USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 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= -2.67 K(o=-0.38,f=-2.3!) USER MOD Set 1.2: A 74 THR OG1 : rot 72:sc= 2.29 USER MOD Set 2.1: A 64 CYS SG : rot -23:sc= 0.0503 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 CYS SG : rot 147:sc= 0.272 USER MOD Set 3.2: A 54 TYR OH : rot 178:sc= -0.494! USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.721 (180deg=-1.18) USER MOD Single : A 33 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.53) 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= -0.658 X(o=-0.66,f=-0.27) USER MOD Single : A 49 CYS SG : rot 75:sc= 0.165 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.604 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= 0.398 X(o=0.4,f=0) USER MOD Single : A 66 CYS SG : rot 173:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.46) USER MOD Single : A 81 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.5!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.636 F(o=-2.8!,f=-0.64) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -2:sc= 1.21 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 105 CYS SG : rot -40:sc= -0.473 USER MOD Single : A 108 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -4.24! C(o=-4.2!,f=-4.7!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 424 N ARG A 27 -7.482 -27.040 11.707 1.00 0.00 N ATOM 425 CA ARG A 27 -8.830 -27.430 11.309 1.00 0.00 C ATOM 426 C ARG A 27 -8.853 -27.898 9.857 1.00 0.00 C ATOM 427 O ARG A 27 -8.362 -27.210 8.963 1.00 0.00 O ATOM 428 CB ARG A 27 -9.798 -26.261 11.495 1.00 0.00 C ATOM 429 CG ARG A 27 -9.464 -25.051 10.638 1.00 0.00 C ATOM 430 CD ARG A 27 -10.432 -24.908 9.474 1.00 0.00 C ATOM 431 NE ARG A 27 -11.597 -24.102 9.827 1.00 0.00 N ATOM 432 CZ ARG A 27 -12.565 -23.795 8.971 1.00 0.00 C ATOM 433 NH1 ARG A 27 -12.507 -24.224 7.718 1.00 0.00 N ATOM 434 NH2 ARG A 27 -13.594 -23.056 9.367 1.00 0.00 N ATOM 0 HA ARG A 27 -9.145 -28.257 11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.808 -26.596 11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.798 -25.964 12.544 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.495 -24.150 11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.447 -25.143 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.918 -24.451 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.759 -25.896 9.151 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.672 -23.756 10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.718 -24.791 7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.252 -23.987 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.642 -22.723 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.337 -22.821 8.708 1.00 0.00 H new ATOM 448 N LYS A 28 -9.428 -29.074 9.629 1.00 0.00 N ATOM 449 CA LYS A 28 -9.518 -29.636 8.286 1.00 0.00 C ATOM 450 C LYS A 28 -10.972 -29.742 7.837 1.00 0.00 C ATOM 451 O LYS A 28 -11.888 -29.734 8.659 1.00 0.00 O ATOM 452 CB LYS A 28 -8.857 -31.015 8.243 1.00 0.00 C ATOM 453 CG LYS A 28 -7.446 -31.032 8.805 1.00 0.00 C ATOM 454 CD LYS A 28 -6.612 -29.889 8.250 1.00 0.00 C ATOM 455 CE LYS A 28 -5.126 -30.124 8.477 1.00 0.00 C ATOM 456 NZ LYS A 28 -4.412 -28.863 8.822 1.00 0.00 N ATOM 0 H LYS A 28 -9.839 -29.657 10.358 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.994 -28.968 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.471 -31.720 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.832 -31.364 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.485 -30.961 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.969 -31.982 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.806 -29.780 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.911 -28.955 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.991 -30.849 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.685 -30.557 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.504 -29.091 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.239 -28.314 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.994 -28.302 9.476 1.00 0.00 H new ATOM 470 N PHE A 29 -11.175 -29.843 6.527 1.00 0.00 N ATOM 471 CA PHE A 29 -12.518 -29.952 5.969 1.00 0.00 C ATOM 472 C PHE A 29 -12.463 -30.295 4.483 1.00 0.00 C ATOM 473 O PHE A 29 -11.699 -29.695 3.725 1.00 0.00 O ATOM 474 CB PHE A 29 -13.287 -28.645 6.175 1.00 0.00 C ATOM 475 CG PHE A 29 -14.533 -28.545 5.342 1.00 0.00 C ATOM 476 CD1 PHE A 29 -14.478 -28.059 4.045 1.00 0.00 C ATOM 477 CD2 PHE A 29 -15.758 -28.936 5.856 1.00 0.00 C ATOM 478 CE1 PHE A 29 -15.623 -27.966 3.276 1.00 0.00 C ATOM 479 CE2 PHE A 29 -16.906 -28.846 5.091 1.00 0.00 C ATOM 480 CZ PHE A 29 -16.838 -28.359 3.800 1.00 0.00 C ATOM 0 H PHE A 29 -10.427 -29.852 5.833 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.037 -30.756 6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.555 -28.552 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.632 -27.806 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.530 -27.750 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -15.817 -29.315 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -15.567 -27.586 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.855 -29.156 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.734 -28.286 3.202 1.00 0.00 H new ATOM 490 N ILE A 30 -13.277 -31.262 4.074 1.00 0.00 N ATOM 491 CA ILE A 30 -13.322 -31.684 2.680 1.00 0.00 C ATOM 492 C ILE A 30 -14.685 -32.268 2.325 1.00 0.00 C ATOM 493 O ILE A 30 -15.417 -32.736 3.198 1.00 0.00 O ATOM 494 CB ILE A 30 -12.232 -32.728 2.372 1.00 0.00 C ATOM 495 CG1 ILE A 30 -12.535 -34.041 3.096 1.00 0.00 C ATOM 496 CG2 ILE A 30 -10.864 -32.199 2.774 1.00 0.00 C ATOM 497 CD1 ILE A 30 -11.563 -35.152 2.765 1.00 0.00 C ATOM 0 H ILE A 30 -13.915 -31.768 4.689 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.143 -30.795 2.076 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.225 -32.919 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.521 -33.865 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.544 -34.364 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.104 -32.948 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.649 -31.286 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.857 -31.983 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.839 -36.052 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.594 -35.356 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.555 -34.850 3.048 1.00 0.00 H new ATOM 509 N ILE A 31 -15.019 -32.239 1.040 1.00 0.00 N ATOM 510 CA ILE A 31 -16.293 -32.769 0.570 1.00 0.00 C ATOM 511 C ILE A 31 -16.086 -33.805 -0.530 1.00 0.00 C ATOM 512 O ILE A 31 -15.191 -33.669 -1.364 1.00 0.00 O ATOM 513 CB ILE A 31 -17.207 -31.649 0.039 1.00 0.00 C ATOM 514 CG1 ILE A 31 -18.595 -32.204 -0.285 1.00 0.00 C ATOM 515 CG2 ILE A 31 -16.590 -31.000 -1.191 1.00 0.00 C ATOM 516 CD1 ILE A 31 -18.754 -32.633 -1.727 1.00 0.00 C ATOM 0 H ILE A 31 -14.425 -31.854 0.305 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.772 -33.243 1.426 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.312 -30.889 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.797 -33.057 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.343 -31.445 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.248 -30.211 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.621 -30.574 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.458 -31.750 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.762 -33.016 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.585 -31.778 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.030 -33.415 -1.956 1.00 0.00 H new ATOM 528 N ALA A 32 -16.920 -34.839 -0.526 1.00 0.00 N ATOM 529 CA ALA A 32 -16.831 -35.896 -1.526 1.00 0.00 C ATOM 530 C ALA A 32 -18.203 -36.219 -2.108 1.00 0.00 C ATOM 531 O ALA A 32 -19.226 -36.023 -1.453 1.00 0.00 O ATOM 532 CB ALA A 32 -16.206 -37.144 -0.921 1.00 0.00 C ATOM 0 H ALA A 32 -17.665 -34.968 0.159 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.195 -35.541 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.146 -37.925 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.204 -36.911 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.819 -37.492 -0.090 1.00 0.00 H new ATOM 538 N ASN A 33 -18.217 -36.713 -3.342 1.00 0.00 N ATOM 539 CA ASN A 33 -19.464 -37.061 -4.012 1.00 0.00 C ATOM 540 C ASN A 33 -20.176 -38.195 -3.281 1.00 0.00 C ATOM 541 O ASN A 33 -19.543 -39.007 -2.607 1.00 0.00 O ATOM 542 CB ASN A 33 -19.192 -37.465 -5.462 1.00 0.00 C ATOM 543 CG ASN A 33 -17.915 -38.269 -5.608 1.00 0.00 C ATOM 544 OD1 ASN A 33 -17.810 -39.387 -5.103 1.00 0.00 O ATOM 545 ND2 ASN A 33 -16.935 -37.702 -6.303 1.00 0.00 N ATOM 0 H ASN A 33 -17.378 -36.881 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 33 -20.111 -36.184 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -20.032 -38.050 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -19.127 -36.569 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.052 -38.195 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.065 -36.773 -6.704 1.00 0.00 H new ATOM 552 N ALA A 34 -21.497 -38.243 -3.420 1.00 0.00 N ATOM 553 CA ALA A 34 -22.295 -39.279 -2.775 1.00 0.00 C ATOM 554 C ALA A 34 -22.039 -40.643 -3.407 1.00 0.00 C ATOM 555 O ALA A 34 -22.228 -41.678 -2.768 1.00 0.00 O ATOM 556 CB ALA A 34 -23.774 -38.929 -2.851 1.00 0.00 C ATOM 0 H ALA A 34 -22.037 -37.577 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.998 -39.332 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -24.358 -39.711 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -23.949 -37.979 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -24.075 -38.846 -3.895 1.00 0.00 H new ATOM 631 N CYS A 39 -13.692 -40.317 -9.170 1.00 0.00 N ATOM 632 CA CYS A 39 -12.978 -41.336 -8.407 1.00 0.00 C ATOM 633 C CYS A 39 -12.082 -40.696 -7.352 1.00 0.00 C ATOM 634 O CYS A 39 -11.211 -41.353 -6.782 1.00 0.00 O ATOM 635 CB CYS A 39 -12.142 -42.210 -9.342 1.00 0.00 C ATOM 636 SG CYS A 39 -12.127 -43.963 -8.897 1.00 0.00 S ATOM 0 HA CYS A 39 -13.715 -41.960 -7.901 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.525 -42.107 -10.357 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.117 -41.839 -9.349 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.396 -44.620 -9.747 1.00 0.00 H new ATOM 642 N ALA A 40 -12.300 -39.410 -7.099 1.00 0.00 N ATOM 643 CA ALA A 40 -11.512 -38.681 -6.112 1.00 0.00 C ATOM 644 C ALA A 40 -12.364 -37.645 -5.386 1.00 0.00 C ATOM 645 O ALA A 40 -13.468 -37.319 -5.821 1.00 0.00 O ATOM 646 CB ALA A 40 -10.319 -38.012 -6.779 1.00 0.00 C ATOM 0 H ALA A 40 -13.016 -38.851 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.148 -39.396 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.740 -37.471 -6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.691 -38.770 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.671 -37.314 -7.539 1.00 0.00 H new ATOM 652 N VAL A 41 -11.844 -37.132 -4.275 1.00 0.00 N ATOM 653 CA VAL A 41 -12.557 -36.133 -3.488 1.00 0.00 C ATOM 654 C VAL A 41 -13.037 -34.983 -4.365 1.00 0.00 C ATOM 655 O VAL A 41 -12.444 -34.692 -5.405 1.00 0.00 O ATOM 656 CB VAL A 41 -11.671 -35.570 -2.361 1.00 0.00 C ATOM 657 CG1 VAL A 41 -10.535 -34.740 -2.939 1.00 0.00 C ATOM 658 CG2 VAL A 41 -12.504 -34.746 -1.391 1.00 0.00 C ATOM 0 H VAL A 41 -10.932 -37.392 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.419 -36.633 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.236 -36.405 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.920 -34.351 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.924 -35.364 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.946 -33.910 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.862 -34.356 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.969 -33.917 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.279 -35.375 -0.952 1.00 0.00 H new ATOM 668 N ILE A 42 -14.114 -34.331 -3.939 1.00 0.00 N ATOM 669 CA ILE A 42 -14.673 -33.211 -4.686 1.00 0.00 C ATOM 670 C ILE A 42 -13.925 -31.918 -4.379 1.00 0.00 C ATOM 671 O ILE A 42 -13.321 -31.312 -5.265 1.00 0.00 O ATOM 672 CB ILE A 42 -16.167 -33.013 -4.369 1.00 0.00 C ATOM 673 CG1 ILE A 42 -17.012 -34.038 -5.130 1.00 0.00 C ATOM 674 CG2 ILE A 42 -16.600 -31.597 -4.720 1.00 0.00 C ATOM 675 CD1 ILE A 42 -18.471 -34.035 -4.730 1.00 0.00 C ATOM 0 H ILE A 42 -14.616 -34.559 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.562 -33.450 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 42 -16.320 -33.165 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -16.936 -33.838 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -16.600 -35.033 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -17.658 -31.473 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.016 -30.883 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.436 -31.419 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.009 -34.786 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -18.558 -34.266 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.899 -33.052 -4.924 1.00 0.00 H new ATOM 687 N TYR A 43 -13.967 -31.501 -3.118 1.00 0.00 N ATOM 688 CA TYR A 43 -13.294 -30.280 -2.694 1.00 0.00 C ATOM 689 C TYR A 43 -12.600 -30.479 -1.350 1.00 0.00 C ATOM 690 O TYR A 43 -12.893 -31.428 -0.622 1.00 0.00 O ATOM 691 CB TYR A 43 -14.295 -29.127 -2.598 1.00 0.00 C ATOM 692 CG TYR A 43 -13.827 -27.860 -3.277 1.00 0.00 C ATOM 693 CD1 TYR A 43 -13.696 -27.797 -4.659 1.00 0.00 C ATOM 694 CD2 TYR A 43 -13.514 -26.726 -2.537 1.00 0.00 C ATOM 695 CE1 TYR A 43 -13.268 -26.641 -5.283 1.00 0.00 C ATOM 696 CE2 TYR A 43 -13.086 -25.566 -3.153 1.00 0.00 C ATOM 697 CZ TYR A 43 -12.965 -25.529 -4.526 1.00 0.00 C ATOM 698 OH TYR A 43 -12.538 -24.376 -5.144 1.00 0.00 O ATOM 0 H TYR A 43 -14.460 -31.991 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.538 -30.035 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.240 -29.440 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.492 -28.915 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.933 -28.666 -5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.607 -26.752 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.171 -26.608 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.848 -24.693 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.368 -23.687 -4.469 1.00 0.00 H new ATOM 708 N CYS A 44 -11.679 -29.577 -1.028 1.00 0.00 N ATOM 709 CA CYS A 44 -10.942 -29.652 0.229 1.00 0.00 C ATOM 710 C CYS A 44 -10.520 -28.263 0.695 1.00 0.00 C ATOM 711 O CYS A 44 -10.333 -27.356 -0.114 1.00 0.00 O ATOM 712 CB CYS A 44 -9.711 -30.546 0.069 1.00 0.00 C ATOM 713 SG CYS A 44 -8.408 -29.831 -0.961 1.00 0.00 S ATOM 0 H CYS A 44 -11.425 -28.786 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.600 -30.084 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.302 -30.762 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.020 -31.498 -0.363 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.247 -30.210 -0.517 1.00 0.00 H new ATOM 719 N ASN A 45 -10.373 -28.104 2.006 1.00 0.00 N ATOM 720 CA ASN A 45 -9.975 -26.824 2.582 1.00 0.00 C ATOM 721 C ASN A 45 -8.465 -26.627 2.478 1.00 0.00 C ATOM 722 O ASN A 45 -7.774 -27.393 1.806 1.00 0.00 O ATOM 723 CB ASN A 45 -10.412 -26.741 4.045 1.00 0.00 C ATOM 724 CG ASN A 45 -10.901 -25.357 4.425 1.00 0.00 C ATOM 725 OD1 ASN A 45 -11.927 -24.891 3.929 1.00 0.00 O ATOM 726 ND2 ASN A 45 -10.166 -24.692 5.309 1.00 0.00 N ATOM 0 H ASN A 45 -10.523 -28.845 2.690 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.467 -26.031 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.206 -27.466 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.576 -27.017 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.445 -23.756 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.323 -25.117 5.694 1.00 0.00 H new ATOM 733 N ASP A 46 -7.962 -25.597 3.149 1.00 0.00 N ATOM 734 CA ASP A 46 -6.534 -25.300 3.134 1.00 0.00 C ATOM 735 C ASP A 46 -5.779 -26.211 4.097 1.00 0.00 C ATOM 736 O ASP A 46 -4.646 -26.609 3.831 1.00 0.00 O ATOM 737 CB ASP A 46 -6.292 -23.835 3.504 1.00 0.00 C ATOM 738 CG ASP A 46 -5.250 -23.179 2.620 1.00 0.00 C ATOM 739 OD1 ASP A 46 -4.464 -23.913 1.984 1.00 0.00 O ATOM 740 OD2 ASP A 46 -5.221 -21.932 2.563 1.00 0.00 O ATOM 0 H ASP A 46 -8.521 -24.954 3.710 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.162 -25.479 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.229 -23.284 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.972 -23.774 4.544 1.00 0.00 H new ATOM 745 N GLY A 47 -6.417 -26.538 5.217 1.00 0.00 N ATOM 746 CA GLY A 47 -5.790 -27.400 6.203 1.00 0.00 C ATOM 747 C GLY A 47 -5.254 -28.681 5.595 1.00 0.00 C ATOM 748 O GLY A 47 -4.079 -29.012 5.762 1.00 0.00 O ATOM 0 H GLY A 47 -7.356 -26.222 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.975 -26.862 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.514 -27.645 6.980 1.00 0.00 H new ATOM 752 N PHE A 48 -6.116 -29.406 4.890 1.00 0.00 N ATOM 753 CA PHE A 48 -5.722 -30.660 4.258 1.00 0.00 C ATOM 754 C PHE A 48 -4.435 -30.485 3.458 1.00 0.00 C ATOM 755 O PHE A 48 -3.535 -31.324 3.519 1.00 0.00 O ATOM 756 CB PHE A 48 -6.840 -31.167 3.343 1.00 0.00 C ATOM 757 CG PHE A 48 -6.490 -32.434 2.616 1.00 0.00 C ATOM 758 CD1 PHE A 48 -5.587 -33.333 3.159 1.00 0.00 C ATOM 759 CD2 PHE A 48 -7.065 -32.725 1.390 1.00 0.00 C ATOM 760 CE1 PHE A 48 -5.264 -34.500 2.493 1.00 0.00 C ATOM 761 CE2 PHE A 48 -6.746 -33.890 0.719 1.00 0.00 C ATOM 762 CZ PHE A 48 -5.843 -34.779 1.271 1.00 0.00 C ATOM 0 H PHE A 48 -7.091 -29.147 4.742 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.543 -31.394 5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.738 -31.335 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.081 -30.394 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.130 -33.119 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.771 -32.034 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.559 -35.193 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.202 -34.106 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.591 -35.690 0.748 1.00 0.00 H new ATOM 772 N CYS A 49 -4.355 -29.392 2.709 1.00 0.00 N ATOM 773 CA CYS A 49 -3.178 -29.107 1.895 1.00 0.00 C ATOM 774 C CYS A 49 -1.974 -28.786 2.774 1.00 0.00 C ATOM 775 O CYS A 49 -0.837 -29.098 2.423 1.00 0.00 O ATOM 776 CB CYS A 49 -3.458 -27.940 0.947 1.00 0.00 C ATOM 777 SG CYS A 49 -2.044 -27.462 -0.074 1.00 0.00 S ATOM 0 H CYS A 49 -5.091 -28.688 2.648 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.949 -29.996 1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.289 -28.207 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.777 -27.078 1.533 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.874 -28.339 -1.018 1.00 0.00 H new ATOM 783 N GLU A 50 -2.232 -28.159 3.918 1.00 0.00 N ATOM 784 CA GLU A 50 -1.168 -27.794 4.845 1.00 0.00 C ATOM 785 C GLU A 50 -0.677 -29.015 5.617 1.00 0.00 C ATOM 786 O GLU A 50 0.416 -29.006 6.185 1.00 0.00 O ATOM 787 CB GLU A 50 -1.659 -26.723 5.822 1.00 0.00 C ATOM 788 CG GLU A 50 -1.987 -27.264 7.204 1.00 0.00 C ATOM 789 CD GLU A 50 -0.765 -27.367 8.096 1.00 0.00 C ATOM 790 OE1 GLU A 50 0.279 -26.781 7.740 1.00 0.00 O ATOM 791 OE2 GLU A 50 -0.853 -28.033 9.148 1.00 0.00 O ATOM 0 H GLU A 50 -3.168 -27.894 4.224 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.336 -27.394 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.895 -25.951 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.547 -26.245 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.724 -26.616 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.444 -28.249 7.105 1.00 0.00 H new ATOM 798 N LEU A 51 -1.491 -30.064 5.634 1.00 0.00 N ATOM 799 CA LEU A 51 -1.140 -31.294 6.336 1.00 0.00 C ATOM 800 C LEU A 51 -0.307 -32.210 5.446 1.00 0.00 C ATOM 801 O LEU A 51 0.808 -32.592 5.803 1.00 0.00 O ATOM 802 CB LEU A 51 -2.406 -32.022 6.793 1.00 0.00 C ATOM 803 CG LEU A 51 -2.583 -32.174 8.305 1.00 0.00 C ATOM 804 CD1 LEU A 51 -3.803 -33.027 8.615 1.00 0.00 C ATOM 805 CD2 LEU A 51 -1.334 -32.777 8.930 1.00 0.00 C ATOM 0 H LEU A 51 -2.399 -30.088 5.170 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.545 -31.028 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.271 -31.489 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.412 -33.016 6.345 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.738 -31.185 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.914 -33.125 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.693 -32.553 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.678 -34.015 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.478 -32.878 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.147 -33.759 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.481 -32.127 8.737 1.00 0.00 H new ATOM 817 N CYS A 52 -0.853 -32.557 4.286 1.00 0.00 N ATOM 818 CA CYS A 52 -0.159 -33.427 3.343 1.00 0.00 C ATOM 819 C CYS A 52 0.865 -32.642 2.530 1.00 0.00 C ATOM 820 O CYS A 52 1.753 -33.220 1.905 1.00 0.00 O ATOM 821 CB CYS A 52 -1.162 -34.103 2.407 1.00 0.00 C ATOM 822 SG CYS A 52 -0.969 -35.897 2.290 1.00 0.00 S ATOM 0 H CYS A 52 -1.775 -32.249 3.976 1.00 0.00 H new ATOM 0 HA CYS A 52 0.367 -34.192 3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.172 -33.879 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.061 -33.672 1.411 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.863 -36.378 1.478 1.00 0.00 H new ATOM 828 N GLY A 53 0.733 -31.318 2.542 1.00 0.00 N ATOM 829 CA GLY A 53 1.652 -30.475 1.800 1.00 0.00 C ATOM 830 C GLY A 53 1.842 -30.941 0.371 1.00 0.00 C ATOM 831 O GLY A 53 2.908 -30.750 -0.215 1.00 0.00 O ATOM 0 H GLY A 53 0.007 -30.815 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.279 -29.451 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.617 -30.462 2.306 1.00 0.00 H new ATOM 835 N TYR A 54 0.808 -31.556 -0.192 1.00 0.00 N ATOM 836 CA TYR A 54 0.868 -32.055 -1.560 1.00 0.00 C ATOM 837 C TYR A 54 0.974 -30.904 -2.556 1.00 0.00 C ATOM 838 O TYR A 54 1.121 -29.745 -2.169 1.00 0.00 O ATOM 839 CB TYR A 54 -0.369 -32.901 -1.872 1.00 0.00 C ATOM 840 CG TYR A 54 -1.668 -32.251 -1.452 1.00 0.00 C ATOM 841 CD1 TYR A 54 -2.040 -31.010 -1.954 1.00 0.00 C ATOM 842 CD2 TYR A 54 -2.522 -32.877 -0.553 1.00 0.00 C ATOM 843 CE1 TYR A 54 -3.226 -30.412 -1.573 1.00 0.00 C ATOM 844 CE2 TYR A 54 -3.711 -32.287 -0.168 1.00 0.00 C ATOM 845 CZ TYR A 54 -4.058 -31.054 -0.680 1.00 0.00 C ATOM 846 OH TYR A 54 -5.240 -30.463 -0.298 1.00 0.00 O ATOM 0 H TYR A 54 -0.082 -31.721 0.278 1.00 0.00 H new ATOM 0 HA TYR A 54 1.759 -32.676 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.402 -33.100 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.276 -33.865 -1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.391 -30.504 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.252 -33.841 -0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.500 -29.447 -1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.365 -32.789 0.530 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.723 -31.061 0.310 1.00 0.00 H new ATOM 856 N SER A 55 0.899 -31.234 -3.842 1.00 0.00 N ATOM 857 CA SER A 55 0.990 -30.229 -4.895 1.00 0.00 C ATOM 858 C SER A 55 -0.399 -29.808 -5.365 1.00 0.00 C ATOM 859 O SER A 55 -1.368 -30.553 -5.221 1.00 0.00 O ATOM 860 CB SER A 55 1.798 -30.770 -6.076 1.00 0.00 C ATOM 861 OG SER A 55 2.496 -29.728 -6.736 1.00 0.00 O ATOM 0 H SER A 55 0.776 -32.189 -4.179 1.00 0.00 H new ATOM 0 HA SER A 55 1.497 -29.355 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.506 -31.520 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.131 -31.268 -6.780 1.00 0.00 H new ATOM 0 HG SER A 55 3.006 -30.100 -7.486 1.00 0.00 H new ATOM 867 N ARG A 56 -0.487 -28.606 -5.927 1.00 0.00 N ATOM 868 CA ARG A 56 -1.757 -28.084 -6.417 1.00 0.00 C ATOM 869 C ARG A 56 -2.288 -28.936 -7.566 1.00 0.00 C ATOM 870 O ARG A 56 -3.480 -28.909 -7.872 1.00 0.00 O ATOM 871 CB ARG A 56 -1.592 -26.634 -6.877 1.00 0.00 C ATOM 872 CG ARG A 56 -2.894 -25.983 -7.315 1.00 0.00 C ATOM 873 CD ARG A 56 -2.817 -24.467 -7.223 1.00 0.00 C ATOM 874 NE ARG A 56 -4.139 -23.848 -7.266 1.00 0.00 N ATOM 875 CZ ARG A 56 -4.336 -22.535 -7.284 1.00 0.00 C ATOM 876 NH1 ARG A 56 -3.301 -21.706 -7.263 1.00 0.00 N ATOM 877 NH2 ARG A 56 -5.569 -22.047 -7.324 1.00 0.00 N ATOM 0 H ARG A 56 0.305 -27.976 -6.054 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.476 -28.120 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.159 -26.051 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.883 -26.602 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.121 -26.275 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.711 -26.345 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.315 -24.185 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.211 -24.084 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.956 -24.458 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.351 -22.077 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.455 -20.698 -7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.368 -22.681 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.718 -21.038 -7.338 1.00 0.00 H new ATOM 891 N ALA A 57 -1.395 -29.691 -8.198 1.00 0.00 N ATOM 892 CA ALA A 57 -1.774 -30.552 -9.312 1.00 0.00 C ATOM 893 C ALA A 57 -2.366 -31.866 -8.813 1.00 0.00 C ATOM 894 O ALA A 57 -3.026 -32.584 -9.564 1.00 0.00 O ATOM 895 CB ALA A 57 -0.573 -30.817 -10.207 1.00 0.00 C ATOM 0 H ALA A 57 -0.404 -29.724 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.539 -30.037 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.871 -31.461 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.197 -29.873 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.210 -31.308 -9.629 1.00 0.00 H new ATOM 901 N GLU A 58 -2.123 -32.175 -7.543 1.00 0.00 N ATOM 902 CA GLU A 58 -2.631 -33.404 -6.946 1.00 0.00 C ATOM 903 C GLU A 58 -3.825 -33.117 -6.040 1.00 0.00 C ATOM 904 O GLU A 58 -4.637 -34.000 -5.765 1.00 0.00 O ATOM 905 CB GLU A 58 -1.528 -34.104 -6.149 1.00 0.00 C ATOM 906 CG GLU A 58 -0.215 -34.226 -6.904 1.00 0.00 C ATOM 907 CD GLU A 58 0.411 -35.600 -6.764 1.00 0.00 C ATOM 908 OE1 GLU A 58 0.634 -36.037 -5.616 1.00 0.00 O ATOM 909 OE2 GLU A 58 0.679 -36.238 -7.804 1.00 0.00 O ATOM 0 H GLU A 58 -1.578 -31.591 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.959 -34.060 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.356 -33.554 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.870 -35.100 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.386 -34.014 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.483 -33.473 -6.537 1.00 0.00 H new ATOM 916 N VAL A 59 -3.924 -31.874 -5.578 1.00 0.00 N ATOM 917 CA VAL A 59 -5.018 -31.468 -4.704 1.00 0.00 C ATOM 918 C VAL A 59 -6.370 -31.724 -5.360 1.00 0.00 C ATOM 919 O VAL A 59 -7.385 -31.862 -4.679 1.00 0.00 O ATOM 920 CB VAL A 59 -4.914 -29.978 -4.330 1.00 0.00 C ATOM 921 CG1 VAL A 59 -5.190 -29.102 -5.543 1.00 0.00 C ATOM 922 CG2 VAL A 59 -5.870 -29.646 -3.195 1.00 0.00 C ATOM 0 H VAL A 59 -3.260 -31.131 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.939 -32.068 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.898 -29.777 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.112 -28.052 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.462 -29.322 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.194 -29.303 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.783 -28.589 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.892 -29.862 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.621 -30.248 -2.321 1.00 0.00 H new ATOM 932 N MET A 60 -6.375 -31.785 -6.688 1.00 0.00 N ATOM 933 CA MET A 60 -7.603 -32.026 -7.436 1.00 0.00 C ATOM 934 C MET A 60 -7.732 -33.500 -7.809 1.00 0.00 C ATOM 935 O MET A 60 -8.208 -33.835 -8.893 1.00 0.00 O ATOM 936 CB MET A 60 -7.632 -31.164 -8.700 1.00 0.00 C ATOM 937 CG MET A 60 -6.382 -31.296 -9.555 1.00 0.00 C ATOM 938 SD MET A 60 -6.748 -31.336 -11.320 1.00 0.00 S ATOM 939 CE MET A 60 -5.128 -31.003 -12.009 1.00 0.00 C ATOM 0 H MET A 60 -5.543 -31.671 -7.267 1.00 0.00 H new ATOM 0 HA MET A 60 -8.446 -31.755 -6.800 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.501 -31.439 -9.297 1.00 0.00 H new ATOM 0 HB3 MET A 60 -7.758 -30.120 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.714 -30.461 -9.345 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.851 -32.207 -9.277 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.190 -30.995 -13.097 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.776 -30.033 -11.659 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.431 -31.778 -11.691 1.00 0.00 H new ATOM 949 N GLN A 61 -7.305 -34.374 -6.904 1.00 0.00 N ATOM 950 CA GLN A 61 -7.373 -35.812 -7.139 1.00 0.00 C ATOM 951 C GLN A 61 -6.912 -36.587 -5.909 1.00 0.00 C ATOM 952 O GLN A 61 -6.164 -37.559 -6.021 1.00 0.00 O ATOM 953 CB GLN A 61 -6.517 -36.193 -8.348 1.00 0.00 C ATOM 954 CG GLN A 61 -6.802 -37.588 -8.880 1.00 0.00 C ATOM 955 CD GLN A 61 -5.538 -38.389 -9.125 1.00 0.00 C ATOM 956 OE1 GLN A 61 -4.980 -38.368 -10.223 1.00 0.00 O ATOM 957 NE2 GLN A 61 -5.079 -39.100 -8.102 1.00 0.00 N ATOM 0 H GLN A 61 -6.908 -34.112 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.412 -36.073 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.685 -35.468 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.464 -36.126 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.434 -38.122 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.364 -37.510 -9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.573 -39.088 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.232 -39.658 -8.208 1.00 0.00 H new ATOM 966 N ARG A 62 -7.362 -36.151 -4.737 1.00 0.00 N ATOM 967 CA ARG A 62 -6.994 -36.803 -3.487 1.00 0.00 C ATOM 968 C ARG A 62 -8.061 -37.807 -3.062 1.00 0.00 C ATOM 969 O ARG A 62 -9.256 -37.611 -3.284 1.00 0.00 O ATOM 970 CB ARG A 62 -6.791 -35.762 -2.384 1.00 0.00 C ATOM 971 CG ARG A 62 -5.799 -34.671 -2.752 1.00 0.00 C ATOM 972 CD ARG A 62 -4.471 -34.861 -2.036 1.00 0.00 C ATOM 973 NE ARG A 62 -4.007 -36.244 -2.101 1.00 0.00 N ATOM 974 CZ ARG A 62 -3.565 -36.819 -3.214 1.00 0.00 C ATOM 975 NH1 ARG A 62 -3.527 -36.134 -4.349 1.00 0.00 N ATOM 976 NH2 ARG A 62 -3.160 -38.083 -3.194 1.00 0.00 N ATOM 0 H ARG A 62 -7.982 -35.349 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.059 -37.339 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.751 -35.304 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.447 -36.265 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.636 -34.674 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.216 -33.697 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.722 -34.206 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.576 -34.562 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.023 -36.799 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.838 -35.163 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.187 -36.578 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.188 -38.614 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.821 -38.523 -4.049 1.00 0.00 H new ATOM 990 N PRO A 63 -7.622 -38.910 -2.438 1.00 0.00 N ATOM 991 CA PRO A 63 -8.524 -39.967 -1.970 1.00 0.00 C ATOM 992 C PRO A 63 -9.378 -39.519 -0.788 1.00 0.00 C ATOM 993 O PRO A 63 -8.914 -38.777 0.079 1.00 0.00 O ATOM 994 CB PRO A 63 -7.569 -41.085 -1.546 1.00 0.00 C ATOM 995 CG PRO A 63 -6.295 -40.390 -1.212 1.00 0.00 C ATOM 996 CD PRO A 63 -6.211 -39.210 -2.140 1.00 0.00 C ATOM 0 HA PRO A 63 -9.237 -40.265 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.958 -41.633 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.426 -41.809 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.287 -40.069 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.441 -41.054 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.711 -38.363 -1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.651 -39.449 -3.044 1.00 0.00 H new ATOM 1004 N CYS A 64 -10.625 -39.974 -0.760 1.00 0.00 N ATOM 1005 CA CYS A 64 -11.544 -39.619 0.315 1.00 0.00 C ATOM 1006 C CYS A 64 -11.221 -40.399 1.586 1.00 0.00 C ATOM 1007 O CYS A 64 -11.547 -39.968 2.692 1.00 0.00 O ATOM 1008 CB CYS A 64 -12.988 -39.890 -0.109 1.00 0.00 C ATOM 1009 SG CYS A 64 -13.298 -41.594 -0.629 1.00 0.00 S ATOM 0 H CYS A 64 -11.023 -40.589 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.427 -38.555 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.651 -39.649 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.247 -39.219 -0.928 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.182 -42.141 -1.009 1.00 0.00 H new ATOM 1015 N THR A 65 -10.578 -41.551 1.420 1.00 0.00 N ATOM 1016 CA THR A 65 -10.212 -42.392 2.552 1.00 0.00 C ATOM 1017 C THR A 65 -8.802 -42.078 3.038 1.00 0.00 C ATOM 1018 O THR A 65 -8.274 -42.755 3.921 1.00 0.00 O ATOM 1019 CB THR A 65 -10.298 -43.887 2.192 1.00 0.00 C ATOM 1020 OG1 THR A 65 -11.498 -44.146 1.455 1.00 0.00 O ATOM 1021 CG2 THR A 65 -10.270 -44.749 3.445 1.00 0.00 C ATOM 0 H THR A 65 -10.300 -41.922 0.512 1.00 0.00 H new ATOM 0 HA THR A 65 -10.924 -42.176 3.349 1.00 0.00 H new ATOM 0 HB THR A 65 -9.434 -44.139 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.544 -45.098 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.332 -45.801 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.341 -44.572 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.117 -44.493 4.082 1.00 0.00 H new ATOM 1029 N CYS A 66 -8.197 -41.048 2.458 1.00 0.00 N ATOM 1030 CA CYS A 66 -6.847 -40.644 2.832 1.00 0.00 C ATOM 1031 C CYS A 66 -5.858 -41.784 2.615 1.00 0.00 C ATOM 1032 O CYS A 66 -4.925 -41.968 3.397 1.00 0.00 O ATOM 1033 CB CYS A 66 -6.813 -40.195 4.294 1.00 0.00 C ATOM 1034 SG CYS A 66 -8.169 -39.093 4.760 1.00 0.00 S ATOM 0 H CYS A 66 -8.620 -40.477 1.726 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.556 -39.808 2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.839 -41.077 4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.866 -39.690 4.486 1.00 0.00 H new ATOM 0 HG CYS A 66 -8.144 -38.893 6.044 1.00 0.00 H new ATOM 1040 N ASP A 67 -6.070 -42.549 1.549 1.00 0.00 N ATOM 1041 CA ASP A 67 -5.197 -43.672 1.228 1.00 0.00 C ATOM 1042 C ASP A 67 -3.743 -43.222 1.135 1.00 0.00 C ATOM 1043 O ASP A 67 -2.844 -43.877 1.664 1.00 0.00 O ATOM 1044 CB ASP A 67 -5.629 -44.321 -0.088 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.621 -45.336 -0.591 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -4.451 -46.382 0.071 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.003 -45.085 -1.646 1.00 0.00 O ATOM 0 H ASP A 67 -6.839 -42.412 0.893 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.280 -44.405 2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.594 -44.809 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.769 -43.547 -0.843 1.00 0.00 H new ATOM 1052 N PHE A 68 -3.518 -42.100 0.459 1.00 0.00 N ATOM 1053 CA PHE A 68 -2.172 -41.564 0.295 1.00 0.00 C ATOM 1054 C PHE A 68 -1.595 -41.122 1.636 1.00 0.00 C ATOM 1055 O PHE A 68 -0.413 -40.790 1.738 1.00 0.00 O ATOM 1056 CB PHE A 68 -2.187 -40.384 -0.680 1.00 0.00 C ATOM 1057 CG PHE A 68 -1.661 -40.728 -2.044 1.00 0.00 C ATOM 1058 CD1 PHE A 68 -2.089 -41.872 -2.699 1.00 0.00 C ATOM 1059 CD2 PHE A 68 -0.737 -39.908 -2.672 1.00 0.00 C ATOM 1060 CE1 PHE A 68 -1.608 -42.191 -3.955 1.00 0.00 C ATOM 1061 CE2 PHE A 68 -0.252 -40.222 -3.928 1.00 0.00 C ATOM 1062 CZ PHE A 68 -0.687 -41.365 -4.569 1.00 0.00 C ATOM 0 H PHE A 68 -4.250 -41.545 0.016 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.540 -42.354 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.208 -40.015 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.592 -39.571 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.807 -42.522 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.392 -39.014 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.952 -43.084 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.467 -39.574 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.308 -41.613 -5.549 1.00 0.00 H new ATOM 1072 N LEU A 69 -2.438 -41.119 2.664 1.00 0.00 N ATOM 1073 CA LEU A 69 -2.013 -40.718 4.000 1.00 0.00 C ATOM 1074 C LEU A 69 -1.970 -41.918 4.941 1.00 0.00 C ATOM 1075 O LEU A 69 -1.514 -41.811 6.080 1.00 0.00 O ATOM 1076 CB LEU A 69 -2.957 -39.651 4.558 1.00 0.00 C ATOM 1077 CG LEU A 69 -3.056 -38.355 3.753 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.312 -38.354 2.895 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -3.040 -37.149 4.680 1.00 0.00 C ATOM 0 H LEU A 69 -3.419 -41.390 2.597 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.008 -40.302 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.955 -40.083 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.635 -39.403 5.570 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.190 -38.292 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.365 -37.424 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.282 -39.197 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.190 -38.440 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.111 -36.235 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.886 -37.205 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.111 -37.141 5.250 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.447 -43.060 4.457 1.00 0.00 N ATOM 1092 CA HIS A 70 -2.460 -44.282 5.254 1.00 0.00 C ATOM 1093 C HIS A 70 -1.488 -45.311 4.687 1.00 0.00 C ATOM 1094 O HIS A 70 -1.176 -45.296 3.497 1.00 0.00 O ATOM 1095 CB HIS A 70 -3.871 -44.869 5.303 1.00 0.00 C ATOM 1096 CG HIS A 70 -3.973 -46.115 6.127 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -3.714 -47.373 5.625 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -4.308 -46.292 7.426 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -3.886 -48.270 6.579 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -4.246 -47.640 7.683 1.00 0.00 N ATOM 0 H HIS A 70 -2.830 -43.165 3.517 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.144 -44.029 6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.553 -44.120 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.200 -45.087 4.287 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.575 -45.517 8.130 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.755 -49.337 6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.445 -48.082 8.580 1.00 0.00 H new ATOM 1108 N GLY A 71 -1.011 -46.206 5.548 1.00 0.00 N ATOM 1109 CA GLY A 71 -0.078 -47.229 5.114 1.00 0.00 C ATOM 1110 C GLY A 71 -0.230 -48.520 5.893 1.00 0.00 C ATOM 1111 O GLY A 71 -1.078 -48.640 6.778 1.00 0.00 O ATOM 0 H GLY A 71 -1.254 -46.240 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.230 -47.428 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.941 -46.858 5.226 1.00 0.00 H new ATOM 1115 N PRO A 72 0.605 -49.517 5.564 1.00 0.00 N ATOM 1116 CA PRO A 72 0.579 -50.824 6.227 1.00 0.00 C ATOM 1117 C PRO A 72 1.074 -50.753 7.667 1.00 0.00 C ATOM 1118 O PRO A 72 1.052 -51.749 8.391 1.00 0.00 O ATOM 1119 CB PRO A 72 1.527 -51.672 5.376 1.00 0.00 C ATOM 1120 CG PRO A 72 2.452 -50.690 4.745 1.00 0.00 C ATOM 1121 CD PRO A 72 1.641 -49.444 4.519 1.00 0.00 C ATOM 0 HA PRO A 72 -0.431 -51.227 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.071 -52.392 5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.981 -52.241 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.306 -50.488 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.847 -51.074 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.249 -48.545 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.204 -49.424 3.521 1.00 0.00 H new ATOM 1129 N ARG A 73 1.519 -49.570 8.078 1.00 0.00 N ATOM 1130 CA ARG A 73 2.021 -49.371 9.432 1.00 0.00 C ATOM 1131 C ARG A 73 0.947 -48.754 10.324 1.00 0.00 C ATOM 1132 O ARG A 73 1.056 -48.773 11.550 1.00 0.00 O ATOM 1133 CB ARG A 73 3.260 -48.474 9.413 1.00 0.00 C ATOM 1134 CG ARG A 73 4.456 -49.073 10.134 1.00 0.00 C ATOM 1135 CD ARG A 73 4.603 -48.505 11.537 1.00 0.00 C ATOM 1136 NE ARG A 73 5.990 -48.523 11.993 1.00 0.00 N ATOM 1137 CZ ARG A 73 6.437 -47.801 13.015 1.00 0.00 C ATOM 1138 NH1 ARG A 73 5.611 -47.009 13.683 1.00 0.00 N ATOM 1139 NH2 ARG A 73 7.714 -47.871 13.370 1.00 0.00 N ATOM 0 H ARG A 73 1.542 -48.735 7.493 1.00 0.00 H new ATOM 0 HA ARG A 73 2.292 -50.345 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.535 -48.270 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.012 -47.517 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.344 -50.156 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.363 -48.875 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.229 -47.481 11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.987 -49.081 12.228 1.00 0.00 H new ATOM 0 HE ARG A 73 6.652 -49.123 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.629 -46.952 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.957 -46.456 14.467 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.353 -48.479 12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.056 -47.316 14.155 1.00 0.00 H new ATOM 1153 N THR A 74 -0.091 -48.206 9.699 1.00 0.00 N ATOM 1154 CA THR A 74 -1.183 -47.582 10.435 1.00 0.00 C ATOM 1155 C THR A 74 -2.202 -48.620 10.892 1.00 0.00 C ATOM 1156 O THR A 74 -2.256 -49.727 10.356 1.00 0.00 O ATOM 1157 CB THR A 74 -1.899 -46.518 9.583 1.00 0.00 C ATOM 1158 OG1 THR A 74 -1.401 -46.549 8.240 1.00 0.00 O ATOM 1159 CG2 THR A 74 -1.698 -45.129 10.171 1.00 0.00 C ATOM 0 H THR A 74 -0.198 -48.182 8.685 1.00 0.00 H new ATOM 0 HA THR A 74 -0.741 -47.101 11.308 1.00 0.00 H new ATOM 0 HB THR A 74 -2.965 -46.744 9.580 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.721 -47.359 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.213 -44.394 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.104 -45.100 11.182 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.633 -44.897 10.200 1.00 0.00 H new ATOM 1167 N GLN A 75 -3.009 -48.255 11.883 1.00 0.00 N ATOM 1168 CA GLN A 75 -4.026 -49.156 12.411 1.00 0.00 C ATOM 1169 C GLN A 75 -5.003 -49.574 11.317 1.00 0.00 C ATOM 1170 O GLN A 75 -5.254 -48.822 10.374 1.00 0.00 O ATOM 1171 CB GLN A 75 -4.784 -48.488 13.559 1.00 0.00 C ATOM 1172 CG GLN A 75 -3.912 -48.184 14.767 1.00 0.00 C ATOM 1173 CD GLN A 75 -2.963 -49.318 15.102 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -3.381 -50.465 15.262 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -1.678 -49.003 15.210 1.00 0.00 N ATOM 0 H GLN A 75 -2.978 -47.342 12.336 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.525 -50.048 12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.228 -47.560 13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.605 -49.136 13.867 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.337 -47.278 14.576 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.549 -47.982 15.628 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.376 -48.039 15.069 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.993 -49.725 15.434 1.00 0.00 H new ATOM 1184 N ARG A 76 -5.552 -50.777 11.449 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.501 -51.296 10.470 1.00 0.00 C ATOM 1186 C ARG A 76 -7.903 -50.754 10.732 1.00 0.00 C ATOM 1187 O ARG A 76 -8.698 -50.588 9.807 1.00 0.00 O ATOM 1188 CB ARG A 76 -6.518 -52.825 10.506 1.00 0.00 C ATOM 1189 CG ARG A 76 -6.087 -53.470 9.199 1.00 0.00 C ATOM 1190 CD ARG A 76 -7.193 -53.408 8.156 1.00 0.00 C ATOM 1191 NE ARG A 76 -6.678 -53.065 6.833 1.00 0.00 N ATOM 1192 CZ ARG A 76 -5.921 -53.879 6.106 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -5.592 -55.076 6.570 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -5.492 -53.495 4.910 1.00 0.00 N ATOM 0 H ARG A 76 -5.356 -51.411 12.224 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.182 -50.966 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.861 -53.168 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.524 -53.163 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.198 -52.966 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.812 -54.509 9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.701 -54.371 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.936 -52.670 8.459 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.912 -52.151 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.920 -55.375 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.011 -55.698 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.744 -52.575 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.911 -54.120 4.352 1.00 0.00 H new ATOM 1208 N ARG A 77 -8.199 -50.481 11.999 1.00 0.00 N ATOM 1209 CA ARG A 77 -9.505 -49.959 12.383 1.00 0.00 C ATOM 1210 C ARG A 77 -9.839 -48.696 11.596 1.00 0.00 C ATOM 1211 O ARG A 77 -11.008 -48.367 11.398 1.00 0.00 O ATOM 1212 CB ARG A 77 -9.538 -49.662 13.883 1.00 0.00 C ATOM 1213 CG ARG A 77 -9.807 -50.888 14.741 1.00 0.00 C ATOM 1214 CD ARG A 77 -9.746 -50.554 16.224 1.00 0.00 C ATOM 1215 NE ARG A 77 -8.679 -51.282 16.905 1.00 0.00 N ATOM 1216 CZ ARG A 77 -8.257 -50.991 18.130 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -8.809 -49.992 18.805 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -7.281 -51.700 18.683 1.00 0.00 N ATOM 0 H ARG A 77 -7.552 -50.613 12.777 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.253 -50.718 12.153 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.585 -49.224 14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.307 -48.915 14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.789 -51.295 14.499 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.075 -51.662 14.511 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.590 -49.482 16.348 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.702 -50.793 16.689 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.233 -52.056 16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.560 -49.445 18.383 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.483 -49.771 19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.854 -52.469 18.167 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.958 -51.476 19.624 1.00 0.00 H new ATOM 1232 N ALA A 78 -8.804 -47.992 11.150 1.00 0.00 N ATOM 1233 CA ALA A 78 -8.987 -46.766 10.383 1.00 0.00 C ATOM 1234 C ALA A 78 -9.614 -47.057 9.024 1.00 0.00 C ATOM 1235 O ALA A 78 -10.674 -46.527 8.692 1.00 0.00 O ATOM 1236 CB ALA A 78 -7.657 -46.047 10.210 1.00 0.00 C ATOM 0 H ALA A 78 -7.830 -48.250 11.307 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.667 -46.119 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.809 -45.133 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.249 -45.796 11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.959 -46.696 9.681 1.00 0.00 H new ATOM 1242 N ALA A 79 -8.951 -47.901 8.240 1.00 0.00 N ATOM 1243 CA ALA A 79 -9.445 -48.264 6.917 1.00 0.00 C ATOM 1244 C ALA A 79 -10.807 -48.943 7.007 1.00 0.00 C ATOM 1245 O ALA A 79 -11.679 -48.719 6.168 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.446 -49.169 6.211 1.00 0.00 C ATOM 0 H ALA A 79 -8.070 -48.346 8.498 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.563 -47.349 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.828 -49.432 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.495 -48.648 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.299 -50.076 6.797 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.982 -49.775 8.028 1.00 0.00 N ATOM 1253 CA ALA A 80 -12.239 -50.486 8.227 1.00 0.00 C ATOM 1254 C ALA A 80 -13.359 -49.525 8.610 1.00 0.00 C ATOM 1255 O ALA A 80 -14.427 -49.528 7.998 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.075 -51.560 9.293 1.00 0.00 C ATOM 0 H ALA A 80 -10.269 -49.973 8.730 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.511 -50.963 7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.021 -52.083 9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.310 -52.270 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.776 -51.097 10.233 1.00 0.00 H new ATOM 1262 N GLN A 81 -13.108 -48.705 9.625 1.00 0.00 N ATOM 1263 CA GLN A 81 -14.097 -47.740 10.089 1.00 0.00 C ATOM 1264 C GLN A 81 -14.575 -46.856 8.942 1.00 0.00 C ATOM 1265 O GLN A 81 -15.771 -46.601 8.800 1.00 0.00 O ATOM 1266 CB GLN A 81 -13.510 -46.874 11.206 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.568 -47.527 12.577 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.962 -48.989 12.510 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -15.147 -49.324 12.489 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -12.969 -49.870 12.477 1.00 0.00 N ATOM 0 H GLN A 81 -12.229 -48.690 10.142 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.952 -48.292 10.478 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.472 -46.642 10.967 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.048 -45.927 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.594 -47.439 13.059 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.282 -46.990 13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.001 -49.549 12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.174 -50.868 12.432 1.00 0.00 H new ATOM 1279 N ILE A 82 -13.634 -46.392 8.127 1.00 0.00 N ATOM 1280 CA ILE A 82 -13.960 -45.537 6.993 1.00 0.00 C ATOM 1281 C ILE A 82 -14.778 -46.294 5.952 1.00 0.00 C ATOM 1282 O ILE A 82 -15.778 -45.787 5.444 1.00 0.00 O ATOM 1283 CB ILE A 82 -12.690 -44.979 6.324 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -12.025 -43.940 7.230 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -13.027 -44.371 4.971 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -12.691 -42.583 7.182 1.00 0.00 C ATOM 0 H ILE A 82 -12.640 -46.594 8.231 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.549 -44.707 7.383 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.989 -45.799 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.036 -44.305 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.980 -43.833 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.119 -43.981 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.461 -45.135 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.743 -43.560 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -12.168 -41.897 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.657 -42.197 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.729 -42.676 7.500 1.00 0.00 H new ATOM 1298 N ALA A 83 -14.347 -47.512 5.640 1.00 0.00 N ATOM 1299 CA ALA A 83 -15.041 -48.341 4.662 1.00 0.00 C ATOM 1300 C ALA A 83 -16.463 -48.653 5.118 1.00 0.00 C ATOM 1301 O ALA A 83 -17.425 -48.390 4.398 1.00 0.00 O ATOM 1302 CB ALA A 83 -14.268 -49.629 4.419 1.00 0.00 C ATOM 0 H ALA A 83 -13.520 -47.946 6.050 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.101 -47.784 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.798 -50.238 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.273 -49.391 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.179 -50.182 5.354 1.00 0.00 H new ATOM 1308 N GLN A 84 -16.585 -49.215 6.316 1.00 0.00 N ATOM 1309 CA GLN A 84 -17.890 -49.564 6.865 1.00 0.00 C ATOM 1310 C GLN A 84 -18.768 -48.325 7.012 1.00 0.00 C ATOM 1311 O GLN A 84 -19.983 -48.388 6.826 1.00 0.00 O ATOM 1312 CB GLN A 84 -17.728 -50.252 8.222 1.00 0.00 C ATOM 1313 CG GLN A 84 -19.040 -50.449 8.964 1.00 0.00 C ATOM 1314 CD GLN A 84 -19.949 -51.455 8.287 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -20.558 -51.051 7.178 1.00 0.00 O flip ATOM 1316 NE2 GLN A 84 -20.102 -52.584 8.754 1.00 0.00 N flip ATOM 0 H GLN A 84 -15.797 -49.438 6.924 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.376 -50.251 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.255 -51.223 8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.055 -49.660 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -18.831 -50.781 9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.557 -49.492 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -19.614 -52.853 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.716 -53.250 8.286 1.00 0.00 H new ATOM 1325 N ALA A 85 -18.144 -47.200 7.345 1.00 0.00 N ATOM 1326 CA ALA A 85 -18.868 -45.946 7.515 1.00 0.00 C ATOM 1327 C ALA A 85 -19.514 -45.504 6.206 1.00 0.00 C ATOM 1328 O ALA A 85 -20.668 -45.073 6.186 1.00 0.00 O ATOM 1329 CB ALA A 85 -17.935 -44.864 8.037 1.00 0.00 C ATOM 0 H ALA A 85 -17.139 -47.131 7.502 1.00 0.00 H new ATOM 0 HA ALA A 85 -19.661 -46.109 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.489 -43.933 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -17.524 -45.171 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -17.122 -44.711 7.327 1.00 0.00 H new ATOM 1335 N LEU A 86 -18.764 -45.614 5.115 1.00 0.00 N ATOM 1336 CA LEU A 86 -19.264 -45.225 3.801 1.00 0.00 C ATOM 1337 C LEU A 86 -20.343 -46.190 3.321 1.00 0.00 C ATOM 1338 O LEU A 86 -21.330 -45.780 2.709 1.00 0.00 O ATOM 1339 CB LEU A 86 -18.117 -45.180 2.790 1.00 0.00 C ATOM 1340 CG LEU A 86 -18.427 -44.509 1.452 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -17.524 -43.304 1.237 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -18.276 -45.502 0.309 1.00 0.00 C ATOM 0 H LEU A 86 -17.808 -45.969 5.114 1.00 0.00 H new ATOM 0 HA LEU A 86 -19.704 -44.231 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -17.276 -44.660 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.792 -46.202 2.594 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.461 -44.164 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -17.759 -42.839 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -17.682 -42.583 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.482 -43.625 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -18.501 -45.007 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -17.253 -45.879 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.966 -46.333 0.456 1.00 0.00 H new ATOM 1354 N LEU A 87 -20.149 -47.473 3.604 1.00 0.00 N ATOM 1355 CA LEU A 87 -21.107 -48.498 3.203 1.00 0.00 C ATOM 1356 C LEU A 87 -22.490 -48.205 3.777 1.00 0.00 C ATOM 1357 O LEU A 87 -23.507 -48.573 3.191 1.00 0.00 O ATOM 1358 CB LEU A 87 -20.633 -49.877 3.665 1.00 0.00 C ATOM 1359 CG LEU A 87 -21.569 -51.046 3.359 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -20.771 -52.313 3.091 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -22.546 -51.262 4.506 1.00 0.00 C ATOM 0 H LEU A 87 -19.338 -47.829 4.109 1.00 0.00 H new ATOM 0 HA LEU A 87 -21.175 -48.490 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -19.667 -50.081 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -20.470 -49.841 4.742 1.00 0.00 H new ATOM 0 HG LEU A 87 -22.140 -50.804 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -21.454 -53.134 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -20.113 -52.155 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -20.174 -52.559 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -23.204 -52.098 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -21.992 -51.482 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -23.142 -50.361 4.651 1.00 0.00 H new ATOM 1373 N GLY A 88 -22.519 -47.538 4.927 1.00 0.00 N ATOM 1374 CA GLY A 88 -23.781 -47.205 5.560 1.00 0.00 C ATOM 1375 C GLY A 88 -24.133 -45.737 5.415 1.00 0.00 C ATOM 1376 O GLY A 88 -25.272 -45.339 5.656 1.00 0.00 O ATOM 0 H GLY A 88 -21.690 -47.222 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -24.574 -47.811 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.732 -47.461 6.618 1.00 0.00 H new ATOM 1380 N ALA A 89 -23.152 -44.931 5.022 1.00 0.00 N ATOM 1381 CA ALA A 89 -23.364 -43.500 4.845 1.00 0.00 C ATOM 1382 C ALA A 89 -23.934 -42.869 6.111 1.00 0.00 C ATOM 1383 O ALA A 89 -24.842 -42.041 6.047 1.00 0.00 O ATOM 1384 CB ALA A 89 -24.289 -43.245 3.664 1.00 0.00 C ATOM 0 H ALA A 89 -22.203 -45.245 4.820 1.00 0.00 H new ATOM 0 HA ALA A 89 -22.398 -43.037 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -24.438 -42.172 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -23.842 -43.653 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -25.250 -43.727 3.844 1.00 0.00 H new ATOM 1390 N GLU A 90 -23.396 -43.268 7.259 1.00 0.00 N ATOM 1391 CA GLU A 90 -23.854 -42.741 8.540 1.00 0.00 C ATOM 1392 C GLU A 90 -22.744 -41.955 9.233 1.00 0.00 C ATOM 1393 O GLU A 90 -21.561 -42.199 9.002 1.00 0.00 O ATOM 1394 CB GLU A 90 -24.328 -43.880 9.445 1.00 0.00 C ATOM 1395 CG GLU A 90 -24.790 -43.416 10.816 1.00 0.00 C ATOM 1396 CD GLU A 90 -25.239 -44.564 11.700 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -24.492 -45.560 11.801 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -26.335 -44.467 12.289 1.00 0.00 O ATOM 0 H GLU A 90 -22.644 -43.953 7.329 1.00 0.00 H new ATOM 0 HA GLU A 90 -24.689 -42.067 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -25.147 -44.406 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -23.516 -44.597 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -23.977 -42.881 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -25.612 -42.710 10.699 1.00 0.00 H new ATOM 1405 N GLU A 91 -23.138 -41.011 10.082 1.00 0.00 N ATOM 1406 CA GLU A 91 -22.177 -40.188 10.807 1.00 0.00 C ATOM 1407 C GLU A 91 -21.232 -41.056 11.634 1.00 0.00 C ATOM 1408 O GLU A 91 -21.592 -41.528 12.713 1.00 0.00 O ATOM 1409 CB GLU A 91 -22.905 -39.196 11.717 1.00 0.00 C ATOM 1410 CG GLU A 91 -23.890 -39.854 12.668 1.00 0.00 C ATOM 1411 CD GLU A 91 -24.926 -38.882 13.198 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -25.695 -38.330 12.383 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -24.968 -38.673 14.429 1.00 0.00 O ATOM 0 H GLU A 91 -24.115 -40.797 10.284 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.588 -39.634 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -22.169 -38.640 12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -23.437 -38.472 11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -24.394 -40.672 12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -23.345 -40.291 13.505 1.00 0.00 H new ATOM 1420 N ARG A 92 -20.024 -41.261 11.121 1.00 0.00 N ATOM 1421 CA ARG A 92 -19.029 -42.073 11.810 1.00 0.00 C ATOM 1422 C ARG A 92 -17.682 -41.356 11.859 1.00 0.00 C ATOM 1423 O ARG A 92 -17.297 -40.669 10.913 1.00 0.00 O ATOM 1424 CB ARG A 92 -18.873 -43.426 11.115 1.00 0.00 C ATOM 1425 CG ARG A 92 -19.617 -44.556 11.809 1.00 0.00 C ATOM 1426 CD ARG A 92 -18.678 -45.407 12.650 1.00 0.00 C ATOM 1427 NE ARG A 92 -18.475 -46.733 12.071 1.00 0.00 N ATOM 1428 CZ ARG A 92 -19.332 -47.737 12.216 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -20.445 -47.567 12.916 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -19.077 -48.914 11.659 1.00 0.00 N ATOM 0 H ARG A 92 -19.710 -40.876 10.230 1.00 0.00 H new ATOM 0 HA ARG A 92 -19.373 -42.235 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.232 -43.342 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -17.814 -43.678 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.401 -44.142 12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.108 -45.182 11.064 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.717 -44.901 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.084 -45.509 13.656 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.629 -46.896 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -20.645 -46.663 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.102 -48.340 13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.222 -49.048 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -19.736 -49.685 11.771 1.00 0.00 H new ATOM 1444 N LYS A 93 -16.970 -41.522 12.969 1.00 0.00 N ATOM 1445 CA LYS A 93 -15.666 -40.893 13.142 1.00 0.00 C ATOM 1446 C LYS A 93 -14.614 -41.922 13.544 1.00 0.00 C ATOM 1447 O LYS A 93 -14.888 -42.829 14.331 1.00 0.00 O ATOM 1448 CB LYS A 93 -15.745 -39.790 14.200 1.00 0.00 C ATOM 1449 CG LYS A 93 -15.632 -40.304 15.625 1.00 0.00 C ATOM 1450 CD LYS A 93 -15.920 -39.208 16.637 1.00 0.00 C ATOM 1451 CE LYS A 93 -14.765 -39.034 17.612 1.00 0.00 C ATOM 1452 NZ LYS A 93 -15.244 -38.743 18.992 1.00 0.00 N ATOM 0 H LYS A 93 -17.274 -42.087 13.762 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.374 -40.454 12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.949 -39.067 14.019 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.690 -39.258 14.088 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.330 -41.129 15.772 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.630 -40.700 15.792 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.102 -38.268 16.116 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.829 -39.449 17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -14.158 -39.939 17.621 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -14.122 -38.222 17.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.428 -38.631 19.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.802 -37.865 18.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.837 -39.529 19.327 1.00 0.00 H new ATOM 1466 N VAL A 94 -13.411 -41.775 13.000 1.00 0.00 N ATOM 1467 CA VAL A 94 -12.317 -42.691 13.303 1.00 0.00 C ATOM 1468 C VAL A 94 -10.980 -41.960 13.329 1.00 0.00 C ATOM 1469 O VAL A 94 -10.765 -41.012 12.574 1.00 0.00 O ATOM 1470 CB VAL A 94 -12.244 -43.837 12.278 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -12.080 -43.285 10.870 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -11.107 -44.787 12.622 1.00 0.00 C ATOM 0 H VAL A 94 -13.168 -41.030 12.347 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.518 -43.109 14.289 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.179 -44.396 12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.030 -44.110 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.931 -42.648 10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.161 -42.701 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.070 -45.591 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.163 -44.243 12.612 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.273 -45.209 13.613 1.00 0.00 H new ATOM 1482 N GLU A 95 -10.084 -42.408 14.204 1.00 0.00 N ATOM 1483 CA GLU A 95 -8.766 -41.795 14.328 1.00 0.00 C ATOM 1484 C GLU A 95 -7.725 -42.579 13.535 1.00 0.00 C ATOM 1485 O GLU A 95 -7.564 -43.785 13.724 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.352 -41.718 15.799 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.340 -43.066 16.499 1.00 0.00 C ATOM 1488 CD GLU A 95 -7.989 -42.956 17.970 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -7.209 -42.049 18.328 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -8.496 -43.776 18.764 1.00 0.00 O ATOM 0 H GLU A 95 -10.246 -43.192 14.836 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.823 -40.786 13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.358 -41.275 15.865 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.035 -41.051 16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.320 -43.533 16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.622 -43.721 16.006 1.00 0.00 H new ATOM 1497 N ILE A 96 -7.021 -41.886 12.647 1.00 0.00 N ATOM 1498 CA ILE A 96 -5.994 -42.517 11.826 1.00 0.00 C ATOM 1499 C ILE A 96 -4.677 -41.754 11.910 1.00 0.00 C ATOM 1500 O ILE A 96 -4.664 -40.532 12.061 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.429 -42.606 10.351 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -7.929 -42.895 10.255 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.630 -43.679 9.627 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -8.764 -41.665 9.974 1.00 0.00 C ATOM 0 H ILE A 96 -7.142 -40.888 12.477 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.853 -43.525 12.217 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.231 -41.648 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.100 -43.628 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.264 -43.347 11.189 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.949 -43.730 8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.569 -43.434 9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.799 -44.644 10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.816 -41.944 9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.623 -40.939 10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.456 -41.225 9.026 1.00 0.00 H new ATOM 1516 N ALA A 97 -3.570 -42.482 11.810 1.00 0.00 N ATOM 1517 CA ALA A 97 -2.247 -41.874 11.871 1.00 0.00 C ATOM 1518 C ALA A 97 -1.830 -41.328 10.510 1.00 0.00 C ATOM 1519 O ALA A 97 -1.449 -42.086 9.617 1.00 0.00 O ATOM 1520 CB ALA A 97 -1.225 -42.883 12.373 1.00 0.00 C ATOM 0 H ALA A 97 -3.563 -43.494 11.686 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.290 -41.039 12.570 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.241 -42.415 12.413 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.507 -43.221 13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.193 -43.736 11.696 1.00 0.00 H new ATOM 1526 N PHE A 98 -1.906 -40.011 10.357 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.538 -39.364 9.103 1.00 0.00 C ATOM 1528 C PHE A 98 -0.136 -38.766 9.190 1.00 0.00 C ATOM 1529 O PHE A 98 0.277 -38.274 10.240 1.00 0.00 O ATOM 1530 CB PHE A 98 -2.549 -38.271 8.752 1.00 0.00 C ATOM 1531 CG PHE A 98 -3.943 -38.789 8.543 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -4.158 -40.000 7.906 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -5.039 -38.065 8.985 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -5.440 -40.480 7.712 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -6.323 -38.540 8.795 1.00 0.00 C ATOM 1536 CZ PHE A 98 -6.524 -39.748 8.157 1.00 0.00 C ATOM 0 H PHE A 98 -2.219 -39.370 11.086 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.544 -40.120 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.562 -37.529 9.550 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.220 -37.760 7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.314 -40.576 7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.888 -37.119 9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.594 -41.426 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.169 -37.967 9.145 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.527 -40.120 8.006 1.00 0.00 H new ATOM 1546 N TYR A 99 0.590 -38.814 8.079 1.00 0.00 N ATOM 1547 CA TYR A 99 1.947 -38.281 8.029 1.00 0.00 C ATOM 1548 C TYR A 99 2.003 -37.014 7.181 1.00 0.00 C ATOM 1549 O TYR A 99 1.198 -36.828 6.268 1.00 0.00 O ATOM 1550 CB TYR A 99 2.909 -39.328 7.466 1.00 0.00 C ATOM 1551 CG TYR A 99 2.305 -40.179 6.371 1.00 0.00 C ATOM 1552 CD1 TYR A 99 2.130 -39.673 5.088 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.907 -41.487 6.619 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.578 -40.446 4.085 1.00 0.00 C ATOM 1555 CE2 TYR A 99 1.356 -42.267 5.622 1.00 0.00 C ATOM 1556 CZ TYR A 99 1.193 -41.743 4.357 1.00 0.00 C ATOM 1557 OH TYR A 99 0.643 -42.517 3.361 1.00 0.00 O ATOM 0 H TYR A 99 0.262 -39.216 7.201 1.00 0.00 H new ATOM 0 HA TYR A 99 2.249 -38.030 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.794 -38.824 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.242 -39.976 8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.431 -38.658 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.031 -41.901 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.448 -40.038 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.054 -43.283 5.832 1.00 0.00 H new ATOM 0 HH TYR A 99 0.568 -41.988 2.539 1.00 0.00 H new ATOM 1567 N ARG A 100 2.961 -36.146 7.489 1.00 0.00 N ATOM 1568 CA ARG A 100 3.123 -34.895 6.757 1.00 0.00 C ATOM 1569 C ARG A 100 4.354 -34.949 5.856 1.00 0.00 C ATOM 1570 O ARG A 100 5.097 -35.931 5.859 1.00 0.00 O ATOM 1571 CB ARG A 100 3.241 -33.721 7.730 1.00 0.00 C ATOM 1572 CG ARG A 100 1.922 -33.331 8.376 1.00 0.00 C ATOM 1573 CD ARG A 100 1.966 -33.512 9.885 1.00 0.00 C ATOM 1574 NE ARG A 100 1.222 -32.467 10.584 1.00 0.00 N ATOM 1575 CZ ARG A 100 1.623 -31.202 10.656 1.00 0.00 C ATOM 1576 NH1 ARG A 100 2.755 -30.828 10.074 1.00 0.00 N ATOM 1577 NH2 ARG A 100 0.892 -30.309 11.310 1.00 0.00 N ATOM 0 H ARG A 100 3.637 -36.286 8.240 1.00 0.00 H new ATOM 0 HA ARG A 100 2.242 -34.752 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.957 -33.978 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.645 -32.859 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.693 -32.292 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.118 -33.937 7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.553 -34.487 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.003 -33.505 10.221 1.00 0.00 H new ATOM 0 HE ARG A 100 0.347 -32.722 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.319 -31.512 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.061 -29.857 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.021 -30.593 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.201 -29.338 11.364 1.00 0.00 H new ATOM 1591 N LYS A 101 4.563 -33.887 5.085 1.00 0.00 N ATOM 1592 CA LYS A 101 5.703 -33.811 4.179 1.00 0.00 C ATOM 1593 C LYS A 101 7.013 -34.004 4.936 1.00 0.00 C ATOM 1594 O LYS A 101 7.986 -34.526 4.391 1.00 0.00 O ATOM 1595 CB LYS A 101 5.715 -32.465 3.453 1.00 0.00 C ATOM 1596 CG LYS A 101 4.521 -32.257 2.537 1.00 0.00 C ATOM 1597 CD LYS A 101 4.627 -33.105 1.281 1.00 0.00 C ATOM 1598 CE LYS A 101 5.773 -32.644 0.393 1.00 0.00 C ATOM 1599 NZ LYS A 101 6.759 -33.733 0.150 1.00 0.00 N ATOM 0 H LYS A 101 3.957 -33.067 5.070 1.00 0.00 H new ATOM 0 HA LYS A 101 5.606 -34.611 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.740 -31.664 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.630 -32.386 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.604 -32.508 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.452 -31.205 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.776 -34.149 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.691 -33.053 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.376 -32.294 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.275 -31.797 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.524 -33.379 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.157 -34.050 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.285 -34.532 -0.318 1.00 0.00 H new ATOM 1613 N ASP A 102 7.031 -33.581 6.196 1.00 0.00 N ATOM 1614 CA ASP A 102 8.221 -33.709 7.028 1.00 0.00 C ATOM 1615 C ASP A 102 8.559 -35.177 7.271 1.00 0.00 C ATOM 1616 O ASP A 102 9.660 -35.506 7.709 1.00 0.00 O ATOM 1617 CB ASP A 102 8.015 -32.993 8.364 1.00 0.00 C ATOM 1618 CG ASP A 102 9.275 -32.310 8.856 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.786 -31.421 8.143 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.752 -32.664 9.955 1.00 0.00 O ATOM 0 H ASP A 102 6.235 -33.147 6.663 1.00 0.00 H new ATOM 0 HA ASP A 102 9.054 -33.245 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.222 -32.253 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.680 -33.713 9.111 1.00 0.00 H new ATOM 1625 N GLY A 103 7.603 -36.054 6.984 1.00 0.00 N ATOM 1626 CA GLY A 103 7.818 -37.476 7.178 1.00 0.00 C ATOM 1627 C GLY A 103 7.240 -37.977 8.487 1.00 0.00 C ATOM 1628 O GLY A 103 6.968 -39.168 8.638 1.00 0.00 O ATOM 0 H GLY A 103 6.683 -35.805 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.366 -38.025 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.887 -37.685 7.153 1.00 0.00 H new ATOM 1632 N SER A 104 7.054 -37.066 9.437 1.00 0.00 N ATOM 1633 CA SER A 104 6.511 -37.422 10.742 1.00 0.00 C ATOM 1634 C SER A 104 5.080 -37.935 10.613 1.00 0.00 C ATOM 1635 O SER A 104 4.417 -37.709 9.599 1.00 0.00 O ATOM 1636 CB SER A 104 6.549 -36.214 11.681 1.00 0.00 C ATOM 1637 OG SER A 104 6.956 -35.045 10.992 1.00 0.00 O ATOM 0 H SER A 104 7.272 -36.076 9.327 1.00 0.00 H new ATOM 0 HA SER A 104 7.128 -38.218 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.563 -36.058 12.118 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.235 -36.411 12.505 1.00 0.00 H new ATOM 0 HG SER A 104 6.970 -34.287 11.613 1.00 0.00 H new ATOM 1643 N CYS A 105 4.610 -38.625 11.646 1.00 0.00 N ATOM 1644 CA CYS A 105 3.258 -39.172 11.649 1.00 0.00 C ATOM 1645 C CYS A 105 2.531 -38.818 12.942 1.00 0.00 C ATOM 1646 O CYS A 105 3.059 -39.014 14.037 1.00 0.00 O ATOM 1647 CB CYS A 105 3.298 -40.690 11.471 1.00 0.00 C ATOM 1648 SG CYS A 105 1.766 -41.400 10.825 1.00 0.00 S ATOM 0 H CYS A 105 5.145 -38.819 12.492 1.00 0.00 H new ATOM 0 HA CYS A 105 2.713 -38.731 10.815 1.00 0.00 H new ATOM 0 HB2 CYS A 105 4.116 -40.944 10.797 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.522 -41.152 12.433 1.00 0.00 H new ATOM 0 HG CYS A 105 0.748 -40.809 11.376 1.00 0.00 H new ATOM 1654 N PHE A 106 1.317 -38.295 12.809 1.00 0.00 N ATOM 1655 CA PHE A 106 0.518 -37.911 13.967 1.00 0.00 C ATOM 1656 C PHE A 106 -0.886 -38.501 13.879 1.00 0.00 C ATOM 1657 O PHE A 106 -1.305 -38.983 12.826 1.00 0.00 O ATOM 1658 CB PHE A 106 0.437 -36.386 14.074 1.00 0.00 C ATOM 1659 CG PHE A 106 1.766 -35.703 13.920 1.00 0.00 C ATOM 1660 CD1 PHE A 106 2.888 -36.185 14.574 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.892 -34.579 13.120 1.00 0.00 C ATOM 1662 CE1 PHE A 106 4.112 -35.558 14.434 1.00 0.00 C ATOM 1663 CE2 PHE A 106 3.114 -33.949 12.975 1.00 0.00 C ATOM 1664 CZ PHE A 106 4.225 -34.438 13.634 1.00 0.00 C ATOM 0 H PHE A 106 0.865 -38.127 11.910 1.00 0.00 H new ATOM 0 HA PHE A 106 1.004 -38.306 14.859 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.245 -36.012 13.311 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.010 -36.120 15.041 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.806 -37.061 15.201 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.026 -34.191 12.604 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.979 -35.944 14.950 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.200 -33.075 12.347 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.180 -33.946 13.524 1.00 0.00 H new ATOM 1674 N LEU A 107 -1.609 -38.460 14.993 1.00 0.00 N ATOM 1675 CA LEU A 107 -2.967 -38.992 15.044 1.00 0.00 C ATOM 1676 C LEU A 107 -3.991 -37.894 14.772 1.00 0.00 C ATOM 1677 O LEU A 107 -3.976 -36.845 15.417 1.00 0.00 O ATOM 1678 CB LEU A 107 -3.235 -39.630 16.408 1.00 0.00 C ATOM 1679 CG LEU A 107 -3.301 -41.157 16.433 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -1.940 -41.756 16.112 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -3.796 -41.648 17.785 1.00 0.00 C ATOM 0 H LEU A 107 -1.278 -38.064 15.873 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.063 -39.753 14.270 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.454 -39.309 17.097 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.178 -39.239 16.791 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.008 -41.483 15.670 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.007 -42.844 16.135 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.625 -41.432 15.120 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.212 -41.422 16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.836 -42.737 17.784 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.115 -41.311 18.566 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.792 -41.248 17.975 1.00 0.00 H new ATOM 1693 N CYS A 108 -4.880 -38.145 13.817 1.00 0.00 N ATOM 1694 CA CYS A 108 -5.913 -37.179 13.462 1.00 0.00 C ATOM 1695 C CYS A 108 -7.262 -37.868 13.281 1.00 0.00 C ATOM 1696 O CYS A 108 -7.367 -38.876 12.582 1.00 0.00 O ATOM 1697 CB CYS A 108 -5.529 -36.438 12.180 1.00 0.00 C ATOM 1698 SG CYS A 108 -6.541 -34.979 11.839 1.00 0.00 S ATOM 0 H CYS A 108 -4.906 -39.009 13.275 1.00 0.00 H new ATOM 0 HA CYS A 108 -5.999 -36.460 14.277 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -4.484 -36.134 12.248 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.607 -37.126 11.338 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.139 -34.420 10.737 1.00 0.00 H new ATOM 1704 N LEU A 109 -8.291 -37.317 13.916 1.00 0.00 N ATOM 1705 CA LEU A 109 -9.634 -37.879 13.827 1.00 0.00 C ATOM 1706 C LEU A 109 -10.295 -37.504 12.504 1.00 0.00 C ATOM 1707 O LEU A 109 -10.071 -36.416 11.973 1.00 0.00 O ATOM 1708 CB LEU A 109 -10.491 -37.390 14.995 1.00 0.00 C ATOM 1709 CG LEU A 109 -11.668 -36.483 14.631 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -12.837 -37.308 14.116 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -12.089 -35.648 15.831 1.00 0.00 C ATOM 0 H LEU A 109 -8.221 -36.482 14.498 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.551 -38.965 13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.879 -38.260 15.524 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.847 -36.854 15.692 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.350 -35.807 13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -13.665 -36.646 13.862 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.529 -37.861 13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.156 -38.009 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.927 -35.009 15.554 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.389 -36.307 16.646 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.252 -35.029 16.155 1.00 0.00 H new ATOM 1723 N VAL A 110 -11.111 -38.412 11.978 1.00 0.00 N ATOM 1724 CA VAL A 110 -11.807 -38.175 10.719 1.00 0.00 C ATOM 1725 C VAL A 110 -13.285 -38.531 10.833 1.00 0.00 C ATOM 1726 O VAL A 110 -13.642 -39.694 11.021 1.00 0.00 O ATOM 1727 CB VAL A 110 -11.182 -38.989 9.570 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -11.917 -38.723 8.266 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -9.702 -38.665 9.433 1.00 0.00 C ATOM 0 H VAL A 110 -11.306 -39.318 12.404 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.708 -37.112 10.498 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.279 -40.049 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.461 -39.307 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.963 -39.009 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.854 -37.662 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.276 -39.249 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.580 -37.603 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.188 -38.911 10.362 1.00 0.00 H new ATOM 1739 N ASP A 111 -14.141 -37.521 10.718 1.00 0.00 N ATOM 1740 CA ASP A 111 -15.582 -37.727 10.807 1.00 0.00 C ATOM 1741 C ASP A 111 -16.237 -37.585 9.436 1.00 0.00 C ATOM 1742 O ASP A 111 -15.968 -36.633 8.704 1.00 0.00 O ATOM 1743 CB ASP A 111 -16.202 -36.730 11.787 1.00 0.00 C ATOM 1744 CG ASP A 111 -17.655 -37.040 12.087 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -18.036 -38.227 12.014 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -18.413 -36.096 12.395 1.00 0.00 O ATOM 0 H ASP A 111 -13.862 -36.552 10.563 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.757 -38.739 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.633 -36.737 12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.126 -35.724 11.374 1.00 0.00 H new ATOM 1751 N VAL A 112 -17.096 -38.540 9.095 1.00 0.00 N ATOM 1752 CA VAL A 112 -17.789 -38.522 7.812 1.00 0.00 C ATOM 1753 C VAL A 112 -19.301 -38.471 8.004 1.00 0.00 C ATOM 1754 O VAL A 112 -19.867 -39.252 8.770 1.00 0.00 O ATOM 1755 CB VAL A 112 -17.432 -39.757 6.964 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -17.876 -41.033 7.664 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -18.058 -39.653 5.581 1.00 0.00 C ATOM 0 H VAL A 112 -17.329 -39.336 9.689 1.00 0.00 H new ATOM 0 HA VAL A 112 -17.462 -37.624 7.288 1.00 0.00 H new ATOM 0 HB VAL A 112 -16.349 -39.794 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -17.615 -41.895 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -17.376 -41.111 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -18.955 -41.008 7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -17.795 -40.534 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -19.142 -39.590 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.686 -38.760 5.079 1.00 0.00 H new ATOM 1767 N VAL A 113 -19.950 -37.547 7.304 1.00 0.00 N ATOM 1768 CA VAL A 113 -21.397 -37.394 7.396 1.00 0.00 C ATOM 1769 C VAL A 113 -21.991 -36.967 6.059 1.00 0.00 C ATOM 1770 O VAL A 113 -21.472 -36.085 5.374 1.00 0.00 O ATOM 1771 CB VAL A 113 -21.785 -36.362 8.471 1.00 0.00 C ATOM 1772 CG1 VAL A 113 -23.296 -36.314 8.645 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -21.098 -36.682 9.790 1.00 0.00 C ATOM 0 H VAL A 113 -19.497 -36.893 6.666 1.00 0.00 H new ATOM 0 HA VAL A 113 -21.801 -38.367 7.675 1.00 0.00 H new ATOM 0 HB VAL A 113 -21.450 -35.378 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -23.551 -35.579 9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -23.762 -36.033 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -23.658 -37.296 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -21.384 -35.942 10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -21.400 -37.674 10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -20.017 -36.659 9.652 1.00 0.00 H new ATOM 1783 N PRO A 114 -23.106 -37.606 5.675 1.00 0.00 N ATOM 1784 CA PRO A 114 -23.796 -37.308 4.417 1.00 0.00 C ATOM 1785 C PRO A 114 -24.469 -35.939 4.434 1.00 0.00 C ATOM 1786 O PRO A 114 -24.843 -35.434 5.493 1.00 0.00 O ATOM 1787 CB PRO A 114 -24.845 -38.418 4.316 1.00 0.00 C ATOM 1788 CG PRO A 114 -25.091 -38.836 5.725 1.00 0.00 C ATOM 1789 CD PRO A 114 -23.780 -38.668 6.441 1.00 0.00 C ATOM 0 HA PRO A 114 -23.107 -37.275 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -25.759 -38.057 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -24.483 -39.251 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -25.868 -38.224 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -25.431 -39.870 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -23.925 -38.382 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -23.201 -39.592 6.442 1.00 0.00 H new ATOM 1797 N VAL A 115 -24.620 -35.344 3.255 1.00 0.00 N ATOM 1798 CA VAL A 115 -25.249 -34.034 3.135 1.00 0.00 C ATOM 1799 C VAL A 115 -26.641 -34.147 2.524 1.00 0.00 C ATOM 1800 O VAL A 115 -26.793 -34.192 1.303 1.00 0.00 O ATOM 1801 CB VAL A 115 -24.398 -33.080 2.276 1.00 0.00 C ATOM 1802 CG1 VAL A 115 -24.908 -31.652 2.401 1.00 0.00 C ATOM 1803 CG2 VAL A 115 -22.933 -33.168 2.674 1.00 0.00 C ATOM 0 H VAL A 115 -24.315 -35.748 2.369 1.00 0.00 H new ATOM 0 HA VAL A 115 -25.330 -33.628 4.143 1.00 0.00 H new ATOM 0 HB VAL A 115 -24.486 -33.382 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -24.295 -30.992 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -25.943 -31.604 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -24.852 -31.335 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -22.347 -32.487 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -22.824 -32.892 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -22.577 -34.188 2.528 1.00 0.00 H new ATOM 1813 N LYS A 116 -27.655 -34.193 3.380 1.00 0.00 N ATOM 1814 CA LYS A 116 -29.037 -34.299 2.926 1.00 0.00 C ATOM 1815 C LYS A 116 -29.649 -32.917 2.720 1.00 0.00 C ATOM 1816 O LYS A 116 -29.078 -31.908 3.130 1.00 0.00 O ATOM 1817 CB LYS A 116 -29.868 -35.092 3.936 1.00 0.00 C ATOM 1818 CG LYS A 116 -29.360 -36.504 4.168 1.00 0.00 C ATOM 1819 CD LYS A 116 -30.082 -37.174 5.325 1.00 0.00 C ATOM 1820 CE LYS A 116 -29.703 -38.642 5.444 1.00 0.00 C ATOM 1821 NZ LYS A 116 -29.095 -38.953 6.767 1.00 0.00 N ATOM 0 H LYS A 116 -27.546 -34.159 4.394 1.00 0.00 H new ATOM 0 HA LYS A 116 -29.040 -34.824 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -29.876 -34.557 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -30.900 -35.139 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -29.497 -37.094 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -28.290 -36.477 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -29.840 -36.658 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -31.159 -37.086 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -30.590 -39.259 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -29.001 -38.901 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -28.851 -39.963 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -28.235 -38.383 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -29.774 -38.730 7.522 1.00 0.00 H new ATOM 1835 N ASN A 117 -30.816 -32.881 2.083 1.00 0.00 N ATOM 1836 CA ASN A 117 -31.506 -31.622 1.825 1.00 0.00 C ATOM 1837 C ASN A 117 -32.753 -31.497 2.694 1.00 0.00 C ATOM 1838 O ASN A 117 -32.997 -32.327 3.570 1.00 0.00 O ATOM 1839 CB ASN A 117 -31.889 -31.522 0.347 1.00 0.00 C ATOM 1840 CG ASN A 117 -30.722 -31.099 -0.525 1.00 0.00 C ATOM 1841 OD1 ASN A 117 -29.614 -30.880 -0.036 1.00 0.00 O ATOM 1842 ND2 ASN A 117 -30.968 -30.982 -1.825 1.00 0.00 N ATOM 0 H ASN A 117 -31.303 -33.708 1.737 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.828 -30.806 2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -32.263 -32.487 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -32.703 -30.806 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -30.223 -30.700 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -31.902 -31.174 -2.187 1.00 0.00 H new ATOM 1849 N GLU A 118 -33.540 -30.455 2.445 1.00 0.00 N ATOM 1850 CA GLU A 118 -34.762 -30.221 3.206 1.00 0.00 C ATOM 1851 C GLU A 118 -35.704 -31.417 3.102 1.00 0.00 C ATOM 1852 O GLU A 118 -36.573 -31.612 3.952 1.00 0.00 O ATOM 1853 CB GLU A 118 -35.466 -28.958 2.707 1.00 0.00 C ATOM 1854 CG GLU A 118 -35.832 -27.987 3.817 1.00 0.00 C ATOM 1855 CD GLU A 118 -35.495 -26.550 3.469 1.00 0.00 C ATOM 1856 OE1 GLU A 118 -34.306 -26.180 3.561 1.00 0.00 O ATOM 1857 OE2 GLU A 118 -36.421 -25.795 3.104 1.00 0.00 O ATOM 0 H GLU A 118 -33.353 -29.760 1.722 1.00 0.00 H new ATOM 0 HA GLU A 118 -34.488 -30.086 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -34.820 -28.451 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -36.372 -29.244 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -36.899 -28.066 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -35.306 -28.269 4.729 1.00 0.00 H new ATOM 1864 N ASP A 119 -35.524 -32.215 2.055 1.00 0.00 N ATOM 1865 CA ASP A 119 -36.357 -33.392 1.839 1.00 0.00 C ATOM 1866 C ASP A 119 -35.660 -34.651 2.344 1.00 0.00 C ATOM 1867 O ASP A 119 -36.258 -35.725 2.401 1.00 0.00 O ATOM 1868 CB ASP A 119 -36.693 -33.540 0.354 1.00 0.00 C ATOM 1869 CG ASP A 119 -38.171 -33.354 0.074 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -38.992 -33.766 0.920 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -38.507 -32.796 -0.992 1.00 0.00 O ATOM 0 H ASP A 119 -34.809 -32.068 1.343 1.00 0.00 H new ATOM 0 HA ASP A 119 -37.282 -33.260 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -36.123 -32.809 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -36.382 -34.527 0.011 1.00 0.00 H new ATOM 1876 N GLY A 120 -34.388 -34.512 2.708 1.00 0.00 N ATOM 1877 CA GLY A 120 -33.630 -35.646 3.202 1.00 0.00 C ATOM 1878 C GLY A 120 -32.898 -36.380 2.096 1.00 0.00 C ATOM 1879 O GLY A 120 -32.460 -37.515 2.279 1.00 0.00 O ATOM 0 H GLY A 120 -33.870 -33.634 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.910 -35.302 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -34.304 -36.337 3.708 1.00 0.00 H new ATOM 1883 N ALA A 121 -32.766 -35.730 0.944 1.00 0.00 N ATOM 1884 CA ALA A 121 -32.082 -36.328 -0.196 1.00 0.00 C ATOM 1885 C ALA A 121 -30.590 -36.016 -0.167 1.00 0.00 C ATOM 1886 O ALA A 121 -30.180 -34.874 -0.374 1.00 0.00 O ATOM 1887 CB ALA A 121 -32.699 -35.839 -1.498 1.00 0.00 C ATOM 0 H ALA A 121 -33.124 -34.790 0.776 1.00 0.00 H new ATOM 0 HA ALA A 121 -32.202 -37.410 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -32.178 -36.294 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -33.752 -36.118 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -32.609 -34.754 -1.558 1.00 0.00 H new ATOM 1893 N VAL A 122 -29.781 -37.038 0.094 1.00 0.00 N ATOM 1894 CA VAL A 122 -28.333 -36.873 0.150 1.00 0.00 C ATOM 1895 C VAL A 122 -27.732 -36.815 -1.250 1.00 0.00 C ATOM 1896 O VAL A 122 -27.822 -37.776 -2.015 1.00 0.00 O ATOM 1897 CB VAL A 122 -27.668 -38.018 0.936 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -28.034 -39.364 0.331 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -26.158 -37.832 0.971 1.00 0.00 C ATOM 0 H VAL A 122 -30.104 -37.989 0.270 1.00 0.00 H new ATOM 0 HA VAL A 122 -28.141 -35.931 0.663 1.00 0.00 H new ATOM 0 HB VAL A 122 -28.038 -37.995 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -27.555 -40.161 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -29.116 -39.495 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -27.694 -39.402 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -25.704 -38.650 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -25.768 -37.828 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -25.919 -36.885 1.455 1.00 0.00 H new ATOM 1909 N ILE A 123 -27.118 -35.684 -1.578 1.00 0.00 N ATOM 1910 CA ILE A 123 -26.500 -35.502 -2.885 1.00 0.00 C ATOM 1911 C ILE A 123 -25.008 -35.814 -2.836 1.00 0.00 C ATOM 1912 O ILE A 123 -24.434 -36.303 -3.808 1.00 0.00 O ATOM 1913 CB ILE A 123 -26.695 -34.065 -3.406 1.00 0.00 C ATOM 1914 CG1 ILE A 123 -28.161 -33.647 -3.275 1.00 0.00 C ATOM 1915 CG2 ILE A 123 -26.236 -33.959 -4.852 1.00 0.00 C ATOM 1916 CD1 ILE A 123 -28.385 -32.534 -2.275 1.00 0.00 C ATOM 0 H ILE A 123 -27.035 -34.879 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 123 -26.993 -36.197 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 123 -26.088 -33.390 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -28.528 -33.327 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -28.753 -34.514 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -26.380 -32.938 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -25.180 -34.220 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -26.819 -34.643 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -29.446 -32.289 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -28.049 -32.857 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -27.821 -31.652 -2.579 1.00 0.00 H new ATOM 1928 N MET A 124 -24.386 -35.529 -1.696 1.00 0.00 N ATOM 1929 CA MET A 124 -22.961 -35.783 -1.519 1.00 0.00 C ATOM 1930 C MET A 124 -22.630 -36.023 -0.050 1.00 0.00 C ATOM 1931 O MET A 124 -23.498 -35.919 0.817 1.00 0.00 O ATOM 1932 CB MET A 124 -22.142 -34.606 -2.053 1.00 0.00 C ATOM 1933 CG MET A 124 -22.411 -33.299 -1.326 1.00 0.00 C ATOM 1934 SD MET A 124 -22.431 -31.878 -2.436 1.00 0.00 S ATOM 1935 CE MET A 124 -23.378 -30.706 -1.468 1.00 0.00 C ATOM 0 H MET A 124 -24.846 -35.122 -0.882 1.00 0.00 H new ATOM 0 HA MET A 124 -22.704 -36.680 -2.082 1.00 0.00 H new ATOM 0 HB2 MET A 124 -21.082 -34.846 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 124 -22.359 -34.474 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 124 -23.369 -33.365 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 124 -21.647 -33.148 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 124 -23.478 -29.773 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 124 -24.368 -31.116 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 124 -22.866 -30.515 -0.525 1.00 0.00 H new ATOM 1945 N PHE A 125 -21.370 -36.344 0.224 1.00 0.00 N ATOM 1946 CA PHE A 125 -20.925 -36.600 1.589 1.00 0.00 C ATOM 1947 C PHE A 125 -19.875 -35.580 2.019 1.00 0.00 C ATOM 1948 O PHE A 125 -19.075 -35.116 1.205 1.00 0.00 O ATOM 1949 CB PHE A 125 -20.355 -38.015 1.705 1.00 0.00 C ATOM 1950 CG PHE A 125 -21.236 -39.068 1.094 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -22.612 -38.912 1.073 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -20.687 -40.213 0.541 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -23.425 -39.878 0.512 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -21.495 -41.183 -0.022 1.00 0.00 C ATOM 1955 CZ PHE A 125 -22.866 -41.016 -0.036 1.00 0.00 C ATOM 0 H PHE A 125 -20.639 -36.433 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 125 -21.787 -36.508 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -19.378 -38.045 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -20.198 -38.250 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -23.055 -38.024 1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -19.616 -40.349 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -24.497 -39.743 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -21.054 -42.071 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 125 -23.499 -41.773 -0.474 1.00 0.00 H new ATOM 1965 N ILE A 126 -19.885 -35.235 3.302 1.00 0.00 N ATOM 1966 CA ILE A 126 -18.933 -34.271 3.840 1.00 0.00 C ATOM 1967 C ILE A 126 -18.204 -34.837 5.054 1.00 0.00 C ATOM 1968 O ILE A 126 -18.818 -35.434 5.938 1.00 0.00 O ATOM 1969 CB ILE A 126 -19.629 -32.956 4.241 1.00 0.00 C ATOM 1970 CG1 ILE A 126 -18.590 -31.890 4.591 1.00 0.00 C ATOM 1971 CG2 ILE A 126 -20.570 -33.192 5.413 1.00 0.00 C ATOM 1972 CD1 ILE A 126 -17.876 -31.322 3.384 1.00 0.00 C ATOM 0 H ILE A 126 -20.541 -35.608 3.988 1.00 0.00 H new ATOM 0 HA ILE A 126 -18.212 -34.065 3.049 1.00 0.00 H new ATOM 0 HB ILE A 126 -20.216 -32.599 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -19.081 -31.078 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -17.853 -32.321 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -21.054 -32.254 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -21.327 -33.923 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -20.003 -33.568 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -17.154 -30.572 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -17.356 -32.123 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -18.603 -30.861 2.715 1.00 0.00 H new ATOM 1984 N LEU A 127 -16.890 -34.645 5.090 1.00 0.00 N ATOM 1985 CA LEU A 127 -16.075 -35.135 6.196 1.00 0.00 C ATOM 1986 C LEU A 127 -14.973 -34.139 6.543 1.00 0.00 C ATOM 1987 O LEU A 127 -14.477 -33.420 5.677 1.00 0.00 O ATOM 1988 CB LEU A 127 -15.461 -36.490 5.842 1.00 0.00 C ATOM 1989 CG LEU A 127 -14.557 -36.516 4.609 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -13.580 -37.679 4.688 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -15.390 -36.601 3.339 1.00 0.00 C ATOM 0 H LEU A 127 -16.366 -34.153 4.366 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.720 -35.252 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.884 -36.840 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.270 -37.204 5.690 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.984 -35.589 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -12.945 -37.681 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -12.960 -37.574 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.134 -38.616 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -14.730 -36.618 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -15.989 -37.511 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -16.048 -35.734 3.277 1.00 0.00 H new ATOM 2003 N ASN A 128 -14.593 -34.105 7.817 1.00 0.00 N ATOM 2004 CA ASN A 128 -13.548 -33.199 8.278 1.00 0.00 C ATOM 2005 C ASN A 128 -12.585 -33.914 9.221 1.00 0.00 C ATOM 2006 O ASN A 128 -12.970 -34.844 9.931 1.00 0.00 O ATOM 2007 CB ASN A 128 -14.167 -31.990 8.984 1.00 0.00 C ATOM 2008 CG ASN A 128 -15.396 -32.359 9.792 1.00 0.00 C ATOM 2009 OD1 ASN A 128 -15.294 -32.982 10.848 1.00 0.00 O ATOM 2010 ND2 ASN A 128 -16.566 -31.974 9.297 1.00 0.00 N ATOM 0 H ASN A 128 -14.993 -34.694 8.547 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.989 -32.856 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -13.425 -31.538 9.642 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -14.436 -31.238 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -17.428 -32.193 9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -16.603 -31.459 8.417 1.00 0.00 H new ATOM 2017 N PHE A 129 -11.331 -33.473 9.224 1.00 0.00 N ATOM 2018 CA PHE A 129 -10.313 -34.071 10.080 1.00 0.00 C ATOM 2019 C PHE A 129 -9.990 -33.160 11.260 1.00 0.00 C ATOM 2020 O PHE A 129 -10.089 -31.937 11.158 1.00 0.00 O ATOM 2021 CB PHE A 129 -9.042 -34.352 9.275 1.00 0.00 C ATOM 2022 CG PHE A 129 -9.309 -34.915 7.909 1.00 0.00 C ATOM 2023 CD1 PHE A 129 -10.293 -35.872 7.719 1.00 0.00 C ATOM 2024 CD2 PHE A 129 -8.576 -34.487 6.813 1.00 0.00 C ATOM 2025 CE1 PHE A 129 -10.542 -36.392 6.463 1.00 0.00 C ATOM 2026 CE2 PHE A 129 -8.821 -35.003 5.555 1.00 0.00 C ATOM 2027 CZ PHE A 129 -9.804 -35.957 5.379 1.00 0.00 C ATOM 0 H PHE A 129 -10.996 -32.704 8.644 1.00 0.00 H new ATOM 0 HA PHE A 129 -10.706 -35.011 10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -8.474 -33.427 9.173 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -8.417 -35.050 9.831 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -10.873 -36.216 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -7.805 -33.742 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.312 -37.137 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -8.244 -34.660 4.709 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.995 -36.362 4.396 1.00 0.00 H new ATOM 2037 N GLU A 130 -9.605 -33.765 12.379 1.00 0.00 N ATOM 2038 CA GLU A 130 -9.270 -33.007 13.580 1.00 0.00 C ATOM 2039 C GLU A 130 -8.156 -33.695 14.363 1.00 0.00 C ATOM 2040 O GLU A 130 -8.351 -34.774 14.924 1.00 0.00 O ATOM 2041 CB GLU A 130 -10.506 -32.842 14.467 1.00 0.00 C ATOM 2042 CG GLU A 130 -10.182 -32.409 15.887 1.00 0.00 C ATOM 2043 CD GLU A 130 -9.431 -31.092 15.938 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -10.059 -30.042 15.689 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -8.216 -31.112 16.226 1.00 0.00 O ATOM 0 H GLU A 130 -9.517 -34.776 12.480 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.919 -32.022 13.272 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.172 -32.107 14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -11.049 -33.787 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -11.108 -32.317 16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.586 -33.182 16.372 1.00 0.00 H new ATOM 2052 N VAL A 131 -6.987 -33.063 14.397 1.00 0.00 N ATOM 2053 CA VAL A 131 -5.841 -33.613 15.112 1.00 0.00 C ATOM 2054 C VAL A 131 -6.193 -33.916 16.564 1.00 0.00 C ATOM 2055 O VAL A 131 -6.830 -33.109 17.241 1.00 0.00 O ATOM 2056 CB VAL A 131 -4.642 -32.647 15.077 1.00 0.00 C ATOM 2057 CG1 VAL A 131 -5.075 -31.243 15.469 1.00 0.00 C ATOM 2058 CG2 VAL A 131 -3.530 -33.146 15.988 1.00 0.00 C ATOM 0 H VAL A 131 -6.809 -32.170 13.938 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.567 -34.539 14.607 1.00 0.00 H new ATOM 0 HB VAL A 131 -4.257 -32.610 14.058 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.214 -30.575 15.438 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.834 -30.889 14.772 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.487 -31.258 16.478 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.691 -32.452 15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.900 -33.214 17.011 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.201 -34.131 15.655 1.00 0.00 H new ATOM 2068 N VAL A 132 -5.774 -35.086 17.037 1.00 0.00 N ATOM 2069 CA VAL A 132 -6.043 -35.496 18.410 1.00 0.00 C ATOM 2070 C VAL A 132 -4.748 -35.784 19.161 1.00 0.00 C ATOM 2071 O VAL A 132 -4.670 -35.604 20.376 1.00 0.00 O ATOM 2072 CB VAL A 132 -6.940 -36.748 18.456 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -7.254 -37.126 19.895 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -8.219 -36.516 17.665 1.00 0.00 C ATOM 0 H VAL A 132 -5.247 -35.766 16.489 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.563 -34.668 18.892 1.00 0.00 H new ATOM 0 HB VAL A 132 -6.402 -37.577 17.997 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -7.888 -38.012 19.908 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -6.326 -37.336 20.427 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -7.773 -36.301 20.383 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -8.841 -37.410 17.708 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.764 -35.674 18.093 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.970 -36.297 16.627 1.00 0.00 H new ATOM 2084 N MET A 133 -3.733 -36.233 18.429 1.00 0.00 N ATOM 2085 CA MET A 133 -2.440 -36.544 19.027 1.00 0.00 C ATOM 2086 C MET A 133 -1.299 -36.085 18.125 1.00 0.00 C ATOM 2087 O MET A 133 -0.716 -36.883 17.392 1.00 0.00 O ATOM 2088 CB MET A 133 -2.324 -38.047 19.289 1.00 0.00 C ATOM 2089 CG MET A 133 -2.413 -38.416 20.761 1.00 0.00 C ATOM 2090 SD MET A 133 -4.012 -39.121 21.205 1.00 0.00 S ATOM 2091 CE MET A 133 -3.572 -40.070 22.659 1.00 0.00 C ATOM 0 H MET A 133 -3.781 -36.389 17.422 1.00 0.00 H new ATOM 0 HA MET A 133 -2.368 -36.010 19.974 1.00 0.00 H new ATOM 0 HB2 MET A 133 -3.114 -38.564 18.745 1.00 0.00 H new ATOM 0 HB3 MET A 133 -1.375 -38.405 18.890 1.00 0.00 H new ATOM 0 HG2 MET A 133 -1.626 -39.131 21.001 1.00 0.00 H new ATOM 0 HG3 MET A 133 -2.231 -37.528 21.366 1.00 0.00 H new ATOM 0 HE1 MET A 133 -4.459 -40.567 23.051 1.00 0.00 H new ATOM 0 HE2 MET A 133 -2.825 -40.818 22.393 1.00 0.00 H new ATOM 0 HE3 MET A 133 -3.164 -39.403 23.419 1.00 0.00 H new ATOM 2101 N GLU A 134 -0.988 -34.793 18.183 1.00 0.00 N ATOM 2102 CA GLU A 134 0.082 -34.229 17.370 1.00 0.00 C ATOM 2103 C GLU A 134 1.447 -34.519 17.989 1.00 0.00 C ATOM 2104 O GLU A 134 1.972 -33.721 18.765 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.108 -32.719 17.214 1.00 0.00 C ATOM 2106 CG GLU A 134 0.555 -32.147 15.972 1.00 0.00 C ATOM 2107 CD GLU A 134 1.910 -31.533 16.265 1.00 0.00 C ATOM 2108 OE1 GLU A 134 1.960 -30.326 16.581 1.00 0.00 O ATOM 2109 OE2 GLU A 134 2.922 -32.260 16.177 1.00 0.00 O ATOM 0 H GLU A 134 -1.462 -34.119 18.784 1.00 0.00 H new ATOM 0 HA GLU A 134 0.041 -34.697 16.387 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.175 -32.497 17.181 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.295 -32.218 18.094 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.671 -32.937 15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.095 -31.390 15.533 1.00 0.00 H new ATOM 2116 N LYS A 135 2.016 -35.668 17.640 1.00 0.00 N ATOM 2117 CA LYS A 135 3.319 -36.066 18.159 1.00 0.00 C ATOM 2118 C LYS A 135 4.420 -35.161 17.615 1.00 0.00 C ATOM 2119 O LYS A 135 5.379 -34.843 18.318 1.00 0.00 O ATOM 2120 CB LYS A 135 3.614 -37.522 17.794 1.00 0.00 C ATOM 2121 CG LYS A 135 2.416 -38.443 17.953 1.00 0.00 C ATOM 2122 CD LYS A 135 1.810 -38.334 19.342 1.00 0.00 C ATOM 2123 CE LYS A 135 1.748 -39.688 20.031 1.00 0.00 C ATOM 2124 NZ LYS A 135 2.013 -39.580 21.493 1.00 0.00 N ATOM 0 H LYS A 135 1.595 -36.340 16.999 1.00 0.00 H new ATOM 0 HA LYS A 135 3.295 -35.968 19.244 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.961 -37.566 16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.428 -37.887 18.420 1.00 0.00 H new ATOM 0 HG2 LYS A 135 1.663 -38.194 17.206 1.00 0.00 H new ATOM 0 HG3 LYS A 135 2.721 -39.473 17.768 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.401 -37.645 19.945 1.00 0.00 H new ATOM 0 HD3 LYS A 135 0.806 -37.915 19.270 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.765 -40.132 19.872 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.478 -40.359 19.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.962 -40.524 21.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.961 -39.180 21.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.302 -38.960 21.930 1.00 0.00 H new