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= -2.91 K(o=-0.67,f=-1.7) USER MOD Set 1.2: A 74 THR OG1 : rot 70:sc= 2.24 USER MOD Set 2.1: A 44 CYS SG : rot 34:sc= -0.452 USER MOD Set 2.2: A 54 TYR OH : rot -155:sc= -1.47! USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= -2! (180deg=-2.2!) USER MOD Single : A 33 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.27) 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 45 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.035) USER MOD Single : A 49 CYS SG : rot -18:sc= 0.0653 USER MOD Single : A 52 CYS SG : rot 146:sc= 0.823 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 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot -160:sc= -1.56 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -60:sc= -0.282 USER MOD Single : A 75 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.41) USER MOD Single : A 81 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.5!) USER MOD Single : A 84 GLN : amide:sc= 0.179 X(o=0.18,f=-0.051) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00419) USER MOD Single : A 99 TYR OH : rot -23:sc= 1.25 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00737 USER MOD Single : A 105 CYS SG : rot 21:sc= 0.112 USER MOD Single : A 108 CYS SG : rot 180:sc= -0.835 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.9!) USER MOD Single : A 124 MET CE :methyl -148:sc= 0 (180deg=-1.11) USER MOD Single : A 128 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 424 N ARG A 27 -6.221 -27.590 11.362 1.00 0.00 N ATOM 425 CA ARG A 27 -7.620 -27.556 10.953 1.00 0.00 C ATOM 426 C ARG A 27 -7.756 -27.840 9.460 1.00 0.00 C ATOM 427 O ARG A 27 -7.026 -27.282 8.641 1.00 0.00 O ATOM 428 CB ARG A 27 -8.237 -26.195 11.281 1.00 0.00 C ATOM 429 CG ARG A 27 -7.794 -25.083 10.344 1.00 0.00 C ATOM 430 CD ARG A 27 -8.773 -24.899 9.196 1.00 0.00 C ATOM 431 NE ARG A 27 -9.862 -23.990 9.546 1.00 0.00 N ATOM 432 CZ ARG A 27 -9.753 -22.666 9.515 1.00 0.00 C ATOM 433 NH1 ARG A 27 -8.611 -22.100 9.151 1.00 0.00 N ATOM 434 NH2 ARG A 27 -10.789 -21.906 9.847 1.00 0.00 N ATOM 0 HA ARG A 27 -8.152 -28.331 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.323 -26.279 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.974 -25.923 12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.705 -24.150 10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.805 -25.313 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.243 -24.512 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.186 -25.867 8.913 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.755 -24.394 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.813 -22.681 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.530 -21.083 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.670 -22.338 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.704 -20.890 9.823 1.00 0.00 H new ATOM 448 N LYS A 28 -8.695 -28.714 9.113 1.00 0.00 N ATOM 449 CA LYS A 28 -8.929 -29.074 7.719 1.00 0.00 C ATOM 450 C LYS A 28 -10.398 -29.411 7.483 1.00 0.00 C ATOM 451 O LYS A 28 -11.136 -29.704 8.424 1.00 0.00 O ATOM 452 CB LYS A 28 -8.051 -30.263 7.324 1.00 0.00 C ATOM 453 CG LYS A 28 -7.833 -31.259 8.450 1.00 0.00 C ATOM 454 CD LYS A 28 -6.573 -30.943 9.238 1.00 0.00 C ATOM 455 CE LYS A 28 -6.211 -32.074 10.188 1.00 0.00 C ATOM 456 NZ LYS A 28 -4.857 -31.889 10.780 1.00 0.00 N ATOM 0 H LYS A 28 -9.307 -29.186 9.778 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.668 -28.216 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.509 -30.777 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.083 -29.893 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.694 -31.248 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.763 -32.266 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.747 -30.766 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.718 -30.023 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.952 -32.129 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.247 -33.023 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.279 -32.734 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.401 -31.058 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.944 -31.746 11.806 1.00 0.00 H new ATOM 470 N PHE A 29 -10.814 -29.370 6.222 1.00 0.00 N ATOM 471 CA PHE A 29 -12.195 -29.672 5.863 1.00 0.00 C ATOM 472 C PHE A 29 -12.317 -29.964 4.370 1.00 0.00 C ATOM 473 O PHE A 29 -11.743 -29.259 3.540 1.00 0.00 O ATOM 474 CB PHE A 29 -13.110 -28.506 6.243 1.00 0.00 C ATOM 475 CG PHE A 29 -14.135 -28.182 5.194 1.00 0.00 C ATOM 476 CD1 PHE A 29 -15.226 -29.013 4.993 1.00 0.00 C ATOM 477 CD2 PHE A 29 -14.009 -27.047 4.410 1.00 0.00 C ATOM 478 CE1 PHE A 29 -16.170 -28.717 4.028 1.00 0.00 C ATOM 479 CE2 PHE A 29 -14.950 -26.746 3.444 1.00 0.00 C ATOM 480 CZ PHE A 29 -16.033 -27.582 3.253 1.00 0.00 C ATOM 0 H PHE A 29 -10.215 -29.131 5.432 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.502 -30.560 6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.620 -28.744 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.500 -27.622 6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.340 -29.901 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -13.165 -26.389 4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -17.015 -29.373 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.839 -25.858 2.839 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.771 -27.349 2.500 1.00 0.00 H new ATOM 490 N ILE A 30 -13.069 -31.007 4.037 1.00 0.00 N ATOM 491 CA ILE A 30 -13.268 -31.392 2.645 1.00 0.00 C ATOM 492 C ILE A 30 -14.625 -32.058 2.447 1.00 0.00 C ATOM 493 O ILE A 30 -15.216 -32.578 3.393 1.00 0.00 O ATOM 494 CB ILE A 30 -12.163 -32.350 2.163 1.00 0.00 C ATOM 495 CG1 ILE A 30 -12.373 -33.745 2.756 1.00 0.00 C ATOM 496 CG2 ILE A 30 -10.791 -31.810 2.540 1.00 0.00 C ATOM 497 CD1 ILE A 30 -11.257 -34.714 2.432 1.00 0.00 C ATOM 0 H ILE A 30 -13.551 -31.601 4.712 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.227 -30.476 2.055 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.216 -32.425 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.467 -33.660 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.314 -34.151 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.021 -32.499 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.643 -30.835 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.725 -31.709 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.473 -35.682 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.177 -34.828 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.316 -34.331 2.827 1.00 0.00 H new ATOM 509 N ILE A 31 -15.112 -32.040 1.211 1.00 0.00 N ATOM 510 CA ILE A 31 -16.398 -32.645 0.888 1.00 0.00 C ATOM 511 C ILE A 31 -16.294 -33.529 -0.350 1.00 0.00 C ATOM 512 O ILE A 31 -15.571 -33.211 -1.294 1.00 0.00 O ATOM 513 CB ILE A 31 -17.480 -31.575 0.652 1.00 0.00 C ATOM 514 CG1 ILE A 31 -17.156 -30.307 1.445 1.00 0.00 C ATOM 515 CG2 ILE A 31 -18.850 -32.113 1.038 1.00 0.00 C ATOM 516 CD1 ILE A 31 -16.315 -29.312 0.677 1.00 0.00 C ATOM 0 H ILE A 31 -14.635 -31.613 0.417 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.684 -33.256 1.744 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.496 -31.323 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.088 -29.828 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -16.632 -30.584 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.604 -31.345 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -19.080 -32.990 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.848 -32.390 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.125 -28.439 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.367 -29.774 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.846 -29.005 -0.224 1.00 0.00 H new ATOM 528 N ALA A 32 -17.024 -34.640 -0.340 1.00 0.00 N ATOM 529 CA ALA A 32 -17.017 -35.568 -1.464 1.00 0.00 C ATOM 530 C ALA A 32 -18.406 -35.693 -2.081 1.00 0.00 C ATOM 531 O ALA A 32 -19.383 -35.963 -1.385 1.00 0.00 O ATOM 532 CB ALA A 32 -16.512 -36.932 -1.019 1.00 0.00 C ATOM 0 H ALA A 32 -17.627 -34.919 0.434 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.343 -35.173 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.512 -37.615 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.498 -36.836 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -17.164 -37.324 -0.238 1.00 0.00 H new ATOM 538 N ASN A 33 -18.486 -35.493 -3.393 1.00 0.00 N ATOM 539 CA ASN A 33 -19.756 -35.582 -4.104 1.00 0.00 C ATOM 540 C ASN A 33 -20.059 -37.024 -4.499 1.00 0.00 C ATOM 541 O ASN A 33 -19.197 -37.729 -5.023 1.00 0.00 O ATOM 542 CB ASN A 33 -19.729 -34.695 -5.350 1.00 0.00 C ATOM 543 CG ASN A 33 -19.144 -35.407 -6.554 1.00 0.00 C ATOM 544 OD1 ASN A 33 -19.857 -35.737 -7.502 1.00 0.00 O ATOM 545 ND2 ASN A 33 -17.838 -35.648 -6.522 1.00 0.00 N ATOM 0 H ASN A 33 -17.686 -35.268 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.544 -35.235 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -20.743 -34.368 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -19.145 -33.799 -5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.388 -36.124 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.285 -35.357 -5.716 1.00 0.00 H new ATOM 552 N ALA A 34 -21.289 -37.456 -4.243 1.00 0.00 N ATOM 553 CA ALA A 34 -21.707 -38.812 -4.574 1.00 0.00 C ATOM 554 C ALA A 34 -21.426 -39.132 -6.038 1.00 0.00 C ATOM 555 O ALA A 34 -21.259 -40.294 -6.409 1.00 0.00 O ATOM 556 CB ALA A 34 -23.185 -38.999 -4.266 1.00 0.00 C ATOM 0 H ALA A 34 -22.014 -36.886 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.129 -39.503 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -23.483 -40.017 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -23.361 -38.822 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -23.771 -38.293 -4.854 1.00 0.00 H new ATOM 631 N CYS A 39 -13.793 -41.198 -8.178 1.00 0.00 N ATOM 632 CA CYS A 39 -13.863 -41.792 -6.847 1.00 0.00 C ATOM 633 C CYS A 39 -12.928 -41.072 -5.881 1.00 0.00 C ATOM 634 O CYS A 39 -12.170 -41.705 -5.147 1.00 0.00 O ATOM 635 CB CYS A 39 -13.505 -43.278 -6.910 1.00 0.00 C ATOM 636 SG CYS A 39 -14.279 -44.278 -5.618 1.00 0.00 S ATOM 0 HA CYS A 39 -14.885 -41.687 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -13.799 -43.671 -7.883 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.423 -43.384 -6.837 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.918 -45.519 -5.755 1.00 0.00 H new ATOM 642 N ALA A 40 -12.987 -39.744 -5.887 1.00 0.00 N ATOM 643 CA ALA A 40 -12.147 -38.938 -5.011 1.00 0.00 C ATOM 644 C ALA A 40 -12.888 -37.695 -4.530 1.00 0.00 C ATOM 645 O ALA A 40 -13.971 -37.376 -5.022 1.00 0.00 O ATOM 646 CB ALA A 40 -10.863 -38.545 -5.726 1.00 0.00 C ATOM 0 H ALA A 40 -13.608 -39.204 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.895 -39.539 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.245 -37.943 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.317 -39.444 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.105 -37.966 -6.617 1.00 0.00 H new ATOM 652 N VAL A 41 -12.299 -36.996 -3.566 1.00 0.00 N ATOM 653 CA VAL A 41 -12.903 -35.787 -3.019 1.00 0.00 C ATOM 654 C VAL A 41 -13.237 -34.791 -4.123 1.00 0.00 C ATOM 655 O VAL A 41 -12.585 -34.765 -5.168 1.00 0.00 O ATOM 656 CB VAL A 41 -11.974 -35.108 -1.995 1.00 0.00 C ATOM 657 CG1 VAL A 41 -12.697 -33.972 -1.288 1.00 0.00 C ATOM 658 CG2 VAL A 41 -11.454 -36.127 -0.991 1.00 0.00 C ATOM 0 H VAL A 41 -11.403 -37.246 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.822 -36.092 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.121 -34.687 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.025 -33.505 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -13.015 -33.231 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.570 -34.365 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.799 -35.631 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.294 -36.578 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.896 -36.903 -1.516 1.00 0.00 H new ATOM 668 N ILE A 42 -14.257 -33.972 -3.886 1.00 0.00 N ATOM 669 CA ILE A 42 -14.676 -32.973 -4.861 1.00 0.00 C ATOM 670 C ILE A 42 -14.190 -31.582 -4.466 1.00 0.00 C ATOM 671 O ILE A 42 -13.905 -30.747 -5.324 1.00 0.00 O ATOM 672 CB ILE A 42 -16.208 -32.944 -5.014 1.00 0.00 C ATOM 673 CG1 ILE A 42 -16.592 -32.744 -6.481 1.00 0.00 C ATOM 674 CG2 ILE A 42 -16.807 -31.845 -4.149 1.00 0.00 C ATOM 675 CD1 ILE A 42 -15.985 -31.505 -7.101 1.00 0.00 C ATOM 0 H ILE A 42 -14.808 -33.981 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.229 -33.255 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 42 -16.610 -33.901 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -16.278 -33.617 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -17.678 -32.685 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -17.890 -31.838 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.558 -32.029 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.402 -30.880 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -16.300 -31.427 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -16.319 -30.623 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.898 -31.570 -7.055 1.00 0.00 H new ATOM 687 N TYR A 43 -14.096 -31.342 -3.163 1.00 0.00 N ATOM 688 CA TYR A 43 -13.644 -30.053 -2.654 1.00 0.00 C ATOM 689 C TYR A 43 -12.844 -30.225 -1.367 1.00 0.00 C ATOM 690 O TYR A 43 -13.049 -31.182 -0.619 1.00 0.00 O ATOM 691 CB TYR A 43 -14.840 -29.132 -2.405 1.00 0.00 C ATOM 692 CG TYR A 43 -14.895 -27.945 -3.340 1.00 0.00 C ATOM 693 CD1 TYR A 43 -15.315 -28.091 -4.656 1.00 0.00 C ATOM 694 CD2 TYR A 43 -14.526 -26.677 -2.907 1.00 0.00 C ATOM 695 CE1 TYR A 43 -15.367 -27.009 -5.514 1.00 0.00 C ATOM 696 CE2 TYR A 43 -14.576 -25.589 -3.757 1.00 0.00 C ATOM 697 CZ TYR A 43 -14.997 -25.760 -5.059 1.00 0.00 C ATOM 698 OH TYR A 43 -15.046 -24.680 -5.910 1.00 0.00 O ATOM 0 H TYR A 43 -14.327 -32.023 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.996 -29.602 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.759 -29.708 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.803 -28.772 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.606 -29.067 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -14.194 -26.540 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -15.695 -27.140 -6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -14.287 -24.610 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.754 -23.875 -5.434 1.00 0.00 H new ATOM 708 N CYS A 44 -11.933 -29.292 -1.115 1.00 0.00 N ATOM 709 CA CYS A 44 -11.101 -29.339 0.082 1.00 0.00 C ATOM 710 C CYS A 44 -10.575 -27.951 0.433 1.00 0.00 C ATOM 711 O CYS A 44 -10.175 -27.187 -0.445 1.00 0.00 O ATOM 712 CB CYS A 44 -9.932 -30.304 -0.122 1.00 0.00 C ATOM 713 SG CYS A 44 -9.051 -30.076 -1.685 1.00 0.00 S ATOM 0 H CYS A 44 -11.752 -28.494 -1.723 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.716 -29.694 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.227 -30.183 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.306 -31.327 -0.074 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.045 -28.815 -2.000 1.00 0.00 H new ATOM 719 N ASN A 45 -10.581 -27.631 1.723 1.00 0.00 N ATOM 720 CA ASN A 45 -10.107 -26.333 2.191 1.00 0.00 C ATOM 721 C ASN A 45 -8.600 -26.199 1.988 1.00 0.00 C ATOM 722 O ASN A 45 -7.978 -27.023 1.318 1.00 0.00 O ATOM 723 CB ASN A 45 -10.453 -26.143 3.669 1.00 0.00 C ATOM 724 CG ASN A 45 -11.092 -24.795 3.944 1.00 0.00 C ATOM 725 OD1 ASN A 45 -10.645 -24.051 4.818 1.00 0.00 O ATOM 726 ND2 ASN A 45 -12.142 -24.475 3.198 1.00 0.00 N ATOM 0 H ASN A 45 -10.909 -28.252 2.463 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.605 -25.560 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.132 -26.935 3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.547 -26.242 4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.613 -23.581 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.478 -25.123 2.485 1.00 0.00 H new ATOM 733 N ASP A 46 -8.021 -25.156 2.573 1.00 0.00 N ATOM 734 CA ASP A 46 -6.588 -24.915 2.459 1.00 0.00 C ATOM 735 C ASP A 46 -5.805 -25.841 3.384 1.00 0.00 C ATOM 736 O ASP A 46 -4.735 -26.333 3.027 1.00 0.00 O ATOM 737 CB ASP A 46 -6.267 -23.456 2.788 1.00 0.00 C ATOM 738 CG ASP A 46 -4.837 -23.086 2.447 1.00 0.00 C ATOM 739 OD1 ASP A 46 -3.913 -23.734 2.983 1.00 0.00 O ATOM 740 OD2 ASP A 46 -4.641 -22.151 1.644 1.00 0.00 O ATOM 0 H ASP A 46 -8.522 -24.464 3.131 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.291 -25.122 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.948 -22.805 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.442 -23.279 3.849 1.00 0.00 H new ATOM 745 N GLY A 47 -6.346 -26.074 4.576 1.00 0.00 N ATOM 746 CA GLY A 47 -5.684 -26.940 5.535 1.00 0.00 C ATOM 747 C GLY A 47 -5.294 -28.277 4.936 1.00 0.00 C ATOM 748 O GLY A 47 -4.185 -28.764 5.156 1.00 0.00 O ATOM 0 H GLY A 47 -7.231 -25.679 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.792 -26.442 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.344 -27.105 6.387 1.00 0.00 H new ATOM 752 N PHE A 48 -6.207 -28.873 4.177 1.00 0.00 N ATOM 753 CA PHE A 48 -5.954 -30.163 3.546 1.00 0.00 C ATOM 754 C PHE A 48 -4.639 -30.141 2.773 1.00 0.00 C ATOM 755 O PHE A 48 -3.810 -31.042 2.911 1.00 0.00 O ATOM 756 CB PHE A 48 -7.105 -30.530 2.607 1.00 0.00 C ATOM 757 CG PHE A 48 -7.205 -32.003 2.329 1.00 0.00 C ATOM 758 CD1 PHE A 48 -7.247 -32.916 3.370 1.00 0.00 C ATOM 759 CD2 PHE A 48 -7.258 -32.473 1.027 1.00 0.00 C ATOM 760 CE1 PHE A 48 -7.339 -34.272 3.116 1.00 0.00 C ATOM 761 CE2 PHE A 48 -7.349 -33.828 0.767 1.00 0.00 C ATOM 762 CZ PHE A 48 -7.391 -34.728 1.814 1.00 0.00 C ATOM 0 H PHE A 48 -7.129 -28.483 3.984 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.881 -30.916 4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.043 -30.186 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.978 -29.998 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.207 -32.565 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.228 -31.773 0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.370 -34.974 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.387 -34.182 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.464 -35.787 1.614 1.00 0.00 H new ATOM 772 N CYS A 49 -4.455 -29.108 1.959 1.00 0.00 N ATOM 773 CA CYS A 49 -3.241 -28.968 1.162 1.00 0.00 C ATOM 774 C CYS A 49 -2.029 -28.726 2.055 1.00 0.00 C ATOM 775 O CYS A 49 -0.924 -29.172 1.751 1.00 0.00 O ATOM 776 CB CYS A 49 -3.391 -27.820 0.163 1.00 0.00 C ATOM 777 SG CYS A 49 -1.889 -27.458 -0.776 1.00 0.00 S ATOM 0 H CYS A 49 -5.131 -28.355 1.833 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.086 -29.898 0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.193 -28.062 -0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.696 -26.922 0.701 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.863 -27.982 -0.173 1.00 0.00 H new ATOM 783 N GLU A 50 -2.245 -28.014 3.157 1.00 0.00 N ATOM 784 CA GLU A 50 -1.169 -27.711 4.093 1.00 0.00 C ATOM 785 C GLU A 50 -0.856 -28.918 4.973 1.00 0.00 C ATOM 786 O GLU A 50 0.179 -28.963 5.639 1.00 0.00 O ATOM 787 CB GLU A 50 -1.546 -26.513 4.968 1.00 0.00 C ATOM 788 CG GLU A 50 -1.980 -26.898 6.372 1.00 0.00 C ATOM 789 CD GLU A 50 -0.810 -27.030 7.328 1.00 0.00 C ATOM 790 OE1 GLU A 50 0.236 -26.397 7.076 1.00 0.00 O ATOM 791 OE2 GLU A 50 -0.940 -27.768 8.327 1.00 0.00 O ATOM 0 H GLU A 50 -3.155 -27.637 3.423 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.279 -27.464 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.692 -25.838 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.353 -25.961 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.673 -26.148 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.522 -27.843 6.335 1.00 0.00 H new ATOM 798 N LEU A 51 -1.757 -29.894 4.969 1.00 0.00 N ATOM 799 CA LEU A 51 -1.579 -31.103 5.767 1.00 0.00 C ATOM 800 C LEU A 51 -0.753 -32.138 5.009 1.00 0.00 C ATOM 801 O LEU A 51 0.285 -32.592 5.491 1.00 0.00 O ATOM 802 CB LEU A 51 -2.938 -31.694 6.144 1.00 0.00 C ATOM 803 CG LEU A 51 -3.291 -31.671 7.631 1.00 0.00 C ATOM 804 CD1 LEU A 51 -2.479 -32.710 8.389 1.00 0.00 C ATOM 805 CD2 LEU A 51 -3.061 -30.284 8.213 1.00 0.00 C ATOM 0 H LEU A 51 -2.618 -29.872 4.423 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.043 -30.833 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.711 -31.152 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.970 -32.728 5.799 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.348 -31.917 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.744 -32.679 9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.694 -33.701 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.416 -32.495 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.318 -30.287 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.013 -30.009 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.687 -29.561 7.690 1.00 0.00 H new ATOM 817 N CYS A 52 -1.220 -32.505 3.821 1.00 0.00 N ATOM 818 CA CYS A 52 -0.525 -33.486 2.996 1.00 0.00 C ATOM 819 C CYS A 52 0.553 -32.817 2.149 1.00 0.00 C ATOM 820 O CYS A 52 1.437 -33.483 1.611 1.00 0.00 O ATOM 821 CB CYS A 52 -1.517 -34.220 2.093 1.00 0.00 C ATOM 822 SG CYS A 52 -0.778 -35.536 1.099 1.00 0.00 S ATOM 0 H CYS A 52 -2.077 -32.138 3.408 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.047 -34.207 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.307 -34.647 2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.988 -33.497 1.427 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.631 -36.507 0.962 1.00 0.00 H new ATOM 828 N GLY A 53 0.471 -31.495 2.032 1.00 0.00 N ATOM 829 CA GLY A 53 1.445 -30.758 1.248 1.00 0.00 C ATOM 830 C GLY A 53 1.607 -31.319 -0.151 1.00 0.00 C ATOM 831 O GLY A 53 2.673 -31.200 -0.755 1.00 0.00 O ATOM 0 H GLY A 53 -0.252 -30.922 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.140 -29.713 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.408 -30.778 1.758 1.00 0.00 H new ATOM 835 N TYR A 54 0.548 -31.934 -0.666 1.00 0.00 N ATOM 836 CA TYR A 54 0.580 -32.520 -2.001 1.00 0.00 C ATOM 837 C TYR A 54 0.722 -31.439 -3.068 1.00 0.00 C ATOM 838 O TYR A 54 0.907 -30.263 -2.755 1.00 0.00 O ATOM 839 CB TYR A 54 -0.690 -33.336 -2.252 1.00 0.00 C ATOM 840 CG TYR A 54 -1.959 -32.622 -1.848 1.00 0.00 C ATOM 841 CD1 TYR A 54 -2.272 -31.372 -2.369 1.00 0.00 C ATOM 842 CD2 TYR A 54 -2.845 -33.195 -0.945 1.00 0.00 C ATOM 843 CE1 TYR A 54 -3.430 -30.715 -2.002 1.00 0.00 C ATOM 844 CE2 TYR A 54 -4.007 -32.546 -0.573 1.00 0.00 C ATOM 845 CZ TYR A 54 -4.295 -31.306 -1.105 1.00 0.00 C ATOM 846 OH TYR A 54 -5.450 -30.655 -0.736 1.00 0.00 O ATOM 0 H TYR A 54 -0.342 -32.040 -0.180 1.00 0.00 H new ATOM 0 HA TYR A 54 1.446 -33.179 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.746 -33.588 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.622 -34.276 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.598 -30.907 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.622 -34.165 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.657 -29.743 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.685 -33.007 0.130 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.736 -30.971 0.147 1.00 0.00 H new ATOM 856 N SER A 55 0.633 -31.847 -4.330 1.00 0.00 N ATOM 857 CA SER A 55 0.755 -30.914 -5.445 1.00 0.00 C ATOM 858 C SER A 55 -0.615 -30.396 -5.871 1.00 0.00 C ATOM 859 O SER A 55 -1.641 -31.012 -5.583 1.00 0.00 O ATOM 860 CB SER A 55 1.448 -31.591 -6.629 1.00 0.00 C ATOM 861 OG SER A 55 2.786 -31.141 -6.761 1.00 0.00 O ATOM 0 H SER A 55 0.477 -32.816 -4.606 1.00 0.00 H new ATOM 0 HA SER A 55 1.358 -30.068 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.436 -32.672 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.898 -31.380 -7.546 1.00 0.00 H new ATOM 0 HG SER A 55 3.208 -31.589 -7.523 1.00 0.00 H new ATOM 867 N ARG A 56 -0.622 -29.259 -6.559 1.00 0.00 N ATOM 868 CA ARG A 56 -1.865 -28.656 -7.025 1.00 0.00 C ATOM 869 C ARG A 56 -2.589 -29.583 -7.997 1.00 0.00 C ATOM 870 O ARG A 56 -3.812 -29.534 -8.123 1.00 0.00 O ATOM 871 CB ARG A 56 -1.583 -27.312 -7.700 1.00 0.00 C ATOM 872 CG ARG A 56 -2.832 -26.616 -8.217 1.00 0.00 C ATOM 873 CD ARG A 56 -2.609 -25.121 -8.382 1.00 0.00 C ATOM 874 NE ARG A 56 -2.266 -24.767 -9.757 1.00 0.00 N ATOM 875 CZ ARG A 56 -1.708 -23.612 -10.101 1.00 0.00 C ATOM 876 NH1 ARG A 56 -1.431 -22.704 -9.175 1.00 0.00 N ATOM 877 NH2 ARG A 56 -1.425 -23.363 -11.373 1.00 0.00 N ATOM 0 H ARG A 56 0.219 -28.737 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.507 -28.493 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.080 -26.656 -6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.895 -27.469 -8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.122 -27.050 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.658 -26.788 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.510 -24.585 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.810 -24.798 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.466 -25.444 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.647 -22.892 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.002 -21.818 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.636 -24.059 -12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.996 -22.475 -11.636 1.00 0.00 H new ATOM 891 N ALA A 57 -1.825 -30.427 -8.682 1.00 0.00 N ATOM 892 CA ALA A 57 -2.393 -31.366 -9.641 1.00 0.00 C ATOM 893 C ALA A 57 -2.799 -32.669 -8.959 1.00 0.00 C ATOM 894 O ALA A 57 -3.455 -33.517 -9.563 1.00 0.00 O ATOM 895 CB ALA A 57 -1.401 -31.642 -10.761 1.00 0.00 C ATOM 0 H ALA A 57 -0.810 -30.480 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.289 -30.914 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.839 -32.345 -11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.163 -30.710 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.489 -32.069 -10.343 1.00 0.00 H new ATOM 901 N GLU A 58 -2.403 -32.820 -7.699 1.00 0.00 N ATOM 902 CA GLU A 58 -2.725 -34.021 -6.937 1.00 0.00 C ATOM 903 C GLU A 58 -3.809 -33.734 -5.902 1.00 0.00 C ATOM 904 O GLU A 58 -4.183 -34.608 -5.120 1.00 0.00 O ATOM 905 CB GLU A 58 -1.473 -34.563 -6.244 1.00 0.00 C ATOM 906 CG GLU A 58 -0.469 -35.186 -7.200 1.00 0.00 C ATOM 907 CD GLU A 58 0.590 -36.001 -6.484 1.00 0.00 C ATOM 908 OE1 GLU A 58 1.200 -35.473 -5.530 1.00 0.00 O ATOM 909 OE2 GLU A 58 0.809 -37.166 -6.876 1.00 0.00 O ATOM 0 H GLU A 58 -1.859 -32.127 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.100 -34.772 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.989 -33.752 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.770 -35.308 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.996 -35.825 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.014 -34.398 -7.778 1.00 0.00 H new ATOM 916 N VAL A 59 -4.309 -32.503 -5.904 1.00 0.00 N ATOM 917 CA VAL A 59 -5.351 -32.099 -4.966 1.00 0.00 C ATOM 918 C VAL A 59 -6.735 -32.456 -5.496 1.00 0.00 C ATOM 919 O VAL A 59 -7.659 -32.710 -4.724 1.00 0.00 O ATOM 920 CB VAL A 59 -5.295 -30.586 -4.683 1.00 0.00 C ATOM 921 CG1 VAL A 59 -5.680 -29.796 -5.925 1.00 0.00 C ATOM 922 CG2 VAL A 59 -6.200 -30.230 -3.513 1.00 0.00 C ATOM 0 H VAL A 59 -4.010 -31.768 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.170 -32.641 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.272 -30.321 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.635 -28.729 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.988 -30.030 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.693 -30.062 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.149 -29.157 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.227 -30.508 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.874 -30.769 -2.624 1.00 0.00 H new ATOM 932 N MET A 60 -6.871 -32.474 -6.818 1.00 0.00 N ATOM 933 CA MET A 60 -8.143 -32.802 -7.451 1.00 0.00 C ATOM 934 C MET A 60 -8.188 -34.273 -7.850 1.00 0.00 C ATOM 935 O MET A 60 -8.579 -34.610 -8.967 1.00 0.00 O ATOM 936 CB MET A 60 -8.367 -31.921 -8.681 1.00 0.00 C ATOM 937 CG MET A 60 -8.795 -30.502 -8.343 1.00 0.00 C ATOM 938 SD MET A 60 -9.303 -29.564 -9.797 1.00 0.00 S ATOM 939 CE MET A 60 -10.449 -28.399 -9.065 1.00 0.00 C ATOM 0 H MET A 60 -6.116 -32.265 -7.471 1.00 0.00 H new ATOM 0 HA MET A 60 -8.938 -32.615 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 60 -7.447 -31.885 -9.264 1.00 0.00 H new ATOM 0 HB3 MET A 60 -9.127 -32.380 -9.313 1.00 0.00 H new ATOM 0 HG2 MET A 60 -9.619 -30.535 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.970 -29.985 -7.852 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.850 -27.747 -9.841 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.266 -28.942 -8.590 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.930 -27.798 -8.318 1.00 0.00 H new ATOM 949 N GLN A 61 -7.786 -35.144 -6.929 1.00 0.00 N ATOM 950 CA GLN A 61 -7.781 -36.579 -7.187 1.00 0.00 C ATOM 951 C GLN A 61 -7.398 -37.356 -5.932 1.00 0.00 C ATOM 952 O GLN A 61 -6.780 -38.418 -6.012 1.00 0.00 O ATOM 953 CB GLN A 61 -6.811 -36.911 -8.323 1.00 0.00 C ATOM 954 CG GLN A 61 -7.008 -38.302 -8.904 1.00 0.00 C ATOM 955 CD GLN A 61 -6.705 -38.362 -10.388 1.00 0.00 C ATOM 956 OE1 GLN A 61 -7.612 -38.465 -11.214 1.00 0.00 O ATOM 957 NE2 GLN A 61 -5.425 -38.299 -10.735 1.00 0.00 N ATOM 0 H GLN A 61 -7.460 -34.881 -5.999 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.788 -36.873 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.929 -36.174 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.789 -36.821 -7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.365 -39.006 -8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.036 -38.621 -8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.706 -38.214 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.161 -38.336 -11.720 1.00 0.00 H new ATOM 966 N ARG A 62 -7.768 -36.820 -4.774 1.00 0.00 N ATOM 967 CA ARG A 62 -7.462 -37.462 -3.501 1.00 0.00 C ATOM 968 C ARG A 62 -8.616 -38.353 -3.050 1.00 0.00 C ATOM 969 O ARG A 62 -9.785 -37.970 -3.102 1.00 0.00 O ATOM 970 CB ARG A 62 -7.168 -36.409 -2.432 1.00 0.00 C ATOM 971 CG ARG A 62 -5.978 -35.523 -2.760 1.00 0.00 C ATOM 972 CD ARG A 62 -4.810 -35.789 -1.823 1.00 0.00 C ATOM 973 NE ARG A 62 -3.548 -35.922 -2.546 1.00 0.00 N ATOM 974 CZ ARG A 62 -3.158 -37.041 -3.145 1.00 0.00 C ATOM 975 NH1 ARG A 62 -3.928 -38.120 -3.108 1.00 0.00 N ATOM 976 NH2 ARG A 62 -1.995 -37.083 -3.783 1.00 0.00 N ATOM 0 H ARG A 62 -8.281 -35.942 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.578 -38.085 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.050 -35.783 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.986 -36.910 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.666 -35.697 -3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.272 -34.476 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.731 -34.975 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.001 -36.700 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.932 -35.110 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.822 -38.092 -2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.626 -38.978 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.400 -36.255 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.696 -37.943 -4.243 1.00 0.00 H new ATOM 990 N PRO A 63 -8.282 -39.571 -2.598 1.00 0.00 N ATOM 991 CA PRO A 63 -9.275 -40.541 -2.129 1.00 0.00 C ATOM 992 C PRO A 63 -9.920 -40.121 -0.812 1.00 0.00 C ATOM 993 O PRO A 63 -9.260 -39.556 0.061 1.00 0.00 O ATOM 994 CB PRO A 63 -8.459 -41.822 -1.939 1.00 0.00 C ATOM 995 CG PRO A 63 -7.066 -41.351 -1.698 1.00 0.00 C ATOM 996 CD PRO A 63 -6.908 -40.093 -2.508 1.00 0.00 C ATOM 0 HA PRO A 63 -10.103 -40.647 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.830 -42.407 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.514 -42.461 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.897 -41.157 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.341 -42.105 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.239 -39.383 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.491 -40.299 -3.494 1.00 0.00 H new ATOM 1004 N CYS A 64 -11.212 -40.399 -0.676 1.00 0.00 N ATOM 1005 CA CYS A 64 -11.946 -40.049 0.534 1.00 0.00 C ATOM 1006 C CYS A 64 -11.721 -41.090 1.626 1.00 0.00 C ATOM 1007 O CYS A 64 -12.227 -40.957 2.741 1.00 0.00 O ATOM 1008 CB CYS A 64 -13.440 -39.924 0.232 1.00 0.00 C ATOM 1009 SG CYS A 64 -14.213 -38.445 0.928 1.00 0.00 S ATOM 0 H CYS A 64 -11.772 -40.866 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.574 -39.088 0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.582 -39.921 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.953 -40.805 0.618 1.00 0.00 H new ATOM 0 HG CYS A 64 -15.499 -38.619 0.997 1.00 0.00 H new ATOM 1015 N THR A 65 -10.959 -42.129 1.299 1.00 0.00 N ATOM 1016 CA THR A 65 -10.669 -43.194 2.250 1.00 0.00 C ATOM 1017 C THR A 65 -9.423 -42.877 3.069 1.00 0.00 C ATOM 1018 O THR A 65 -8.973 -43.693 3.874 1.00 0.00 O ATOM 1019 CB THR A 65 -10.470 -44.545 1.537 1.00 0.00 C ATOM 1020 OG1 THR A 65 -11.452 -44.704 0.506 1.00 0.00 O ATOM 1021 CG2 THR A 65 -10.573 -45.698 2.524 1.00 0.00 C ATOM 0 H THR A 65 -10.531 -42.255 0.382 1.00 0.00 H new ATOM 0 HA THR A 65 -11.529 -43.265 2.916 1.00 0.00 H new ATOM 0 HB THR A 65 -9.474 -44.554 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.318 -45.564 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.429 -46.642 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.806 -45.590 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.558 -45.690 2.992 1.00 0.00 H new ATOM 1029 N CYS A 66 -8.870 -41.688 2.858 1.00 0.00 N ATOM 1030 CA CYS A 66 -7.674 -41.262 3.577 1.00 0.00 C ATOM 1031 C CYS A 66 -6.508 -42.205 3.299 1.00 0.00 C ATOM 1032 O CYS A 66 -5.533 -42.240 4.049 1.00 0.00 O ATOM 1033 CB CYS A 66 -7.951 -41.204 5.080 1.00 0.00 C ATOM 1034 SG CYS A 66 -9.533 -40.441 5.510 1.00 0.00 S ATOM 0 H CYS A 66 -9.230 -41.002 2.195 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.404 -40.266 3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.927 -42.217 5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.148 -40.649 5.565 1.00 0.00 H new ATOM 0 HG CYS A 66 -9.558 -39.218 5.071 1.00 0.00 H new ATOM 1040 N ASP A 67 -6.617 -42.968 2.217 1.00 0.00 N ATOM 1041 CA ASP A 67 -5.571 -43.912 1.839 1.00 0.00 C ATOM 1042 C ASP A 67 -4.253 -43.189 1.583 1.00 0.00 C ATOM 1043 O ASP A 67 -3.182 -43.688 1.930 1.00 0.00 O ATOM 1044 CB ASP A 67 -5.988 -44.696 0.593 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.117 -45.914 0.358 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -4.698 -46.545 1.350 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.853 -46.236 -0.820 1.00 0.00 O ATOM 0 H ASP A 67 -7.418 -42.952 1.586 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.428 -44.608 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.027 -45.010 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.937 -44.043 -0.278 1.00 0.00 H new ATOM 1052 N PHE A 68 -4.338 -42.011 0.974 1.00 0.00 N ATOM 1053 CA PHE A 68 -3.152 -41.220 0.669 1.00 0.00 C ATOM 1054 C PHE A 68 -2.421 -40.822 1.948 1.00 0.00 C ATOM 1055 O PHE A 68 -1.281 -40.355 1.906 1.00 0.00 O ATOM 1056 CB PHE A 68 -3.536 -39.969 -0.123 1.00 0.00 C ATOM 1057 CG PHE A 68 -4.058 -38.853 0.736 1.00 0.00 C ATOM 1058 CD1 PHE A 68 -5.086 -39.077 1.638 1.00 0.00 C ATOM 1059 CD2 PHE A 68 -3.522 -37.579 0.641 1.00 0.00 C ATOM 1060 CE1 PHE A 68 -5.568 -38.052 2.430 1.00 0.00 C ATOM 1061 CE2 PHE A 68 -4.000 -36.550 1.431 1.00 0.00 C ATOM 1062 CZ PHE A 68 -5.025 -36.787 2.326 1.00 0.00 C ATOM 0 H PHE A 68 -5.217 -41.583 0.682 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.483 -41.832 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.664 -39.616 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.293 -40.234 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.516 -40.064 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.722 -37.387 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.369 -38.241 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.572 -35.562 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.401 -35.984 2.943 1.00 0.00 H new ATOM 1072 N LEU A 69 -3.084 -41.008 3.084 1.00 0.00 N ATOM 1073 CA LEU A 69 -2.499 -40.668 4.376 1.00 0.00 C ATOM 1074 C LEU A 69 -2.350 -41.909 5.250 1.00 0.00 C ATOM 1075 O LEU A 69 -1.786 -41.847 6.343 1.00 0.00 O ATOM 1076 CB LEU A 69 -3.363 -39.627 5.091 1.00 0.00 C ATOM 1077 CG LEU A 69 -3.116 -38.169 4.703 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.157 -37.263 5.341 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -1.713 -37.740 5.108 1.00 0.00 C ATOM 0 H LEU A 69 -4.027 -41.393 3.137 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.508 -40.250 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.410 -39.860 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.205 -39.728 6.165 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.203 -38.082 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.965 -36.229 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.151 -37.555 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.103 -37.354 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.554 -36.700 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.598 -37.843 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.980 -38.369 4.603 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.858 -43.036 4.760 1.00 0.00 N ATOM 1092 CA HIS A 70 -2.779 -44.293 5.496 1.00 0.00 C ATOM 1093 C HIS A 70 -1.748 -45.226 4.867 1.00 0.00 C ATOM 1094 O HIS A 70 -1.485 -45.158 3.667 1.00 0.00 O ATOM 1095 CB HIS A 70 -4.147 -44.974 5.531 1.00 0.00 C ATOM 1096 CG HIS A 70 -4.141 -46.293 6.241 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -3.753 -47.471 5.638 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -4.477 -46.616 7.512 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -3.852 -48.461 6.507 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -4.289 -47.969 7.652 1.00 0.00 N ATOM 0 H HIS A 70 -3.328 -43.104 3.857 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.467 -44.070 6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.861 -44.311 6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.496 -45.122 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.828 -45.936 8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.616 -49.497 6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.459 -48.507 8.502 1.00 0.00 H new ATOM 1108 N GLY A 71 -1.167 -46.096 5.687 1.00 0.00 N ATOM 1109 CA GLY A 71 -0.171 -47.030 5.193 1.00 0.00 C ATOM 1110 C GLY A 71 -0.214 -48.361 5.917 1.00 0.00 C ATOM 1111 O GLY A 71 -1.040 -48.583 6.803 1.00 0.00 O ATOM 0 H GLY A 71 -1.368 -46.171 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.329 -47.195 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.821 -46.591 5.304 1.00 0.00 H new ATOM 1115 N PRO A 72 0.691 -49.275 5.538 1.00 0.00 N ATOM 1116 CA PRO A 72 0.773 -50.607 6.144 1.00 0.00 C ATOM 1117 C PRO A 72 1.278 -50.559 7.582 1.00 0.00 C ATOM 1118 O PRO A 72 1.358 -51.586 8.256 1.00 0.00 O ATOM 1119 CB PRO A 72 1.774 -51.343 5.250 1.00 0.00 C ATOM 1120 CG PRO A 72 2.613 -50.266 4.654 1.00 0.00 C ATOM 1121 CD PRO A 72 1.706 -49.078 4.489 1.00 0.00 C ATOM 0 HA PRO A 72 -0.203 -51.089 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.379 -52.043 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.265 -51.921 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.457 -50.026 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.025 -50.578 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.245 -48.140 4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.257 -49.050 3.496 1.00 0.00 H new ATOM 1129 N ARG A 73 1.618 -49.361 8.046 1.00 0.00 N ATOM 1130 CA ARG A 73 2.116 -49.180 9.404 1.00 0.00 C ATOM 1131 C ARG A 73 1.005 -48.697 10.331 1.00 0.00 C ATOM 1132 O ARG A 73 1.135 -48.748 11.555 1.00 0.00 O ATOM 1133 CB ARG A 73 3.276 -48.182 9.416 1.00 0.00 C ATOM 1134 CG ARG A 73 4.531 -48.716 10.087 1.00 0.00 C ATOM 1135 CD ARG A 73 4.393 -48.723 11.602 1.00 0.00 C ATOM 1136 NE ARG A 73 5.647 -49.073 12.264 1.00 0.00 N ATOM 1137 CZ ARG A 73 5.742 -49.344 13.561 1.00 0.00 C ATOM 1138 NH1 ARG A 73 4.663 -49.307 14.330 1.00 0.00 N ATOM 1139 NH2 ARG A 73 6.919 -49.654 14.090 1.00 0.00 N ATOM 0 H ARG A 73 1.558 -48.501 7.501 1.00 0.00 H new ATOM 0 HA ARG A 73 2.472 -50.145 9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.514 -47.902 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.958 -47.274 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.731 -49.728 9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.386 -48.104 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.066 -47.740 11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.619 -49.434 11.892 1.00 0.00 H new ATOM 0 HE ARG A 73 6.496 -49.111 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.757 -49.070 13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.739 -49.516 15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.751 -49.684 13.501 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.992 -49.862 15.086 1.00 0.00 H new ATOM 1153 N THR A 74 -0.089 -48.225 9.740 1.00 0.00 N ATOM 1154 CA THR A 74 -1.222 -47.731 10.512 1.00 0.00 C ATOM 1155 C THR A 74 -2.105 -48.878 10.990 1.00 0.00 C ATOM 1156 O THR A 74 -2.052 -49.981 10.445 1.00 0.00 O ATOM 1157 CB THR A 74 -2.077 -46.749 9.688 1.00 0.00 C ATOM 1158 OG1 THR A 74 -1.539 -46.620 8.367 1.00 0.00 O ATOM 1159 CG2 THR A 74 -2.126 -45.383 10.356 1.00 0.00 C ATOM 0 H THR A 74 -0.214 -48.175 8.729 1.00 0.00 H new ATOM 0 HA THR A 74 -0.812 -47.208 11.376 1.00 0.00 H new ATOM 0 HB THR A 74 -3.091 -47.145 9.630 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.684 -47.453 7.872 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.735 -44.706 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.562 -45.480 11.350 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.116 -44.983 10.441 1.00 0.00 H new ATOM 1167 N GLN A 75 -2.915 -48.610 12.009 1.00 0.00 N ATOM 1168 CA GLN A 75 -3.809 -49.622 12.559 1.00 0.00 C ATOM 1169 C GLN A 75 -4.783 -50.123 11.497 1.00 0.00 C ATOM 1170 O GLN A 75 -5.033 -49.444 10.501 1.00 0.00 O ATOM 1171 CB GLN A 75 -4.582 -49.056 13.751 1.00 0.00 C ATOM 1172 CG GLN A 75 -5.194 -47.689 13.486 1.00 0.00 C ATOM 1173 CD GLN A 75 -4.702 -46.632 14.454 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -5.488 -45.848 14.987 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -3.395 -46.604 14.688 1.00 0.00 N ATOM 0 H GLN A 75 -2.971 -47.702 12.470 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.202 -50.463 12.895 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.374 -49.753 14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.912 -48.985 14.608 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.959 -47.381 12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.279 -47.762 13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.780 -47.273 14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.007 -45.914 15.331 1.00 0.00 H new ATOM 1184 N ARG A 76 -5.330 -51.314 11.718 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.275 -51.906 10.779 1.00 0.00 C ATOM 1186 C ARG A 76 -7.678 -51.345 10.994 1.00 0.00 C ATOM 1187 O ARG A 76 -8.381 -51.020 10.037 1.00 0.00 O ATOM 1188 CB ARG A 76 -6.294 -53.428 10.933 1.00 0.00 C ATOM 1189 CG ARG A 76 -6.415 -54.172 9.613 1.00 0.00 C ATOM 1190 CD ARG A 76 -5.734 -55.530 9.674 1.00 0.00 C ATOM 1191 NE ARG A 76 -6.487 -56.553 8.953 1.00 0.00 N ATOM 1192 CZ ARG A 76 -6.341 -57.856 9.162 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -5.474 -58.294 10.065 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -7.062 -58.726 8.466 1.00 0.00 N ATOM 0 H ARG A 76 -5.135 -51.888 12.539 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.952 -51.654 9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.381 -53.745 11.437 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.127 -53.709 11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.468 -54.303 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.970 -53.576 8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.732 -55.452 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.619 -55.831 10.715 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.162 -56.250 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.917 -57.629 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.364 -59.296 10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.729 -58.394 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.949 -59.727 8.627 1.00 0.00 H new ATOM 1208 N ARG A 77 -8.079 -51.235 12.256 1.00 0.00 N ATOM 1209 CA ARG A 77 -9.398 -50.716 12.597 1.00 0.00 C ATOM 1210 C ARG A 77 -9.639 -49.365 11.929 1.00 0.00 C ATOM 1211 O ARG A 77 -10.779 -48.993 11.654 1.00 0.00 O ATOM 1212 CB ARG A 77 -9.540 -50.580 14.114 1.00 0.00 C ATOM 1213 CG ARG A 77 -9.394 -51.896 14.860 1.00 0.00 C ATOM 1214 CD ARG A 77 -10.748 -52.479 15.231 1.00 0.00 C ATOM 1215 NE ARG A 77 -10.627 -53.592 16.169 1.00 0.00 N ATOM 1216 CZ ARG A 77 -10.393 -53.436 17.467 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -10.258 -52.221 17.979 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -10.296 -54.498 18.257 1.00 0.00 N ATOM 0 H ARG A 77 -7.509 -51.499 13.060 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.144 -51.421 12.232 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.789 -49.880 14.479 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.515 -50.149 14.342 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.847 -52.608 14.241 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.804 -51.740 15.763 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.370 -51.700 15.672 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.256 -52.819 14.328 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.728 -54.541 15.808 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.334 -51.402 17.376 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.078 -52.105 18.976 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.401 -55.435 17.867 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.116 -54.377 19.254 1.00 0.00 H new ATOM 1232 N ALA A 78 -8.558 -48.637 11.672 1.00 0.00 N ATOM 1233 CA ALA A 78 -8.652 -47.329 11.036 1.00 0.00 C ATOM 1234 C ALA A 78 -9.200 -47.446 9.617 1.00 0.00 C ATOM 1235 O ALA A 78 -10.189 -46.802 9.268 1.00 0.00 O ATOM 1236 CB ALA A 78 -7.291 -46.649 11.023 1.00 0.00 C ATOM 0 H ALA A 78 -7.607 -48.931 11.894 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.345 -46.720 11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.376 -45.673 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.938 -46.522 12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.582 -47.264 10.468 1.00 0.00 H new ATOM 1242 N ALA A 79 -8.550 -48.272 8.804 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.973 -48.475 7.424 1.00 0.00 C ATOM 1244 C ALA A 79 -10.349 -49.129 7.362 1.00 0.00 C ATOM 1245 O ALA A 79 -11.153 -48.825 6.481 1.00 0.00 O ATOM 1246 CB ALA A 79 -7.951 -49.319 6.677 1.00 0.00 C ATOM 0 H ALA A 79 -7.729 -48.811 9.077 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.042 -47.499 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.280 -49.462 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.986 -48.811 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.853 -50.289 7.165 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.614 -50.030 8.303 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.894 -50.726 8.356 1.00 0.00 C ATOM 1254 C ALA A 80 -13.022 -49.773 8.735 1.00 0.00 C ATOM 1255 O ALA A 80 -14.056 -49.726 8.069 1.00 0.00 O ATOM 1256 CB ALA A 80 -11.825 -51.883 9.341 1.00 0.00 C ATOM 0 H ALA A 80 -9.959 -50.295 9.039 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.106 -51.121 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.788 -52.394 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.052 -52.584 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.586 -51.502 10.334 1.00 0.00 H new ATOM 1262 N GLN A 81 -12.816 -49.016 9.808 1.00 0.00 N ATOM 1263 CA GLN A 81 -13.818 -48.065 10.275 1.00 0.00 C ATOM 1264 C GLN A 81 -14.150 -47.047 9.190 1.00 0.00 C ATOM 1265 O GLN A 81 -15.319 -46.763 8.928 1.00 0.00 O ATOM 1266 CB GLN A 81 -13.322 -47.346 11.531 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.530 -48.142 12.810 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.881 -49.593 12.543 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -15.046 -49.934 12.338 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -12.872 -50.456 12.546 1.00 0.00 N ATOM 0 H GLN A 81 -11.965 -49.043 10.370 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.725 -48.620 10.516 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.260 -47.126 11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.838 -46.390 11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.623 -48.096 13.413 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.326 -47.681 13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.922 -50.129 12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.047 -51.446 12.374 1.00 0.00 H new ATOM 1279 N ILE A 82 -13.115 -46.500 8.561 1.00 0.00 N ATOM 1280 CA ILE A 82 -13.297 -45.514 7.504 1.00 0.00 C ATOM 1281 C ILE A 82 -13.897 -46.151 6.255 1.00 0.00 C ATOM 1282 O ILE A 82 -14.650 -45.512 5.520 1.00 0.00 O ATOM 1283 CB ILE A 82 -11.966 -44.835 7.130 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -12.221 -43.619 6.238 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -11.043 -45.825 6.435 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -12.122 -42.300 6.971 1.00 0.00 C ATOM 0 H ILE A 82 -12.141 -46.724 8.766 1.00 0.00 H new ATOM 0 HA ILE A 82 -13.983 -44.761 7.891 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.479 -44.495 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.504 -43.624 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.213 -43.705 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -10.107 -45.330 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.839 -46.662 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.521 -46.193 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -12.314 -41.482 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.858 -42.274 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.122 -42.191 7.391 1.00 0.00 H new ATOM 1298 N ALA A 83 -13.561 -47.416 6.022 1.00 0.00 N ATOM 1299 CA ALA A 83 -14.069 -48.141 4.865 1.00 0.00 C ATOM 1300 C ALA A 83 -15.557 -48.441 5.015 1.00 0.00 C ATOM 1301 O ALA A 83 -16.355 -48.122 4.134 1.00 0.00 O ATOM 1302 CB ALA A 83 -13.287 -49.431 4.665 1.00 0.00 C ATOM 0 H ALA A 83 -12.939 -47.960 6.620 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.939 -47.510 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.677 -49.962 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.235 -49.197 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.388 -50.059 5.550 1.00 0.00 H new ATOM 1308 N GLN A 84 -15.922 -49.055 6.136 1.00 0.00 N ATOM 1309 CA GLN A 84 -17.314 -49.399 6.400 1.00 0.00 C ATOM 1310 C GLN A 84 -18.164 -48.142 6.560 1.00 0.00 C ATOM 1311 O GLN A 84 -19.331 -48.116 6.170 1.00 0.00 O ATOM 1312 CB GLN A 84 -17.419 -50.263 7.657 1.00 0.00 C ATOM 1313 CG GLN A 84 -18.848 -50.485 8.126 1.00 0.00 C ATOM 1314 CD GLN A 84 -19.650 -51.344 7.168 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -19.913 -52.516 7.438 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -20.044 -50.763 6.040 1.00 0.00 N ATOM 0 H GLN A 84 -15.273 -49.324 6.876 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.690 -49.964 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.955 -51.230 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -16.851 -49.792 8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.835 -50.958 9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.342 -49.520 8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -19.804 -49.789 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.587 -51.291 5.357 1.00 0.00 H new ATOM 1325 N ALA A 85 -17.570 -47.102 7.136 1.00 0.00 N ATOM 1326 CA ALA A 85 -18.272 -45.842 7.347 1.00 0.00 C ATOM 1327 C ALA A 85 -18.536 -45.133 6.023 1.00 0.00 C ATOM 1328 O ALA A 85 -19.610 -44.567 5.814 1.00 0.00 O ATOM 1329 CB ALA A 85 -17.474 -44.943 8.279 1.00 0.00 C ATOM 0 H ALA A 85 -16.604 -47.107 7.465 1.00 0.00 H new ATOM 0 HA ALA A 85 -19.234 -46.063 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.010 -44.006 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -17.341 -45.441 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -16.498 -44.737 7.839 1.00 0.00 H new ATOM 1335 N LEU A 86 -17.552 -45.167 5.132 1.00 0.00 N ATOM 1336 CA LEU A 86 -17.678 -44.527 3.827 1.00 0.00 C ATOM 1337 C LEU A 86 -18.647 -45.295 2.935 1.00 0.00 C ATOM 1338 O LEU A 86 -19.410 -44.701 2.173 1.00 0.00 O ATOM 1339 CB LEU A 86 -16.310 -44.431 3.150 1.00 0.00 C ATOM 1340 CG LEU A 86 -16.220 -43.492 1.947 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -15.253 -42.353 2.230 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -15.796 -44.257 0.702 1.00 0.00 C ATOM 0 H LEU A 86 -16.657 -45.631 5.289 1.00 0.00 H new ATOM 0 HA LEU A 86 -18.072 -43.522 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -15.581 -44.107 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -16.015 -45.430 2.828 1.00 0.00 H new ATOM 0 HG LEU A 86 -17.208 -43.067 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.202 -41.695 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -15.600 -41.787 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.263 -42.759 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.738 -43.572 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.819 -44.711 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -16.527 -45.037 0.487 1.00 0.00 H new ATOM 1354 N LEU A 87 -18.614 -46.619 3.037 1.00 0.00 N ATOM 1355 CA LEU A 87 -19.491 -47.470 2.241 1.00 0.00 C ATOM 1356 C LEU A 87 -20.957 -47.133 2.498 1.00 0.00 C ATOM 1357 O LEU A 87 -21.805 -47.297 1.622 1.00 0.00 O ATOM 1358 CB LEU A 87 -19.232 -48.944 2.559 1.00 0.00 C ATOM 1359 CG LEU A 87 -19.988 -49.959 1.701 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -19.082 -51.123 1.329 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -21.227 -50.457 2.431 1.00 0.00 C ATOM 0 H LEU A 87 -17.989 -47.127 3.663 1.00 0.00 H new ATOM 0 HA LEU A 87 -19.274 -47.288 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -18.164 -49.135 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -19.488 -49.120 3.604 1.00 0.00 H new ATOM 0 HG LEU A 87 -20.306 -49.465 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -19.637 -51.835 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -18.226 -50.752 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.733 -51.617 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -21.753 -51.178 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -20.932 -50.934 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -21.886 -49.615 2.646 1.00 0.00 H new ATOM 1373 N GLY A 88 -21.246 -46.659 3.706 1.00 0.00 N ATOM 1374 CA GLY A 88 -22.609 -46.304 4.056 1.00 0.00 C ATOM 1375 C GLY A 88 -22.826 -44.804 4.096 1.00 0.00 C ATOM 1376 O GLY A 88 -23.963 -44.335 4.109 1.00 0.00 O ATOM 0 H GLY A 88 -20.561 -46.515 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -23.294 -46.748 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -22.853 -46.729 5.029 1.00 0.00 H new ATOM 1380 N ALA A 89 -21.731 -44.050 4.117 1.00 0.00 N ATOM 1381 CA ALA A 89 -21.807 -42.595 4.155 1.00 0.00 C ATOM 1382 C ALA A 89 -22.670 -42.121 5.319 1.00 0.00 C ATOM 1383 O ALA A 89 -23.475 -41.202 5.172 1.00 0.00 O ATOM 1384 CB ALA A 89 -22.352 -42.060 2.839 1.00 0.00 C ATOM 0 H ALA A 89 -20.782 -44.423 4.108 1.00 0.00 H new ATOM 0 HA ALA A 89 -20.799 -42.207 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -22.403 -40.972 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -21.694 -42.360 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.350 -42.464 2.667 1.00 0.00 H new ATOM 1390 N GLU A 90 -22.497 -42.755 6.475 1.00 0.00 N ATOM 1391 CA GLU A 90 -23.263 -42.397 7.663 1.00 0.00 C ATOM 1392 C GLU A 90 -22.385 -41.671 8.678 1.00 0.00 C ATOM 1393 O GLU A 90 -21.162 -41.806 8.665 1.00 0.00 O ATOM 1394 CB GLU A 90 -23.870 -43.648 8.302 1.00 0.00 C ATOM 1395 CG GLU A 90 -24.698 -43.358 9.542 1.00 0.00 C ATOM 1396 CD GLU A 90 -25.349 -44.603 10.113 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -24.614 -45.539 10.488 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -26.596 -44.639 10.185 1.00 0.00 O ATOM 0 H GLU A 90 -21.834 -43.518 6.614 1.00 0.00 H new ATOM 0 HA GLU A 90 -24.066 -41.727 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -24.497 -44.153 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.067 -44.337 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -24.061 -42.905 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -25.470 -42.629 9.296 1.00 0.00 H new ATOM 1405 N GLU A 91 -23.019 -40.899 9.556 1.00 0.00 N ATOM 1406 CA GLU A 91 -22.295 -40.150 10.576 1.00 0.00 C ATOM 1407 C GLU A 91 -21.453 -41.083 11.442 1.00 0.00 C ATOM 1408 O GLU A 91 -21.974 -41.764 12.326 1.00 0.00 O ATOM 1409 CB GLU A 91 -23.272 -39.365 11.453 1.00 0.00 C ATOM 1410 CG GLU A 91 -24.358 -40.226 12.076 1.00 0.00 C ATOM 1411 CD GLU A 91 -25.746 -39.651 11.875 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -26.252 -39.704 10.734 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -26.328 -39.147 12.859 1.00 0.00 O ATOM 0 H GLU A 91 -24.031 -40.776 9.581 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.628 -39.451 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -22.715 -38.867 12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -23.739 -38.584 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -24.317 -41.226 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -24.164 -40.333 13.143 1.00 0.00 H new ATOM 1420 N ARG A 92 -20.151 -41.109 11.181 1.00 0.00 N ATOM 1421 CA ARG A 92 -19.237 -41.959 11.934 1.00 0.00 C ATOM 1422 C ARG A 92 -17.824 -41.384 11.921 1.00 0.00 C ATOM 1423 O ARG A 92 -17.372 -40.841 10.913 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.228 -43.375 11.354 1.00 0.00 C ATOM 1425 CG ARG A 92 -18.058 -44.220 11.828 1.00 0.00 C ATOM 1426 CD ARG A 92 -18.099 -44.434 13.333 1.00 0.00 C ATOM 1427 NE ARG A 92 -17.948 -45.842 13.691 1.00 0.00 N ATOM 1428 CZ ARG A 92 -18.077 -46.304 14.929 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -18.358 -45.473 15.924 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -17.925 -47.599 15.175 1.00 0.00 N ATOM 0 H ARG A 92 -19.705 -40.551 10.453 1.00 0.00 H new ATOM 0 HA ARG A 92 -19.585 -41.999 12.966 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.159 -43.875 11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.203 -43.313 10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -18.076 -45.185 11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.122 -43.734 11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.305 -43.853 13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.044 -44.059 13.727 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.731 -46.507 12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -18.475 -44.477 15.739 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -18.457 -45.830 16.874 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.709 -48.241 14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.024 -47.952 16.127 1.00 0.00 H new ATOM 1444 N LYS A 93 -17.130 -41.507 13.048 1.00 0.00 N ATOM 1445 CA LYS A 93 -15.768 -41.001 13.168 1.00 0.00 C ATOM 1446 C LYS A 93 -14.779 -42.144 13.373 1.00 0.00 C ATOM 1447 O LYS A 93 -15.114 -43.168 13.969 1.00 0.00 O ATOM 1448 CB LYS A 93 -15.670 -40.012 14.332 1.00 0.00 C ATOM 1449 CG LYS A 93 -15.468 -40.679 15.681 1.00 0.00 C ATOM 1450 CD LYS A 93 -15.721 -39.711 16.825 1.00 0.00 C ATOM 1451 CE LYS A 93 -16.672 -40.302 17.855 1.00 0.00 C ATOM 1452 NZ LYS A 93 -18.067 -40.382 17.341 1.00 0.00 N ATOM 0 H LYS A 93 -17.489 -41.953 13.892 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.515 -40.487 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.842 -39.327 14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.579 -39.412 14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.140 -41.533 15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.451 -41.065 15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.775 -39.457 17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.138 -38.784 16.433 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.330 -41.299 18.135 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.652 -39.693 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -18.695 -40.726 18.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.379 -39.438 17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.103 -41.037 16.534 1.00 0.00 H new ATOM 1466 N VAL A 94 -13.560 -41.962 12.877 1.00 0.00 N ATOM 1467 CA VAL A 94 -12.521 -42.977 13.009 1.00 0.00 C ATOM 1468 C VAL A 94 -11.159 -42.340 13.259 1.00 0.00 C ATOM 1469 O VAL A 94 -10.801 -41.348 12.625 1.00 0.00 O ATOM 1470 CB VAL A 94 -12.439 -43.861 11.751 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -12.352 -43.002 10.498 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -11.250 -44.807 11.842 1.00 0.00 C ATOM 0 H VAL A 94 -13.267 -41.121 12.380 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.790 -43.597 13.864 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.348 -44.460 11.689 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.295 -43.645 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.237 -42.370 10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.462 -42.375 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.207 -45.425 10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.330 -44.228 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.360 -45.447 12.718 1.00 0.00 H new ATOM 1482 N GLU A 95 -10.403 -42.918 14.188 1.00 0.00 N ATOM 1483 CA GLU A 95 -9.080 -42.406 14.522 1.00 0.00 C ATOM 1484 C GLU A 95 -7.994 -43.174 13.774 1.00 0.00 C ATOM 1485 O GLU A 95 -7.846 -44.384 13.944 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.838 -42.499 16.030 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.249 -41.235 16.632 1.00 0.00 C ATOM 1488 CD GLU A 95 -7.559 -41.487 17.959 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -7.946 -42.447 18.656 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -6.631 -40.723 18.298 1.00 0.00 O ATOM 0 H GLU A 95 -10.685 -43.740 14.722 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.037 -41.360 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.782 -42.722 16.528 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.166 -43.334 16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.534 -40.802 15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.042 -40.501 16.773 1.00 0.00 H new ATOM 1497 N ILE A 96 -7.239 -42.461 12.944 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.167 -43.075 12.170 1.00 0.00 C ATOM 1499 C ILE A 96 -4.872 -42.280 12.298 1.00 0.00 C ATOM 1500 O ILE A 96 -4.887 -41.103 12.657 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.542 -43.188 10.681 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -7.993 -43.650 10.531 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.599 -44.147 9.969 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -8.935 -42.552 10.091 1.00 0.00 C ATOM 0 H ILE A 96 -7.350 -41.459 12.791 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.018 -44.076 12.576 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.445 -42.204 10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.033 -44.464 9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.338 -44.053 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.877 -44.217 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.576 -43.779 10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.668 -45.133 10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.945 -42.952 10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.924 -41.747 10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.615 -42.164 9.124 1.00 0.00 H new ATOM 1516 N ALA A 97 -3.753 -42.931 12.000 1.00 0.00 N ATOM 1517 CA ALA A 97 -2.449 -42.284 12.078 1.00 0.00 C ATOM 1518 C ALA A 97 -2.022 -41.744 10.717 1.00 0.00 C ATOM 1519 O ALA A 97 -1.615 -42.501 9.837 1.00 0.00 O ATOM 1520 CB ALA A 97 -1.408 -43.257 12.611 1.00 0.00 C ATOM 0 H ALA A 97 -3.723 -43.906 11.702 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.529 -41.442 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.439 -42.760 12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.699 -43.592 13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.339 -44.117 11.945 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.120 -40.429 10.551 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.746 -39.787 9.296 1.00 0.00 C ATOM 1528 C PHE A 98 -0.452 -38.993 9.456 1.00 0.00 C ATOM 1529 O PHE A 98 -0.070 -38.625 10.567 1.00 0.00 O ATOM 1530 CB PHE A 98 -2.868 -38.864 8.817 1.00 0.00 C ATOM 1531 CG PHE A 98 -4.159 -39.581 8.546 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -4.164 -40.926 8.215 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -5.369 -38.910 8.622 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -5.351 -41.590 7.965 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -6.559 -39.568 8.374 1.00 0.00 C ATOM 1536 CZ PHE A 98 -6.550 -40.909 8.044 1.00 0.00 C ATOM 0 H PHE A 98 -2.455 -39.787 11.270 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.584 -40.567 8.552 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.040 -38.094 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.546 -38.356 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.229 -41.463 8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.382 -37.861 8.878 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.340 -42.639 7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.495 -39.034 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.479 -41.424 7.848 1.00 0.00 H new ATOM 1546 N TYR A 99 0.217 -38.732 8.339 1.00 0.00 N ATOM 1547 CA TYR A 99 1.469 -37.985 8.354 1.00 0.00 C ATOM 1548 C TYR A 99 1.287 -36.605 7.730 1.00 0.00 C ATOM 1549 O TYR A 99 0.393 -36.395 6.910 1.00 0.00 O ATOM 1550 CB TYR A 99 2.556 -38.757 7.605 1.00 0.00 C ATOM 1551 CG TYR A 99 2.041 -39.517 6.403 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.765 -38.863 5.209 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.831 -40.889 6.463 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.293 -39.553 4.109 1.00 0.00 C ATOM 1555 CE2 TYR A 99 1.361 -41.587 5.367 1.00 0.00 C ATOM 1556 CZ TYR A 99 1.094 -40.915 4.193 1.00 0.00 C ATOM 1557 OH TYR A 99 0.624 -41.607 3.100 1.00 0.00 O ATOM 0 H TYR A 99 -0.087 -39.027 7.411 1.00 0.00 H new ATOM 0 HA TYR A 99 1.774 -37.856 9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.327 -38.059 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.030 -39.458 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.922 -37.797 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.038 -41.419 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.081 -39.029 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.204 -42.654 5.430 1.00 0.00 H new ATOM 0 HH TYR A 99 0.150 -40.992 2.502 1.00 0.00 H new ATOM 1567 N ARG A 100 2.142 -35.667 8.124 1.00 0.00 N ATOM 1568 CA ARG A 100 2.077 -34.307 7.604 1.00 0.00 C ATOM 1569 C ARG A 100 3.233 -34.035 6.646 1.00 0.00 C ATOM 1570 O ARG A 100 4.040 -34.920 6.362 1.00 0.00 O ATOM 1571 CB ARG A 100 2.105 -33.298 8.754 1.00 0.00 C ATOM 1572 CG ARG A 100 0.727 -32.947 9.291 1.00 0.00 C ATOM 1573 CD ARG A 100 0.479 -31.447 9.252 1.00 0.00 C ATOM 1574 NE ARG A 100 -0.191 -30.972 10.460 1.00 0.00 N ATOM 1575 CZ ARG A 100 0.412 -30.857 11.638 1.00 0.00 C ATOM 1576 NH1 ARG A 100 1.692 -31.180 11.766 1.00 0.00 N ATOM 1577 NH2 ARG A 100 -0.265 -30.417 12.691 1.00 0.00 N ATOM 0 H ARG A 100 2.888 -35.824 8.802 1.00 0.00 H new ATOM 0 HA ARG A 100 1.141 -34.198 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.710 -33.702 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.596 -32.386 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.035 -33.458 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.632 -33.306 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.429 -30.925 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.128 -31.202 8.380 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.176 -30.715 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.216 -31.518 10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.152 -31.091 12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.249 -30.167 12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.199 -30.329 13.595 1.00 0.00 H new ATOM 1591 N LYS A 101 3.305 -32.805 6.149 1.00 0.00 N ATOM 1592 CA LYS A 101 4.361 -32.414 5.222 1.00 0.00 C ATOM 1593 C LYS A 101 5.737 -32.669 5.828 1.00 0.00 C ATOM 1594 O LYS A 101 6.695 -32.965 5.113 1.00 0.00 O ATOM 1595 CB LYS A 101 4.221 -30.936 4.851 1.00 0.00 C ATOM 1596 CG LYS A 101 2.781 -30.486 4.676 1.00 0.00 C ATOM 1597 CD LYS A 101 2.685 -29.258 3.786 1.00 0.00 C ATOM 1598 CE LYS A 101 2.993 -27.985 4.558 1.00 0.00 C ATOM 1599 NZ LYS A 101 4.421 -27.584 4.421 1.00 0.00 N ATOM 0 H LYS A 101 2.644 -32.061 6.373 1.00 0.00 H new ATOM 0 HA LYS A 101 4.262 -33.019 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.691 -30.330 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.766 -30.749 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.195 -31.297 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.347 -30.265 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.380 -29.356 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.684 -29.193 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.353 -27.179 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.757 -28.133 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.590 -26.712 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.031 -28.342 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.640 -27.417 3.418 1.00 0.00 H new ATOM 1613 N ASP A 102 5.828 -32.554 7.148 1.00 0.00 N ATOM 1614 CA ASP A 102 7.088 -32.776 7.850 1.00 0.00 C ATOM 1615 C ASP A 102 7.557 -34.217 7.683 1.00 0.00 C ATOM 1616 O ASP A 102 8.712 -34.541 7.957 1.00 0.00 O ATOM 1617 CB ASP A 102 6.933 -32.445 9.335 1.00 0.00 C ATOM 1618 CG ASP A 102 8.255 -32.102 9.993 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.298 -32.197 9.312 1.00 0.00 O ATOM 1620 OD2 ASP A 102 8.248 -31.740 11.188 1.00 0.00 O ATOM 0 H ASP A 102 5.045 -32.308 7.754 1.00 0.00 H new ATOM 0 HA ASP A 102 7.839 -32.117 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.246 -31.606 9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.485 -33.295 9.849 1.00 0.00 H new ATOM 1625 N GLY A 103 6.652 -35.081 7.232 1.00 0.00 N ATOM 1626 CA GLY A 103 6.992 -36.478 7.037 1.00 0.00 C ATOM 1627 C GLY A 103 6.660 -37.329 8.247 1.00 0.00 C ATOM 1628 O GLY A 103 6.520 -38.548 8.138 1.00 0.00 O ATOM 0 H GLY A 103 5.689 -34.838 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.456 -36.862 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.056 -36.563 6.818 1.00 0.00 H new ATOM 1632 N SER A 104 6.534 -36.687 9.404 1.00 0.00 N ATOM 1633 CA SER A 104 6.222 -37.394 10.641 1.00 0.00 C ATOM 1634 C SER A 104 4.784 -37.906 10.626 1.00 0.00 C ATOM 1635 O SER A 104 3.955 -37.436 9.846 1.00 0.00 O ATOM 1636 CB SER A 104 6.436 -36.477 11.846 1.00 0.00 C ATOM 1637 OG SER A 104 6.675 -35.142 11.434 1.00 0.00 O ATOM 0 H SER A 104 6.643 -35.678 9.511 1.00 0.00 H new ATOM 0 HA SER A 104 6.893 -38.249 10.721 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.559 -36.510 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.280 -36.836 12.435 1.00 0.00 H new ATOM 0 HG SER A 104 6.807 -34.575 12.222 1.00 0.00 H new ATOM 1643 N CYS A 105 4.497 -38.870 11.493 1.00 0.00 N ATOM 1644 CA CYS A 105 3.161 -39.447 11.580 1.00 0.00 C ATOM 1645 C CYS A 105 2.539 -39.175 12.946 1.00 0.00 C ATOM 1646 O CYS A 105 3.228 -39.186 13.967 1.00 0.00 O ATOM 1647 CB CYS A 105 3.215 -40.954 11.322 1.00 0.00 C ATOM 1648 SG CYS A 105 4.088 -41.890 12.599 1.00 0.00 S ATOM 0 H CYS A 105 5.172 -39.269 12.146 1.00 0.00 H new ATOM 0 HA CYS A 105 2.539 -38.977 10.818 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.197 -41.334 11.240 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.700 -41.130 10.362 1.00 0.00 H new ATOM 0 HG CYS A 105 4.118 -41.199 13.700 1.00 0.00 H new ATOM 1654 N PHE A 106 1.233 -38.929 12.958 1.00 0.00 N ATOM 1655 CA PHE A 106 0.519 -38.651 14.199 1.00 0.00 C ATOM 1656 C PHE A 106 -0.919 -39.158 14.124 1.00 0.00 C ATOM 1657 O PHE A 106 -1.413 -39.500 13.049 1.00 0.00 O ATOM 1658 CB PHE A 106 0.528 -37.149 14.491 1.00 0.00 C ATOM 1659 CG PHE A 106 1.407 -36.363 13.562 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.993 -36.078 12.270 1.00 0.00 C ATOM 1661 CD2 PHE A 106 2.647 -35.907 13.979 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.799 -35.354 11.412 1.00 0.00 C ATOM 1663 CE2 PHE A 106 3.457 -35.183 13.126 1.00 0.00 C ATOM 1664 CZ PHE A 106 3.033 -34.907 11.841 1.00 0.00 C ATOM 0 H PHE A 106 0.648 -38.916 12.123 1.00 0.00 H new ATOM 0 HA PHE A 106 1.028 -39.175 15.008 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.491 -36.768 14.424 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.861 -36.988 15.516 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.029 -36.426 11.930 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.984 -36.120 14.983 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.464 -35.138 10.408 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.421 -34.833 13.464 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.666 -34.342 11.172 1.00 0.00 H new ATOM 1674 N LEU A 107 -1.584 -39.203 15.273 1.00 0.00 N ATOM 1675 CA LEU A 107 -2.965 -39.669 15.339 1.00 0.00 C ATOM 1676 C LEU A 107 -3.938 -38.528 15.057 1.00 0.00 C ATOM 1677 O LEU A 107 -3.869 -37.471 15.684 1.00 0.00 O ATOM 1678 CB LEU A 107 -3.254 -40.273 16.714 1.00 0.00 C ATOM 1679 CG LEU A 107 -3.417 -41.793 16.758 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -4.648 -42.222 15.976 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -2.171 -42.478 16.215 1.00 0.00 C ATOM 0 H LEU A 107 -1.190 -38.923 16.171 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.102 -40.436 14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.444 -39.995 17.389 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.165 -39.818 17.104 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.550 -42.095 17.797 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.747 -43.307 16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.534 -41.759 16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.547 -41.908 14.937 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.304 -43.559 16.254 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.007 -42.169 15.183 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.309 -42.197 16.819 1.00 0.00 H new ATOM 1693 N CYS A 108 -4.845 -38.751 14.112 1.00 0.00 N ATOM 1694 CA CYS A 108 -5.833 -37.743 13.748 1.00 0.00 C ATOM 1695 C CYS A 108 -7.215 -38.369 13.588 1.00 0.00 C ATOM 1696 O CYS A 108 -7.349 -39.484 13.083 1.00 0.00 O ATOM 1697 CB CYS A 108 -5.424 -37.042 12.451 1.00 0.00 C ATOM 1698 SG CYS A 108 -6.152 -35.401 12.237 1.00 0.00 S ATOM 0 H CYS A 108 -4.916 -39.621 13.584 1.00 0.00 H new ATOM 0 HA CYS A 108 -5.878 -37.007 14.551 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -4.338 -36.952 12.426 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.711 -37.668 11.606 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.745 -34.889 11.113 1.00 0.00 H new ATOM 1704 N LEU A 109 -8.240 -37.645 14.023 1.00 0.00 N ATOM 1705 CA LEU A 109 -9.613 -38.129 13.930 1.00 0.00 C ATOM 1706 C LEU A 109 -10.206 -37.825 12.558 1.00 0.00 C ATOM 1707 O LEU A 109 -9.864 -36.823 11.930 1.00 0.00 O ATOM 1708 CB LEU A 109 -10.474 -37.494 15.023 1.00 0.00 C ATOM 1709 CG LEU A 109 -11.982 -37.483 14.769 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -12.746 -37.498 16.084 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -12.374 -36.272 13.935 1.00 0.00 C ATOM 0 H LEU A 109 -8.147 -36.721 14.444 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.601 -39.210 14.068 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.287 -38.023 15.958 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.143 -36.466 15.167 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.243 -38.382 14.212 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -13.817 -37.490 15.883 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.489 -38.397 16.644 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.480 -36.618 16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.451 -36.281 13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.098 -35.360 14.465 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.854 -36.306 12.977 1.00 0.00 H new ATOM 1723 N VAL A 110 -11.100 -38.696 12.099 1.00 0.00 N ATOM 1724 CA VAL A 110 -11.744 -38.519 10.803 1.00 0.00 C ATOM 1725 C VAL A 110 -13.250 -38.733 10.904 1.00 0.00 C ATOM 1726 O VAL A 110 -13.720 -39.865 11.016 1.00 0.00 O ATOM 1727 CB VAL A 110 -11.167 -39.488 9.754 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -11.677 -39.135 8.365 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -9.647 -39.472 9.792 1.00 0.00 C ATOM 0 H VAL A 110 -11.394 -39.531 12.606 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.547 -37.494 10.488 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.502 -40.497 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.259 -39.830 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.765 -39.203 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.373 -38.119 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.257 -40.163 9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.288 -38.465 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.305 -39.777 10.781 1.00 0.00 H new ATOM 1739 N ASP A 111 -14.001 -37.639 10.862 1.00 0.00 N ATOM 1740 CA ASP A 111 -15.456 -37.706 10.947 1.00 0.00 C ATOM 1741 C ASP A 111 -16.089 -37.531 9.570 1.00 0.00 C ATOM 1742 O ASP A 111 -15.711 -36.639 8.810 1.00 0.00 O ATOM 1743 CB ASP A 111 -15.982 -36.636 11.905 1.00 0.00 C ATOM 1744 CG ASP A 111 -17.463 -36.792 12.190 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -17.810 -37.514 13.148 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -18.275 -36.192 11.455 1.00 0.00 O ATOM 0 H ASP A 111 -13.627 -36.695 10.770 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.729 -38.690 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.427 -36.687 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.799 -35.649 11.479 1.00 0.00 H new ATOM 1751 N VAL A 112 -17.055 -38.388 9.255 1.00 0.00 N ATOM 1752 CA VAL A 112 -17.741 -38.328 7.970 1.00 0.00 C ATOM 1753 C VAL A 112 -19.254 -38.318 8.155 1.00 0.00 C ATOM 1754 O VAL A 112 -19.814 -39.186 8.825 1.00 0.00 O ATOM 1755 CB VAL A 112 -17.352 -39.516 7.071 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -18.026 -39.400 5.712 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -15.841 -39.598 6.920 1.00 0.00 C ATOM 0 H VAL A 112 -17.380 -39.132 9.872 1.00 0.00 H new ATOM 0 HA VAL A 112 -17.431 -37.401 7.488 1.00 0.00 H new ATOM 0 HB VAL A 112 -17.697 -40.435 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.739 -40.248 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -19.108 -39.394 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -17.714 -38.474 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.584 -40.443 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.470 -38.677 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -15.384 -39.732 7.900 1.00 0.00 H new ATOM 1767 N VAL A 113 -19.912 -37.330 7.556 1.00 0.00 N ATOM 1768 CA VAL A 113 -21.361 -37.208 7.652 1.00 0.00 C ATOM 1769 C VAL A 113 -21.964 -36.752 6.328 1.00 0.00 C ATOM 1770 O VAL A 113 -21.478 -35.821 5.685 1.00 0.00 O ATOM 1771 CB VAL A 113 -21.768 -36.215 8.758 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -23.283 -36.118 8.857 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -21.163 -36.627 10.092 1.00 0.00 C ATOM 0 H VAL A 113 -19.464 -36.603 6.999 1.00 0.00 H new ATOM 0 HA VAL A 113 -21.746 -38.197 7.901 1.00 0.00 H new ATOM 0 HB VAL A 113 -21.381 -35.230 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -23.552 -35.412 9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -23.688 -35.773 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -23.696 -37.099 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -21.460 -35.915 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -21.518 -37.622 10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -20.076 -36.640 10.010 1.00 0.00 H new ATOM 1783 N PRO A 114 -23.048 -37.422 5.910 1.00 0.00 N ATOM 1784 CA PRO A 114 -23.742 -37.102 4.659 1.00 0.00 C ATOM 1785 C PRO A 114 -24.472 -35.765 4.726 1.00 0.00 C ATOM 1786 O PRO A 114 -24.835 -35.299 5.805 1.00 0.00 O ATOM 1787 CB PRO A 114 -24.741 -38.251 4.504 1.00 0.00 C ATOM 1788 CG PRO A 114 -24.978 -38.736 5.892 1.00 0.00 C ATOM 1789 CD PRO A 114 -23.680 -38.542 6.626 1.00 0.00 C ATOM 0 HA PRO A 114 -23.050 -37.005 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.667 -37.911 4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -24.339 -39.042 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -25.783 -38.177 6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -25.274 -39.785 5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -23.844 -38.305 7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -23.062 -39.439 6.594 1.00 0.00 H new ATOM 1797 N VAL A 115 -24.686 -35.154 3.565 1.00 0.00 N ATOM 1798 CA VAL A 115 -25.375 -33.871 3.492 1.00 0.00 C ATOM 1799 C VAL A 115 -26.743 -34.019 2.837 1.00 0.00 C ATOM 1800 O VAL A 115 -26.862 -34.009 1.611 1.00 0.00 O ATOM 1801 CB VAL A 115 -24.550 -32.835 2.705 1.00 0.00 C ATOM 1802 CG1 VAL A 115 -25.136 -31.442 2.880 1.00 0.00 C ATOM 1803 CG2 VAL A 115 -23.094 -32.868 3.145 1.00 0.00 C ATOM 0 H VAL A 115 -24.392 -35.527 2.662 1.00 0.00 H new ATOM 0 HA VAL A 115 -25.502 -33.521 4.516 1.00 0.00 H new ATOM 0 HB VAL A 115 -24.592 -33.091 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -24.540 -30.723 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -26.162 -31.430 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -25.126 -31.173 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -22.526 -32.130 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -23.030 -32.637 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -22.681 -33.860 2.964 1.00 0.00 H new ATOM 1813 N LYS A 116 -27.776 -34.156 3.661 1.00 0.00 N ATOM 1814 CA LYS A 116 -29.139 -34.304 3.164 1.00 0.00 C ATOM 1815 C LYS A 116 -29.768 -32.942 2.887 1.00 0.00 C ATOM 1816 O LYS A 116 -29.194 -31.905 3.215 1.00 0.00 O ATOM 1817 CB LYS A 116 -29.991 -35.077 4.173 1.00 0.00 C ATOM 1818 CG LYS A 116 -29.470 -36.473 4.467 1.00 0.00 C ATOM 1819 CD LYS A 116 -30.231 -37.123 5.610 1.00 0.00 C ATOM 1820 CE LYS A 116 -29.859 -38.589 5.765 1.00 0.00 C ATOM 1821 NZ LYS A 116 -29.603 -38.950 7.187 1.00 0.00 N ATOM 0 H LYS A 116 -27.695 -34.168 4.678 1.00 0.00 H new ATOM 0 HA LYS A 116 -29.100 -34.863 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -30.038 -34.512 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -31.010 -35.151 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -29.557 -37.091 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -28.410 -36.422 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -30.018 -36.593 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -31.303 -37.035 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -30.663 -39.211 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -28.971 -38.803 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -29.353 -39.957 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -28.819 -38.375 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -30.459 -38.770 7.750 1.00 0.00 H new ATOM 1835 N ASN A 117 -30.952 -32.954 2.283 1.00 0.00 N ATOM 1836 CA ASN A 117 -31.660 -31.720 1.964 1.00 0.00 C ATOM 1837 C ASN A 117 -32.882 -31.546 2.861 1.00 0.00 C ATOM 1838 O ASN A 117 -33.082 -32.307 3.807 1.00 0.00 O ATOM 1839 CB ASN A 117 -32.087 -31.718 0.495 1.00 0.00 C ATOM 1840 CG ASN A 117 -31.004 -31.184 -0.422 1.00 0.00 C ATOM 1841 OD1 ASN A 117 -30.008 -30.624 0.037 1.00 0.00 O ATOM 1842 ND2 ASN A 117 -31.194 -31.356 -1.725 1.00 0.00 N ATOM 0 H ASN A 117 -31.441 -33.805 2.005 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.981 -30.885 2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -32.346 -32.733 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -32.986 -31.112 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -30.499 -31.018 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -32.035 -31.826 -2.060 1.00 0.00 H new ATOM 1849 N GLU A 118 -33.694 -30.539 2.557 1.00 0.00 N ATOM 1850 CA GLU A 118 -34.896 -30.265 3.336 1.00 0.00 C ATOM 1851 C GLU A 118 -35.821 -31.479 3.354 1.00 0.00 C ATOM 1852 O GLU A 118 -36.662 -31.618 4.242 1.00 0.00 O ATOM 1853 CB GLU A 118 -35.637 -29.055 2.764 1.00 0.00 C ATOM 1854 CG GLU A 118 -35.981 -28.004 3.806 1.00 0.00 C ATOM 1855 CD GLU A 118 -35.544 -26.611 3.396 1.00 0.00 C ATOM 1856 OE1 GLU A 118 -35.808 -26.224 2.238 1.00 0.00 O ATOM 1857 OE2 GLU A 118 -34.938 -25.908 4.232 1.00 0.00 O ATOM 0 H GLU A 118 -33.542 -29.899 1.777 1.00 0.00 H new ATOM 0 HA GLU A 118 -34.592 -30.045 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -35.024 -28.598 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -36.556 -29.395 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -37.057 -28.007 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -35.506 -28.266 4.751 1.00 0.00 H new ATOM 1864 N ASP A 119 -35.658 -32.354 2.368 1.00 0.00 N ATOM 1865 CA ASP A 119 -36.477 -33.557 2.270 1.00 0.00 C ATOM 1866 C ASP A 119 -35.758 -34.755 2.882 1.00 0.00 C ATOM 1867 O ASP A 119 -36.341 -35.826 3.042 1.00 0.00 O ATOM 1868 CB ASP A 119 -36.824 -33.846 0.809 1.00 0.00 C ATOM 1869 CG ASP A 119 -38.305 -33.698 0.525 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -38.752 -32.557 0.286 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -39.019 -34.723 0.543 1.00 0.00 O ATOM 0 H ASP A 119 -34.966 -32.253 1.625 1.00 0.00 H new ATOM 0 HA ASP A 119 -37.398 -33.386 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -36.264 -33.168 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -36.508 -34.858 0.557 1.00 0.00 H new ATOM 1876 N GLY A 120 -34.487 -34.566 3.222 1.00 0.00 N ATOM 1877 CA GLY A 120 -33.708 -35.640 3.811 1.00 0.00 C ATOM 1878 C GLY A 120 -33.015 -36.493 2.768 1.00 0.00 C ATOM 1879 O GLY A 120 -32.597 -37.615 3.052 1.00 0.00 O ATOM 0 H GLY A 120 -33.982 -33.688 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.962 -35.217 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -34.361 -36.270 4.415 1.00 0.00 H new ATOM 1883 N ALA A 121 -32.892 -35.960 1.556 1.00 0.00 N ATOM 1884 CA ALA A 121 -32.244 -36.680 0.467 1.00 0.00 C ATOM 1885 C ALA A 121 -30.740 -36.431 0.463 1.00 0.00 C ATOM 1886 O ALA A 121 -30.283 -35.329 0.159 1.00 0.00 O ATOM 1887 CB ALA A 121 -32.851 -36.276 -0.868 1.00 0.00 C ATOM 0 H ALA A 121 -33.233 -35.032 1.304 1.00 0.00 H new ATOM 0 HA ALA A 121 -32.409 -37.746 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -32.357 -36.822 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -33.915 -36.511 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -32.716 -35.205 -1.020 1.00 0.00 H new ATOM 1893 N VAL A 122 -29.973 -37.462 0.803 1.00 0.00 N ATOM 1894 CA VAL A 122 -28.519 -37.355 0.838 1.00 0.00 C ATOM 1895 C VAL A 122 -27.943 -37.232 -0.568 1.00 0.00 C ATOM 1896 O VAL A 122 -28.032 -38.163 -1.370 1.00 0.00 O ATOM 1897 CB VAL A 122 -27.883 -38.572 1.537 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -28.370 -39.866 0.903 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -26.365 -38.482 1.486 1.00 0.00 C ATOM 0 H VAL A 122 -30.334 -38.381 1.058 1.00 0.00 H new ATOM 0 HA VAL A 122 -28.282 -36.455 1.405 1.00 0.00 H new ATOM 0 HB VAL A 122 -28.189 -38.570 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -27.910 -40.715 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -29.454 -39.931 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -28.095 -39.880 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -25.932 -39.349 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -26.037 -38.459 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -26.037 -37.573 1.990 1.00 0.00 H new ATOM 1909 N ILE A 123 -27.353 -36.078 -0.860 1.00 0.00 N ATOM 1910 CA ILE A 123 -26.760 -35.834 -2.170 1.00 0.00 C ATOM 1911 C ILE A 123 -25.248 -36.029 -2.134 1.00 0.00 C ATOM 1912 O ILE A 123 -24.693 -36.798 -2.918 1.00 0.00 O ATOM 1913 CB ILE A 123 -27.072 -34.412 -2.672 1.00 0.00 C ATOM 1914 CG1 ILE A 123 -28.553 -34.089 -2.468 1.00 0.00 C ATOM 1915 CG2 ILE A 123 -26.691 -34.273 -4.139 1.00 0.00 C ATOM 1916 CD1 ILE A 123 -28.820 -33.210 -1.266 1.00 0.00 C ATOM 0 H ILE A 123 -27.273 -35.298 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 123 -27.200 -36.558 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 123 -26.482 -33.701 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -28.935 -33.595 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -29.108 -35.021 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -26.917 -33.263 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -25.625 -34.466 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -27.258 -34.991 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -29.890 -33.022 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -28.469 -33.711 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -28.293 -32.263 -1.384 1.00 0.00 H new ATOM 1928 N MET A 124 -24.588 -35.328 -1.218 1.00 0.00 N ATOM 1929 CA MET A 124 -23.140 -35.426 -1.078 1.00 0.00 C ATOM 1930 C MET A 124 -22.757 -35.815 0.346 1.00 0.00 C ATOM 1931 O MET A 124 -23.622 -36.049 1.191 1.00 0.00 O ATOM 1932 CB MET A 124 -22.479 -34.098 -1.452 1.00 0.00 C ATOM 1933 CG MET A 124 -23.075 -32.899 -0.733 1.00 0.00 C ATOM 1934 SD MET A 124 -22.134 -31.386 -1.009 1.00 0.00 S ATOM 1935 CE MET A 124 -23.243 -30.165 -0.311 1.00 0.00 C ATOM 0 H MET A 124 -25.033 -34.686 -0.562 1.00 0.00 H new ATOM 0 HA MET A 124 -22.786 -36.203 -1.756 1.00 0.00 H new ATOM 0 HB2 MET A 124 -21.414 -34.155 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 124 -22.568 -33.947 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 124 -24.101 -32.751 -1.070 1.00 0.00 H new ATOM 0 HG3 MET A 124 -23.118 -33.106 0.336 1.00 0.00 H new ATOM 0 HE1 MET A 124 -23.140 -29.227 -0.856 1.00 0.00 H new ATOM 0 HE2 MET A 124 -24.271 -30.520 -0.390 1.00 0.00 H new ATOM 0 HE3 MET A 124 -22.994 -30.005 0.738 1.00 0.00 H new ATOM 1945 N PHE A 125 -21.455 -35.883 0.607 1.00 0.00 N ATOM 1946 CA PHE A 125 -20.958 -36.245 1.929 1.00 0.00 C ATOM 1947 C PHE A 125 -19.815 -35.326 2.350 1.00 0.00 C ATOM 1948 O PHE A 125 -18.940 -34.999 1.548 1.00 0.00 O ATOM 1949 CB PHE A 125 -20.487 -37.701 1.939 1.00 0.00 C ATOM 1950 CG PHE A 125 -20.931 -38.483 0.735 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -22.263 -38.827 0.569 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -20.016 -38.874 -0.229 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -22.675 -39.546 -0.538 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -20.422 -39.593 -1.337 1.00 0.00 C ATOM 1955 CZ PHE A 125 -21.753 -39.930 -1.491 1.00 0.00 C ATOM 0 H PHE A 125 -20.726 -35.692 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 125 -21.775 -36.130 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -19.399 -37.722 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -20.862 -38.190 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -22.988 -38.530 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -18.974 -38.614 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -23.716 -39.807 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -19.699 -39.891 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 125 -22.072 -40.493 -2.356 1.00 0.00 H new ATOM 1965 N ILE A 126 -19.831 -34.914 3.613 1.00 0.00 N ATOM 1966 CA ILE A 126 -18.797 -34.033 4.142 1.00 0.00 C ATOM 1967 C ILE A 126 -17.962 -34.741 5.204 1.00 0.00 C ATOM 1968 O ILE A 126 -18.483 -35.524 5.999 1.00 0.00 O ATOM 1969 CB ILE A 126 -19.403 -32.754 4.749 1.00 0.00 C ATOM 1970 CG1 ILE A 126 -18.329 -31.960 5.495 1.00 0.00 C ATOM 1971 CG2 ILE A 126 -20.553 -33.104 5.681 1.00 0.00 C ATOM 1972 CD1 ILE A 126 -18.594 -30.471 5.531 1.00 0.00 C ATOM 0 H ILE A 126 -20.548 -35.176 4.289 1.00 0.00 H new ATOM 0 HA ILE A 126 -18.157 -33.759 3.303 1.00 0.00 H new ATOM 0 HB ILE A 126 -19.791 -32.134 3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -18.257 -32.333 6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -17.363 -32.138 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -20.971 -32.190 6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -21.326 -33.633 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -20.188 -33.741 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -17.792 -29.972 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -18.637 -30.084 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -19.544 -30.283 6.031 1.00 0.00 H new ATOM 1984 N LEU A 127 -16.664 -34.460 5.212 1.00 0.00 N ATOM 1985 CA LEU A 127 -15.755 -35.068 6.178 1.00 0.00 C ATOM 1986 C LEU A 127 -14.702 -34.067 6.640 1.00 0.00 C ATOM 1987 O LEU A 127 -14.281 -33.197 5.879 1.00 0.00 O ATOM 1988 CB LEU A 127 -15.076 -36.295 5.566 1.00 0.00 C ATOM 1989 CG LEU A 127 -14.197 -36.035 4.343 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -13.159 -37.136 4.187 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -15.049 -35.922 3.088 1.00 0.00 C ATOM 0 H LEU A 127 -16.217 -33.815 4.561 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.339 -35.378 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.464 -36.768 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.848 -37.012 5.288 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.675 -35.090 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.543 -36.934 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -12.528 -37.169 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -13.662 -38.095 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -14.406 -35.737 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -15.599 -36.851 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -15.753 -35.097 3.199 1.00 0.00 H new ATOM 2003 N ASN A 128 -14.279 -34.197 7.894 1.00 0.00 N ATOM 2004 CA ASN A 128 -13.273 -33.304 8.457 1.00 0.00 C ATOM 2005 C ASN A 128 -12.336 -34.062 9.393 1.00 0.00 C ATOM 2006 O ASN A 128 -12.732 -35.041 10.027 1.00 0.00 O ATOM 2007 CB ASN A 128 -13.946 -32.156 9.212 1.00 0.00 C ATOM 2008 CG ASN A 128 -15.155 -32.614 10.004 1.00 0.00 C ATOM 2009 OD1 ASN A 128 -15.053 -32.916 11.193 1.00 0.00 O ATOM 2010 ND2 ASN A 128 -16.307 -32.668 9.346 1.00 0.00 N ATOM 0 H ASN A 128 -14.617 -34.912 8.539 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.685 -32.895 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -13.225 -31.698 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -14.250 -31.387 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -17.155 -32.969 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.344 -32.408 8.360 1.00 0.00 H new ATOM 2017 N PHE A 129 -11.092 -33.603 9.475 1.00 0.00 N ATOM 2018 CA PHE A 129 -10.098 -34.237 10.333 1.00 0.00 C ATOM 2019 C PHE A 129 -9.840 -33.397 11.580 1.00 0.00 C ATOM 2020 O PHE A 129 -10.062 -32.187 11.582 1.00 0.00 O ATOM 2021 CB PHE A 129 -8.790 -34.446 9.566 1.00 0.00 C ATOM 2022 CG PHE A 129 -8.989 -34.977 8.175 1.00 0.00 C ATOM 2023 CD1 PHE A 129 -9.311 -34.122 7.133 1.00 0.00 C ATOM 2024 CD2 PHE A 129 -8.855 -36.330 7.910 1.00 0.00 C ATOM 2025 CE1 PHE A 129 -9.494 -34.607 5.852 1.00 0.00 C ATOM 2026 CE2 PHE A 129 -9.036 -36.820 6.630 1.00 0.00 C ATOM 2027 CZ PHE A 129 -9.358 -35.958 5.600 1.00 0.00 C ATOM 0 H PHE A 129 -10.748 -32.794 8.958 1.00 0.00 H new ATOM 0 HA PHE A 129 -10.488 -35.206 10.644 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -8.255 -33.498 9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -8.158 -35.137 10.123 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -9.420 -33.065 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -8.606 -37.009 8.712 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.743 -33.930 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -8.926 -37.877 6.436 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.503 -36.340 4.600 1.00 0.00 H new ATOM 2037 N GLU A 130 -9.372 -34.050 12.640 1.00 0.00 N ATOM 2038 CA GLU A 130 -9.086 -33.363 13.894 1.00 0.00 C ATOM 2039 C GLU A 130 -7.973 -34.072 14.661 1.00 0.00 C ATOM 2040 O GLU A 130 -8.163 -35.175 15.174 1.00 0.00 O ATOM 2041 CB GLU A 130 -10.347 -33.285 14.758 1.00 0.00 C ATOM 2042 CG GLU A 130 -10.103 -32.701 16.139 1.00 0.00 C ATOM 2043 CD GLU A 130 -9.714 -31.236 16.092 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -10.237 -30.510 15.221 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -8.886 -30.815 16.927 1.00 0.00 O ATOM 0 H GLU A 130 -9.183 -35.052 12.655 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.754 -32.352 13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.093 -32.680 14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.767 -34.285 14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -11.004 -32.815 16.742 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.314 -33.267 16.635 1.00 0.00 H new ATOM 2052 N VAL A 131 -6.811 -33.430 14.734 1.00 0.00 N ATOM 2053 CA VAL A 131 -5.668 -33.998 15.438 1.00 0.00 C ATOM 2054 C VAL A 131 -6.033 -34.370 16.871 1.00 0.00 C ATOM 2055 O VAL A 131 -6.683 -33.598 17.577 1.00 0.00 O ATOM 2056 CB VAL A 131 -4.480 -33.017 15.461 1.00 0.00 C ATOM 2057 CG1 VAL A 131 -4.935 -31.637 15.911 1.00 0.00 C ATOM 2058 CG2 VAL A 131 -3.373 -33.543 16.363 1.00 0.00 C ATOM 0 H VAL A 131 -6.637 -32.517 14.314 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.378 -34.898 14.896 1.00 0.00 H new ATOM 0 HB VAL A 131 -4.083 -32.930 14.449 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.082 -30.958 15.921 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.691 -31.260 15.222 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.358 -31.702 16.913 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.542 -32.838 16.368 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.755 -33.660 17.377 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.028 -34.508 15.991 1.00 0.00 H new ATOM 2068 N VAL A 132 -5.612 -35.557 17.294 1.00 0.00 N ATOM 2069 CA VAL A 132 -5.893 -36.031 18.644 1.00 0.00 C ATOM 2070 C VAL A 132 -4.605 -36.356 19.392 1.00 0.00 C ATOM 2071 O VAL A 132 -4.523 -36.189 20.608 1.00 0.00 O ATOM 2072 CB VAL A 132 -6.790 -37.283 18.623 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -7.129 -37.721 20.040 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -8.056 -37.017 17.821 1.00 0.00 C ATOM 0 H VAL A 132 -5.075 -36.208 16.722 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.416 -35.226 19.160 1.00 0.00 H new ATOM 0 HB VAL A 132 -6.244 -38.093 18.139 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -7.763 -38.607 20.005 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -6.210 -37.954 20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -7.657 -36.917 20.553 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -8.678 -37.912 17.816 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.608 -36.194 18.274 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.790 -36.755 16.797 1.00 0.00 H new ATOM 2084 N MET A 133 -3.600 -36.819 18.656 1.00 0.00 N ATOM 2085 CA MET A 133 -2.314 -37.165 19.250 1.00 0.00 C ATOM 2086 C MET A 133 -1.165 -36.764 18.330 1.00 0.00 C ATOM 2087 O MET A 133 -0.602 -37.601 17.625 1.00 0.00 O ATOM 2088 CB MET A 133 -2.250 -38.665 19.542 1.00 0.00 C ATOM 2089 CG MET A 133 -2.328 -39.000 21.022 1.00 0.00 C ATOM 2090 SD MET A 133 -3.674 -40.136 21.408 1.00 0.00 S ATOM 2091 CE MET A 133 -3.229 -40.637 23.068 1.00 0.00 C ATOM 0 H MET A 133 -3.651 -36.963 17.648 1.00 0.00 H new ATOM 0 HA MET A 133 -2.215 -36.616 20.186 1.00 0.00 H new ATOM 0 HB2 MET A 133 -3.068 -39.163 19.022 1.00 0.00 H new ATOM 0 HB3 MET A 133 -1.322 -39.067 19.135 1.00 0.00 H new ATOM 0 HG2 MET A 133 -1.383 -39.441 21.341 1.00 0.00 H new ATOM 0 HG3 MET A 133 -2.459 -38.080 21.592 1.00 0.00 H new ATOM 0 HE1 MET A 133 -3.969 -41.343 23.446 1.00 0.00 H new ATOM 0 HE2 MET A 133 -2.248 -41.112 23.054 1.00 0.00 H new ATOM 0 HE3 MET A 133 -3.199 -39.761 23.716 1.00 0.00 H new ATOM 2101 N GLU A 134 -0.822 -35.480 18.343 1.00 0.00 N ATOM 2102 CA GLU A 134 0.260 -34.970 17.508 1.00 0.00 C ATOM 2103 C GLU A 134 1.618 -35.262 18.140 1.00 0.00 C ATOM 2104 O GLU A 134 2.163 -34.438 18.875 1.00 0.00 O ATOM 2105 CB GLU A 134 0.099 -33.464 17.290 1.00 0.00 C ATOM 2106 CG GLU A 134 0.732 -32.965 16.002 1.00 0.00 C ATOM 2107 CD GLU A 134 1.541 -31.698 16.203 1.00 0.00 C ATOM 2108 OE1 GLU A 134 0.945 -30.601 16.163 1.00 0.00 O ATOM 2109 OE2 GLU A 134 2.770 -31.803 16.399 1.00 0.00 O ATOM 0 H GLU A 134 -1.277 -34.774 18.922 1.00 0.00 H new ATOM 0 HA GLU A 134 0.211 -35.476 16.544 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -0.963 -33.218 17.282 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.543 -32.934 18.133 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.377 -33.743 15.593 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.050 -32.780 15.265 1.00 0.00 H new ATOM 2116 N LYS A 135 2.159 -36.440 17.848 1.00 0.00 N ATOM 2117 CA LYS A 135 3.453 -36.842 18.385 1.00 0.00 C ATOM 2118 C LYS A 135 4.535 -35.834 18.011 1.00 0.00 C ATOM 2119 O LYS A 135 5.368 -35.467 18.839 1.00 0.00 O ATOM 2120 CB LYS A 135 3.834 -38.231 17.867 1.00 0.00 C ATOM 2121 CG LYS A 135 3.081 -39.361 18.548 1.00 0.00 C ATOM 2122 CD LYS A 135 2.909 -40.554 17.622 1.00 0.00 C ATOM 2123 CE LYS A 135 2.177 -41.694 18.312 1.00 0.00 C ATOM 2124 NZ LYS A 135 0.732 -41.390 18.504 1.00 0.00 N ATOM 0 H LYS A 135 1.721 -37.133 17.242 1.00 0.00 H new ATOM 0 HA LYS A 135 3.373 -36.875 19.472 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.645 -38.274 16.794 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.904 -38.382 18.008 1.00 0.00 H new ATOM 0 HG2 LYS A 135 3.619 -39.670 19.444 1.00 0.00 H new ATOM 0 HG3 LYS A 135 2.102 -39.005 18.870 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.355 -40.250 16.734 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.887 -40.899 17.286 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.281 -42.603 17.720 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.639 -41.889 19.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.230 -42.256 18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.624 -40.669 19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.331 -41.032 17.613 1.00 0.00 H new