USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 872 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 131 LYS NZ :NH3+ 177:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 133 GLN : amide:sc= 0.655 K(o=1.9,f=-4.7) USER MOD Set 2.1: A 115 TYR OH : rot -171:sc= 1.14 USER MOD Set 2.2: A 145 ASN : amide:sc= 0.225 K(o=1.4,f=-0.56!) USER MOD Set 3.1: A 79 ASN : amide:sc= -0.256 K(o=1.2,f=-1.8!) USER MOD Set 3.2: A 123 TYR OH : rot 9:sc= 1.44 USER MOD Set 4.1: A 40 THR OG1 : rot 55:sc= 0.408 USER MOD Set 4.2: A 53 TYR OH : rot -39:sc= 0.862 USER MOD Set 4.3: A 76 LYS NZ :NH3+ -153:sc= 0.965 (180deg=-0.706) USER MOD Set 4.4: A 106 HIS : no HE2:sc= -1.85 K(o=0.38,f=-17!) USER MOD Single : A 39 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.3) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00711 (180deg=-0.135) USER MOD Single : A 52 THR OG1 : rot 174:sc= 0.894 USER MOD Single : A 56 THR OG1 : rot 35:sc= 1.28 USER MOD Single : A 60 SER OG : rot 60:sc= 0.887 USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.894) USER MOD Single : A 68 THR OG1 : rot 159:sc= 0.595 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 77 GLN : amide:sc= -5.52! K(o=-5.5!,f=-3) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.768) USER MOD Single : A 84 HIS : no HE2:sc= -0.379 K(o=-0.38,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 1.77 (180deg=1.53) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.629 K(o=0.63,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= 1.15 (180deg=-1.54!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.2) USER MOD Single : A 117 GLN : amide:sc= -0.749 K(o=-0.75,f=-3.9!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 35:sc= 0.539 USER MOD Single : A 138 SER OG : rot 180:sc=-0.00458 USER MOD Single : A 142 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.06) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 149 HIS : no HE2:sc= 0.0816 K(o=0.082,f=-5.5!) USER MOD Single : A 155 LYS NZ :NH3+ -119:sc= 0.7 (180deg=-1.36!) USER MOD Single : A 156 GLN : amide:sc= 0.56 K(o=0.56,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -7.948 -13.928 -2.875 1.00 2.57 N ATOM 561 CA GLY A 37 -8.309 -12.785 -3.696 1.00 2.09 C ATOM 562 C GLY A 37 -9.824 -12.699 -3.873 1.00 1.94 C ATOM 563 O GLY A 37 -10.459 -11.785 -3.341 1.00 2.47 O ATOM 0 HA2 GLY A 37 -7.940 -11.869 -3.234 1.00 2.09 H new ATOM 0 HA3 GLY A 37 -7.829 -12.866 -4.671 1.00 2.09 H new ATOM 567 N GLU A 38 -10.378 -13.642 -4.643 1.00 1.88 N ATOM 568 CA GLU A 38 -11.773 -13.782 -5.047 1.00 1.85 C ATOM 569 C GLU A 38 -12.391 -12.460 -5.522 1.00 1.54 C ATOM 570 O GLU A 38 -12.492 -12.172 -6.715 1.00 1.42 O ATOM 571 CB GLU A 38 -12.598 -14.444 -3.925 1.00 2.13 C ATOM 572 CG GLU A 38 -12.141 -15.864 -3.533 1.00 2.74 C ATOM 573 CD GLU A 38 -13.005 -16.450 -2.415 1.00 3.45 C ATOM 574 OE1 GLU A 38 -12.616 -17.499 -1.851 1.00 4.70 O ATOM 575 OE2 GLU A 38 -14.024 -15.810 -2.079 1.00 3.47 O ATOM 0 H GLU A 38 -9.806 -14.392 -5.032 1.00 1.88 H new ATOM 0 HA GLU A 38 -11.796 -14.441 -5.915 1.00 1.85 H new ATOM 0 HB2 GLU A 38 -12.557 -13.808 -3.041 1.00 2.13 H new ATOM 0 HB3 GLU A 38 -13.641 -14.488 -4.238 1.00 2.13 H new ATOM 0 HG2 GLU A 38 -12.186 -16.515 -4.406 1.00 2.74 H new ATOM 0 HG3 GLU A 38 -11.100 -15.835 -3.211 1.00 2.74 H new ATOM 582 N HIS A 39 -12.800 -11.649 -4.550 1.00 1.58 N ATOM 583 CA HIS A 39 -13.462 -10.374 -4.706 1.00 1.59 C ATOM 584 C HIS A 39 -12.678 -9.464 -5.648 1.00 1.32 C ATOM 585 O HIS A 39 -13.274 -8.790 -6.482 1.00 1.34 O ATOM 586 CB HIS A 39 -13.609 -9.752 -3.317 1.00 2.09 C ATOM 587 CG HIS A 39 -14.173 -10.717 -2.306 1.00 2.94 C ATOM 588 ND1 HIS A 39 -13.477 -11.309 -1.273 1.00 4.20 N ATOM 589 CD2 HIS A 39 -15.480 -11.112 -2.210 1.00 3.45 C ATOM 590 CE1 HIS A 39 -14.363 -12.003 -0.540 1.00 4.83 C ATOM 591 NE2 HIS A 39 -15.599 -11.884 -1.052 1.00 4.46 N ATOM 0 H HIS A 39 -12.664 -11.890 -3.568 1.00 1.58 H new ATOM 0 HA HIS A 39 -14.446 -10.510 -5.155 1.00 1.59 H new ATOM 0 HB2 HIS A 39 -12.635 -9.401 -2.975 1.00 2.09 H new ATOM 0 HB3 HIS A 39 -14.258 -8.878 -3.381 1.00 2.09 H new ATOM 0 HD2 HIS A 39 -16.273 -10.871 -2.902 1.00 3.45 H new ATOM 0 HE1 HIS A 39 -14.116 -12.578 0.340 1.00 4.83 H new ATOM 0 HE2 HIS A 39 -16.458 -12.280 -0.670 1.00 4.46 H new ATOM 599 N THR A 40 -11.348 -9.445 -5.508 1.00 1.30 N ATOM 600 CA THR A 40 -10.486 -8.626 -6.355 1.00 1.29 C ATOM 601 C THR A 40 -10.725 -8.933 -7.835 1.00 1.08 C ATOM 602 O THR A 40 -11.086 -8.051 -8.609 1.00 1.27 O ATOM 603 CB THR A 40 -9.016 -8.731 -5.902 1.00 1.62 C ATOM 604 OG1 THR A 40 -8.200 -7.814 -6.604 1.00 2.85 O ATOM 605 CG2 THR A 40 -8.423 -10.137 -6.040 1.00 2.71 C ATOM 0 H THR A 40 -10.846 -9.993 -4.810 1.00 1.30 H new ATOM 0 HA THR A 40 -10.748 -7.575 -6.237 1.00 1.29 H new ATOM 0 HB THR A 40 -9.029 -8.488 -4.839 1.00 1.62 H new ATOM 0 HG1 THR A 40 -8.563 -6.909 -6.504 1.00 2.85 H new ATOM 0 HG21 THR A 40 -7.387 -10.130 -5.702 1.00 2.71 H new ATOM 0 HG22 THR A 40 -8.998 -10.836 -5.433 1.00 2.71 H new ATOM 0 HG23 THR A 40 -8.461 -10.447 -7.084 1.00 2.71 H new ATOM 613 N SER A 41 -10.552 -10.193 -8.216 1.00 0.96 N ATOM 614 CA SER A 41 -10.745 -10.677 -9.570 1.00 0.91 C ATOM 615 C SER A 41 -12.177 -10.374 -10.009 1.00 0.89 C ATOM 616 O SER A 41 -12.403 -9.688 -11.008 1.00 1.00 O ATOM 617 CB SER A 41 -10.427 -12.177 -9.581 1.00 1.04 C ATOM 618 OG SER A 41 -9.248 -12.392 -8.823 1.00 1.82 O ATOM 0 H SER A 41 -10.264 -10.926 -7.568 1.00 0.96 H new ATOM 0 HA SER A 41 -10.082 -10.181 -10.279 1.00 0.91 H new ATOM 0 HB2 SER A 41 -11.257 -12.743 -9.159 1.00 1.04 H new ATOM 0 HB3 SER A 41 -10.289 -12.528 -10.604 1.00 1.04 H new ATOM 0 HG SER A 41 -9.032 -13.348 -8.819 1.00 1.82 H new ATOM 624 N PHE A 42 -13.131 -10.848 -9.203 1.00 1.02 N ATOM 625 CA PHE A 42 -14.565 -10.702 -9.406 1.00 1.32 C ATOM 626 C PHE A 42 -14.974 -9.253 -9.700 1.00 1.51 C ATOM 627 O PHE A 42 -15.832 -9.023 -10.552 1.00 1.80 O ATOM 628 CB PHE A 42 -15.276 -11.260 -8.169 1.00 1.63 C ATOM 629 CG PHE A 42 -16.786 -11.169 -8.195 1.00 1.85 C ATOM 630 CD1 PHE A 42 -17.527 -12.053 -9.001 1.00 2.74 C ATOM 631 CD2 PHE A 42 -17.456 -10.239 -7.376 1.00 2.42 C ATOM 632 CE1 PHE A 42 -18.931 -12.022 -8.975 1.00 3.13 C ATOM 633 CE2 PHE A 42 -18.861 -10.211 -7.347 1.00 2.64 C ATOM 634 CZ PHE A 42 -19.599 -11.105 -8.144 1.00 2.61 C ATOM 0 H PHE A 42 -12.909 -11.367 -8.354 1.00 1.02 H new ATOM 0 HA PHE A 42 -14.863 -11.264 -10.291 1.00 1.32 H new ATOM 0 HB2 PHE A 42 -14.994 -12.306 -8.049 1.00 1.63 H new ATOM 0 HB3 PHE A 42 -14.912 -10.728 -7.290 1.00 1.63 H new ATOM 0 HD1 PHE A 42 -17.015 -12.757 -9.641 1.00 2.74 H new ATOM 0 HD2 PHE A 42 -16.890 -9.547 -6.770 1.00 2.42 H new ATOM 0 HE1 PHE A 42 -19.498 -12.702 -9.593 1.00 3.13 H new ATOM 0 HE2 PHE A 42 -19.374 -9.503 -6.713 1.00 2.64 H new ATOM 0 HZ PHE A 42 -20.679 -11.087 -8.118 1.00 2.61 H new ATOM 644 N ASP A 43 -14.360 -8.273 -9.021 1.00 1.52 N ATOM 645 CA ASP A 43 -14.655 -6.855 -9.230 1.00 1.83 C ATOM 646 C ASP A 43 -14.484 -6.433 -10.693 1.00 1.84 C ATOM 647 O ASP A 43 -15.151 -5.495 -11.117 1.00 2.50 O ATOM 648 CB ASP A 43 -13.787 -5.976 -8.323 1.00 1.98 C ATOM 649 CG ASP A 43 -14.313 -4.552 -8.194 1.00 2.20 C ATOM 650 OD1 ASP A 43 -15.553 -4.400 -8.133 1.00 2.71 O ATOM 651 OD2 ASP A 43 -13.478 -3.628 -8.084 1.00 2.80 O ATOM 0 H ASP A 43 -13.646 -8.445 -8.313 1.00 1.52 H new ATOM 0 HA ASP A 43 -15.703 -6.712 -8.968 1.00 1.83 H new ATOM 0 HB2 ASP A 43 -13.732 -6.428 -7.333 1.00 1.98 H new ATOM 0 HB3 ASP A 43 -12.771 -5.948 -8.718 1.00 1.98 H new ATOM 656 N LYS A 44 -13.629 -7.151 -11.444 1.00 1.34 N ATOM 657 CA LYS A 44 -13.447 -7.184 -12.898 1.00 1.36 C ATOM 658 C LYS A 44 -11.996 -6.869 -13.206 1.00 1.35 C ATOM 659 O LYS A 44 -11.685 -5.935 -13.944 1.00 1.70 O ATOM 660 CB LYS A 44 -14.428 -6.323 -13.704 1.00 1.65 C ATOM 661 CG LYS A 44 -15.822 -6.954 -13.629 1.00 2.41 C ATOM 662 CD LYS A 44 -16.888 -5.858 -13.726 1.00 2.67 C ATOM 663 CE LYS A 44 -18.314 -6.425 -13.732 1.00 4.08 C ATOM 664 NZ LYS A 44 -18.565 -7.306 -14.892 1.00 4.94 N ATOM 0 H LYS A 44 -12.978 -7.792 -10.991 1.00 1.34 H new ATOM 0 HA LYS A 44 -13.693 -8.192 -13.233 1.00 1.36 H new ATOM 0 HB2 LYS A 44 -14.452 -5.308 -13.307 1.00 1.65 H new ATOM 0 HB3 LYS A 44 -14.102 -6.252 -14.742 1.00 1.65 H new ATOM 0 HG2 LYS A 44 -15.951 -7.673 -14.438 1.00 2.41 H new ATOM 0 HG3 LYS A 44 -15.934 -7.503 -12.694 1.00 2.41 H new ATOM 0 HD2 LYS A 44 -16.777 -5.172 -12.886 1.00 2.67 H new ATOM 0 HD3 LYS A 44 -16.727 -5.278 -14.635 1.00 2.67 H new ATOM 0 HE2 LYS A 44 -18.484 -6.984 -12.812 1.00 4.08 H new ATOM 0 HE3 LYS A 44 -19.029 -5.602 -13.742 1.00 4.08 H new ATOM 0 HZ1 LYS A 44 -19.580 -7.527 -14.947 1.00 4.94 H new ATOM 0 HZ2 LYS A 44 -18.268 -6.824 -15.765 1.00 4.94 H new ATOM 0 HZ3 LYS A 44 -18.024 -8.187 -14.782 1.00 4.94 H new ATOM 678 N LEU A 45 -11.120 -7.687 -12.627 1.00 1.19 N ATOM 679 CA LEU A 45 -9.679 -7.537 -12.716 1.00 1.30 C ATOM 680 C LEU A 45 -9.057 -8.823 -13.289 1.00 1.34 C ATOM 681 O LEU A 45 -9.603 -9.905 -13.082 1.00 2.01 O ATOM 682 CB LEU A 45 -9.115 -7.169 -11.337 1.00 1.49 C ATOM 683 CG LEU A 45 -9.648 -5.832 -10.780 1.00 1.39 C ATOM 684 CD1 LEU A 45 -9.052 -5.561 -9.393 1.00 1.80 C ATOM 685 CD2 LEU A 45 -9.304 -4.633 -11.674 1.00 2.16 C ATOM 0 H LEU A 45 -11.406 -8.492 -12.070 1.00 1.19 H new ATOM 0 HA LEU A 45 -9.422 -6.726 -13.398 1.00 1.30 H new ATOM 0 HB2 LEU A 45 -9.354 -7.966 -10.633 1.00 1.49 H new ATOM 0 HB3 LEU A 45 -8.028 -7.117 -11.402 1.00 1.49 H new ATOM 0 HG LEU A 45 -10.732 -5.936 -10.736 1.00 1.39 H new ATOM 0 HD11 LEU A 45 -9.436 -4.615 -9.011 1.00 1.80 H new ATOM 0 HD12 LEU A 45 -9.330 -6.367 -8.714 1.00 1.80 H new ATOM 0 HD13 LEU A 45 -7.966 -5.508 -9.468 1.00 1.80 H new ATOM 0 HD21 LEU A 45 -9.705 -3.722 -11.231 1.00 2.16 H new ATOM 0 HD22 LEU A 45 -8.221 -4.546 -11.765 1.00 2.16 H new ATOM 0 HD23 LEU A 45 -9.741 -4.778 -12.662 1.00 2.16 H new ATOM 697 N PRO A 46 -7.952 -8.702 -14.047 1.00 1.11 N ATOM 698 CA PRO A 46 -7.302 -9.797 -14.766 1.00 1.34 C ATOM 699 C PRO A 46 -6.650 -10.826 -13.844 1.00 1.27 C ATOM 700 O PRO A 46 -6.696 -10.695 -12.625 1.00 1.40 O ATOM 701 CB PRO A 46 -6.277 -9.130 -15.693 1.00 1.85 C ATOM 702 CG PRO A 46 -6.008 -7.774 -15.049 1.00 2.00 C ATOM 703 CD PRO A 46 -7.327 -7.431 -14.367 1.00 1.51 C ATOM 0 HA PRO A 46 -8.039 -10.375 -15.323 1.00 1.34 H new ATOM 0 HB2 PRO A 46 -5.365 -9.722 -15.768 1.00 1.85 H new ATOM 0 HB3 PRO A 46 -6.669 -9.019 -16.704 1.00 1.85 H new ATOM 0 HG2 PRO A 46 -5.188 -7.826 -14.332 1.00 2.00 H new ATOM 0 HG3 PRO A 46 -5.734 -7.025 -15.792 1.00 2.00 H new ATOM 0 HD2 PRO A 46 -7.159 -6.841 -13.466 1.00 1.51 H new ATOM 0 HD3 PRO A 46 -7.963 -6.837 -15.023 1.00 1.51 H new ATOM 711 N GLU A 47 -6.026 -11.853 -14.442 1.00 1.81 N ATOM 712 CA GLU A 47 -5.340 -12.908 -13.725 1.00 2.35 C ATOM 713 C GLU A 47 -4.303 -12.329 -12.764 1.00 2.23 C ATOM 714 O GLU A 47 -4.292 -12.643 -11.581 1.00 3.44 O ATOM 715 CB GLU A 47 -4.658 -13.863 -14.721 1.00 3.19 C ATOM 716 CG GLU A 47 -4.352 -15.188 -14.010 1.00 4.15 C ATOM 717 CD GLU A 47 -3.243 -16.020 -14.639 1.00 5.12 C ATOM 718 OE1 GLU A 47 -2.715 -15.632 -15.701 1.00 5.60 O ATOM 719 OE2 GLU A 47 -2.841 -17.038 -14.029 1.00 5.98 O ATOM 0 H GLU A 47 -5.991 -11.964 -15.455 1.00 1.81 H new ATOM 0 HA GLU A 47 -6.076 -13.461 -13.142 1.00 2.35 H new ATOM 0 HB2 GLU A 47 -5.306 -14.037 -15.580 1.00 3.19 H new ATOM 0 HB3 GLU A 47 -3.738 -13.418 -15.101 1.00 3.19 H new ATOM 0 HG2 GLU A 47 -4.081 -14.973 -12.976 1.00 4.15 H new ATOM 0 HG3 GLU A 47 -5.263 -15.786 -13.983 1.00 4.15 H new ATOM 726 N GLY A 48 -3.384 -11.508 -13.267 1.00 1.55 N ATOM 727 CA GLY A 48 -2.175 -11.216 -12.514 1.00 2.16 C ATOM 728 C GLY A 48 -1.339 -10.132 -13.172 1.00 0.96 C ATOM 729 O GLY A 48 -1.777 -9.495 -14.129 1.00 2.02 O ATOM 0 H GLY A 48 -3.453 -11.044 -14.173 1.00 1.55 H new ATOM 0 HA2 GLY A 48 -2.444 -10.903 -11.505 1.00 2.16 H new ATOM 0 HA3 GLY A 48 -1.580 -12.124 -12.418 1.00 2.16 H new ATOM 733 N GLY A 49 -0.146 -9.909 -12.628 1.00 1.17 N ATOM 734 CA GLY A 49 0.789 -8.903 -13.063 1.00 1.26 C ATOM 735 C GLY A 49 0.751 -7.680 -12.152 1.00 1.24 C ATOM 736 O GLY A 49 1.284 -7.701 -11.047 1.00 1.71 O ATOM 0 H GLY A 49 0.200 -10.454 -11.838 1.00 1.17 H new ATOM 0 HA2 GLY A 49 1.796 -9.320 -13.074 1.00 1.26 H new ATOM 0 HA3 GLY A 49 0.556 -8.605 -14.085 1.00 1.26 H new ATOM 740 N ARG A 50 0.208 -6.573 -12.648 1.00 1.22 N ATOM 741 CA ARG A 50 0.386 -5.256 -12.052 1.00 1.30 C ATOM 742 C ARG A 50 -0.800 -4.342 -12.355 1.00 1.34 C ATOM 743 O ARG A 50 -1.075 -4.064 -13.520 1.00 1.58 O ATOM 744 CB ARG A 50 1.709 -4.610 -12.513 1.00 1.42 C ATOM 745 CG ARG A 50 2.978 -5.166 -11.834 1.00 1.88 C ATOM 746 CD ARG A 50 3.703 -6.309 -12.572 1.00 2.10 C ATOM 747 NE ARG A 50 3.795 -7.520 -11.730 1.00 3.13 N ATOM 748 CZ ARG A 50 4.640 -8.551 -11.876 1.00 3.80 C ATOM 749 NH1 ARG A 50 5.600 -8.509 -12.807 1.00 4.13 N ATOM 750 NH2 ARG A 50 4.513 -9.627 -11.096 1.00 4.91 N ATOM 0 H ARG A 50 -0.375 -6.566 -13.485 1.00 1.22 H new ATOM 0 HA ARG A 50 0.435 -5.390 -10.971 1.00 1.30 H new ATOM 0 HB2 ARG A 50 1.804 -4.742 -13.591 1.00 1.42 H new ATOM 0 HB3 ARG A 50 1.656 -3.537 -12.327 1.00 1.42 H new ATOM 0 HG2 ARG A 50 3.682 -4.345 -11.700 1.00 1.88 H new ATOM 0 HG3 ARG A 50 2.707 -5.519 -10.839 1.00 1.88 H new ATOM 0 HD2 ARG A 50 3.171 -6.544 -13.494 1.00 2.10 H new ATOM 0 HD3 ARG A 50 4.704 -5.984 -12.856 1.00 2.10 H new ATOM 0 HE ARG A 50 3.141 -7.578 -10.949 1.00 3.13 H new ATOM 0 HH11 ARG A 50 5.691 -7.691 -13.409 1.00 4.13 H new ATOM 0 HH12 ARG A 50 6.241 -9.295 -12.915 1.00 4.13 H new ATOM 0 HH21 ARG A 50 3.775 -9.663 -10.392 1.00 4.91 H new ATOM 0 HH22 ARG A 50 5.154 -10.413 -11.204 1.00 4.91 H new ATOM 764 N ALA A 51 -1.470 -3.834 -11.312 1.00 1.37 N ATOM 765 CA ALA A 51 -2.348 -2.677 -11.435 1.00 1.37 C ATOM 766 C ALA A 51 -1.528 -1.399 -11.402 1.00 1.19 C ATOM 767 O ALA A 51 -0.428 -1.375 -10.850 1.00 1.47 O ATOM 768 CB ALA A 51 -3.353 -2.608 -10.284 1.00 1.71 C ATOM 0 H ALA A 51 -1.415 -4.215 -10.367 1.00 1.37 H new ATOM 0 HA ALA A 51 -2.882 -2.779 -12.380 1.00 1.37 H new ATOM 0 HB1 ALA A 51 -3.990 -1.733 -10.410 1.00 1.71 H new ATOM 0 HB2 ALA A 51 -3.968 -3.508 -10.284 1.00 1.71 H new ATOM 0 HB3 ALA A 51 -2.818 -2.534 -9.337 1.00 1.71 H new ATOM 774 N THR A 52 -2.112 -0.315 -11.912 1.00 1.13 N ATOM 775 CA THR A 52 -1.480 0.992 -11.932 1.00 1.18 C ATOM 776 C THR A 52 -1.585 1.667 -10.551 1.00 1.21 C ATOM 777 O THR A 52 -2.190 2.724 -10.375 1.00 1.72 O ATOM 778 CB THR A 52 -2.022 1.820 -13.109 1.00 1.63 C ATOM 779 OG1 THR A 52 -1.243 2.996 -13.158 1.00 1.90 O ATOM 780 CG2 THR A 52 -3.542 2.065 -13.071 1.00 2.05 C ATOM 0 H THR A 52 -3.045 -0.326 -12.325 1.00 1.13 H new ATOM 0 HA THR A 52 -0.409 0.896 -12.113 1.00 1.18 H new ATOM 0 HB THR A 52 -1.920 1.261 -14.039 1.00 1.63 H new ATOM 0 HG1 THR A 52 -1.482 3.514 -13.955 1.00 1.90 H new ATOM 0 HG21 THR A 52 -3.837 2.656 -13.938 1.00 2.05 H new ATOM 0 HG22 THR A 52 -4.065 1.109 -13.089 1.00 2.05 H new ATOM 0 HG23 THR A 52 -3.801 2.603 -12.159 1.00 2.05 H new ATOM 788 N TYR A 53 -0.942 1.070 -9.543 1.00 1.24 N ATOM 789 CA TYR A 53 -0.825 1.660 -8.212 1.00 1.69 C ATOM 790 C TYR A 53 0.275 2.733 -8.254 1.00 1.53 C ATOM 791 O TYR A 53 1.271 2.646 -7.543 1.00 1.99 O ATOM 792 CB TYR A 53 -0.538 0.556 -7.170 1.00 2.01 C ATOM 793 CG TYR A 53 -1.725 -0.176 -6.586 1.00 1.76 C ATOM 794 CD1 TYR A 53 -2.905 -0.367 -7.328 1.00 2.18 C ATOM 795 CD2 TYR A 53 -1.578 -0.815 -5.341 1.00 2.78 C ATOM 796 CE1 TYR A 53 -3.988 -1.040 -6.745 1.00 2.59 C ATOM 797 CE2 TYR A 53 -2.660 -1.506 -4.776 1.00 2.98 C ATOM 798 CZ TYR A 53 -3.910 -1.471 -5.410 1.00 2.55 C ATOM 799 OH TYR A 53 -5.033 -1.855 -4.734 1.00 3.37 O ATOM 0 H TYR A 53 -0.488 0.161 -9.631 1.00 1.24 H new ATOM 0 HA TYR A 53 -1.758 2.138 -7.912 1.00 1.69 H new ATOM 0 HB2 TYR A 53 0.118 -0.181 -7.633 1.00 2.01 H new ATOM 0 HB3 TYR A 53 0.018 1.006 -6.347 1.00 2.01 H new ATOM 0 HD1 TYR A 53 -2.976 0.002 -8.340 1.00 2.18 H new ATOM 0 HD2 TYR A 53 -0.633 -0.773 -4.821 1.00 2.78 H new ATOM 0 HE1 TYR A 53 -4.882 -1.227 -7.322 1.00 2.59 H new ATOM 0 HE2 TYR A 53 -2.531 -2.061 -3.859 1.00 2.98 H new ATOM 0 HH TYR A 53 -5.777 -1.263 -4.972 1.00 3.37 H new ATOM 809 N ARG A 54 0.098 3.749 -9.106 1.00 1.13 N ATOM 810 CA ARG A 54 1.034 4.854 -9.253 1.00 0.98 C ATOM 811 C ARG A 54 0.634 5.916 -8.239 1.00 0.85 C ATOM 812 O ARG A 54 -0.349 6.615 -8.474 1.00 1.05 O ATOM 813 CB ARG A 54 0.928 5.415 -10.681 1.00 1.35 C ATOM 814 CG ARG A 54 2.069 6.409 -10.971 1.00 1.73 C ATOM 815 CD ARG A 54 2.715 6.157 -12.341 1.00 1.58 C ATOM 816 NE ARG A 54 1.699 6.156 -13.400 1.00 2.28 N ATOM 817 CZ ARG A 54 1.882 5.849 -14.690 1.00 3.21 C ATOM 818 NH1 ARG A 54 3.122 5.650 -15.151 1.00 3.62 N ATOM 819 NH2 ARG A 54 0.835 5.738 -15.506 1.00 4.41 N ATOM 0 H ARG A 54 -0.714 3.822 -9.719 1.00 1.13 H new ATOM 0 HA ARG A 54 2.062 4.534 -9.083 1.00 0.98 H new ATOM 0 HB2 ARG A 54 0.962 4.597 -11.400 1.00 1.35 H new ATOM 0 HB3 ARG A 54 -0.033 5.912 -10.810 1.00 1.35 H new ATOM 0 HG2 ARG A 54 1.681 7.427 -10.934 1.00 1.73 H new ATOM 0 HG3 ARG A 54 2.827 6.328 -10.192 1.00 1.73 H new ATOM 0 HD2 ARG A 54 3.459 6.927 -12.545 1.00 1.58 H new ATOM 0 HD3 ARG A 54 3.239 5.201 -12.332 1.00 1.58 H new ATOM 0 HE ARG A 54 0.753 6.417 -13.124 1.00 2.28 H new ATOM 0 HH11 ARG A 54 3.920 5.733 -14.521 1.00 3.62 H new ATOM 0 HH12 ARG A 54 3.270 5.416 -16.133 1.00 3.62 H new ATOM 0 HH21 ARG A 54 -0.108 5.887 -15.148 1.00 4.41 H new ATOM 0 HH22 ARG A 54 0.977 5.504 -16.489 1.00 4.41 H new ATOM 833 N GLY A 55 1.315 6.024 -7.098 1.00 0.76 N ATOM 834 CA GLY A 55 0.758 6.842 -6.034 1.00 0.76 C ATOM 835 C GLY A 55 1.772 7.389 -5.055 1.00 0.66 C ATOM 836 O GLY A 55 2.964 7.470 -5.349 1.00 0.78 O ATOM 0 H GLY A 55 2.210 5.578 -6.896 1.00 0.76 H new ATOM 0 HA2 GLY A 55 0.219 7.677 -6.482 1.00 0.76 H new ATOM 0 HA3 GLY A 55 0.027 6.249 -5.484 1.00 0.76 H new ATOM 840 N THR A 56 1.276 7.767 -3.879 1.00 0.68 N ATOM 841 CA THR A 56 2.062 8.318 -2.798 1.00 0.83 C ATOM 842 C THR A 56 1.470 7.866 -1.469 1.00 0.74 C ATOM 843 O THR A 56 0.267 7.617 -1.361 1.00 0.94 O ATOM 844 CB THR A 56 2.171 9.847 -2.929 1.00 1.15 C ATOM 845 OG1 THR A 56 2.969 10.383 -1.893 1.00 3.11 O ATOM 846 CG2 THR A 56 0.806 10.542 -2.896 1.00 1.89 C ATOM 0 H THR A 56 0.284 7.692 -3.654 1.00 0.68 H new ATOM 0 HA THR A 56 3.084 7.943 -2.845 1.00 0.83 H new ATOM 0 HB THR A 56 2.630 10.033 -3.900 1.00 1.15 H new ATOM 0 HG1 THR A 56 3.692 9.756 -1.679 1.00 3.11 H new ATOM 0 HG21 THR A 56 0.944 11.619 -2.992 1.00 1.89 H new ATOM 0 HG22 THR A 56 0.193 10.179 -3.721 1.00 1.89 H new ATOM 0 HG23 THR A 56 0.309 10.323 -1.951 1.00 1.89 H new ATOM 854 N ALA A 57 2.359 7.736 -0.488 1.00 0.68 N ATOM 855 CA ALA A 57 2.088 7.414 0.897 1.00 0.67 C ATOM 856 C ALA A 57 2.711 8.537 1.716 1.00 0.77 C ATOM 857 O ALA A 57 3.803 8.378 2.262 1.00 1.06 O ATOM 858 CB ALA A 57 2.733 6.068 1.214 1.00 0.71 C ATOM 0 H ALA A 57 3.356 7.863 -0.660 1.00 0.68 H new ATOM 0 HA ALA A 57 1.024 7.333 1.118 1.00 0.67 H new ATOM 0 HB1 ALA A 57 2.539 5.808 2.255 1.00 0.71 H new ATOM 0 HB2 ALA A 57 2.312 5.301 0.564 1.00 0.71 H new ATOM 0 HB3 ALA A 57 3.809 6.132 1.050 1.00 0.71 H new ATOM 864 N PHE A 58 2.067 9.701 1.738 1.00 0.69 N ATOM 865 CA PHE A 58 2.673 10.888 2.325 1.00 0.85 C ATOM 866 C PHE A 58 2.426 10.902 3.827 1.00 0.76 C ATOM 867 O PHE A 58 1.285 10.831 4.275 1.00 0.65 O ATOM 868 CB PHE A 58 2.276 12.170 1.585 1.00 1.13 C ATOM 869 CG PHE A 58 0.926 12.751 1.949 1.00 1.23 C ATOM 870 CD1 PHE A 58 0.846 13.721 2.967 1.00 2.65 C ATOM 871 CD2 PHE A 58 -0.240 12.332 1.285 1.00 1.81 C ATOM 872 CE1 PHE A 58 -0.402 14.240 3.346 1.00 3.00 C ATOM 873 CE2 PHE A 58 -1.484 12.882 1.639 1.00 1.83 C ATOM 874 CZ PHE A 58 -1.569 13.824 2.680 1.00 1.88 C ATOM 0 H PHE A 58 1.131 9.845 1.358 1.00 0.69 H new ATOM 0 HA PHE A 58 3.754 10.848 2.195 1.00 0.85 H new ATOM 0 HB2 PHE A 58 3.038 12.926 1.773 1.00 1.13 H new ATOM 0 HB3 PHE A 58 2.286 11.967 0.514 1.00 1.13 H new ATOM 0 HD1 PHE A 58 1.745 14.066 3.456 1.00 2.65 H new ATOM 0 HD2 PHE A 58 -0.180 11.589 0.504 1.00 1.81 H new ATOM 0 HE1 PHE A 58 -0.466 14.959 4.149 1.00 3.00 H new ATOM 0 HE2 PHE A 58 -2.376 12.581 1.111 1.00 1.83 H new ATOM 0 HZ PHE A 58 -2.529 14.227 2.968 1.00 1.88 H new ATOM 884 N GLY A 59 3.501 10.961 4.612 1.00 1.03 N ATOM 885 CA GLY A 59 3.406 11.039 6.055 1.00 0.93 C ATOM 886 C GLY A 59 3.031 12.467 6.413 1.00 1.22 C ATOM 887 O GLY A 59 3.334 13.385 5.659 1.00 1.74 O ATOM 0 H GLY A 59 4.458 10.956 4.259 1.00 1.03 H new ATOM 0 HA2 GLY A 59 2.656 10.341 6.428 1.00 0.93 H new ATOM 0 HA3 GLY A 59 4.354 10.765 6.517 1.00 0.93 H new ATOM 891 N SER A 60 2.416 12.683 7.574 1.00 1.13 N ATOM 892 CA SER A 60 2.165 14.041 8.047 1.00 1.56 C ATOM 893 C SER A 60 3.458 14.869 8.160 1.00 1.78 C ATOM 894 O SER A 60 3.403 16.093 8.083 1.00 2.25 O ATOM 895 CB SER A 60 1.401 13.991 9.369 1.00 1.54 C ATOM 896 OG SER A 60 0.155 13.345 9.174 1.00 2.10 O ATOM 0 H SER A 60 2.086 11.945 8.197 1.00 1.13 H new ATOM 0 HA SER A 60 1.549 14.553 7.307 1.00 1.56 H new ATOM 0 HB2 SER A 60 1.985 13.457 10.118 1.00 1.54 H new ATOM 0 HB3 SER A 60 1.243 15.001 9.748 1.00 1.54 H new ATOM 0 HG SER A 60 0.307 12.431 8.855 1.00 2.10 H new ATOM 902 N ASP A 61 4.615 14.216 8.336 1.00 1.64 N ATOM 903 CA ASP A 61 5.923 14.874 8.338 1.00 2.04 C ATOM 904 C ASP A 61 6.431 15.201 6.919 1.00 2.06 C ATOM 905 O ASP A 61 7.467 15.847 6.757 1.00 2.15 O ATOM 906 CB ASP A 61 6.901 13.938 9.066 1.00 2.19 C ATOM 907 CG ASP A 61 8.321 14.490 9.113 1.00 2.82 C ATOM 908 OD1 ASP A 61 8.557 15.405 9.925 1.00 2.62 O ATOM 909 OD2 ASP A 61 9.154 13.980 8.330 1.00 4.17 O ATOM 0 H ASP A 61 4.667 13.208 8.482 1.00 1.64 H new ATOM 0 HA ASP A 61 5.841 15.835 8.846 1.00 2.04 H new ATOM 0 HB2 ASP A 61 6.547 13.770 10.083 1.00 2.19 H new ATOM 0 HB3 ASP A 61 6.909 12.969 8.567 1.00 2.19 H new ATOM 914 N ASP A 62 5.780 14.660 5.877 1.00 2.03 N ATOM 915 CA ASP A 62 6.384 14.451 4.567 1.00 2.08 C ATOM 916 C ASP A 62 7.772 13.845 4.726 1.00 2.13 C ATOM 917 O ASP A 62 8.748 14.170 4.047 1.00 2.52 O ATOM 918 CB ASP A 62 6.308 15.693 3.668 1.00 2.50 C ATOM 919 CG ASP A 62 4.945 15.807 2.997 1.00 2.07 C ATOM 920 OD1 ASP A 62 4.314 16.873 3.152 1.00 3.28 O ATOM 921 OD2 ASP A 62 4.568 14.821 2.324 1.00 2.28 O ATOM 0 H ASP A 62 4.808 14.354 5.929 1.00 2.03 H new ATOM 0 HA ASP A 62 5.793 13.719 4.016 1.00 2.08 H new ATOM 0 HB2 ASP A 62 6.499 16.587 4.262 1.00 2.50 H new ATOM 0 HB3 ASP A 62 7.087 15.643 2.908 1.00 2.50 H new ATOM 926 N ALA A 63 7.855 12.884 5.642 1.00 1.85 N ATOM 927 CA ALA A 63 8.688 11.715 5.484 1.00 1.87 C ATOM 928 C ALA A 63 7.784 10.731 4.758 1.00 1.23 C ATOM 929 O ALA A 63 7.302 9.762 5.334 1.00 1.21 O ATOM 930 CB ALA A 63 9.087 11.207 6.860 1.00 2.20 C ATOM 0 H ALA A 63 7.337 12.903 6.521 1.00 1.85 H new ATOM 0 HA ALA A 63 9.614 11.890 4.937 1.00 1.87 H new ATOM 0 HB1 ALA A 63 9.717 10.324 6.753 1.00 2.20 H new ATOM 0 HB2 ALA A 63 9.639 11.984 7.389 1.00 2.20 H new ATOM 0 HB3 ALA A 63 8.192 10.948 7.426 1.00 2.20 H new ATOM 936 N GLY A 64 7.459 11.072 3.516 1.00 1.24 N ATOM 937 CA GLY A 64 6.397 10.441 2.770 1.00 0.91 C ATOM 938 C GLY A 64 6.987 9.743 1.554 1.00 0.83 C ATOM 939 O GLY A 64 8.045 10.140 1.070 1.00 1.26 O ATOM 0 H GLY A 64 7.939 11.808 2.998 1.00 1.24 H new ATOM 0 HA2 GLY A 64 5.873 9.721 3.399 1.00 0.91 H new ATOM 0 HA3 GLY A 64 5.664 11.185 2.457 1.00 0.91 H new ATOM 943 N GLY A 65 6.325 8.693 1.075 1.00 0.71 N ATOM 944 CA GLY A 65 6.818 7.847 0.013 1.00 0.74 C ATOM 945 C GLY A 65 6.007 7.971 -1.257 1.00 0.66 C ATOM 946 O GLY A 65 4.944 8.591 -1.301 1.00 0.92 O ATOM 0 H GLY A 65 5.412 8.408 1.428 1.00 0.71 H new ATOM 0 HA2 GLY A 65 7.856 8.103 -0.198 1.00 0.74 H new ATOM 0 HA3 GLY A 65 6.807 6.809 0.346 1.00 0.74 H new ATOM 950 N LYS A 66 6.515 7.297 -2.279 1.00 0.63 N ATOM 951 CA LYS A 66 5.794 6.976 -3.490 1.00 0.70 C ATOM 952 C LYS A 66 5.140 5.615 -3.251 1.00 0.59 C ATOM 953 O LYS A 66 5.632 4.837 -2.436 1.00 0.95 O ATOM 954 CB LYS A 66 6.800 6.902 -4.639 1.00 1.03 C ATOM 955 CG LYS A 66 7.548 8.234 -4.811 1.00 1.35 C ATOM 956 CD LYS A 66 8.862 8.065 -5.597 1.00 1.87 C ATOM 957 CE LYS A 66 9.826 7.116 -4.862 1.00 2.48 C ATOM 958 NZ LYS A 66 11.230 7.232 -5.308 1.00 3.80 N ATOM 0 H LYS A 66 7.474 6.949 -2.282 1.00 0.63 H new ATOM 0 HA LYS A 66 5.038 7.719 -3.742 1.00 0.70 H new ATOM 0 HB2 LYS A 66 7.516 6.102 -4.448 1.00 1.03 H new ATOM 0 HB3 LYS A 66 6.281 6.651 -5.564 1.00 1.03 H new ATOM 0 HG2 LYS A 66 6.905 8.946 -5.329 1.00 1.35 H new ATOM 0 HG3 LYS A 66 7.765 8.656 -3.830 1.00 1.35 H new ATOM 0 HD2 LYS A 66 8.647 7.673 -6.591 1.00 1.87 H new ATOM 0 HD3 LYS A 66 9.336 9.037 -5.733 1.00 1.87 H new ATOM 0 HE2 LYS A 66 9.776 7.319 -3.792 1.00 2.48 H new ATOM 0 HE3 LYS A 66 9.492 6.089 -5.007 1.00 2.48 H new ATOM 0 HZ1 LYS A 66 11.861 6.858 -4.570 1.00 3.80 H new ATOM 0 HZ2 LYS A 66 11.362 6.688 -6.185 1.00 3.80 H new ATOM 0 HZ3 LYS A 66 11.457 8.232 -5.483 1.00 3.80 H new ATOM 972 N LEU A 67 4.067 5.317 -3.978 1.00 0.65 N ATOM 973 CA LEU A 67 3.534 3.973 -4.098 1.00 0.67 C ATOM 974 C LEU A 67 3.886 3.518 -5.509 1.00 0.69 C ATOM 975 O LEU A 67 3.514 4.179 -6.480 1.00 0.98 O ATOM 976 CB LEU A 67 2.021 3.962 -3.850 1.00 0.76 C ATOM 977 CG LEU A 67 1.438 2.538 -3.824 1.00 0.84 C ATOM 978 CD1 LEU A 67 1.823 1.780 -2.546 1.00 0.93 C ATOM 979 CD2 LEU A 67 -0.088 2.629 -3.909 1.00 0.86 C ATOM 0 H LEU A 67 3.540 6.014 -4.505 1.00 0.65 H new ATOM 0 HA LEU A 67 3.957 3.297 -3.355 1.00 0.67 H new ATOM 0 HB2 LEU A 67 1.808 4.456 -2.902 1.00 0.76 H new ATOM 0 HB3 LEU A 67 1.524 4.540 -4.629 1.00 0.76 H new ATOM 0 HG LEU A 67 1.848 1.990 -4.673 1.00 0.84 H new ATOM 0 HD11 LEU A 67 1.390 0.780 -2.571 1.00 0.93 H new ATOM 0 HD12 LEU A 67 2.908 1.703 -2.481 1.00 0.93 H new ATOM 0 HD13 LEU A 67 1.445 2.317 -1.676 1.00 0.93 H new ATOM 0 HD21 LEU A 67 -0.514 1.626 -3.892 1.00 0.86 H new ATOM 0 HD22 LEU A 67 -0.466 3.199 -3.060 1.00 0.86 H new ATOM 0 HD23 LEU A 67 -0.372 3.127 -4.836 1.00 0.86 H new ATOM 991 N THR A 68 4.665 2.441 -5.600 1.00 0.65 N ATOM 992 CA THR A 68 5.110 1.838 -6.839 1.00 0.69 C ATOM 993 C THR A 68 4.050 0.848 -7.319 1.00 0.80 C ATOM 994 O THR A 68 3.449 0.142 -6.508 1.00 1.02 O ATOM 995 CB THR A 68 6.443 1.142 -6.548 1.00 0.88 C ATOM 996 OG1 THR A 68 6.321 0.401 -5.348 1.00 2.30 O ATOM 997 CG2 THR A 68 7.544 2.191 -6.368 1.00 1.42 C ATOM 0 H THR A 68 5.013 1.951 -4.776 1.00 0.65 H new ATOM 0 HA THR A 68 5.251 2.577 -7.627 1.00 0.69 H new ATOM 0 HB THR A 68 6.697 0.483 -7.378 1.00 0.88 H new ATOM 0 HG1 THR A 68 7.011 -0.295 -5.322 1.00 2.30 H new ATOM 0 HG21 THR A 68 8.491 1.693 -6.161 1.00 1.42 H new ATOM 0 HG22 THR A 68 7.636 2.782 -7.279 1.00 1.42 H new ATOM 0 HG23 THR A 68 7.289 2.846 -5.535 1.00 1.42 H new ATOM 1005 N TYR A 69 3.824 0.792 -8.632 1.00 0.80 N ATOM 1006 CA TYR A 69 2.683 0.090 -9.186 1.00 0.97 C ATOM 1007 C TYR A 69 2.921 -1.426 -9.238 1.00 1.01 C ATOM 1008 O TYR A 69 3.566 -1.931 -10.157 1.00 1.22 O ATOM 1009 CB TYR A 69 2.263 0.736 -10.515 1.00 1.06 C ATOM 1010 CG TYR A 69 3.283 0.711 -11.639 1.00 1.02 C ATOM 1011 CD1 TYR A 69 3.230 -0.300 -12.616 1.00 1.91 C ATOM 1012 CD2 TYR A 69 4.258 1.722 -11.735 1.00 2.04 C ATOM 1013 CE1 TYR A 69 4.198 -0.349 -13.634 1.00 1.95 C ATOM 1014 CE2 TYR A 69 5.232 1.668 -12.749 1.00 2.07 C ATOM 1015 CZ TYR A 69 5.210 0.622 -13.687 1.00 1.14 C ATOM 1016 OH TYR A 69 6.162 0.551 -14.661 1.00 1.38 O ATOM 0 H TYR A 69 4.425 1.230 -9.330 1.00 0.80 H new ATOM 0 HA TYR A 69 1.825 0.196 -8.523 1.00 0.97 H new ATOM 0 HB2 TYR A 69 1.359 0.237 -10.865 1.00 1.06 H new ATOM 0 HB3 TYR A 69 1.998 1.775 -10.319 1.00 1.06 H new ATOM 0 HD1 TYR A 69 2.444 -1.040 -12.584 1.00 1.91 H new ATOM 0 HD2 TYR A 69 4.258 2.540 -11.030 1.00 2.04 H new ATOM 0 HE1 TYR A 69 4.163 -1.134 -14.375 1.00 1.95 H new ATOM 0 HE2 TYR A 69 5.996 2.430 -12.806 1.00 2.07 H new ATOM 0 HH TYR A 69 6.789 1.297 -14.560 1.00 1.38 H new ATOM 1026 N THR A 70 2.457 -2.171 -8.226 1.00 0.92 N ATOM 1027 CA THR A 70 2.697 -3.610 -8.134 1.00 0.94 C ATOM 1028 C THR A 70 1.572 -4.337 -7.380 1.00 0.87 C ATOM 1029 O THR A 70 1.576 -4.362 -6.151 1.00 0.91 O ATOM 1030 CB THR A 70 4.077 -3.862 -7.498 1.00 1.07 C ATOM 1031 OG1 THR A 70 5.075 -3.107 -8.163 1.00 1.25 O ATOM 1032 CG2 THR A 70 4.474 -5.340 -7.578 1.00 1.34 C ATOM 0 H THR A 70 1.908 -1.792 -7.454 1.00 0.92 H new ATOM 0 HA THR A 70 2.697 -4.027 -9.141 1.00 0.94 H new ATOM 0 HB THR A 70 4.002 -3.562 -6.453 1.00 1.07 H new ATOM 0 HG1 THR A 70 5.946 -3.277 -7.746 1.00 1.25 H new ATOM 0 HG21 THR A 70 5.453 -5.479 -7.119 1.00 1.34 H new ATOM 0 HG22 THR A 70 3.737 -5.944 -7.049 1.00 1.34 H new ATOM 0 HG23 THR A 70 4.515 -5.650 -8.622 1.00 1.34 H new ATOM 1040 N ILE A 71 0.624 -4.936 -8.121 1.00 0.85 N ATOM 1041 CA ILE A 71 -0.402 -5.855 -7.616 1.00 0.87 C ATOM 1042 C ILE A 71 -0.620 -7.000 -8.617 1.00 0.89 C ATOM 1043 O ILE A 71 -1.095 -6.759 -9.726 1.00 1.28 O ATOM 1044 CB ILE A 71 -1.728 -5.119 -7.263 1.00 0.93 C ATOM 1045 CG1 ILE A 71 -2.946 -5.431 -8.166 1.00 1.02 C ATOM 1046 CG2 ILE A 71 -1.518 -3.605 -7.150 1.00 1.22 C ATOM 1047 CD1 ILE A 71 -4.252 -4.765 -7.723 1.00 1.66 C ATOM 0 H ILE A 71 0.552 -4.785 -9.127 1.00 0.85 H new ATOM 0 HA ILE A 71 -0.044 -6.285 -6.681 1.00 0.87 H new ATOM 0 HB ILE A 71 -1.994 -5.533 -6.291 1.00 0.93 H new ATOM 0 HG12 ILE A 71 -2.718 -5.114 -9.184 1.00 1.02 H new ATOM 0 HG13 ILE A 71 -3.095 -6.510 -8.194 1.00 1.02 H new ATOM 0 HG21 ILE A 71 -2.464 -3.124 -6.903 1.00 1.22 H new ATOM 0 HG22 ILE A 71 -0.789 -3.396 -6.367 1.00 1.22 H new ATOM 0 HG23 ILE A 71 -1.151 -3.217 -8.100 1.00 1.22 H new ATOM 0 HD11 ILE A 71 -5.051 -5.038 -8.412 1.00 1.66 H new ATOM 0 HD12 ILE A 71 -4.509 -5.100 -6.718 1.00 1.66 H new ATOM 0 HD13 ILE A 71 -4.127 -3.682 -7.723 1.00 1.66 H new ATOM 1059 N ASP A 72 -0.331 -8.244 -8.226 1.00 0.66 N ATOM 1060 CA ASP A 72 -0.704 -9.417 -9.008 1.00 0.63 C ATOM 1061 C ASP A 72 -2.110 -9.863 -8.578 1.00 0.66 C ATOM 1062 O ASP A 72 -2.296 -10.593 -7.599 1.00 0.93 O ATOM 1063 CB ASP A 72 0.345 -10.521 -8.868 1.00 0.78 C ATOM 1064 CG ASP A 72 1.571 -10.343 -9.747 1.00 2.23 C ATOM 1065 OD1 ASP A 72 1.549 -10.906 -10.861 1.00 3.20 O ATOM 1066 OD2 ASP A 72 2.534 -9.668 -9.320 1.00 3.23 O ATOM 0 H ASP A 72 0.166 -8.462 -7.362 1.00 0.66 H new ATOM 0 HA ASP A 72 -0.735 -9.174 -10.070 1.00 0.63 H new ATOM 0 HB2 ASP A 72 0.664 -10.571 -7.827 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -0.120 -11.478 -9.105 1.00 0.78 H new ATOM 1071 N PHE A 73 -3.092 -9.352 -9.324 1.00 0.88 N ATOM 1072 CA PHE A 73 -4.535 -9.477 -9.154 1.00 1.01 C ATOM 1073 C PHE A 73 -5.038 -10.748 -8.481 1.00 1.32 C ATOM 1074 O PHE A 73 -5.761 -10.623 -7.500 1.00 1.85 O ATOM 1075 CB PHE A 73 -5.214 -9.307 -10.504 1.00 1.07 C ATOM 1076 CG PHE A 73 -4.939 -7.956 -11.108 1.00 1.00 C ATOM 1077 CD1 PHE A 73 -3.918 -7.807 -12.054 1.00 1.93 C ATOM 1078 CD2 PHE A 73 -5.593 -6.825 -10.603 1.00 2.02 C ATOM 1079 CE1 PHE A 73 -3.628 -6.544 -12.582 1.00 2.23 C ATOM 1080 CE2 PHE A 73 -5.373 -5.574 -11.195 1.00 1.96 C ATOM 1081 CZ PHE A 73 -4.412 -5.438 -12.213 1.00 1.42 C ATOM 0 H PHE A 73 -2.871 -8.785 -10.142 1.00 0.88 H new ATOM 0 HA PHE A 73 -4.800 -8.685 -8.454 1.00 1.01 H new ATOM 0 HB2 PHE A 73 -4.868 -10.085 -11.184 1.00 1.07 H new ATOM 0 HB3 PHE A 73 -6.290 -9.440 -10.388 1.00 1.07 H new ATOM 0 HD1 PHE A 73 -3.353 -8.669 -12.377 1.00 1.93 H new ATOM 0 HD2 PHE A 73 -6.264 -6.917 -9.761 1.00 2.02 H new ATOM 0 HE1 PHE A 73 -2.805 -6.420 -13.270 1.00 2.23 H new ATOM 0 HE2 PHE A 73 -5.941 -4.715 -10.870 1.00 1.96 H new ATOM 0 HZ PHE A 73 -4.277 -4.488 -12.709 1.00 1.42 H new ATOM 1091 N ALA A 74 -4.696 -11.928 -9.017 1.00 1.31 N ATOM 1092 CA ALA A 74 -5.149 -13.255 -8.591 1.00 1.51 C ATOM 1093 C ALA A 74 -5.464 -13.305 -7.101 1.00 1.40 C ATOM 1094 O ALA A 74 -6.542 -13.732 -6.695 1.00 1.70 O ATOM 1095 CB ALA A 74 -4.063 -14.291 -8.923 1.00 1.61 C ATOM 0 H ALA A 74 -4.056 -11.982 -9.809 1.00 1.31 H new ATOM 0 HA ALA A 74 -6.070 -13.481 -9.128 1.00 1.51 H new ATOM 0 HB1 ALA A 74 -4.395 -15.280 -8.608 1.00 1.61 H new ATOM 0 HB2 ALA A 74 -3.880 -14.295 -9.998 1.00 1.61 H new ATOM 0 HB3 ALA A 74 -3.142 -14.034 -8.399 1.00 1.61 H new ATOM 1101 N ALA A 75 -4.498 -12.825 -6.316 1.00 1.10 N ATOM 1102 CA ALA A 75 -4.608 -12.668 -4.870 1.00 1.08 C ATOM 1103 C ALA A 75 -4.503 -11.206 -4.423 1.00 0.93 C ATOM 1104 O ALA A 75 -4.950 -10.874 -3.321 1.00 1.14 O ATOM 1105 CB ALA A 75 -3.553 -13.526 -4.181 1.00 1.14 C ATOM 0 H ALA A 75 -3.594 -12.527 -6.682 1.00 1.10 H new ATOM 0 HA ALA A 75 -5.602 -13.005 -4.576 1.00 1.08 H new ATOM 0 HB1 ALA A 75 -3.636 -13.408 -3.101 1.00 1.14 H new ATOM 0 HB2 ALA A 75 -3.706 -14.573 -4.444 1.00 1.14 H new ATOM 0 HB3 ALA A 75 -2.561 -13.212 -4.505 1.00 1.14 H new ATOM 1111 N LYS A 76 -3.890 -10.348 -5.250 1.00 0.74 N ATOM 1112 CA LYS A 76 -3.737 -8.927 -5.044 1.00 0.70 C ATOM 1113 C LYS A 76 -2.765 -8.623 -3.911 1.00 0.78 C ATOM 1114 O LYS A 76 -3.105 -8.001 -2.908 1.00 1.08 O ATOM 1115 CB LYS A 76 -5.107 -8.279 -4.897 1.00 0.85 C ATOM 1116 CG LYS A 76 -5.014 -6.755 -4.944 1.00 1.63 C ATOM 1117 CD LYS A 76 -5.411 -6.102 -3.614 1.00 2.96 C ATOM 1118 CE LYS A 76 -4.813 -4.688 -3.539 1.00 4.26 C ATOM 1119 NZ LYS A 76 -5.696 -3.695 -2.902 1.00 5.49 N ATOM 0 H LYS A 76 -3.469 -10.658 -6.126 1.00 0.74 H new ATOM 0 HA LYS A 76 -3.274 -8.475 -5.922 1.00 0.70 H new ATOM 0 HB2 LYS A 76 -5.763 -8.629 -5.694 1.00 0.85 H new ATOM 0 HB3 LYS A 76 -5.557 -8.588 -3.954 1.00 0.85 H new ATOM 0 HG2 LYS A 76 -3.995 -6.464 -5.198 1.00 1.63 H new ATOM 0 HG3 LYS A 76 -5.660 -6.379 -5.737 1.00 1.63 H new ATOM 0 HD2 LYS A 76 -6.497 -6.054 -3.530 1.00 2.96 H new ATOM 0 HD3 LYS A 76 -5.053 -6.705 -2.779 1.00 2.96 H new ATOM 0 HE2 LYS A 76 -3.874 -4.731 -2.987 1.00 4.26 H new ATOM 0 HE3 LYS A 76 -4.574 -4.352 -4.548 1.00 4.26 H new ATOM 0 HZ1 LYS A 76 -5.476 -2.748 -3.270 1.00 5.49 H new ATOM 0 HZ2 LYS A 76 -6.688 -3.927 -3.113 1.00 5.49 H new ATOM 0 HZ3 LYS A 76 -5.548 -3.709 -1.873 1.00 5.49 H new ATOM 1133 N GLN A 77 -1.501 -8.962 -4.138 1.00 0.72 N ATOM 1134 CA GLN A 77 -0.408 -8.576 -3.270 1.00 0.88 C ATOM 1135 C GLN A 77 -0.055 -7.141 -3.669 1.00 1.17 C ATOM 1136 O GLN A 77 0.988 -6.875 -4.259 1.00 2.05 O ATOM 1137 CB GLN A 77 0.776 -9.559 -3.378 1.00 1.10 C ATOM 1138 CG GLN A 77 0.391 -11.051 -3.417 1.00 1.22 C ATOM 1139 CD GLN A 77 0.040 -11.491 -4.839 1.00 1.19 C ATOM 1140 OE1 GLN A 77 0.922 -11.710 -5.659 1.00 2.70 O ATOM 1141 NE2 GLN A 77 -1.250 -11.535 -5.156 1.00 0.90 N ATOM 0 H GLN A 77 -1.209 -9.519 -4.941 1.00 0.72 H new ATOM 0 HA GLN A 77 -0.684 -8.614 -2.216 1.00 0.88 H new ATOM 0 HB2 GLN A 77 1.342 -9.323 -4.279 1.00 1.10 H new ATOM 0 HB3 GLN A 77 1.442 -9.394 -2.531 1.00 1.10 H new ATOM 0 HG2 GLN A 77 1.218 -11.653 -3.040 1.00 1.22 H new ATOM 0 HG3 GLN A 77 -0.459 -11.228 -2.758 1.00 1.22 H new ATOM 0 HE21 GLN A 77 -1.957 -11.347 -4.445 1.00 0.90 H new ATOM 0 HE22 GLN A 77 -1.533 -11.757 -6.110 1.00 0.90 H new ATOM 1150 N GLY A 78 -1.009 -6.233 -3.452 1.00 1.01 N ATOM 1151 CA GLY A 78 -0.920 -4.862 -3.917 1.00 1.31 C ATOM 1152 C GLY A 78 -0.115 -4.042 -2.933 1.00 1.06 C ATOM 1153 O GLY A 78 -0.658 -3.603 -1.920 1.00 1.23 O ATOM 0 H GLY A 78 -1.869 -6.438 -2.944 1.00 1.01 H new ATOM 0 HA2 GLY A 78 -0.451 -4.831 -4.901 1.00 1.31 H new ATOM 0 HA3 GLY A 78 -1.919 -4.439 -4.026 1.00 1.31 H new ATOM 1157 N ASN A 79 1.179 -3.874 -3.207 1.00 0.86 N ATOM 1158 CA ASN A 79 2.141 -3.388 -2.245 1.00 0.76 C ATOM 1159 C ASN A 79 3.090 -2.507 -3.040 1.00 0.87 C ATOM 1160 O ASN A 79 3.090 -2.542 -4.270 1.00 1.56 O ATOM 1161 CB ASN A 79 2.897 -4.556 -1.586 1.00 0.87 C ATOM 1162 CG ASN A 79 2.024 -5.762 -1.246 1.00 1.65 C ATOM 1163 OD1 ASN A 79 2.306 -6.870 -1.687 1.00 3.00 O ATOM 1164 ND2 ASN A 79 0.964 -5.572 -0.463 1.00 1.35 N ATOM 0 H ASN A 79 1.584 -4.078 -4.121 1.00 0.86 H new ATOM 0 HA ASN A 79 1.662 -2.839 -1.434 1.00 0.76 H new ATOM 0 HB2 ASN A 79 3.696 -4.878 -2.254 1.00 0.87 H new ATOM 0 HB3 ASN A 79 3.371 -4.197 -0.672 1.00 0.87 H new ATOM 0 HD21 ASN A 79 0.364 -6.359 -0.217 1.00 1.35 H new ATOM 0 HD22 ASN A 79 0.752 -4.639 -0.109 1.00 1.35 H new ATOM 1171 N GLY A 80 3.897 -1.710 -2.355 1.00 0.74 N ATOM 1172 CA GLY A 80 4.891 -0.891 -3.003 1.00 0.83 C ATOM 1173 C GLY A 80 6.008 -0.561 -2.029 1.00 1.00 C ATOM 1174 O GLY A 80 5.947 -0.920 -0.851 1.00 1.75 O ATOM 0 H GLY A 80 3.876 -1.618 -1.339 1.00 0.74 H new ATOM 0 HA2 GLY A 80 5.296 -1.414 -3.870 1.00 0.83 H new ATOM 0 HA3 GLY A 80 4.434 0.028 -3.370 1.00 0.83 H new ATOM 1178 N LYS A 81 7.023 0.120 -2.554 1.00 0.79 N ATOM 1179 CA LYS A 81 8.175 0.556 -1.768 1.00 0.91 C ATOM 1180 C LYS A 81 8.260 2.081 -1.632 1.00 0.87 C ATOM 1181 O LYS A 81 8.484 2.813 -2.598 1.00 1.18 O ATOM 1182 CB LYS A 81 9.465 -0.134 -2.222 1.00 1.04 C ATOM 1183 CG LYS A 81 9.956 0.172 -3.638 1.00 1.71 C ATOM 1184 CD LYS A 81 11.126 -0.790 -3.903 1.00 2.14 C ATOM 1185 CE LYS A 81 11.830 -0.566 -5.246 1.00 3.32 C ATOM 1186 NZ LYS A 81 12.582 0.703 -5.265 1.00 4.78 N ATOM 0 H LYS A 81 7.071 0.386 -3.538 1.00 0.79 H new ATOM 0 HA LYS A 81 8.025 0.218 -0.743 1.00 0.91 H new ATOM 0 HB2 LYS A 81 10.257 0.136 -1.523 1.00 1.04 H new ATOM 0 HB3 LYS A 81 9.320 -1.211 -2.139 1.00 1.04 H new ATOM 0 HG2 LYS A 81 9.159 0.025 -4.367 1.00 1.71 H new ATOM 0 HG3 LYS A 81 10.278 1.210 -3.723 1.00 1.71 H new ATOM 0 HD2 LYS A 81 11.856 -0.686 -3.101 1.00 2.14 H new ATOM 0 HD3 LYS A 81 10.755 -1.814 -3.866 1.00 2.14 H new ATOM 0 HE2 LYS A 81 12.510 -1.395 -5.443 1.00 3.32 H new ATOM 0 HE3 LYS A 81 11.091 -0.563 -6.048 1.00 3.32 H new ATOM 0 HZ1 LYS A 81 13.203 0.726 -6.099 1.00 4.78 H new ATOM 0 HZ2 LYS A 81 11.916 1.501 -5.307 1.00 4.78 H new ATOM 0 HZ3 LYS A 81 13.158 0.778 -4.402 1.00 4.78 H new ATOM 1200 N ILE A 82 8.094 2.546 -0.394 1.00 0.70 N ATOM 1201 CA ILE A 82 8.154 3.933 0.035 1.00 0.78 C ATOM 1202 C ILE A 82 9.636 4.301 0.145 1.00 0.76 C ATOM 1203 O ILE A 82 10.201 4.353 1.239 1.00 1.07 O ATOM 1204 CB ILE A 82 7.375 4.057 1.367 1.00 0.87 C ATOM 1205 CG1 ILE A 82 5.867 3.903 1.114 1.00 1.36 C ATOM 1206 CG2 ILE A 82 7.702 5.335 2.163 1.00 1.48 C ATOM 1207 CD1 ILE A 82 5.071 3.723 2.414 1.00 1.83 C ATOM 0 H ILE A 82 7.901 1.916 0.385 1.00 0.70 H new ATOM 0 HA ILE A 82 7.689 4.629 -0.664 1.00 0.78 H new ATOM 0 HB ILE A 82 7.709 3.240 2.007 1.00 0.87 H new ATOM 0 HG12 ILE A 82 5.499 4.782 0.584 1.00 1.36 H new ATOM 0 HG13 ILE A 82 5.696 3.044 0.465 1.00 1.36 H new ATOM 0 HG21 ILE A 82 7.118 5.350 3.083 1.00 1.48 H new ATOM 0 HG22 ILE A 82 8.764 5.350 2.408 1.00 1.48 H new ATOM 0 HG23 ILE A 82 7.456 6.211 1.562 1.00 1.48 H new ATOM 0 HD11 ILE A 82 4.011 3.619 2.180 1.00 1.83 H new ATOM 0 HD12 ILE A 82 5.418 2.829 2.932 1.00 1.83 H new ATOM 0 HD13 ILE A 82 5.217 4.593 3.054 1.00 1.83 H new ATOM 1219 N GLU A 83 10.260 4.532 -1.016 1.00 0.69 N ATOM 1220 CA GLU A 83 11.692 4.742 -1.142 1.00 0.72 C ATOM 1221 C GLU A 83 12.025 6.079 -1.824 1.00 1.01 C ATOM 1222 O GLU A 83 12.114 6.147 -3.054 1.00 1.66 O ATOM 1223 CB GLU A 83 12.293 3.549 -1.889 1.00 0.89 C ATOM 1224 CG GLU A 83 13.808 3.506 -1.667 1.00 0.98 C ATOM 1225 CD GLU A 83 14.474 2.411 -2.491 1.00 1.40 C ATOM 1226 OE1 GLU A 83 13.748 1.763 -3.278 1.00 1.95 O ATOM 1227 OE2 GLU A 83 15.705 2.265 -2.363 1.00 2.37 O ATOM 0 H GLU A 83 9.766 4.577 -1.907 1.00 0.69 H new ATOM 0 HA GLU A 83 12.135 4.806 -0.148 1.00 0.72 H new ATOM 0 HB2 GLU A 83 11.839 2.622 -1.538 1.00 0.89 H new ATOM 0 HB3 GLU A 83 12.075 3.628 -2.954 1.00 0.89 H new ATOM 0 HG2 GLU A 83 14.241 4.471 -1.930 1.00 0.98 H new ATOM 0 HG3 GLU A 83 14.015 3.341 -0.610 1.00 0.98 H new ATOM 1234 N HIS A 84 12.212 7.144 -1.035 1.00 0.78 N ATOM 1235 CA HIS A 84 12.987 8.324 -1.448 1.00 0.84 C ATOM 1236 C HIS A 84 13.551 9.218 -0.327 1.00 0.87 C ATOM 1237 O HIS A 84 14.245 10.173 -0.662 1.00 1.49 O ATOM 1238 CB HIS A 84 12.203 9.201 -2.443 1.00 1.28 C ATOM 1239 CG HIS A 84 11.306 10.253 -1.834 1.00 1.85 C ATOM 1240 ND1 HIS A 84 11.726 11.402 -1.196 1.00 3.30 N ATOM 1241 CD2 HIS A 84 9.946 10.334 -1.979 1.00 2.03 C ATOM 1242 CE1 HIS A 84 10.636 12.149 -0.951 1.00 4.28 C ATOM 1243 NE2 HIS A 84 9.533 11.547 -1.425 1.00 3.55 N ATOM 0 H HIS A 84 11.831 7.214 -0.091 1.00 0.78 H new ATOM 0 HA HIS A 84 13.859 7.872 -1.920 1.00 0.84 H new ATOM 0 HB2 HIS A 84 12.917 9.697 -3.100 1.00 1.28 H new ATOM 0 HB3 HIS A 84 11.593 8.549 -3.069 1.00 1.28 H new ATOM 0 HD1 HIS A 84 12.688 11.641 -0.954 1.00 3.30 H new ATOM 0 HD2 HIS A 84 9.309 9.593 -2.439 1.00 2.03 H new ATOM 0 HE1 HIS A 84 10.646 13.102 -0.443 1.00 4.28 H new ATOM 1251 N LEU A 85 13.159 9.030 0.939 1.00 0.84 N ATOM 1252 CA LEU A 85 12.555 10.072 1.777 1.00 1.31 C ATOM 1253 C LEU A 85 13.419 11.327 1.983 1.00 2.31 C ATOM 1254 O LEU A 85 13.600 12.110 1.052 1.00 3.99 O ATOM 1255 CB LEU A 85 12.020 9.399 3.062 1.00 1.15 C ATOM 1256 CG LEU A 85 10.560 8.995 2.862 1.00 1.06 C ATOM 1257 CD1 LEU A 85 10.305 8.110 1.640 1.00 1.76 C ATOM 1258 CD2 LEU A 85 9.978 8.277 4.078 1.00 2.09 C ATOM 0 H LEU A 85 13.254 8.134 1.417 1.00 0.84 H new ATOM 0 HA LEU A 85 11.711 10.515 1.247 1.00 1.31 H new ATOM 0 HB2 LEU A 85 12.621 8.522 3.302 1.00 1.15 H new ATOM 0 HB3 LEU A 85 12.106 10.084 3.906 1.00 1.15 H new ATOM 0 HG LEU A 85 10.062 9.952 2.705 1.00 1.06 H new ATOM 0 HD11 LEU A 85 9.243 7.873 1.578 1.00 1.76 H new ATOM 0 HD12 LEU A 85 10.613 8.638 0.738 1.00 1.76 H new ATOM 0 HD13 LEU A 85 10.878 7.187 1.733 1.00 1.76 H new ATOM 0 HD21 LEU A 85 8.939 8.013 3.882 1.00 2.09 H new ATOM 0 HD22 LEU A 85 10.552 7.371 4.275 1.00 2.09 H new ATOM 0 HD23 LEU A 85 10.027 8.934 4.946 1.00 2.09 H new ATOM 1270 N LYS A 86 13.880 11.569 3.211 1.00 1.77 N ATOM 1271 CA LYS A 86 14.971 12.478 3.529 1.00 2.16 C ATOM 1272 C LYS A 86 16.159 11.694 4.101 1.00 1.87 C ATOM 1273 O LYS A 86 17.301 12.095 3.891 1.00 2.21 O ATOM 1274 CB LYS A 86 14.518 13.610 4.466 1.00 2.54 C ATOM 1275 CG LYS A 86 13.896 13.142 5.792 1.00 2.28 C ATOM 1276 CD LYS A 86 12.362 13.181 5.770 1.00 3.13 C ATOM 1277 CE LYS A 86 11.848 14.593 6.129 1.00 3.72 C ATOM 1278 NZ LYS A 86 10.373 14.701 6.173 1.00 5.04 N ATOM 0 H LYS A 86 13.487 11.119 4.038 1.00 1.77 H new ATOM 0 HA LYS A 86 15.297 12.960 2.607 1.00 2.16 H new ATOM 0 HB2 LYS A 86 15.376 14.244 4.688 1.00 2.54 H new ATOM 0 HB3 LYS A 86 13.792 14.229 3.939 1.00 2.54 H new ATOM 0 HG2 LYS A 86 14.227 12.126 6.006 1.00 2.28 H new ATOM 0 HG3 LYS A 86 14.260 13.773 6.603 1.00 2.28 H new ATOM 0 HD2 LYS A 86 12.000 12.897 4.782 1.00 3.13 H new ATOM 0 HD3 LYS A 86 11.964 12.453 6.477 1.00 3.13 H new ATOM 0 HE2 LYS A 86 12.253 14.880 7.099 1.00 3.72 H new ATOM 0 HE3 LYS A 86 12.233 15.305 5.399 1.00 3.72 H new ATOM 0 HZ1 LYS A 86 10.102 15.689 6.353 1.00 5.04 H new ATOM 0 HZ2 LYS A 86 9.975 14.393 5.263 1.00 5.04 H new ATOM 0 HZ3 LYS A 86 10.003 14.097 6.935 1.00 5.04 H new ATOM 1292 N SER A 87 15.895 10.586 4.810 1.00 1.38 N ATOM 1293 CA SER A 87 16.923 9.803 5.489 1.00 1.32 C ATOM 1294 C SER A 87 16.753 8.334 5.085 1.00 1.24 C ATOM 1295 O SER A 87 15.630 7.939 4.770 1.00 1.18 O ATOM 1296 CB SER A 87 16.788 9.992 7.009 1.00 1.36 C ATOM 1297 OG SER A 87 16.349 11.300 7.331 1.00 1.76 O ATOM 0 H SER A 87 14.954 10.211 4.925 1.00 1.38 H new ATOM 0 HA SER A 87 17.921 10.133 5.202 1.00 1.32 H new ATOM 0 HB2 SER A 87 16.083 9.262 7.407 1.00 1.36 H new ATOM 0 HB3 SER A 87 17.749 9.801 7.488 1.00 1.36 H new ATOM 0 HG SER A 87 16.271 11.389 8.304 1.00 1.76 H new ATOM 1303 N PRO A 88 17.822 7.524 5.053 1.00 1.32 N ATOM 1304 CA PRO A 88 17.750 6.124 4.652 1.00 1.32 C ATOM 1305 C PRO A 88 16.761 5.331 5.516 1.00 1.29 C ATOM 1306 O PRO A 88 15.875 4.661 4.984 1.00 1.46 O ATOM 1307 CB PRO A 88 19.181 5.582 4.744 1.00 1.57 C ATOM 1308 CG PRO A 88 19.902 6.569 5.661 1.00 1.70 C ATOM 1309 CD PRO A 88 19.185 7.889 5.397 1.00 1.55 C ATOM 0 HA PRO A 88 17.368 6.023 3.636 1.00 1.32 H new ATOM 0 HB2 PRO A 88 19.198 4.573 5.155 1.00 1.57 H new ATOM 0 HB3 PRO A 88 19.652 5.535 3.762 1.00 1.57 H new ATOM 0 HG2 PRO A 88 19.826 6.273 6.707 1.00 1.70 H new ATOM 0 HG3 PRO A 88 20.964 6.635 5.424 1.00 1.70 H new ATOM 0 HD2 PRO A 88 19.210 8.532 6.276 1.00 1.55 H new ATOM 0 HD3 PRO A 88 19.661 8.440 4.586 1.00 1.55 H new ATOM 1317 N GLU A 89 16.895 5.444 6.840 1.00 1.36 N ATOM 1318 CA GLU A 89 16.137 4.709 7.844 1.00 1.42 C ATOM 1319 C GLU A 89 14.631 4.852 7.621 1.00 1.26 C ATOM 1320 O GLU A 89 13.858 3.939 7.897 1.00 1.48 O ATOM 1321 CB GLU A 89 16.494 5.218 9.252 1.00 1.68 C ATOM 1322 CG GLU A 89 17.985 5.531 9.481 1.00 2.07 C ATOM 1323 CD GLU A 89 18.322 6.998 9.222 1.00 2.69 C ATOM 1324 OE1 GLU A 89 17.858 7.507 8.176 1.00 3.38 O ATOM 1325 OE2 GLU A 89 19.029 7.589 10.062 1.00 3.59 O ATOM 0 H GLU A 89 17.571 6.084 7.257 1.00 1.36 H new ATOM 0 HA GLU A 89 16.401 3.655 7.753 1.00 1.42 H new ATOM 0 HB2 GLU A 89 15.916 6.120 9.452 1.00 1.68 H new ATOM 0 HB3 GLU A 89 16.181 4.471 9.981 1.00 1.68 H new ATOM 0 HG2 GLU A 89 18.253 5.276 10.506 1.00 2.07 H new ATOM 0 HG3 GLU A 89 18.589 4.902 8.827 1.00 2.07 H new ATOM 1332 N LEU A 90 14.219 6.029 7.149 1.00 1.22 N ATOM 1333 CA LEU A 90 12.830 6.353 6.910 1.00 1.14 C ATOM 1334 C LEU A 90 12.185 5.485 5.831 1.00 1.04 C ATOM 1335 O LEU A 90 10.961 5.367 5.824 1.00 1.25 O ATOM 1336 CB LEU A 90 12.716 7.834 6.516 1.00 1.07 C ATOM 1337 CG LEU A 90 12.074 8.730 7.575 1.00 1.37 C ATOM 1338 CD1 LEU A 90 10.677 8.250 8.003 1.00 1.53 C ATOM 1339 CD2 LEU A 90 12.999 8.915 8.775 1.00 2.19 C ATOM 0 H LEU A 90 14.859 6.790 6.921 1.00 1.22 H new ATOM 0 HA LEU A 90 12.291 6.154 7.836 1.00 1.14 H new ATOM 0 HB2 LEU A 90 13.713 8.214 6.294 1.00 1.07 H new ATOM 0 HB3 LEU A 90 12.135 7.908 5.597 1.00 1.07 H new ATOM 0 HG LEU A 90 11.927 9.704 7.109 1.00 1.37 H new ATOM 0 HD11 LEU A 90 10.275 8.927 8.756 1.00 1.53 H new ATOM 0 HD12 LEU A 90 10.016 8.236 7.137 1.00 1.53 H new ATOM 0 HD13 LEU A 90 10.749 7.245 8.420 1.00 1.53 H new ATOM 0 HD21 LEU A 90 12.516 9.557 9.512 1.00 2.19 H new ATOM 0 HD22 LEU A 90 13.212 7.945 9.223 1.00 2.19 H new ATOM 0 HD23 LEU A 90 13.931 9.376 8.448 1.00 2.19 H new ATOM 1351 N ASN A 91 12.952 4.956 4.874 1.00 0.91 N ATOM 1352 CA ASN A 91 12.358 4.346 3.699 1.00 0.99 C ATOM 1353 C ASN A 91 11.711 3.030 4.102 1.00 0.95 C ATOM 1354 O ASN A 91 12.281 2.255 4.870 1.00 1.53 O ATOM 1355 CB ASN A 91 13.389 4.200 2.580 1.00 1.12 C ATOM 1356 CG ASN A 91 13.861 5.585 2.149 1.00 1.38 C ATOM 1357 OD1 ASN A 91 13.213 6.274 1.365 1.00 2.51 O ATOM 1358 ND2 ASN A 91 14.963 6.049 2.718 1.00 0.92 N ATOM 0 H ASN A 91 13.972 4.941 4.895 1.00 0.91 H new ATOM 0 HA ASN A 91 11.576 4.988 3.292 1.00 0.99 H new ATOM 0 HB2 ASN A 91 14.235 3.605 2.924 1.00 1.12 H new ATOM 0 HB3 ASN A 91 12.952 3.672 1.733 1.00 1.12 H new ATOM 0 HD21 ASN A 91 15.287 6.993 2.508 1.00 0.92 H new ATOM 0 HD22 ASN A 91 15.488 5.462 3.367 1.00 0.92 H new ATOM 1365 N VAL A 92 10.487 2.824 3.625 1.00 0.62 N ATOM 1366 CA VAL A 92 9.632 1.726 4.039 1.00 0.59 C ATOM 1367 C VAL A 92 9.368 0.813 2.850 1.00 0.56 C ATOM 1368 O VAL A 92 9.134 1.286 1.741 1.00 0.67 O ATOM 1369 CB VAL A 92 8.334 2.272 4.677 1.00 0.61 C ATOM 1370 CG1 VAL A 92 7.203 1.237 4.737 1.00 0.92 C ATOM 1371 CG2 VAL A 92 8.575 2.804 6.093 1.00 0.91 C ATOM 0 H VAL A 92 10.057 3.430 2.926 1.00 0.62 H new ATOM 0 HA VAL A 92 10.129 1.129 4.804 1.00 0.59 H new ATOM 0 HB VAL A 92 8.024 3.084 4.019 1.00 0.61 H new ATOM 0 HG11 VAL A 92 6.322 1.687 5.196 1.00 0.92 H new ATOM 0 HG12 VAL A 92 6.958 0.907 3.727 1.00 0.92 H new ATOM 0 HG13 VAL A 92 7.524 0.381 5.330 1.00 0.92 H new ATOM 0 HG21 VAL A 92 7.638 3.178 6.505 1.00 0.91 H new ATOM 0 HG22 VAL A 92 8.954 2.000 6.724 1.00 0.91 H new ATOM 0 HG23 VAL A 92 9.305 3.613 6.058 1.00 0.91 H new ATOM 1381 N ASP A 93 9.345 -0.496 3.095 1.00 0.61 N ATOM 1382 CA ASP A 93 8.796 -1.468 2.166 1.00 0.62 C ATOM 1383 C ASP A 93 7.486 -1.962 2.767 1.00 0.72 C ATOM 1384 O ASP A 93 7.418 -2.239 3.969 1.00 0.76 O ATOM 1385 CB ASP A 93 9.775 -2.624 1.944 1.00 0.67 C ATOM 1386 CG ASP A 93 10.891 -2.248 0.981 1.00 1.26 C ATOM 1387 OD1 ASP A 93 11.990 -1.922 1.477 1.00 2.66 O ATOM 1388 OD2 ASP A 93 10.622 -2.300 -0.239 1.00 1.86 O ATOM 0 H ASP A 93 9.711 -0.910 3.952 1.00 0.61 H new ATOM 0 HA ASP A 93 8.623 -1.017 1.189 1.00 0.62 H new ATOM 0 HB2 ASP A 93 10.206 -2.923 2.900 1.00 0.67 H new ATOM 0 HB3 ASP A 93 9.235 -3.487 1.554 1.00 0.67 H new ATOM 1393 N LEU A 94 6.443 -2.030 1.939 1.00 0.99 N ATOM 1394 CA LEU A 94 5.137 -2.523 2.334 1.00 1.15 C ATOM 1395 C LEU A 94 5.095 -4.027 2.069 1.00 1.10 C ATOM 1396 O LEU A 94 5.376 -4.461 0.953 1.00 1.25 O ATOM 1397 CB LEU A 94 4.061 -1.801 1.518 1.00 1.37 C ATOM 1398 CG LEU A 94 4.073 -0.270 1.659 1.00 1.28 C ATOM 1399 CD1 LEU A 94 3.154 0.368 0.610 1.00 1.59 C ATOM 1400 CD2 LEU A 94 3.573 0.124 3.045 1.00 1.81 C ATOM 0 H LEU A 94 6.489 -1.738 0.963 1.00 0.99 H new ATOM 0 HA LEU A 94 4.953 -2.336 3.392 1.00 1.15 H new ATOM 0 HB2 LEU A 94 4.188 -2.057 0.466 1.00 1.37 H new ATOM 0 HB3 LEU A 94 3.082 -2.173 1.821 1.00 1.37 H new ATOM 0 HG LEU A 94 5.095 0.081 1.514 1.00 1.28 H new ATOM 0 HD11 LEU A 94 3.172 1.452 0.722 1.00 1.59 H new ATOM 0 HD12 LEU A 94 3.500 0.100 -0.388 1.00 1.59 H new ATOM 0 HD13 LEU A 94 2.135 0.006 0.750 1.00 1.59 H new ATOM 0 HD21 LEU A 94 3.583 1.210 3.140 1.00 1.81 H new ATOM 0 HD22 LEU A 94 2.556 -0.243 3.183 1.00 1.81 H new ATOM 0 HD23 LEU A 94 4.222 -0.313 3.804 1.00 1.81 H new ATOM 1412 N ALA A 95 4.751 -4.831 3.078 1.00 1.03 N ATOM 1413 CA ALA A 95 4.736 -6.277 2.947 1.00 1.05 C ATOM 1414 C ALA A 95 3.464 -6.744 2.237 1.00 1.04 C ATOM 1415 O ALA A 95 2.491 -5.994 2.105 1.00 1.08 O ATOM 1416 CB ALA A 95 4.872 -6.940 4.322 1.00 1.10 C ATOM 0 H ALA A 95 4.478 -4.494 4.001 1.00 1.03 H new ATOM 0 HA ALA A 95 5.589 -6.577 2.338 1.00 1.05 H new ATOM 0 HB1 ALA A 95 4.859 -8.024 4.206 1.00 1.10 H new ATOM 0 HB2 ALA A 95 5.812 -6.635 4.781 1.00 1.10 H new ATOM 0 HB3 ALA A 95 4.041 -6.633 4.958 1.00 1.10 H new ATOM 1422 N ALA A 96 3.502 -8.001 1.788 1.00 1.12 N ATOM 1423 CA ALA A 96 2.449 -8.646 1.026 1.00 1.19 C ATOM 1424 C ALA A 96 1.294 -9.123 1.897 1.00 1.27 C ATOM 1425 O ALA A 96 1.465 -9.422 3.078 1.00 2.01 O ATOM 1426 CB ALA A 96 3.040 -9.801 0.211 1.00 1.40 C ATOM 0 H ALA A 96 4.300 -8.614 1.956 1.00 1.12 H new ATOM 0 HA ALA A 96 2.027 -7.902 0.351 1.00 1.19 H new ATOM 0 HB1 ALA A 96 2.248 -10.285 -0.361 1.00 1.40 H new ATOM 0 HB2 ALA A 96 3.797 -9.415 -0.472 1.00 1.40 H new ATOM 0 HB3 ALA A 96 3.496 -10.526 0.885 1.00 1.40 H new ATOM 1432 N ALA A 97 0.111 -9.182 1.283 1.00 0.99 N ATOM 1433 CA ALA A 97 -1.098 -9.745 1.851 1.00 1.04 C ATOM 1434 C ALA A 97 -2.004 -10.150 0.690 1.00 1.05 C ATOM 1435 O ALA A 97 -2.239 -9.337 -0.201 1.00 1.31 O ATOM 1436 CB ALA A 97 -1.778 -8.706 2.741 1.00 1.45 C ATOM 0 H ALA A 97 -0.028 -8.822 0.339 1.00 0.99 H new ATOM 0 HA ALA A 97 -0.877 -10.616 2.468 1.00 1.04 H new ATOM 0 HB1 ALA A 97 -2.687 -9.131 3.167 1.00 1.45 H new ATOM 0 HB2 ALA A 97 -1.101 -8.417 3.545 1.00 1.45 H new ATOM 0 HB3 ALA A 97 -2.032 -7.828 2.147 1.00 1.45 H new ATOM 1442 N ASP A 98 -2.506 -11.383 0.715 1.00 1.15 N ATOM 1443 CA ASP A 98 -3.492 -11.898 -0.233 1.00 1.35 C ATOM 1444 C ASP A 98 -4.855 -11.520 0.335 1.00 1.63 C ATOM 1445 O ASP A 98 -5.090 -11.771 1.518 1.00 2.44 O ATOM 1446 CB ASP A 98 -3.406 -13.433 -0.343 1.00 1.67 C ATOM 1447 CG ASP A 98 -2.224 -13.977 -1.145 1.00 3.18 C ATOM 1448 OD1 ASP A 98 -2.389 -15.086 -1.704 1.00 4.56 O ATOM 1449 OD2 ASP A 98 -1.190 -13.278 -1.204 1.00 3.98 O ATOM 0 H ASP A 98 -2.230 -12.071 1.416 1.00 1.15 H new ATOM 0 HA ASP A 98 -3.321 -11.484 -1.227 1.00 1.35 H new ATOM 0 HB2 ASP A 98 -3.360 -13.849 0.664 1.00 1.67 H new ATOM 0 HB3 ASP A 98 -4.327 -13.798 -0.797 1.00 1.67 H new ATOM 1454 N ILE A 99 -5.750 -10.899 -0.444 1.00 1.11 N ATOM 1455 CA ILE A 99 -7.009 -10.443 0.149 1.00 1.10 C ATOM 1456 C ILE A 99 -8.005 -11.594 0.296 1.00 1.24 C ATOM 1457 O ILE A 99 -7.951 -12.575 -0.446 1.00 2.05 O ATOM 1458 CB ILE A 99 -7.594 -9.173 -0.499 1.00 1.07 C ATOM 1459 CG1 ILE A 99 -8.548 -9.362 -1.689 1.00 1.54 C ATOM 1460 CG2 ILE A 99 -6.469 -8.212 -0.881 1.00 1.46 C ATOM 1461 CD1 ILE A 99 -9.500 -8.166 -1.807 1.00 1.82 C ATOM 0 H ILE A 99 -5.635 -10.708 -1.439 1.00 1.11 H new ATOM 0 HA ILE A 99 -6.772 -10.110 1.160 1.00 1.10 H new ATOM 0 HB ILE A 99 -8.234 -8.762 0.282 1.00 1.07 H new ATOM 0 HG12 ILE A 99 -7.974 -9.470 -2.609 1.00 1.54 H new ATOM 0 HG13 ILE A 99 -9.122 -10.280 -1.561 1.00 1.54 H new ATOM 0 HG21 ILE A 99 -6.894 -7.318 -1.338 1.00 1.46 H new ATOM 0 HG22 ILE A 99 -5.910 -7.932 0.012 1.00 1.46 H new ATOM 0 HG23 ILE A 99 -5.800 -8.699 -1.590 1.00 1.46 H new ATOM 0 HD11 ILE A 99 -10.169 -8.316 -2.655 1.00 1.82 H new ATOM 0 HD12 ILE A 99 -10.087 -8.077 -0.893 1.00 1.82 H new ATOM 0 HD13 ILE A 99 -8.922 -7.254 -1.958 1.00 1.82 H new ATOM 1473 N LYS A 100 -8.925 -11.454 1.257 1.00 1.30 N ATOM 1474 CA LYS A 100 -9.995 -12.359 1.563 1.00 1.53 C ATOM 1475 C LYS A 100 -10.997 -11.704 2.532 1.00 1.74 C ATOM 1476 O LYS A 100 -12.128 -11.447 2.109 1.00 2.33 O ATOM 1477 CB LYS A 100 -9.454 -13.724 2.044 1.00 2.14 C ATOM 1478 CG LYS A 100 -10.555 -14.762 2.269 1.00 3.82 C ATOM 1479 CD LYS A 100 -11.535 -14.657 1.102 1.00 5.13 C ATOM 1480 CE LYS A 100 -12.364 -15.923 0.862 1.00 6.50 C ATOM 1481 NZ LYS A 100 -13.108 -16.391 2.044 1.00 7.27 N ATOM 0 H LYS A 100 -8.925 -10.642 1.874 1.00 1.30 H new ATOM 0 HA LYS A 100 -10.553 -12.575 0.652 1.00 1.53 H new ATOM 0 HB2 LYS A 100 -8.747 -14.107 1.308 1.00 2.14 H new ATOM 0 HB3 LYS A 100 -8.902 -13.582 2.973 1.00 2.14 H new ATOM 0 HG2 LYS A 100 -10.131 -15.765 2.323 1.00 3.82 H new ATOM 0 HG3 LYS A 100 -11.065 -14.580 3.215 1.00 3.82 H new ATOM 0 HD2 LYS A 100 -12.212 -13.822 1.285 1.00 5.13 H new ATOM 0 HD3 LYS A 100 -10.978 -14.423 0.195 1.00 5.13 H new ATOM 0 HE2 LYS A 100 -13.070 -15.733 0.054 1.00 6.50 H new ATOM 0 HE3 LYS A 100 -11.701 -16.720 0.525 1.00 6.50 H new ATOM 0 HZ1 LYS A 100 -13.642 -17.249 1.800 1.00 7.27 H new ATOM 0 HZ2 LYS A 100 -12.440 -16.605 2.812 1.00 7.27 H new ATOM 0 HZ3 LYS A 100 -13.767 -15.649 2.355 1.00 7.27 H new ATOM 1495 N PRO A 101 -10.639 -11.443 3.807 1.00 2.50 N ATOM 1496 CA PRO A 101 -11.594 -11.016 4.821 1.00 3.48 C ATOM 1497 C PRO A 101 -12.413 -9.807 4.368 1.00 2.72 C ATOM 1498 O PRO A 101 -11.864 -8.743 4.089 1.00 3.53 O ATOM 1499 CB PRO A 101 -10.787 -10.727 6.094 1.00 5.13 C ATOM 1500 CG PRO A 101 -9.362 -10.540 5.579 1.00 4.98 C ATOM 1501 CD PRO A 101 -9.314 -11.516 4.408 1.00 3.38 C ATOM 0 HA PRO A 101 -12.330 -11.798 5.007 1.00 3.48 H new ATOM 0 HB2 PRO A 101 -11.149 -9.835 6.605 1.00 5.13 H new ATOM 0 HB3 PRO A 101 -10.852 -11.550 6.806 1.00 5.13 H new ATOM 0 HG2 PRO A 101 -9.175 -9.514 5.262 1.00 4.98 H new ATOM 0 HG3 PRO A 101 -8.619 -10.779 6.340 1.00 4.98 H new ATOM 0 HD2 PRO A 101 -8.540 -11.238 3.693 1.00 3.38 H new ATOM 0 HD3 PRO A 101 -9.088 -12.528 4.745 1.00 3.38 H new ATOM 1509 N ASP A 102 -13.730 -10.014 4.276 1.00 2.48 N ATOM 1510 CA ASP A 102 -14.738 -9.017 3.963 1.00 2.25 C ATOM 1511 C ASP A 102 -14.519 -8.291 2.629 1.00 1.81 C ATOM 1512 O ASP A 102 -15.105 -7.227 2.401 1.00 2.91 O ATOM 1513 CB ASP A 102 -14.906 -8.066 5.158 1.00 3.94 C ATOM 1514 CG ASP A 102 -16.329 -7.548 5.257 1.00 5.25 C ATOM 1515 OD1 ASP A 102 -17.249 -8.387 5.299 1.00 6.23 O ATOM 1516 OD2 ASP A 102 -16.493 -6.309 5.199 1.00 5.84 O ATOM 0 H ASP A 102 -14.136 -10.937 4.428 1.00 2.48 H new ATOM 0 HA ASP A 102 -15.680 -9.542 3.803 1.00 2.25 H new ATOM 0 HB2 ASP A 102 -14.641 -8.586 6.079 1.00 3.94 H new ATOM 0 HB3 ASP A 102 -14.218 -7.227 5.057 1.00 3.94 H new ATOM 1521 N GLY A 103 -13.714 -8.889 1.735 1.00 2.39 N ATOM 1522 CA GLY A 103 -13.280 -8.295 0.474 1.00 3.97 C ATOM 1523 C GLY A 103 -14.446 -7.707 -0.316 1.00 3.38 C ATOM 1524 O GLY A 103 -14.429 -6.520 -0.631 1.00 4.38 O ATOM 0 H GLY A 103 -13.340 -9.827 1.881 1.00 2.39 H new ATOM 0 HA2 GLY A 103 -12.548 -7.513 0.675 1.00 3.97 H new ATOM 0 HA3 GLY A 103 -12.779 -9.052 -0.129 1.00 3.97 H new ATOM 1528 N LYS A 104 -15.458 -8.527 -0.614 1.00 2.46 N ATOM 1529 CA LYS A 104 -16.794 -8.133 -1.043 1.00 2.45 C ATOM 1530 C LYS A 104 -16.779 -7.637 -2.491 1.00 2.43 C ATOM 1531 O LYS A 104 -17.283 -8.315 -3.381 1.00 3.99 O ATOM 1532 CB LYS A 104 -17.353 -7.154 -0.003 1.00 2.42 C ATOM 1533 CG LYS A 104 -18.868 -6.982 -0.007 1.00 3.04 C ATOM 1534 CD LYS A 104 -19.296 -5.994 1.094 1.00 3.28 C ATOM 1535 CE LYS A 104 -18.810 -6.347 2.517 1.00 4.06 C ATOM 1536 NZ LYS A 104 -17.440 -5.870 2.830 1.00 4.59 N ATOM 0 H LYS A 104 -15.356 -9.540 -0.558 1.00 2.46 H new ATOM 0 HA LYS A 104 -17.481 -8.979 -1.075 1.00 2.45 H new ATOM 0 HB2 LYS A 104 -17.046 -7.490 0.988 1.00 2.42 H new ATOM 0 HB3 LYS A 104 -16.894 -6.179 -0.165 1.00 2.42 H new ATOM 0 HG2 LYS A 104 -19.197 -6.618 -0.980 1.00 3.04 H new ATOM 0 HG3 LYS A 104 -19.351 -7.946 0.152 1.00 3.04 H new ATOM 0 HD2 LYS A 104 -18.924 -5.003 0.835 1.00 3.28 H new ATOM 0 HD3 LYS A 104 -20.384 -5.934 1.103 1.00 3.28 H new ATOM 0 HE2 LYS A 104 -19.505 -5.922 3.241 1.00 4.06 H new ATOM 0 HE3 LYS A 104 -18.843 -7.429 2.641 1.00 4.06 H new ATOM 0 HZ1 LYS A 104 -17.389 -5.593 3.831 1.00 4.59 H new ATOM 0 HZ2 LYS A 104 -16.757 -6.632 2.647 1.00 4.59 H new ATOM 0 HZ3 LYS A 104 -17.213 -5.050 2.232 1.00 4.59 H new ATOM 1550 N ARG A 105 -16.132 -6.499 -2.724 1.00 1.68 N ATOM 1551 CA ARG A 105 -15.572 -6.128 -4.010 1.00 1.78 C ATOM 1552 C ARG A 105 -14.299 -5.338 -3.733 1.00 1.63 C ATOM 1553 O ARG A 105 -14.316 -4.108 -3.737 1.00 2.39 O ATOM 1554 CB ARG A 105 -16.521 -5.300 -4.878 1.00 2.09 C ATOM 1555 CG ARG A 105 -17.782 -6.038 -5.336 1.00 2.99 C ATOM 1556 CD ARG A 105 -18.432 -5.330 -6.534 1.00 3.65 C ATOM 1557 NE ARG A 105 -18.949 -3.994 -6.186 1.00 3.86 N ATOM 1558 CZ ARG A 105 -18.330 -2.810 -6.357 1.00 4.53 C ATOM 1559 NH1 ARG A 105 -17.096 -2.719 -6.857 1.00 4.88 N ATOM 1560 NH2 ARG A 105 -18.971 -1.686 -6.015 1.00 5.65 N ATOM 0 H ARG A 105 -15.981 -5.794 -2.002 1.00 1.68 H new ATOM 0 HA ARG A 105 -15.378 -7.039 -4.577 1.00 1.78 H new ATOM 0 HB2 ARG A 105 -16.819 -4.412 -4.320 1.00 2.09 H new ATOM 0 HB3 ARG A 105 -15.978 -4.956 -5.759 1.00 2.09 H new ATOM 0 HG2 ARG A 105 -17.529 -7.063 -5.609 1.00 2.99 H new ATOM 0 HG3 ARG A 105 -18.494 -6.094 -4.512 1.00 2.99 H new ATOM 0 HD2 ARG A 105 -17.701 -5.236 -7.337 1.00 3.65 H new ATOM 0 HD3 ARG A 105 -19.248 -5.944 -6.916 1.00 3.65 H new ATOM 0 HE ARG A 105 -19.879 -3.963 -5.769 1.00 3.86 H new ATOM 0 HH11 ARG A 105 -16.590 -3.564 -7.124 1.00 4.88 H new ATOM 0 HH12 ARG A 105 -16.659 -1.805 -6.972 1.00 4.88 H new ATOM 0 HH21 ARG A 105 -19.915 -1.734 -5.631 1.00 5.65 H new ATOM 0 HH22 ARG A 105 -18.516 -0.782 -6.138 1.00 5.65 H new ATOM 1574 N HIS A 106 -13.208 -6.056 -3.463 1.00 1.90 N ATOM 1575 CA HIS A 106 -11.887 -5.473 -3.305 1.00 2.07 C ATOM 1576 C HIS A 106 -11.883 -4.374 -2.234 1.00 1.91 C ATOM 1577 O HIS A 106 -11.427 -3.260 -2.476 1.00 3.07 O ATOM 1578 CB HIS A 106 -11.399 -4.989 -4.678 1.00 2.55 C ATOM 1579 CG HIS A 106 -9.903 -4.870 -4.824 1.00 3.72 C ATOM 1580 ND1 HIS A 106 -9.211 -5.100 -5.989 1.00 5.22 N ATOM 1581 CD2 HIS A 106 -9.018 -4.347 -3.919 1.00 4.34 C ATOM 1582 CE1 HIS A 106 -7.944 -4.703 -5.793 1.00 6.18 C ATOM 1583 NE2 HIS A 106 -7.779 -4.219 -4.549 1.00 5.71 N ATOM 0 H HIS A 106 -13.223 -7.069 -3.348 1.00 1.90 H new ATOM 0 HA HIS A 106 -11.185 -6.224 -2.942 1.00 2.07 H new ATOM 0 HB2 HIS A 106 -11.769 -5.676 -5.440 1.00 2.55 H new ATOM 0 HB3 HIS A 106 -11.846 -4.016 -4.882 1.00 2.55 H new ATOM 0 HD1 HIS A 106 -9.591 -5.500 -6.847 1.00 5.22 H new ATOM 0 HD2 HIS A 106 -9.240 -4.080 -2.896 1.00 4.34 H new ATOM 0 HE1 HIS A 106 -7.162 -4.764 -6.535 1.00 6.18 H new ATOM 1591 N ALA A 107 -12.359 -4.700 -1.030 1.00 1.13 N ATOM 1592 CA ALA A 107 -12.332 -3.774 0.091 1.00 1.48 C ATOM 1593 C ALA A 107 -10.907 -3.286 0.360 1.00 1.25 C ATOM 1594 O ALA A 107 -10.649 -2.092 0.261 1.00 1.43 O ATOM 1595 CB ALA A 107 -12.940 -4.420 1.339 1.00 2.28 C ATOM 0 H ALA A 107 -12.770 -5.608 -0.811 1.00 1.13 H new ATOM 0 HA ALA A 107 -12.938 -2.905 -0.167 1.00 1.48 H new ATOM 0 HB1 ALA A 107 -12.911 -3.711 2.167 1.00 2.28 H new ATOM 0 HB2 ALA A 107 -13.974 -4.699 1.137 1.00 2.28 H new ATOM 0 HB3 ALA A 107 -12.369 -5.310 1.603 1.00 2.28 H new ATOM 1601 N VAL A 108 -9.993 -4.195 0.723 1.00 1.17 N ATOM 1602 CA VAL A 108 -8.650 -3.856 1.178 1.00 1.01 C ATOM 1603 C VAL A 108 -7.734 -5.084 1.119 1.00 1.07 C ATOM 1604 O VAL A 108 -8.235 -6.203 1.022 1.00 1.43 O ATOM 1605 CB VAL A 108 -8.687 -3.355 2.634 1.00 0.97 C ATOM 1606 CG1 VAL A 108 -9.347 -1.992 2.841 1.00 1.03 C ATOM 1607 CG2 VAL A 108 -9.331 -4.397 3.569 1.00 1.25 C ATOM 0 H VAL A 108 -10.174 -5.199 0.707 1.00 1.17 H new ATOM 0 HA VAL A 108 -8.266 -3.075 0.522 1.00 1.01 H new ATOM 0 HB VAL A 108 -7.637 -3.216 2.892 1.00 0.97 H new ATOM 0 HG11 VAL A 108 -9.321 -1.732 3.899 1.00 1.03 H new ATOM 0 HG12 VAL A 108 -8.809 -1.236 2.269 1.00 1.03 H new ATOM 0 HG13 VAL A 108 -10.382 -2.034 2.503 1.00 1.03 H new ATOM 0 HG21 VAL A 108 -9.342 -4.013 4.589 1.00 1.25 H new ATOM 0 HG22 VAL A 108 -10.353 -4.595 3.245 1.00 1.25 H new ATOM 0 HG23 VAL A 108 -8.755 -5.321 3.535 1.00 1.25 H new ATOM 1617 N ILE A 109 -6.414 -4.886 1.255 1.00 0.90 N ATOM 1618 CA ILE A 109 -5.487 -5.850 1.822 1.00 0.80 C ATOM 1619 C ILE A 109 -5.286 -5.487 3.294 1.00 0.80 C ATOM 1620 O ILE A 109 -5.772 -4.447 3.735 1.00 1.00 O ATOM 1621 CB ILE A 109 -4.165 -5.873 1.014 1.00 0.99 C ATOM 1622 CG1 ILE A 109 -2.959 -5.130 1.604 1.00 2.29 C ATOM 1623 CG2 ILE A 109 -4.308 -5.452 -0.449 1.00 2.05 C ATOM 1624 CD1 ILE A 109 -3.151 -3.659 1.954 1.00 3.03 C ATOM 0 H ILE A 109 -5.959 -4.022 0.962 1.00 0.90 H new ATOM 0 HA ILE A 109 -5.883 -6.864 1.764 1.00 0.80 H new ATOM 0 HB ILE A 109 -3.944 -6.938 1.084 1.00 0.99 H new ATOM 0 HG12 ILE A 109 -2.648 -5.655 2.507 1.00 2.29 H new ATOM 0 HG13 ILE A 109 -2.136 -5.204 0.893 1.00 2.29 H new ATOM 0 HG21 ILE A 109 -3.335 -5.498 -0.938 1.00 2.05 H new ATOM 0 HG22 ILE A 109 -5.000 -6.125 -0.955 1.00 2.05 H new ATOM 0 HG23 ILE A 109 -4.691 -4.433 -0.499 1.00 2.05 H new ATOM 0 HD11 ILE A 109 -2.223 -3.258 2.361 1.00 3.03 H new ATOM 0 HD12 ILE A 109 -3.424 -3.104 1.056 1.00 3.03 H new ATOM 0 HD13 ILE A 109 -3.944 -3.562 2.696 1.00 3.03 H new ATOM 1636 N SER A 110 -4.539 -6.289 4.056 1.00 0.75 N ATOM 1637 CA SER A 110 -4.061 -5.867 5.366 1.00 0.72 C ATOM 1638 C SER A 110 -2.660 -6.432 5.597 1.00 0.70 C ATOM 1639 O SER A 110 -2.513 -7.464 6.247 1.00 0.94 O ATOM 1640 CB SER A 110 -5.068 -6.265 6.454 1.00 0.82 C ATOM 1641 OG SER A 110 -4.770 -5.613 7.673 1.00 1.58 O ATOM 0 H SER A 110 -4.255 -7.231 3.786 1.00 0.75 H new ATOM 0 HA SER A 110 -3.981 -4.781 5.412 1.00 0.72 H new ATOM 0 HB2 SER A 110 -6.077 -6.006 6.135 1.00 0.82 H new ATOM 0 HB3 SER A 110 -5.047 -7.345 6.599 1.00 0.82 H new ATOM 0 HG SER A 110 -5.423 -5.878 8.354 1.00 1.58 H new ATOM 1647 N GLY A 111 -1.638 -5.792 5.014 1.00 0.77 N ATOM 1648 CA GLY A 111 -0.255 -6.234 5.187 1.00 0.81 C ATOM 1649 C GLY A 111 0.490 -5.447 6.280 1.00 0.67 C ATOM 1650 O GLY A 111 0.011 -4.424 6.779 1.00 0.75 O ATOM 0 H GLY A 111 -1.746 -4.969 4.421 1.00 0.77 H new ATOM 0 HA2 GLY A 111 -0.246 -7.294 5.439 1.00 0.81 H new ATOM 0 HA3 GLY A 111 0.277 -6.127 4.242 1.00 0.81 H new ATOM 1654 N SER A 112 1.675 -5.945 6.651 1.00 0.72 N ATOM 1655 CA SER A 112 2.634 -5.299 7.549 1.00 0.65 C ATOM 1656 C SER A 112 3.539 -4.356 6.743 1.00 0.51 C ATOM 1657 O SER A 112 3.516 -4.403 5.515 1.00 0.67 O ATOM 1658 CB SER A 112 3.456 -6.391 8.247 1.00 0.85 C ATOM 1659 OG SER A 112 2.572 -7.377 8.752 1.00 1.48 O ATOM 0 H SER A 112 2.005 -6.851 6.317 1.00 0.72 H new ATOM 0 HA SER A 112 2.116 -4.705 8.302 1.00 0.65 H new ATOM 0 HB2 SER A 112 4.160 -6.839 7.546 1.00 0.85 H new ATOM 0 HB3 SER A 112 4.044 -5.960 9.058 1.00 0.85 H new ATOM 0 HG SER A 112 3.088 -8.081 9.199 1.00 1.48 H new ATOM 1665 N VAL A 113 4.348 -3.508 7.391 1.00 0.50 N ATOM 1666 CA VAL A 113 5.387 -2.734 6.706 1.00 0.50 C ATOM 1667 C VAL A 113 6.578 -2.591 7.641 1.00 0.51 C ATOM 1668 O VAL A 113 6.403 -2.752 8.850 1.00 0.70 O ATOM 1669 CB VAL A 113 4.891 -1.347 6.244 1.00 0.62 C ATOM 1670 CG1 VAL A 113 3.383 -1.296 5.983 1.00 0.75 C ATOM 1671 CG2 VAL A 113 5.172 -0.208 7.219 1.00 0.76 C ATOM 0 H VAL A 113 4.301 -3.341 8.396 1.00 0.50 H new ATOM 0 HA VAL A 113 5.673 -3.271 5.801 1.00 0.50 H new ATOM 0 HB VAL A 113 5.463 -1.206 5.327 1.00 0.62 H new ATOM 0 HG11 VAL A 113 3.103 -0.293 5.662 1.00 0.75 H new ATOM 0 HG12 VAL A 113 3.124 -2.012 5.203 1.00 0.75 H new ATOM 0 HG13 VAL A 113 2.847 -1.547 6.898 1.00 0.75 H new ATOM 0 HG21 VAL A 113 4.788 0.726 6.808 1.00 0.76 H new ATOM 0 HG22 VAL A 113 4.683 -0.415 8.171 1.00 0.76 H new ATOM 0 HG23 VAL A 113 6.247 -0.120 7.376 1.00 0.76 H new ATOM 1681 N LEU A 114 7.754 -2.225 7.107 1.00 0.61 N ATOM 1682 CA LEU A 114 8.922 -1.984 7.954 1.00 0.92 C ATOM 1683 C LEU A 114 9.629 -0.663 7.682 1.00 0.93 C ATOM 1684 O LEU A 114 9.814 -0.279 6.534 1.00 0.96 O ATOM 1685 CB LEU A 114 9.866 -3.198 7.968 1.00 1.23 C ATOM 1686 CG LEU A 114 10.976 -3.232 6.907 1.00 0.97 C ATOM 1687 CD1 LEU A 114 11.898 -4.426 7.180 1.00 1.23 C ATOM 1688 CD2 LEU A 114 10.420 -3.359 5.492 1.00 2.23 C ATOM 0 H LEU A 114 7.916 -2.092 6.109 1.00 0.61 H new ATOM 0 HA LEU A 114 8.543 -1.866 8.969 1.00 0.92 H new ATOM 0 HB2 LEU A 114 10.335 -3.251 8.950 1.00 1.23 H new ATOM 0 HB3 LEU A 114 9.262 -4.098 7.855 1.00 1.23 H new ATOM 0 HG LEU A 114 11.521 -2.290 6.973 1.00 0.97 H new ATOM 0 HD11 LEU A 114 12.688 -4.455 6.429 1.00 1.23 H new ATOM 0 HD12 LEU A 114 12.342 -4.324 8.170 1.00 1.23 H new ATOM 0 HD13 LEU A 114 11.321 -5.349 7.135 1.00 1.23 H new ATOM 0 HD21 LEU A 114 11.243 -3.379 4.778 1.00 2.23 H new ATOM 0 HD22 LEU A 114 9.845 -4.281 5.408 1.00 2.23 H new ATOM 0 HD23 LEU A 114 9.774 -2.508 5.277 1.00 2.23 H new ATOM 1700 N TYR A 115 10.049 0.003 8.761 1.00 1.05 N ATOM 1701 CA TYR A 115 10.859 1.212 8.776 1.00 1.19 C ATOM 1702 C TYR A 115 12.290 0.759 8.514 1.00 1.15 C ATOM 1703 O TYR A 115 13.054 0.569 9.458 1.00 1.22 O ATOM 1704 CB TYR A 115 10.687 1.882 10.155 1.00 1.40 C ATOM 1705 CG TYR A 115 11.613 3.046 10.483 1.00 1.88 C ATOM 1706 CD1 TYR A 115 12.785 2.825 11.236 1.00 3.37 C ATOM 1707 CD2 TYR A 115 11.249 4.364 10.153 1.00 2.42 C ATOM 1708 CE1 TYR A 115 13.642 3.889 11.551 1.00 4.42 C ATOM 1709 CE2 TYR A 115 12.074 5.437 10.537 1.00 3.23 C ATOM 1710 CZ TYR A 115 13.304 5.193 11.172 1.00 4.05 C ATOM 1711 OH TYR A 115 14.142 6.220 11.488 1.00 5.21 O ATOM 0 H TYR A 115 9.815 -0.312 9.703 1.00 1.05 H new ATOM 0 HA TYR A 115 10.572 1.946 8.023 1.00 1.19 H new ATOM 0 HB2 TYR A 115 9.659 2.236 10.233 1.00 1.40 H new ATOM 0 HB3 TYR A 115 10.820 1.118 10.921 1.00 1.40 H new ATOM 0 HD1 TYR A 115 13.024 1.827 11.573 1.00 3.37 H new ATOM 0 HD2 TYR A 115 10.337 4.552 9.605 1.00 2.42 H new ATOM 0 HE1 TYR A 115 14.562 3.702 12.085 1.00 4.42 H new ATOM 0 HE2 TYR A 115 11.761 6.452 10.343 1.00 3.23 H new ATOM 0 HH TYR A 115 13.704 7.073 11.286 1.00 5.21 H new ATOM 1721 N ASN A 116 12.606 0.502 7.241 1.00 1.15 N ATOM 1722 CA ASN A 116 13.875 -0.003 6.719 1.00 1.16 C ATOM 1723 C ASN A 116 14.314 -1.334 7.347 1.00 0.94 C ATOM 1724 O ASN A 116 14.470 -2.309 6.619 1.00 1.03 O ATOM 1725 CB ASN A 116 14.958 1.081 6.772 1.00 1.43 C ATOM 1726 CG ASN A 116 16.268 0.721 6.062 1.00 2.00 C ATOM 1727 OD1 ASN A 116 17.182 1.539 6.029 1.00 3.05 O ATOM 1728 ND2 ASN A 116 16.416 -0.475 5.489 1.00 2.70 N ATOM 0 H ASN A 116 11.928 0.654 6.494 1.00 1.15 H new ATOM 0 HA ASN A 116 13.712 -0.247 5.669 1.00 1.16 H new ATOM 0 HB2 ASN A 116 14.560 1.993 6.328 1.00 1.43 H new ATOM 0 HB3 ASN A 116 15.177 1.304 7.816 1.00 1.43 H new ATOM 0 HD21 ASN A 116 17.291 -0.712 5.022 1.00 2.70 H new ATOM 0 HD22 ASN A 116 15.654 -1.152 5.518 1.00 2.70 H new ATOM 1735 N GLN A 117 14.570 -1.365 8.656 1.00 0.84 N ATOM 1736 CA GLN A 117 14.858 -2.546 9.455 1.00 0.83 C ATOM 1737 C GLN A 117 13.677 -2.877 10.378 1.00 1.00 C ATOM 1738 O GLN A 117 13.384 -4.047 10.614 1.00 1.47 O ATOM 1739 CB GLN A 117 16.122 -2.324 10.306 1.00 0.96 C ATOM 1740 CG GLN A 117 17.268 -1.617 9.572 1.00 1.16 C ATOM 1741 CD GLN A 117 17.080 -0.103 9.496 1.00 1.39 C ATOM 1742 OE1 GLN A 117 16.177 0.465 10.104 1.00 2.66 O ATOM 1743 NE2 GLN A 117 17.920 0.565 8.719 1.00 1.73 N ATOM 0 H GLN A 117 14.581 -0.512 9.215 1.00 0.84 H new ATOM 0 HA GLN A 117 15.023 -3.380 8.773 1.00 0.83 H new ATOM 0 HB2 GLN A 117 15.854 -1.738 11.185 1.00 0.96 H new ATOM 0 HB3 GLN A 117 16.478 -3.290 10.664 1.00 0.96 H new ATOM 0 HG2 GLN A 117 18.208 -1.836 10.079 1.00 1.16 H new ATOM 0 HG3 GLN A 117 17.349 -2.019 8.562 1.00 1.16 H new ATOM 0 HE21 GLN A 117 18.662 0.069 8.225 1.00 1.73 H new ATOM 0 HE22 GLN A 117 17.825 1.575 8.615 1.00 1.73 H new ATOM 1752 N ALA A 118 13.031 -1.859 10.963 1.00 0.99 N ATOM 1753 CA ALA A 118 12.121 -2.055 12.086 1.00 1.10 C ATOM 1754 C ALA A 118 10.685 -2.296 11.614 1.00 0.88 C ATOM 1755 O ALA A 118 9.980 -1.358 11.236 1.00 1.25 O ATOM 1756 CB ALA A 118 12.209 -0.865 13.047 1.00 1.39 C ATOM 0 H ALA A 118 13.127 -0.887 10.670 1.00 0.99 H new ATOM 0 HA ALA A 118 12.427 -2.953 12.623 1.00 1.10 H new ATOM 0 HB1 ALA A 118 11.526 -1.020 13.882 1.00 1.39 H new ATOM 0 HB2 ALA A 118 13.228 -0.776 13.423 1.00 1.39 H new ATOM 0 HB3 ALA A 118 11.936 0.049 12.520 1.00 1.39 H new ATOM 1762 N GLU A 119 10.224 -3.546 11.678 1.00 0.79 N ATOM 1763 CA GLU A 119 8.862 -3.902 11.301 1.00 0.94 C ATOM 1764 C GLU A 119 7.895 -3.525 12.423 1.00 0.96 C ATOM 1765 O GLU A 119 7.380 -4.393 13.122 1.00 1.46 O ATOM 1766 CB GLU A 119 8.779 -5.384 10.895 1.00 1.39 C ATOM 1767 CG GLU A 119 7.465 -5.653 10.143 1.00 1.76 C ATOM 1768 CD GLU A 119 7.313 -7.092 9.670 1.00 2.55 C ATOM 1769 OE1 GLU A 119 8.065 -7.951 10.178 1.00 3.17 O ATOM 1770 OE2 GLU A 119 6.431 -7.295 8.806 1.00 3.32 O ATOM 0 H GLU A 119 10.786 -4.337 11.993 1.00 0.79 H new ATOM 0 HA GLU A 119 8.563 -3.332 10.421 1.00 0.94 H new ATOM 0 HB2 GLU A 119 9.628 -5.644 10.263 1.00 1.39 H new ATOM 0 HB3 GLU A 119 8.836 -6.016 11.781 1.00 1.39 H new ATOM 0 HG2 GLU A 119 6.627 -5.404 10.794 1.00 1.76 H new ATOM 0 HG3 GLU A 119 7.408 -4.989 9.281 1.00 1.76 H new ATOM 1777 N LYS A 120 7.640 -2.221 12.594 1.00 0.64 N ATOM 1778 CA LYS A 120 6.569 -1.700 13.427 1.00 0.63 C ATOM 1779 C LYS A 120 5.778 -0.713 12.598 1.00 0.67 C ATOM 1780 O LYS A 120 5.748 0.494 12.836 1.00 0.97 O ATOM 1781 CB LYS A 120 7.093 -1.124 14.744 1.00 0.88 C ATOM 1782 CG LYS A 120 7.648 -2.223 15.654 1.00 1.50 C ATOM 1783 CD LYS A 120 6.647 -3.327 15.987 1.00 1.78 C ATOM 1784 CE LYS A 120 5.442 -2.871 16.816 1.00 2.41 C ATOM 1785 NZ LYS A 120 4.622 -4.026 17.239 1.00 3.06 N ATOM 0 H LYS A 120 8.190 -1.490 12.143 1.00 0.64 H new ATOM 0 HA LYS A 120 5.902 -2.504 13.739 1.00 0.63 H new ATOM 0 HB2 LYS A 120 7.874 -0.392 14.537 1.00 0.88 H new ATOM 0 HB3 LYS A 120 6.289 -0.596 15.257 1.00 0.88 H new ATOM 0 HG2 LYS A 120 8.519 -2.670 15.175 1.00 1.50 H new ATOM 0 HG3 LYS A 120 7.994 -1.769 16.583 1.00 1.50 H new ATOM 0 HD2 LYS A 120 6.286 -3.764 15.056 1.00 1.78 H new ATOM 0 HD3 LYS A 120 7.166 -4.117 16.530 1.00 1.78 H new ATOM 0 HE2 LYS A 120 5.786 -2.324 17.694 1.00 2.41 H new ATOM 0 HE3 LYS A 120 4.833 -2.183 16.230 1.00 2.41 H new ATOM 0 HZ1 LYS A 120 3.812 -3.690 17.799 1.00 3.06 H new ATOM 0 HZ2 LYS A 120 4.276 -4.532 16.399 1.00 3.06 H new ATOM 0 HZ3 LYS A 120 5.200 -4.669 17.817 1.00 3.06 H new ATOM 1799 N GLY A 121 5.114 -1.287 11.609 1.00 0.56 N ATOM 1800 CA GLY A 121 4.072 -0.609 10.877 1.00 0.58 C ATOM 1801 C GLY A 121 3.154 -1.617 10.202 1.00 0.51 C ATOM 1802 O GLY A 121 3.503 -2.789 10.048 1.00 0.60 O ATOM 0 H GLY A 121 5.288 -2.241 11.294 1.00 0.56 H new ATOM 0 HA2 GLY A 121 3.495 0.021 11.554 1.00 0.58 H new ATOM 0 HA3 GLY A 121 4.514 0.048 10.128 1.00 0.58 H new ATOM 1806 N SER A 122 1.970 -1.154 9.813 1.00 0.65 N ATOM 1807 CA SER A 122 0.954 -1.958 9.158 1.00 0.64 C ATOM 1808 C SER A 122 0.075 -1.047 8.314 1.00 0.49 C ATOM 1809 O SER A 122 0.144 0.172 8.467 1.00 0.59 O ATOM 1810 CB SER A 122 0.161 -2.708 10.228 1.00 0.85 C ATOM 1811 OG SER A 122 -0.452 -1.805 11.128 1.00 0.90 O ATOM 0 H SER A 122 1.687 -0.184 9.950 1.00 0.65 H new ATOM 0 HA SER A 122 1.397 -2.698 8.491 1.00 0.64 H new ATOM 0 HB2 SER A 122 -0.600 -3.328 9.754 1.00 0.85 H new ATOM 0 HB3 SER A 122 0.824 -3.379 10.775 1.00 0.85 H new ATOM 0 HG SER A 122 -0.955 -2.307 11.803 1.00 0.90 H new ATOM 1817 N TYR A 123 -0.723 -1.611 7.407 1.00 0.54 N ATOM 1818 CA TYR A 123 -1.566 -0.795 6.552 1.00 0.65 C ATOM 1819 C TYR A 123 -2.774 -1.572 6.053 1.00 0.63 C ATOM 1820 O TYR A 123 -2.806 -2.799 6.132 1.00 0.66 O ATOM 1821 CB TYR A 123 -0.749 -0.210 5.388 1.00 0.90 C ATOM 1822 CG TYR A 123 -0.326 -1.174 4.303 1.00 0.92 C ATOM 1823 CD1 TYR A 123 0.479 -2.281 4.618 1.00 2.84 C ATOM 1824 CD2 TYR A 123 -0.577 -0.860 2.956 1.00 1.42 C ATOM 1825 CE1 TYR A 123 0.926 -3.141 3.609 1.00 3.73 C ATOM 1826 CE2 TYR A 123 -0.048 -1.668 1.940 1.00 1.71 C ATOM 1827 CZ TYR A 123 0.652 -2.843 2.269 1.00 2.75 C ATOM 1828 OH TYR A 123 1.190 -3.622 1.296 1.00 3.69 O ATOM 0 H TYR A 123 -0.799 -2.616 7.251 1.00 0.54 H new ATOM 0 HA TYR A 123 -1.947 0.035 7.147 1.00 0.65 H new ATOM 0 HB2 TYR A 123 -1.335 0.585 4.927 1.00 0.90 H new ATOM 0 HB3 TYR A 123 0.148 0.253 5.800 1.00 0.90 H new ATOM 0 HD1 TYR A 123 0.755 -2.469 5.645 1.00 2.84 H new ATOM 0 HD2 TYR A 123 -1.176 0.002 2.704 1.00 1.42 H new ATOM 0 HE1 TYR A 123 1.481 -4.032 3.863 1.00 3.73 H new ATOM 0 HE2 TYR A 123 -0.178 -1.389 0.905 1.00 1.71 H new ATOM 0 HH TYR A 123 1.610 -4.409 1.702 1.00 3.69 H new ATOM 1838 N SER A 124 -3.760 -0.841 5.536 1.00 0.67 N ATOM 1839 CA SER A 124 -4.995 -1.379 5.002 1.00 0.75 C ATOM 1840 C SER A 124 -5.279 -0.606 3.723 1.00 0.73 C ATOM 1841 O SER A 124 -5.442 0.614 3.801 1.00 0.88 O ATOM 1842 CB SER A 124 -6.117 -1.190 6.028 1.00 0.90 C ATOM 1843 OG SER A 124 -6.150 0.154 6.472 1.00 1.60 O ATOM 0 H SER A 124 -3.712 0.176 5.479 1.00 0.67 H new ATOM 0 HA SER A 124 -4.924 -2.446 4.792 1.00 0.75 H new ATOM 0 HB2 SER A 124 -7.076 -1.458 5.583 1.00 0.90 H new ATOM 0 HB3 SER A 124 -5.961 -1.857 6.876 1.00 0.90 H new ATOM 0 HG SER A 124 -5.908 0.749 5.732 1.00 1.60 H new ATOM 1849 N LEU A 125 -5.276 -1.276 2.567 1.00 0.66 N ATOM 1850 CA LEU A 125 -5.329 -0.586 1.277 1.00 0.60 C ATOM 1851 C LEU A 125 -6.099 -1.369 0.214 1.00 0.69 C ATOM 1852 O LEU A 125 -5.881 -2.562 0.002 1.00 0.98 O ATOM 1853 CB LEU A 125 -3.899 -0.230 0.856 1.00 0.73 C ATOM 1854 CG LEU A 125 -3.683 0.210 -0.596 1.00 0.69 C ATOM 1855 CD1 LEU A 125 -3.834 -0.901 -1.638 1.00 0.75 C ATOM 1856 CD2 LEU A 125 -4.406 1.482 -1.024 1.00 0.71 C ATOM 0 H LEU A 125 -5.238 -2.293 2.499 1.00 0.66 H new ATOM 0 HA LEU A 125 -5.900 0.336 1.386 1.00 0.60 H new ATOM 0 HB2 LEU A 125 -3.545 0.569 1.507 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -3.266 -1.098 1.043 1.00 0.73 H new ATOM 0 HG LEU A 125 -2.626 0.474 -0.575 1.00 0.69 H new ATOM 0 HD11 LEU A 125 -3.663 -0.492 -2.634 1.00 0.75 H new ATOM 0 HD12 LEU A 125 -3.106 -1.688 -1.439 1.00 0.75 H new ATOM 0 HD13 LEU A 125 -4.841 -1.316 -1.584 1.00 0.75 H new ATOM 0 HD21 LEU A 125 -4.179 1.695 -2.069 1.00 0.71 H new ATOM 0 HD22 LEU A 125 -5.481 1.347 -0.906 1.00 0.71 H new ATOM 0 HD23 LEU A 125 -4.075 2.315 -0.404 1.00 0.71 H new ATOM 1868 N GLY A 126 -6.982 -0.673 -0.497 1.00 0.69 N ATOM 1869 CA GLY A 126 -7.901 -1.218 -1.484 1.00 0.88 C ATOM 1870 C GLY A 126 -7.837 -0.421 -2.779 1.00 0.81 C ATOM 1871 O GLY A 126 -7.357 0.710 -2.795 1.00 1.08 O ATOM 0 H GLY A 126 -7.078 0.337 -0.393 1.00 0.69 H new ATOM 0 HA2 GLY A 126 -7.654 -2.261 -1.681 1.00 0.88 H new ATOM 0 HA3 GLY A 126 -8.917 -1.200 -1.090 1.00 0.88 H new ATOM 1875 N ILE A 127 -8.323 -1.022 -3.867 1.00 0.96 N ATOM 1876 CA ILE A 127 -8.589 -0.317 -5.118 1.00 0.88 C ATOM 1877 C ILE A 127 -10.069 0.059 -5.107 1.00 0.68 C ATOM 1878 O ILE A 127 -10.841 -0.579 -4.393 1.00 0.83 O ATOM 1879 CB ILE A 127 -8.232 -1.209 -6.327 1.00 1.37 C ATOM 1880 CG1 ILE A 127 -7.471 -0.466 -7.434 1.00 1.85 C ATOM 1881 CG2 ILE A 127 -9.423 -1.964 -6.925 1.00 2.15 C ATOM 1882 CD1 ILE A 127 -8.084 0.837 -7.930 1.00 3.32 C ATOM 0 H ILE A 127 -8.544 -2.017 -3.903 1.00 0.96 H new ATOM 0 HA ILE A 127 -7.976 0.580 -5.207 1.00 0.88 H new ATOM 0 HB ILE A 127 -7.561 -1.953 -5.897 1.00 1.37 H new ATOM 0 HG12 ILE A 127 -6.466 -0.252 -7.071 1.00 1.85 H new ATOM 0 HG13 ILE A 127 -7.367 -1.139 -8.285 1.00 1.85 H new ATOM 0 HG21 ILE A 127 -9.086 -2.566 -7.769 1.00 2.15 H new ATOM 0 HG22 ILE A 127 -9.860 -2.614 -6.167 1.00 2.15 H new ATOM 0 HG23 ILE A 127 -10.173 -1.250 -7.266 1.00 2.15 H new ATOM 0 HD11 ILE A 127 -7.452 1.263 -8.710 1.00 3.32 H new ATOM 0 HD12 ILE A 127 -9.077 0.641 -8.334 1.00 3.32 H new ATOM 0 HD13 ILE A 127 -8.162 1.541 -7.101 1.00 3.32 H new ATOM 1894 N PHE A 128 -10.503 1.014 -5.933 1.00 0.68 N ATOM 1895 CA PHE A 128 -11.899 1.037 -6.330 1.00 0.81 C ATOM 1896 C PHE A 128 -12.069 1.598 -7.738 1.00 1.03 C ATOM 1897 O PHE A 128 -11.116 2.095 -8.346 1.00 1.43 O ATOM 1898 CB PHE A 128 -12.740 1.777 -5.281 1.00 2.04 C ATOM 1899 CG PHE A 128 -14.147 1.227 -5.137 1.00 3.06 C ATOM 1900 CD1 PHE A 128 -14.329 -0.078 -4.638 1.00 4.48 C ATOM 1901 CD2 PHE A 128 -15.268 2.030 -5.413 1.00 3.67 C ATOM 1902 CE1 PHE A 128 -15.621 -0.553 -4.355 1.00 5.69 C ATOM 1903 CE2 PHE A 128 -16.560 1.561 -5.112 1.00 4.79 C ATOM 1904 CZ PHE A 128 -16.733 0.283 -4.549 1.00 5.59 C ATOM 0 H PHE A 128 -9.924 1.756 -6.326 1.00 0.68 H new ATOM 0 HA PHE A 128 -12.270 0.013 -6.372 1.00 0.81 H new ATOM 0 HB2 PHE A 128 -12.236 1.720 -4.316 1.00 2.04 H new ATOM 0 HB3 PHE A 128 -12.796 2.832 -5.550 1.00 2.04 H new ATOM 0 HD1 PHE A 128 -13.473 -0.715 -4.472 1.00 4.48 H new ATOM 0 HD2 PHE A 128 -15.137 3.006 -5.856 1.00 3.67 H new ATOM 0 HE1 PHE A 128 -15.759 -1.560 -3.989 1.00 5.69 H new ATOM 0 HE2 PHE A 128 -17.420 2.183 -5.313 1.00 4.79 H new ATOM 0 HZ PHE A 128 -17.719 -0.055 -4.267 1.00 5.59 H new ATOM 1914 N GLY A 129 -13.292 1.465 -8.259 1.00 1.68 N ATOM 1915 CA GLY A 129 -13.664 1.909 -9.596 1.00 2.54 C ATOM 1916 C GLY A 129 -13.663 0.771 -10.622 1.00 1.87 C ATOM 1917 O GLY A 129 -13.785 1.010 -11.824 1.00 2.79 O ATOM 0 H GLY A 129 -14.064 1.036 -7.749 1.00 1.68 H new ATOM 0 HA2 GLY A 129 -14.656 2.360 -9.561 1.00 2.54 H new ATOM 0 HA3 GLY A 129 -12.972 2.686 -9.921 1.00 2.54 H new ATOM 1921 N GLY A 130 -13.553 -0.476 -10.156 1.00 1.18 N ATOM 1922 CA GLY A 130 -13.926 -1.666 -10.911 1.00 1.76 C ATOM 1923 C GLY A 130 -12.810 -2.091 -11.853 1.00 1.81 C ATOM 1924 O GLY A 130 -12.177 -3.124 -11.661 1.00 2.67 O ATOM 0 H GLY A 130 -13.195 -0.686 -9.224 1.00 1.18 H new ATOM 0 HA2 GLY A 130 -14.154 -2.480 -10.223 1.00 1.76 H new ATOM 0 HA3 GLY A 130 -14.833 -1.468 -11.483 1.00 1.76 H new ATOM 1928 N LYS A 131 -12.545 -1.258 -12.862 1.00 1.64 N ATOM 1929 CA LYS A 131 -11.457 -1.499 -13.802 1.00 1.65 C ATOM 1930 C LYS A 131 -10.082 -1.286 -13.144 1.00 1.57 C ATOM 1931 O LYS A 131 -9.066 -1.692 -13.699 1.00 2.11 O ATOM 1932 CB LYS A 131 -11.675 -0.656 -15.069 1.00 1.72 C ATOM 1933 CG LYS A 131 -11.277 0.812 -14.892 1.00 1.59 C ATOM 1934 CD LYS A 131 -11.875 1.706 -15.988 1.00 2.01 C ATOM 1935 CE LYS A 131 -13.336 2.096 -15.688 1.00 3.27 C ATOM 1936 NZ LYS A 131 -13.608 3.516 -16.000 1.00 4.11 N ATOM 0 H LYS A 131 -13.075 -0.406 -13.046 1.00 1.64 H new ATOM 0 HA LYS A 131 -11.463 -2.546 -14.107 1.00 1.65 H new ATOM 0 HB2 LYS A 131 -11.098 -1.086 -15.888 1.00 1.72 H new ATOM 0 HB3 LYS A 131 -12.725 -0.709 -15.357 1.00 1.72 H new ATOM 0 HG2 LYS A 131 -11.611 1.163 -13.916 1.00 1.59 H new ATOM 0 HG3 LYS A 131 -10.190 0.897 -14.907 1.00 1.59 H new ATOM 0 HD2 LYS A 131 -11.273 2.609 -16.087 1.00 2.01 H new ATOM 0 HD3 LYS A 131 -11.829 1.186 -16.945 1.00 2.01 H new ATOM 0 HE2 LYS A 131 -14.006 1.463 -16.269 1.00 3.27 H new ATOM 0 HE3 LYS A 131 -13.552 1.908 -14.636 1.00 3.27 H new ATOM 0 HZ1 LYS A 131 -14.613 3.722 -15.832 1.00 4.11 H new ATOM 0 HZ2 LYS A 131 -13.023 4.123 -15.391 1.00 4.11 H new ATOM 0 HZ3 LYS A 131 -13.379 3.702 -16.997 1.00 4.11 H new ATOM 1950 N ALA A 132 -10.084 -0.625 -11.979 1.00 1.31 N ATOM 1951 CA ALA A 132 -8.984 -0.091 -11.201 1.00 1.24 C ATOM 1952 C ALA A 132 -8.892 1.371 -11.587 1.00 1.46 C ATOM 1953 O ALA A 132 -8.578 1.668 -12.739 1.00 2.33 O ATOM 1954 CB ALA A 132 -7.643 -0.806 -11.378 1.00 1.24 C ATOM 0 H ALA A 132 -10.971 -0.435 -11.512 1.00 1.31 H new ATOM 0 HA ALA A 132 -9.192 -0.242 -10.142 1.00 1.24 H new ATOM 0 HB1 ALA A 132 -6.890 -0.327 -10.752 1.00 1.24 H new ATOM 0 HB2 ALA A 132 -7.747 -1.851 -11.086 1.00 1.24 H new ATOM 0 HB3 ALA A 132 -7.336 -0.750 -12.422 1.00 1.24 H new ATOM 1960 N GLN A 133 -9.240 2.280 -10.673 1.00 0.89 N ATOM 1961 CA GLN A 133 -9.235 3.704 -10.948 1.00 1.03 C ATOM 1962 C GLN A 133 -8.283 4.363 -9.960 1.00 0.87 C ATOM 1963 O GLN A 133 -7.153 4.683 -10.320 1.00 1.08 O ATOM 1964 CB GLN A 133 -10.663 4.269 -10.966 1.00 1.22 C ATOM 1965 CG GLN A 133 -11.554 3.605 -12.038 1.00 1.46 C ATOM 1966 CD GLN A 133 -11.242 4.046 -13.468 1.00 1.63 C ATOM 1967 OE1 GLN A 133 -12.058 4.700 -14.117 1.00 1.91 O ATOM 1968 NE2 GLN A 133 -10.108 3.636 -14.024 1.00 2.91 N ATOM 0 H GLN A 133 -9.532 2.042 -9.725 1.00 0.89 H new ATOM 0 HA GLN A 133 -8.863 3.923 -11.949 1.00 1.03 H new ATOM 0 HB2 GLN A 133 -11.117 4.129 -9.985 1.00 1.22 H new ATOM 0 HB3 GLN A 133 -10.622 5.343 -11.148 1.00 1.22 H new ATOM 0 HG2 GLN A 133 -11.441 2.523 -11.970 1.00 1.46 H new ATOM 0 HG3 GLN A 133 -12.598 3.831 -11.819 1.00 1.46 H new ATOM 0 HE21 GLN A 133 -9.438 3.095 -13.477 1.00 2.91 H new ATOM 0 HE22 GLN A 133 -9.906 3.863 -14.998 1.00 2.91 H new ATOM 1977 N GLU A 134 -8.709 4.501 -8.711 1.00 0.80 N ATOM 1978 CA GLU A 134 -7.965 5.212 -7.684 1.00 0.87 C ATOM 1979 C GLU A 134 -7.986 4.342 -6.433 1.00 0.95 C ATOM 1980 O GLU A 134 -9.010 3.725 -6.131 1.00 1.36 O ATOM 1981 CB GLU A 134 -8.563 6.617 -7.481 1.00 1.29 C ATOM 1982 CG GLU A 134 -8.728 7.303 -8.850 1.00 1.43 C ATOM 1983 CD GLU A 134 -8.999 8.796 -8.801 1.00 2.21 C ATOM 1984 OE1 GLU A 134 -8.462 9.508 -7.928 1.00 2.74 O ATOM 1985 OE2 GLU A 134 -9.606 9.327 -9.752 1.00 3.20 O ATOM 0 H GLU A 134 -9.594 4.116 -8.380 1.00 0.80 H new ATOM 0 HA GLU A 134 -6.925 5.380 -7.964 1.00 0.87 H new ATOM 0 HB2 GLU A 134 -9.528 6.545 -6.979 1.00 1.29 H new ATOM 0 HB3 GLU A 134 -7.913 7.212 -6.839 1.00 1.29 H new ATOM 0 HG2 GLU A 134 -7.823 7.134 -9.434 1.00 1.43 H new ATOM 0 HG3 GLU A 134 -9.546 6.820 -9.384 1.00 1.43 H new ATOM 1992 N VAL A 135 -6.835 4.213 -5.767 1.00 0.79 N ATOM 1993 CA VAL A 135 -6.710 3.365 -4.591 1.00 0.80 C ATOM 1994 C VAL A 135 -7.093 4.175 -3.354 1.00 1.05 C ATOM 1995 O VAL A 135 -6.925 5.394 -3.337 1.00 1.79 O ATOM 1996 CB VAL A 135 -5.307 2.729 -4.485 1.00 0.96 C ATOM 1997 CG1 VAL A 135 -4.800 2.133 -5.805 1.00 1.24 C ATOM 1998 CG2 VAL A 135 -4.285 3.714 -3.935 1.00 1.50 C ATOM 0 H VAL A 135 -5.973 4.692 -6.030 1.00 0.79 H new ATOM 0 HA VAL A 135 -7.397 2.523 -4.676 1.00 0.80 H new ATOM 0 HB VAL A 135 -5.422 1.902 -3.785 1.00 0.96 H new ATOM 0 HG11 VAL A 135 -3.809 1.704 -5.654 1.00 1.24 H new ATOM 0 HG12 VAL A 135 -5.485 1.354 -6.139 1.00 1.24 H new ATOM 0 HG13 VAL A 135 -4.745 2.917 -6.561 1.00 1.24 H new ATOM 0 HG21 VAL A 135 -3.310 3.231 -3.875 1.00 1.50 H new ATOM 0 HG22 VAL A 135 -4.221 4.579 -4.595 1.00 1.50 H new ATOM 0 HG23 VAL A 135 -4.591 4.039 -2.941 1.00 1.50 H new ATOM 2008 N ALA A 136 -7.597 3.495 -2.325 1.00 0.69 N ATOM 2009 CA ALA A 136 -7.992 4.091 -1.062 1.00 0.97 C ATOM 2010 C ALA A 136 -7.419 3.214 0.045 1.00 0.88 C ATOM 2011 O ALA A 136 -7.678 2.010 0.072 1.00 0.86 O ATOM 2012 CB ALA A 136 -9.519 4.169 -0.990 1.00 1.25 C ATOM 0 H ALA A 136 -7.744 2.486 -2.354 1.00 0.69 H new ATOM 0 HA ALA A 136 -7.612 5.107 -0.957 1.00 0.97 H new ATOM 0 HB1 ALA A 136 -9.816 4.617 -0.042 1.00 1.25 H new ATOM 0 HB2 ALA A 136 -9.891 4.780 -1.812 1.00 1.25 H new ATOM 0 HB3 ALA A 136 -9.939 3.166 -1.065 1.00 1.25 H new ATOM 2018 N GLY A 137 -6.577 3.782 0.908 1.00 0.85 N ATOM 2019 CA GLY A 137 -5.980 3.044 2.001 1.00 0.84 C ATOM 2020 C GLY A 137 -5.519 3.973 3.105 1.00 0.80 C ATOM 2021 O GLY A 137 -5.603 5.196 2.991 1.00 0.86 O ATOM 0 H GLY A 137 -6.296 4.761 0.863 1.00 0.85 H new ATOM 0 HA2 GLY A 137 -6.703 2.332 2.400 1.00 0.84 H new ATOM 0 HA3 GLY A 137 -5.133 2.465 1.632 1.00 0.84 H new ATOM 2025 N SER A 138 -4.999 3.380 4.174 1.00 0.75 N ATOM 2026 CA SER A 138 -4.213 4.081 5.169 1.00 0.72 C ATOM 2027 C SER A 138 -3.158 3.112 5.688 1.00 0.68 C ATOM 2028 O SER A 138 -3.476 1.964 6.000 1.00 0.79 O ATOM 2029 CB SER A 138 -5.120 4.596 6.289 1.00 0.81 C ATOM 2030 OG SER A 138 -6.134 5.426 5.751 1.00 1.65 O ATOM 0 H SER A 138 -5.116 2.386 4.372 1.00 0.75 H new ATOM 0 HA SER A 138 -3.720 4.953 4.740 1.00 0.72 H new ATOM 0 HB2 SER A 138 -5.570 3.756 6.819 1.00 0.81 H new ATOM 0 HB3 SER A 138 -4.531 5.154 7.017 1.00 0.81 H new ATOM 0 HG SER A 138 -6.710 5.749 6.475 1.00 1.65 H new ATOM 2036 N ALA A 139 -1.905 3.565 5.738 1.00 0.75 N ATOM 2037 CA ALA A 139 -0.838 2.930 6.486 1.00 0.70 C ATOM 2038 C ALA A 139 -0.642 3.664 7.804 1.00 0.68 C ATOM 2039 O ALA A 139 -0.913 4.861 7.872 1.00 0.81 O ATOM 2040 CB ALA A 139 0.446 2.952 5.650 1.00 0.83 C ATOM 0 H ALA A 139 -1.604 4.405 5.244 1.00 0.75 H new ATOM 0 HA ALA A 139 -1.094 1.893 6.703 1.00 0.70 H new ATOM 0 HB1 ALA A 139 1.252 2.475 6.208 1.00 0.83 H new ATOM 0 HB2 ALA A 139 0.282 2.412 4.717 1.00 0.83 H new ATOM 0 HB3 ALA A 139 0.719 3.984 5.429 1.00 0.83 H new ATOM 2046 N GLU A 140 -0.135 2.964 8.822 1.00 0.65 N ATOM 2047 CA GLU A 140 0.568 3.614 9.915 1.00 0.83 C ATOM 2048 C GLU A 140 1.873 2.880 10.216 1.00 0.77 C ATOM 2049 O GLU A 140 1.900 1.654 10.343 1.00 1.08 O ATOM 2050 CB GLU A 140 -0.326 3.842 11.148 1.00 1.13 C ATOM 2051 CG GLU A 140 -0.717 2.612 11.978 1.00 1.41 C ATOM 2052 CD GLU A 140 -1.271 3.066 13.320 1.00 1.76 C ATOM 2053 OE1 GLU A 140 -2.420 3.545 13.361 1.00 2.56 O ATOM 2054 OE2 GLU A 140 -0.504 3.056 14.312 1.00 2.46 O ATOM 0 H GLU A 140 -0.201 1.950 8.906 1.00 0.65 H new ATOM 0 HA GLU A 140 0.839 4.621 9.598 1.00 0.83 H new ATOM 0 HB2 GLU A 140 0.184 4.544 11.808 1.00 1.13 H new ATOM 0 HB3 GLU A 140 -1.243 4.327 10.813 1.00 1.13 H new ATOM 0 HG2 GLU A 140 -1.462 2.021 11.445 1.00 1.41 H new ATOM 0 HG3 GLU A 140 0.151 1.970 12.128 1.00 1.41 H new ATOM 2061 N VAL A 141 2.960 3.646 10.319 1.00 0.68 N ATOM 2062 CA VAL A 141 4.237 3.193 10.834 1.00 0.72 C ATOM 2063 C VAL A 141 4.421 3.887 12.171 1.00 0.84 C ATOM 2064 O VAL A 141 3.923 4.991 12.369 1.00 1.28 O ATOM 2065 CB VAL A 141 5.357 3.531 9.837 1.00 0.96 C ATOM 2066 CG1 VAL A 141 6.702 2.935 10.274 1.00 2.24 C ATOM 2067 CG2 VAL A 141 4.992 2.975 8.461 1.00 1.93 C ATOM 0 H VAL A 141 2.968 4.626 10.036 1.00 0.68 H new ATOM 0 HA VAL A 141 4.271 2.112 10.968 1.00 0.72 H new ATOM 0 HB VAL A 141 5.459 4.616 9.800 1.00 0.96 H new ATOM 0 HG11 VAL A 141 7.469 3.195 9.545 1.00 2.24 H new ATOM 0 HG12 VAL A 141 6.978 3.336 11.249 1.00 2.24 H new ATOM 0 HG13 VAL A 141 6.616 1.850 10.339 1.00 2.24 H new ATOM 0 HG21 VAL A 141 5.784 3.213 7.751 1.00 1.93 H new ATOM 0 HG22 VAL A 141 4.875 1.893 8.525 1.00 1.93 H new ATOM 0 HG23 VAL A 141 4.057 3.422 8.124 1.00 1.93 H new ATOM 2077 N LYS A 142 5.090 3.243 13.120 1.00 0.79 N ATOM 2078 CA LYS A 142 5.292 3.819 14.431 1.00 0.99 C ATOM 2079 C LYS A 142 6.666 3.397 14.913 1.00 1.21 C ATOM 2080 O LYS A 142 6.944 2.223 15.156 1.00 1.41 O ATOM 2081 CB LYS A 142 4.149 3.419 15.363 1.00 1.14 C ATOM 2082 CG LYS A 142 4.129 1.908 15.616 1.00 1.38 C ATOM 2083 CD LYS A 142 2.699 1.348 15.563 1.00 1.84 C ATOM 2084 CE LYS A 142 1.787 1.923 16.658 1.00 2.58 C ATOM 2085 NZ LYS A 142 0.362 1.660 16.369 1.00 3.35 N ATOM 0 H LYS A 142 5.501 2.317 12.999 1.00 0.79 H new ATOM 0 HA LYS A 142 5.270 4.909 14.406 1.00 0.99 H new ATOM 0 HB2 LYS A 142 4.251 3.946 16.312 1.00 1.14 H new ATOM 0 HB3 LYS A 142 3.199 3.728 14.928 1.00 1.14 H new ATOM 0 HG2 LYS A 142 4.746 1.405 14.871 1.00 1.38 H new ATOM 0 HG3 LYS A 142 4.569 1.695 16.590 1.00 1.38 H new ATOM 0 HD2 LYS A 142 2.266 1.565 14.587 1.00 1.84 H new ATOM 0 HD3 LYS A 142 2.736 0.263 15.661 1.00 1.84 H new ATOM 0 HE2 LYS A 142 2.051 1.485 17.620 1.00 2.58 H new ATOM 0 HE3 LYS A 142 1.950 2.997 16.742 1.00 2.58 H new ATOM 0 HZ1 LYS A 142 -0.164 1.576 17.262 1.00 3.35 H new ATOM 0 HZ2 LYS A 142 -0.029 2.445 15.810 1.00 3.35 H new ATOM 0 HZ3 LYS A 142 0.275 0.774 15.831 1.00 3.35 H new ATOM 2099 N THR A 143 7.569 4.358 14.984 1.00 1.32 N ATOM 2100 CA THR A 143 8.917 4.109 15.457 1.00 1.51 C ATOM 2101 C THR A 143 9.338 5.399 16.151 1.00 1.51 C ATOM 2102 O THR A 143 8.607 6.389 16.062 1.00 1.38 O ATOM 2103 CB THR A 143 9.805 3.694 14.266 1.00 1.60 C ATOM 2104 OG1 THR A 143 9.141 2.707 13.499 1.00 2.85 O ATOM 2105 CG2 THR A 143 11.160 3.112 14.681 1.00 2.72 C ATOM 0 H THR A 143 7.390 5.326 14.717 1.00 1.32 H new ATOM 0 HA THR A 143 9.002 3.284 16.165 1.00 1.51 H new ATOM 0 HB THR A 143 9.986 4.607 13.700 1.00 1.60 H new ATOM 0 HG1 THR A 143 9.706 2.446 12.742 1.00 2.85 H new ATOM 0 HG21 THR A 143 11.729 2.843 13.791 1.00 2.72 H new ATOM 0 HG22 THR A 143 11.714 3.854 15.255 1.00 2.72 H new ATOM 0 HG23 THR A 143 11.002 2.224 15.293 1.00 2.72 H new ATOM 2113 N VAL A 144 10.529 5.418 16.758 1.00 1.70 N ATOM 2114 CA VAL A 144 11.192 6.618 17.273 1.00 1.75 C ATOM 2115 C VAL A 144 11.015 7.818 16.330 1.00 1.69 C ATOM 2116 O VAL A 144 10.992 8.961 16.773 1.00 1.74 O ATOM 2117 CB VAL A 144 12.686 6.306 17.507 1.00 1.85 C ATOM 2118 CG1 VAL A 144 13.470 7.541 17.979 1.00 2.12 C ATOM 2119 CG2 VAL A 144 12.864 5.202 18.561 1.00 2.40 C ATOM 0 H VAL A 144 11.075 4.570 16.909 1.00 1.70 H new ATOM 0 HA VAL A 144 10.728 6.897 18.219 1.00 1.75 H new ATOM 0 HB VAL A 144 13.077 5.977 16.544 1.00 1.85 H new ATOM 0 HG11 VAL A 144 14.515 7.272 18.130 1.00 2.12 H new ATOM 0 HG12 VAL A 144 13.402 8.325 17.225 1.00 2.12 H new ATOM 0 HG13 VAL A 144 13.049 7.903 18.917 1.00 2.12 H new ATOM 0 HG21 VAL A 144 13.926 5.004 18.705 1.00 2.40 H new ATOM 0 HG22 VAL A 144 12.424 5.525 19.505 1.00 2.40 H new ATOM 0 HG23 VAL A 144 12.368 4.292 18.223 1.00 2.40 H new ATOM 2129 N ASN A 145 10.875 7.551 15.027 1.00 1.63 N ATOM 2130 CA ASN A 145 10.481 8.545 14.039 1.00 1.61 C ATOM 2131 C ASN A 145 9.814 7.800 12.885 1.00 1.41 C ATOM 2132 O ASN A 145 10.210 7.918 11.731 1.00 1.49 O ATOM 2133 CB ASN A 145 11.687 9.396 13.600 1.00 1.92 C ATOM 2134 CG ASN A 145 12.799 8.574 12.956 1.00 1.79 C ATOM 2135 OD1 ASN A 145 13.066 8.682 11.765 1.00 2.68 O ATOM 2136 ND2 ASN A 145 13.473 7.723 13.723 1.00 1.99 N ATOM 0 H ASN A 145 11.036 6.625 14.630 1.00 1.63 H new ATOM 0 HA ASN A 145 9.770 9.258 14.457 1.00 1.61 H new ATOM 0 HB2 ASN A 145 11.350 10.156 12.895 1.00 1.92 H new ATOM 0 HB3 ASN A 145 12.088 9.921 14.467 1.00 1.92 H new ATOM 0 HD21 ASN A 145 14.218 7.154 13.321 1.00 1.99 H new ATOM 0 HD22 ASN A 145 13.245 7.639 14.714 1.00 1.99 H new ATOM 2143 N GLY A 146 8.767 7.038 13.215 1.00 1.34 N ATOM 2144 CA GLY A 146 7.973 6.291 12.250 1.00 1.33 C ATOM 2145 C GLY A 146 6.613 6.963 12.126 1.00 1.08 C ATOM 2146 O GLY A 146 5.944 7.179 13.134 1.00 1.04 O ATOM 0 H GLY A 146 8.447 6.925 14.177 1.00 1.34 H new ATOM 0 HA2 GLY A 146 8.475 6.268 11.283 1.00 1.33 H new ATOM 0 HA3 GLY A 146 7.857 5.257 12.574 1.00 1.33 H new ATOM 2150 N ILE A 147 6.240 7.336 10.902 1.00 1.10 N ATOM 2151 CA ILE A 147 5.087 8.160 10.618 1.00 1.13 C ATOM 2152 C ILE A 147 3.790 7.344 10.647 1.00 1.16 C ATOM 2153 O ILE A 147 3.569 6.443 9.840 1.00 1.73 O ATOM 2154 CB ILE A 147 5.287 8.896 9.269 1.00 1.41 C ATOM 2155 CG1 ILE A 147 5.777 7.961 8.146 1.00 2.07 C ATOM 2156 CG2 ILE A 147 6.178 10.127 9.460 1.00 1.89 C ATOM 2157 CD1 ILE A 147 7.286 7.916 7.860 1.00 1.99 C ATOM 0 H ILE A 147 6.752 7.061 10.064 1.00 1.10 H new ATOM 0 HA ILE A 147 4.991 8.911 11.402 1.00 1.13 H new ATOM 0 HB ILE A 147 4.312 9.248 8.932 1.00 1.41 H new ATOM 0 HG12 ILE A 147 5.451 6.949 8.386 1.00 2.07 H new ATOM 0 HG13 ILE A 147 5.270 8.249 7.225 1.00 2.07 H new ATOM 0 HG21 ILE A 147 6.309 10.633 8.504 1.00 1.89 H new ATOM 0 HG22 ILE A 147 5.710 10.809 10.170 1.00 1.89 H new ATOM 0 HG23 ILE A 147 7.150 9.817 9.842 1.00 1.89 H new ATOM 0 HD11 ILE A 147 7.482 7.217 7.047 1.00 1.99 H new ATOM 0 HD12 ILE A 147 7.632 8.910 7.575 1.00 1.99 H new ATOM 0 HD13 ILE A 147 7.816 7.590 8.755 1.00 1.99 H new ATOM 2169 N ARG A 148 2.908 7.679 11.587 1.00 0.79 N ATOM 2170 CA ARG A 148 1.609 7.037 11.696 1.00 0.79 C ATOM 2171 C ARG A 148 0.633 7.599 10.668 1.00 0.74 C ATOM 2172 O ARG A 148 0.055 6.865 9.875 1.00 1.23 O ATOM 2173 CB ARG A 148 1.016 7.184 13.101 1.00 0.91 C ATOM 2174 CG ARG A 148 1.612 6.188 14.105 1.00 1.36 C ATOM 2175 CD ARG A 148 0.785 6.112 15.397 1.00 1.57 C ATOM 2176 NE ARG A 148 -0.595 5.661 15.123 1.00 1.64 N ATOM 2177 CZ ARG A 148 -1.666 6.452 14.919 1.00 1.78 C ATOM 2178 NH1 ARG A 148 -1.601 7.756 15.205 1.00 2.19 N ATOM 2179 NH2 ARG A 148 -2.782 5.951 14.386 1.00 2.45 N ATOM 0 H ARG A 148 3.077 8.400 12.289 1.00 0.79 H new ATOM 0 HA ARG A 148 1.765 5.976 11.500 1.00 0.79 H new ATOM 0 HB2 ARG A 148 1.187 8.199 13.458 1.00 0.91 H new ATOM 0 HB3 ARG A 148 -0.063 7.041 13.052 1.00 0.91 H new ATOM 0 HG2 ARG A 148 1.664 5.200 13.648 1.00 1.36 H new ATOM 0 HG3 ARG A 148 2.634 6.482 14.345 1.00 1.36 H new ATOM 0 HD2 ARG A 148 1.262 5.426 16.097 1.00 1.57 H new ATOM 0 HD3 ARG A 148 0.762 7.091 15.875 1.00 1.57 H new ATOM 0 HE ARG A 148 -0.752 4.654 15.085 1.00 1.64 H new ATOM 0 HH11 ARG A 148 -0.739 8.154 15.578 1.00 2.19 H new ATOM 0 HH12 ARG A 148 -2.413 8.353 15.050 1.00 2.19 H new ATOM 0 HH21 ARG A 148 -2.827 4.964 14.131 1.00 2.45 H new ATOM 0 HH22 ARG A 148 -3.590 6.555 14.234 1.00 2.45 H new ATOM 2193 N HIS A 149 0.381 8.903 10.728 1.00 0.64 N ATOM 2194 CA HIS A 149 -0.649 9.514 9.905 1.00 0.90 C ATOM 2195 C HIS A 149 -0.120 9.682 8.481 1.00 0.82 C ATOM 2196 O HIS A 149 0.409 10.741 8.131 1.00 1.01 O ATOM 2197 CB HIS A 149 -1.116 10.813 10.572 1.00 1.23 C ATOM 2198 CG HIS A 149 -1.805 10.613 11.905 1.00 1.32 C ATOM 2199 ND1 HIS A 149 -2.087 11.607 12.816 1.00 2.65 N ATOM 2200 CD2 HIS A 149 -2.246 9.431 12.446 1.00 1.00 C ATOM 2201 CE1 HIS A 149 -2.673 11.032 13.880 1.00 2.37 C ATOM 2202 NE2 HIS A 149 -2.782 9.702 13.712 1.00 1.10 N ATOM 0 H HIS A 149 0.877 9.553 11.338 1.00 0.64 H new ATOM 0 HA HIS A 149 -1.533 8.882 9.823 1.00 0.90 H new ATOM 0 HB2 HIS A 149 -0.254 11.465 10.715 1.00 1.23 H new ATOM 0 HB3 HIS A 149 -1.798 11.330 9.897 1.00 1.23 H new ATOM 0 HD1 HIS A 149 -1.887 12.601 12.703 1.00 2.65 H new ATOM 0 HD2 HIS A 149 -2.190 8.460 11.977 1.00 1.00 H new ATOM 0 HE1 HIS A 149 -3.012 11.567 14.755 1.00 2.37 H new ATOM 2210 N ILE A 150 -0.247 8.603 7.696 1.00 0.73 N ATOM 2211 CA ILE A 150 0.125 8.520 6.291 1.00 0.61 C ATOM 2212 C ILE A 150 -1.127 8.601 5.410 1.00 0.79 C ATOM 2213 O ILE A 150 -1.998 7.735 5.486 1.00 1.07 O ATOM 2214 CB ILE A 150 0.903 7.219 6.013 1.00 0.73 C ATOM 2215 CG1 ILE A 150 2.167 7.132 6.888 1.00 1.04 C ATOM 2216 CG2 ILE A 150 1.292 7.132 4.531 1.00 1.06 C ATOM 2217 CD1 ILE A 150 2.942 5.827 6.683 1.00 1.56 C ATOM 0 H ILE A 150 -0.631 7.726 8.048 1.00 0.73 H new ATOM 0 HA ILE A 150 0.775 9.361 6.050 1.00 0.61 H new ATOM 0 HB ILE A 150 0.251 6.382 6.262 1.00 0.73 H new ATOM 0 HG12 ILE A 150 2.819 7.976 6.662 1.00 1.04 H new ATOM 0 HG13 ILE A 150 1.884 7.220 7.937 1.00 1.04 H new ATOM 0 HG21 ILE A 150 1.841 6.207 4.353 1.00 1.06 H new ATOM 0 HG22 ILE A 150 0.391 7.144 3.917 1.00 1.06 H new ATOM 0 HG23 ILE A 150 1.921 7.983 4.269 1.00 1.06 H new ATOM 0 HD11 ILE A 150 3.823 5.822 7.325 1.00 1.56 H new ATOM 0 HD12 ILE A 150 2.303 4.981 6.936 1.00 1.56 H new ATOM 0 HD13 ILE A 150 3.253 5.748 5.641 1.00 1.56 H new ATOM 2229 N GLY A 151 -1.190 9.603 4.531 1.00 0.81 N ATOM 2230 CA GLY A 151 -2.179 9.685 3.470 1.00 1.03 C ATOM 2231 C GLY A 151 -1.719 8.840 2.281 1.00 0.76 C ATOM 2232 O GLY A 151 -0.738 9.184 1.618 1.00 0.86 O ATOM 0 H GLY A 151 -0.542 10.390 4.542 1.00 0.81 H new ATOM 0 HA2 GLY A 151 -3.145 9.331 3.830 1.00 1.03 H new ATOM 0 HA3 GLY A 151 -2.314 10.722 3.163 1.00 1.03 H new ATOM 2236 N LEU A 152 -2.416 7.730 2.023 1.00 0.63 N ATOM 2237 CA LEU A 152 -2.150 6.816 0.919 1.00 0.66 C ATOM 2238 C LEU A 152 -3.133 7.120 -0.214 1.00 0.57 C ATOM 2239 O LEU A 152 -4.342 7.039 -0.001 1.00 0.68 O ATOM 2240 CB LEU A 152 -2.310 5.380 1.440 1.00 1.03 C ATOM 2241 CG LEU A 152 -1.748 4.256 0.552 1.00 0.67 C ATOM 2242 CD1 LEU A 152 -2.339 4.210 -0.862 1.00 0.60 C ATOM 2243 CD2 LEU A 152 -0.221 4.296 0.473 1.00 0.71 C ATOM 0 H LEU A 152 -3.206 7.437 2.598 1.00 0.63 H new ATOM 0 HA LEU A 152 -1.138 6.935 0.531 1.00 0.66 H new ATOM 0 HB2 LEU A 152 -1.828 5.316 2.415 1.00 1.03 H new ATOM 0 HB3 LEU A 152 -3.372 5.191 1.596 1.00 1.03 H new ATOM 0 HG LEU A 152 -2.060 3.339 1.053 1.00 0.67 H new ATOM 0 HD11 LEU A 152 -1.887 3.389 -1.419 1.00 0.60 H new ATOM 0 HD12 LEU A 152 -3.417 4.058 -0.801 1.00 0.60 H new ATOM 0 HD13 LEU A 152 -2.134 5.151 -1.373 1.00 0.60 H new ATOM 0 HD21 LEU A 152 0.132 3.485 -0.164 1.00 0.71 H new ATOM 0 HD22 LEU A 152 0.097 5.251 0.054 1.00 0.71 H new ATOM 0 HD23 LEU A 152 0.198 4.181 1.473 1.00 0.71 H new ATOM 2255 N ALA A 153 -2.638 7.445 -1.413 1.00 0.73 N ATOM 2256 CA ALA A 153 -3.472 7.616 -2.599 1.00 0.85 C ATOM 2257 C ALA A 153 -2.692 7.181 -3.841 1.00 0.83 C ATOM 2258 O ALA A 153 -1.466 7.110 -3.792 1.00 1.01 O ATOM 2259 CB ALA A 153 -3.913 9.079 -2.713 1.00 1.05 C ATOM 0 H ALA A 153 -1.644 7.596 -1.585 1.00 0.73 H new ATOM 0 HA ALA A 153 -4.363 6.994 -2.516 1.00 0.85 H new ATOM 0 HB1 ALA A 153 -4.535 9.203 -3.599 1.00 1.05 H new ATOM 0 HB2 ALA A 153 -4.484 9.357 -1.827 1.00 1.05 H new ATOM 0 HB3 ALA A 153 -3.034 9.719 -2.794 1.00 1.05 H new ATOM 2265 N ALA A 154 -3.391 6.898 -4.947 1.00 0.85 N ATOM 2266 CA ALA A 154 -2.791 6.562 -6.233 1.00 0.84 C ATOM 2267 C ALA A 154 -3.671 7.073 -7.354 1.00 0.91 C ATOM 2268 O ALA A 154 -4.872 7.257 -7.155 1.00 1.02 O ATOM 2269 CB ALA A 154 -2.601 5.054 -6.413 1.00 1.01 C ATOM 0 H ALA A 154 -4.411 6.898 -4.968 1.00 0.85 H new ATOM 0 HA ALA A 154 -1.809 7.034 -6.260 1.00 0.84 H new ATOM 0 HB1 ALA A 154 -2.151 4.858 -7.386 1.00 1.01 H new ATOM 0 HB2 ALA A 154 -1.948 4.673 -5.628 1.00 1.01 H new ATOM 0 HB3 ALA A 154 -3.569 4.556 -6.353 1.00 1.01 H new ATOM 2275 N LYS A 155 -3.056 7.292 -8.516 1.00 1.00 N ATOM 2276 CA LYS A 155 -3.706 7.905 -9.656 1.00 1.19 C ATOM 2277 C LYS A 155 -3.066 7.540 -11.004 1.00 1.33 C ATOM 2278 O LYS A 155 -2.721 8.429 -11.778 1.00 2.05 O ATOM 2279 CB LYS A 155 -3.744 9.422 -9.444 1.00 1.63 C ATOM 2280 CG LYS A 155 -4.752 10.025 -10.424 1.00 1.72 C ATOM 2281 CD LYS A 155 -5.894 10.670 -9.627 1.00 1.61 C ATOM 2282 CE LYS A 155 -7.031 11.182 -10.519 1.00 2.58 C ATOM 2283 NZ LYS A 155 -8.206 11.583 -9.714 1.00 3.17 N ATOM 0 H LYS A 155 -2.082 7.043 -8.686 1.00 1.00 H new ATOM 0 HA LYS A 155 -4.719 7.508 -9.714 1.00 1.19 H new ATOM 0 HB2 LYS A 155 -4.029 9.654 -8.418 1.00 1.63 H new ATOM 0 HB3 LYS A 155 -2.755 9.852 -9.605 1.00 1.63 H new ATOM 0 HG2 LYS A 155 -4.266 10.769 -11.055 1.00 1.72 H new ATOM 0 HG3 LYS A 155 -5.143 9.252 -11.086 1.00 1.72 H new ATOM 0 HD2 LYS A 155 -6.293 9.942 -8.921 1.00 1.61 H new ATOM 0 HD3 LYS A 155 -5.498 11.499 -9.041 1.00 1.61 H new ATOM 0 HE2 LYS A 155 -6.682 12.032 -11.105 1.00 2.58 H new ATOM 0 HE3 LYS A 155 -7.320 10.404 -11.226 1.00 2.58 H new ATOM 0 HZ1 LYS A 155 -9.025 11.001 -9.982 1.00 3.17 H new ATOM 0 HZ2 LYS A 155 -7.998 11.445 -8.704 1.00 3.17 H new ATOM 0 HZ3 LYS A 155 -8.421 12.585 -9.890 1.00 3.17 H new ATOM 2297 N GLN A 156 -3.053 6.242 -11.304 1.00 1.54 N ATOM 2298 CA GLN A 156 -2.984 5.678 -12.648 1.00 1.43 C ATOM 2299 C GLN A 156 -1.705 5.931 -13.446 1.00 3.02 C ATOM 2300 O GLN A 156 -1.543 5.233 -14.473 1.00 3.82 O ATOM 2301 CB GLN A 156 -4.228 6.065 -13.452 1.00 2.24 C ATOM 2302 CG GLN A 156 -5.481 5.566 -12.725 1.00 2.62 C ATOM 2303 CD GLN A 156 -6.138 4.364 -13.395 1.00 3.45 C ATOM 2304 OE1 GLN A 156 -6.393 4.351 -14.595 1.00 4.90 O ATOM 2305 NE2 GLN A 156 -6.437 3.342 -12.604 1.00 3.16 N ATOM 0 H GLN A 156 -3.092 5.523 -10.582 1.00 1.54 H new ATOM 0 HA GLN A 156 -2.953 4.602 -12.479 1.00 1.43 H new ATOM 0 HB2 GLN A 156 -4.273 7.147 -13.575 1.00 2.24 H new ATOM 0 HB3 GLN A 156 -4.178 5.632 -14.451 1.00 2.24 H new ATOM 0 HG2 GLN A 156 -5.216 5.301 -11.702 1.00 2.62 H new ATOM 0 HG3 GLN A 156 -6.205 6.379 -12.666 1.00 2.62 H new ATOM 0 HE21 GLN A 156 -6.212 3.383 -11.610 1.00 3.16 H new ATOM 0 HE22 GLN A 156 -6.892 2.515 -12.990 1.00 3.16 H new