USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 766 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 61 HIS : no HD1:sc= -3.61! C(o=-5.1!,f=-9.2!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -143:sc= -1.5 (180deg=-2.2!) USER MOD Set 2.1: A 55 SER OG : rot -103:sc= -0.817! USER MOD Set 2.2: A 56 ASN : amide:sc= -0.439 K(o=-1.3,f=-2) USER MOD Single : A 39 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.072) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.25 K(o=-1.3,f=-6.3!) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -1.88! (180deg=-3.28!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -164:sc= -1.64! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.3!) USER MOD Single : A 64 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -151:sc= -0.296 (180deg=-1.07) USER MOD Single : A 77 SER OG : rot -101:sc= 0.232 USER MOD Single : A 80 CYS SG : rot -64:sc= -5.38! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.993 K(o=-0.99,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.84! C(o=-1.8!,f=-5.7!) USER MOD Single : A 99 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.19) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.05 K(o=-2,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -4.45! (180deg=-5.24!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.02 K(o=-1,f=-2.9!) USER MOD Single : A 114 ASN : amide:sc= -0.594 K(o=-0.59,f=-0.082) USER MOD Single : A 115 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.0044) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 126 THR OG1 : rot -130:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.040 1.664 2.885 1.00 0.33 N ATOM 516 CA PRO A 36 -6.455 2.055 1.545 1.00 0.40 C ATOM 517 C PRO A 36 -6.109 0.977 0.530 1.00 0.35 C ATOM 518 O PRO A 36 -6.527 1.030 -0.626 1.00 0.48 O ATOM 519 CB PRO A 36 -5.638 3.315 1.289 1.00 0.47 C ATOM 520 CG PRO A 36 -4.374 3.095 2.045 1.00 0.27 C ATOM 521 CD PRO A 36 -4.731 2.252 3.244 1.00 0.30 C ATOM 0 HA PRO A 36 -7.531 2.209 1.458 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.446 3.455 0.225 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.160 4.206 1.638 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.633 2.591 1.424 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -3.937 4.044 2.355 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -3.983 1.481 3.428 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -4.798 2.854 4.150 1.00 0.30 H new ATOM 529 N ALA A 37 -5.340 -0.002 0.987 1.00 0.27 N ATOM 530 CA ALA A 37 -4.912 -1.107 0.146 1.00 0.31 C ATOM 531 C ALA A 37 -5.959 -2.214 0.102 1.00 0.29 C ATOM 532 O ALA A 37 -5.931 -3.068 -0.782 1.00 0.35 O ATOM 533 CB ALA A 37 -3.588 -1.654 0.653 1.00 0.37 C ATOM 0 H ALA A 37 -4.998 -0.051 1.947 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.785 -0.733 -0.870 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.270 -2.482 0.020 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.835 -0.867 0.626 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.708 -2.006 1.678 1.00 0.37 H new ATOM 539 N GLU A 38 -6.888 -2.193 1.055 1.00 0.28 N ATOM 540 CA GLU A 38 -7.934 -3.207 1.116 1.00 0.30 C ATOM 541 C GLU A 38 -8.704 -3.277 -0.197 1.00 0.25 C ATOM 542 O GLU A 38 -9.168 -4.345 -0.592 1.00 0.25 O ATOM 543 CB GLU A 38 -8.887 -2.937 2.280 1.00 0.38 C ATOM 544 CG GLU A 38 -9.863 -1.799 2.027 1.00 0.39 C ATOM 545 CD GLU A 38 -10.866 -1.630 3.151 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.901 -2.327 3.133 1.00 1.36 O ATOM 547 OE2 GLU A 38 -10.615 -0.801 4.052 1.00 1.46 O ATOM 0 H GLU A 38 -6.937 -1.489 1.791 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.454 -4.171 1.282 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -9.451 -3.845 2.493 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -8.301 -2.709 3.171 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.307 -0.870 1.899 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.396 -1.983 1.094 1.00 0.39 H new ATOM 554 N ASN A 39 -8.851 -2.135 -0.864 1.00 0.28 N ATOM 555 CA ASN A 39 -9.542 -2.098 -2.145 1.00 0.30 C ATOM 556 C ASN A 39 -8.818 -3.008 -3.125 1.00 0.24 C ATOM 557 O ASN A 39 -9.406 -3.939 -3.683 1.00 0.22 O ATOM 558 CB ASN A 39 -9.604 -0.667 -2.685 1.00 0.37 C ATOM 559 CG ASN A 39 -10.552 0.213 -1.891 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.329 1.414 -1.749 1.00 2.04 O ATOM 561 ND2 ASN A 39 -11.621 -0.383 -1.373 1.00 2.00 N ATOM 0 H ASN A 39 -8.504 -1.232 -0.541 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.566 -2.448 -2.013 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -8.605 -0.231 -2.665 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -9.921 -0.689 -3.728 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -12.296 0.159 -0.833 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -11.767 -1.382 -1.516 1.00 2.00 H new ATOM 568 N PHE A 40 -7.529 -2.740 -3.321 1.00 0.23 N ATOM 569 CA PHE A 40 -6.713 -3.558 -4.201 1.00 0.21 C ATOM 570 C PHE A 40 -6.899 -5.020 -3.821 1.00 0.17 C ATOM 571 O PHE A 40 -7.068 -5.886 -4.678 1.00 0.19 O ATOM 572 CB PHE A 40 -5.232 -3.161 -4.087 1.00 0.23 C ATOM 573 CG PHE A 40 -4.312 -4.323 -3.820 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.807 -5.080 -4.864 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.933 -4.638 -2.528 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.941 -6.126 -4.623 1.00 2.32 C ATOM 577 CE2 PHE A 40 -3.072 -5.688 -2.281 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.660 -6.499 -3.333 1.00 2.54 C ATOM 0 H PHE A 40 -7.033 -1.965 -2.882 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.023 -3.403 -5.234 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.924 -2.670 -5.011 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.122 -2.430 -3.286 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.095 -4.848 -5.879 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.315 -4.056 -1.703 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.484 -6.651 -5.449 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.721 -5.879 -1.278 1.00 2.20 H new ATOM 0 HZ PHE A 40 -2.123 -7.415 -3.136 1.00 2.54 H new ATOM 588 N ARG A 41 -6.875 -5.273 -2.515 1.00 0.15 N ATOM 589 CA ARG A 41 -7.045 -6.615 -1.992 1.00 0.18 C ATOM 590 C ARG A 41 -8.384 -7.184 -2.427 1.00 0.21 C ATOM 591 O ARG A 41 -8.502 -8.372 -2.728 1.00 0.25 O ATOM 592 CB ARG A 41 -6.946 -6.610 -0.473 1.00 0.24 C ATOM 593 CG ARG A 41 -5.534 -6.409 0.044 1.00 0.32 C ATOM 594 CD ARG A 41 -5.529 -6.100 1.527 1.00 0.33 C ATOM 595 NE ARG A 41 -4.194 -6.216 2.105 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.938 -6.090 3.405 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.922 -5.841 4.258 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.696 -6.214 3.851 1.00 2.77 N ATOM 0 H ARG A 41 -6.738 -4.558 -1.800 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.250 -7.245 -2.391 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.584 -5.819 -0.078 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.333 -7.554 -0.089 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.944 -7.306 -0.145 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -5.058 -5.594 -0.501 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.907 -5.091 1.688 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -6.207 -6.781 2.041 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.413 -6.404 1.477 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.879 -5.745 3.919 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -4.722 -5.745 5.254 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.936 -6.406 3.198 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -2.500 -6.117 4.847 1.00 2.77 H new ATOM 612 N VAL A 42 -9.397 -6.326 -2.450 1.00 0.21 N ATOM 613 CA VAL A 42 -10.723 -6.737 -2.866 1.00 0.24 C ATOM 614 C VAL A 42 -10.685 -7.250 -4.294 1.00 0.20 C ATOM 615 O VAL A 42 -11.203 -8.319 -4.587 1.00 0.26 O ATOM 616 CB VAL A 42 -11.747 -5.584 -2.743 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.964 -5.837 -3.621 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.169 -5.409 -1.293 1.00 0.35 C ATOM 0 H VAL A 42 -9.321 -5.344 -2.185 1.00 0.21 H new ATOM 0 HA VAL A 42 -11.045 -7.538 -2.200 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.269 -4.666 -3.086 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.667 -5.011 -3.515 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.651 -5.916 -4.662 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.446 -6.766 -3.316 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.890 -4.595 -1.220 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.625 -6.331 -0.933 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.295 -5.176 -0.685 1.00 0.35 H new ATOM 628 N LEU A 43 -10.046 -6.500 -5.181 1.00 0.15 N ATOM 629 CA LEU A 43 -9.960 -6.912 -6.578 1.00 0.15 C ATOM 630 C LEU A 43 -9.150 -8.196 -6.741 1.00 0.12 C ATOM 631 O LEU A 43 -9.504 -9.051 -7.552 1.00 0.14 O ATOM 632 CB LEU A 43 -9.371 -5.799 -7.439 1.00 0.16 C ATOM 633 CG LEU A 43 -10.186 -4.512 -7.439 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.579 -3.522 -6.470 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.271 -3.928 -8.842 1.00 0.24 C ATOM 0 H LEU A 43 -9.585 -5.616 -4.965 1.00 0.15 H new ATOM 0 HA LEU A 43 -10.976 -7.115 -6.917 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.363 -5.578 -7.087 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.279 -6.158 -8.464 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.202 -4.735 -7.115 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.165 -2.603 -6.474 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.579 -3.948 -5.467 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.555 -3.300 -6.770 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.857 -3.009 -8.819 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.267 -3.709 -9.206 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.749 -4.647 -9.507 1.00 0.24 H new ATOM 647 N VAL A 44 -8.068 -8.341 -5.977 1.00 0.11 N ATOM 648 CA VAL A 44 -7.246 -9.543 -6.080 1.00 0.12 C ATOM 649 C VAL A 44 -7.963 -10.747 -5.472 1.00 0.15 C ATOM 650 O VAL A 44 -7.700 -11.890 -5.847 1.00 0.20 O ATOM 651 CB VAL A 44 -5.860 -9.385 -5.415 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.182 -8.108 -5.867 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.962 -9.422 -3.901 1.00 0.14 C ATOM 0 H VAL A 44 -7.746 -7.656 -5.294 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.085 -9.706 -7.146 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.250 -10.231 -5.732 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.209 -8.022 -5.384 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.049 -8.130 -6.949 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.799 -7.252 -5.594 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.969 -9.308 -3.467 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.603 -8.609 -3.560 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.388 -10.375 -3.588 1.00 0.14 H new ATOM 663 N LYS A 45 -8.872 -10.484 -4.535 1.00 0.19 N ATOM 664 CA LYS A 45 -9.626 -11.550 -3.881 1.00 0.26 C ATOM 665 C LYS A 45 -10.982 -11.747 -4.557 1.00 0.27 C ATOM 666 O LYS A 45 -11.665 -12.746 -4.325 1.00 0.32 O ATOM 667 CB LYS A 45 -9.819 -11.239 -2.392 1.00 0.32 C ATOM 668 CG LYS A 45 -10.906 -10.213 -2.114 1.00 0.34 C ATOM 669 CD LYS A 45 -11.059 -9.949 -0.624 1.00 0.42 C ATOM 670 CE LYS A 45 -9.853 -9.217 -0.057 1.00 0.46 C ATOM 671 NZ LYS A 45 -10.019 -8.906 1.390 1.00 0.75 N ATOM 0 H LYS A 45 -9.103 -9.544 -4.213 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.055 -12.474 -3.974 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -10.061 -12.163 -1.866 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.877 -10.876 -1.981 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.667 -9.281 -2.627 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.853 -10.567 -2.521 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.958 -9.359 -0.449 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.191 -10.895 -0.098 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.960 -9.827 -0.197 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.697 -8.291 -0.611 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.175 -8.407 1.737 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.856 -8.303 1.522 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.142 -9.790 1.923 1.00 0.75 H new ATOM 685 N GLN A 46 -11.364 -10.788 -5.398 1.00 0.26 N ATOM 686 CA GLN A 46 -12.635 -10.852 -6.111 1.00 0.31 C ATOM 687 C GLN A 46 -12.406 -10.977 -7.615 1.00 0.34 C ATOM 688 O GLN A 46 -11.267 -11.079 -8.074 1.00 0.38 O ATOM 689 CB GLN A 46 -13.485 -9.607 -5.823 1.00 0.30 C ATOM 690 CG GLN A 46 -13.803 -9.397 -4.351 1.00 0.30 C ATOM 691 CD GLN A 46 -14.716 -10.465 -3.778 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.714 -11.613 -4.222 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.507 -10.090 -2.778 1.00 1.27 N ATOM 0 H GLN A 46 -10.809 -9.957 -5.602 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.169 -11.735 -5.758 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.961 -8.728 -6.199 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.420 -9.683 -6.378 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.872 -9.381 -3.784 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.271 -8.421 -4.223 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -15.479 -9.129 -2.438 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.142 -10.764 -2.350 1.00 1.27 H new ATOM 702 N LYS A 47 -13.495 -10.970 -8.374 1.00 0.40 N ATOM 703 CA LYS A 47 -13.422 -11.073 -9.828 1.00 0.46 C ATOM 704 C LYS A 47 -13.149 -9.706 -10.442 1.00 0.42 C ATOM 705 O LYS A 47 -12.979 -9.577 -11.655 1.00 0.47 O ATOM 706 CB LYS A 47 -14.736 -11.620 -10.378 1.00 0.52 C ATOM 707 CG LYS A 47 -15.906 -10.669 -10.181 1.00 0.53 C ATOM 708 CD LYS A 47 -17.208 -11.251 -10.715 1.00 0.85 C ATOM 709 CE LYS A 47 -17.854 -12.200 -9.716 1.00 1.64 C ATOM 710 NZ LYS A 47 -17.022 -13.411 -9.469 1.00 2.55 N ATOM 0 H LYS A 47 -14.443 -10.894 -8.006 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.608 -11.751 -10.087 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.619 -11.828 -11.442 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -14.960 -12.569 -9.890 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.017 -10.445 -9.120 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.696 -9.726 -10.686 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.900 -10.441 -10.947 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -17.014 -11.781 -11.647 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.018 -11.676 -8.774 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.833 -12.504 -10.087 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -17.629 -14.187 -9.136 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -16.551 -13.694 -10.352 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -16.305 -13.198 -8.747 1.00 2.55 H new ATOM 724 N LYS A 48 -13.119 -8.692 -9.584 1.00 0.36 N ATOM 725 CA LYS A 48 -12.887 -7.315 -10.006 1.00 0.40 C ATOM 726 C LYS A 48 -11.713 -7.203 -10.980 1.00 0.53 C ATOM 727 O LYS A 48 -11.907 -7.143 -12.195 1.00 1.19 O ATOM 728 CB LYS A 48 -12.627 -6.443 -8.778 1.00 0.32 C ATOM 729 CG LYS A 48 -13.534 -5.229 -8.677 1.00 0.73 C ATOM 730 CD LYS A 48 -14.938 -5.612 -8.240 1.00 0.46 C ATOM 731 CE LYS A 48 -14.974 -6.003 -6.770 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.361 -6.261 -6.296 1.00 1.46 N ATOM 0 H LYS A 48 -13.254 -8.801 -8.579 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.780 -6.971 -10.529 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.750 -7.051 -7.881 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.590 -6.108 -8.796 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.113 -4.518 -7.966 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -13.578 -4.726 -9.643 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -15.615 -4.776 -8.412 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.296 -6.443 -8.848 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.367 -6.895 -6.617 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.529 -5.208 -6.172 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -16.341 -6.524 -5.290 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.935 -5.402 -6.418 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.778 -7.037 -6.849 1.00 1.46 H new ATOM 746 N ALA A 49 -10.497 -7.169 -10.438 1.00 0.26 N ATOM 747 CA ALA A 49 -9.294 -7.048 -11.254 1.00 0.22 C ATOM 748 C ALA A 49 -8.268 -8.114 -10.899 1.00 0.20 C ATOM 749 O ALA A 49 -8.459 -8.890 -9.962 1.00 0.24 O ATOM 750 CB ALA A 49 -8.675 -5.676 -11.071 1.00 0.21 C ATOM 0 H ALA A 49 -10.320 -7.224 -9.435 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.588 -7.186 -12.295 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -7.778 -5.597 -11.685 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.390 -4.911 -11.373 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.412 -5.533 -10.023 1.00 0.21 H new ATOM 756 N SER A 50 -7.181 -8.144 -11.657 1.00 0.21 N ATOM 757 CA SER A 50 -6.103 -9.088 -11.412 1.00 0.21 C ATOM 758 C SER A 50 -5.146 -8.507 -10.383 1.00 0.18 C ATOM 759 O SER A 50 -5.224 -7.323 -10.059 1.00 0.19 O ATOM 760 CB SER A 50 -5.359 -9.401 -12.711 1.00 0.25 C ATOM 761 OG SER A 50 -5.024 -8.213 -13.403 1.00 0.27 O ATOM 0 H SER A 50 -7.023 -7.522 -12.450 1.00 0.21 H new ATOM 0 HA SER A 50 -6.524 -10.017 -11.028 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.453 -9.964 -12.488 1.00 0.25 H new ATOM 0 HB3 SER A 50 -5.979 -10.033 -13.346 1.00 0.25 H new ATOM 0 HG SER A 50 -4.785 -8.430 -14.328 1.00 0.27 H new ATOM 767 N PHE A 51 -4.251 -9.334 -9.865 1.00 0.19 N ATOM 768 CA PHE A 51 -3.290 -8.878 -8.872 1.00 0.20 C ATOM 769 C PHE A 51 -2.438 -7.743 -9.426 1.00 0.23 C ATOM 770 O PHE A 51 -1.792 -7.016 -8.673 1.00 0.26 O ATOM 771 CB PHE A 51 -2.410 -10.042 -8.418 1.00 0.23 C ATOM 772 CG PHE A 51 -1.621 -9.737 -7.184 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.212 -9.823 -5.936 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.295 -9.356 -7.270 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.496 -9.534 -4.795 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.427 -9.065 -6.131 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.173 -9.153 -4.892 1.00 0.43 C ATOM 0 H PHE A 51 -4.170 -10.320 -10.114 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.837 -8.498 -8.009 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.038 -10.914 -8.234 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.725 -10.307 -9.223 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.247 -10.120 -5.855 1.00 0.98 H new ATOM 0 HD2 PHE A 51 0.180 -9.286 -8.237 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.969 -9.605 -3.827 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.462 -8.768 -6.209 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.391 -8.924 -4.000 1.00 0.43 H new ATOM 787 N GLU A 52 -2.444 -7.595 -10.745 1.00 0.25 N ATOM 788 CA GLU A 52 -1.672 -6.546 -11.395 1.00 0.28 C ATOM 789 C GLU A 52 -2.453 -5.232 -11.467 1.00 0.25 C ATOM 790 O GLU A 52 -1.958 -4.193 -11.037 1.00 0.28 O ATOM 791 CB GLU A 52 -1.219 -7.011 -12.783 1.00 0.33 C ATOM 792 CG GLU A 52 -2.209 -6.738 -13.906 1.00 0.35 C ATOM 793 CD GLU A 52 -1.692 -7.184 -15.258 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.818 -8.385 -15.576 1.00 0.80 O ATOM 795 OE2 GLU A 52 -1.163 -6.331 -16.001 1.00 0.83 O ATOM 0 H GLU A 52 -2.974 -8.188 -11.384 1.00 0.25 H new ATOM 0 HA GLU A 52 -0.785 -6.349 -10.792 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.275 -6.522 -13.024 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.022 -8.082 -12.745 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.146 -7.251 -13.692 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.430 -5.671 -13.939 1.00 0.35 H new ATOM 802 N GLU A 53 -3.668 -5.277 -12.011 1.00 0.24 N ATOM 803 CA GLU A 53 -4.502 -4.084 -12.120 1.00 0.23 C ATOM 804 C GLU A 53 -4.868 -3.581 -10.738 1.00 0.19 C ATOM 805 O GLU A 53 -4.891 -2.376 -10.483 1.00 0.21 O ATOM 806 CB GLU A 53 -5.774 -4.393 -12.912 1.00 0.27 C ATOM 807 CG GLU A 53 -6.804 -3.278 -12.871 1.00 1.06 C ATOM 808 CD GLU A 53 -7.912 -3.468 -13.886 1.00 1.05 C ATOM 809 OE1 GLU A 53 -7.667 -3.222 -15.087 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.026 -3.862 -13.483 1.00 1.23 O ATOM 0 H GLU A 53 -4.095 -6.126 -12.382 1.00 0.24 H new ATOM 0 HA GLU A 53 -3.939 -3.313 -12.646 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -5.506 -4.590 -13.950 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.223 -5.305 -12.520 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.237 -3.226 -11.872 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.309 -2.324 -13.054 1.00 1.06 H new ATOM 817 N ALA A 54 -5.166 -4.519 -9.856 1.00 0.19 N ATOM 818 CA ALA A 54 -5.523 -4.197 -8.490 1.00 0.16 C ATOM 819 C ALA A 54 -4.365 -3.502 -7.793 1.00 0.18 C ATOM 820 O ALA A 54 -4.530 -2.425 -7.214 1.00 0.17 O ATOM 821 CB ALA A 54 -5.914 -5.462 -7.752 1.00 0.16 C ATOM 0 H ALA A 54 -5.167 -5.517 -10.066 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.375 -3.517 -8.492 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.182 -5.216 -6.725 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.767 -5.924 -8.249 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.074 -6.157 -7.751 1.00 0.16 H new ATOM 827 N SER A 55 -3.184 -4.116 -7.858 1.00 0.26 N ATOM 828 CA SER A 55 -2.009 -3.531 -7.239 1.00 0.31 C ATOM 829 C SER A 55 -1.688 -2.225 -7.931 1.00 0.33 C ATOM 830 O SER A 55 -1.173 -1.292 -7.324 1.00 0.39 O ATOM 831 CB SER A 55 -0.818 -4.477 -7.332 1.00 0.43 C ATOM 832 OG SER A 55 -0.427 -4.665 -8.681 1.00 1.20 O ATOM 0 H SER A 55 -3.022 -5.007 -8.328 1.00 0.26 H new ATOM 0 HA SER A 55 -2.215 -3.352 -6.184 1.00 0.31 H new ATOM 0 HB2 SER A 55 0.017 -4.074 -6.760 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.076 -5.438 -6.886 1.00 0.43 H new ATOM 0 HG SER A 55 -0.739 -5.540 -8.993 1.00 1.20 H new ATOM 838 N ASN A 56 -2.011 -2.171 -9.216 1.00 0.32 N ATOM 839 CA ASN A 56 -1.781 -0.982 -10.013 1.00 0.35 C ATOM 840 C ASN A 56 -2.614 0.168 -9.477 1.00 0.30 C ATOM 841 O ASN A 56 -2.135 1.295 -9.381 1.00 0.34 O ATOM 842 CB ASN A 56 -2.113 -1.257 -11.487 1.00 0.40 C ATOM 843 CG ASN A 56 -0.912 -1.762 -12.264 1.00 0.49 C ATOM 844 OD1 ASN A 56 -0.026 -2.411 -11.707 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.875 -1.463 -13.557 1.00 1.19 N ATOM 0 H ASN A 56 -2.436 -2.944 -9.728 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.728 -0.707 -9.948 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -2.916 -1.992 -11.545 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.484 -0.343 -11.950 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -0.090 -1.774 -14.130 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -1.631 -0.923 -13.977 1.00 1.19 H new ATOM 852 N GLN A 57 -3.858 -0.127 -9.116 1.00 0.25 N ATOM 853 CA GLN A 57 -4.748 0.883 -8.564 1.00 0.24 C ATOM 854 C GLN A 57 -4.294 1.250 -7.158 1.00 0.20 C ATOM 855 O GLN A 57 -4.489 2.376 -6.706 1.00 0.19 O ATOM 856 CB GLN A 57 -6.189 0.372 -8.540 1.00 0.27 C ATOM 857 CG GLN A 57 -7.178 1.372 -7.959 1.00 0.85 C ATOM 858 CD GLN A 57 -8.614 0.892 -8.046 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.116 0.231 -7.137 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.284 1.227 -9.142 1.00 1.57 N ATOM 0 H GLN A 57 -4.271 -1.056 -9.196 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.711 1.771 -9.195 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.494 0.120 -9.556 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.230 -0.548 -7.957 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.925 1.563 -6.916 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.083 2.320 -8.488 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.828 1.776 -9.871 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.255 0.935 -9.255 1.00 1.57 H new ATOM 869 N LEU A 58 -3.694 0.282 -6.465 1.00 0.19 N ATOM 870 CA LEU A 58 -3.191 0.516 -5.115 1.00 0.17 C ATOM 871 C LEU A 58 -2.027 1.498 -5.162 1.00 0.17 C ATOM 872 O LEU A 58 -2.068 2.552 -4.525 1.00 0.18 O ATOM 873 CB LEU A 58 -2.734 -0.802 -4.463 1.00 0.19 C ATOM 874 CG LEU A 58 -2.863 -0.892 -2.926 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.788 -1.800 -2.351 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.779 0.482 -2.277 1.00 0.20 C ATOM 0 H LEU A 58 -3.546 -0.665 -6.815 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.998 0.935 -4.515 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.309 -1.617 -4.902 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.690 -0.970 -4.728 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.844 -1.314 -2.706 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.896 -1.850 -1.267 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.892 -2.800 -2.773 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.804 -1.402 -2.600 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.874 0.380 -1.196 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.819 0.939 -2.516 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.585 1.112 -2.654 1.00 0.20 H new ATOM 888 N ILE A 59 -0.995 1.158 -5.933 1.00 0.19 N ATOM 889 CA ILE A 59 0.168 2.023 -6.046 1.00 0.20 C ATOM 890 C ILE A 59 -0.242 3.348 -6.679 1.00 0.18 C ATOM 891 O ILE A 59 0.309 4.402 -6.363 1.00 0.16 O ATOM 892 CB ILE A 59 1.286 1.387 -6.900 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.446 -0.103 -6.571 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.592 2.129 -6.679 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.773 -0.949 -7.779 1.00 0.38 C ATOM 0 H ILE A 59 -0.944 0.299 -6.481 1.00 0.19 H new ATOM 0 HA ILE A 59 0.557 2.179 -5.040 1.00 0.20 H new ATOM 0 HB ILE A 59 1.009 1.468 -7.951 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.235 -0.221 -5.829 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.525 -0.469 -6.118 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.376 1.674 -7.285 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.470 3.173 -6.967 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.869 2.073 -5.626 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.873 -1.992 -7.477 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.973 -0.859 -8.514 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.710 -0.608 -8.219 1.00 0.38 H new ATOM 907 N ASN A 60 -1.216 3.280 -7.589 1.00 0.20 N ATOM 908 CA ASN A 60 -1.727 4.471 -8.261 1.00 0.20 C ATOM 909 C ASN A 60 -2.316 5.423 -7.234 1.00 0.17 C ATOM 910 O ASN A 60 -2.006 6.617 -7.222 1.00 0.18 O ATOM 911 CB ASN A 60 -2.789 4.091 -9.289 1.00 0.22 C ATOM 912 CG ASN A 60 -2.207 3.822 -10.663 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.174 4.377 -11.033 1.00 0.81 O ATOM 914 ND2 ASN A 60 -2.872 2.967 -11.430 1.00 1.05 N ATOM 0 H ASN A 60 -1.665 2.411 -7.876 1.00 0.20 H new ATOM 0 HA ASN A 60 -0.904 4.963 -8.780 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.321 3.204 -8.945 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.522 4.894 -9.361 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -2.530 2.748 -12.366 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -3.725 2.529 -11.084 1.00 1.05 H new ATOM 921 N HIS A 61 -3.179 4.888 -6.377 1.00 0.16 N ATOM 922 CA HIS A 61 -3.784 5.678 -5.323 1.00 0.16 C ATOM 923 C HIS A 61 -2.669 6.269 -4.475 1.00 0.13 C ATOM 924 O HIS A 61 -2.744 7.411 -4.007 1.00 0.12 O ATOM 925 CB HIS A 61 -4.722 4.797 -4.497 1.00 0.20 C ATOM 926 CG HIS A 61 -4.497 4.880 -3.027 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.431 4.279 -2.409 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.201 5.498 -2.052 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.482 4.521 -1.117 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.546 5.261 -0.872 1.00 0.30 N ATOM 0 H HIS A 61 -3.472 3.911 -6.395 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.381 6.492 -5.735 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.752 5.080 -4.713 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.603 3.761 -4.814 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.108 6.070 -2.179 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.772 4.173 -0.381 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.834 5.601 0.045 1.00 0.30 H new ATOM 939 N ILE A 62 -1.622 5.470 -4.304 1.00 0.14 N ATOM 940 CA ILE A 62 -0.456 5.889 -3.556 1.00 0.13 C ATOM 941 C ILE A 62 0.242 7.032 -4.280 1.00 0.11 C ATOM 942 O ILE A 62 0.859 7.885 -3.655 1.00 0.12 O ATOM 943 CB ILE A 62 0.528 4.725 -3.363 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.094 3.662 -2.460 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.846 5.229 -2.797 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.243 4.085 -1.013 1.00 0.75 C ATOM 0 H ILE A 62 -1.563 4.523 -4.678 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.788 6.225 -2.574 1.00 0.13 H new ATOM 0 HB ILE A 62 0.737 4.271 -4.332 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.076 3.398 -2.852 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.519 2.762 -2.502 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.530 4.391 -2.667 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.284 5.952 -3.485 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.669 5.706 -1.833 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.692 3.273 -0.441 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.738 4.320 -0.600 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.882 4.966 -0.955 1.00 0.75 H new ATOM 958 N GLU A 63 0.153 7.032 -5.610 1.00 0.12 N ATOM 959 CA GLU A 63 0.751 8.098 -6.401 1.00 0.13 C ATOM 960 C GLU A 63 -0.015 9.388 -6.156 1.00 0.12 C ATOM 961 O GLU A 63 0.576 10.464 -6.058 1.00 0.11 O ATOM 962 CB GLU A 63 0.756 7.743 -7.887 1.00 0.17 C ATOM 963 CG GLU A 63 1.710 6.611 -8.230 1.00 0.17 C ATOM 964 CD GLU A 63 1.746 6.305 -9.714 1.00 0.21 C ATOM 965 OE1 GLU A 63 0.676 5.999 -10.282 1.00 0.70 O ATOM 966 OE2 GLU A 63 2.842 6.370 -10.307 1.00 0.80 O ATOM 0 H GLU A 63 -0.323 6.312 -6.154 1.00 0.12 H new ATOM 0 HA GLU A 63 1.789 8.230 -6.096 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.253 7.463 -8.190 1.00 0.17 H new ATOM 0 HB3 GLU A 63 1.029 8.627 -8.464 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.713 6.872 -7.893 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.414 5.714 -7.685 1.00 0.17 H new ATOM 973 N GLN A 64 -1.340 9.269 -6.061 1.00 0.14 N ATOM 974 CA GLN A 64 -2.185 10.424 -5.774 1.00 0.14 C ATOM 975 C GLN A 64 -1.711 11.035 -4.463 1.00 0.11 C ATOM 976 O GLN A 64 -1.426 12.239 -4.371 1.00 0.10 O ATOM 977 CB GLN A 64 -3.653 9.999 -5.675 1.00 0.18 C ATOM 978 CG GLN A 64 -4.635 11.160 -5.606 1.00 0.91 C ATOM 979 CD GLN A 64 -4.665 11.829 -4.245 1.00 1.57 C ATOM 980 OE1 GLN A 64 -3.953 12.804 -4.003 1.00 2.40 O ATOM 981 NE2 GLN A 64 -5.489 11.305 -3.344 1.00 2.11 N ATOM 0 H GLN A 64 -1.846 8.391 -6.178 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.110 11.158 -6.576 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.899 9.380 -6.538 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.781 9.377 -4.789 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.370 11.899 -6.362 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -5.634 10.799 -5.850 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.062 10.496 -3.586 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -5.549 11.711 -2.410 1.00 2.11 H new ATOM 990 N PHE A 65 -1.624 10.194 -3.440 1.00 0.11 N ATOM 991 CA PHE A 65 -1.134 10.652 -2.157 1.00 0.11 C ATOM 992 C PHE A 65 0.250 11.268 -2.360 1.00 0.10 C ATOM 993 O PHE A 65 0.509 12.390 -1.943 1.00 0.12 O ATOM 994 CB PHE A 65 -1.058 9.499 -1.147 1.00 0.14 C ATOM 995 CG PHE A 65 0.280 9.410 -0.479 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.725 10.428 0.351 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.109 8.338 -0.725 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.973 10.368 0.925 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.360 8.278 -0.160 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.791 9.293 0.665 1.00 0.16 C ATOM 0 H PHE A 65 -1.883 9.208 -3.476 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.823 11.394 -1.754 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.831 9.632 -0.390 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.270 8.559 -1.657 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.085 11.276 0.548 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.773 7.538 -1.368 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.309 11.161 1.577 1.00 0.18 H new ATOM 0 HE2 PHE A 65 3.005 7.436 -0.363 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.774 9.245 1.109 1.00 0.16 H new ATOM 1010 N LEU A 66 1.138 10.518 -3.009 1.00 0.09 N ATOM 1011 CA LEU A 66 2.492 10.990 -3.254 1.00 0.10 C ATOM 1012 C LEU A 66 2.455 12.311 -4.010 1.00 0.11 C ATOM 1013 O LEU A 66 3.427 13.062 -4.018 1.00 0.17 O ATOM 1014 CB LEU A 66 3.316 9.933 -4.000 1.00 0.11 C ATOM 1015 CG LEU A 66 3.857 8.801 -3.114 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.548 7.742 -3.955 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.817 9.343 -2.057 1.00 0.08 C ATOM 0 H LEU A 66 0.942 9.585 -3.372 1.00 0.09 H new ATOM 0 HA LEU A 66 2.983 11.162 -2.296 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.698 9.498 -4.786 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.156 10.426 -4.490 1.00 0.11 H new ATOM 0 HG LEU A 66 3.009 8.343 -2.605 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.923 6.950 -3.307 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.837 7.322 -4.667 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.380 8.193 -4.496 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.185 8.520 -1.444 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.658 9.835 -2.547 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.295 10.061 -1.425 1.00 0.08 H new ATOM 1029 N ASP A 67 1.323 12.590 -4.652 1.00 0.09 N ATOM 1030 CA ASP A 67 1.160 13.853 -5.347 1.00 0.10 C ATOM 1031 C ASP A 67 0.957 14.939 -4.300 1.00 0.11 C ATOM 1032 O ASP A 67 1.475 16.049 -4.431 1.00 0.13 O ATOM 1033 CB ASP A 67 -0.022 13.813 -6.320 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.109 15.064 -7.173 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.574 15.118 -8.218 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.862 15.987 -6.797 1.00 0.17 O ATOM 0 H ASP A 67 0.519 11.965 -4.703 1.00 0.09 H new ATOM 0 HA ASP A 67 2.049 14.058 -5.943 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.072 12.941 -6.967 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.948 13.694 -5.758 1.00 0.11 H new ATOM 1041 N THR A 68 0.194 14.604 -3.252 1.00 0.10 N ATOM 1042 CA THR A 68 -0.033 15.545 -2.151 1.00 0.12 C ATOM 1043 C THR A 68 1.274 15.805 -1.400 1.00 0.13 C ATOM 1044 O THR A 68 2.327 15.289 -1.779 1.00 0.13 O ATOM 1045 CB THR A 68 -1.109 15.049 -1.147 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.721 16.171 -0.502 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.518 14.126 -0.082 1.00 0.13 C ATOM 0 H THR A 68 -0.270 13.702 -3.144 1.00 0.10 H new ATOM 0 HA THR A 68 -0.402 16.467 -2.601 1.00 0.12 H new ATOM 0 HB THR A 68 -1.848 14.483 -1.715 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.400 15.855 0.129 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.306 13.804 0.598 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.074 13.254 -0.562 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.248 14.661 0.479 1.00 0.13 H new ATOM 1055 N ASN A 69 1.202 16.603 -0.340 1.00 0.15 N ATOM 1056 CA ASN A 69 2.385 16.930 0.453 1.00 0.17 C ATOM 1057 C ASN A 69 2.295 16.354 1.867 1.00 0.18 C ATOM 1058 O ASN A 69 3.182 16.570 2.694 1.00 0.20 O ATOM 1059 CB ASN A 69 2.555 18.444 0.518 1.00 0.19 C ATOM 1060 CG ASN A 69 3.069 19.026 -0.784 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.290 19.400 -1.660 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.388 19.104 -0.917 1.00 1.16 N ATOM 0 H ASN A 69 0.339 17.035 -0.009 1.00 0.15 H new ATOM 0 HA ASN A 69 3.251 16.481 -0.033 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.598 18.904 0.765 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.246 18.695 1.323 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.793 19.486 -1.772 1.00 1.16 H new ATOM 0 HD22 ASN A 69 4.996 18.782 -0.164 1.00 1.16 H new ATOM 1069 N GLU A 70 1.222 15.621 2.133 1.00 0.17 N ATOM 1070 CA GLU A 70 1.000 15.017 3.445 1.00 0.19 C ATOM 1071 C GLU A 70 1.814 13.733 3.606 1.00 0.17 C ATOM 1072 O GLU A 70 1.998 12.990 2.643 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.489 14.703 3.621 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.409 15.773 3.052 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.680 16.895 4.035 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.618 16.758 4.849 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -0.954 17.910 3.992 1.00 0.76 O ATOM 0 H GLU A 70 0.486 15.428 1.454 1.00 0.17 H new ATOM 0 HA GLU A 70 1.323 15.727 4.207 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.710 13.751 3.138 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.703 14.579 4.683 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.962 16.187 2.148 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.354 15.316 2.759 1.00 0.22 H new ATOM 1084 N THR A 71 2.302 13.474 4.822 1.00 0.12 N ATOM 1085 CA THR A 71 3.079 12.263 5.080 1.00 0.10 C ATOM 1086 C THR A 71 2.349 11.225 5.941 1.00 0.13 C ATOM 1087 O THR A 71 2.816 10.098 6.028 1.00 0.13 O ATOM 1088 CB THR A 71 4.440 12.548 5.734 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.270 13.365 6.898 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.378 13.231 4.751 1.00 0.11 C ATOM 0 H THR A 71 2.174 14.079 5.633 1.00 0.12 H new ATOM 0 HA THR A 71 3.229 11.848 4.083 1.00 0.10 H new ATOM 0 HB THR A 71 4.882 11.597 6.030 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.144 13.538 7.307 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.335 13.423 5.235 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.532 12.585 3.886 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.940 14.175 4.426 1.00 0.11 H new ATOM 1098 N PRO A 72 1.226 11.539 6.625 1.00 0.17 N ATOM 1099 CA PRO A 72 0.534 10.514 7.400 1.00 0.23 C ATOM 1100 C PRO A 72 0.304 9.299 6.521 1.00 0.17 C ATOM 1101 O PRO A 72 0.213 8.162 6.982 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.802 11.160 7.748 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.533 12.618 7.728 1.00 0.32 C ATOM 1104 CD PRO A 72 0.555 12.846 6.710 1.00 0.18 C ATOM 0 HA PRO A 72 1.087 10.189 8.281 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.572 10.890 7.026 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.155 10.836 8.727 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.433 13.174 7.463 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.221 12.967 8.712 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.146 13.150 5.747 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.243 13.630 7.026 1.00 0.18 H new ATOM 1112 N TYR A 73 0.213 9.596 5.233 1.00 0.16 N ATOM 1113 CA TYR A 73 -0.016 8.613 4.195 1.00 0.16 C ATOM 1114 C TYR A 73 1.290 8.009 3.652 1.00 0.13 C ATOM 1115 O TYR A 73 1.248 6.986 2.980 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.813 9.278 3.067 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.022 10.054 3.555 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.749 9.634 4.664 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.435 11.210 2.905 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.851 10.343 5.107 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.536 11.923 3.342 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.239 11.485 4.443 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.335 12.192 4.881 1.00 0.50 O ATOM 0 H TYR A 73 0.299 10.548 4.877 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.578 7.783 4.624 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.156 9.952 2.518 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.142 8.512 2.365 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.448 8.739 5.188 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.886 11.558 2.043 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.404 10.002 5.970 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.843 12.819 2.823 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.473 12.972 4.304 1.00 0.50 H new ATOM 1133 N PHE A 74 2.445 8.646 3.916 1.00 0.11 N ATOM 1134 CA PHE A 74 3.722 8.128 3.401 1.00 0.10 C ATOM 1135 C PHE A 74 4.155 6.851 4.119 1.00 0.09 C ATOM 1136 O PHE A 74 4.635 5.905 3.484 1.00 0.08 O ATOM 1137 CB PHE A 74 4.814 9.236 3.356 1.00 0.11 C ATOM 1138 CG PHE A 74 5.739 9.422 4.541 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.274 9.103 5.811 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.043 9.862 4.416 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.085 9.229 6.920 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.862 9.985 5.524 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.496 9.859 6.657 1.00 0.17 C ATOM 0 H PHE A 74 2.520 9.500 4.469 1.00 0.11 H new ATOM 0 HA PHE A 74 3.569 7.829 2.364 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.437 9.045 2.482 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.308 10.186 3.185 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.260 8.750 5.932 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.428 10.114 3.439 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.769 8.915 7.904 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.905 10.210 5.355 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.123 10.172 7.479 1.00 0.17 H new ATOM 1153 N MET A 75 3.957 6.791 5.424 1.00 0.09 N ATOM 1154 CA MET A 75 4.285 5.582 6.157 1.00 0.09 C ATOM 1155 C MET A 75 3.177 4.588 5.877 1.00 0.09 C ATOM 1156 O MET A 75 3.392 3.378 5.788 1.00 0.11 O ATOM 1157 CB MET A 75 4.420 5.849 7.659 1.00 0.14 C ATOM 1158 CG MET A 75 3.882 7.197 8.106 1.00 0.30 C ATOM 1159 SD MET A 75 3.282 7.185 9.807 1.00 0.52 S ATOM 1160 CE MET A 75 1.918 6.030 9.678 1.00 1.81 C ATOM 0 H MET A 75 3.578 7.551 5.989 1.00 0.09 H new ATOM 0 HA MET A 75 5.250 5.192 5.834 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.897 5.063 8.204 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.472 5.782 7.935 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.668 7.946 8.009 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.071 7.497 7.442 1.00 0.30 H new ATOM 0 HE1 MET A 75 1.160 6.278 10.421 1.00 1.81 H new ATOM 0 HE2 MET A 75 1.482 6.092 8.681 1.00 1.81 H new ATOM 0 HE3 MET A 75 2.281 5.017 9.853 1.00 1.81 H new ATOM 1170 N LYS A 76 1.979 5.136 5.719 1.00 0.09 N ATOM 1171 CA LYS A 76 0.815 4.346 5.388 1.00 0.10 C ATOM 1172 C LYS A 76 0.985 3.831 3.966 1.00 0.10 C ATOM 1173 O LYS A 76 0.424 2.803 3.584 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.447 5.194 5.518 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.725 4.458 5.162 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.551 5.235 4.152 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.767 5.496 2.876 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.633 6.033 1.791 1.00 0.96 N ATOM 0 H LYS A 76 1.794 6.134 5.817 1.00 0.09 H new ATOM 0 HA LYS A 76 0.716 3.503 6.072 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.523 5.559 6.542 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.352 6.069 4.875 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.480 3.477 4.756 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.314 4.291 6.064 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.458 4.678 3.916 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.864 6.183 4.589 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.963 6.203 3.082 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.299 4.570 2.542 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -2.329 5.640 0.878 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.622 5.766 1.972 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -2.554 7.070 1.765 1.00 0.96 H new ATOM 1192 N SER A 77 1.774 4.570 3.178 1.00 0.09 N ATOM 1193 CA SER A 77 2.072 4.171 1.813 1.00 0.09 C ATOM 1194 C SER A 77 2.928 2.935 1.898 1.00 0.08 C ATOM 1195 O SER A 77 2.684 1.942 1.219 1.00 0.09 O ATOM 1196 CB SER A 77 2.820 5.265 1.050 1.00 0.10 C ATOM 1197 OG SER A 77 4.220 5.114 1.183 1.00 0.10 O ATOM 0 H SER A 77 2.213 5.444 3.468 1.00 0.09 H new ATOM 0 HA SER A 77 1.144 3.987 1.272 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.546 5.229 -0.004 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.520 6.244 1.424 1.00 0.10 H new ATOM 0 HG SER A 77 4.556 5.749 1.850 1.00 0.10 H new ATOM 1203 N ILE A 78 3.947 3.011 2.752 1.00 0.09 N ATOM 1204 CA ILE A 78 4.811 1.871 2.974 1.00 0.09 C ATOM 1205 C ILE A 78 3.942 0.687 3.366 1.00 0.11 C ATOM 1206 O ILE A 78 4.198 -0.448 2.975 1.00 0.12 O ATOM 1207 CB ILE A 78 5.868 2.151 4.075 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.257 1.784 3.569 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.557 1.390 5.355 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.703 2.644 2.416 1.00 0.13 C ATOM 0 H ILE A 78 4.187 3.843 3.292 1.00 0.09 H new ATOM 0 HA ILE A 78 5.360 1.658 2.057 1.00 0.09 H new ATOM 0 HB ILE A 78 5.838 3.216 4.306 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.973 1.879 4.385 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.262 0.739 3.260 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.318 1.610 6.103 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.580 1.694 5.731 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.550 0.320 5.149 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.699 2.337 2.097 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.005 2.530 1.586 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.728 3.688 2.729 1.00 0.13 H new ATOM 1222 N ASP A 79 2.896 0.983 4.137 1.00 0.11 N ATOM 1223 CA ASP A 79 1.957 -0.034 4.579 1.00 0.13 C ATOM 1224 C ASP A 79 1.226 -0.650 3.391 1.00 0.13 C ATOM 1225 O ASP A 79 1.023 -1.862 3.346 1.00 0.16 O ATOM 1226 CB ASP A 79 0.958 0.558 5.574 1.00 0.13 C ATOM 1227 CG ASP A 79 1.445 0.473 7.008 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.200 -0.565 7.657 1.00 0.68 O ATOM 1229 OD2 ASP A 79 2.073 1.444 7.480 1.00 0.69 O ATOM 0 H ASP A 79 2.682 1.924 4.467 1.00 0.11 H new ATOM 0 HA ASP A 79 2.519 -0.823 5.079 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.771 1.601 5.319 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.007 0.033 5.485 1.00 0.13 H new ATOM 1234 N CYS A 80 0.814 0.184 2.433 1.00 0.14 N ATOM 1235 CA CYS A 80 0.136 -0.323 1.243 1.00 0.16 C ATOM 1236 C CYS A 80 1.066 -1.300 0.547 1.00 0.14 C ATOM 1237 O CYS A 80 0.657 -2.375 0.081 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.221 0.807 0.281 1.00 0.23 C ATOM 1239 SG CYS A 80 1.055 1.133 -0.958 1.00 0.65 S ATOM 0 H CYS A 80 0.936 1.196 2.458 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.791 -0.811 1.544 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.154 0.560 -0.226 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.401 1.717 0.853 1.00 0.23 H new ATOM 0 HG CYS A 80 2.133 1.558 -0.369 1.00 0.65 H new ATOM 1245 N ILE A 81 2.334 -0.901 0.468 1.00 0.16 N ATOM 1246 CA ILE A 81 3.342 -1.738 -0.128 1.00 0.17 C ATOM 1247 C ILE A 81 3.341 -3.055 0.622 1.00 0.17 C ATOM 1248 O ILE A 81 3.368 -4.132 0.032 1.00 0.19 O ATOM 1249 CB ILE A 81 4.747 -1.101 -0.049 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.951 -0.088 -1.178 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.823 -2.174 -0.094 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.181 1.322 -0.685 1.00 0.32 C ATOM 0 H ILE A 81 2.675 -0.003 0.812 1.00 0.16 H new ATOM 0 HA ILE A 81 3.112 -1.875 -1.185 1.00 0.17 H new ATOM 0 HB ILE A 81 4.826 -0.572 0.900 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.803 -0.397 -1.784 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.077 -0.099 -1.829 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.806 -1.706 -0.037 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.695 -2.853 0.749 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.741 -2.733 -1.026 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.318 1.988 -1.537 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.319 1.649 -0.104 1.00 0.32 H new ATOM 0 HD13 ILE A 81 6.072 1.347 -0.058 1.00 0.32 H new ATOM 1264 N ARG A 82 3.285 -2.929 1.943 1.00 0.18 N ATOM 1265 CA ARG A 82 3.245 -4.069 2.840 1.00 0.20 C ATOM 1266 C ARG A 82 1.980 -4.883 2.590 1.00 0.26 C ATOM 1267 O ARG A 82 1.942 -6.091 2.831 1.00 0.36 O ATOM 1268 CB ARG A 82 3.259 -3.575 4.293 1.00 0.18 C ATOM 1269 CG ARG A 82 4.621 -3.612 4.964 1.00 0.18 C ATOM 1270 CD ARG A 82 5.487 -2.421 4.578 1.00 0.16 C ATOM 1271 NE ARG A 82 6.762 -2.428 5.291 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.661 -3.405 5.195 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.449 -4.437 4.387 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.782 -3.345 5.902 1.00 0.85 N ATOM 0 H ARG A 82 3.266 -2.028 2.420 1.00 0.18 H new ATOM 0 HA ARG A 82 4.116 -4.699 2.659 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.885 -2.552 4.318 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.566 -4.182 4.875 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.490 -3.628 6.046 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.133 -4.535 4.691 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.670 -2.437 3.504 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.953 -1.496 4.796 1.00 0.16 H new ATOM 0 HE ARG A 82 6.976 -1.637 5.899 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.593 -4.485 3.835 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.142 -5.182 4.319 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.954 -2.551 6.518 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.472 -4.093 5.829 1.00 0.85 H new ATOM 1288 N ALA A 83 0.946 -4.204 2.091 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.334 -4.845 1.809 1.00 0.27 C ATOM 1290 C ALA A 83 -0.220 -5.848 0.679 1.00 0.31 C ATOM 1291 O ALA A 83 -0.474 -7.038 0.868 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.378 -3.805 1.448 1.00 0.25 C ATOM 0 H ALA A 83 0.973 -3.208 1.874 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.636 -5.374 2.713 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.327 -4.299 1.240 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.504 -3.112 2.280 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.054 -3.256 0.564 1.00 0.25 H new ATOM 1298 N PHE A 84 0.167 -5.370 -0.500 1.00 0.30 N ATOM 1299 CA PHE A 84 0.293 -6.260 -1.647 1.00 0.40 C ATOM 1300 C PHE A 84 1.528 -7.137 -1.523 1.00 0.36 C ATOM 1301 O PHE A 84 1.679 -8.122 -2.243 1.00 0.36 O ATOM 1302 CB PHE A 84 0.278 -5.498 -2.981 1.00 0.65 C ATOM 1303 CG PHE A 84 1.280 -4.391 -3.133 1.00 1.18 C ATOM 1304 CD1 PHE A 84 2.603 -4.620 -2.808 1.00 2.05 C ATOM 1305 CD2 PHE A 84 0.911 -3.133 -3.574 1.00 2.00 C ATOM 1306 CE1 PHE A 84 3.544 -3.620 -2.919 1.00 3.01 C ATOM 1307 CE2 PHE A 84 1.848 -2.129 -3.690 1.00 3.01 C ATOM 1308 CZ PHE A 84 3.087 -2.316 -3.468 1.00 3.37 C ATOM 0 H PHE A 84 0.394 -4.393 -0.684 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.583 -6.908 -1.647 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.439 -6.216 -3.785 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -0.718 -5.078 -3.123 1.00 0.65 H new ATOM 0 HD1 PHE A 84 2.904 -5.598 -2.462 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -0.120 -2.936 -3.829 1.00 2.00 H new ATOM 0 HE1 PHE A 84 4.570 -3.777 -2.620 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.517 -1.143 -3.981 1.00 3.01 H new ATOM 0 HZ PHE A 84 3.801 -1.533 -3.677 1.00 3.37 H new ATOM 1318 N ARG A 85 2.411 -6.760 -0.612 1.00 0.39 N ATOM 1319 CA ARG A 85 3.638 -7.505 -0.379 1.00 0.43 C ATOM 1320 C ARG A 85 3.335 -8.948 0.020 1.00 0.38 C ATOM 1321 O ARG A 85 3.682 -9.894 -0.694 1.00 0.37 O ATOM 1322 CB ARG A 85 4.437 -6.829 0.732 1.00 0.56 C ATOM 1323 CG ARG A 85 5.926 -7.079 0.667 1.00 0.88 C ATOM 1324 CD ARG A 85 6.685 -5.954 1.343 1.00 0.72 C ATOM 1325 NE ARG A 85 8.096 -6.281 1.529 1.00 1.07 N ATOM 1326 CZ ARG A 85 9.094 -5.443 1.259 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.837 -4.232 0.785 1.00 1.31 N ATOM 1328 NH2 ARG A 85 10.349 -5.818 1.459 1.00 1.75 N ATOM 0 H ARG A 85 2.300 -5.938 -0.019 1.00 0.39 H new ATOM 0 HA ARG A 85 4.216 -7.517 -1.303 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.259 -5.755 0.690 1.00 0.56 H new ATOM 0 HB3 ARG A 85 4.064 -7.177 1.695 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.163 -8.027 1.150 1.00 0.88 H new ATOM 0 HG3 ARG A 85 6.241 -7.164 -0.373 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.599 -5.047 0.744 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.231 -5.741 2.311 1.00 0.72 H new ATOM 0 HE ARG A 85 8.331 -7.207 1.887 1.00 1.07 H new ATOM 0 HH11 ARG A 85 7.872 -3.941 0.626 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.604 -3.592 0.579 1.00 1.31 H new ATOM 0 HH21 ARG A 85 10.551 -6.750 1.820 1.00 1.75 H new ATOM 0 HH22 ARG A 85 11.113 -5.175 1.252 1.00 1.75 H new ATOM 1342 N GLU A 86 2.672 -9.103 1.162 1.00 0.38 N ATOM 1343 CA GLU A 86 2.318 -10.423 1.671 1.00 0.36 C ATOM 1344 C GLU A 86 1.322 -11.110 0.744 1.00 0.31 C ATOM 1345 O GLU A 86 1.289 -12.337 0.652 1.00 0.44 O ATOM 1346 CB GLU A 86 1.726 -10.310 3.077 1.00 0.41 C ATOM 1347 CG GLU A 86 2.616 -9.561 4.056 1.00 1.13 C ATOM 1348 CD GLU A 86 3.977 -10.209 4.224 1.00 1.53 C ATOM 1349 OE1 GLU A 86 4.076 -11.194 4.987 1.00 1.91 O ATOM 1350 OE2 GLU A 86 4.944 -9.734 3.593 1.00 1.89 O ATOM 0 H GLU A 86 2.369 -8.329 1.753 1.00 0.38 H new ATOM 0 HA GLU A 86 3.226 -11.024 1.714 1.00 0.36 H new ATOM 0 HB2 GLU A 86 0.762 -9.805 3.016 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.537 -11.311 3.464 1.00 0.41 H new ATOM 0 HG2 GLU A 86 2.747 -8.536 3.710 1.00 1.13 H new ATOM 0 HG3 GLU A 86 2.120 -9.510 5.025 1.00 1.13 H new ATOM 1357 N GLU A 87 0.514 -10.308 0.059 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.483 -10.840 -0.860 1.00 0.15 C ATOM 1359 C GLU A 87 0.179 -11.494 -2.068 1.00 0.14 C ATOM 1360 O GLU A 87 -0.224 -12.576 -2.487 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.431 -9.731 -1.323 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.355 -9.217 -0.230 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.284 -10.292 0.303 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -2.840 -11.090 1.155 1.00 1.06 O ATOM 1365 OE2 GLU A 87 -4.453 -10.337 -0.133 1.00 1.83 O ATOM 0 H GLU A 87 0.530 -9.290 0.123 1.00 0.18 H new ATOM 0 HA GLU A 87 -1.056 -11.599 -0.327 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.841 -8.899 -1.708 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.035 -10.104 -2.150 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.756 -8.820 0.590 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -2.948 -8.390 -0.620 1.00 0.24 H new ATOM 1372 N ALA A 88 1.199 -10.840 -2.619 1.00 0.18 N ATOM 1373 CA ALA A 88 1.898 -11.371 -3.787 1.00 0.17 C ATOM 1374 C ALA A 88 2.419 -12.774 -3.526 1.00 0.17 C ATOM 1375 O ALA A 88 2.343 -13.643 -4.395 1.00 0.18 O ATOM 1376 CB ALA A 88 3.039 -10.452 -4.202 1.00 0.19 C ATOM 0 H ALA A 88 1.558 -9.948 -2.279 1.00 0.18 H new ATOM 0 HA ALA A 88 1.179 -11.422 -4.605 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.544 -10.869 -5.073 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.642 -9.468 -4.449 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.750 -10.360 -3.381 1.00 0.19 H new ATOM 1382 N ILE A 89 2.952 -12.994 -2.330 1.00 0.20 N ATOM 1383 CA ILE A 89 3.474 -14.304 -1.971 1.00 0.23 C ATOM 1384 C ILE A 89 2.369 -15.357 -2.062 1.00 0.24 C ATOM 1385 O ILE A 89 2.608 -16.490 -2.480 1.00 0.31 O ATOM 1386 CB ILE A 89 4.095 -14.297 -0.550 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.443 -15.029 -0.555 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.152 -14.918 0.476 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.351 -16.487 -0.956 1.00 1.52 C ATOM 0 H ILE A 89 3.033 -12.288 -1.599 1.00 0.20 H new ATOM 0 HA ILE A 89 4.264 -14.555 -2.679 1.00 0.23 H new ATOM 0 HB ILE A 89 4.258 -13.259 -0.261 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.120 -14.517 -1.238 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.884 -14.963 0.440 1.00 0.74 H new ATOM 0 HG21 ILE A 89 3.620 -14.896 1.460 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.221 -14.352 0.504 1.00 0.60 H new ATOM 0 HG23 ILE A 89 2.940 -15.950 0.198 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.345 -16.934 -0.935 1.00 1.52 H new ATOM 0 HD12 ILE A 89 4.701 -17.016 -0.259 1.00 1.52 H new ATOM 0 HD13 ILE A 89 4.941 -16.562 -1.963 1.00 1.52 H new ATOM 1401 N LYS A 90 1.159 -14.965 -1.669 1.00 0.24 N ATOM 1402 CA LYS A 90 0.008 -15.862 -1.704 1.00 0.29 C ATOM 1403 C LYS A 90 -0.686 -15.818 -3.063 1.00 0.30 C ATOM 1404 O LYS A 90 -1.466 -16.710 -3.401 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.991 -15.484 -0.607 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.411 -15.533 0.799 1.00 0.33 C ATOM 1407 CD LYS A 90 0.021 -16.940 1.185 1.00 0.66 C ATOM 1408 CE LYS A 90 -1.165 -17.891 1.270 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.744 -19.271 1.640 1.00 2.42 N ATOM 0 H LYS A 90 0.951 -14.029 -1.322 1.00 0.24 H new ATOM 0 HA LYS A 90 0.371 -16.876 -1.533 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.365 -14.478 -0.800 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.846 -16.158 -0.660 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.444 -14.860 0.863 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -1.154 -15.173 1.511 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.736 -17.315 0.453 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.534 -16.912 2.146 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.877 -17.519 2.007 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.682 -17.914 0.311 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.580 -19.888 1.687 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -0.084 -19.636 0.924 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -0.274 -19.254 2.567 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.399 -14.775 -3.838 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.014 -14.604 -5.148 1.00 0.19 C ATOM 1425 C PHE A 91 -0.032 -14.909 -6.275 1.00 0.20 C ATOM 1426 O PHE A 91 -0.305 -14.619 -7.441 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.579 -13.188 -5.284 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.933 -13.039 -4.647 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.061 -13.542 -5.274 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.078 -12.406 -3.423 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.309 -13.418 -4.692 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.322 -12.276 -2.837 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.439 -12.784 -3.472 1.00 0.43 C ATOM 0 H PHE A 91 0.256 -14.037 -3.580 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.833 -15.319 -5.232 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.887 -12.480 -4.827 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.649 -12.929 -6.341 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -3.965 -14.037 -6.229 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.208 -12.009 -2.921 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -6.180 -13.816 -5.190 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.421 -11.778 -1.884 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.413 -12.685 -3.015 1.00 0.43 H new ATOM 1443 N SER A 92 1.101 -15.512 -5.916 1.00 0.20 N ATOM 1444 CA SER A 92 2.133 -15.875 -6.886 1.00 0.23 C ATOM 1445 C SER A 92 2.345 -14.770 -7.915 1.00 0.27 C ATOM 1446 O SER A 92 1.801 -14.822 -9.019 1.00 0.61 O ATOM 1447 CB SER A 92 1.765 -17.182 -7.591 1.00 0.24 C ATOM 1448 OG SER A 92 1.662 -18.250 -6.665 1.00 0.25 O ATOM 0 H SER A 92 1.328 -15.761 -4.953 1.00 0.20 H new ATOM 0 HA SER A 92 3.066 -16.012 -6.340 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.818 -17.061 -8.118 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.519 -17.419 -8.341 1.00 0.24 H new ATOM 0 HG SER A 92 1.424 -19.073 -7.140 1.00 0.25 H new ATOM 1454 N GLU A 93 3.138 -13.772 -7.544 1.00 0.20 N ATOM 1455 CA GLU A 93 3.422 -12.651 -8.430 1.00 0.18 C ATOM 1456 C GLU A 93 4.774 -12.028 -8.100 1.00 0.18 C ATOM 1457 O GLU A 93 4.873 -11.152 -7.239 1.00 0.19 O ATOM 1458 CB GLU A 93 2.312 -11.604 -8.329 1.00 0.19 C ATOM 1459 CG GLU A 93 1.163 -11.839 -9.297 1.00 0.27 C ATOM 1460 CD GLU A 93 1.610 -11.824 -10.746 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.653 -10.727 -11.342 1.00 1.46 O ATOM 1462 OE2 GLU A 93 1.917 -12.908 -11.284 1.00 0.96 O ATOM 0 H GLU A 93 3.596 -13.717 -6.634 1.00 0.20 H new ATOM 0 HA GLU A 93 3.461 -13.023 -9.454 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.923 -11.597 -7.311 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.737 -10.617 -8.515 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.696 -12.798 -9.075 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.403 -11.072 -9.147 1.00 0.27 H new ATOM 1469 N GLU A 94 5.814 -12.495 -8.785 1.00 0.21 N ATOM 1470 CA GLU A 94 7.164 -11.990 -8.567 1.00 0.24 C ATOM 1471 C GLU A 94 7.426 -10.733 -9.395 1.00 0.25 C ATOM 1472 O GLU A 94 7.975 -9.754 -8.890 1.00 0.31 O ATOM 1473 CB GLU A 94 8.196 -13.069 -8.904 1.00 0.28 C ATOM 1474 CG GLU A 94 8.065 -13.622 -10.314 1.00 0.33 C ATOM 1475 CD GLU A 94 9.132 -14.649 -10.641 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.925 -15.840 -10.332 1.00 1.46 O ATOM 1477 OE2 GLU A 94 10.177 -14.259 -11.206 1.00 1.53 O ATOM 0 H GLU A 94 5.747 -13.223 -9.496 1.00 0.21 H new ATOM 0 HA GLU A 94 7.257 -11.726 -7.514 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.196 -12.655 -8.777 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.098 -13.888 -8.192 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.081 -14.076 -10.432 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.125 -12.801 -11.029 1.00 0.33 H new ATOM 1484 N GLN A 95 7.036 -10.770 -10.668 1.00 0.25 N ATOM 1485 CA GLN A 95 7.230 -9.628 -11.559 1.00 0.28 C ATOM 1486 C GLN A 95 6.574 -8.388 -10.977 1.00 0.23 C ATOM 1487 O GLN A 95 7.153 -7.300 -10.979 1.00 0.20 O ATOM 1488 CB GLN A 95 6.640 -9.920 -12.942 1.00 0.33 C ATOM 1489 CG GLN A 95 5.115 -9.949 -12.965 1.00 0.73 C ATOM 1490 CD GLN A 95 4.554 -10.256 -14.342 1.00 0.78 C ATOM 1491 OE1 GLN A 95 3.470 -9.795 -14.698 1.00 1.54 O ATOM 1492 NE2 GLN A 95 5.288 -11.041 -15.123 1.00 1.03 N ATOM 0 H GLN A 95 6.586 -11.575 -11.104 1.00 0.25 H new ATOM 0 HA GLN A 95 8.301 -9.453 -11.660 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.991 -9.163 -13.644 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.018 -10.880 -13.293 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.760 -10.698 -12.257 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.733 -8.985 -12.628 1.00 0.73 H new ATOM 0 HE21 GLN A 95 6.181 -11.402 -14.788 1.00 1.03 H new ATOM 0 HE22 GLN A 95 4.958 -11.283 -16.057 1.00 1.03 H new ATOM 1501 N ARG A 96 5.359 -8.568 -10.484 1.00 0.25 N ATOM 1502 CA ARG A 96 4.605 -7.483 -9.895 1.00 0.22 C ATOM 1503 C ARG A 96 5.411 -6.806 -8.806 1.00 0.20 C ATOM 1504 O ARG A 96 5.330 -5.592 -8.623 1.00 0.26 O ATOM 1505 CB ARG A 96 3.292 -8.012 -9.332 1.00 0.25 C ATOM 1506 CG ARG A 96 2.182 -6.987 -9.380 1.00 0.95 C ATOM 1507 CD ARG A 96 1.894 -6.411 -8.012 1.00 0.63 C ATOM 1508 NE ARG A 96 3.077 -6.342 -7.161 1.00 1.42 N ATOM 1509 CZ ARG A 96 3.050 -6.558 -5.849 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.896 -6.737 -5.229 1.00 2.57 N ATOM 1511 NH2 ARG A 96 4.173 -6.579 -5.150 1.00 2.99 N ATOM 0 H ARG A 96 4.874 -9.465 -10.482 1.00 0.25 H new ATOM 0 HA ARG A 96 4.388 -6.746 -10.668 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.990 -8.895 -9.894 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.445 -8.328 -8.300 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.458 -6.183 -10.063 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.278 -7.448 -9.779 1.00 0.95 H new ATOM 0 HD2 ARG A 96 1.476 -5.411 -8.126 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.135 -7.019 -7.520 1.00 0.63 H new ATOM 0 HE ARG A 96 3.972 -6.116 -7.595 1.00 1.42 H new ATOM 0 HH11 ARG A 96 1.024 -6.710 -5.757 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.878 -6.903 -4.223 1.00 2.57 H new ATOM 0 HH21 ARG A 96 5.067 -6.429 -5.617 1.00 2.99 H new ATOM 0 HH22 ARG A 96 4.145 -6.745 -4.144 1.00 2.99 H new ATOM 1525 N PHE A 97 6.206 -7.593 -8.097 1.00 0.27 N ATOM 1526 CA PHE A 97 7.013 -7.065 -7.015 1.00 0.31 C ATOM 1527 C PHE A 97 8.054 -6.073 -7.534 1.00 0.25 C ATOM 1528 O PHE A 97 8.059 -4.901 -7.150 1.00 0.22 O ATOM 1529 CB PHE A 97 7.696 -8.206 -6.256 1.00 0.45 C ATOM 1530 CG PHE A 97 8.097 -7.849 -4.851 1.00 0.48 C ATOM 1531 CD1 PHE A 97 9.103 -6.926 -4.619 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.465 -8.435 -3.765 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.472 -6.595 -3.329 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.830 -8.107 -2.474 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.836 -7.198 -2.253 1.00 0.67 C ATOM 0 H PHE A 97 6.307 -8.596 -8.253 1.00 0.27 H new ATOM 0 HA PHE A 97 6.353 -6.532 -6.331 1.00 0.31 H new ATOM 0 HB2 PHE A 97 7.023 -9.063 -6.225 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.583 -8.517 -6.808 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.604 -6.460 -5.455 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.678 -9.156 -3.930 1.00 1.29 H new ATOM 0 HE1 PHE A 97 10.253 -5.869 -3.159 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.324 -8.566 -1.637 1.00 1.39 H new ATOM 0 HZ PHE A 97 9.131 -6.953 -1.243 1.00 0.67 H new ATOM 1545 N ASN A 98 8.936 -6.537 -8.414 1.00 0.28 N ATOM 1546 CA ASN A 98 9.965 -5.665 -8.961 1.00 0.26 C ATOM 1547 C ASN A 98 9.334 -4.551 -9.776 1.00 0.21 C ATOM 1548 O ASN A 98 9.952 -3.516 -10.018 1.00 0.21 O ATOM 1549 CB ASN A 98 10.950 -6.457 -9.822 1.00 0.34 C ATOM 1550 CG ASN A 98 10.262 -7.227 -10.930 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.914 -8.394 -10.762 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.061 -6.575 -12.070 1.00 1.22 N ATOM 0 H ASN A 98 8.959 -7.497 -8.758 1.00 0.28 H new ATOM 0 HA ASN A 98 10.515 -5.225 -8.129 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.679 -5.773 -10.257 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.503 -7.152 -9.190 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.601 -7.043 -12.851 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.367 -5.607 -12.164 1.00 1.22 H new ATOM 1559 N ASN A 99 8.094 -4.760 -10.194 1.00 0.18 N ATOM 1560 CA ASN A 99 7.395 -3.762 -10.981 1.00 0.20 C ATOM 1561 C ASN A 99 6.931 -2.609 -10.104 1.00 0.19 C ATOM 1562 O ASN A 99 7.224 -1.454 -10.397 1.00 0.24 O ATOM 1563 CB ASN A 99 6.206 -4.393 -11.714 1.00 0.22 C ATOM 1564 CG ASN A 99 5.754 -3.586 -12.919 1.00 0.63 C ATOM 1565 OD1 ASN A 99 5.293 -4.145 -13.914 1.00 1.41 O ATOM 1566 ND2 ASN A 99 5.875 -2.264 -12.838 1.00 1.14 N ATOM 0 H ASN A 99 7.557 -5.606 -10.002 1.00 0.18 H new ATOM 0 HA ASN A 99 8.088 -3.366 -11.723 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.478 -5.398 -12.038 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.372 -4.497 -11.020 1.00 0.22 H new ATOM 0 HD21 ASN A 99 5.581 -1.676 -13.618 1.00 1.14 H new ATOM 0 HD22 ASN A 99 6.262 -1.838 -11.996 1.00 1.14 H new ATOM 1573 N PHE A 100 6.229 -2.916 -9.017 1.00 0.18 N ATOM 1574 CA PHE A 100 5.739 -1.867 -8.133 1.00 0.23 C ATOM 1575 C PHE A 100 6.897 -1.140 -7.487 1.00 0.18 C ATOM 1576 O PHE A 100 6.841 0.067 -7.267 1.00 0.21 O ATOM 1577 CB PHE A 100 4.816 -2.445 -7.043 1.00 0.38 C ATOM 1578 CG PHE A 100 5.545 -2.901 -5.802 1.00 1.36 C ATOM 1579 CD1 PHE A 100 5.941 -1.991 -4.844 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.818 -4.244 -5.590 1.00 2.09 C ATOM 1581 CE1 PHE A 100 6.599 -2.405 -3.699 1.00 2.95 C ATOM 1582 CE2 PHE A 100 6.472 -4.666 -4.448 1.00 3.08 C ATOM 1583 CZ PHE A 100 6.910 -3.737 -3.525 1.00 3.43 C ATOM 0 H PHE A 100 5.991 -3.866 -8.732 1.00 0.18 H new ATOM 0 HA PHE A 100 5.164 -1.165 -8.736 1.00 0.23 H new ATOM 0 HB2 PHE A 100 4.082 -1.689 -6.764 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.263 -3.288 -7.458 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.735 -0.941 -4.989 1.00 1.99 H new ATOM 0 HD2 PHE A 100 5.515 -4.971 -6.329 1.00 2.09 H new ATOM 0 HE1 PHE A 100 6.869 -1.684 -2.941 1.00 2.95 H new ATOM 0 HE2 PHE A 100 6.640 -5.719 -4.278 1.00 3.08 H new ATOM 0 HZ PHE A 100 7.493 -4.052 -2.672 1.00 3.43 H new ATOM 1593 N LEU A 101 7.948 -1.882 -7.186 1.00 0.18 N ATOM 1594 CA LEU A 101 9.106 -1.310 -6.534 1.00 0.21 C ATOM 1595 C LEU A 101 9.891 -0.419 -7.466 1.00 0.20 C ATOM 1596 O LEU A 101 10.179 0.734 -7.135 1.00 0.21 O ATOM 1597 CB LEU A 101 9.999 -2.430 -6.004 1.00 0.28 C ATOM 1598 CG LEU A 101 11.058 -2.040 -4.960 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.813 -0.648 -4.379 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.055 -3.084 -3.856 1.00 0.92 C ATOM 0 H LEU A 101 8.021 -2.880 -7.383 1.00 0.18 H new ATOM 0 HA LEU A 101 8.757 -0.692 -5.707 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.359 -3.197 -5.568 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.510 -2.886 -6.852 1.00 0.28 H new ATOM 0 HG LEU A 101 12.031 -2.006 -5.449 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.587 -0.418 -3.647 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.841 0.091 -5.180 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.837 -0.622 -3.895 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.801 -2.823 -3.106 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.070 -3.119 -3.391 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.292 -4.061 -4.278 1.00 0.92 H new ATOM 1612 N LYS A 102 10.225 -0.926 -8.640 1.00 0.20 N ATOM 1613 CA LYS A 102 11.008 -0.132 -9.555 1.00 0.23 C ATOM 1614 C LYS A 102 10.158 0.965 -10.177 1.00 0.22 C ATOM 1615 O LYS A 102 10.688 1.963 -10.665 1.00 0.26 O ATOM 1616 CB LYS A 102 11.654 -1.006 -10.633 1.00 0.27 C ATOM 1617 CG LYS A 102 12.547 -2.121 -10.086 1.00 0.28 C ATOM 1618 CD LYS A 102 13.460 -1.650 -8.956 1.00 0.33 C ATOM 1619 CE LYS A 102 14.291 -0.440 -9.354 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.437 -0.227 -8.429 1.00 2.40 N ATOM 0 H LYS A 102 9.973 -1.857 -8.971 1.00 0.20 H new ATOM 0 HA LYS A 102 11.811 0.341 -8.989 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.868 -1.452 -11.242 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.247 -0.372 -11.292 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.921 -2.937 -9.725 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.157 -2.522 -10.896 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.856 -1.402 -8.083 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.124 -2.464 -8.664 1.00 0.33 H new ATOM 0 HE2 LYS A 102 14.664 -0.573 -10.370 1.00 1.44 H new ATOM 0 HE3 LYS A 102 13.659 0.448 -9.360 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.979 0.607 -8.734 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.081 -0.074 -7.464 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 16.054 -1.064 -8.442 1.00 2.40 H new ATOM 1634 N ALA A 103 8.836 0.796 -10.141 1.00 0.19 N ATOM 1635 CA ALA A 103 7.944 1.800 -10.701 1.00 0.21 C ATOM 1636 C ALA A 103 7.692 2.911 -9.698 1.00 0.18 C ATOM 1637 O ALA A 103 7.727 4.094 -10.048 1.00 0.20 O ATOM 1638 CB ALA A 103 6.632 1.180 -11.152 1.00 0.24 C ATOM 0 H ALA A 103 8.369 -0.015 -9.736 1.00 0.19 H new ATOM 0 HA ALA A 103 8.431 2.228 -11.577 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.987 1.955 -11.566 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.829 0.426 -11.914 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.138 0.713 -10.300 1.00 0.24 H new ATOM 1644 N LEU A 104 7.450 2.542 -8.443 1.00 0.16 N ATOM 1645 CA LEU A 104 7.209 3.547 -7.430 1.00 0.16 C ATOM 1646 C LEU A 104 8.473 4.361 -7.237 1.00 0.16 C ATOM 1647 O LEU A 104 8.422 5.584 -7.129 1.00 0.16 O ATOM 1648 CB LEU A 104 6.748 2.918 -6.103 1.00 0.19 C ATOM 1649 CG LEU A 104 7.805 2.125 -5.325 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.655 3.042 -4.467 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.138 1.078 -4.454 1.00 0.24 C ATOM 0 H LEU A 104 7.417 1.577 -8.115 1.00 0.16 H new ATOM 0 HA LEU A 104 6.402 4.199 -7.763 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.374 3.714 -5.459 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.908 2.256 -6.312 1.00 0.19 H new ATOM 0 HG LEU A 104 8.455 1.632 -6.048 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.396 2.452 -3.927 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.162 3.768 -5.102 1.00 0.23 H new ATOM 0 HD13 LEU A 104 8.019 3.566 -3.754 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.899 0.522 -3.907 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.467 1.566 -3.747 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.568 0.392 -5.081 1.00 0.24 H new ATOM 1663 N GLN A 105 9.616 3.673 -7.231 1.00 0.18 N ATOM 1664 CA GLN A 105 10.894 4.339 -7.052 1.00 0.22 C ATOM 1665 C GLN A 105 11.233 5.198 -8.258 1.00 0.24 C ATOM 1666 O GLN A 105 11.552 6.378 -8.107 1.00 0.26 O ATOM 1667 CB GLN A 105 11.999 3.327 -6.771 1.00 0.27 C ATOM 1668 CG GLN A 105 13.366 3.734 -7.298 1.00 0.35 C ATOM 1669 CD GLN A 105 13.926 4.961 -6.603 1.00 1.13 C ATOM 1670 OE1 GLN A 105 14.683 5.731 -7.195 1.00 1.76 O ATOM 1671 NE2 GLN A 105 13.558 5.149 -5.342 1.00 1.92 N ATOM 0 H GLN A 105 9.677 2.662 -7.348 1.00 0.18 H new ATOM 0 HA GLN A 105 10.814 4.997 -6.186 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.069 3.172 -5.694 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.721 2.370 -7.214 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.060 2.903 -7.172 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.294 3.930 -8.368 1.00 0.35 H new ATOM 0 HE21 GLN A 105 12.929 4.486 -4.890 1.00 1.92 H new ATOM 0 HE22 GLN A 105 13.904 5.957 -4.825 1.00 1.92 H new ATOM 1680 N GLU A 106 11.176 4.620 -9.456 1.00 0.25 N ATOM 1681 CA GLU A 106 11.466 5.396 -10.648 1.00 0.29 C ATOM 1682 C GLU A 106 10.592 6.640 -10.633 1.00 0.29 C ATOM 1683 O GLU A 106 10.988 7.700 -11.109 1.00 0.35 O ATOM 1684 CB GLU A 106 11.223 4.589 -11.923 1.00 0.31 C ATOM 1685 CG GLU A 106 9.756 4.388 -12.234 1.00 0.29 C ATOM 1686 CD GLU A 106 9.527 3.677 -13.552 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.538 2.428 -13.564 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.336 4.369 -14.575 1.00 0.41 O ATOM 0 H GLU A 106 10.938 3.642 -9.621 1.00 0.25 H new ATOM 0 HA GLU A 106 12.520 5.672 -10.644 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.699 5.097 -12.762 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.703 3.615 -11.825 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.295 3.813 -11.431 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.258 5.357 -12.258 1.00 0.29 H new ATOM 1695 N LYS A 107 9.393 6.500 -10.068 1.00 0.23 N ATOM 1696 CA LYS A 107 8.480 7.622 -9.961 1.00 0.23 C ATOM 1697 C LYS A 107 9.057 8.662 -9.000 1.00 0.24 C ATOM 1698 O LYS A 107 9.044 9.856 -9.295 1.00 0.30 O ATOM 1699 CB LYS A 107 7.101 7.147 -9.492 1.00 0.22 C ATOM 1700 CG LYS A 107 6.028 8.229 -9.508 1.00 0.62 C ATOM 1701 CD LYS A 107 6.066 9.097 -8.257 1.00 1.05 C ATOM 1702 CE LYS A 107 5.883 8.270 -6.995 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.612 7.496 -7.021 1.00 2.14 N ATOM 0 H LYS A 107 9.039 5.625 -9.682 1.00 0.23 H new ATOM 0 HA LYS A 107 8.358 8.082 -10.942 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.778 6.322 -10.127 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.190 6.754 -8.479 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.162 8.858 -10.388 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.046 7.763 -9.595 1.00 0.62 H new ATOM 0 HD2 LYS A 107 7.017 9.627 -8.210 1.00 1.05 H new ATOM 0 HD3 LYS A 107 5.283 9.853 -8.314 1.00 1.05 H new ATOM 0 HE2 LYS A 107 6.724 7.585 -6.884 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.891 8.927 -6.125 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 4.683 6.691 -6.367 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.825 8.111 -6.730 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.439 7.145 -7.985 1.00 2.14 H new ATOM 1717 N VAL A 108 9.564 8.206 -7.845 1.00 0.22 N ATOM 1718 CA VAL A 108 10.165 9.124 -6.876 1.00 0.26 C ATOM 1719 C VAL A 108 11.376 9.805 -7.504 1.00 0.33 C ATOM 1720 O VAL A 108 11.793 10.880 -7.077 1.00 0.40 O ATOM 1721 CB VAL A 108 10.590 8.423 -5.554 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.686 7.248 -5.234 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.053 7.993 -5.587 1.00 0.28 C ATOM 0 H VAL A 108 9.569 7.225 -7.566 1.00 0.22 H new ATOM 0 HA VAL A 108 9.402 9.857 -6.616 1.00 0.26 H new ATOM 0 HB VAL A 108 10.481 9.156 -4.755 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.011 6.781 -4.304 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.659 7.598 -5.125 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.737 6.519 -6.043 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.311 7.508 -4.646 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.209 7.295 -6.410 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.686 8.869 -5.729 1.00 0.28 H new ATOM 1733 N GLU A 109 11.938 9.154 -8.523 1.00 0.38 N ATOM 1734 CA GLU A 109 13.090 9.686 -9.241 1.00 0.48 C ATOM 1735 C GLU A 109 12.665 10.850 -10.127 1.00 0.45 C ATOM 1736 O GLU A 109 13.213 11.950 -10.035 1.00 0.45 O ATOM 1737 CB GLU A 109 13.730 8.588 -10.096 1.00 0.62 C ATOM 1738 CG GLU A 109 14.839 9.088 -11.007 1.00 1.29 C ATOM 1739 CD GLU A 109 15.641 7.960 -11.626 1.00 1.62 C ATOM 1740 OE1 GLU A 109 15.179 7.386 -12.634 1.00 1.75 O ATOM 1741 OE2 GLU A 109 16.734 7.653 -11.103 1.00 2.41 O ATOM 0 H GLU A 109 11.610 8.252 -8.869 1.00 0.38 H new ATOM 0 HA GLU A 109 13.821 10.042 -8.515 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.132 7.817 -9.439 1.00 0.62 H new ATOM 0 HB3 GLU A 109 12.957 8.117 -10.704 1.00 0.62 H new ATOM 0 HG2 GLU A 109 14.405 9.697 -11.800 1.00 1.29 H new ATOM 0 HG3 GLU A 109 15.508 9.734 -10.438 1.00 1.29 H new ATOM 1748 N ILE A 110 11.686 10.593 -10.988 1.00 0.44 N ATOM 1749 CA ILE A 110 11.162 11.609 -11.889 1.00 0.42 C ATOM 1750 C ILE A 110 10.705 12.837 -11.103 1.00 0.39 C ATOM 1751 O ILE A 110 11.050 13.970 -11.439 1.00 0.45 O ATOM 1752 CB ILE A 110 9.985 11.052 -12.721 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.496 10.265 -13.935 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.054 12.170 -13.172 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.469 9.154 -13.601 1.00 0.55 C ATOM 0 H ILE A 110 11.237 9.682 -11.080 1.00 0.44 H new ATOM 0 HA ILE A 110 11.963 11.900 -12.569 1.00 0.42 H new ATOM 0 HB ILE A 110 9.421 10.374 -12.081 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.642 9.837 -14.460 1.00 0.51 H new ATOM 0 HG13 ILE A 110 10.979 10.958 -14.624 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.235 11.749 -13.755 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.651 12.683 -12.298 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.609 12.880 -13.785 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.777 8.652 -14.518 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.344 9.574 -13.105 1.00 0.55 H new ATOM 0 HD13 ILE A 110 10.987 8.435 -12.939 1.00 0.55 H new ATOM 1767 N LYS A 111 9.926 12.594 -10.055 1.00 0.36 N ATOM 1768 CA LYS A 111 9.422 13.665 -9.204 1.00 0.37 C ATOM 1769 C LYS A 111 10.226 13.741 -7.910 1.00 0.40 C ATOM 1770 O LYS A 111 11.368 13.287 -7.849 1.00 0.48 O ATOM 1771 CB LYS A 111 7.943 13.438 -8.879 1.00 0.39 C ATOM 1772 CG LYS A 111 6.991 14.054 -9.889 1.00 0.51 C ATOM 1773 CD LYS A 111 5.657 14.405 -9.248 1.00 0.65 C ATOM 1774 CE LYS A 111 4.894 13.160 -8.817 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.529 13.488 -8.319 1.00 1.28 N ATOM 0 H LYS A 111 9.629 11.660 -9.774 1.00 0.36 H new ATOM 0 HA LYS A 111 9.527 14.607 -9.743 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.754 12.366 -8.822 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.730 13.852 -7.893 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.440 14.952 -10.315 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.830 13.357 -10.712 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.827 15.046 -8.383 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.053 14.976 -9.954 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.817 12.472 -9.659 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.452 12.645 -8.035 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.043 12.613 -8.036 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.602 14.124 -7.500 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.987 13.956 -9.073 1.00 1.28 H new ATOM 1789 N GLN A 112 9.624 14.328 -6.882 1.00 0.43 N ATOM 1790 CA GLN A 112 10.269 14.450 -5.583 1.00 0.56 C ATOM 1791 C GLN A 112 9.901 13.261 -4.707 1.00 0.65 C ATOM 1792 O GLN A 112 10.120 12.115 -5.098 1.00 1.51 O ATOM 1793 CB GLN A 112 9.863 15.770 -4.918 1.00 0.66 C ATOM 1794 CG GLN A 112 10.584 16.986 -5.482 1.00 0.69 C ATOM 1795 CD GLN A 112 10.251 17.244 -6.938 1.00 1.29 C ATOM 1796 OE1 GLN A 112 9.152 16.933 -7.402 1.00 2.15 O ATOM 1797 NE2 GLN A 112 11.199 17.817 -7.669 1.00 2.03 N ATOM 0 H GLN A 112 8.687 14.728 -6.925 1.00 0.43 H new ATOM 0 HA GLN A 112 11.351 14.454 -5.716 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.788 15.910 -5.034 1.00 0.66 H new ATOM 0 HB3 GLN A 112 10.062 15.704 -3.848 1.00 0.66 H new ATOM 0 HG2 GLN A 112 10.321 17.864 -4.893 1.00 0.69 H new ATOM 0 HG3 GLN A 112 11.660 16.844 -5.380 1.00 0.69 H new ATOM 0 HE21 GLN A 112 12.095 18.058 -7.245 1.00 2.03 H new ATOM 0 HE22 GLN A 112 11.032 18.016 -8.655 1.00 2.03 H new ATOM 1806 N LEU A 113 9.365 13.534 -3.520 1.00 0.37 N ATOM 1807 CA LEU A 113 8.934 12.472 -2.620 1.00 0.29 C ATOM 1808 C LEU A 113 10.106 11.648 -2.112 1.00 0.30 C ATOM 1809 O LEU A 113 9.936 10.495 -1.716 1.00 0.44 O ATOM 1810 CB LEU A 113 7.945 11.567 -3.343 1.00 0.24 C ATOM 1811 CG LEU A 113 6.591 12.196 -3.648 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.836 12.471 -2.356 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.732 13.476 -4.463 1.00 0.36 C ATOM 0 H LEU A 113 9.220 14.478 -3.162 1.00 0.37 H new ATOM 0 HA LEU A 113 8.458 12.936 -1.756 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.395 11.240 -4.280 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.785 10.675 -2.738 1.00 0.24 H new ATOM 0 HG LEU A 113 6.024 11.485 -4.250 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.870 12.920 -2.587 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.681 11.535 -1.819 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.415 13.155 -1.735 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.744 13.893 -4.659 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.327 14.199 -3.905 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.226 13.253 -5.409 1.00 0.36 H new ATOM 1825 N ASN A 114 11.293 12.239 -2.120 1.00 0.19 N ATOM 1826 CA ASN A 114 12.480 11.540 -1.654 1.00 0.18 C ATOM 1827 C ASN A 114 12.284 11.045 -0.226 1.00 0.16 C ATOM 1828 O ASN A 114 12.779 9.982 0.139 1.00 0.18 O ATOM 1829 CB ASN A 114 13.705 12.448 -1.736 1.00 0.20 C ATOM 1830 CG ASN A 114 13.861 13.093 -3.101 1.00 0.27 C ATOM 1831 OD1 ASN A 114 14.501 12.535 -3.992 1.00 1.10 O ATOM 1832 ND2 ASN A 114 13.276 14.272 -3.270 1.00 1.22 N ATOM 0 H ASN A 114 11.458 13.193 -2.441 1.00 0.19 H new ATOM 0 HA ASN A 114 12.644 10.678 -2.301 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.628 13.226 -0.977 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.599 11.868 -1.508 1.00 0.20 H new ATOM 0 HD21 ASN A 114 13.347 14.753 -4.167 1.00 1.22 H new ATOM 0 HD22 ASN A 114 12.755 14.698 -2.503 1.00 1.22 H new ATOM 1839 N HIS A 115 11.554 11.820 0.579 1.00 0.16 N ATOM 1840 CA HIS A 115 11.286 11.443 1.966 1.00 0.14 C ATOM 1841 C HIS A 115 10.652 10.059 2.018 1.00 0.13 C ATOM 1842 O HIS A 115 11.041 9.212 2.826 1.00 0.12 O ATOM 1843 CB HIS A 115 10.373 12.467 2.633 1.00 0.15 C ATOM 1844 CG HIS A 115 10.939 13.853 2.653 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.642 14.365 3.723 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.902 14.839 1.724 1.00 0.92 C ATOM 1847 CE1 HIS A 115 12.013 15.604 3.452 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.577 15.914 2.246 1.00 0.51 N ATOM 0 H HIS A 115 11.140 12.708 0.295 1.00 0.16 H new ATOM 0 HA HIS A 115 12.231 11.420 2.509 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.416 12.482 2.111 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.173 12.151 3.657 1.00 0.15 H new ATOM 0 HD2 HIS A 115 10.430 14.788 0.754 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.577 16.252 4.106 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.719 16.809 1.777 1.00 0.51 H new ATOM 1857 N PHE A 116 9.657 9.835 1.163 1.00 0.13 N ATOM 1858 CA PHE A 116 9.014 8.535 1.095 1.00 0.13 C ATOM 1859 C PHE A 116 10.093 7.489 0.855 1.00 0.12 C ATOM 1860 O PHE A 116 10.191 6.496 1.572 1.00 0.16 O ATOM 1861 CB PHE A 116 7.965 8.509 -0.020 1.00 0.15 C ATOM 1862 CG PHE A 116 7.640 7.133 -0.527 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.134 6.172 0.332 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.841 6.798 -1.858 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.835 4.903 -0.124 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.542 5.529 -2.319 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.041 4.591 -1.481 1.00 0.21 C ATOM 0 H PHE A 116 9.285 10.531 0.517 1.00 0.13 H new ATOM 0 HA PHE A 116 8.494 8.322 2.029 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.050 8.975 0.346 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.321 9.116 -0.852 1.00 0.15 H new ATOM 0 HD1 PHE A 116 6.971 6.418 1.371 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.235 7.536 -2.541 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.447 4.157 0.554 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.710 5.284 -3.357 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.800 3.606 -1.853 1.00 0.21 H new ATOM 1877 N TRP A 117 10.928 7.744 -0.146 1.00 0.14 N ATOM 1878 CA TRP A 117 12.023 6.845 -0.462 1.00 0.15 C ATOM 1879 C TRP A 117 12.854 6.591 0.791 1.00 0.15 C ATOM 1880 O TRP A 117 13.308 5.473 1.027 1.00 0.19 O ATOM 1881 CB TRP A 117 12.894 7.435 -1.577 1.00 0.19 C ATOM 1882 CG TRP A 117 14.232 6.772 -1.720 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.455 7.352 -1.537 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.483 5.405 -2.072 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.451 6.431 -1.758 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.880 5.229 -2.086 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.663 4.315 -2.376 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.474 4.008 -2.391 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.255 3.103 -2.681 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.648 2.958 -2.685 1.00 0.92 C ATOM 0 H TRP A 117 10.865 8.564 -0.749 1.00 0.14 H new ATOM 0 HA TRP A 117 11.617 5.897 -0.815 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.358 7.357 -2.523 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.045 8.497 -1.383 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.616 8.383 -1.259 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.452 6.613 -1.689 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.588 4.417 -2.373 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.548 3.894 -2.395 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.632 2.254 -2.920 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.079 1.997 -2.925 1.00 0.92 H new ATOM 1901 N GLU A 118 13.013 7.633 1.609 1.00 0.14 N ATOM 1902 CA GLU A 118 13.785 7.534 2.844 1.00 0.15 C ATOM 1903 C GLU A 118 13.197 6.478 3.775 1.00 0.14 C ATOM 1904 O GLU A 118 13.894 5.545 4.176 1.00 0.17 O ATOM 1905 CB GLU A 118 13.839 8.885 3.566 1.00 0.17 C ATOM 1906 CG GLU A 118 14.438 10.007 2.734 1.00 0.20 C ATOM 1907 CD GLU A 118 15.810 9.664 2.190 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.808 9.891 2.907 1.00 0.86 O ATOM 1909 OE2 GLU A 118 15.889 9.170 1.046 1.00 0.64 O ATOM 0 H GLU A 118 12.615 8.556 1.436 1.00 0.14 H new ATOM 0 HA GLU A 118 14.798 7.238 2.573 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.829 9.167 3.864 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.422 8.774 4.480 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.769 10.235 1.904 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.508 10.908 3.343 1.00 0.20 H new ATOM 1916 N ILE A 119 11.917 6.622 4.124 1.00 0.11 N ATOM 1917 CA ILE A 119 11.281 5.656 5.018 1.00 0.13 C ATOM 1918 C ILE A 119 11.372 4.248 4.447 1.00 0.14 C ATOM 1919 O ILE A 119 11.495 3.283 5.203 1.00 0.19 O ATOM 1920 CB ILE A 119 9.806 6.000 5.335 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.948 5.935 4.067 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.720 7.371 5.990 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.542 6.480 4.224 1.00 0.14 C ATOM 0 H ILE A 119 11.313 7.381 3.809 1.00 0.11 H new ATOM 0 HA ILE A 119 11.832 5.706 5.957 1.00 0.13 H new ATOM 0 HB ILE A 119 9.415 5.261 6.034 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.452 6.490 3.275 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.886 4.897 3.739 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.678 7.605 6.209 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.294 7.368 6.916 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.126 8.123 5.314 1.00 0.22 H new ATOM 0 HD11 ILE A 119 7.010 6.393 3.277 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.015 5.911 4.990 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.589 7.528 4.518 1.00 0.14 H new ATOM 1935 N VAL A 120 11.322 4.110 3.120 1.00 0.13 N ATOM 1936 CA VAL A 120 11.430 2.778 2.533 1.00 0.20 C ATOM 1937 C VAL A 120 12.833 2.206 2.772 1.00 0.21 C ATOM 1938 O VAL A 120 12.970 1.025 3.084 1.00 0.25 O ATOM 1939 CB VAL A 120 11.048 2.716 1.027 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.448 4.018 0.546 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.229 2.317 0.162 1.00 0.76 C ATOM 0 H VAL A 120 11.212 4.875 2.455 1.00 0.13 H new ATOM 0 HA VAL A 120 10.692 2.158 3.042 1.00 0.20 H new ATOM 0 HB VAL A 120 10.287 1.942 0.930 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.195 3.933 -0.511 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.547 4.237 1.119 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.169 4.824 0.683 1.00 0.82 H new ATOM 0 HG21 VAL A 120 11.920 2.285 -0.883 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.030 3.046 0.282 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.586 1.333 0.465 1.00 0.76 H new ATOM 1951 N VAL A 121 13.882 3.036 2.633 1.00 0.20 N ATOM 1952 CA VAL A 121 15.243 2.557 2.899 1.00 0.24 C ATOM 1953 C VAL A 121 15.335 2.139 4.358 1.00 0.26 C ATOM 1954 O VAL A 121 16.032 1.189 4.714 1.00 0.31 O ATOM 1955 CB VAL A 121 16.346 3.613 2.609 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.912 4.591 1.543 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.760 4.349 3.873 1.00 0.26 C ATOM 0 H VAL A 121 13.815 4.013 2.347 1.00 0.20 H new ATOM 0 HA VAL A 121 15.423 1.721 2.223 1.00 0.24 H new ATOM 0 HB VAL A 121 17.214 3.071 2.235 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.708 5.314 1.367 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.700 4.052 0.619 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.014 5.113 1.872 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.533 5.079 3.632 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.896 4.861 4.296 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.149 3.635 4.599 1.00 0.26 H new ATOM 1967 N GLN A 122 14.607 2.876 5.191 1.00 0.25 N ATOM 1968 CA GLN A 122 14.563 2.624 6.619 1.00 0.30 C ATOM 1969 C GLN A 122 13.721 1.385 6.917 1.00 0.35 C ATOM 1970 O GLN A 122 13.907 0.723 7.937 1.00 0.44 O ATOM 1971 CB GLN A 122 13.987 3.852 7.332 1.00 0.29 C ATOM 1972 CG GLN A 122 13.646 3.613 8.787 1.00 0.44 C ATOM 1973 CD GLN A 122 13.389 4.898 9.549 1.00 1.27 C ATOM 1974 OE1 GLN A 122 12.930 5.889 8.980 1.00 1.92 O ATOM 1975 NE2 GLN A 122 13.689 4.888 10.843 1.00 2.12 N ATOM 0 H GLN A 122 14.033 3.664 4.891 1.00 0.25 H new ATOM 0 HA GLN A 122 15.573 2.439 6.984 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.706 4.668 7.267 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.089 4.176 6.807 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.763 2.977 8.849 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.463 3.071 9.263 1.00 0.44 H new ATOM 0 HE21 GLN A 122 14.067 4.044 11.272 1.00 2.12 H new ATOM 0 HE22 GLN A 122 13.541 5.725 11.407 1.00 2.12 H new ATOM 1984 N ASP A 123 12.801 1.080 6.010 1.00 0.31 N ATOM 1985 CA ASP A 123 11.924 -0.075 6.156 1.00 0.37 C ATOM 1986 C ASP A 123 12.374 -1.226 5.259 1.00 0.40 C ATOM 1987 O ASP A 123 11.774 -2.301 5.268 1.00 0.45 O ATOM 1988 CB ASP A 123 10.482 0.314 5.814 1.00 0.35 C ATOM 1989 CG ASP A 123 9.804 1.077 6.936 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.317 0.428 7.885 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.758 2.323 6.865 1.00 0.71 O ATOM 0 H ASP A 123 12.642 1.621 5.160 1.00 0.31 H new ATOM 0 HA ASP A 123 11.975 -0.408 7.193 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.478 0.924 4.910 1.00 0.35 H new ATOM 0 HB3 ASP A 123 9.909 -0.587 5.593 1.00 0.35 H new ATOM 1996 N GLY A 124 13.432 -0.995 4.484 1.00 0.38 N ATOM 1997 CA GLY A 124 13.925 -2.022 3.584 1.00 0.43 C ATOM 1998 C GLY A 124 12.890 -2.388 2.540 1.00 0.44 C ATOM 1999 O GLY A 124 12.470 -3.540 2.446 1.00 0.55 O ATOM 0 H GLY A 124 13.954 -0.119 4.464 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.832 -1.671 3.092 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.196 -2.909 4.156 1.00 0.43 H new ATOM 2003 N ILE A 125 12.483 -1.396 1.753 1.00 0.40 N ATOM 2004 CA ILE A 125 11.469 -1.596 0.726 1.00 0.44 C ATOM 2005 C ILE A 125 12.015 -1.297 -0.667 1.00 0.45 C ATOM 2006 O ILE A 125 11.532 -0.395 -1.353 1.00 0.48 O ATOM 2007 CB ILE A 125 10.254 -0.686 0.984 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.871 -0.708 2.466 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.077 -1.101 0.118 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.540 -2.086 2.993 1.00 0.49 C ATOM 0 H ILE A 125 12.842 -0.443 1.808 1.00 0.40 H new ATOM 0 HA ILE A 125 11.169 -2.643 0.772 1.00 0.44 H new ATOM 0 HB ILE A 125 10.528 0.334 0.716 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.693 -0.294 3.050 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.012 -0.055 2.619 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.230 -0.445 0.317 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.355 -1.027 -0.933 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.801 -2.130 0.348 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.279 -2.019 4.049 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.697 -2.496 2.436 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.405 -2.738 2.874 1.00 0.49 H new ATOM 2022 N THR A 126 13.027 -2.047 -1.084 1.00 0.45 N ATOM 2023 CA THR A 126 13.610 -1.849 -2.402 1.00 0.47 C ATOM 2024 C THR A 126 14.025 -3.174 -3.029 1.00 0.48 C ATOM 2025 O THR A 126 14.088 -4.195 -2.344 1.00 0.57 O ATOM 2026 CB THR A 126 14.823 -0.907 -2.349 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.521 0.239 -1.544 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.218 -0.458 -3.747 1.00 0.53 C ATOM 0 H THR A 126 13.457 -2.791 -0.534 1.00 0.45 H new ATOM 0 HA THR A 126 12.838 -1.390 -3.020 1.00 0.47 H new ATOM 0 HB THR A 126 15.658 -1.451 -1.907 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.760 1.054 -2.033 1.00 0.55 H new ATOM 0 HG21 THR A 126 16.079 0.208 -3.686 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.475 -1.329 -4.350 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.383 0.069 -4.209 1.00 0.53 H new ATOM 2036 N LEU A 127 14.309 -3.130 -4.337 1.00 0.47 N ATOM 2037 CA LEU A 127 14.744 -4.294 -5.122 1.00 0.48 C ATOM 2038 C LEU A 127 14.110 -5.604 -4.651 1.00 0.46 C ATOM 2039 O LEU A 127 13.125 -5.610 -3.913 1.00 0.52 O ATOM 2040 CB LEU A 127 16.287 -4.401 -5.148 1.00 0.52 C ATOM 2041 CG LEU A 127 17.008 -4.684 -3.821 1.00 0.66 C ATOM 2042 CD1 LEU A 127 18.463 -5.025 -4.077 1.00 1.29 C ATOM 2043 CD2 LEU A 127 16.888 -3.518 -2.869 1.00 1.19 C ATOM 0 H LEU A 127 14.242 -2.274 -4.888 1.00 0.47 H new ATOM 0 HA LEU A 127 14.390 -4.129 -6.140 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.556 -5.190 -5.850 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.681 -3.468 -5.551 1.00 0.52 H new ATOM 0 HG LEU A 127 16.527 -5.541 -3.350 1.00 0.66 H new ATOM 0 HD11 LEU A 127 18.963 -5.223 -3.129 1.00 1.29 H new ATOM 0 HD12 LEU A 127 18.523 -5.910 -4.711 1.00 1.29 H new ATOM 0 HD13 LEU A 127 18.951 -4.187 -4.576 1.00 1.29 H new ATOM 0 HD21 LEU A 127 17.409 -3.751 -1.940 1.00 1.19 H new ATOM 0 HD22 LEU A 127 17.332 -2.632 -3.322 1.00 1.19 H new ATOM 0 HD23 LEU A 127 15.836 -3.328 -2.657 1.00 1.19 H new