYS A 28 -7.232 -30.777 8.517 1.00 0.00 C ATOM 454 CD LYS A 28 -6.771 -30.778 9.965 1.00 0.00 C ATOM 455 CE LYS A 28 -5.705 -31.835 10.209 1.00 0.00 C ATOM 456 NZ LYS A 28 -6.260 -33.037 10.891 1.00 0.00 N ATOM 0 H LYS A 28 -9.751 -29.412 10.466 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.834 -28.776 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.147 -31.380 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.029 -31.343 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.812 -31.640 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.852 -29.888 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.376 -29.795 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.623 -30.961 10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.262 -32.130 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.905 -31.410 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.629 -33.317 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.202 -32.816 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.336 -33.819 10.209 1.00 0.00 H new ATOM 470 N PHE A 29 -10.986 -29.640 6.585 1.00 0.00 N ATOM 471 CA PHE A 29 -12.308 -29.746 5.979 1.00 0.00 C ATOM 472 C PHE A 29 -12.202 -30.119 4.503 1.00 0.00 C ATOM 473 O PHE A 29 -11.408 -29.541 3.761 1.00 0.00 O ATOM 474 CB PHE A 29 -13.068 -28.426 6.129 1.00 0.00 C ATOM 475 CG PHE A 29 -14.333 -28.367 5.321 1.00 0.00 C ATOM 476 CD1 PHE A 29 -14.302 -27.992 3.987 1.00 0.00 C ATOM 477 CD2 PHE A 29 -15.553 -28.685 5.895 1.00 0.00 C ATOM 478 CE1 PHE A 29 -15.464 -27.937 3.241 1.00 0.00 C ATOM 479 CE2 PHE A 29 -16.718 -28.633 5.154 1.00 0.00 C ATOM 480 CZ PHE A 29 -16.674 -28.257 3.825 1.00 0.00 C ATOM 0 H PHE A 29 -10.214 -29.663 5.919 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.855 -30.534 6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.311 -28.273 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.417 -27.605 5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.359 -27.740 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -15.594 -28.977 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.426 -27.644 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.662 -28.886 5.613 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.584 -28.213 3.244 1.00 0.00 H new ATOM 490 N ILE A 30 -13.008 -31.091 4.086 1.00 0.00 N ATOM 491 CA ILE A 30 -13.005 -31.542 2.700 1.00 0.00 C ATOM 492 C ILE A 30 -14.360 -32.120 2.307 1.00 0.00 C ATOM 493 O ILE A 30 -15.109 -32.605 3.156 1.00 0.00 O ATOM 494 CB ILE A 30 -11.916 -32.603 2.455 1.00 0.00 C ATOM 495 CG1 ILE A 30 -12.152 -33.822 3.350 1.00 0.00 C ATOM 496 CG2 ILE A 30 -10.536 -32.014 2.706 1.00 0.00 C ATOM 497 CD1 ILE A 30 -11.478 -33.720 4.700 1.00 0.00 C ATOM 0 H ILE A 30 -13.670 -31.580 4.688 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.793 -30.668 2.084 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.968 -32.923 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.224 -33.952 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.790 -34.714 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.777 -32.776 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.371 -31.174 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.470 -31.669 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.688 -34.618 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.401 -33.621 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.858 -32.847 5.231 1.00 0.00 H new ATOM 509 N ILE A 31 -14.669 -32.066 1.016 1.00 0.00 N ATOM 510 CA ILE A 31 -15.933 -32.587 0.511 1.00 0.00 C ATOM 511 C ILE A 31 -15.702 -33.613 -0.594 1.00 0.00 C ATOM 512 O ILE A 31 -14.756 -33.500 -1.372 1.00 0.00 O ATOM 513 CB ILE A 31 -16.830 -31.459 -0.031 1.00 0.00 C ATOM 514 CG1 ILE A 31 -16.334 -30.099 0.466 1.00 0.00 C ATOM 515 CG2 ILE A 31 -18.276 -31.686 0.386 1.00 0.00 C ATOM 516 CD1 ILE A 31 -17.103 -28.929 -0.107 1.00 0.00 C ATOM 0 H ILE A 31 -14.061 -31.667 0.301 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.435 -33.067 1.351 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.780 -31.467 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.403 -30.071 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -15.280 -29.990 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -18.898 -30.881 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.624 -32.639 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.343 -31.701 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.697 -27.998 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.013 -28.931 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.154 -29.013 0.170 1.00 0.00 H new ATOM 528 N ALA A 32 -16.575 -34.613 -0.657 1.00 0.00 N ATOM 529 CA ALA A 32 -16.469 -35.657 -1.668 1.00 0.00 C ATOM 530 C ALA A 32 -17.800 -35.866 -2.383 1.00 0.00 C ATOM 531 O ALA A 32 -18.849 -35.444 -1.897 1.00 0.00 O ATOM 532 CB ALA A 32 -15.997 -36.958 -1.036 1.00 0.00 C ATOM 0 H ALA A 32 -17.364 -34.722 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.735 -35.338 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.922 -37.729 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.020 -36.806 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.710 -37.272 -0.274 1.00 0.00 H new ATOM 538 N ASN A 33 -17.749 -36.519 -3.539 1.00 0.00 N ATOM 539 CA ASN A 33 -18.952 -36.783 -4.321 1.00 0.00 C ATOM 540 C ASN A 33 -19.471 -38.194 -4.062 1.00 0.00 C ATOM 541 O ASN A 33 -18.694 -39.120 -3.834 1.00 0.00 O ATOM 542 CB ASN A 33 -18.665 -36.599 -5.813 1.00 0.00 C ATOM 543 CG ASN A 33 -17.533 -37.484 -6.298 1.00 0.00 C ATOM 544 OD1 ASN A 33 -17.009 -38.307 -5.547 1.00 0.00 O ATOM 545 ND2 ASN A 33 -17.151 -37.318 -7.559 1.00 0.00 N ATOM 0 H ASN A 33 -16.889 -36.875 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 33 -19.719 -36.071 -4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -19.567 -36.822 -6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -18.415 -35.556 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.394 -37.885 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.614 -36.623 -8.145 1.00 0.00 H new ATOM 552 N ALA A 34 -20.790 -38.349 -4.099 1.00 0.00 N ATOM 553 CA ALA A 34 -21.414 -39.647 -3.871 1.00 0.00 C ATOM 554 C ALA A 34 -20.688 -40.747 -4.639 1.00 0.00 C ATOM 555 O ALA A 34 -20.304 -41.766 -4.066 1.00 0.00 O ATOM 556 CB ALA A 34 -22.882 -39.604 -4.268 1.00 0.00 C ATOM 0 H ALA A 34 -21.448 -37.592 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.343 -39.875 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -23.335 -40.580 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -23.398 -38.852 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.966 -39.350 -5.325 1.00 0.00 H new ATOM 631 N CYS A 39 -14.793 -39.626 -8.420 1.00 0.00 N ATOM 632 CA CYS A 39 -14.899 -40.597 -7.338 1.00 0.00 C ATOM 633 C CYS A 39 -13.889 -40.296 -6.235 1.00 0.00 C ATOM 634 O CYS A 39 -13.397 -41.203 -5.566 1.00 0.00 O ATOM 635 CB CYS A 39 -14.682 -42.014 -7.872 1.00 0.00 C ATOM 636 SG CYS A 39 -15.825 -43.241 -7.196 1.00 0.00 S ATOM 0 HA CYS A 39 -15.902 -40.525 -6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -14.781 -42.001 -8.957 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -13.661 -42.323 -7.648 1.00 0.00 H new ATOM 0 HG CYS A 39 -15.564 -44.407 -7.709 1.00 0.00 H new ATOM 642 N ALA A 40 -13.584 -39.015 -6.054 1.00 0.00 N ATOM 643 CA ALA A 40 -12.632 -38.594 -5.033 1.00 0.00 C ATOM 644 C ALA A 40 -13.010 -37.233 -4.458 1.00 0.00 C ATOM 645 O ALA A 40 -13.997 -36.625 -4.873 1.00 0.00 O ATOM 646 CB ALA A 40 -11.224 -38.553 -5.609 1.00 0.00 C ATOM 0 H ALA A 40 -13.982 -38.251 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.660 -39.322 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.524 -38.237 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.948 -39.545 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.191 -37.847 -6.439 1.00 0.00 H new ATOM 652 N VAL A 41 -12.220 -36.760 -3.500 1.00 0.00 N ATOM 653 CA VAL A 41 -12.472 -35.471 -2.868 1.00 0.00 C ATOM 654 C VAL A 41 -12.709 -34.385 -3.911 1.00 0.00 C ATOM 655 O VAL A 41 -11.847 -34.114 -4.747 1.00 0.00 O ATOM 656 CB VAL A 41 -11.298 -35.051 -1.963 1.00 0.00 C ATOM 657 CG1 VAL A 41 -11.550 -33.674 -1.367 1.00 0.00 C ATOM 658 CG2 VAL A 41 -11.075 -36.082 -0.867 1.00 0.00 C ATOM 0 H VAL A 41 -11.399 -37.251 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.368 -35.587 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.394 -34.999 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.711 -33.394 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.657 -32.944 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.464 -33.696 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.242 -35.769 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.976 -36.169 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.847 -37.048 -1.317 1.00 0.00 H new ATOM 668 N ILE A 42 -13.883 -33.765 -3.855 1.00 0.00 N ATOM 669 CA ILE A 42 -14.233 -32.707 -4.794 1.00 0.00 C ATOM 670 C ILE A 42 -13.707 -31.356 -4.321 1.00 0.00 C ATOM 671 O ILE A 42 -13.176 -30.574 -5.110 1.00 0.00 O ATOM 672 CB ILE A 42 -15.758 -32.611 -4.991 1.00 0.00 C ATOM 673 CG1 ILE A 42 -16.341 -33.989 -5.310 1.00 0.00 C ATOM 674 CG2 ILE A 42 -16.087 -31.621 -6.098 1.00 0.00 C ATOM 675 CD1 ILE A 42 -15.833 -34.574 -6.609 1.00 0.00 C ATOM 0 H ILE A 42 -14.608 -33.977 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.767 -32.963 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 42 -16.208 -32.253 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -16.103 -34.673 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -17.427 -33.913 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -17.168 -31.564 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.700 -30.637 -5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.629 -31.952 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -16.288 -35.551 -6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -16.095 -33.911 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.749 -34.682 -6.560 1.00 0.00 H new ATOM 687 N TYR A 43 -13.856 -31.089 -3.028 1.00 0.00 N ATOM 688 CA TYR A 43 -13.396 -29.832 -2.450 1.00 0.00 C ATOM 689 C TYR A 43 -12.531 -30.084 -1.219 1.00 0.00 C ATOM 690 O TYR A 43 -12.630 -31.132 -0.580 1.00 0.00 O ATOM 691 CB TYR A 43 -14.590 -28.951 -2.076 1.00 0.00 C ATOM 692 CG TYR A 43 -14.712 -27.706 -2.925 1.00 0.00 C ATOM 693 CD1 TYR A 43 -14.050 -26.536 -2.576 1.00 0.00 C ATOM 694 CD2 TYR A 43 -15.490 -27.700 -4.076 1.00 0.00 C ATOM 695 CE1 TYR A 43 -14.159 -25.395 -3.348 1.00 0.00 C ATOM 696 CE2 TYR A 43 -15.604 -26.565 -4.855 1.00 0.00 C ATOM 697 CZ TYR A 43 -14.937 -25.415 -4.487 1.00 0.00 C ATOM 698 OH TYR A 43 -15.048 -24.281 -5.259 1.00 0.00 O ATOM 0 H TYR A 43 -14.291 -31.726 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.793 -29.317 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.505 -29.535 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.503 -28.660 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.439 -26.518 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -16.015 -28.598 -4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.638 -24.493 -3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.212 -26.578 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.631 -24.463 -6.025 1.00 0.00 H new ATOM 708 N CYS A 44 -11.684 -29.114 -0.891 1.00 0.00 N ATOM 709 CA CYS A 44 -10.800 -29.229 0.263 1.00 0.00 C ATOM 710 C CYS A 44 -10.429 -27.852 0.803 1.00 0.00 C ATOM 711 O CYS A 44 -10.404 -26.870 0.062 1.00 0.00 O ATOM 712 CB CYS A 44 -9.534 -30.000 -0.113 1.00 0.00 C ATOM 713 SG CYS A 44 -8.439 -29.115 -1.247 1.00 0.00 S ATOM 0 H CYS A 44 -11.591 -28.240 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.331 -29.775 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.982 -30.237 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.821 -30.948 -0.568 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.825 -27.877 -1.345 1.00 0.00 H new ATOM 719 N ASN A 45 -10.143 -27.787 2.100 1.00 0.00 N ATOM 720 CA ASN A 45 -9.777 -26.529 2.740 1.00 0.00 C ATOM 721 C ASN A 45 -8.263 -26.337 2.734 1.00 0.00 C ATOM 722 O ASN A 45 -7.536 -27.073 2.067 1.00 0.00 O ATOM 723 CB ASN A 45 -10.301 -26.493 4.177 1.00 0.00 C ATOM 724 CG ASN A 45 -10.904 -25.149 4.538 1.00 0.00 C ATOM 725 OD1 ASN A 45 -10.194 -24.223 4.931 1.00 0.00 O ATOM 726 ND2 ASN A 45 -12.220 -25.037 4.407 1.00 0.00 N ATOM 0 H ASN A 45 -10.158 -28.591 2.728 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.231 -25.716 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.052 -27.272 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.486 -26.719 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.682 -24.157 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.769 -25.831 4.078 1.00 0.00 H new ATOM 733 N ASP A 46 -7.796 -25.343 3.481 1.00 0.00 N ATOM 734 CA ASP A 46 -6.369 -25.054 3.563 1.00 0.00 C ATOM 735 C ASP A 46 -5.634 -26.154 4.323 1.00 0.00 C ATOM 736 O ASP A 46 -4.552 -26.582 3.924 1.00 0.00 O ATOM 737 CB ASP A 46 -6.138 -23.704 4.245 1.00 0.00 C ATOM 738 CG ASP A 46 -5.060 -22.887 3.562 1.00 0.00 C ATOM 739 OD1 ASP A 46 -5.329 -22.347 2.468 1.00 0.00 O ATOM 740 OD2 ASP A 46 -3.949 -22.786 4.121 1.00 0.00 O ATOM 0 H ASP A 46 -8.385 -24.724 4.038 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.974 -25.012 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.070 -23.139 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.860 -23.869 5.286 1.00 0.00 H new ATOM 745 N GLY A 47 -6.231 -26.607 5.422 1.00 0.00 N ATOM 746 CA GLY A 47 -5.618 -27.652 6.221 1.00 0.00 C ATOM 747 C GLY A 47 -5.281 -28.884 5.405 1.00 0.00 C ATOM 748 O GLY A 47 -4.170 -29.408 5.489 1.00 0.00 O ATOM 0 H GLY A 47 -7.127 -26.269 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.709 -27.266 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.293 -27.930 7.030 1.00 0.00 H new ATOM 752 N PHE A 48 -6.243 -29.349 4.614 1.00 0.00 N ATOM 753 CA PHE A 48 -6.043 -30.529 3.781 1.00 0.00 C ATOM 754 C PHE A 48 -4.760 -30.408 2.965 1.00 0.00 C ATOM 755 O PHE A 48 -3.906 -31.295 2.995 1.00 0.00 O ATOM 756 CB PHE A 48 -7.239 -30.727 2.847 1.00 0.00 C ATOM 757 CG PHE A 48 -7.272 -32.080 2.195 1.00 0.00 C ATOM 758 CD1 PHE A 48 -7.264 -33.234 2.962 1.00 0.00 C ATOM 759 CD2 PHE A 48 -7.311 -32.198 0.815 1.00 0.00 C ATOM 760 CE1 PHE A 48 -7.293 -34.480 2.365 1.00 0.00 C ATOM 761 CE2 PHE A 48 -7.341 -33.441 0.212 1.00 0.00 C ATOM 762 CZ PHE A 48 -7.333 -34.583 0.988 1.00 0.00 C ATOM 0 H PHE A 48 -7.168 -28.927 4.533 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.954 -31.396 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.160 -30.582 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.217 -29.960 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.235 -33.159 4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.318 -31.308 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.284 -35.372 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.371 -33.519 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.358 -35.556 0.519 1.00 0.00 H new ATOM 772 N CYS A 49 -4.631 -29.304 2.236 1.00 0.00 N ATOM 773 CA CYS A 49 -3.453 -29.067 1.410 1.00 0.00 C ATOM 774 C CYS A 49 -2.210 -28.885 2.275 1.00 0.00 C ATOM 775 O CYS A 49 -1.135 -29.384 1.946 1.00 0.00 O ATOM 776 CB CYS A 49 -3.662 -27.833 0.530 1.00 0.00 C ATOM 777 SG CYS A 49 -2.181 -27.303 -0.361 1.00 0.00 S ATOM 0 H CYS A 49 -5.328 -28.560 2.201 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.305 -29.939 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.451 -28.044 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.012 -27.010 1.154 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.633 -28.329 -0.941 1.00 0.00 H new ATOM 783 N GLU A 50 -2.366 -28.165 3.382 1.00 0.00 N ATOM 784 CA GLU A 50 -1.255 -27.915 4.292 1.00 0.00 C ATOM 785 C GLU A 50 -0.787 -29.211 4.948 1.00 0.00 C ATOM 786 O GLU A 50 0.333 -29.295 5.454 1.00 0.00 O ATOM 787 CB GLU A 50 -1.664 -26.905 5.367 1.00 0.00 C ATOM 788 CG GLU A 50 -0.611 -25.844 5.637 1.00 0.00 C ATOM 789 CD GLU A 50 -0.987 -24.928 6.786 1.00 0.00 C ATOM 790 OE1 GLU A 50 -1.995 -24.202 6.659 1.00 0.00 O ATOM 791 OE2 GLU A 50 -0.274 -24.938 7.811 1.00 0.00 O ATOM 0 H GLU A 50 -3.250 -27.745 3.670 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.429 -27.503 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.590 -26.417 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.876 -27.439 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.339 -26.329 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.461 -25.248 4.736 1.00 0.00 H new ATOM 798 N LEU A 51 -1.653 -30.218 4.937 1.00 0.00 N ATOM 799 CA LEU A 51 -1.330 -31.511 5.531 1.00 0.00 C ATOM 800 C LEU A 51 -0.597 -32.401 4.533 1.00 0.00 C ATOM 801 O LEU A 51 0.489 -32.908 4.819 1.00 0.00 O ATOM 802 CB LEU A 51 -2.605 -32.207 6.011 1.00 0.00 C ATOM 803 CG LEU A 51 -2.798 -32.284 7.526 1.00 0.00 C ATOM 804 CD1 LEU A 51 -1.819 -33.274 8.138 1.00 0.00 C ATOM 805 CD2 LEU A 51 -2.633 -30.909 8.155 1.00 0.00 C ATOM 0 H LEU A 51 -2.584 -30.165 4.524 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.675 -31.337 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.462 -31.688 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.614 -33.221 5.612 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.811 -32.634 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.971 -33.316 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.985 -34.262 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.799 -32.954 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.774 -30.983 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.633 -30.530 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.374 -30.227 7.738 1.00 0.00 H new ATOM 817 N CYS A 52 -1.195 -32.585 3.361 1.00 0.00 N ATOM 818 CA CYS A 52 -0.598 -33.413 2.319 1.00 0.00 C ATOM 819 C CYS A 52 0.558 -32.683 1.641 1.00 0.00 C ATOM 820 O CYS A 52 1.281 -33.262 0.832 1.00 0.00 O ATOM 821 CB CYS A 52 -1.651 -33.801 1.281 1.00 0.00 C ATOM 822 SG CYS A 52 -1.367 -35.410 0.507 1.00 0.00 S ATOM 0 H CYS A 52 -2.093 -32.172 3.109 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.209 -34.318 2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.631 -33.807 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.679 -33.036 0.505 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.311 -35.650 -0.354 1.00 0.00 H new ATOM 828 N GLY A 53 0.723 -31.407 1.975 1.00 0.00 N ATOM 829 CA GLY A 53 1.791 -30.619 1.388 1.00 0.00 C ATOM 830 C GLY A 53 1.809 -30.704 -0.126 1.00 0.00 C ATOM 831 O GLY A 53 2.853 -30.522 -0.752 1.00 0.00 O ATOM 0 H GLY A 53 0.136 -30.905 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.678 -29.578 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.749 -30.962 1.780 1.00 0.00 H new ATOM 835 N TYR A 54 0.652 -30.983 -0.715 1.00 0.00 N ATOM 836 CA TYR A 54 0.540 -31.096 -2.164 1.00 0.00 C ATOM 837 C TYR A 54 0.089 -29.775 -2.780 1.00 0.00 C ATOM 838 O TYR A 54 -0.088 -28.779 -2.080 1.00 0.00 O ATOM 839 CB TYR A 54 -0.443 -32.207 -2.535 1.00 0.00 C ATOM 840 CG TYR A 54 0.226 -33.457 -3.062 1.00 0.00 C ATOM 841 CD1 TYR A 54 1.341 -33.990 -2.429 1.00 0.00 C ATOM 842 CD2 TYR A 54 -0.257 -34.103 -4.193 1.00 0.00 C ATOM 843 CE1 TYR A 54 1.957 -35.131 -2.906 1.00 0.00 C ATOM 844 CE2 TYR A 54 0.351 -35.246 -4.677 1.00 0.00 C ATOM 845 CZ TYR A 54 1.457 -35.755 -4.030 1.00 0.00 C ATOM 846 OH TYR A 54 2.066 -36.892 -4.510 1.00 0.00 O ATOM 0 H TYR A 54 -0.222 -31.135 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 54 1.524 -31.344 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.035 -32.465 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.136 -31.831 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.734 -33.504 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.122 -33.705 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.824 -35.532 -2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.038 -35.737 -5.557 1.00 0.00 H new ATOM 0 HH TYR A 54 1.590 -37.207 -5.306 1.00 0.00 H new ATOM 856 N SER A 55 -0.097 -29.777 -4.097 1.00 0.00 N ATOM 857 CA SER A 55 -0.524 -28.579 -4.810 1.00 0.00 C ATOM 858 C SER A 55 -2.045 -28.530 -4.926 1.00 0.00 C ATOM 859 O SER A 55 -2.715 -29.561 -4.882 1.00 0.00 O ATOM 860 CB SER A 55 0.106 -28.537 -6.203 1.00 0.00 C ATOM 861 OG SER A 55 0.330 -27.201 -6.621 1.00 0.00 O ATOM 0 H SER A 55 0.041 -30.595 -4.691 1.00 0.00 H new ATOM 0 HA SER A 55 -0.191 -27.710 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.050 -29.082 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.547 -29.040 -6.916 1.00 0.00 H new ATOM 0 HG SER A 55 0.735 -27.201 -7.513 1.00 0.00 H new ATOM 867 N ARG A 56 -2.582 -27.323 -5.074 1.00 0.00 N ATOM 868 CA ARG A 56 -4.023 -27.138 -5.195 1.00 0.00 C ATOM 869 C ARG A 56 -4.564 -27.868 -6.421 1.00 0.00 C ATOM 870 O ARG A 56 -5.760 -28.140 -6.516 1.00 0.00 O ATOM 871 CB ARG A 56 -4.361 -25.648 -5.285 1.00 0.00 C ATOM 872 CG ARG A 56 -5.845 -25.370 -5.459 1.00 0.00 C ATOM 873 CD ARG A 56 -6.181 -23.921 -5.146 1.00 0.00 C ATOM 874 NE ARG A 56 -7.617 -23.716 -4.977 1.00 0.00 N ATOM 875 CZ ARG A 56 -8.167 -22.531 -4.734 1.00 0.00 C ATOM 876 NH1 ARG A 56 -7.404 -21.451 -4.632 1.00 0.00 N ATOM 877 NH2 ARG A 56 -9.482 -22.425 -4.593 1.00 0.00 N ATOM 0 H ARG A 56 -2.041 -26.459 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.494 -27.558 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.010 -25.149 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.817 -25.211 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.142 -25.601 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.418 -26.027 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.662 -23.617 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.816 -23.282 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.232 -24.527 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.393 -21.529 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.828 -20.542 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.072 -23.254 -4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.903 -21.515 -4.406 1.00 0.00 H new ATOM 891 N ALA A 57 -3.674 -28.182 -7.357 1.00 0.00 N ATOM 892 CA ALA A 57 -4.062 -28.882 -8.575 1.00 0.00 C ATOM 893 C ALA A 57 -3.991 -30.394 -8.386 1.00 0.00 C ATOM 894 O ALA A 57 -4.634 -31.150 -9.113 1.00 0.00 O ATOM 895 CB ALA A 57 -3.176 -28.452 -9.735 1.00 0.00 C ATOM 0 H ALA A 57 -2.680 -27.963 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.095 -28.619 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.477 -28.982 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.279 -27.378 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.137 -28.687 -9.505 1.00 0.00 H new ATOM 901 N GLU A 58 -3.205 -30.827 -7.405 1.00 0.00 N ATOM 902 CA GLU A 58 -3.050 -32.249 -7.122 1.00 0.00 C ATOM 903 C GLU A 58 -3.784 -32.632 -5.840 1.00 0.00 C ATOM 904 O GLU A 58 -3.741 -33.783 -5.407 1.00 0.00 O ATOM 905 CB GLU A 58 -1.568 -32.609 -7.001 1.00 0.00 C ATOM 906 CG GLU A 58 -0.803 -32.483 -8.308 1.00 0.00 C ATOM 907 CD GLU A 58 0.377 -33.432 -8.387 1.00 0.00 C ATOM 908 OE1 GLU A 58 1.184 -33.458 -7.434 1.00 0.00 O ATOM 909 OE2 GLU A 58 0.493 -34.149 -9.403 1.00 0.00 O ATOM 0 H GLU A 58 -2.666 -30.214 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.486 -32.808 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.105 -31.963 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.480 -33.632 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.479 -32.679 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.449 -31.458 -8.420 1.00 0.00 H new ATOM 916 N VAL A 59 -4.457 -31.657 -5.237 1.00 0.00 N ATOM 917 CA VAL A 59 -5.200 -31.890 -4.004 1.00 0.00 C ATOM 918 C VAL A 59 -6.670 -32.172 -4.295 1.00 0.00 C ATOM 919 O VAL A 59 -7.365 -32.791 -3.489 1.00 0.00 O ATOM 920 CB VAL A 59 -5.098 -30.686 -3.050 1.00 0.00 C ATOM 921 CG1 VAL A 59 -5.952 -29.532 -3.554 1.00 0.00 C ATOM 922 CG2 VAL A 59 -5.507 -31.087 -1.641 1.00 0.00 C ATOM 0 H VAL A 59 -4.503 -30.698 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.753 -32.761 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.060 -30.353 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.868 -28.690 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.608 -29.230 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.993 -29.849 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.429 -30.224 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.536 -31.446 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.849 -31.879 -1.283 1.00 0.00 H new ATOM 932 N MET A 60 -7.138 -31.713 -5.451 1.00 0.00 N ATOM 933 CA MET A 60 -8.526 -31.917 -5.849 1.00 0.00 C ATOM 934 C MET A 60 -8.690 -33.239 -6.591 1.00 0.00 C ATOM 935 O MET A 60 -9.309 -33.292 -7.653 1.00 0.00 O ATOM 936 CB MET A 60 -9.001 -30.761 -6.732 1.00 0.00 C ATOM 937 CG MET A 60 -9.353 -29.505 -5.952 1.00 0.00 C ATOM 938 SD MET A 60 -9.600 -28.072 -7.017 1.00 0.00 S ATOM 939 CE MET A 60 -11.381 -28.096 -7.209 1.00 0.00 C ATOM 0 H MET A 60 -6.576 -31.197 -6.129 1.00 0.00 H new ATOM 0 HA MET A 60 -9.136 -31.949 -4.946 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.221 -30.523 -7.455 1.00 0.00 H new ATOM 0 HB3 MET A 60 -9.874 -31.083 -7.299 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.260 -29.683 -5.374 1.00 0.00 H new ATOM 0 HG3 MET A 60 -8.557 -29.290 -5.239 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.690 -27.266 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.685 -29.037 -7.667 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.854 -27.999 -6.232 1.00 0.00 H new ATOM 949 N GLN A 61 -8.132 -34.304 -6.024 1.00 0.00 N ATOM 950 CA GLN A 61 -8.217 -35.626 -6.633 1.00 0.00 C ATOM 951 C GLN A 61 -7.617 -36.687 -5.716 1.00 0.00 C ATOM 952 O GLN A 61 -7.074 -37.689 -6.182 1.00 0.00 O ATOM 953 CB GLN A 61 -7.497 -35.636 -7.983 1.00 0.00 C ATOM 954 CG GLN A 61 -5.982 -35.644 -7.864 1.00 0.00 C ATOM 955 CD GLN A 61 -5.296 -35.128 -9.114 1.00 0.00 C ATOM 956 OE1 GLN A 61 -5.061 -33.928 -9.256 1.00 0.00 O ATOM 957 NE2 GLN A 61 -4.969 -36.034 -10.028 1.00 0.00 N ATOM 0 H GLN A 61 -7.617 -34.277 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.270 -35.860 -6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.813 -36.513 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.804 -34.761 -8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.685 -35.032 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.643 -36.660 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.183 -37.019 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.504 -35.745 -10.889 1.00 0.00 H new ATOM 966 N ARG A 62 -7.720 -36.461 -4.411 1.00 0.00 N ATOM 967 CA ARG A 62 -7.186 -37.397 -3.429 1.00 0.00 C ATOM 968 C ARG A 62 -8.312 -38.162 -2.738 1.00 0.00 C ATOM 969 O ARG A 62 -9.446 -37.692 -2.641 1.00 0.00 O ATOM 970 CB ARG A 62 -6.347 -36.654 -2.388 1.00 0.00 C ATOM 971 CG ARG A 62 -5.320 -35.711 -2.993 1.00 0.00 C ATOM 972 CD ARG A 62 -3.901 -36.168 -2.696 1.00 0.00 C ATOM 973 NE ARG A 62 -3.270 -36.786 -3.860 1.00 0.00 N ATOM 974 CZ ARG A 62 -2.013 -37.217 -3.872 1.00 0.00 C ATOM 975 NH1 ARG A 62 -1.258 -37.099 -2.789 1.00 0.00 N ATOM 976 NH2 ARG A 62 -1.510 -37.767 -4.970 1.00 0.00 N ATOM 0 H ARG A 62 -8.168 -35.638 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.552 -38.112 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.011 -36.085 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.833 -37.383 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.467 -35.655 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.470 -34.706 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.306 -35.315 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.915 -36.880 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.824 -36.892 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.641 -36.677 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.294 -37.431 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.088 -37.859 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.545 -38.098 -4.979 1.00 0.00 H new ATOM 990 N PRO A 63 -7.994 -39.369 -2.248 1.00 0.00 N ATOM 991 CA PRO A 63 -8.965 -40.224 -1.559 1.00 0.00 C ATOM 992 C PRO A 63 -9.363 -39.667 -0.196 1.00 0.00 C ATOM 993 O PRO A 63 -8.527 -39.138 0.537 1.00 0.00 O ATOM 994 CB PRO A 63 -8.218 -41.550 -1.397 1.00 0.00 C ATOM 995 CG PRO A 63 -6.776 -41.176 -1.409 1.00 0.00 C ATOM 996 CD PRO A 63 -6.662 -39.992 -2.329 1.00 0.00 C ATOM 0 HA PRO A 63 -9.899 -40.310 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.490 -42.047 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.455 -42.240 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.430 -40.926 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.161 -42.004 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.878 -39.307 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.422 -40.296 -3.348 1.00 0.00 H new ATOM 1004 N CYS A 64 -10.643 -39.791 0.136 1.00 0.00 N ATOM 1005 CA CYS A 64 -11.152 -39.299 1.412 1.00 0.00 C ATOM 1006 C CYS A 64 -10.651 -40.161 2.566 1.00 0.00 C ATOM 1007 O CYS A 64 -10.811 -39.807 3.735 1.00 0.00 O ATOM 1008 CB CYS A 64 -12.682 -39.279 1.401 1.00 0.00 C ATOM 1009 SG CYS A 64 -13.397 -37.657 1.048 1.00 0.00 S ATOM 0 H CYS A 64 -11.347 -40.227 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.784 -38.283 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.039 -39.991 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.046 -39.621 2.370 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.154 -36.851 2.038 1.00 0.00 H new ATOM 1015 N THR A 65 -10.045 -41.296 2.231 1.00 0.00 N ATOM 1016 CA THR A 65 -9.523 -42.210 3.238 1.00 0.00 C ATOM 1017 C THR A 65 -8.043 -41.952 3.500 1.00 0.00 C ATOM 1018 O THR A 65 -7.400 -42.685 4.253 1.00 0.00 O ATOM 1019 CB THR A 65 -9.709 -43.679 2.814 1.00 0.00 C ATOM 1020 OG1 THR A 65 -11.001 -43.858 2.224 1.00 0.00 O ATOM 1021 CG2 THR A 65 -9.558 -44.610 4.008 1.00 0.00 C ATOM 0 H THR A 65 -9.904 -41.604 1.269 1.00 0.00 H new ATOM 0 HA THR A 65 -10.088 -42.029 4.152 1.00 0.00 H new ATOM 0 HB THR A 65 -8.939 -43.924 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.111 -44.794 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.693 -45.642 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.563 -44.492 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.309 -44.364 4.759 1.00 0.00 H new ATOM 1029 N CYS A 66 -7.510 -40.908 2.876 1.00 0.00 N ATOM 1030 CA CYS A 66 -6.104 -40.554 3.043 1.00 0.00 C ATOM 1031 C CYS A 66 -5.204 -41.749 2.746 1.00 0.00 C ATOM 1032 O CYS A 66 -4.162 -41.926 3.377 1.00 0.00 O ATOM 1033 CB CYS A 66 -5.849 -40.048 4.463 1.00 0.00 C ATOM 1034 SG CYS A 66 -7.067 -38.848 5.050 1.00 0.00 S ATOM 0 H CYS A 66 -8.029 -40.292 2.250 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.868 -39.760 2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.837 -40.899 5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.859 -39.594 4.503 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.181 -38.942 6.342 1.00 0.00 H new ATOM 1040 N ASP A 67 -5.614 -42.567 1.782 1.00 0.00 N ATOM 1041 CA ASP A 67 -4.844 -43.745 1.401 1.00 0.00 C ATOM 1042 C ASP A 67 -3.416 -43.364 1.027 1.00 0.00 C ATOM 1043 O ASP A 67 -2.460 -44.031 1.424 1.00 0.00 O ATOM 1044 CB ASP A 67 -5.517 -44.464 0.230 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.626 -45.522 -0.389 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -4.391 -46.557 0.268 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.164 -45.315 -1.530 1.00 0.00 O ATOM 0 H ASP A 67 -6.475 -42.436 1.251 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.808 -44.418 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.441 -44.928 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.792 -43.734 -0.531 1.00 0.00 H new ATOM 1052 N PHE A 68 -3.278 -42.288 0.259 1.00 0.00 N ATOM 1053 CA PHE A 68 -1.965 -41.819 -0.171 1.00 0.00 C ATOM 1054 C PHE A 68 -1.164 -41.284 1.012 1.00 0.00 C ATOM 1055 O PHE A 68 0.013 -40.948 0.879 1.00 0.00 O ATOM 1056 CB PHE A 68 -2.113 -40.730 -1.235 1.00 0.00 C ATOM 1057 CG PHE A 68 -1.835 -41.213 -2.630 1.00 0.00 C ATOM 1058 CD1 PHE A 68 -2.330 -42.431 -3.067 1.00 0.00 C ATOM 1059 CD2 PHE A 68 -1.077 -40.450 -3.503 1.00 0.00 C ATOM 1060 CE1 PHE A 68 -2.076 -42.879 -4.350 1.00 0.00 C ATOM 1061 CE2 PHE A 68 -0.820 -40.892 -4.787 1.00 0.00 C ATOM 1062 CZ PHE A 68 -1.319 -42.108 -5.211 1.00 0.00 C ATOM 0 H PHE A 68 -4.059 -41.725 -0.078 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.427 -42.665 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.125 -40.328 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.434 -39.910 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.921 -43.038 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.682 -39.499 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.469 -43.830 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.229 -40.287 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.118 -42.456 -6.214 1.00 0.00 H new ATOM 1072 N LEU A 69 -1.811 -41.206 2.170 1.00 0.00 N ATOM 1073 CA LEU A 69 -1.160 -40.712 3.378 1.00 0.00 C ATOM 1074 C LEU A 69 -0.959 -41.837 4.388 1.00 0.00 C ATOM 1075 O LEU A 69 -0.418 -41.622 5.474 1.00 0.00 O ATOM 1076 CB LEU A 69 -1.990 -39.590 4.006 1.00 0.00 C ATOM 1077 CG LEU A 69 -2.257 -38.375 3.117 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -3.650 -38.451 2.512 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -2.088 -37.087 3.910 1.00 0.00 C ATOM 0 H LEU A 69 -2.786 -41.479 2.298 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.182 -40.320 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.949 -40.005 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.481 -39.250 4.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.530 -38.377 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.821 -37.578 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.736 -39.355 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.392 -38.475 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.282 -36.232 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.791 -37.078 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.070 -37.027 4.294 1.00 0.00 H new ATOM 1091 N HIS A 70 -1.396 -43.038 4.023 1.00 0.00 N ATOM 1092 CA HIS A 70 -1.261 -44.199 4.896 1.00 0.00 C ATOM 1093 C HIS A 70 -1.006 -45.464 4.083 1.00 0.00 C ATOM 1094 O HIS A 70 -0.846 -45.409 2.864 1.00 0.00 O ATOM 1095 CB HIS A 70 -2.519 -44.371 5.749 1.00 0.00 C ATOM 1096 CG HIS A 70 -2.241 -44.875 7.131 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -0.973 -45.182 7.580 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -3.076 -45.125 8.167 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -1.041 -45.599 8.831 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -2.306 -45.574 9.212 1.00 0.00 N ATOM 0 H HIS A 70 -1.847 -43.233 3.129 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.406 -44.032 5.552 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.035 -43.413 5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.196 -45.063 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.148 -44.995 8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.204 -45.908 9.440 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.654 -45.844 10.132 1.00 0.00 H new ATOM 1108 N GLY A 71 -0.969 -46.604 4.766 1.00 0.00 N ATOM 1109 CA GLY A 71 -0.732 -47.866 4.091 1.00 0.00 C ATOM 1110 C GLY A 71 -1.485 -49.016 4.730 1.00 0.00 C ATOM 1111 O GLY A 71 -2.380 -48.819 5.552 1.00 0.00 O ATOM 0 H GLY A 71 -1.099 -46.676 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.029 -47.777 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.336 -48.085 4.101 1.00 0.00 H new ATOM 1115 N PRO A 72 -1.124 -50.250 4.348 1.00 0.00 N ATOM 1116 CA PRO A 72 -1.760 -51.460 4.877 1.00 0.00 C ATOM 1117 C PRO A 72 -1.414 -51.705 6.341 1.00 0.00 C ATOM 1118 O PRO A 72 -1.980 -52.590 6.983 1.00 0.00 O ATOM 1119 CB PRO A 72 -1.188 -52.575 3.998 1.00 0.00 C ATOM 1120 CG PRO A 72 0.119 -52.045 3.516 1.00 0.00 C ATOM 1121 CD PRO A 72 -0.065 -50.559 3.372 1.00 0.00 C ATOM 0 HA PRO A 72 -2.848 -51.393 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.057 -53.497 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.854 -52.804 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.917 -52.273 4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.397 -52.498 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.855 -50.017 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.361 -50.287 2.359 1.00 0.00 H new ATOM 1129 N ARG A 73 -0.481 -50.916 6.864 1.00 0.00 N ATOM 1130 CA ARG A 73 -0.058 -51.049 8.253 1.00 0.00 C ATOM 1131 C ARG A 73 -1.004 -50.294 9.183 1.00 0.00 C ATOM 1132 O ARG A 73 -0.915 -50.412 10.406 1.00 0.00 O ATOM 1133 CB ARG A 73 1.369 -50.527 8.426 1.00 0.00 C ATOM 1134 CG ARG A 73 2.318 -51.542 9.041 1.00 0.00 C ATOM 1135 CD ARG A 73 3.765 -51.238 8.686 1.00 0.00 C ATOM 1136 NE ARG A 73 4.700 -51.854 9.624 1.00 0.00 N ATOM 1137 CZ ARG A 73 6.020 -51.808 9.482 1.00 0.00 C ATOM 1138 NH1 ARG A 73 6.558 -51.179 8.447 1.00 0.00 N ATOM 1139 NH2 ARG A 73 6.805 -52.393 10.378 1.00 0.00 N ATOM 0 H ARG A 73 -0.004 -50.178 6.347 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.084 -52.107 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.756 -50.223 7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.347 -49.636 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.200 -51.542 10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.059 -52.542 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.974 -51.596 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.917 -50.159 8.679 1.00 0.00 H new ATOM 0 HE ARG A 73 4.319 -52.346 10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.958 -50.728 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.572 -51.146 8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.395 -52.878 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.818 -52.357 10.269 1.00 0.00 H new ATOM 1153 N THR A 74 -1.909 -49.518 8.595 1.00 0.00 N ATOM 1154 CA THR A 74 -2.870 -48.743 9.370 1.00 0.00 C ATOM 1155 C THR A 74 -3.539 -49.604 10.435 1.00 0.00 C ATOM 1156 O THR A 74 -3.536 -50.831 10.346 1.00 0.00 O ATOM 1157 CB THR A 74 -3.955 -48.128 8.467 1.00 0.00 C ATOM 1158 OG1 THR A 74 -4.751 -47.204 9.217 1.00 0.00 O ATOM 1159 CG2 THR A 74 -4.846 -49.211 7.877 1.00 0.00 C ATOM 0 H THR A 74 -1.997 -49.410 7.585 1.00 0.00 H new ATOM 0 HA THR A 74 -2.312 -47.940 9.853 1.00 0.00 H new ATOM 0 HB THR A 74 -3.461 -47.601 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.437 -46.816 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.605 -48.752 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.241 -49.896 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.331 -49.762 8.683 1.00 0.00 H new ATOM 1167 N GLN A 75 -4.113 -48.952 11.442 1.00 0.00 N ATOM 1168 CA GLN A 75 -4.787 -49.660 12.524 1.00 0.00 C ATOM 1169 C GLN A 75 -6.086 -50.293 12.035 1.00 0.00 C ATOM 1170 O GLN A 75 -6.886 -49.647 11.358 1.00 0.00 O ATOM 1171 CB GLN A 75 -5.076 -48.705 13.684 1.00 0.00 C ATOM 1172 CG GLN A 75 -3.824 -48.129 14.324 1.00 0.00 C ATOM 1173 CD GLN A 75 -2.727 -49.162 14.493 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -1.906 -49.329 13.463 1.00 0.00 O flip ATOM 1175 NE2 GLN A 75 -2.619 -49.804 15.539 1.00 0.00 N flip ATOM 0 H GLN A 75 -4.125 -47.936 11.531 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.126 -50.454 12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.699 -47.887 13.323 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.652 -49.233 14.444 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.453 -47.307 13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.078 -47.711 15.298 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.272 -49.643 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.876 -50.496 15.638 1.00 0.00 H new ATOM 1184 N ARG A 76 -6.288 -51.559 12.382 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.489 -52.280 11.977 1.00 0.00 C ATOM 1186 C ARG A 76 -8.744 -51.485 12.326 1.00 0.00 C ATOM 1187 O ARG A 76 -9.750 -51.551 11.619 1.00 0.00 O ATOM 1188 CB ARG A 76 -7.538 -53.653 12.650 1.00 0.00 C ATOM 1189 CG ARG A 76 -7.531 -54.813 11.669 1.00 0.00 C ATOM 1190 CD ARG A 76 -7.185 -56.124 12.358 1.00 0.00 C ATOM 1191 NE ARG A 76 -8.104 -57.197 11.986 1.00 0.00 N ATOM 1192 CZ ARG A 76 -8.147 -58.374 12.600 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -7.329 -58.627 13.612 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -9.011 -59.299 12.203 1.00 0.00 N ATOM 0 H ARG A 76 -5.636 -52.107 12.943 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.454 -52.415 10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.684 -53.750 13.320 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.435 -53.714 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.509 -54.897 11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.809 -54.616 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.167 -56.412 12.098 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.210 -55.983 13.439 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.748 -57.033 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.665 -57.917 13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.364 -59.532 14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.643 -59.107 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.043 -60.203 12.675 1.00 0.00 H new ATOM 1208 N ARG A 77 -8.678 -50.736 13.421 1.00 0.00 N ATOM 1209 CA ARG A 77 -9.809 -49.930 13.866 1.00 0.00 C ATOM 1210 C ARG A 77 -10.067 -48.776 12.901 1.00 0.00 C ATOM 1211 O ARG A 77 -11.214 -48.410 12.649 1.00 0.00 O ATOM 1212 CB ARG A 77 -9.553 -49.385 15.272 1.00 0.00 C ATOM 1213 CG ARG A 77 -10.662 -49.706 16.260 1.00 0.00 C ATOM 1214 CD ARG A 77 -10.902 -48.552 17.222 1.00 0.00 C ATOM 1215 NE ARG A 77 -12.121 -47.816 16.901 1.00 0.00 N ATOM 1216 CZ ARG A 77 -12.750 -47.025 17.763 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -12.277 -46.868 18.991 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -13.855 -46.388 17.396 1.00 0.00 N ATOM 0 H ARG A 77 -7.853 -50.670 14.017 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.692 -50.569 13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.615 -49.795 15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.429 -48.303 15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.581 -49.926 15.718 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.401 -50.602 16.823 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.968 -48.936 18.240 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.050 -47.873 17.193 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.511 -47.914 15.964 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.428 -47.355 19.277 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.762 -46.260 19.651 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.222 -46.506 16.452 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.338 -45.781 18.058 1.00 0.00 H new ATOM 1232 N ALA A 78 -8.991 -48.208 12.366 1.00 0.00 N ATOM 1233 CA ALA A 78 -9.101 -47.097 11.428 1.00 0.00 C ATOM 1234 C ALA A 78 -9.701 -47.554 10.103 1.00 0.00 C ATOM 1235 O ALA A 78 -10.699 -47.003 9.640 1.00 0.00 O ATOM 1236 CB ALA A 78 -7.738 -46.461 11.201 1.00 0.00 C ATOM 0 H ALA A 78 -8.034 -48.499 12.566 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.769 -46.353 11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.835 -45.633 10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.348 -46.089 12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.053 -47.204 10.793 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.086 -48.565 9.498 1.00 0.00 N ATOM 1243 CA ALA A 79 -9.561 -49.097 8.226 1.00 0.00 C ATOM 1244 C ALA A 79 -10.977 -49.647 8.356 1.00 0.00 C ATOM 1245 O ALA A 79 -11.806 -49.473 7.463 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.617 -50.178 7.721 1.00 0.00 C ATOM 0 H ALA A 79 -8.258 -49.032 9.868 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.581 -48.281 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.984 -50.566 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.622 -49.756 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.568 -50.988 8.449 1.00 0.00 H new ATOM 1252 N ALA A 80 -11.248 -50.313 9.474 1.00 0.00 N ATOM 1253 CA ALA A 80 -12.565 -50.888 9.721 1.00 0.00 C ATOM 1254 C ALA A 80 -13.609 -49.797 9.934 1.00 0.00 C ATOM 1255 O ALA A 80 -14.656 -49.794 9.287 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.517 -51.818 10.925 1.00 0.00 C ATOM 0 H ALA A 80 -10.573 -50.468 10.223 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.854 -51.464 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.507 -52.240 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.807 -52.623 10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.203 -51.257 11.805 1.00 0.00 H new ATOM 1262 N GLN A 81 -13.316 -48.874 10.844 1.00 0.00 N ATOM 1263 CA GLN A 81 -14.232 -47.779 11.143 1.00 0.00 C ATOM 1264 C GLN A 81 -14.607 -47.022 9.873 1.00 0.00 C ATOM 1265 O GLN A 81 -15.770 -46.675 9.666 1.00 0.00 O ATOM 1266 CB GLN A 81 -13.602 -46.821 12.154 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.706 -47.300 13.593 1.00 0.00 C ATOM 1268 CD GLN A 81 -14.098 -48.761 13.695 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -15.390 -49.018 13.862 1.00 0.00 O flip ATOM 1270 NE2 GLN A 81 -13.248 -49.649 13.624 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.452 -48.862 11.387 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.139 -48.204 11.573 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.551 -46.680 11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.084 -45.847 12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.749 -47.149 14.092 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.441 -46.693 14.122 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.266 -49.406 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.526 -50.628 13.694 1.00 0.00 H new ATOM 1279 N ILE A 82 -13.615 -46.769 9.026 1.00 0.00 N ATOM 1280 CA ILE A 82 -13.841 -46.053 7.776 1.00 0.00 C ATOM 1281 C ILE A 82 -14.684 -46.883 6.813 1.00 0.00 C ATOM 1282 O ILE A 82 -15.635 -46.381 6.215 1.00 0.00 O ATOM 1283 CB ILE A 82 -12.513 -45.683 7.091 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -11.797 -44.584 7.878 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -12.763 -45.239 5.657 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -12.443 -43.223 7.739 1.00 0.00 C ATOM 0 H ILE A 82 -12.647 -47.049 9.182 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.377 -45.138 8.028 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.873 -46.565 7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.773 -44.860 8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.762 -44.522 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.815 -44.981 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.235 -46.050 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.418 -44.368 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -11.883 -42.493 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.443 -42.926 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.469 -43.269 8.103 1.00 0.00 H new ATOM 1298 N ALA A 83 -14.328 -48.155 6.670 1.00 0.00 N ATOM 1299 CA ALA A 83 -15.054 -49.056 5.782 1.00 0.00 C ATOM 1300 C ALA A 83 -16.508 -49.202 6.217 1.00 0.00 C ATOM 1301 O ALA A 83 -17.426 -48.986 5.426 1.00 0.00 O ATOM 1302 CB ALA A 83 -14.374 -50.416 5.741 1.00 0.00 C ATOM 0 H ALA A 83 -13.542 -48.585 7.157 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.044 -48.626 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.926 -51.079 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.353 -50.302 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.355 -50.843 6.744 1.00 0.00 H new ATOM 1308 N GLN A 84 -16.709 -49.569 7.479 1.00 0.00 N ATOM 1309 CA GLN A 84 -18.053 -49.745 8.017 1.00 0.00 C ATOM 1310 C GLN A 84 -18.836 -48.437 7.965 1.00 0.00 C ATOM 1311 O GLN A 84 -20.044 -48.434 7.731 1.00 0.00 O ATOM 1312 CB GLN A 84 -17.985 -50.256 9.458 1.00 0.00 C ATOM 1313 CG GLN A 84 -19.330 -50.259 10.166 1.00 0.00 C ATOM 1314 CD GLN A 84 -20.292 -51.277 9.585 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -20.847 -50.970 8.419 1.00 0.00 O flip ATOM 1316 NE2 GLN A 84 -20.535 -52.328 10.179 1.00 0.00 N flip ATOM 0 H GLN A 84 -15.960 -49.750 8.147 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.570 -50.481 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.582 -51.269 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.288 -49.636 10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.179 -50.470 11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.774 -49.266 10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -20.086 -52.524 11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.185 -53.003 9.776 1.00 0.00 H new ATOM 1325 N ALA A 85 -18.139 -47.327 8.186 1.00 0.00 N ATOM 1326 CA ALA A 85 -18.768 -46.013 8.163 1.00 0.00 C ATOM 1327 C ALA A 85 -19.354 -45.709 6.788 1.00 0.00 C ATOM 1328 O ALA A 85 -20.469 -45.198 6.676 1.00 0.00 O ATOM 1329 CB ALA A 85 -17.765 -44.940 8.560 1.00 0.00 C ATOM 0 H ALA A 85 -17.138 -47.312 8.383 1.00 0.00 H new ATOM 0 HA ALA A 85 -19.585 -46.016 8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.249 -43.964 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -17.397 -45.140 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -16.929 -44.946 7.860 1.00 0.00 H new ATOM 1335 N LEU A 86 -18.595 -46.024 5.744 1.00 0.00 N ATOM 1336 CA LEU A 86 -19.038 -45.784 4.375 1.00 0.00 C ATOM 1337 C LEU A 86 -20.149 -46.754 3.985 1.00 0.00 C ATOM 1338 O LEU A 86 -21.094 -46.385 3.286 1.00 0.00 O ATOM 1339 CB LEU A 86 -17.863 -45.920 3.406 1.00 0.00 C ATOM 1340 CG LEU A 86 -18.094 -45.386 1.992 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -17.125 -44.256 1.683 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -17.953 -46.506 0.970 1.00 0.00 C ATOM 0 H LEU A 86 -17.670 -46.446 5.820 1.00 0.00 H new ATOM 0 HA LEU A 86 -19.431 -44.769 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -17.004 -45.402 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.596 -46.975 3.336 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.109 -44.993 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -17.305 -43.889 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -17.273 -43.445 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.102 -44.623 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -18.121 -46.108 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -16.950 -46.929 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.687 -47.284 1.179 1.00 0.00 H new ATOM 1354 N LEU A 87 -20.030 -47.996 4.441 1.00 0.00 N ATOM 1355 CA LEU A 87 -21.025 -49.020 4.142 1.00 0.00 C ATOM 1356 C LEU A 87 -22.408 -48.592 4.622 1.00 0.00 C ATOM 1357 O LEU A 87 -23.423 -48.968 4.038 1.00 0.00 O ATOM 1358 CB LEU A 87 -20.633 -50.346 4.795 1.00 0.00 C ATOM 1359 CG LEU A 87 -21.557 -51.532 4.514 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -20.759 -52.824 4.434 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -22.635 -51.634 5.583 1.00 0.00 C ATOM 0 H LEU A 87 -19.254 -48.318 5.019 1.00 0.00 H new ATOM 0 HA LEU A 87 -21.061 -49.152 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -19.628 -50.608 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -20.585 -50.196 5.874 1.00 0.00 H new ATOM 0 HG LEU A 87 -22.042 -51.369 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.434 -53.656 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -20.026 -52.750 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -20.245 -52.993 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -23.283 -52.483 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -22.168 -51.773 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -23.227 -50.719 5.591 1.00 0.00 H new ATOM 1373 N GLY A 88 -22.440 -47.801 5.690 1.00 0.00 N ATOM 1374 CA GLY A 88 -23.703 -47.333 6.230 1.00 0.00 C ATOM 1375 C GLY A 88 -23.965 -45.874 5.912 1.00 0.00 C ATOM 1376 O GLY A 88 -25.086 -45.391 6.063 1.00 0.00 O ATOM 0 H GLY A 88 -21.613 -47.476 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -24.514 -47.940 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.706 -47.472 7.311 1.00 0.00 H new ATOM 1380 N ALA A 89 -22.926 -45.171 5.473 1.00 0.00 N ATOM 1381 CA ALA A 89 -23.050 -43.759 5.133 1.00 0.00 C ATOM 1382 C ALA A 89 -23.611 -42.959 6.304 1.00 0.00 C ATOM 1383 O ALA A 89 -24.455 -42.083 6.121 1.00 0.00 O ATOM 1384 CB ALA A 89 -23.930 -43.587 3.904 1.00 0.00 C ATOM 0 H ALA A 89 -21.990 -45.556 5.345 1.00 0.00 H new ATOM 0 HA ALA A 89 -22.054 -43.376 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -24.014 -42.528 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -23.486 -44.118 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -24.921 -43.992 4.107 1.00 0.00 H new ATOM 1390 N GLU A 90 -23.135 -43.267 7.507 1.00 0.00 N ATOM 1391 CA GLU A 90 -23.592 -42.577 8.707 1.00 0.00 C ATOM 1392 C GLU A 90 -22.453 -41.788 9.348 1.00 0.00 C ATOM 1393 O GLU A 90 -21.280 -42.106 9.155 1.00 0.00 O ATOM 1394 CB GLU A 90 -24.162 -43.579 9.713 1.00 0.00 C ATOM 1395 CG GLU A 90 -24.664 -42.936 10.995 1.00 0.00 C ATOM 1396 CD GLU A 90 -25.257 -43.944 11.960 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -24.477 -44.648 12.635 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -26.500 -44.030 12.040 1.00 0.00 O ATOM 0 H GLU A 90 -22.434 -43.989 7.676 1.00 0.00 H new ATOM 0 HA GLU A 90 -24.377 -41.879 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -24.981 -44.125 9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.393 -44.310 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -23.840 -42.414 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -25.417 -42.186 10.751 1.00 0.00 H new ATOM 1405 N GLU A 91 -22.809 -40.758 10.109 1.00 0.00 N ATOM 1406 CA GLU A 91 -21.817 -39.924 10.777 1.00 0.00 C ATOM 1407 C GLU A 91 -20.927 -40.762 11.691 1.00 0.00 C ATOM 1408 O GLU A 91 -21.314 -41.101 12.810 1.00 0.00 O ATOM 1409 CB GLU A 91 -22.505 -38.823 11.586 1.00 0.00 C ATOM 1410 CG GLU A 91 -21.546 -37.989 12.419 1.00 0.00 C ATOM 1411 CD GLU A 91 -22.169 -36.696 12.908 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -23.165 -36.764 13.659 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -21.662 -35.617 12.539 1.00 0.00 O ATOM 0 H GLU A 91 -23.776 -40.481 10.278 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.191 -39.465 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -23.045 -38.167 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -23.245 -39.277 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.212 -38.574 13.276 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.661 -37.760 11.826 1.00 0.00 H new ATOM 1420 N ARG A 92 -19.735 -41.092 11.207 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.791 -41.891 11.979 1.00 0.00 C ATOM 1422 C ARG A 92 -17.408 -41.246 11.984 1.00 0.00 C ATOM 1423 O ARG A 92 -16.921 -40.789 10.949 1.00 0.00 O ATOM 1424 CB ARG A 92 -18.703 -43.308 11.408 1.00 0.00 C ATOM 1425 CG ARG A 92 -19.529 -44.327 12.175 1.00 0.00 C ATOM 1426 CD ARG A 92 -18.676 -45.100 13.169 1.00 0.00 C ATOM 1427 NE ARG A 92 -18.634 -46.527 12.861 1.00 0.00 N ATOM 1428 CZ ARG A 92 -19.592 -47.381 13.200 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -20.663 -46.955 13.856 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -19.481 -48.665 12.883 1.00 0.00 N ATOM 0 H ARG A 92 -19.399 -40.818 10.283 1.00 0.00 H new ATOM 0 HA ARG A 92 -19.152 -41.942 13.006 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.033 -43.293 10.369 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -17.660 -43.626 11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.336 -43.819 12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -19.994 -45.021 11.475 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.663 -44.699 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.072 -44.958 14.174 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.824 -46.887 12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -20.752 -45.969 14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.398 -47.613 14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.659 -48.996 12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.218 -49.320 13.144 1.00 0.00 H new ATOM 1444 N LYS A 93 -16.781 -41.212 13.154 1.00 0.00 N ATOM 1445 CA LYS A 93 -15.455 -40.624 13.295 1.00 0.00 C ATOM 1446 C LYS A 93 -14.467 -41.639 13.861 1.00 0.00 C ATOM 1447 O LYS A 93 -14.794 -42.397 14.774 1.00 0.00 O ATOM 1448 CB LYS A 93 -15.513 -39.393 14.203 1.00 0.00 C ATOM 1449 CG LYS A 93 -15.484 -39.728 15.684 1.00 0.00 C ATOM 1450 CD LYS A 93 -15.716 -38.494 16.540 1.00 0.00 C ATOM 1451 CE LYS A 93 -17.023 -38.588 17.311 1.00 0.00 C ATOM 1452 NZ LYS A 93 -17.086 -37.596 18.420 1.00 0.00 N ATOM 0 H LYS A 93 -17.170 -41.585 14.020 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.113 -40.322 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.672 -38.740 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.422 -38.832 13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.248 -40.473 15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.522 -40.173 15.939 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.888 -38.374 17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.729 -37.607 15.906 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.859 -38.425 16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.134 -39.594 17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.992 -37.692 18.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.304 -37.767 19.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.006 -36.635 18.031 1.00 0.00 H new ATOM 1466 N VAL A 94 -13.255 -41.648 13.313 1.00 0.00 N ATOM 1467 CA VAL A 94 -12.219 -42.569 13.765 1.00 0.00 C ATOM 1468 C VAL A 94 -10.839 -41.927 13.681 1.00 0.00 C ATOM 1469 O VAL A 94 -10.566 -41.137 12.778 1.00 0.00 O ATOM 1470 CB VAL A 94 -12.221 -43.867 12.936 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -12.050 -43.555 11.457 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -11.129 -44.809 13.420 1.00 0.00 C ATOM 0 H VAL A 94 -12.967 -41.028 12.556 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.442 -42.811 14.804 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.183 -44.363 13.070 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.054 -44.484 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.870 -42.920 11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.103 -43.037 11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.145 -45.721 12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.158 -44.324 13.317 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.301 -45.058 14.467 1.00 0.00 H new ATOM 1482 N GLU A 95 -9.973 -42.272 14.628 1.00 0.00 N ATOM 1483 CA GLU A 95 -8.620 -41.728 14.661 1.00 0.00 C ATOM 1484 C GLU A 95 -7.650 -42.638 13.913 1.00 0.00 C ATOM 1485 O GLU A 95 -7.564 -43.835 14.193 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.154 -41.546 16.107 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.298 -42.799 16.955 1.00 0.00 C ATOM 1488 CD GLU A 95 -7.724 -42.629 18.348 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -7.706 -41.485 18.848 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -7.293 -43.641 18.939 1.00 0.00 O ATOM 0 H GLU A 95 -10.184 -42.925 15.382 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.634 -40.756 14.167 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.109 -41.236 16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.726 -40.739 16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.353 -43.063 17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.796 -43.629 16.458 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.922 -42.063 12.962 1.00 0.00 N ATOM 1498 CA ILE A 96 -5.957 -42.821 12.175 1.00 0.00 C ATOM 1499 C ILE A 96 -4.602 -42.124 12.146 1.00 0.00 C ATOM 1500 O ILE A 96 -4.502 -40.927 12.414 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.447 -43.026 10.730 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -7.950 -43.316 10.713 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.677 -44.157 10.064 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -8.794 -42.110 10.366 1.00 0.00 C ATOM 0 H ILE A 96 -6.982 -41.075 12.718 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.852 -43.793 12.656 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.266 -42.109 10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.151 -44.109 9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.251 -43.690 11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.035 -44.289 9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.615 -43.913 10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.829 -45.080 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.848 -42.389 10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.623 -41.323 11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.521 -41.748 9.375 1.00 0.00 H new ATOM 1516 N ALA A 97 -3.560 -42.881 11.818 1.00 0.00 N ATOM 1517 CA ALA A 97 -2.210 -42.335 11.751 1.00 0.00 C ATOM 1518 C ALA A 97 -1.820 -42.013 10.312 1.00 0.00 C ATOM 1519 O ALA A 97 -1.766 -42.900 9.459 1.00 0.00 O ATOM 1520 CB ALA A 97 -1.215 -43.310 12.364 1.00 0.00 C ATOM 0 H ALA A 97 -3.625 -43.874 11.595 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.191 -41.407 12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.211 -42.889 12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.475 -43.488 13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.245 -44.252 11.817 1.00 0.00 H new ATOM 1526 N PHE A 98 -1.549 -40.739 10.048 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.165 -40.300 8.712 1.00 0.00 C ATOM 1528 C PHE A 98 0.120 -39.478 8.757 1.00 0.00 C ATOM 1529 O PHE A 98 0.560 -39.053 9.826 1.00 0.00 O ATOM 1530 CB PHE A 98 -2.289 -39.477 8.080 1.00 0.00 C ATOM 1531 CG PHE A 98 -3.571 -40.241 7.914 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -3.553 -41.590 7.597 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -4.795 -39.611 8.075 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -4.732 -42.295 7.443 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -5.977 -40.311 7.922 1.00 0.00 C ATOM 1536 CZ PHE A 98 -5.945 -41.655 7.607 1.00 0.00 C ATOM 0 H PHE A 98 -1.588 -39.993 10.742 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.987 -41.186 8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.476 -38.598 8.697 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.961 -39.117 7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.607 -42.096 7.469 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.826 -38.560 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.705 -43.346 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.924 -39.808 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.867 -42.205 7.489 1.00 0.00 H new ATOM 1546 N TYR A 99 0.716 -39.258 7.591 1.00 0.00 N ATOM 1547 CA TYR A 99 1.951 -38.489 7.497 1.00 0.00 C ATOM 1548 C TYR A 99 1.656 -37.006 7.298 1.00 0.00 C ATOM 1549 O TYR A 99 0.501 -36.605 7.155 1.00 0.00 O ATOM 1550 CB TYR A 99 2.813 -39.008 6.345 1.00 0.00 C ATOM 1551 CG TYR A 99 2.608 -38.257 5.049 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.364 -38.227 4.430 1.00 0.00 C ATOM 1553 CD2 TYR A 99 3.657 -37.578 4.442 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.172 -37.543 3.246 1.00 0.00 C ATOM 1555 CE2 TYR A 99 3.474 -36.890 3.259 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.229 -36.875 2.664 1.00 0.00 C ATOM 1557 OH TYR A 99 2.043 -36.192 1.484 1.00 0.00 O ATOM 0 H TYR A 99 0.364 -39.601 6.697 1.00 0.00 H new ATOM 0 HA TYR A 99 2.496 -38.610 8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.863 -38.943 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.591 -40.063 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.533 -38.748 4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.633 -37.588 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.199 -37.531 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.301 -36.366 2.802 1.00 0.00 H new ATOM 0 HH TYR A 99 1.084 -36.060 1.330 1.00 0.00 H new ATOM 1567 N ARG A 100 2.710 -36.196 7.289 1.00 0.00 N ATOM 1568 CA ARG A 100 2.565 -34.756 7.108 1.00 0.00 C ATOM 1569 C ARG A 100 3.681 -34.204 6.226 1.00 0.00 C ATOM 1570 O ARG A 100 4.534 -34.951 5.744 1.00 0.00 O ATOM 1571 CB ARG A 100 2.574 -34.047 8.463 1.00 0.00 C ATOM 1572 CG ARG A 100 1.251 -34.136 9.206 1.00 0.00 C ATOM 1573 CD ARG A 100 0.879 -32.806 9.842 1.00 0.00 C ATOM 1574 NE ARG A 100 0.790 -31.734 8.855 1.00 0.00 N ATOM 1575 CZ ARG A 100 0.851 -30.443 9.164 1.00 0.00 C ATOM 1576 NH1 ARG A 100 1.002 -30.067 10.427 1.00 0.00 N ATOM 1577 NH2 ARG A 100 0.763 -29.526 8.210 1.00 0.00 N ATOM 0 H ARG A 100 3.673 -36.512 7.405 1.00 0.00 H new ATOM 0 HA ARG A 100 1.611 -34.571 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.359 -34.478 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.827 -32.997 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.465 -34.443 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.316 -34.904 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.077 -32.905 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.622 -32.544 10.596 1.00 0.00 H new ATOM 0 HE ARG A 100 0.675 -31.990 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.072 -30.769 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.049 -29.075 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.648 -29.811 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.810 -28.535 8.449 1.00 0.00 H new ATOM 1591 N LYS A 101 3.669 -32.892 6.017 1.00 0.00 N ATOM 1592 CA LYS A 101 4.680 -32.239 5.194 1.00 0.00 C ATOM 1593 C LYS A 101 6.081 -32.517 5.728 1.00 0.00 C ATOM 1594 O LYS A 101 7.040 -32.615 4.962 1.00 0.00 O ATOM 1595 CB LYS A 101 4.431 -30.729 5.147 1.00 0.00 C ATOM 1596 CG LYS A 101 2.974 -30.360 4.931 1.00 0.00 C ATOM 1597 CD LYS A 101 2.834 -29.160 4.008 1.00 0.00 C ATOM 1598 CE LYS A 101 3.142 -27.860 4.735 1.00 0.00 C ATOM 1599 NZ LYS A 101 3.949 -26.933 3.894 1.00 0.00 N ATOM 0 H LYS A 101 2.970 -32.260 6.406 1.00 0.00 H new ATOM 0 HA LYS A 101 4.608 -32.645 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.776 -30.283 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.030 -30.295 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.441 -31.211 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.508 -30.138 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.508 -29.272 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.821 -29.123 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.209 -27.373 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.682 -28.078 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.138 -26.059 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.850 -27.388 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.423 -26.705 3.026 1.00 0.00 H new ATOM 1613 N ASP A 102 6.192 -32.645 7.046 1.00 0.00 N ATOM 1614 CA ASP A 102 7.475 -32.915 7.683 1.00 0.00 C ATOM 1615 C ASP A 102 7.921 -34.350 7.420 1.00 0.00 C ATOM 1616 O ASP A 102 9.066 -34.714 7.685 1.00 0.00 O ATOM 1617 CB ASP A 102 7.385 -32.663 9.189 1.00 0.00 C ATOM 1618 CG ASP A 102 8.603 -31.941 9.729 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.037 -30.955 9.098 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.124 -32.363 10.783 1.00 0.00 O ATOM 0 H ASP A 102 5.408 -32.566 7.694 1.00 0.00 H new ATOM 0 HA ASP A 102 8.215 -32.239 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.493 -32.075 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.271 -33.615 9.708 1.00 0.00 H new ATOM 1625 N GLY A 103 7.007 -35.162 6.898 1.00 0.00 N ATOM 1626 CA GLY A 103 7.324 -36.549 6.610 1.00 0.00 C ATOM 1627 C GLY A 103 6.994 -37.472 7.766 1.00 0.00 C ATOM 1628 O GLY A 103 6.821 -38.676 7.578 1.00 0.00 O ATOM 0 H GLY A 103 6.053 -34.884 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.773 -36.868 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.384 -36.634 6.373 1.00 0.00 H new ATOM 1632 N SER A 104 6.908 -36.907 8.966 1.00 0.00 N ATOM 1633 CA SER A 104 6.602 -37.689 10.158 1.00 0.00 C ATOM 1634 C SER A 104 5.146 -38.144 10.151 1.00 0.00 C ATOM 1635 O SER A 104 4.329 -37.634 9.384 1.00 0.00 O ATOM 1636 CB SER A 104 6.886 -36.869 11.418 1.00 0.00 C ATOM 1637 OG SER A 104 7.179 -35.521 11.094 1.00 0.00 O ATOM 0 H SER A 104 7.046 -35.911 9.138 1.00 0.00 H new ATOM 0 HA SER A 104 7.240 -38.573 10.156 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.023 -36.907 12.083 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.725 -37.307 11.959 1.00 0.00 H new ATOM 0 HG SER A 104 6.537 -34.930 11.541 1.00 0.00 H new ATOM 1643 N CYS A 105 4.830 -39.107 11.010 1.00 0.00 N ATOM 1644 CA CYS A 105 3.472 -39.633 11.102 1.00 0.00 C ATOM 1645 C CYS A 105 2.794 -39.163 12.385 1.00 0.00 C ATOM 1646 O CYS A 105 3.300 -39.385 13.485 1.00 0.00 O ATOM 1647 CB CYS A 105 3.490 -41.161 11.051 1.00 0.00 C ATOM 1648 SG CYS A 105 2.039 -41.891 10.257 1.00 0.00 S ATOM 0 H CYS A 105 5.494 -39.539 11.652 1.00 0.00 H new ATOM 0 HA CYS A 105 2.904 -39.255 10.252 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.384 -41.485 10.518 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.567 -41.547 12.068 1.00 0.00 H new ATOM 0 HG CYS A 105 2.148 -43.186 10.261 1.00 0.00 H new ATOM 1654 N PHE A 106 1.646 -38.510 12.236 1.00 0.00 N ATOM 1655 CA PHE A 106 0.898 -38.006 13.382 1.00 0.00 C ATOM 1656 C PHE A 106 -0.505 -38.603 13.422 1.00 0.00 C ATOM 1657 O PHE A 106 -0.994 -39.136 12.425 1.00 0.00 O ATOM 1658 CB PHE A 106 0.814 -36.479 13.331 1.00 0.00 C ATOM 1659 CG PHE A 106 2.154 -35.808 13.233 1.00 0.00 C ATOM 1660 CD1 PHE A 106 3.242 -36.297 13.938 1.00 0.00 C ATOM 1661 CD2 PHE A 106 2.326 -34.687 12.436 1.00 0.00 C ATOM 1662 CE1 PHE A 106 4.477 -35.682 13.849 1.00 0.00 C ATOM 1663 CE2 PHE A 106 3.558 -34.068 12.344 1.00 0.00 C ATOM 1664 CZ PHE A 106 4.634 -34.565 13.052 1.00 0.00 C ATOM 0 H PHE A 106 1.213 -38.317 11.333 1.00 0.00 H new ATOM 0 HA PHE A 106 1.426 -38.304 14.288 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.206 -36.185 12.476 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.302 -36.121 14.224 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.124 -37.169 14.564 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.488 -34.293 11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.318 -36.074 14.402 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.679 -33.196 11.719 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.597 -34.081 12.983 1.00 0.00 H new ATOM 1674 N LEU A 107 -1.148 -38.510 14.581 1.00 0.00 N ATOM 1675 CA LEU A 107 -2.496 -39.041 14.752 1.00 0.00 C ATOM 1676 C LEU A 107 -3.540 -37.943 14.581 1.00 0.00 C ATOM 1677 O LEU A 107 -3.436 -36.873 15.183 1.00 0.00 O ATOM 1678 CB LEU A 107 -2.640 -39.686 16.132 1.00 0.00 C ATOM 1679 CG LEU A 107 -2.688 -41.214 16.157 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -3.977 -41.718 15.528 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -1.479 -41.798 15.440 1.00 0.00 C ATOM 0 H LEU A 107 -0.758 -38.072 15.416 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.662 -39.797 13.985 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.806 -39.358 16.753 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.551 -39.306 16.595 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.662 -41.542 17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.993 -42.808 15.555 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.830 -41.329 16.084 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.034 -41.380 14.493 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.530 -42.886 15.468 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.473 -41.461 14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.567 -41.465 15.935 1.00 0.00 H new ATOM 1693 N CYS A 108 -4.547 -38.214 13.758 1.00 0.00 N ATOM 1694 CA CYS A 108 -5.612 -37.249 13.508 1.00 0.00 C ATOM 1695 C CYS A 108 -6.958 -37.950 13.363 1.00 0.00 C ATOM 1696 O CYS A 108 -7.036 -39.070 12.855 1.00 0.00 O ATOM 1697 CB CYS A 108 -5.308 -36.437 12.248 1.00 0.00 C ATOM 1698 SG CYS A 108 -5.548 -37.350 10.706 1.00 0.00 S ATOM 0 H CYS A 108 -4.648 -39.094 13.252 1.00 0.00 H new ATOM 0 HA CYS A 108 -5.664 -36.574 14.362 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -5.944 -35.552 12.237 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -4.277 -36.087 12.294 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.191 -38.453 10.950 1.00 0.00 H new ATOM 1704 N LEU A 109 -8.017 -37.287 13.815 1.00 0.00 N ATOM 1705 CA LEU A 109 -9.362 -37.847 13.737 1.00 0.00 C ATOM 1706 C LEU A 109 -9.961 -37.634 12.351 1.00 0.00 C ATOM 1707 O LEU A 109 -9.664 -36.646 11.680 1.00 0.00 O ATOM 1708 CB LEU A 109 -10.262 -37.211 14.798 1.00 0.00 C ATOM 1709 CG LEU A 109 -10.988 -38.180 15.731 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -11.404 -37.476 17.013 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -12.200 -38.784 15.035 1.00 0.00 C ATOM 0 H LEU A 109 -7.970 -36.361 14.239 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.294 -38.919 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.655 -36.539 15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.008 -36.597 14.293 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.303 -38.987 15.990 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.919 -38.182 17.665 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.519 -37.092 17.521 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.072 -36.649 16.773 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.705 -39.471 15.714 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.888 -37.989 14.746 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.877 -39.325 14.146 1.00 0.00 H new ATOM 1723 N VAL A 110 -10.807 -38.568 11.928 1.00 0.00 N ATOM 1724 CA VAL A 110 -11.451 -38.482 10.623 1.00 0.00 C ATOM 1725 C VAL A 110 -12.946 -38.766 10.728 1.00 0.00 C ATOM 1726 O VAL A 110 -13.357 -39.898 10.981 1.00 0.00 O ATOM 1727 CB VAL A 110 -10.822 -39.467 9.620 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -11.573 -39.437 8.298 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -9.349 -39.148 9.414 1.00 0.00 C ATOM 0 H VAL A 110 -11.062 -39.393 12.471 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.302 -37.464 10.263 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.899 -40.474 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.114 -40.139 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.613 -39.718 8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.531 -38.432 7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.920 -39.854 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.247 -38.134 9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.823 -39.227 10.365 1.00 0.00 H new ATOM 1739 N ASP A 111 -13.754 -37.730 10.531 1.00 0.00 N ATOM 1740 CA ASP A 111 -15.204 -37.867 10.602 1.00 0.00 C ATOM 1741 C ASP A 111 -15.820 -37.848 9.206 1.00 0.00 C ATOM 1742 O ASP A 111 -15.468 -37.014 8.372 1.00 0.00 O ATOM 1743 CB ASP A 111 -15.803 -36.747 11.453 1.00 0.00 C ATOM 1744 CG ASP A 111 -17.279 -36.956 11.730 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -17.784 -38.064 11.452 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -17.928 -36.012 12.227 1.00 0.00 O ATOM 0 H ASP A 111 -13.429 -36.786 10.321 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.431 -38.826 11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.264 -36.685 12.398 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.663 -35.793 10.944 1.00 0.00 H new ATOM 1751 N VAL A 112 -16.742 -38.773 8.959 1.00 0.00 N ATOM 1752 CA VAL A 112 -17.407 -38.863 7.665 1.00 0.00 C ATOM 1753 C VAL A 112 -18.922 -38.776 7.818 1.00 0.00 C ATOM 1754 O VAL A 112 -19.529 -39.561 8.547 1.00 0.00 O ATOM 1755 CB VAL A 112 -17.050 -40.174 6.940 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -17.463 -40.105 5.477 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -15.563 -40.465 7.069 1.00 0.00 C ATOM 0 H VAL A 112 -17.045 -39.471 9.638 1.00 0.00 H new ATOM 0 HA VAL A 112 -17.056 -38.020 7.070 1.00 0.00 H new ATOM 0 HB VAL A 112 -17.599 -40.990 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.203 -41.040 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -18.539 -39.946 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -16.943 -39.280 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.328 -41.395 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -14.993 -39.649 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -15.301 -40.560 8.123 1.00 0.00 H new ATOM 1767 N VAL A 113 -19.527 -37.816 7.127 1.00 0.00 N ATOM 1768 CA VAL A 113 -20.972 -37.627 7.185 1.00 0.00 C ATOM 1769 C VAL A 113 -21.518 -37.155 5.842 1.00 0.00 C ATOM 1770 O VAL A 113 -20.970 -36.258 5.201 1.00 0.00 O ATOM 1771 CB VAL A 113 -21.361 -36.608 8.272 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -22.804 -36.817 8.708 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -20.417 -36.709 9.460 1.00 0.00 C ATOM 0 H VAL A 113 -19.039 -37.157 6.520 1.00 0.00 H new ATOM 0 HA VAL A 113 -21.409 -38.595 7.432 1.00 0.00 H new ATOM 0 HB VAL A 113 -21.274 -35.606 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -23.061 -36.088 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -23.465 -36.689 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -22.921 -37.824 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -20.707 -35.982 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -20.469 -37.713 9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -19.397 -36.505 9.133 1.00 0.00 H new ATOM 1783 N PRO A 114 -22.626 -37.772 5.404 1.00 0.00 N ATOM 1784 CA PRO A 114 -23.273 -37.431 4.134 1.00 0.00 C ATOM 1785 C PRO A 114 -23.934 -36.057 4.170 1.00 0.00 C ATOM 1786 O PRO A 114 -24.235 -35.530 5.241 1.00 0.00 O ATOM 1787 CB PRO A 114 -24.327 -38.527 3.967 1.00 0.00 C ATOM 1788 CG PRO A 114 -24.622 -38.984 5.354 1.00 0.00 C ATOM 1789 CD PRO A 114 -23.333 -38.849 6.117 1.00 0.00 C ATOM 0 HA PRO A 114 -22.557 -37.380 3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.222 -38.144 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -23.953 -39.345 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -25.408 -38.379 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -24.972 -40.016 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -23.509 -38.591 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -22.763 -39.778 6.110 1.00 0.00 H new ATOM 1797 N VAL A 115 -24.157 -35.482 2.993 1.00 0.00 N ATOM 1798 CA VAL A 115 -24.784 -34.169 2.890 1.00 0.00 C ATOM 1799 C VAL A 115 -26.132 -34.258 2.183 1.00 0.00 C ATOM 1800 O VAL A 115 -26.198 -34.342 0.956 1.00 0.00 O ATOM 1801 CB VAL A 115 -23.884 -33.175 2.133 1.00 0.00 C ATOM 1802 CG1 VAL A 115 -24.431 -31.761 2.253 1.00 0.00 C ATOM 1803 CG2 VAL A 115 -22.456 -33.249 2.651 1.00 0.00 C ATOM 0 H VAL A 115 -23.913 -35.904 2.097 1.00 0.00 H new ATOM 0 HA VAL A 115 -24.934 -33.809 3.908 1.00 0.00 H new ATOM 0 HB VAL A 115 -23.878 -33.448 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -23.782 -31.073 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -25.435 -31.722 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -24.469 -31.474 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -21.834 -32.540 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -22.441 -33.003 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -22.069 -34.258 2.507 1.00 0.00 H new ATOM 1813 N LYS A 116 -27.206 -34.239 2.964 1.00 0.00 N ATOM 1814 CA LYS A 116 -28.554 -34.316 2.414 1.00 0.00 C ATOM 1815 C LYS A 116 -29.070 -32.929 2.043 1.00 0.00 C ATOM 1816 O LYS A 116 -28.484 -31.916 2.424 1.00 0.00 O ATOM 1817 CB LYS A 116 -29.502 -34.971 3.422 1.00 0.00 C ATOM 1818 CG LYS A 116 -29.100 -36.386 3.803 1.00 0.00 C ATOM 1819 CD LYS A 116 -29.947 -36.917 4.947 1.00 0.00 C ATOM 1820 CE LYS A 116 -29.675 -38.391 5.205 1.00 0.00 C ATOM 1821 NZ LYS A 116 -29.163 -38.628 6.583 1.00 0.00 N ATOM 0 H LYS A 116 -27.169 -34.171 3.981 1.00 0.00 H new ATOM 0 HA LYS A 116 -28.517 -34.925 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -29.541 -34.358 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -30.508 -34.988 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -29.204 -37.040 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -28.048 -36.402 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -29.740 -36.344 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -31.003 -36.776 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -30.592 -38.961 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -28.949 -38.759 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -28.990 -39.644 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -28.275 -38.105 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -29.866 -38.301 7.276 1.00 0.00 H new ATOM 1835 N ASN A 117 -30.171 -32.891 1.299 1.00 0.00 N ATOM 1836 CA ASN A 117 -30.766 -31.628 0.878 1.00 0.00 C ATOM 1837 C ASN A 117 -32.078 -31.374 1.613 1.00 0.00 C ATOM 1838 O ASN A 117 -32.424 -32.090 2.551 1.00 0.00 O ATOM 1839 CB ASN A 117 -31.007 -31.633 -0.633 1.00 0.00 C ATOM 1840 CG ASN A 117 -31.811 -32.836 -1.087 1.00 0.00 C ATOM 1841 OD1 ASN A 117 -32.668 -33.335 -0.357 1.00 0.00 O ATOM 1842 ND2 ASN A 117 -31.537 -33.308 -2.297 1.00 0.00 N ATOM 0 H ASN A 117 -30.669 -33.720 0.975 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.070 -30.826 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -31.531 -30.721 -0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -30.048 -31.624 -1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -32.045 -34.116 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -30.818 -32.863 -2.867 1.00 0.00 H new ATOM 1849 N GLU A 118 -32.805 -30.349 1.178 1.00 0.00 N ATOM 1850 CA GLU A 118 -34.079 -30.000 1.795 1.00 0.00 C ATOM 1851 C GLU A 118 -35.054 -31.173 1.730 1.00 0.00 C ATOM 1852 O GLU A 118 -36.009 -31.242 2.503 1.00 0.00 O ATOM 1853 CB GLU A 118 -34.688 -28.778 1.104 1.00 0.00 C ATOM 1854 CG GLU A 118 -35.110 -27.682 2.068 1.00 0.00 C ATOM 1855 CD GLU A 118 -33.968 -26.754 2.433 1.00 0.00 C ATOM 1856 OE1 GLU A 118 -33.084 -26.536 1.577 1.00 0.00 O ATOM 1857 OE2 GLU A 118 -33.956 -26.247 3.574 1.00 0.00 O ATOM 0 H GLU A 118 -32.533 -29.746 0.401 1.00 0.00 H new ATOM 0 HA GLU A 118 -33.893 -29.761 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -33.963 -28.371 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -35.555 -29.094 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -35.917 -27.101 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -35.509 -28.135 2.975 1.00 0.00 H new ATOM 1864 N ASP A 119 -34.805 -32.091 0.803 1.00 0.00 N ATOM 1865 CA ASP A 119 -35.659 -33.261 0.637 1.00 0.00 C ATOM 1866 C ASP A 119 -35.085 -34.462 1.381 1.00 0.00 C ATOM 1867 O ASP A 119 -35.728 -35.506 1.484 1.00 0.00 O ATOM 1868 CB ASP A 119 -35.820 -33.594 -0.847 1.00 0.00 C ATOM 1869 CG ASP A 119 -37.248 -33.423 -1.327 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -38.043 -34.374 -1.177 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -37.570 -32.337 -1.853 1.00 0.00 O ATOM 0 H ASP A 119 -34.019 -32.048 0.155 1.00 0.00 H new ATOM 0 HA ASP A 119 -36.637 -33.029 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -35.163 -32.952 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -35.501 -34.621 -1.023 1.00 0.00 H new ATOM 1876 N GLY A 120 -33.870 -34.307 1.899 1.00 0.00 N ATOM 1877 CA GLY A 120 -33.230 -35.387 2.626 1.00 0.00 C ATOM 1878 C GLY A 120 -32.500 -36.350 1.711 1.00 0.00 C ATOM 1879 O GLY A 120 -32.181 -37.471 2.106 1.00 0.00 O ATOM 0 H GLY A 120 -33.318 -33.452 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.525 -34.969 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -33.982 -35.932 3.197 1.00 0.00 H new ATOM 1883 N ALA A 121 -32.237 -35.913 0.484 1.00 0.00 N ATOM 1884 CA ALA A 121 -31.540 -36.744 -0.490 1.00 0.00 C ATOM 1885 C ALA A 121 -30.041 -36.461 -0.481 1.00 0.00 C ATOM 1886 O ALA A 121 -29.600 -35.388 -0.893 1.00 0.00 O ATOM 1887 CB ALA A 121 -32.113 -36.520 -1.881 1.00 0.00 C ATOM 0 H ALA A 121 -32.496 -34.988 0.141 1.00 0.00 H new ATOM 0 HA ALA A 121 -31.688 -37.788 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -31.583 -37.147 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -33.172 -36.780 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -31.996 -35.472 -2.159 1.00 0.00 H new ATOM 1893 N VAL A 122 -29.264 -37.429 -0.008 1.00 0.00 N ATOM 1894 CA VAL A 122 -27.814 -37.284 0.054 1.00 0.00 C ATOM 1895 C VAL A 122 -27.194 -37.361 -1.337 1.00 0.00 C ATOM 1896 O VAL A 122 -27.217 -38.410 -1.980 1.00 0.00 O ATOM 1897 CB VAL A 122 -27.179 -38.366 0.947 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -27.611 -39.753 0.495 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -25.663 -38.242 0.939 1.00 0.00 C ATOM 0 H VAL A 122 -29.614 -38.322 0.338 1.00 0.00 H new ATOM 0 HA VAL A 122 -27.612 -36.303 0.485 1.00 0.00 H new ATOM 0 HB VAL A 122 -27.527 -38.218 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -27.152 -40.504 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -28.696 -39.835 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -27.294 -39.915 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -25.231 -39.015 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -25.293 -38.362 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -25.376 -37.260 1.315 1.00 0.00 H new ATOM 1909 N ILE A 123 -26.640 -36.243 -1.794 1.00 0.00 N ATOM 1910 CA ILE A 123 -26.012 -36.184 -3.108 1.00 0.00 C ATOM 1911 C ILE A 123 -24.496 -36.296 -2.998 1.00 0.00 C ATOM 1912 O ILE A 123 -23.847 -36.921 -3.837 1.00 0.00 O ATOM 1913 CB ILE A 123 -26.367 -34.878 -3.844 1.00 0.00 C ATOM 1914 CG1 ILE A 123 -27.877 -34.635 -3.797 1.00 0.00 C ATOM 1915 CG2 ILE A 123 -25.879 -34.932 -5.284 1.00 0.00 C ATOM 1916 CD1 ILE A 123 -28.268 -33.421 -2.983 1.00 0.00 C ATOM 0 H ILE A 123 -26.613 -35.366 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 123 -26.396 -37.029 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 123 -25.868 -34.049 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -28.250 -34.516 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -28.366 -35.515 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -26.137 -34.002 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -24.797 -35.064 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -26.353 -35.769 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -29.352 -33.310 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -27.926 -33.546 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -27.808 -32.531 -3.413 1.00 0.00 H new ATOM 1928 N MET A 124 -23.937 -35.689 -1.957 1.00 0.00 N ATOM 1929 CA MET A 124 -22.496 -35.723 -1.735 1.00 0.00 C ATOM 1930 C MET A 124 -22.178 -36.006 -0.270 1.00 0.00 C ATOM 1931 O MET A 124 -23.065 -35.986 0.583 1.00 0.00 O ATOM 1932 CB MET A 124 -21.861 -34.398 -2.160 1.00 0.00 C ATOM 1933 CG MET A 124 -22.596 -33.176 -1.634 1.00 0.00 C ATOM 1934 SD MET A 124 -23.498 -32.299 -2.926 1.00 0.00 S ATOM 1935 CE MET A 124 -23.636 -30.669 -2.196 1.00 0.00 C ATOM 0 H MET A 124 -24.460 -35.167 -1.253 1.00 0.00 H new ATOM 0 HA MET A 124 -22.079 -36.528 -2.341 1.00 0.00 H new ATOM 0 HB2 MET A 124 -20.829 -34.370 -1.810 1.00 0.00 H new ATOM 0 HB3 MET A 124 -21.829 -34.352 -3.249 1.00 0.00 H new ATOM 0 HG2 MET A 124 -23.293 -33.484 -0.854 1.00 0.00 H new ATOM 0 HG3 MET A 124 -21.880 -32.497 -1.171 1.00 0.00 H new ATOM 0 HE1 MET A 124 -24.172 -30.009 -2.878 1.00 0.00 H new ATOM 0 HE2 MET A 124 -24.180 -30.737 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 124 -22.640 -30.268 -2.011 1.00 0.00 H new ATOM 1945 N PHE A 125 -20.907 -36.270 0.015 1.00 0.00 N ATOM 1946 CA PHE A 125 -20.473 -36.559 1.376 1.00 0.00 C ATOM 1947 C PHE A 125 -19.461 -35.522 1.856 1.00 0.00 C ATOM 1948 O PHE A 125 -18.708 -34.959 1.060 1.00 0.00 O ATOM 1949 CB PHE A 125 -19.860 -37.959 1.453 1.00 0.00 C ATOM 1950 CG PHE A 125 -20.660 -39.004 0.729 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -22.043 -38.929 0.684 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -20.029 -40.061 0.094 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -22.782 -39.889 0.019 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -20.763 -41.023 -0.574 1.00 0.00 C ATOM 1955 CZ PHE A 125 -22.141 -40.938 -0.610 1.00 0.00 C ATOM 0 H PHE A 125 -20.160 -36.290 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 125 -21.347 -36.517 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -18.853 -37.930 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -19.763 -38.247 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -22.549 -38.111 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -18.952 -40.134 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -23.859 -39.819 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -20.259 -41.841 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 125 -22.716 -41.690 -1.129 1.00 0.00 H new ATOM 1965 N ILE A 126 -19.450 -35.274 3.161 1.00 0.00 N ATOM 1966 CA ILE A 126 -18.532 -34.305 3.747 1.00 0.00 C ATOM 1967 C ILE A 126 -17.723 -34.930 4.878 1.00 0.00 C ATOM 1968 O ILE A 126 -18.266 -35.638 5.728 1.00 0.00 O ATOM 1969 CB ILE A 126 -19.282 -33.073 4.286 1.00 0.00 C ATOM 1970 CG1 ILE A 126 -18.288 -32.026 4.793 1.00 0.00 C ATOM 1971 CG2 ILE A 126 -20.241 -33.480 5.394 1.00 0.00 C ATOM 1972 CD1 ILE A 126 -17.567 -31.291 3.684 1.00 0.00 C ATOM 0 H ILE A 126 -20.067 -35.731 3.833 1.00 0.00 H new ATOM 0 HA ILE A 126 -17.857 -33.989 2.952 1.00 0.00 H new ATOM 0 HB ILE A 126 -19.861 -32.634 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -18.819 -31.303 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -17.553 -32.514 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -20.764 -32.598 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -20.966 -34.194 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -19.682 -33.940 6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -16.879 -30.565 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -17.008 -32.004 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -18.294 -30.774 3.058 1.00 0.00 H new ATOM 1984 N LEU A 127 -16.422 -34.662 4.886 1.00 0.00 N ATOM 1985 CA LEU A 127 -15.536 -35.196 5.915 1.00 0.00 C ATOM 1986 C LEU A 127 -14.690 -34.088 6.533 1.00 0.00 C ATOM 1987 O LEU A 127 -14.387 -33.089 5.883 1.00 0.00 O ATOM 1988 CB LEU A 127 -14.629 -36.277 5.324 1.00 0.00 C ATOM 1989 CG LEU A 127 -15.336 -37.494 4.726 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -15.850 -37.179 3.330 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -14.400 -38.693 4.694 1.00 0.00 C ATOM 0 H LEU A 127 -15.957 -34.078 4.191 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.153 -35.637 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.013 -35.822 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -13.953 -36.623 6.106 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.189 -37.742 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.350 -38.056 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -16.555 -36.350 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.013 -36.905 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -14.920 -39.549 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.527 -38.457 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -14.081 -38.933 5.708 1.00 0.00 H new ATOM 2003 N ASN A 128 -14.310 -34.275 7.793 1.00 0.00 N ATOM 2004 CA ASN A 128 -13.496 -33.292 8.500 1.00 0.00 C ATOM 2005 C ASN A 128 -12.468 -33.978 9.394 1.00 0.00 C ATOM 2006 O ASN A 128 -12.792 -34.914 10.125 1.00 0.00 O ATOM 2007 CB ASN A 128 -14.386 -32.371 9.338 1.00 0.00 C ATOM 2008 CG ASN A 128 -14.949 -31.218 8.531 1.00 0.00 C ATOM 2009 OD1 ASN A 128 -14.515 -30.075 8.673 1.00 0.00 O ATOM 2010 ND2 ASN A 128 -15.922 -31.514 7.676 1.00 0.00 N ATOM 0 H ASN A 128 -14.552 -35.098 8.345 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.964 -32.696 7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -15.207 -32.950 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -13.810 -31.977 10.175 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -16.340 -30.780 7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.251 -32.476 7.591 1.00 0.00 H new ATOM 2017 N PHE A 129 -11.228 -33.505 9.331 1.00 0.00 N ATOM 2018 CA PHE A 129 -10.152 -34.073 10.135 1.00 0.00 C ATOM 2019 C PHE A 129 -9.834 -33.177 11.328 1.00 0.00 C ATOM 2020 O PHE A 129 -10.106 -31.977 11.306 1.00 0.00 O ATOM 2021 CB PHE A 129 -8.897 -34.267 9.281 1.00 0.00 C ATOM 2022 CG PHE A 129 -9.155 -34.999 7.994 1.00 0.00 C ATOM 2023 CD1 PHE A 129 -10.122 -35.988 7.927 1.00 0.00 C ATOM 2024 CD2 PHE A 129 -8.430 -34.697 6.853 1.00 0.00 C ATOM 2025 CE1 PHE A 129 -10.363 -36.663 6.745 1.00 0.00 C ATOM 2026 CE2 PHE A 129 -8.666 -35.368 5.668 1.00 0.00 C ATOM 2027 CZ PHE A 129 -9.633 -36.353 5.614 1.00 0.00 C ATOM 0 H PHE A 129 -10.943 -32.730 8.732 1.00 0.00 H new ATOM 0 HA PHE A 129 -10.483 -35.042 10.508 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -8.467 -33.291 9.055 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -8.155 -34.817 9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -10.695 -36.235 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -7.672 -33.929 6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.121 -37.432 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -8.095 -35.122 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.818 -36.880 4.689 1.00 0.00 H new ATOM 2037 N GLU A 130 -9.257 -33.770 12.369 1.00 0.00 N ATOM 2038 CA GLU A 130 -8.904 -33.026 13.572 1.00 0.00 C ATOM 2039 C GLU A 130 -7.721 -33.675 14.285 1.00 0.00 C ATOM 2040 O GLU A 130 -7.841 -34.763 14.848 1.00 0.00 O ATOM 2041 CB GLU A 130 -10.103 -32.946 14.520 1.00 0.00 C ATOM 2042 CG GLU A 130 -9.821 -32.167 15.793 1.00 0.00 C ATOM 2043 CD GLU A 130 -10.206 -30.704 15.679 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -9.638 -30.008 14.812 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -11.075 -30.256 16.456 1.00 0.00 O ATOM 0 H GLU A 130 -9.024 -34.763 12.403 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.618 -32.017 13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -10.939 -32.481 13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.415 -33.957 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -10.368 -32.619 16.620 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.760 -32.242 16.033 1.00 0.00 H new ATOM 2052 N VAL A 131 -6.577 -32.998 14.256 1.00 0.00 N ATOM 2053 CA VAL A 131 -5.371 -33.507 14.899 1.00 0.00 C ATOM 2054 C VAL A 131 -5.621 -33.815 16.371 1.00 0.00 C ATOM 2055 O VAL A 131 -6.260 -33.036 17.079 1.00 0.00 O ATOM 2056 CB VAL A 131 -4.208 -32.503 14.786 1.00 0.00 C ATOM 2057 CG1 VAL A 131 -2.916 -33.124 15.294 1.00 0.00 C ATOM 2058 CG2 VAL A 131 -4.053 -32.028 13.349 1.00 0.00 C ATOM 0 H VAL A 131 -6.460 -32.096 13.794 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.099 -34.426 14.380 1.00 0.00 H new ATOM 0 HB VAL A 131 -4.435 -31.637 15.408 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -2.106 -32.400 15.207 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -3.036 -33.410 16.339 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.679 -34.007 14.701 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -3.227 -31.319 13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.848 -32.882 12.704 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -4.973 -31.542 13.025 1.00 0.00 H new ATOM 2068 N VAL A 132 -5.114 -34.956 16.826 1.00 0.00 N ATOM 2069 CA VAL A 132 -5.280 -35.367 18.215 1.00 0.00 C ATOM 2070 C VAL A 132 -3.933 -35.652 18.869 1.00 0.00 C ATOM 2071 O VAL A 132 -3.753 -35.429 20.066 1.00 0.00 O ATOM 2072 CB VAL A 132 -6.168 -36.620 18.327 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -6.312 -37.044 19.781 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -7.531 -36.364 17.701 1.00 0.00 C ATOM 0 H VAL A 132 -4.585 -35.613 16.253 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.764 -34.540 18.734 1.00 0.00 H new ATOM 0 HB VAL A 132 -5.689 -37.433 17.782 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -6.943 -37.931 19.841 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -5.329 -37.270 20.193 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -6.768 -36.235 20.352 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -8.146 -37.260 17.789 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.019 -35.537 18.217 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.406 -36.112 16.648 1.00 0.00 H new ATOM 2084 N MET A 133 -2.988 -36.145 18.075 1.00 0.00 N ATOM 2085 CA MET A 133 -1.656 -36.460 18.577 1.00 0.00 C ATOM 2086 C MET A 133 -0.586 -36.058 17.567 1.00 0.00 C ATOM 2087 O MET A 133 -0.050 -36.901 16.849 1.00 0.00 O ATOM 2088 CB MET A 133 -1.544 -37.953 18.889 1.00 0.00 C ATOM 2089 CG MET A 133 -1.598 -38.270 20.375 1.00 0.00 C ATOM 2090 SD MET A 133 -2.786 -39.569 20.766 1.00 0.00 S ATOM 2091 CE MET A 133 -1.796 -41.032 20.471 1.00 0.00 C ATOM 0 H MET A 133 -3.120 -36.335 17.082 1.00 0.00 H new ATOM 0 HA MET A 133 -1.497 -35.893 19.494 1.00 0.00 H new ATOM 0 HB2 MET A 133 -2.351 -38.483 18.383 1.00 0.00 H new ATOM 0 HB3 MET A 133 -0.608 -38.332 18.479 1.00 0.00 H new ATOM 0 HG2 MET A 133 -0.608 -38.575 20.714 1.00 0.00 H new ATOM 0 HG3 MET A 133 -1.859 -37.366 20.926 1.00 0.00 H new ATOM 0 HE1 MET A 133 -2.393 -41.922 20.670 1.00 0.00 H new ATOM 0 HE2 MET A 133 -1.464 -41.043 19.433 1.00 0.00 H new ATOM 0 HE3 MET A 133 -0.928 -41.023 21.130 1.00 0.00 H new ATOM 2101 N GLU A 134 -0.280 -34.765 17.518 1.00 0.00 N ATOM 2102 CA GLU A 134 0.726 -34.253 16.595 1.00 0.00 C ATOM 2103 C GLU A 134 2.131 -34.460 17.152 1.00 0.00 C ATOM 2104 O GLU A 134 2.682 -33.584 17.819 1.00 0.00 O ATOM 2105 CB GLU A 134 0.488 -32.766 16.320 1.00 0.00 C ATOM 2106 CG GLU A 134 1.010 -32.306 14.969 1.00 0.00 C ATOM 2107 CD GLU A 134 0.512 -30.925 14.591 1.00 0.00 C ATOM 2108 OE1 GLU A 134 -0.344 -30.383 15.322 1.00 0.00 O ATOM 2109 OE2 GLU A 134 0.977 -30.386 13.565 1.00 0.00 O ATOM 0 H GLU A 134 -0.714 -34.054 18.106 1.00 0.00 H new ATOM 0 HA GLU A 134 0.640 -34.807 15.660 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -0.581 -32.561 16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.966 -32.179 17.104 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.100 -32.303 14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.706 -33.020 14.204 1.00 0.00 H new ATOM 2116 N LYS A 135 2.706 -35.625 16.873 1.00 0.00 N ATOM 2117 CA LYS A 135 4.047 -35.949 17.344 1.00 0.00 C ATOM 2118 C LYS A 135 5.071 -34.959 16.796 1.00 0.00 C ATOM 2119 O LYS A 135 4.710 -33.962 16.169 1.00 0.00 O ATOM 2120 CB LYS A 135 4.426 -37.372 16.928 1.00 0.00 C ATOM 2121 CG LYS A 135 3.353 -38.402 17.238 1.00 0.00 C ATOM 2122 CD LYS A 135 2.978 -38.391 18.710 1.00 0.00 C ATOM 2123 CE LYS A 135 4.169 -38.740 19.591 1.00 0.00 C ATOM 2124 NZ LYS A 135 3.742 -39.257 20.921 1.00 0.00 N ATOM 0 H LYS A 135 2.264 -36.361 16.323 1.00 0.00 H new ATOM 0 HA LYS A 135 4.048 -35.882 18.432 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.633 -37.386 15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.348 -37.656 17.435 1.00 0.00 H new ATOM 0 HG2 LYS A 135 2.468 -38.200 16.635 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.708 -39.394 16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.598 -37.406 18.983 1.00 0.00 H new ATOM 0 HD3 LYS A 135 2.172 -39.103 18.887 1.00 0.00 H new ATOM 0 HE2 LYS A 135 4.784 -39.488 19.091 1.00 0.00 H new ATOM 0 HE3 LYS A 135 4.791 -37.856 19.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 4.582 -39.483 21.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 3.176 -38.534 21.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 3.169 -40.116 20.792 1.00 0.00 H new