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 116 ASN : amide:sc= 1.29 K(o=1.9,f=-3.3!) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.625 K(o=1.9,f=0.42) USER MOD Set 2.1: A 86 LYS NZ :NH3+ -132:sc= 1.26 (180deg=-1.29) USER MOD Set 2.2: A 115 TYR OH : rot 180:sc= 0.41 USER MOD Set 2.3: A 145 ASN : amide:sc= -0.0619 K(o=1.6,f=-11!) USER MOD Set 3.1: A 40 THR OG1 : rot 84:sc= 1.83 USER MOD Set 3.2: A 106 HIS : no HE2:sc= -6.1! C(o=-4.3!,f=-13!) USER MOD Single : A 39 HIS : no HE2:sc= 0.264 K(o=0.26,f=-5.7!) USER MOD Single : A 41 SER OG : rot 78:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 0.986 (180deg=-1.11) USER MOD Single : A 52 THR OG1 : rot -47:sc= 1.03 USER MOD Single : A 53 TYR OH : rot 80:sc= -0.379 USER MOD Single : A 56 THR OG1 : rot 47:sc= 0.0301 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0.62 USER MOD Single : A 69 TYR OH : rot 30:sc= 0.968 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= -0.0676 (180deg=-2.93!) USER MOD Single : A 77 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 79 ASN : amide:sc= -0.31 K(o=-0.31,f=-6!) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= -0.229 (180deg=-0.469) USER MOD Single : A 84 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-13!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.896 USER MOD Single : A 91 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.029) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.07) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 1.22 (180deg=-0.11) USER MOD Single : A 110 SER OG : rot 40:sc= 0.767 USER MOD Single : A 112 SER OG : rot -157:sc= 1.19 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 123 TYR OH : rot 178:sc= 1.21 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= 0.214 K(o=0.21,f=-0.37) USER MOD Single : A 138 SER OG : rot 36:sc= 0.551 USER MOD Single : A 142 LYS NZ :NH3+ 139:sc= 1.09 (180deg=-0.943!) USER MOD Single : A 143 THR OG1 : rot -172:sc= 1.51 USER MOD Single : A 149 HIS : no HE2:sc= -0.079 K(o=-0.079,f=-1.1) USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= 0.958 (180deg=0.334) USER MOD Single : A 156 GLN : amide:sc= -0.982 K(o=-0.98,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -8.785 -14.953 -4.027 1.00 1.96 N ATOM 561 CA GLY A 37 -8.865 -13.633 -4.639 1.00 1.66 C ATOM 562 C GLY A 37 -10.291 -13.197 -4.992 1.00 1.47 C ATOM 563 O GLY A 37 -10.479 -12.026 -5.314 1.00 1.85 O ATOM 0 HA2 GLY A 37 -8.430 -12.901 -3.959 1.00 1.66 H new ATOM 0 HA3 GLY A 37 -8.259 -13.626 -5.545 1.00 1.66 H new ATOM 567 N GLU A 38 -11.272 -14.109 -4.962 1.00 1.51 N ATOM 568 CA GLU A 38 -12.657 -13.963 -5.388 1.00 1.49 C ATOM 569 C GLU A 38 -13.008 -12.617 -6.033 1.00 1.31 C ATOM 570 O GLU A 38 -12.873 -12.455 -7.247 1.00 1.38 O ATOM 571 CB GLU A 38 -13.598 -14.339 -4.233 1.00 1.74 C ATOM 572 CG GLU A 38 -13.421 -15.815 -3.827 1.00 2.28 C ATOM 573 CD GLU A 38 -12.967 -15.993 -2.384 1.00 3.36 C ATOM 574 OE1 GLU A 38 -11.770 -15.764 -2.100 1.00 4.52 O ATOM 575 OE2 GLU A 38 -13.814 -16.389 -1.556 1.00 3.80 O ATOM 0 H GLU A 38 -11.093 -15.048 -4.606 1.00 1.51 H new ATOM 0 HA GLU A 38 -12.801 -14.665 -6.209 1.00 1.49 H new ATOM 0 HB2 GLU A 38 -13.399 -13.697 -3.375 1.00 1.74 H new ATOM 0 HB3 GLU A 38 -14.632 -14.163 -4.531 1.00 1.74 H new ATOM 0 HG2 GLU A 38 -14.365 -16.340 -3.971 1.00 2.28 H new ATOM 0 HG3 GLU A 38 -12.693 -16.282 -4.490 1.00 2.28 H new ATOM 582 N HIS A 39 -13.526 -11.666 -5.250 1.00 1.30 N ATOM 583 CA HIS A 39 -14.057 -10.421 -5.786 1.00 1.44 C ATOM 584 C HIS A 39 -12.907 -9.541 -6.263 1.00 1.29 C ATOM 585 O HIS A 39 -12.948 -8.971 -7.349 1.00 1.68 O ATOM 586 CB HIS A 39 -14.950 -9.736 -4.749 1.00 1.77 C ATOM 587 CG HIS A 39 -16.028 -10.649 -4.225 1.00 2.51 C ATOM 588 ND1 HIS A 39 -15.857 -11.668 -3.314 1.00 3.02 N ATOM 589 CD2 HIS A 39 -17.330 -10.680 -4.645 1.00 3.71 C ATOM 590 CE1 HIS A 39 -17.038 -12.298 -3.191 1.00 3.89 C ATOM 591 NE2 HIS A 39 -17.971 -11.717 -3.965 1.00 4.35 N ATOM 0 H HIS A 39 -13.586 -11.742 -4.235 1.00 1.30 H new ATOM 0 HA HIS A 39 -14.689 -10.621 -6.651 1.00 1.44 H new ATOM 0 HB2 HIS A 39 -14.336 -9.389 -3.918 1.00 1.77 H new ATOM 0 HB3 HIS A 39 -15.410 -8.854 -5.195 1.00 1.77 H new ATOM 0 HD1 HIS A 39 -14.994 -11.901 -2.823 1.00 3.02 H new ATOM 0 HD2 HIS A 39 -17.781 -10.021 -5.372 1.00 3.71 H new ATOM 0 HE1 HIS A 39 -17.213 -13.154 -2.557 1.00 3.89 H new ATOM 599 N THR A 40 -11.859 -9.477 -5.451 1.00 1.05 N ATOM 600 CA THR A 40 -10.635 -8.745 -5.683 1.00 1.29 C ATOM 601 C THR A 40 -9.985 -9.091 -7.025 1.00 1.62 C ATOM 602 O THR A 40 -9.370 -8.215 -7.636 1.00 2.37 O ATOM 603 CB THR A 40 -9.721 -8.987 -4.475 1.00 1.61 C ATOM 604 OG1 THR A 40 -10.345 -8.414 -3.350 1.00 3.03 O ATOM 605 CG2 THR A 40 -8.341 -8.369 -4.643 1.00 2.27 C ATOM 0 H THR A 40 -11.848 -9.969 -4.558 1.00 1.05 H new ATOM 0 HA THR A 40 -10.843 -7.678 -5.768 1.00 1.29 H new ATOM 0 HB THR A 40 -9.575 -10.062 -4.365 1.00 1.61 H new ATOM 0 HG1 THR A 40 -10.991 -9.049 -2.976 1.00 3.03 H new ATOM 0 HG21 THR A 40 -7.740 -8.574 -3.757 1.00 2.27 H new ATOM 0 HG22 THR A 40 -7.854 -8.799 -5.518 1.00 2.27 H new ATOM 0 HG23 THR A 40 -8.438 -7.291 -4.774 1.00 2.27 H new ATOM 613 N SER A 41 -10.051 -10.349 -7.458 1.00 1.32 N ATOM 614 CA SER A 41 -9.790 -10.738 -8.838 1.00 1.42 C ATOM 615 C SER A 41 -10.962 -10.321 -9.735 1.00 1.48 C ATOM 616 O SER A 41 -10.829 -9.466 -10.607 1.00 1.71 O ATOM 617 CB SER A 41 -9.494 -12.243 -8.935 1.00 1.39 C ATOM 618 OG SER A 41 -9.078 -12.557 -10.251 1.00 2.09 O ATOM 0 H SER A 41 -10.290 -11.134 -6.852 1.00 1.32 H new ATOM 0 HA SER A 41 -8.901 -10.216 -9.192 1.00 1.42 H new ATOM 0 HB2 SER A 41 -8.718 -12.519 -8.221 1.00 1.39 H new ATOM 0 HB3 SER A 41 -10.384 -12.817 -8.676 1.00 1.39 H new ATOM 0 HG SER A 41 -8.141 -12.294 -10.369 1.00 2.09 H new ATOM 624 N PHE A 42 -12.119 -10.955 -9.524 1.00 1.47 N ATOM 625 CA PHE A 42 -13.240 -10.982 -10.456 1.00 1.86 C ATOM 626 C PHE A 42 -13.706 -9.597 -10.915 1.00 1.80 C ATOM 627 O PHE A 42 -14.000 -9.440 -12.100 1.00 2.18 O ATOM 628 CB PHE A 42 -14.382 -11.774 -9.804 1.00 2.14 C ATOM 629 CG PHE A 42 -15.743 -11.720 -10.477 1.00 2.63 C ATOM 630 CD1 PHE A 42 -15.874 -11.844 -11.875 1.00 3.98 C ATOM 631 CD2 PHE A 42 -16.889 -11.514 -9.686 1.00 2.34 C ATOM 632 CE1 PHE A 42 -17.136 -11.695 -12.478 1.00 4.46 C ATOM 633 CE2 PHE A 42 -18.151 -11.383 -10.286 1.00 2.75 C ATOM 634 CZ PHE A 42 -18.275 -11.459 -11.686 1.00 3.63 C ATOM 0 H PHE A 42 -12.303 -11.480 -8.669 1.00 1.47 H new ATOM 0 HA PHE A 42 -12.905 -11.469 -11.372 1.00 1.86 H new ATOM 0 HB2 PHE A 42 -14.077 -12.819 -9.745 1.00 2.14 H new ATOM 0 HB3 PHE A 42 -14.498 -11.417 -8.781 1.00 2.14 H new ATOM 0 HD1 PHE A 42 -15.006 -12.053 -12.483 1.00 3.98 H new ATOM 0 HD2 PHE A 42 -16.797 -11.456 -8.611 1.00 2.34 H new ATOM 0 HE1 PHE A 42 -17.231 -11.762 -13.552 1.00 4.46 H new ATOM 0 HE2 PHE A 42 -19.026 -11.224 -9.674 1.00 2.75 H new ATOM 0 HZ PHE A 42 -19.242 -11.336 -12.151 1.00 3.63 H new ATOM 644 N ASP A 43 -13.828 -8.636 -9.986 1.00 1.50 N ATOM 645 CA ASP A 43 -14.611 -7.403 -10.117 1.00 1.59 C ATOM 646 C ASP A 43 -14.676 -6.886 -11.554 1.00 1.54 C ATOM 647 O ASP A 43 -15.772 -6.818 -12.110 1.00 2.17 O ATOM 648 CB ASP A 43 -14.118 -6.321 -9.148 1.00 1.68 C ATOM 649 CG ASP A 43 -15.072 -5.136 -9.139 1.00 1.89 C ATOM 650 OD1 ASP A 43 -15.021 -4.310 -10.075 1.00 2.49 O ATOM 651 OD2 ASP A 43 -15.894 -5.025 -8.207 1.00 2.87 O ATOM 0 H ASP A 43 -13.361 -8.703 -9.082 1.00 1.50 H new ATOM 0 HA ASP A 43 -15.634 -7.658 -9.841 1.00 1.59 H new ATOM 0 HB2 ASP A 43 -14.035 -6.735 -8.143 1.00 1.68 H new ATOM 0 HB3 ASP A 43 -13.121 -5.990 -9.440 1.00 1.68 H new ATOM 656 N LYS A 44 -13.506 -6.611 -12.146 1.00 1.28 N ATOM 657 CA LYS A 44 -13.256 -6.459 -13.578 1.00 1.40 C ATOM 658 C LYS A 44 -11.752 -6.297 -13.752 1.00 1.44 C ATOM 659 O LYS A 44 -11.260 -5.262 -14.196 1.00 1.86 O ATOM 660 CB LYS A 44 -14.052 -5.302 -14.218 1.00 1.74 C ATOM 661 CG LYS A 44 -15.394 -5.789 -14.785 1.00 2.15 C ATOM 662 CD LYS A 44 -16.558 -4.924 -14.273 1.00 2.35 C ATOM 663 CE LYS A 44 -17.913 -5.639 -14.366 1.00 3.45 C ATOM 664 NZ LYS A 44 -17.920 -6.902 -13.595 1.00 4.48 N ATOM 0 H LYS A 44 -12.656 -6.481 -11.598 1.00 1.28 H new ATOM 0 HA LYS A 44 -13.610 -7.343 -14.108 1.00 1.40 H new ATOM 0 HB2 LYS A 44 -14.230 -4.526 -13.474 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -13.462 -4.850 -15.015 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -15.365 -5.757 -15.874 1.00 2.15 H new ATOM 0 HG3 LYS A 44 -15.557 -6.829 -14.500 1.00 2.15 H new ATOM 0 HD2 LYS A 44 -16.369 -4.645 -13.236 1.00 2.35 H new ATOM 0 HD3 LYS A 44 -16.599 -4.000 -14.849 1.00 2.35 H new ATOM 0 HE2 LYS A 44 -18.698 -4.981 -13.993 1.00 3.45 H new ATOM 0 HE3 LYS A 44 -18.143 -5.849 -15.411 1.00 3.45 H new ATOM 0 HZ1 LYS A 44 -18.862 -7.049 -13.178 1.00 4.48 H new ATOM 0 HZ2 LYS A 44 -17.693 -7.696 -14.227 1.00 4.48 H new ATOM 0 HZ3 LYS A 44 -17.210 -6.850 -12.837 1.00 4.48 H new ATOM 678 N LEU A 45 -11.028 -7.346 -13.367 1.00 1.30 N ATOM 679 CA LEU A 45 -9.581 -7.441 -13.481 1.00 1.47 C ATOM 680 C LEU A 45 -9.262 -8.859 -13.977 1.00 1.61 C ATOM 681 O LEU A 45 -10.062 -9.767 -13.755 1.00 2.33 O ATOM 682 CB LEU A 45 -8.917 -7.118 -12.127 1.00 1.64 C ATOM 683 CG LEU A 45 -9.257 -5.717 -11.581 1.00 1.52 C ATOM 684 CD1 LEU A 45 -8.827 -5.599 -10.117 1.00 1.85 C ATOM 685 CD2 LEU A 45 -8.576 -4.613 -12.395 1.00 2.47 C ATOM 0 H LEU A 45 -11.450 -8.178 -12.954 1.00 1.30 H new ATOM 0 HA LEU A 45 -9.182 -6.715 -14.190 1.00 1.47 H new ATOM 0 HB2 LEU A 45 -9.224 -7.866 -11.396 1.00 1.64 H new ATOM 0 HB3 LEU A 45 -7.836 -7.202 -12.235 1.00 1.64 H new ATOM 0 HG LEU A 45 -10.337 -5.591 -11.662 1.00 1.52 H new ATOM 0 HD11 LEU A 45 -9.073 -4.605 -9.745 1.00 1.85 H new ATOM 0 HD12 LEU A 45 -9.349 -6.349 -9.523 1.00 1.85 H new ATOM 0 HD13 LEU A 45 -7.752 -5.760 -10.040 1.00 1.85 H new ATOM 0 HD21 LEU A 45 -8.839 -3.640 -11.980 1.00 2.47 H new ATOM 0 HD22 LEU A 45 -7.495 -4.745 -12.353 1.00 2.47 H new ATOM 0 HD23 LEU A 45 -8.909 -4.667 -13.432 1.00 2.47 H new ATOM 697 N PRO A 46 -8.159 -9.050 -14.716 1.00 1.33 N ATOM 698 CA PRO A 46 -7.821 -10.325 -15.336 1.00 1.60 C ATOM 699 C PRO A 46 -7.297 -11.324 -14.307 1.00 1.62 C ATOM 700 O PRO A 46 -6.926 -10.941 -13.203 1.00 1.53 O ATOM 701 CB PRO A 46 -6.739 -9.994 -16.367 1.00 1.83 C ATOM 702 CG PRO A 46 -6.061 -8.759 -15.779 1.00 1.79 C ATOM 703 CD PRO A 46 -7.212 -8.019 -15.099 1.00 1.52 C ATOM 0 HA PRO A 46 -8.695 -10.792 -15.791 1.00 1.60 H new ATOM 0 HB2 PRO A 46 -6.036 -10.818 -16.492 1.00 1.83 H new ATOM 0 HB3 PRO A 46 -7.167 -9.789 -17.348 1.00 1.83 H new ATOM 0 HG2 PRO A 46 -5.280 -9.029 -15.068 1.00 1.79 H new ATOM 0 HG3 PRO A 46 -5.592 -8.151 -16.552 1.00 1.79 H new ATOM 0 HD2 PRO A 46 -6.862 -7.463 -14.229 1.00 1.52 H new ATOM 0 HD3 PRO A 46 -7.669 -7.297 -15.776 1.00 1.52 H new ATOM 711 N GLU A 47 -7.185 -12.600 -14.683 1.00 2.39 N ATOM 712 CA GLU A 47 -6.734 -13.678 -13.807 1.00 3.13 C ATOM 713 C GLU A 47 -5.209 -13.685 -13.568 1.00 2.96 C ATOM 714 O GLU A 47 -4.579 -14.740 -13.533 1.00 3.77 O ATOM 715 CB GLU A 47 -7.304 -15.006 -14.342 1.00 4.28 C ATOM 716 CG GLU A 47 -6.879 -15.394 -15.771 1.00 4.50 C ATOM 717 CD GLU A 47 -7.799 -16.466 -16.347 1.00 5.83 C ATOM 718 OE1 GLU A 47 -8.937 -16.102 -16.711 1.00 6.69 O ATOM 719 OE2 GLU A 47 -7.364 -17.637 -16.418 1.00 6.34 O ATOM 0 H GLU A 47 -7.411 -12.917 -15.626 1.00 2.39 H new ATOM 0 HA GLU A 47 -7.126 -13.516 -12.803 1.00 3.13 H new ATOM 0 HB2 GLU A 47 -7.005 -15.806 -13.665 1.00 4.28 H new ATOM 0 HB3 GLU A 47 -8.392 -14.951 -14.310 1.00 4.28 H new ATOM 0 HG2 GLU A 47 -6.898 -14.512 -16.411 1.00 4.50 H new ATOM 0 HG3 GLU A 47 -5.852 -15.759 -15.762 1.00 4.50 H new ATOM 726 N GLY A 48 -4.607 -12.506 -13.362 1.00 2.33 N ATOM 727 CA GLY A 48 -3.192 -12.333 -13.031 1.00 2.58 C ATOM 728 C GLY A 48 -2.620 -11.034 -13.613 1.00 1.75 C ATOM 729 O GLY A 48 -3.100 -10.565 -14.642 1.00 2.73 O ATOM 0 H GLY A 48 -5.110 -11.621 -13.424 1.00 2.33 H new ATOM 0 HA2 GLY A 48 -3.071 -12.329 -11.948 1.00 2.58 H new ATOM 0 HA3 GLY A 48 -2.624 -13.182 -13.412 1.00 2.58 H new ATOM 733 N GLY A 49 -1.591 -10.458 -12.968 1.00 1.69 N ATOM 734 CA GLY A 49 -0.765 -9.385 -13.531 1.00 1.97 C ATOM 735 C GLY A 49 -0.683 -8.099 -12.694 1.00 2.12 C ATOM 736 O GLY A 49 -1.401 -7.924 -11.716 1.00 3.46 O ATOM 0 H GLY A 49 -1.309 -10.732 -12.027 1.00 1.69 H new ATOM 0 HA2 GLY A 49 0.245 -9.767 -13.676 1.00 1.97 H new ATOM 0 HA3 GLY A 49 -1.154 -9.131 -14.517 1.00 1.97 H new ATOM 740 N ARG A 50 0.223 -7.197 -13.095 1.00 1.06 N ATOM 741 CA ARG A 50 0.518 -5.942 -12.405 1.00 1.00 C ATOM 742 C ARG A 50 -0.544 -4.890 -12.717 1.00 1.03 C ATOM 743 O ARG A 50 -1.041 -4.813 -13.839 1.00 1.38 O ATOM 744 CB ARG A 50 1.929 -5.459 -12.779 1.00 0.95 C ATOM 745 CG ARG A 50 2.081 -5.069 -14.260 1.00 2.48 C ATOM 746 CD ARG A 50 3.546 -4.792 -14.620 1.00 2.80 C ATOM 747 NE ARG A 50 4.358 -6.019 -14.555 1.00 3.09 N ATOM 748 CZ ARG A 50 5.659 -6.103 -14.882 1.00 4.00 C ATOM 749 NH1 ARG A 50 6.315 -5.009 -15.284 1.00 4.88 N ATOM 750 NH2 ARG A 50 6.294 -7.278 -14.806 1.00 4.56 N ATOM 0 H ARG A 50 0.786 -7.328 -13.935 1.00 1.06 H new ATOM 0 HA ARG A 50 0.494 -6.111 -11.329 1.00 1.00 H new ATOM 0 HB2 ARG A 50 2.185 -4.600 -12.159 1.00 0.95 H new ATOM 0 HB3 ARG A 50 2.646 -6.246 -12.545 1.00 0.95 H new ATOM 0 HG2 ARG A 50 1.696 -5.871 -14.890 1.00 2.48 H new ATOM 0 HG3 ARG A 50 1.480 -4.184 -14.468 1.00 2.48 H new ATOM 0 HD2 ARG A 50 3.602 -4.370 -15.623 1.00 2.80 H new ATOM 0 HD3 ARG A 50 3.955 -4.047 -13.938 1.00 2.80 H new ATOM 0 HE ARG A 50 3.897 -6.872 -14.237 1.00 3.09 H new ATOM 0 HH11 ARG A 50 5.828 -4.115 -15.342 1.00 4.88 H new ATOM 0 HH12 ARG A 50 7.302 -5.069 -15.533 1.00 4.88 H new ATOM 0 HH21 ARG A 50 5.791 -8.111 -14.500 1.00 4.56 H new ATOM 0 HH22 ARG A 50 7.281 -7.341 -15.054 1.00 4.56 H new ATOM 764 N ALA A 51 -0.862 -4.070 -11.715 1.00 0.98 N ATOM 765 CA ALA A 51 -1.760 -2.938 -11.814 1.00 0.98 C ATOM 766 C ALA A 51 -0.956 -1.647 -11.813 1.00 0.76 C ATOM 767 O ALA A 51 0.258 -1.671 -11.636 1.00 1.01 O ATOM 768 CB ALA A 51 -2.685 -2.943 -10.605 1.00 1.30 C ATOM 0 H ALA A 51 -0.481 -4.188 -10.776 1.00 0.98 H new ATOM 0 HA ALA A 51 -2.338 -3.006 -12.736 1.00 0.98 H new ATOM 0 HB1 ALA A 51 -3.368 -2.095 -10.666 1.00 1.30 H new ATOM 0 HB2 ALA A 51 -3.258 -3.870 -10.589 1.00 1.30 H new ATOM 0 HB3 ALA A 51 -2.093 -2.867 -9.693 1.00 1.30 H new ATOM 774 N THR A 52 -1.652 -0.522 -11.968 1.00 0.83 N ATOM 775 CA THR A 52 -1.089 0.816 -11.941 1.00 1.00 C ATOM 776 C THR A 52 -1.352 1.477 -10.580 1.00 1.11 C ATOM 777 O THR A 52 -1.932 2.554 -10.522 1.00 1.59 O ATOM 778 CB THR A 52 -1.670 1.613 -13.131 1.00 1.44 C ATOM 779 OG1 THR A 52 -1.381 2.991 -13.037 1.00 1.95 O ATOM 780 CG2 THR A 52 -3.169 1.360 -13.362 1.00 1.37 C ATOM 0 H THR A 52 -2.660 -0.523 -12.121 1.00 0.83 H new ATOM 0 HA THR A 52 -0.005 0.788 -12.054 1.00 1.00 H new ATOM 0 HB THR A 52 -1.162 1.231 -14.016 1.00 1.44 H new ATOM 0 HG1 THR A 52 -1.577 3.305 -12.130 1.00 1.95 H new ATOM 0 HG21 THR A 52 -3.511 1.951 -14.212 1.00 1.37 H new ATOM 0 HG22 THR A 52 -3.332 0.302 -13.566 1.00 1.37 H new ATOM 0 HG23 THR A 52 -3.728 1.648 -12.472 1.00 1.37 H new ATOM 788 N TYR A 53 -0.876 0.903 -9.471 1.00 1.29 N ATOM 789 CA TYR A 53 -0.995 1.542 -8.159 1.00 1.74 C ATOM 790 C TYR A 53 0.060 2.657 -8.044 1.00 1.66 C ATOM 791 O TYR A 53 1.007 2.554 -7.267 1.00 2.17 O ATOM 792 CB TYR A 53 -0.811 0.508 -7.033 1.00 2.03 C ATOM 793 CG TYR A 53 -1.962 -0.411 -6.685 1.00 1.81 C ATOM 794 CD1 TYR A 53 -2.004 -0.957 -5.388 1.00 2.88 C ATOM 795 CD2 TYR A 53 -2.911 -0.814 -7.642 1.00 2.27 C ATOM 796 CE1 TYR A 53 -3.023 -1.850 -5.028 1.00 3.01 C ATOM 797 CE2 TYR A 53 -3.922 -1.721 -7.286 1.00 2.74 C ATOM 798 CZ TYR A 53 -3.991 -2.219 -5.973 1.00 2.54 C ATOM 799 OH TYR A 53 -5.015 -3.032 -5.599 1.00 3.21 O ATOM 0 H TYR A 53 -0.405 -0.002 -9.457 1.00 1.29 H new ATOM 0 HA TYR A 53 -1.991 1.973 -8.058 1.00 1.74 H new ATOM 0 HB2 TYR A 53 0.041 -0.118 -7.297 1.00 2.03 H new ATOM 0 HB3 TYR A 53 -0.539 1.052 -6.128 1.00 2.03 H new ATOM 0 HD1 TYR A 53 -1.247 -0.686 -4.667 1.00 2.88 H new ATOM 0 HD2 TYR A 53 -2.862 -0.426 -8.649 1.00 2.27 H new ATOM 0 HE1 TYR A 53 -3.062 -2.252 -4.026 1.00 3.01 H new ATOM 0 HE2 TYR A 53 -4.647 -2.036 -8.021 1.00 2.74 H new ATOM 0 HH TYR A 53 -5.698 -2.505 -5.135 1.00 3.21 H new ATOM 809 N ARG A 54 -0.092 3.719 -8.840 1.00 1.21 N ATOM 810 CA ARG A 54 0.747 4.908 -8.776 1.00 1.01 C ATOM 811 C ARG A 54 0.150 5.855 -7.741 1.00 0.79 C ATOM 812 O ARG A 54 -0.972 6.327 -7.935 1.00 0.96 O ATOM 813 CB ARG A 54 0.760 5.610 -10.144 1.00 1.25 C ATOM 814 CG ARG A 54 1.467 4.755 -11.206 1.00 1.46 C ATOM 815 CD ARG A 54 2.309 5.647 -12.127 1.00 1.57 C ATOM 816 NE ARG A 54 3.022 4.865 -13.152 1.00 2.67 N ATOM 817 CZ ARG A 54 3.918 5.383 -14.010 1.00 3.42 C ATOM 818 NH1 ARG A 54 4.112 6.706 -14.041 1.00 3.21 N ATOM 819 NH2 ARG A 54 4.628 4.588 -14.821 1.00 4.90 N ATOM 0 H ARG A 54 -0.815 3.773 -9.557 1.00 1.21 H new ATOM 0 HA ARG A 54 1.766 4.630 -8.505 1.00 1.01 H new ATOM 0 HB2 ARG A 54 -0.263 5.813 -10.460 1.00 1.25 H new ATOM 0 HB3 ARG A 54 1.263 6.573 -10.056 1.00 1.25 H new ATOM 0 HG2 ARG A 54 2.104 4.014 -10.723 1.00 1.46 H new ATOM 0 HG3 ARG A 54 0.730 4.207 -11.793 1.00 1.46 H new ATOM 0 HD2 ARG A 54 1.663 6.378 -12.613 1.00 1.57 H new ATOM 0 HD3 ARG A 54 3.030 6.206 -11.530 1.00 1.57 H new ATOM 0 HE ARG A 54 2.823 3.867 -13.215 1.00 2.67 H new ATOM 0 HH11 ARG A 54 3.582 7.314 -13.417 1.00 3.21 H new ATOM 0 HH12 ARG A 54 4.790 7.107 -14.689 1.00 3.21 H new ATOM 0 HH21 ARG A 54 4.492 3.578 -14.792 1.00 4.90 H new ATOM 0 HH22 ARG A 54 5.305 4.993 -15.468 1.00 4.90 H new ATOM 833 N GLY A 55 0.872 6.147 -6.655 1.00 0.66 N ATOM 834 CA GLY A 55 0.299 7.001 -5.630 1.00 0.63 C ATOM 835 C GLY A 55 1.301 7.610 -4.666 1.00 0.58 C ATOM 836 O GLY A 55 2.512 7.528 -4.870 1.00 0.64 O ATOM 0 H GLY A 55 1.819 5.815 -6.472 1.00 0.66 H new ATOM 0 HA2 GLY A 55 -0.251 7.807 -6.116 1.00 0.63 H new ATOM 0 HA3 GLY A 55 -0.425 6.421 -5.058 1.00 0.63 H new ATOM 840 N THR A 56 0.757 8.241 -3.625 1.00 0.59 N ATOM 841 CA THR A 56 1.459 8.951 -2.578 1.00 0.71 C ATOM 842 C THR A 56 1.013 8.380 -1.232 1.00 0.61 C ATOM 843 O THR A 56 -0.180 8.327 -0.930 1.00 0.73 O ATOM 844 CB THR A 56 1.161 10.453 -2.687 1.00 0.99 C ATOM 845 OG1 THR A 56 -0.223 10.671 -2.888 1.00 2.22 O ATOM 846 CG2 THR A 56 1.920 11.067 -3.867 1.00 1.46 C ATOM 0 H THR A 56 -0.254 8.266 -3.490 1.00 0.59 H new ATOM 0 HA THR A 56 2.537 8.824 -2.673 1.00 0.71 H new ATOM 0 HB THR A 56 1.480 10.922 -1.756 1.00 0.99 H new ATOM 0 HG1 THR A 56 -0.735 10.127 -2.254 1.00 2.22 H new ATOM 0 HG21 THR A 56 1.697 12.132 -3.929 1.00 1.46 H new ATOM 0 HG22 THR A 56 2.991 10.929 -3.722 1.00 1.46 H new ATOM 0 HG23 THR A 56 1.613 10.578 -4.791 1.00 1.46 H new ATOM 854 N ALA A 57 1.986 7.956 -0.427 1.00 0.61 N ATOM 855 CA ALA A 57 1.818 7.647 0.979 1.00 0.61 C ATOM 856 C ALA A 57 2.270 8.892 1.737 1.00 0.67 C ATOM 857 O ALA A 57 3.350 8.900 2.319 1.00 0.94 O ATOM 858 CB ALA A 57 2.667 6.423 1.325 1.00 0.65 C ATOM 0 H ALA A 57 2.942 7.816 -0.753 1.00 0.61 H new ATOM 0 HA ALA A 57 0.789 7.404 1.242 1.00 0.61 H new ATOM 0 HB1 ALA A 57 2.546 6.183 2.382 1.00 0.65 H new ATOM 0 HB2 ALA A 57 2.345 5.574 0.721 1.00 0.65 H new ATOM 0 HB3 ALA A 57 3.716 6.638 1.119 1.00 0.65 H new ATOM 864 N PHE A 58 1.466 9.952 1.672 1.00 0.59 N ATOM 865 CA PHE A 58 1.837 11.267 2.184 1.00 0.68 C ATOM 866 C PHE A 58 1.654 11.307 3.688 1.00 0.66 C ATOM 867 O PHE A 58 0.686 10.779 4.231 1.00 0.59 O ATOM 868 CB PHE A 58 1.100 12.386 1.449 1.00 0.83 C ATOM 869 CG PHE A 58 -0.383 12.474 1.735 1.00 0.89 C ATOM 870 CD1 PHE A 58 -1.314 11.753 0.964 1.00 2.13 C ATOM 871 CD2 PHE A 58 -0.822 13.229 2.838 1.00 1.66 C ATOM 872 CE1 PHE A 58 -2.678 11.780 1.309 1.00 2.32 C ATOM 873 CE2 PHE A 58 -2.177 13.230 3.199 1.00 1.66 C ATOM 874 CZ PHE A 58 -3.110 12.520 2.425 1.00 1.28 C ATOM 0 H PHE A 58 0.534 9.921 1.260 1.00 0.59 H new ATOM 0 HA PHE A 58 2.894 11.443 1.986 1.00 0.68 H new ATOM 0 HB2 PHE A 58 1.562 13.338 1.712 1.00 0.83 H new ATOM 0 HB3 PHE A 58 1.240 12.249 0.377 1.00 0.83 H new ATOM 0 HD1 PHE A 58 -0.983 11.181 0.110 1.00 2.13 H new ATOM 0 HD2 PHE A 58 -0.113 13.810 3.409 1.00 1.66 H new ATOM 0 HE1 PHE A 58 -3.395 11.232 0.716 1.00 2.32 H new ATOM 0 HE2 PHE A 58 -2.503 13.776 4.072 1.00 1.66 H new ATOM 0 HZ PHE A 58 -4.158 12.542 2.686 1.00 1.28 H new ATOM 884 N GLY A 59 2.608 11.926 4.373 1.00 0.79 N ATOM 885 CA GLY A 59 2.593 11.954 5.821 1.00 0.86 C ATOM 886 C GLY A 59 1.555 12.971 6.285 1.00 1.00 C ATOM 887 O GLY A 59 1.261 13.925 5.569 1.00 1.09 O ATOM 0 H GLY A 59 3.397 12.412 3.946 1.00 0.79 H new ATOM 0 HA2 GLY A 59 2.355 10.966 6.215 1.00 0.86 H new ATOM 0 HA3 GLY A 59 3.579 12.220 6.203 1.00 0.86 H new ATOM 891 N SER A 60 1.051 12.845 7.513 1.00 1.13 N ATOM 892 CA SER A 60 0.389 13.974 8.158 1.00 1.31 C ATOM 893 C SER A 60 1.342 15.177 8.210 1.00 1.26 C ATOM 894 O SER A 60 0.885 16.316 8.221 1.00 1.42 O ATOM 895 CB SER A 60 -0.090 13.588 9.561 1.00 1.53 C ATOM 896 OG SER A 60 -0.894 14.613 10.112 1.00 2.19 O ATOM 0 H SER A 60 1.088 11.991 8.069 1.00 1.13 H new ATOM 0 HA SER A 60 -0.488 14.253 7.574 1.00 1.31 H new ATOM 0 HB2 SER A 60 -0.658 12.659 9.514 1.00 1.53 H new ATOM 0 HB3 SER A 60 0.769 13.405 10.207 1.00 1.53 H new ATOM 0 HG SER A 60 -1.192 14.349 11.007 1.00 2.19 H new ATOM 902 N ASP A 61 2.653 14.910 8.249 1.00 1.15 N ATOM 903 CA ASP A 61 3.705 15.919 8.188 1.00 1.21 C ATOM 904 C ASP A 61 4.079 16.283 6.735 1.00 1.21 C ATOM 905 O ASP A 61 5.005 17.055 6.512 1.00 1.31 O ATOM 906 CB ASP A 61 4.905 15.316 8.935 1.00 1.30 C ATOM 907 CG ASP A 61 6.047 16.298 9.157 1.00 1.52 C ATOM 908 OD1 ASP A 61 5.761 17.385 9.702 1.00 2.50 O ATOM 909 OD2 ASP A 61 7.193 15.904 8.847 1.00 2.19 O ATOM 0 H ASP A 61 3.016 13.960 8.326 1.00 1.15 H new ATOM 0 HA ASP A 61 3.373 16.852 8.643 1.00 1.21 H new ATOM 0 HB2 ASP A 61 4.568 14.940 9.901 1.00 1.30 H new ATOM 0 HB3 ASP A 61 5.278 14.460 8.373 1.00 1.30 H new ATOM 914 N ASP A 62 3.423 15.669 5.736 1.00 1.16 N ATOM 915 CA ASP A 62 4.067 15.162 4.545 1.00 1.07 C ATOM 916 C ASP A 62 5.586 15.125 4.523 1.00 1.16 C ATOM 917 O ASP A 62 6.251 15.793 3.732 1.00 1.43 O ATOM 918 CB ASP A 62 3.421 15.536 3.212 1.00 1.34 C ATOM 919 CG ASP A 62 3.831 14.503 2.162 1.00 1.71 C ATOM 920 OD1 ASP A 62 3.623 14.786 0.965 1.00 2.51 O ATOM 921 OD2 ASP A 62 4.273 13.404 2.580 1.00 2.78 O ATOM 0 H ASP A 62 2.415 15.516 5.748 1.00 1.16 H new ATOM 0 HA ASP A 62 3.824 14.106 4.662 1.00 1.07 H new ATOM 0 HB2 ASP A 62 2.336 15.563 3.312 1.00 1.34 H new ATOM 0 HB3 ASP A 62 3.737 16.533 2.905 1.00 1.34 H new ATOM 926 N ALA A 63 6.096 14.205 5.336 1.00 1.06 N ATOM 927 CA ALA A 63 7.374 13.569 5.100 1.00 1.11 C ATOM 928 C ALA A 63 7.075 12.115 4.736 1.00 0.93 C ATOM 929 O ALA A 63 7.598 11.184 5.347 1.00 0.96 O ATOM 930 CB ALA A 63 8.154 13.676 6.404 1.00 1.26 C ATOM 0 H ALA A 63 5.625 13.882 6.181 1.00 1.06 H new ATOM 0 HA ALA A 63 7.956 14.022 4.298 1.00 1.11 H new ATOM 0 HB1 ALA A 63 9.132 13.210 6.282 1.00 1.26 H new ATOM 0 HB2 ALA A 63 8.283 14.726 6.666 1.00 1.26 H new ATOM 0 HB3 ALA A 63 7.606 13.169 7.198 1.00 1.26 H new ATOM 936 N GLY A 64 6.229 11.932 3.725 1.00 0.88 N ATOM 937 CA GLY A 64 5.705 10.649 3.315 1.00 0.79 C ATOM 938 C GLY A 64 6.460 10.042 2.138 1.00 0.69 C ATOM 939 O GLY A 64 7.424 10.603 1.619 1.00 0.95 O ATOM 0 H GLY A 64 5.883 12.704 3.155 1.00 0.88 H new ATOM 0 HA2 GLY A 64 5.746 9.960 4.159 1.00 0.79 H new ATOM 0 HA3 GLY A 64 4.655 10.762 3.046 1.00 0.79 H new ATOM 943 N GLY A 65 6.025 8.842 1.757 1.00 0.76 N ATOM 944 CA GLY A 65 6.550 8.068 0.656 1.00 0.83 C ATOM 945 C GLY A 65 5.694 8.182 -0.599 1.00 0.70 C ATOM 946 O GLY A 65 4.624 8.790 -0.597 1.00 0.89 O ATOM 0 H GLY A 65 5.260 8.369 2.237 1.00 0.76 H new ATOM 0 HA2 GLY A 65 7.563 8.402 0.432 1.00 0.83 H new ATOM 0 HA3 GLY A 65 6.617 7.021 0.952 1.00 0.83 H new ATOM 950 N LYS A 66 6.157 7.552 -1.676 1.00 0.70 N ATOM 951 CA LYS A 66 5.352 7.289 -2.857 1.00 0.73 C ATOM 952 C LYS A 66 4.744 5.892 -2.681 1.00 0.87 C ATOM 953 O LYS A 66 5.123 5.170 -1.761 1.00 1.53 O ATOM 954 CB LYS A 66 6.249 7.343 -4.100 1.00 0.88 C ATOM 955 CG LYS A 66 7.119 8.612 -4.175 1.00 1.07 C ATOM 956 CD LYS A 66 8.238 8.392 -5.215 1.00 1.52 C ATOM 957 CE LYS A 66 9.508 9.217 -4.941 1.00 2.20 C ATOM 958 NZ LYS A 66 9.447 10.567 -5.538 1.00 4.22 N ATOM 0 H LYS A 66 7.114 7.207 -1.750 1.00 0.70 H new ATOM 0 HA LYS A 66 4.561 8.029 -2.982 1.00 0.73 H new ATOM 0 HB2 LYS A 66 6.897 6.467 -4.109 1.00 0.88 H new ATOM 0 HB3 LYS A 66 5.625 7.287 -4.992 1.00 0.88 H new ATOM 0 HG2 LYS A 66 6.509 9.471 -4.454 1.00 1.07 H new ATOM 0 HG3 LYS A 66 7.550 8.831 -3.198 1.00 1.07 H new ATOM 0 HD2 LYS A 66 8.500 7.334 -5.235 1.00 1.52 H new ATOM 0 HD3 LYS A 66 7.857 8.645 -6.204 1.00 1.52 H new ATOM 0 HE2 LYS A 66 9.654 9.306 -3.864 1.00 2.20 H new ATOM 0 HE3 LYS A 66 10.374 8.687 -5.338 1.00 2.20 H new ATOM 0 HZ1 LYS A 66 10.326 11.081 -5.325 1.00 4.22 H new ATOM 0 HZ2 LYS A 66 9.335 10.486 -6.569 1.00 4.22 H new ATOM 0 HZ3 LYS A 66 8.637 11.086 -5.141 1.00 4.22 H new ATOM 972 N LEU A 67 3.837 5.494 -3.574 1.00 0.54 N ATOM 973 CA LEU A 67 3.404 4.112 -3.715 1.00 0.54 C ATOM 974 C LEU A 67 3.819 3.646 -5.106 1.00 0.55 C ATOM 975 O LEU A 67 3.477 4.287 -6.102 1.00 0.88 O ATOM 976 CB LEU A 67 1.890 3.991 -3.519 1.00 0.62 C ATOM 977 CG LEU A 67 1.401 2.534 -3.622 1.00 0.72 C ATOM 978 CD1 LEU A 67 1.775 1.698 -2.390 1.00 0.85 C ATOM 979 CD2 LEU A 67 -0.121 2.549 -3.777 1.00 0.79 C ATOM 0 H LEU A 67 3.380 6.133 -4.225 1.00 0.54 H new ATOM 0 HA LEU A 67 3.868 3.486 -2.953 1.00 0.54 H new ATOM 0 HB2 LEU A 67 1.619 4.395 -2.543 1.00 0.62 H new ATOM 0 HB3 LEU A 67 1.380 4.597 -4.268 1.00 0.62 H new ATOM 0 HG LEU A 67 1.887 2.074 -4.482 1.00 0.72 H new ATOM 0 HD11 LEU A 67 1.406 0.680 -2.515 1.00 0.85 H new ATOM 0 HD12 LEU A 67 2.859 1.680 -2.278 1.00 0.85 H new ATOM 0 HD13 LEU A 67 1.326 2.140 -1.501 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -0.489 1.526 -3.852 1.00 0.79 H new ATOM 0 HD22 LEU A 67 -0.570 3.034 -2.910 1.00 0.79 H new ATOM 0 HD23 LEU A 67 -0.389 3.098 -4.679 1.00 0.79 H new ATOM 991 N THR A 68 4.579 2.550 -5.150 1.00 0.53 N ATOM 992 CA THR A 68 5.095 1.934 -6.355 1.00 0.59 C ATOM 993 C THR A 68 4.160 0.817 -6.791 1.00 0.64 C ATOM 994 O THR A 68 3.742 0.009 -5.962 1.00 0.83 O ATOM 995 CB THR A 68 6.480 1.377 -6.028 1.00 0.91 C ATOM 996 OG1 THR A 68 6.366 0.537 -4.891 1.00 2.35 O ATOM 997 CG2 THR A 68 7.420 2.552 -5.748 1.00 1.90 C ATOM 0 H THR A 68 4.859 2.052 -4.305 1.00 0.53 H new ATOM 0 HA THR A 68 5.165 2.656 -7.169 1.00 0.59 H new ATOM 0 HB THR A 68 6.881 0.796 -6.858 1.00 0.91 H new ATOM 0 HG1 THR A 68 6.798 -0.323 -5.075 1.00 2.35 H new ATOM 0 HG21 THR A 68 8.415 2.174 -5.512 1.00 1.90 H new ATOM 0 HG22 THR A 68 7.474 3.192 -6.628 1.00 1.90 H new ATOM 0 HG23 THR A 68 7.041 3.128 -4.904 1.00 1.90 H new ATOM 1005 N TYR A 69 3.859 0.758 -8.084 1.00 0.59 N ATOM 1006 CA TYR A 69 2.825 -0.114 -8.592 1.00 0.62 C ATOM 1007 C TYR A 69 3.312 -1.556 -8.724 1.00 0.62 C ATOM 1008 O TYR A 69 4.138 -1.870 -9.580 1.00 0.69 O ATOM 1009 CB TYR A 69 2.242 0.462 -9.883 1.00 0.67 C ATOM 1010 CG TYR A 69 3.193 0.681 -11.045 1.00 0.75 C ATOM 1011 CD1 TYR A 69 3.193 -0.214 -12.132 1.00 1.66 C ATOM 1012 CD2 TYR A 69 3.924 1.880 -11.133 1.00 2.11 C ATOM 1013 CE1 TYR A 69 3.806 0.149 -13.344 1.00 1.77 C ATOM 1014 CE2 TYR A 69 4.584 2.215 -12.324 1.00 2.32 C ATOM 1015 CZ TYR A 69 4.470 1.383 -13.447 1.00 1.41 C ATOM 1016 OH TYR A 69 4.845 1.870 -14.665 1.00 2.03 O ATOM 0 H TYR A 69 4.327 1.313 -8.800 1.00 0.59 H new ATOM 0 HA TYR A 69 2.010 -0.159 -7.870 1.00 0.62 H new ATOM 0 HB2 TYR A 69 1.447 -0.204 -10.220 1.00 0.67 H new ATOM 0 HB3 TYR A 69 1.777 1.418 -9.644 1.00 0.67 H new ATOM 0 HD1 TYR A 69 2.721 -1.181 -12.035 1.00 1.66 H new ATOM 0 HD2 TYR A 69 3.977 2.543 -10.282 1.00 2.11 H new ATOM 0 HE1 TYR A 69 3.767 -0.518 -14.193 1.00 1.77 H new ATOM 0 HE2 TYR A 69 5.180 3.114 -12.376 1.00 2.32 H new ATOM 0 HH TYR A 69 4.220 1.554 -15.350 1.00 2.03 H new ATOM 1026 N THR A 70 2.825 -2.443 -7.853 1.00 0.61 N ATOM 1027 CA THR A 70 3.210 -3.847 -7.841 1.00 0.67 C ATOM 1028 C THR A 70 2.101 -4.682 -7.205 1.00 0.70 C ATOM 1029 O THR A 70 2.018 -4.765 -5.982 1.00 0.72 O ATOM 1030 CB THR A 70 4.512 -4.013 -7.047 1.00 0.76 C ATOM 1031 OG1 THR A 70 5.501 -3.112 -7.514 1.00 0.93 O ATOM 1032 CG2 THR A 70 5.059 -5.436 -7.192 1.00 1.07 C ATOM 0 H THR A 70 2.146 -2.200 -7.132 1.00 0.61 H new ATOM 0 HA THR A 70 3.367 -4.189 -8.864 1.00 0.67 H new ATOM 0 HB THR A 70 4.283 -3.807 -6.001 1.00 0.76 H new ATOM 0 HG1 THR A 70 6.324 -3.231 -6.995 1.00 0.93 H new ATOM 0 HG21 THR A 70 5.982 -5.531 -6.621 1.00 1.07 H new ATOM 0 HG22 THR A 70 4.325 -6.148 -6.816 1.00 1.07 H new ATOM 0 HG23 THR A 70 5.260 -5.643 -8.243 1.00 1.07 H new ATOM 1040 N ILE A 71 1.242 -5.301 -8.020 1.00 0.77 N ATOM 1041 CA ILE A 71 0.270 -6.268 -7.534 1.00 0.77 C ATOM 1042 C ILE A 71 0.244 -7.481 -8.469 1.00 0.85 C ATOM 1043 O ILE A 71 0.938 -7.480 -9.485 1.00 1.67 O ATOM 1044 CB ILE A 71 -1.105 -5.602 -7.331 1.00 0.89 C ATOM 1045 CG1 ILE A 71 -2.013 -5.643 -8.568 1.00 1.14 C ATOM 1046 CG2 ILE A 71 -1.017 -4.119 -6.944 1.00 0.99 C ATOM 1047 CD1 ILE A 71 -3.402 -5.109 -8.214 1.00 1.30 C ATOM 0 H ILE A 71 1.205 -5.143 -9.027 1.00 0.77 H new ATOM 0 HA ILE A 71 0.561 -6.637 -6.551 1.00 0.77 H new ATOM 0 HB ILE A 71 -1.527 -6.200 -6.523 1.00 0.89 H new ATOM 0 HG12 ILE A 71 -1.578 -5.045 -9.369 1.00 1.14 H new ATOM 0 HG13 ILE A 71 -2.091 -6.665 -8.939 1.00 1.14 H new ATOM 0 HG21 ILE A 71 -2.022 -3.716 -6.818 1.00 0.99 H new ATOM 0 HG22 ILE A 71 -0.466 -4.019 -6.009 1.00 0.99 H new ATOM 0 HG23 ILE A 71 -0.501 -3.568 -7.730 1.00 0.99 H new ATOM 0 HD11 ILE A 71 -4.040 -5.141 -9.097 1.00 1.30 H new ATOM 0 HD12 ILE A 71 -3.839 -5.725 -7.428 1.00 1.30 H new ATOM 0 HD13 ILE A 71 -3.318 -4.080 -7.865 1.00 1.30 H new ATOM 1059 N ASP A 72 -0.553 -8.496 -8.131 1.00 0.72 N ATOM 1060 CA ASP A 72 -1.049 -9.504 -9.063 1.00 0.84 C ATOM 1061 C ASP A 72 -2.579 -9.358 -9.145 1.00 1.05 C ATOM 1062 O ASP A 72 -3.167 -8.640 -8.339 1.00 2.00 O ATOM 1063 CB ASP A 72 -0.666 -10.900 -8.572 1.00 1.26 C ATOM 1064 CG ASP A 72 -1.526 -11.267 -7.381 1.00 3.38 C ATOM 1065 OD1 ASP A 72 -2.588 -11.878 -7.609 1.00 4.66 O ATOM 1066 OD2 ASP A 72 -1.214 -10.827 -6.256 1.00 4.44 O ATOM 0 H ASP A 72 -0.879 -8.641 -7.175 1.00 0.72 H new ATOM 0 HA ASP A 72 -0.609 -9.365 -10.051 1.00 0.84 H new ATOM 0 HB2 ASP A 72 -0.802 -11.629 -9.371 1.00 1.26 H new ATOM 0 HB3 ASP A 72 0.388 -10.924 -8.295 1.00 1.26 H new ATOM 1071 N PHE A 73 -3.244 -10.061 -10.060 1.00 1.08 N ATOM 1072 CA PHE A 73 -4.705 -10.076 -10.128 1.00 1.10 C ATOM 1073 C PHE A 73 -5.280 -11.486 -9.937 1.00 1.32 C ATOM 1074 O PHE A 73 -6.442 -11.713 -10.260 1.00 1.99 O ATOM 1075 CB PHE A 73 -5.183 -9.450 -11.443 1.00 0.98 C ATOM 1076 CG PHE A 73 -4.785 -8.014 -11.720 1.00 0.93 C ATOM 1077 CD1 PHE A 73 -5.296 -6.994 -10.906 1.00 2.10 C ATOM 1078 CD2 PHE A 73 -4.116 -7.677 -12.911 1.00 1.97 C ATOM 1079 CE1 PHE A 73 -5.176 -5.650 -11.297 1.00 2.35 C ATOM 1080 CE2 PHE A 73 -3.969 -6.334 -13.289 1.00 1.96 C ATOM 1081 CZ PHE A 73 -4.533 -5.319 -12.501 1.00 1.39 C ATOM 0 H PHE A 73 -2.789 -10.633 -10.771 1.00 1.08 H new ATOM 0 HA PHE A 73 -5.081 -9.474 -9.301 1.00 1.10 H new ATOM 0 HB2 PHE A 73 -4.813 -10.066 -12.263 1.00 0.98 H new ATOM 0 HB3 PHE A 73 -6.271 -9.508 -11.467 1.00 0.98 H new ATOM 0 HD1 PHE A 73 -5.784 -7.242 -9.975 1.00 2.10 H new ATOM 0 HD2 PHE A 73 -3.713 -8.458 -13.539 1.00 1.97 H new ATOM 0 HE1 PHE A 73 -5.579 -4.869 -10.670 1.00 2.35 H new ATOM 0 HE2 PHE A 73 -3.422 -6.082 -14.186 1.00 1.96 H new ATOM 0 HZ PHE A 73 -4.473 -4.289 -12.819 1.00 1.39 H new ATOM 1091 N ALA A 74 -4.495 -12.420 -9.395 1.00 1.16 N ATOM 1092 CA ALA A 74 -4.941 -13.780 -9.096 1.00 1.33 C ATOM 1093 C ALA A 74 -5.359 -13.913 -7.625 1.00 1.26 C ATOM 1094 O ALA A 74 -6.133 -14.797 -7.275 1.00 1.43 O ATOM 1095 CB ALA A 74 -3.809 -14.757 -9.425 1.00 1.49 C ATOM 0 H ALA A 74 -3.520 -12.249 -9.149 1.00 1.16 H new ATOM 0 HA ALA A 74 -5.814 -14.012 -9.706 1.00 1.33 H new ATOM 0 HB1 ALA A 74 -4.131 -15.775 -9.205 1.00 1.49 H new ATOM 0 HB2 ALA A 74 -3.555 -14.677 -10.482 1.00 1.49 H new ATOM 0 HB3 ALA A 74 -2.934 -14.516 -8.822 1.00 1.49 H new ATOM 1101 N ALA A 75 -4.817 -13.049 -6.766 1.00 1.12 N ATOM 1102 CA ALA A 75 -5.013 -13.032 -5.324 1.00 1.03 C ATOM 1103 C ALA A 75 -4.884 -11.594 -4.818 1.00 0.91 C ATOM 1104 O ALA A 75 -5.746 -11.129 -4.080 1.00 1.26 O ATOM 1105 CB ALA A 75 -4.009 -13.976 -4.658 1.00 0.99 C ATOM 0 H ALA A 75 -4.196 -12.303 -7.079 1.00 1.12 H new ATOM 0 HA ALA A 75 -6.011 -13.387 -5.067 1.00 1.03 H new ATOM 0 HB1 ALA A 75 -4.157 -13.962 -3.578 1.00 0.99 H new ATOM 0 HB2 ALA A 75 -4.159 -14.989 -5.032 1.00 0.99 H new ATOM 0 HB3 ALA A 75 -2.995 -13.650 -4.889 1.00 0.99 H new ATOM 1111 N LYS A 76 -3.845 -10.871 -5.258 1.00 0.90 N ATOM 1112 CA LYS A 76 -3.661 -9.439 -5.130 1.00 0.84 C ATOM 1113 C LYS A 76 -2.768 -8.994 -3.978 1.00 0.82 C ATOM 1114 O LYS A 76 -3.214 -8.435 -2.980 1.00 1.00 O ATOM 1115 CB LYS A 76 -4.956 -8.664 -5.242 1.00 0.86 C ATOM 1116 CG LYS A 76 -4.581 -7.266 -5.725 1.00 1.57 C ATOM 1117 CD LYS A 76 -5.705 -6.288 -5.457 1.00 2.04 C ATOM 1118 CE LYS A 76 -6.584 -5.970 -6.680 1.00 2.82 C ATOM 1119 NZ LYS A 76 -6.998 -7.169 -7.442 1.00 4.01 N ATOM 0 H LYS A 76 -3.064 -11.312 -5.744 1.00 0.90 H new ATOM 0 HA LYS A 76 -3.074 -9.167 -6.008 1.00 0.84 H new ATOM 0 HB2 LYS A 76 -5.638 -9.147 -5.942 1.00 0.86 H new ATOM 0 HB3 LYS A 76 -5.466 -8.619 -4.280 1.00 0.86 H new ATOM 0 HG2 LYS A 76 -3.674 -6.933 -5.220 1.00 1.57 H new ATOM 0 HG3 LYS A 76 -4.361 -7.291 -6.792 1.00 1.57 H new ATOM 0 HD2 LYS A 76 -6.338 -6.690 -4.666 1.00 2.04 H new ATOM 0 HD3 LYS A 76 -5.278 -5.358 -5.082 1.00 2.04 H new ATOM 0 HE2 LYS A 76 -7.474 -5.436 -6.348 1.00 2.82 H new ATOM 0 HE3 LYS A 76 -6.039 -5.299 -7.344 1.00 2.82 H new ATOM 0 HZ1 LYS A 76 -7.069 -6.931 -8.452 1.00 4.01 H new ATOM 0 HZ2 LYS A 76 -6.293 -7.923 -7.313 1.00 4.01 H new ATOM 0 HZ3 LYS A 76 -7.923 -7.497 -7.097 1.00 4.01 H new ATOM 1133 N GLN A 77 -1.468 -9.095 -4.215 1.00 0.78 N ATOM 1134 CA GLN A 77 -0.420 -8.695 -3.283 1.00 0.88 C ATOM 1135 C GLN A 77 -0.189 -7.193 -3.440 1.00 1.00 C ATOM 1136 O GLN A 77 0.888 -6.747 -3.829 1.00 1.80 O ATOM 1137 CB GLN A 77 0.885 -9.493 -3.471 1.00 1.18 C ATOM 1138 CG GLN A 77 0.772 -11.002 -3.736 1.00 1.13 C ATOM 1139 CD GLN A 77 -0.408 -11.669 -3.044 1.00 1.57 C ATOM 1140 OE1 GLN A 77 -0.358 -11.960 -1.854 1.00 2.55 O ATOM 1141 NE2 GLN A 77 -1.469 -11.922 -3.800 1.00 1.59 N ATOM 0 H GLN A 77 -1.100 -9.470 -5.090 1.00 0.78 H new ATOM 0 HA GLN A 77 -0.748 -8.919 -2.268 1.00 0.88 H new ATOM 0 HB2 GLN A 77 1.433 -9.048 -4.301 1.00 1.18 H new ATOM 0 HB3 GLN A 77 1.493 -9.355 -2.577 1.00 1.18 H new ATOM 0 HG2 GLN A 77 0.689 -11.166 -4.810 1.00 1.13 H new ATOM 0 HG3 GLN A 77 1.692 -11.487 -3.410 1.00 1.13 H new ATOM 0 HE21 GLN A 77 -1.466 -11.662 -4.786 1.00 1.59 H new ATOM 0 HE22 GLN A 77 -2.287 -12.376 -3.395 1.00 1.59 H new ATOM 1150 N GLY A 78 -1.246 -6.410 -3.225 1.00 0.92 N ATOM 1151 CA GLY A 78 -1.258 -5.004 -3.588 1.00 1.17 C ATOM 1152 C GLY A 78 -0.393 -4.164 -2.655 1.00 0.95 C ATOM 1153 O GLY A 78 -0.895 -3.664 -1.647 1.00 1.16 O ATOM 0 H GLY A 78 -2.112 -6.736 -2.796 1.00 0.92 H new ATOM 0 HA2 GLY A 78 -0.902 -4.891 -4.612 1.00 1.17 H new ATOM 0 HA3 GLY A 78 -2.282 -4.633 -3.564 1.00 1.17 H new ATOM 1157 N ASN A 79 0.899 -4.008 -2.967 1.00 0.73 N ATOM 1158 CA ASN A 79 1.904 -3.570 -2.020 1.00 0.68 C ATOM 1159 C ASN A 79 2.907 -2.732 -2.793 1.00 0.78 C ATOM 1160 O ASN A 79 3.125 -2.975 -3.977 1.00 1.35 O ATOM 1161 CB ASN A 79 2.546 -4.813 -1.373 1.00 0.82 C ATOM 1162 CG ASN A 79 1.523 -5.591 -0.544 1.00 1.33 C ATOM 1163 OD1 ASN A 79 1.252 -6.768 -0.762 1.00 2.71 O ATOM 1164 ND2 ASN A 79 0.881 -4.900 0.386 1.00 0.90 N ATOM 0 H ASN A 79 1.270 -4.188 -3.900 1.00 0.73 H new ATOM 0 HA ASN A 79 1.488 -2.966 -1.214 1.00 0.68 H new ATOM 0 HB2 ASN A 79 2.958 -5.459 -2.148 1.00 0.82 H new ATOM 0 HB3 ASN A 79 3.378 -4.508 -0.738 1.00 0.82 H new ATOM 0 HD21 ASN A 79 0.147 -5.345 0.936 1.00 0.90 H new ATOM 0 HD22 ASN A 79 1.121 -3.923 0.552 1.00 0.90 H new ATOM 1171 N GLY A 80 3.479 -1.714 -2.156 1.00 0.60 N ATOM 1172 CA GLY A 80 4.411 -0.818 -2.805 1.00 0.65 C ATOM 1173 C GLY A 80 5.307 -0.215 -1.738 1.00 0.69 C ATOM 1174 O GLY A 80 4.871 -0.008 -0.611 1.00 0.92 O ATOM 0 H GLY A 80 3.305 -1.493 -1.176 1.00 0.60 H new ATOM 0 HA2 GLY A 80 5.006 -1.357 -3.542 1.00 0.65 H new ATOM 0 HA3 GLY A 80 3.875 -0.034 -3.340 1.00 0.65 H new ATOM 1178 N LYS A 81 6.564 0.009 -2.104 1.00 0.67 N ATOM 1179 CA LYS A 81 7.652 0.331 -1.180 1.00 0.65 C ATOM 1180 C LYS A 81 7.897 1.851 -1.101 1.00 0.72 C ATOM 1181 O LYS A 81 7.747 2.558 -2.096 1.00 0.83 O ATOM 1182 CB LYS A 81 8.899 -0.527 -1.482 1.00 0.75 C ATOM 1183 CG LYS A 81 9.330 -0.705 -2.957 1.00 1.10 C ATOM 1184 CD LYS A 81 10.099 -2.028 -3.192 1.00 1.82 C ATOM 1185 CE LYS A 81 11.621 -1.973 -2.981 1.00 2.59 C ATOM 1186 NZ LYS A 81 11.976 -1.316 -1.715 1.00 3.60 N ATOM 0 H LYS A 81 6.866 -0.029 -3.078 1.00 0.67 H new ATOM 0 HA LYS A 81 7.360 0.057 -0.166 1.00 0.65 H new ATOM 0 HB2 LYS A 81 9.740 -0.093 -0.941 1.00 0.75 H new ATOM 0 HB3 LYS A 81 8.729 -1.519 -1.064 1.00 0.75 H new ATOM 0 HG2 LYS A 81 8.447 -0.683 -3.596 1.00 1.10 H new ATOM 0 HG3 LYS A 81 9.959 0.135 -3.253 1.00 1.10 H new ATOM 0 HD2 LYS A 81 9.688 -2.787 -2.526 1.00 1.82 H new ATOM 0 HD3 LYS A 81 9.906 -2.360 -4.212 1.00 1.82 H new ATOM 0 HE2 LYS A 81 12.026 -2.985 -2.991 1.00 2.59 H new ATOM 0 HE3 LYS A 81 12.083 -1.437 -3.810 1.00 2.59 H new ATOM 0 HZ1 LYS A 81 13.011 -1.239 -1.642 1.00 3.60 H new ATOM 0 HZ2 LYS A 81 11.555 -0.366 -1.687 1.00 3.60 H new ATOM 0 HZ3 LYS A 81 11.614 -1.878 -0.919 1.00 3.60 H new ATOM 1200 N ILE A 82 8.221 2.353 0.100 1.00 0.79 N ATOM 1201 CA ILE A 82 8.281 3.772 0.460 1.00 0.91 C ATOM 1202 C ILE A 82 9.749 4.138 0.693 1.00 1.00 C ATOM 1203 O ILE A 82 10.302 3.919 1.766 1.00 1.27 O ATOM 1204 CB ILE A 82 7.392 4.024 1.696 1.00 0.98 C ATOM 1205 CG1 ILE A 82 5.909 4.005 1.279 1.00 1.34 C ATOM 1206 CG2 ILE A 82 7.779 5.320 2.434 1.00 1.60 C ATOM 1207 CD1 ILE A 82 4.961 3.808 2.467 1.00 1.84 C ATOM 0 H ILE A 82 8.460 1.747 0.885 1.00 0.79 H new ATOM 0 HA ILE A 82 7.896 4.409 -0.336 1.00 0.91 H new ATOM 0 HB ILE A 82 7.556 3.219 2.413 1.00 0.98 H new ATOM 0 HG12 ILE A 82 5.665 4.941 0.777 1.00 1.34 H new ATOM 0 HG13 ILE A 82 5.750 3.205 0.556 1.00 1.34 H new ATOM 0 HG21 ILE A 82 7.127 5.456 3.297 1.00 1.60 H new ATOM 0 HG22 ILE A 82 8.814 5.253 2.769 1.00 1.60 H new ATOM 0 HG23 ILE A 82 7.670 6.169 1.759 1.00 1.60 H new ATOM 0 HD11 ILE A 82 3.930 3.803 2.113 1.00 1.84 H new ATOM 0 HD12 ILE A 82 5.182 2.859 2.955 1.00 1.84 H new ATOM 0 HD13 ILE A 82 5.096 4.622 3.179 1.00 1.84 H new ATOM 1219 N GLU A 83 10.400 4.667 -0.342 1.00 1.03 N ATOM 1220 CA GLU A 83 11.820 4.449 -0.554 1.00 1.00 C ATOM 1221 C GLU A 83 12.467 5.666 -1.211 1.00 1.38 C ATOM 1222 O GLU A 83 13.025 5.606 -2.305 1.00 2.25 O ATOM 1223 CB GLU A 83 11.861 3.201 -1.431 1.00 1.15 C ATOM 1224 CG GLU A 83 13.250 2.778 -1.885 1.00 1.25 C ATOM 1225 CD GLU A 83 13.184 1.293 -2.190 1.00 2.04 C ATOM 1226 OE1 GLU A 83 12.238 0.938 -2.925 1.00 2.89 O ATOM 1227 OE2 GLU A 83 13.896 0.473 -1.571 1.00 2.70 O ATOM 0 H GLU A 83 9.957 5.254 -1.049 1.00 1.03 H new ATOM 0 HA GLU A 83 12.386 4.310 0.367 1.00 1.00 H new ATOM 0 HB2 GLU A 83 11.407 2.375 -0.883 1.00 1.15 H new ATOM 0 HB3 GLU A 83 11.244 3.375 -2.313 1.00 1.15 H new ATOM 0 HG2 GLU A 83 13.555 3.340 -2.768 1.00 1.25 H new ATOM 0 HG3 GLU A 83 13.988 2.980 -1.108 1.00 1.25 H new ATOM 1234 N HIS A 84 12.316 6.823 -0.571 1.00 0.99 N ATOM 1235 CA HIS A 84 12.704 8.086 -1.191 1.00 0.81 C ATOM 1236 C HIS A 84 12.932 9.138 -0.102 1.00 0.86 C ATOM 1237 O HIS A 84 12.563 10.299 -0.252 1.00 1.42 O ATOM 1238 CB HIS A 84 11.674 8.486 -2.275 1.00 1.16 C ATOM 1239 CG HIS A 84 10.577 7.472 -2.538 1.00 2.49 C ATOM 1240 ND1 HIS A 84 10.627 6.406 -3.409 1.00 4.43 N ATOM 1241 CD2 HIS A 84 9.405 7.377 -1.844 1.00 2.94 C ATOM 1242 CE1 HIS A 84 9.504 5.685 -3.238 1.00 5.79 C ATOM 1243 NE2 HIS A 84 8.737 6.232 -2.278 1.00 4.95 N ATOM 0 H HIS A 84 11.931 6.912 0.369 1.00 0.99 H new ATOM 0 HA HIS A 84 13.653 7.989 -1.719 1.00 0.81 H new ATOM 0 HB2 HIS A 84 11.211 9.428 -1.982 1.00 1.16 H new ATOM 0 HB3 HIS A 84 12.207 8.669 -3.208 1.00 1.16 H new ATOM 0 HD1 HIS A 84 11.380 6.200 -4.066 1.00 4.43 H new ATOM 0 HD2 HIS A 84 9.056 8.068 -1.091 1.00 2.94 H new ATOM 0 HE1 HIS A 84 9.254 4.793 -3.793 1.00 5.79 H new ATOM 1251 N LEU A 85 13.490 8.697 1.028 1.00 0.77 N ATOM 1252 CA LEU A 85 13.517 9.456 2.269 1.00 0.87 C ATOM 1253 C LEU A 85 14.929 9.901 2.617 1.00 1.01 C ATOM 1254 O LEU A 85 15.911 9.454 2.031 1.00 1.24 O ATOM 1255 CB LEU A 85 12.872 8.619 3.384 1.00 0.92 C ATOM 1256 CG LEU A 85 11.353 8.750 3.292 1.00 0.99 C ATOM 1257 CD1 LEU A 85 10.582 7.475 3.643 1.00 1.62 C ATOM 1258 CD2 LEU A 85 10.837 9.927 4.124 1.00 1.40 C ATOM 0 H LEU A 85 13.942 7.786 1.102 1.00 0.77 H new ATOM 0 HA LEU A 85 12.937 10.371 2.149 1.00 0.87 H new ATOM 0 HB2 LEU A 85 13.166 7.574 3.287 1.00 0.92 H new ATOM 0 HB3 LEU A 85 13.220 8.959 4.359 1.00 0.92 H new ATOM 0 HG LEU A 85 11.158 8.940 2.237 1.00 0.99 H new ATOM 0 HD11 LEU A 85 9.512 7.660 3.551 1.00 1.62 H new ATOM 0 HD12 LEU A 85 10.872 6.675 2.962 1.00 1.62 H new ATOM 0 HD13 LEU A 85 10.812 7.181 4.667 1.00 1.62 H new ATOM 0 HD21 LEU A 85 9.752 9.989 4.034 1.00 1.40 H new ATOM 0 HD22 LEU A 85 11.106 9.779 5.170 1.00 1.40 H new ATOM 0 HD23 LEU A 85 11.284 10.853 3.762 1.00 1.40 H new ATOM 1270 N LYS A 86 15.003 10.810 3.591 1.00 1.29 N ATOM 1271 CA LYS A 86 16.205 11.521 3.960 1.00 1.48 C ATOM 1272 C LYS A 86 17.202 10.625 4.699 1.00 1.28 C ATOM 1273 O LYS A 86 18.335 11.035 4.944 1.00 1.61 O ATOM 1274 CB LYS A 86 15.815 12.787 4.734 1.00 1.88 C ATOM 1275 CG LYS A 86 14.844 12.595 5.913 1.00 1.96 C ATOM 1276 CD LYS A 86 15.423 11.705 7.015 1.00 2.68 C ATOM 1277 CE LYS A 86 15.113 12.166 8.449 1.00 3.54 C ATOM 1278 NZ LYS A 86 13.744 11.835 8.894 1.00 3.97 N ATOM 0 H LYS A 86 14.196 11.072 4.157 1.00 1.29 H new ATOM 0 HA LYS A 86 16.739 11.831 3.062 1.00 1.48 H new ATOM 0 HB2 LYS A 86 16.726 13.250 5.113 1.00 1.88 H new ATOM 0 HB3 LYS A 86 15.367 13.492 4.033 1.00 1.88 H new ATOM 0 HG2 LYS A 86 14.592 13.569 6.333 1.00 1.96 H new ATOM 0 HG3 LYS A 86 13.916 12.156 5.547 1.00 1.96 H new ATOM 0 HD2 LYS A 86 15.040 10.693 6.883 1.00 2.68 H new ATOM 0 HD3 LYS A 86 16.505 11.655 6.891 1.00 2.68 H new ATOM 0 HE2 LYS A 86 15.829 11.708 9.132 1.00 3.54 H new ATOM 0 HE3 LYS A 86 15.256 13.245 8.514 1.00 3.54 H new ATOM 0 HZ1 LYS A 86 13.306 12.675 9.323 1.00 3.97 H new ATOM 0 HZ2 LYS A 86 13.178 11.528 8.077 1.00 3.97 H new ATOM 0 HZ3 LYS A 86 13.783 11.068 9.596 1.00 3.97 H new ATOM 1292 N SER A 87 16.775 9.421 5.093 1.00 1.01 N ATOM 1293 CA SER A 87 17.666 8.438 5.708 1.00 1.10 C ATOM 1294 C SER A 87 17.376 7.027 5.175 1.00 1.02 C ATOM 1295 O SER A 87 16.219 6.709 4.904 1.00 0.95 O ATOM 1296 CB SER A 87 17.576 8.538 7.236 1.00 1.54 C ATOM 1297 OG SER A 87 17.714 9.892 7.626 1.00 1.56 O ATOM 0 H SER A 87 15.810 9.104 4.995 1.00 1.01 H new ATOM 0 HA SER A 87 18.698 8.656 5.433 1.00 1.10 H new ATOM 0 HB2 SER A 87 16.621 8.144 7.582 1.00 1.54 H new ATOM 0 HB3 SER A 87 18.356 7.933 7.698 1.00 1.54 H new ATOM 0 HG SER A 87 17.655 9.959 8.602 1.00 1.56 H new ATOM 1303 N PRO A 88 18.403 6.183 4.977 1.00 1.15 N ATOM 1304 CA PRO A 88 18.258 4.883 4.335 1.00 1.22 C ATOM 1305 C PRO A 88 17.361 3.944 5.143 1.00 1.38 C ATOM 1306 O PRO A 88 16.589 3.174 4.573 1.00 1.75 O ATOM 1307 CB PRO A 88 19.678 4.331 4.186 1.00 1.51 C ATOM 1308 CG PRO A 88 20.458 5.045 5.290 1.00 1.58 C ATOM 1309 CD PRO A 88 19.791 6.416 5.345 1.00 1.35 C ATOM 0 HA PRO A 88 17.768 4.975 3.366 1.00 1.22 H new ATOM 0 HB2 PRO A 88 19.703 3.249 4.313 1.00 1.51 H new ATOM 0 HB3 PRO A 88 20.090 4.546 3.200 1.00 1.51 H new ATOM 0 HG2 PRO A 88 20.382 4.520 6.242 1.00 1.58 H new ATOM 0 HG3 PRO A 88 21.519 5.121 5.051 1.00 1.58 H new ATOM 0 HD2 PRO A 88 19.866 6.850 6.342 1.00 1.35 H new ATOM 0 HD3 PRO A 88 20.269 7.114 4.657 1.00 1.35 H new ATOM 1317 N GLU A 89 17.428 4.006 6.473 1.00 1.34 N ATOM 1318 CA GLU A 89 16.594 3.184 7.328 1.00 1.54 C ATOM 1319 C GLU A 89 15.115 3.571 7.191 1.00 1.42 C ATOM 1320 O GLU A 89 14.231 2.771 7.492 1.00 1.71 O ATOM 1321 CB GLU A 89 17.111 3.207 8.774 1.00 1.91 C ATOM 1322 CG GLU A 89 16.824 4.500 9.545 1.00 1.84 C ATOM 1323 CD GLU A 89 17.608 5.736 9.152 1.00 2.22 C ATOM 1324 OE1 GLU A 89 17.263 6.779 9.743 1.00 2.71 O ATOM 1325 OE2 GLU A 89 18.476 5.645 8.257 1.00 3.20 O ATOM 0 H GLU A 89 18.061 4.626 6.979 1.00 1.34 H new ATOM 0 HA GLU A 89 16.658 2.146 7.001 1.00 1.54 H new ATOM 0 HB2 GLU A 89 16.666 2.372 9.316 1.00 1.91 H new ATOM 0 HB3 GLU A 89 18.188 3.041 8.761 1.00 1.91 H new ATOM 0 HG2 GLU A 89 15.763 4.727 9.439 1.00 1.84 H new ATOM 0 HG3 GLU A 89 17.005 4.309 10.603 1.00 1.84 H new ATOM 1332 N LEU A 90 14.839 4.788 6.708 1.00 1.26 N ATOM 1333 CA LEU A 90 13.488 5.222 6.395 1.00 1.21 C ATOM 1334 C LEU A 90 13.009 4.672 5.053 1.00 1.11 C ATOM 1335 O LEU A 90 11.846 4.876 4.717 1.00 1.17 O ATOM 1336 CB LEU A 90 13.391 6.755 6.432 1.00 1.16 C ATOM 1337 CG LEU A 90 12.785 7.253 7.740 1.00 1.38 C ATOM 1338 CD1 LEU A 90 13.075 8.739 7.903 1.00 2.20 C ATOM 1339 CD2 LEU A 90 11.266 7.034 7.781 1.00 2.51 C ATOM 0 H LEU A 90 15.552 5.494 6.526 1.00 1.26 H new ATOM 0 HA LEU A 90 12.826 4.816 7.160 1.00 1.21 H new ATOM 0 HB2 LEU A 90 14.384 7.185 6.305 1.00 1.16 H new ATOM 0 HB3 LEU A 90 12.784 7.101 5.595 1.00 1.16 H new ATOM 0 HG LEU A 90 13.236 6.684 8.553 1.00 1.38 H new ATOM 0 HD11 LEU A 90 12.641 9.094 8.838 1.00 2.20 H new ATOM 0 HD12 LEU A 90 14.153 8.900 7.919 1.00 2.20 H new ATOM 0 HD13 LEU A 90 12.638 9.289 7.069 1.00 2.20 H new ATOM 0 HD21 LEU A 90 10.871 7.401 8.728 1.00 2.51 H new ATOM 0 HD22 LEU A 90 10.798 7.575 6.958 1.00 2.51 H new ATOM 0 HD23 LEU A 90 11.049 5.970 7.686 1.00 2.51 H new ATOM 1351 N ASN A 91 13.857 3.984 4.275 1.00 1.12 N ATOM 1352 CA ASN A 91 13.402 3.246 3.105 1.00 1.13 C ATOM 1353 C ASN A 91 12.504 2.109 3.592 1.00 0.97 C ATOM 1354 O ASN A 91 12.959 0.990 3.824 1.00 1.19 O ATOM 1355 CB ASN A 91 14.577 2.725 2.259 1.00 1.36 C ATOM 1356 CG ASN A 91 15.532 3.806 1.740 1.00 1.72 C ATOM 1357 OD1 ASN A 91 16.536 3.496 1.109 1.00 2.94 O ATOM 1358 ND2 ASN A 91 15.264 5.085 2.003 1.00 1.16 N ATOM 0 H ASN A 91 14.862 3.928 4.442 1.00 1.12 H new ATOM 0 HA ASN A 91 12.840 3.908 2.447 1.00 1.13 H new ATOM 0 HB2 ASN A 91 15.148 2.014 2.856 1.00 1.36 H new ATOM 0 HB3 ASN A 91 14.176 2.176 1.407 1.00 1.36 H new ATOM 0 HD21 ASN A 91 15.897 5.816 1.678 1.00 1.16 H new ATOM 0 HD22 ASN A 91 14.426 5.333 2.529 1.00 1.16 H new ATOM 1365 N VAL A 92 11.229 2.428 3.799 1.00 0.82 N ATOM 1366 CA VAL A 92 10.223 1.503 4.258 1.00 0.68 C ATOM 1367 C VAL A 92 9.890 0.546 3.129 1.00 0.67 C ATOM 1368 O VAL A 92 9.751 0.959 1.976 1.00 0.94 O ATOM 1369 CB VAL A 92 8.973 2.257 4.749 1.00 0.64 C ATOM 1370 CG1 VAL A 92 7.675 1.436 4.680 1.00 0.85 C ATOM 1371 CG2 VAL A 92 9.158 2.686 6.198 1.00 0.97 C ATOM 0 H VAL A 92 10.867 3.369 3.644 1.00 0.82 H new ATOM 0 HA VAL A 92 10.603 0.933 5.106 1.00 0.68 H new ATOM 0 HB VAL A 92 8.871 3.107 4.075 1.00 0.64 H new ATOM 0 HG11 VAL A 92 6.843 2.039 5.043 1.00 0.85 H new ATOM 0 HG12 VAL A 92 7.486 1.141 3.648 1.00 0.85 H new ATOM 0 HG13 VAL A 92 7.775 0.545 5.300 1.00 0.85 H new ATOM 0 HG21 VAL A 92 8.269 3.218 6.536 1.00 0.97 H new ATOM 0 HG22 VAL A 92 9.313 1.805 6.821 1.00 0.97 H new ATOM 0 HG23 VAL A 92 10.025 3.342 6.275 1.00 0.97 H new ATOM 1381 N ASP A 93 9.691 -0.720 3.483 1.00 0.60 N ATOM 1382 CA ASP A 93 9.095 -1.680 2.580 1.00 0.56 C ATOM 1383 C ASP A 93 7.873 -2.292 3.252 1.00 0.59 C ATOM 1384 O ASP A 93 7.693 -2.158 4.462 1.00 0.67 O ATOM 1385 CB ASP A 93 10.134 -2.722 2.155 1.00 0.54 C ATOM 1386 CG ASP A 93 9.865 -3.155 0.727 1.00 1.03 C ATOM 1387 OD1 ASP A 93 8.704 -3.532 0.464 1.00 2.58 O ATOM 1388 OD2 ASP A 93 10.798 -3.012 -0.097 1.00 1.80 O ATOM 0 H ASP A 93 9.938 -1.100 4.397 1.00 0.60 H new ATOM 0 HA ASP A 93 8.760 -1.194 1.664 1.00 0.56 H new ATOM 0 HB2 ASP A 93 11.137 -2.304 2.236 1.00 0.54 H new ATOM 0 HB3 ASP A 93 10.093 -3.584 2.821 1.00 0.54 H new ATOM 1393 N LEU A 94 7.024 -2.939 2.465 1.00 0.74 N ATOM 1394 CA LEU A 94 5.886 -3.717 2.944 1.00 0.97 C ATOM 1395 C LEU A 94 5.726 -4.989 2.115 1.00 0.80 C ATOM 1396 O LEU A 94 5.810 -4.965 0.889 1.00 0.91 O ATOM 1397 CB LEU A 94 4.580 -2.908 3.013 1.00 1.43 C ATOM 1398 CG LEU A 94 4.421 -1.790 1.973 1.00 1.03 C ATOM 1399 CD1 LEU A 94 2.966 -1.737 1.493 1.00 1.64 C ATOM 1400 CD2 LEU A 94 4.785 -0.431 2.587 1.00 1.72 C ATOM 0 H LEU A 94 7.109 -2.938 1.449 1.00 0.74 H new ATOM 0 HA LEU A 94 6.103 -3.999 3.974 1.00 0.97 H new ATOM 0 HB2 LEU A 94 3.743 -3.598 2.905 1.00 1.43 H new ATOM 0 HB3 LEU A 94 4.503 -2.466 4.006 1.00 1.43 H new ATOM 0 HG LEU A 94 5.087 -2.000 1.136 1.00 1.03 H new ATOM 0 HD11 LEU A 94 2.855 -0.943 0.755 1.00 1.64 H new ATOM 0 HD12 LEU A 94 2.697 -2.692 1.042 1.00 1.64 H new ATOM 0 HD13 LEU A 94 2.310 -1.539 2.341 1.00 1.64 H new ATOM 0 HD21 LEU A 94 4.667 0.351 1.837 1.00 1.72 H new ATOM 0 HD22 LEU A 94 4.127 -0.225 3.432 1.00 1.72 H new ATOM 0 HD23 LEU A 94 5.820 -0.452 2.929 1.00 1.72 H new ATOM 1412 N ALA A 95 5.504 -6.107 2.810 1.00 1.10 N ATOM 1413 CA ALA A 95 5.536 -7.441 2.235 1.00 1.30 C ATOM 1414 C ALA A 95 4.245 -7.759 1.478 1.00 1.12 C ATOM 1415 O ALA A 95 3.294 -6.980 1.480 1.00 1.10 O ATOM 1416 CB ALA A 95 5.786 -8.455 3.358 1.00 1.80 C ATOM 0 H ALA A 95 5.293 -6.103 3.808 1.00 1.10 H new ATOM 0 HA ALA A 95 6.345 -7.497 1.506 1.00 1.30 H new ATOM 0 HB1 ALA A 95 5.812 -9.461 2.940 1.00 1.80 H new ATOM 0 HB2 ALA A 95 6.739 -8.237 3.840 1.00 1.80 H new ATOM 0 HB3 ALA A 95 4.984 -8.388 4.093 1.00 1.80 H new ATOM 1422 N ALA A 96 4.219 -8.936 0.848 1.00 1.11 N ATOM 1423 CA ALA A 96 3.128 -9.391 0.005 1.00 1.08 C ATOM 1424 C ALA A 96 1.964 -9.849 0.888 1.00 0.88 C ATOM 1425 O ALA A 96 2.053 -10.901 1.516 1.00 1.31 O ATOM 1426 CB ALA A 96 3.633 -10.550 -0.861 1.00 1.29 C ATOM 0 H ALA A 96 4.980 -9.612 0.917 1.00 1.11 H new ATOM 0 HA ALA A 96 2.779 -8.584 -0.639 1.00 1.08 H new ATOM 0 HB1 ALA A 96 2.825 -10.905 -1.501 1.00 1.29 H new ATOM 0 HB2 ALA A 96 4.463 -10.207 -1.479 1.00 1.29 H new ATOM 0 HB3 ALA A 96 3.971 -11.364 -0.219 1.00 1.29 H new ATOM 1432 N ALA A 97 0.894 -9.050 0.957 1.00 0.56 N ATOM 1433 CA ALA A 97 -0.270 -9.329 1.791 1.00 0.50 C ATOM 1434 C ALA A 97 -1.423 -9.873 0.947 1.00 0.64 C ATOM 1435 O ALA A 97 -1.843 -9.238 -0.018 1.00 1.06 O ATOM 1436 CB ALA A 97 -0.697 -8.065 2.531 1.00 0.90 C ATOM 0 H ALA A 97 0.815 -8.182 0.427 1.00 0.56 H new ATOM 0 HA ALA A 97 0.001 -10.090 2.523 1.00 0.50 H new ATOM 0 HB1 ALA A 97 -1.567 -8.283 3.151 1.00 0.90 H new ATOM 0 HB2 ALA A 97 0.121 -7.719 3.162 1.00 0.90 H new ATOM 0 HB3 ALA A 97 -0.951 -7.289 1.809 1.00 0.90 H new ATOM 1442 N ASP A 98 -1.941 -11.041 1.327 1.00 0.85 N ATOM 1443 CA ASP A 98 -2.880 -11.839 0.551 1.00 1.30 C ATOM 1444 C ASP A 98 -4.326 -11.614 1.017 1.00 1.70 C ATOM 1445 O ASP A 98 -4.871 -12.314 1.876 1.00 2.90 O ATOM 1446 CB ASP A 98 -2.442 -13.312 0.587 1.00 1.83 C ATOM 1447 CG ASP A 98 -2.469 -13.919 1.980 1.00 2.72 C ATOM 1448 OD1 ASP A 98 -2.187 -13.187 2.954 1.00 3.42 O ATOM 1449 OD2 ASP A 98 -2.899 -15.088 2.094 1.00 3.66 O ATOM 0 H ASP A 98 -1.706 -11.471 2.221 1.00 0.85 H new ATOM 0 HA ASP A 98 -2.866 -11.519 -0.491 1.00 1.30 H new ATOM 0 HB2 ASP A 98 -3.093 -13.892 -0.066 1.00 1.83 H new ATOM 0 HB3 ASP A 98 -1.433 -13.393 0.184 1.00 1.83 H new ATOM 1454 N ILE A 99 -4.966 -10.617 0.410 1.00 1.18 N ATOM 1455 CA ILE A 99 -6.363 -10.268 0.590 1.00 1.19 C ATOM 1456 C ILE A 99 -7.288 -11.415 0.154 1.00 1.26 C ATOM 1457 O ILE A 99 -7.698 -11.488 -0.999 1.00 1.55 O ATOM 1458 CB ILE A 99 -6.654 -8.931 -0.131 1.00 1.17 C ATOM 1459 CG1 ILE A 99 -8.145 -8.758 -0.437 1.00 1.18 C ATOM 1460 CG2 ILE A 99 -5.837 -8.743 -1.417 1.00 1.34 C ATOM 1461 CD1 ILE A 99 -8.538 -7.294 -0.543 1.00 1.34 C ATOM 0 H ILE A 99 -4.495 -10.002 -0.254 1.00 1.18 H new ATOM 0 HA ILE A 99 -6.572 -10.120 1.649 1.00 1.19 H new ATOM 0 HB ILE A 99 -6.343 -8.158 0.571 1.00 1.17 H new ATOM 0 HG12 ILE A 99 -8.385 -9.266 -1.371 1.00 1.18 H new ATOM 0 HG13 ILE A 99 -8.734 -9.236 0.346 1.00 1.18 H new ATOM 0 HG21 ILE A 99 -6.090 -7.785 -1.872 1.00 1.34 H new ATOM 0 HG22 ILE A 99 -4.774 -8.762 -1.178 1.00 1.34 H new ATOM 0 HG23 ILE A 99 -6.067 -9.548 -2.115 1.00 1.34 H new ATOM 0 HD11 ILE A 99 -9.603 -7.218 -0.761 1.00 1.34 H new ATOM 0 HD12 ILE A 99 -8.324 -6.791 0.400 1.00 1.34 H new ATOM 0 HD13 ILE A 99 -7.969 -6.822 -1.344 1.00 1.34 H new ATOM 1473 N LYS A 100 -7.667 -12.275 1.104 1.00 1.54 N ATOM 1474 CA LYS A 100 -8.752 -13.230 0.942 1.00 1.65 C ATOM 1475 C LYS A 100 -10.133 -12.639 1.305 1.00 1.41 C ATOM 1476 O LYS A 100 -11.053 -12.772 0.500 1.00 2.29 O ATOM 1477 CB LYS A 100 -8.435 -14.497 1.743 1.00 2.48 C ATOM 1478 CG LYS A 100 -7.048 -15.067 1.406 1.00 3.96 C ATOM 1479 CD LYS A 100 -6.529 -15.939 2.552 1.00 4.99 C ATOM 1480 CE LYS A 100 -6.079 -15.195 3.825 1.00 5.68 C ATOM 1481 NZ LYS A 100 -4.872 -14.377 3.603 1.00 6.94 N ATOM 0 H LYS A 100 -7.218 -12.323 2.019 1.00 1.54 H new ATOM 0 HA LYS A 100 -8.824 -13.488 -0.115 1.00 1.65 H new ATOM 0 HB2 LYS A 100 -8.484 -14.273 2.809 1.00 2.48 H new ATOM 0 HB3 LYS A 100 -9.195 -15.252 1.541 1.00 2.48 H new ATOM 0 HG2 LYS A 100 -7.104 -15.656 0.491 1.00 3.96 H new ATOM 0 HG3 LYS A 100 -6.350 -14.251 1.218 1.00 3.96 H new ATOM 0 HD2 LYS A 100 -7.313 -16.645 2.827 1.00 4.99 H new ATOM 0 HD3 LYS A 100 -5.687 -16.525 2.182 1.00 4.99 H new ATOM 0 HE2 LYS A 100 -6.889 -14.555 4.173 1.00 5.68 H new ATOM 0 HE3 LYS A 100 -5.883 -15.919 4.615 1.00 5.68 H new ATOM 0 HZ1 LYS A 100 -4.590 -13.924 4.496 1.00 6.94 H new ATOM 0 HZ2 LYS A 100 -4.099 -14.984 3.264 1.00 6.94 H new ATOM 0 HZ3 LYS A 100 -5.075 -13.645 2.893 1.00 6.94 H new ATOM 1495 N PRO A 101 -10.342 -12.012 2.484 1.00 1.63 N ATOM 1496 CA PRO A 101 -11.679 -11.846 3.059 1.00 2.16 C ATOM 1497 C PRO A 101 -12.446 -10.650 2.473 1.00 1.55 C ATOM 1498 O PRO A 101 -12.879 -9.744 3.196 1.00 2.44 O ATOM 1499 CB PRO A 101 -11.437 -11.711 4.568 1.00 3.72 C ATOM 1500 CG PRO A 101 -10.105 -10.967 4.619 1.00 4.06 C ATOM 1501 CD PRO A 101 -9.337 -11.597 3.457 1.00 2.83 C ATOM 0 HA PRO A 101 -12.322 -12.694 2.823 1.00 2.16 H new ATOM 0 HB2 PRO A 101 -12.234 -11.152 5.059 1.00 3.72 H new ATOM 0 HB3 PRO A 101 -11.379 -12.682 5.059 1.00 3.72 H new ATOM 0 HG2 PRO A 101 -10.234 -9.893 4.487 1.00 4.06 H new ATOM 0 HG3 PRO A 101 -9.594 -11.112 5.571 1.00 4.06 H new ATOM 0 HD2 PRO A 101 -8.641 -10.883 3.017 1.00 2.83 H new ATOM 0 HD3 PRO A 101 -8.748 -12.449 3.796 1.00 2.83 H new ATOM 1509 N ASP A 102 -12.647 -10.641 1.154 1.00 1.80 N ATOM 1510 CA ASP A 102 -13.214 -9.503 0.451 1.00 2.61 C ATOM 1511 C ASP A 102 -14.741 -9.461 0.551 1.00 2.03 C ATOM 1512 O ASP A 102 -15.276 -8.940 1.536 1.00 2.14 O ATOM 1513 CB ASP A 102 -12.630 -9.364 -0.962 1.00 4.10 C ATOM 1514 CG ASP A 102 -12.781 -10.510 -1.958 1.00 5.94 C ATOM 1515 OD1 ASP A 102 -12.053 -10.431 -2.967 1.00 7.14 O ATOM 1516 OD2 ASP A 102 -13.678 -11.366 -1.800 1.00 6.70 O ATOM 0 H ASP A 102 -12.418 -11.428 0.547 1.00 1.80 H new ATOM 0 HA ASP A 102 -12.903 -8.591 0.960 1.00 2.61 H new ATOM 0 HB2 ASP A 102 -13.078 -8.479 -1.414 1.00 4.10 H new ATOM 0 HB3 ASP A 102 -11.564 -9.163 -0.856 1.00 4.10 H new ATOM 1521 N GLY A 103 -15.465 -10.015 -0.420 1.00 2.72 N ATOM 1522 CA GLY A 103 -16.914 -10.092 -0.505 1.00 2.91 C ATOM 1523 C GLY A 103 -17.603 -8.814 -0.050 1.00 2.20 C ATOM 1524 O GLY A 103 -18.381 -8.843 0.907 1.00 3.09 O ATOM 0 H GLY A 103 -15.017 -10.453 -1.225 1.00 2.72 H new ATOM 0 HA2 GLY A 103 -17.202 -10.307 -1.534 1.00 2.91 H new ATOM 0 HA3 GLY A 103 -17.265 -10.925 0.105 1.00 2.91 H new ATOM 1528 N LYS A 104 -17.293 -7.736 -0.775 1.00 1.51 N ATOM 1529 CA LYS A 104 -17.952 -6.432 -0.830 1.00 1.51 C ATOM 1530 C LYS A 104 -17.161 -5.599 -1.841 1.00 1.62 C ATOM 1531 O LYS A 104 -16.454 -4.652 -1.494 1.00 2.60 O ATOM 1532 CB LYS A 104 -18.111 -5.761 0.539 1.00 1.78 C ATOM 1533 CG LYS A 104 -16.803 -5.675 1.336 1.00 3.12 C ATOM 1534 CD LYS A 104 -17.039 -6.273 2.727 1.00 4.10 C ATOM 1535 CE LYS A 104 -15.832 -6.159 3.670 1.00 5.25 C ATOM 1536 NZ LYS A 104 -14.940 -7.338 3.607 1.00 6.52 N ATOM 0 H LYS A 104 -16.490 -7.760 -1.403 1.00 1.51 H new ATOM 0 HA LYS A 104 -18.987 -6.540 -1.154 1.00 1.51 H new ATOM 0 HB2 LYS A 104 -18.507 -4.756 0.398 1.00 1.78 H new ATOM 0 HB3 LYS A 104 -18.847 -6.315 1.123 1.00 1.78 H new ATOM 0 HG2 LYS A 104 -16.010 -6.217 0.821 1.00 3.12 H new ATOM 0 HG3 LYS A 104 -16.478 -4.638 1.420 1.00 3.12 H new ATOM 0 HD2 LYS A 104 -17.893 -5.774 3.185 1.00 4.10 H new ATOM 0 HD3 LYS A 104 -17.304 -7.325 2.619 1.00 4.10 H new ATOM 0 HE2 LYS A 104 -15.263 -5.265 3.417 1.00 5.25 H new ATOM 0 HE3 LYS A 104 -16.187 -6.032 4.693 1.00 5.25 H new ATOM 0 HZ1 LYS A 104 -13.984 -7.067 3.915 1.00 6.52 H new ATOM 0 HZ2 LYS A 104 -15.306 -8.084 4.232 1.00 6.52 H new ATOM 0 HZ3 LYS A 104 -14.902 -7.692 2.630 1.00 6.52 H new ATOM 1550 N ARG A 105 -17.203 -6.068 -3.090 1.00 1.54 N ATOM 1551 CA ARG A 105 -16.302 -5.746 -4.192 1.00 1.66 C ATOM 1552 C ARG A 105 -14.839 -6.122 -3.936 1.00 1.68 C ATOM 1553 O ARG A 105 -14.217 -6.746 -4.791 1.00 2.74 O ATOM 1554 CB ARG A 105 -16.456 -4.318 -4.749 1.00 1.90 C ATOM 1555 CG ARG A 105 -17.914 -4.042 -5.144 1.00 2.58 C ATOM 1556 CD ARG A 105 -18.044 -2.804 -6.037 1.00 3.20 C ATOM 1557 NE ARG A 105 -17.413 -3.018 -7.353 1.00 4.49 N ATOM 1558 CZ ARG A 105 -17.526 -2.211 -8.418 1.00 5.46 C ATOM 1559 NH1 ARG A 105 -18.256 -1.094 -8.325 1.00 5.40 N ATOM 1560 NH2 ARG A 105 -16.918 -2.513 -9.567 1.00 7.04 N ATOM 0 H ARG A 105 -17.923 -6.732 -3.376 1.00 1.54 H new ATOM 0 HA ARG A 105 -16.641 -6.404 -4.992 1.00 1.66 H new ATOM 0 HB2 ARG A 105 -16.134 -3.594 -4.001 1.00 1.90 H new ATOM 0 HB3 ARG A 105 -15.809 -4.189 -5.616 1.00 1.90 H new ATOM 0 HG2 ARG A 105 -18.318 -4.909 -5.666 1.00 2.58 H new ATOM 0 HG3 ARG A 105 -18.513 -3.904 -4.244 1.00 2.58 H new ATOM 0 HD2 ARG A 105 -19.098 -2.561 -6.173 1.00 3.20 H new ATOM 0 HD3 ARG A 105 -17.581 -1.949 -5.545 1.00 3.20 H new ATOM 0 HE ARG A 105 -16.840 -3.854 -7.463 1.00 4.49 H new ATOM 0 HH11 ARG A 105 -18.722 -0.861 -7.448 1.00 5.40 H new ATOM 0 HH12 ARG A 105 -18.346 -0.475 -9.131 1.00 5.40 H new ATOM 0 HH21 ARG A 105 -16.361 -3.364 -9.641 1.00 7.04 H new ATOM 0 HH22 ARG A 105 -17.010 -1.892 -10.371 1.00 7.04 H new ATOM 1574 N HIS A 106 -14.280 -5.745 -2.785 1.00 1.44 N ATOM 1575 CA HIS A 106 -12.859 -5.915 -2.531 1.00 1.56 C ATOM 1576 C HIS A 106 -12.507 -5.687 -1.061 1.00 1.64 C ATOM 1577 O HIS A 106 -11.778 -6.473 -0.468 1.00 3.31 O ATOM 1578 CB HIS A 106 -12.097 -4.948 -3.426 1.00 2.05 C ATOM 1579 CG HIS A 106 -10.662 -4.796 -3.025 1.00 3.02 C ATOM 1580 ND1 HIS A 106 -9.646 -5.673 -3.303 1.00 4.17 N ATOM 1581 CD2 HIS A 106 -10.128 -3.713 -2.395 1.00 3.96 C ATOM 1582 CE1 HIS A 106 -8.501 -5.069 -2.945 1.00 5.23 C ATOM 1583 NE2 HIS A 106 -8.741 -3.866 -2.396 1.00 5.07 N ATOM 0 H HIS A 106 -14.796 -5.319 -2.015 1.00 1.44 H new ATOM 0 HA HIS A 106 -12.578 -6.943 -2.758 1.00 1.56 H new ATOM 0 HB2 HIS A 106 -12.146 -5.298 -4.457 1.00 2.05 H new ATOM 0 HB3 HIS A 106 -12.583 -3.973 -3.397 1.00 2.05 H new ATOM 0 HD1 HIS A 106 -9.741 -6.606 -3.705 1.00 4.17 H new ATOM 0 HD2 HIS A 106 -10.678 -2.886 -1.971 1.00 3.96 H new ATOM 0 HE1 HIS A 106 -7.517 -5.494 -3.080 1.00 5.23 H new ATOM 1591 N ALA A 107 -12.995 -4.596 -0.472 1.00 1.08 N ATOM 1592 CA ALA A 107 -12.637 -4.187 0.879 1.00 1.50 C ATOM 1593 C ALA A 107 -11.208 -3.638 0.942 1.00 1.19 C ATOM 1594 O ALA A 107 -10.982 -2.527 0.469 1.00 1.35 O ATOM 1595 CB ALA A 107 -12.923 -5.296 1.899 1.00 2.40 C ATOM 0 H ALA A 107 -13.657 -3.967 -0.927 1.00 1.08 H new ATOM 0 HA ALA A 107 -13.281 -3.355 1.164 1.00 1.50 H new ATOM 0 HB1 ALA A 107 -12.643 -4.955 2.896 1.00 2.40 H new ATOM 0 HB2 ALA A 107 -13.985 -5.539 1.884 1.00 2.40 H new ATOM 0 HB3 ALA A 107 -12.344 -6.183 1.644 1.00 2.40 H new ATOM 1601 N VAL A 108 -10.263 -4.361 1.555 1.00 0.96 N ATOM 1602 CA VAL A 108 -8.969 -3.818 1.945 1.00 0.82 C ATOM 1603 C VAL A 108 -7.926 -4.920 2.105 1.00 0.79 C ATOM 1604 O VAL A 108 -8.172 -5.941 2.742 1.00 1.10 O ATOM 1605 CB VAL A 108 -9.059 -3.048 3.276 1.00 0.87 C ATOM 1606 CG1 VAL A 108 -9.369 -1.568 3.058 1.00 1.06 C ATOM 1607 CG2 VAL A 108 -10.061 -3.679 4.255 1.00 1.02 C ATOM 0 H VAL A 108 -10.382 -5.346 1.793 1.00 0.96 H new ATOM 0 HA VAL A 108 -8.669 -3.140 1.146 1.00 0.82 H new ATOM 0 HB VAL A 108 -8.072 -3.120 3.734 1.00 0.87 H new ATOM 0 HG11 VAL A 108 -9.424 -1.062 4.022 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -8.581 -1.116 2.455 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -10.324 -1.468 2.541 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -10.085 -3.097 5.176 1.00 1.02 H new ATOM 0 HG22 VAL A 108 -11.054 -3.687 3.805 1.00 1.02 H new ATOM 0 HG23 VAL A 108 -9.756 -4.701 4.479 1.00 1.02 H new ATOM 1617 N ILE A 109 -6.743 -4.654 1.563 1.00 0.75 N ATOM 1618 CA ILE A 109 -5.495 -5.333 1.819 1.00 0.78 C ATOM 1619 C ILE A 109 -4.928 -4.789 3.127 1.00 0.90 C ATOM 1620 O ILE A 109 -4.777 -3.575 3.274 1.00 1.37 O ATOM 1621 CB ILE A 109 -4.511 -5.063 0.660 1.00 1.01 C ATOM 1622 CG1 ILE A 109 -5.212 -5.203 -0.700 1.00 2.00 C ATOM 1623 CG2 ILE A 109 -3.300 -5.998 0.783 1.00 1.50 C ATOM 1624 CD1 ILE A 109 -4.264 -5.055 -1.884 1.00 2.75 C ATOM 0 H ILE A 109 -6.632 -3.901 0.884 1.00 0.75 H new ATOM 0 HA ILE A 109 -5.650 -6.409 1.895 1.00 0.78 H new ATOM 0 HB ILE A 109 -4.153 -4.035 0.724 1.00 1.01 H new ATOM 0 HG12 ILE A 109 -5.698 -6.177 -0.752 1.00 2.00 H new ATOM 0 HG13 ILE A 109 -5.997 -4.451 -0.776 1.00 2.00 H new ATOM 0 HG21 ILE A 109 -2.607 -5.806 -0.036 1.00 1.50 H new ATOM 0 HG22 ILE A 109 -2.797 -5.819 1.733 1.00 1.50 H new ATOM 0 HG23 ILE A 109 -3.635 -7.034 0.739 1.00 1.50 H new ATOM 0 HD11 ILE A 109 -4.823 -5.165 -2.813 1.00 2.75 H new ATOM 0 HD12 ILE A 109 -3.797 -4.071 -1.855 1.00 2.75 H new ATOM 0 HD13 ILE A 109 -3.493 -5.824 -1.831 1.00 2.75 H new ATOM 1636 N SER A 110 -4.615 -5.680 4.068 1.00 0.74 N ATOM 1637 CA SER A 110 -4.044 -5.349 5.364 1.00 0.75 C ATOM 1638 C SER A 110 -2.634 -5.935 5.424 1.00 0.68 C ATOM 1639 O SER A 110 -2.512 -7.157 5.523 1.00 1.01 O ATOM 1640 CB SER A 110 -4.938 -5.973 6.440 1.00 0.86 C ATOM 1641 OG SER A 110 -5.153 -7.341 6.138 1.00 2.22 O ATOM 0 H SER A 110 -4.758 -6.682 3.941 1.00 0.74 H new ATOM 0 HA SER A 110 -3.987 -4.272 5.522 1.00 0.75 H new ATOM 0 HB2 SER A 110 -4.470 -5.875 7.419 1.00 0.86 H new ATOM 0 HB3 SER A 110 -5.891 -5.446 6.488 1.00 0.86 H new ATOM 0 HG SER A 110 -4.320 -7.738 5.807 1.00 2.22 H new ATOM 1647 N GLY A 111 -1.591 -5.103 5.350 1.00 0.54 N ATOM 1648 CA GLY A 111 -0.206 -5.563 5.420 1.00 0.54 C ATOM 1649 C GLY A 111 0.569 -4.875 6.544 1.00 0.49 C ATOM 1650 O GLY A 111 0.190 -3.795 6.996 1.00 0.68 O ATOM 0 H GLY A 111 -1.686 -4.093 5.240 1.00 0.54 H new ATOM 0 HA2 GLY A 111 -0.190 -6.642 5.576 1.00 0.54 H new ATOM 0 HA3 GLY A 111 0.289 -5.371 4.468 1.00 0.54 H new ATOM 1654 N SER A 112 1.675 -5.491 6.978 1.00 0.60 N ATOM 1655 CA SER A 112 2.665 -4.830 7.821 1.00 0.52 C ATOM 1656 C SER A 112 3.540 -3.955 6.928 1.00 0.54 C ATOM 1657 O SER A 112 3.644 -4.226 5.731 1.00 0.63 O ATOM 1658 CB SER A 112 3.575 -5.849 8.508 1.00 0.72 C ATOM 1659 OG SER A 112 2.875 -6.704 9.381 1.00 1.41 O ATOM 0 H SER A 112 1.904 -6.459 6.753 1.00 0.60 H new ATOM 0 HA SER A 112 2.143 -4.248 8.581 1.00 0.52 H new ATOM 0 HB2 SER A 112 4.081 -6.447 7.750 1.00 0.72 H new ATOM 0 HB3 SER A 112 4.348 -5.321 9.066 1.00 0.72 H new ATOM 0 HG SER A 112 3.495 -7.075 10.043 1.00 1.41 H new ATOM 1665 N VAL A 113 4.215 -2.959 7.506 1.00 0.60 N ATOM 1666 CA VAL A 113 5.300 -2.262 6.828 1.00 0.55 C ATOM 1667 C VAL A 113 6.474 -2.194 7.792 1.00 0.69 C ATOM 1668 O VAL A 113 6.274 -2.240 9.007 1.00 0.86 O ATOM 1669 CB VAL A 113 4.881 -0.878 6.288 1.00 0.59 C ATOM 1670 CG1 VAL A 113 3.367 -0.758 6.101 1.00 0.67 C ATOM 1671 CG2 VAL A 113 5.297 0.289 7.179 1.00 0.82 C ATOM 0 H VAL A 113 4.024 -2.618 8.448 1.00 0.60 H new ATOM 0 HA VAL A 113 5.591 -2.814 5.934 1.00 0.55 H new ATOM 0 HB VAL A 113 5.405 -0.815 5.334 1.00 0.59 H new ATOM 0 HG11 VAL A 113 3.125 0.234 5.720 1.00 0.67 H new ATOM 0 HG12 VAL A 113 3.027 -1.512 5.392 1.00 0.67 H new ATOM 0 HG13 VAL A 113 2.869 -0.910 7.059 1.00 0.67 H new ATOM 0 HG21 VAL A 113 4.966 1.225 6.730 1.00 0.82 H new ATOM 0 HG22 VAL A 113 4.841 0.177 8.162 1.00 0.82 H new ATOM 0 HG23 VAL A 113 6.382 0.300 7.282 1.00 0.82 H new ATOM 1681 N LEU A 114 7.686 -2.084 7.251 1.00 0.75 N ATOM 1682 CA LEU A 114 8.899 -2.088 8.044 1.00 0.92 C ATOM 1683 C LEU A 114 9.878 -1.018 7.582 1.00 0.71 C ATOM 1684 O LEU A 114 10.127 -0.851 6.389 1.00 0.73 O ATOM 1685 CB LEU A 114 9.506 -3.498 8.087 1.00 1.35 C ATOM 1686 CG LEU A 114 9.956 -4.000 6.706 1.00 1.55 C ATOM 1687 CD1 LEU A 114 11.479 -3.954 6.587 1.00 1.42 C ATOM 1688 CD2 LEU A 114 9.463 -5.430 6.461 1.00 3.05 C ATOM 0 H LEU A 114 7.847 -1.990 6.248 1.00 0.75 H new ATOM 0 HA LEU A 114 8.648 -1.823 9.071 1.00 0.92 H new ATOM 0 HB2 LEU A 114 10.360 -3.499 8.764 1.00 1.35 H new ATOM 0 HB3 LEU A 114 8.772 -4.191 8.498 1.00 1.35 H new ATOM 0 HG LEU A 114 9.521 -3.343 5.953 1.00 1.55 H new ATOM 0 HD11 LEU A 114 11.778 -4.313 5.602 1.00 1.42 H new ATOM 0 HD12 LEU A 114 11.823 -2.928 6.719 1.00 1.42 H new ATOM 0 HD13 LEU A 114 11.923 -4.588 7.355 1.00 1.42 H new ATOM 0 HD21 LEU A 114 9.793 -5.765 5.478 1.00 3.05 H new ATOM 0 HD22 LEU A 114 9.871 -6.091 7.225 1.00 3.05 H new ATOM 0 HD23 LEU A 114 8.374 -5.452 6.505 1.00 3.05 H new ATOM 1700 N TYR A 115 10.429 -0.306 8.566 1.00 0.85 N ATOM 1701 CA TYR A 115 11.390 0.780 8.456 1.00 1.03 C ATOM 1702 C TYR A 115 12.743 0.125 8.207 1.00 1.00 C ATOM 1703 O TYR A 115 13.561 0.007 9.120 1.00 1.16 O ATOM 1704 CB TYR A 115 11.291 1.598 9.759 1.00 1.33 C ATOM 1705 CG TYR A 115 12.279 2.729 10.014 1.00 2.10 C ATOM 1706 CD1 TYR A 115 11.850 4.058 9.835 1.00 3.20 C ATOM 1707 CD2 TYR A 115 13.440 2.486 10.777 1.00 3.05 C ATOM 1708 CE1 TYR A 115 12.571 5.117 10.415 1.00 4.12 C ATOM 1709 CE2 TYR A 115 14.222 3.554 11.247 1.00 4.02 C ATOM 1710 CZ TYR A 115 13.811 4.876 11.022 1.00 4.27 C ATOM 1711 OH TYR A 115 14.614 5.929 11.352 1.00 5.43 O ATOM 0 H TYR A 115 10.191 -0.494 9.540 1.00 0.85 H new ATOM 0 HA TYR A 115 11.214 1.478 7.638 1.00 1.03 H new ATOM 0 HB2 TYR A 115 10.289 2.025 9.801 1.00 1.33 H new ATOM 0 HB3 TYR A 115 11.375 0.898 10.591 1.00 1.33 H new ATOM 0 HD1 TYR A 115 10.965 4.265 9.251 1.00 3.20 H new ATOM 0 HD2 TYR A 115 13.730 1.470 11.002 1.00 3.05 H new ATOM 0 HE1 TYR A 115 12.168 6.119 10.393 1.00 4.12 H new ATOM 0 HE2 TYR A 115 15.140 3.357 11.782 1.00 4.02 H new ATOM 0 HH TYR A 115 15.438 5.595 11.765 1.00 5.43 H new ATOM 1721 N ASN A 116 12.915 -0.378 6.978 1.00 0.94 N ATOM 1722 CA ASN A 116 14.118 -1.007 6.434 1.00 1.08 C ATOM 1723 C ASN A 116 14.439 -2.337 7.131 1.00 0.98 C ATOM 1724 O ASN A 116 14.459 -3.378 6.481 1.00 1.14 O ATOM 1725 CB ASN A 116 15.271 0.001 6.419 1.00 1.46 C ATOM 1726 CG ASN A 116 16.486 -0.479 5.633 1.00 2.23 C ATOM 1727 OD1 ASN A 116 16.966 -1.591 5.831 1.00 3.14 O ATOM 1728 ND2 ASN A 116 17.036 0.371 4.768 1.00 2.69 N ATOM 0 H ASN A 116 12.161 -0.353 6.291 1.00 0.94 H new ATOM 0 HA ASN A 116 13.941 -1.289 5.396 1.00 1.08 H new ATOM 0 HB2 ASN A 116 14.918 0.939 5.990 1.00 1.46 H new ATOM 0 HB3 ASN A 116 15.572 0.213 7.445 1.00 1.46 H new ATOM 0 HD21 ASN A 116 17.875 0.103 4.253 1.00 2.69 H new ATOM 0 HD22 ASN A 116 16.619 1.290 4.620 1.00 2.69 H new ATOM 1735 N GLN A 117 14.624 -2.317 8.453 1.00 0.95 N ATOM 1736 CA GLN A 117 14.573 -3.490 9.316 1.00 1.19 C ATOM 1737 C GLN A 117 13.285 -3.510 10.154 1.00 1.29 C ATOM 1738 O GLN A 117 12.686 -4.565 10.346 1.00 2.06 O ATOM 1739 CB GLN A 117 15.792 -3.533 10.249 1.00 1.57 C ATOM 1740 CG GLN A 117 17.126 -3.232 9.548 1.00 1.87 C ATOM 1741 CD GLN A 117 17.480 -1.746 9.588 1.00 1.81 C ATOM 1742 OE1 GLN A 117 17.523 -1.144 10.657 1.00 2.44 O ATOM 1743 NE2 GLN A 117 17.749 -1.131 8.443 1.00 2.24 N ATOM 0 H GLN A 117 14.819 -1.456 8.964 1.00 0.95 H new ATOM 0 HA GLN A 117 14.584 -4.369 8.671 1.00 1.19 H new ATOM 0 HB2 GLN A 117 15.646 -2.813 11.054 1.00 1.57 H new ATOM 0 HB3 GLN A 117 15.850 -4.519 10.710 1.00 1.57 H new ATOM 0 HG2 GLN A 117 17.921 -3.806 10.024 1.00 1.87 H new ATOM 0 HG3 GLN A 117 17.071 -3.562 8.511 1.00 1.87 H new ATOM 0 HE21 GLN A 117 17.708 -1.648 7.565 1.00 2.24 H new ATOM 0 HE22 GLN A 117 17.997 -0.142 8.441 1.00 2.24 H new ATOM 1752 N ALA A 118 12.893 -2.368 10.735 1.00 0.88 N ATOM 1753 CA ALA A 118 12.026 -2.366 11.913 1.00 1.00 C ATOM 1754 C ALA A 118 10.534 -2.382 11.557 1.00 0.91 C ATOM 1755 O ALA A 118 9.979 -1.359 11.149 1.00 1.23 O ATOM 1756 CB ALA A 118 12.381 -1.178 12.812 1.00 1.23 C ATOM 0 H ALA A 118 13.163 -1.440 10.408 1.00 0.88 H new ATOM 0 HA ALA A 118 12.206 -3.292 12.459 1.00 1.00 H new ATOM 0 HB1 ALA A 118 11.733 -1.179 13.689 1.00 1.23 H new ATOM 0 HB2 ALA A 118 13.421 -1.259 13.129 1.00 1.23 H new ATOM 0 HB3 ALA A 118 12.242 -0.249 12.259 1.00 1.23 H new ATOM 1762 N GLU A 119 9.861 -3.516 11.775 1.00 0.84 N ATOM 1763 CA GLU A 119 8.439 -3.688 11.490 1.00 0.93 C ATOM 1764 C GLU A 119 7.587 -3.036 12.585 1.00 0.93 C ATOM 1765 O GLU A 119 6.878 -3.725 13.313 1.00 1.51 O ATOM 1766 CB GLU A 119 8.128 -5.186 11.312 1.00 1.35 C ATOM 1767 CG GLU A 119 6.750 -5.432 10.670 1.00 1.65 C ATOM 1768 CD GLU A 119 6.369 -6.910 10.653 1.00 2.40 C ATOM 1769 OE1 GLU A 119 7.301 -7.740 10.674 1.00 2.90 O ATOM 1770 OE2 GLU A 119 5.147 -7.179 10.610 1.00 3.27 O ATOM 0 H GLU A 119 10.299 -4.352 12.161 1.00 0.84 H new ATOM 0 HA GLU A 119 8.185 -3.184 10.558 1.00 0.93 H new ATOM 0 HB2 GLU A 119 8.900 -5.643 10.693 1.00 1.35 H new ATOM 0 HB3 GLU A 119 8.166 -5.679 12.283 1.00 1.35 H new ATOM 0 HG2 GLU A 119 5.992 -4.871 11.217 1.00 1.65 H new ATOM 0 HG3 GLU A 119 6.755 -5.049 9.649 1.00 1.65 H new ATOM 1777 N LYS A 120 7.629 -1.700 12.702 1.00 0.63 N ATOM 1778 CA LYS A 120 6.725 -0.935 13.552 1.00 0.89 C ATOM 1779 C LYS A 120 5.890 -0.036 12.671 1.00 0.88 C ATOM 1780 O LYS A 120 5.850 1.186 12.814 1.00 1.21 O ATOM 1781 CB LYS A 120 7.486 -0.188 14.648 1.00 1.34 C ATOM 1782 CG LYS A 120 8.114 -1.167 15.641 1.00 1.86 C ATOM 1783 CD LYS A 120 7.125 -2.182 16.210 1.00 2.06 C ATOM 1784 CE LYS A 120 5.947 -1.572 16.978 1.00 2.90 C ATOM 1785 NZ LYS A 120 5.134 -2.619 17.631 1.00 3.45 N ATOM 0 H LYS A 120 8.302 -1.121 12.200 1.00 0.63 H new ATOM 0 HA LYS A 120 6.051 -1.602 14.089 1.00 0.89 H new ATOM 0 HB2 LYS A 120 8.264 0.430 14.200 1.00 1.34 H new ATOM 0 HB3 LYS A 120 6.808 0.484 15.174 1.00 1.34 H new ATOM 0 HG2 LYS A 120 8.926 -1.701 15.147 1.00 1.86 H new ATOM 0 HG3 LYS A 120 8.556 -0.604 16.463 1.00 1.86 H new ATOM 0 HD2 LYS A 120 6.733 -2.785 15.391 1.00 2.06 H new ATOM 0 HD3 LYS A 120 7.662 -2.858 16.875 1.00 2.06 H new ATOM 0 HE2 LYS A 120 6.321 -0.877 17.730 1.00 2.90 H new ATOM 0 HE3 LYS A 120 5.323 -0.997 16.294 1.00 2.90 H new ATOM 0 HZ1 LYS A 120 4.344 -2.176 18.143 1.00 3.45 H new ATOM 0 HZ2 LYS A 120 4.759 -3.268 16.910 1.00 3.45 H new ATOM 0 HZ3 LYS A 120 5.726 -3.151 18.301 1.00 3.45 H new ATOM 1799 N GLY A 121 5.205 -0.705 11.756 1.00 0.64 N ATOM 1800 CA GLY A 121 4.171 -0.085 10.960 1.00 0.64 C ATOM 1801 C GLY A 121 3.207 -1.090 10.345 1.00 0.52 C ATOM 1802 O GLY A 121 3.504 -2.281 10.244 1.00 0.56 O ATOM 0 H GLY A 121 5.354 -1.692 11.549 1.00 0.64 H new ATOM 0 HA2 GLY A 121 3.611 0.613 11.583 1.00 0.64 H new ATOM 0 HA3 GLY A 121 4.634 0.499 10.165 1.00 0.64 H new ATOM 1806 N SER A 122 2.054 -0.585 9.919 1.00 0.74 N ATOM 1807 CA SER A 122 0.997 -1.320 9.254 1.00 0.71 C ATOM 1808 C SER A 122 0.411 -0.465 8.132 1.00 0.74 C ATOM 1809 O SER A 122 0.661 0.737 8.073 1.00 1.02 O ATOM 1810 CB SER A 122 -0.049 -1.715 10.298 1.00 0.86 C ATOM 1811 OG SER A 122 -0.437 -0.597 11.079 1.00 1.12 O ATOM 0 H SER A 122 1.825 0.402 10.037 1.00 0.74 H new ATOM 0 HA SER A 122 1.378 -2.232 8.795 1.00 0.71 H new ATOM 0 HB2 SER A 122 -0.923 -2.136 9.801 1.00 0.86 H new ATOM 0 HB3 SER A 122 0.355 -2.493 10.946 1.00 0.86 H new ATOM 0 HG SER A 122 -1.107 -0.875 11.738 1.00 1.12 H new ATOM 1817 N TYR A 123 -0.335 -1.081 7.215 1.00 0.62 N ATOM 1818 CA TYR A 123 -0.945 -0.402 6.085 1.00 0.67 C ATOM 1819 C TYR A 123 -2.249 -1.118 5.749 1.00 0.56 C ATOM 1820 O TYR A 123 -2.276 -2.346 5.654 1.00 0.69 O ATOM 1821 CB TYR A 123 0.056 -0.357 4.918 1.00 0.83 C ATOM 1822 CG TYR A 123 -0.446 -0.498 3.487 1.00 0.82 C ATOM 1823 CD1 TYR A 123 -0.309 0.583 2.596 1.00 1.99 C ATOM 1824 CD2 TYR A 123 -0.686 -1.788 2.968 1.00 1.71 C ATOM 1825 CE1 TYR A 123 -0.333 0.364 1.206 1.00 2.30 C ATOM 1826 CE2 TYR A 123 -0.765 -1.996 1.581 1.00 1.99 C ATOM 1827 CZ TYR A 123 -0.548 -0.927 0.698 1.00 1.75 C ATOM 1828 OH TYR A 123 -0.546 -1.131 -0.649 1.00 2.27 O ATOM 0 H TYR A 123 -0.532 -2.081 7.242 1.00 0.62 H new ATOM 0 HA TYR A 123 -1.191 0.635 6.315 1.00 0.67 H new ATOM 0 HB2 TYR A 123 0.590 0.591 4.984 1.00 0.83 H new ATOM 0 HB3 TYR A 123 0.787 -1.147 5.086 1.00 0.83 H new ATOM 0 HD1 TYR A 123 -0.185 1.585 2.981 1.00 1.99 H new ATOM 0 HD2 TYR A 123 -0.810 -2.622 3.643 1.00 1.71 H new ATOM 0 HE1 TYR A 123 -0.186 1.192 0.528 1.00 2.30 H new ATOM 0 HE2 TYR A 123 -0.993 -2.978 1.194 1.00 1.99 H new ATOM 0 HH TYR A 123 -0.676 -2.084 -0.836 1.00 2.27 H new ATOM 1838 N SER A 124 -3.316 -0.335 5.587 1.00 0.54 N ATOM 1839 CA SER A 124 -4.644 -0.792 5.228 1.00 0.68 C ATOM 1840 C SER A 124 -5.003 -0.063 3.943 1.00 0.66 C ATOM 1841 O SER A 124 -5.216 1.147 3.984 1.00 0.80 O ATOM 1842 CB SER A 124 -5.624 -0.453 6.356 1.00 0.88 C ATOM 1843 OG SER A 124 -5.217 -1.091 7.552 1.00 2.11 O ATOM 0 H SER A 124 -3.268 0.677 5.709 1.00 0.54 H new ATOM 0 HA SER A 124 -4.687 -1.871 5.081 1.00 0.68 H new ATOM 0 HB2 SER A 124 -5.663 0.626 6.504 1.00 0.88 H new ATOM 0 HB3 SER A 124 -6.630 -0.775 6.085 1.00 0.88 H new ATOM 0 HG SER A 124 -5.845 -0.870 8.271 1.00 2.11 H new ATOM 1849 N LEU A 125 -5.005 -0.763 2.808 1.00 0.65 N ATOM 1850 CA LEU A 125 -5.146 -0.159 1.487 1.00 0.67 C ATOM 1851 C LEU A 125 -6.162 -0.942 0.681 1.00 0.67 C ATOM 1852 O LEU A 125 -6.134 -2.162 0.712 1.00 0.77 O ATOM 1853 CB LEU A 125 -3.774 -0.170 0.815 1.00 0.73 C ATOM 1854 CG LEU A 125 -3.705 0.259 -0.659 1.00 0.70 C ATOM 1855 CD1 LEU A 125 -4.041 -0.855 -1.659 1.00 0.75 C ATOM 1856 CD2 LEU A 125 -4.431 1.560 -0.983 1.00 0.75 C ATOM 0 H LEU A 125 -4.907 -1.778 2.782 1.00 0.65 H new ATOM 0 HA LEU A 125 -5.501 0.869 1.560 1.00 0.67 H new ATOM 0 HB2 LEU A 125 -3.114 0.482 1.387 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -3.370 -1.179 0.891 1.00 0.73 H new ATOM 0 HG LEU A 125 -2.646 0.477 -0.795 1.00 0.70 H new ATOM 0 HD11 LEU A 125 -3.968 -0.466 -2.675 1.00 0.75 H new ATOM 0 HD12 LEU A 125 -3.339 -1.679 -1.535 1.00 0.75 H new ATOM 0 HD13 LEU A 125 -5.055 -1.212 -1.479 1.00 0.75 H new ATOM 0 HD21 LEU A 125 -4.327 1.780 -2.045 1.00 0.75 H new ATOM 0 HD22 LEU A 125 -5.488 1.458 -0.736 1.00 0.75 H new ATOM 0 HD23 LEU A 125 -3.999 2.373 -0.400 1.00 0.75 H new ATOM 1868 N GLY A 126 -7.035 -0.261 -0.058 1.00 0.61 N ATOM 1869 CA GLY A 126 -8.064 -0.894 -0.869 1.00 0.59 C ATOM 1870 C GLY A 126 -8.140 -0.272 -2.262 1.00 0.68 C ATOM 1871 O GLY A 126 -7.727 0.868 -2.474 1.00 1.16 O ATOM 0 H GLY A 126 -7.045 0.758 -0.109 1.00 0.61 H new ATOM 0 HA2 GLY A 126 -7.855 -1.960 -0.956 1.00 0.59 H new ATOM 0 HA3 GLY A 126 -9.030 -0.798 -0.373 1.00 0.59 H new ATOM 1875 N ILE A 127 -8.695 -1.034 -3.207 1.00 0.64 N ATOM 1876 CA ILE A 127 -8.917 -0.619 -4.588 1.00 0.65 C ATOM 1877 C ILE A 127 -10.131 0.315 -4.635 1.00 0.88 C ATOM 1878 O ILE A 127 -11.000 0.247 -3.766 1.00 1.41 O ATOM 1879 CB ILE A 127 -9.180 -1.874 -5.462 1.00 1.13 C ATOM 1880 CG1 ILE A 127 -8.847 -1.665 -6.948 1.00 1.26 C ATOM 1881 CG2 ILE A 127 -10.642 -2.345 -5.404 1.00 1.91 C ATOM 1882 CD1 ILE A 127 -7.362 -1.886 -7.205 1.00 2.22 C ATOM 0 H ILE A 127 -9.011 -1.986 -3.023 1.00 0.64 H new ATOM 0 HA ILE A 127 -8.041 -0.095 -4.970 1.00 0.65 H new ATOM 0 HB ILE A 127 -8.516 -2.624 -5.032 1.00 1.13 H new ATOM 0 HG12 ILE A 127 -9.433 -2.354 -7.557 1.00 1.26 H new ATOM 0 HG13 ILE A 127 -9.127 -0.656 -7.250 1.00 1.26 H new ATOM 0 HG21 ILE A 127 -10.766 -3.226 -6.034 1.00 1.91 H new ATOM 0 HG22 ILE A 127 -10.903 -2.595 -4.376 1.00 1.91 H new ATOM 0 HG23 ILE A 127 -11.295 -1.549 -5.761 1.00 1.91 H new ATOM 0 HD11 ILE A 127 -7.149 -1.733 -8.263 1.00 2.22 H new ATOM 0 HD12 ILE A 127 -6.781 -1.180 -6.612 1.00 2.22 H new ATOM 0 HD13 ILE A 127 -7.092 -2.904 -6.924 1.00 2.22 H new ATOM 1894 N PHE A 128 -10.245 1.131 -5.685 1.00 0.71 N ATOM 1895 CA PHE A 128 -11.510 1.749 -6.036 1.00 0.86 C ATOM 1896 C PHE A 128 -11.554 2.050 -7.533 1.00 1.25 C ATOM 1897 O PHE A 128 -10.515 2.203 -8.189 1.00 1.62 O ATOM 1898 CB PHE A 128 -11.773 2.996 -5.179 1.00 1.78 C ATOM 1899 CG PHE A 128 -13.074 3.697 -5.511 1.00 2.40 C ATOM 1900 CD1 PHE A 128 -13.065 4.847 -6.321 1.00 3.42 C ATOM 1901 CD2 PHE A 128 -14.298 3.120 -5.125 1.00 3.19 C ATOM 1902 CE1 PHE A 128 -14.276 5.426 -6.735 1.00 4.46 C ATOM 1903 CE2 PHE A 128 -15.510 3.702 -5.539 1.00 4.13 C ATOM 1904 CZ PHE A 128 -15.499 4.853 -6.345 1.00 4.56 C ATOM 0 H PHE A 128 -9.471 1.375 -6.303 1.00 0.71 H new ATOM 0 HA PHE A 128 -12.317 1.049 -5.820 1.00 0.86 H new ATOM 0 HB2 PHE A 128 -11.783 2.708 -4.128 1.00 1.78 H new ATOM 0 HB3 PHE A 128 -10.949 3.697 -5.310 1.00 1.78 H new ATOM 0 HD1 PHE A 128 -12.126 5.285 -6.625 1.00 3.42 H new ATOM 0 HD2 PHE A 128 -14.307 2.231 -4.512 1.00 3.19 H new ATOM 0 HE1 PHE A 128 -14.267 6.312 -7.353 1.00 4.46 H new ATOM 0 HE2 PHE A 128 -16.450 3.264 -5.237 1.00 4.13 H new ATOM 0 HZ PHE A 128 -16.430 5.297 -6.665 1.00 4.56 H new ATOM 1914 N GLY A 129 -12.782 2.083 -8.063 1.00 1.86 N ATOM 1915 CA GLY A 129 -13.093 2.528 -9.414 1.00 2.79 C ATOM 1916 C GLY A 129 -13.749 1.425 -10.237 1.00 1.97 C ATOM 1917 O GLY A 129 -14.417 1.701 -11.229 1.00 2.63 O ATOM 0 H GLY A 129 -13.608 1.790 -7.542 1.00 1.86 H new ATOM 0 HA2 GLY A 129 -13.757 3.391 -9.368 1.00 2.79 H new ATOM 0 HA3 GLY A 129 -12.178 2.855 -9.908 1.00 2.79 H new ATOM 1921 N GLY A 130 -13.539 0.164 -9.849 1.00 1.14 N ATOM 1922 CA GLY A 130 -14.102 -0.981 -10.556 1.00 1.54 C ATOM 1923 C GLY A 130 -13.288 -1.350 -11.797 1.00 1.57 C ATOM 1924 O GLY A 130 -13.713 -2.180 -12.593 1.00 2.33 O ATOM 0 H GLY A 130 -12.975 -0.088 -9.037 1.00 1.14 H new ATOM 0 HA2 GLY A 130 -14.143 -1.837 -9.883 1.00 1.54 H new ATOM 0 HA3 GLY A 130 -15.127 -0.756 -10.850 1.00 1.54 H new ATOM 1928 N LYS A 131 -12.109 -0.740 -11.946 1.00 1.31 N ATOM 1929 CA LYS A 131 -11.059 -1.152 -12.864 1.00 1.32 C ATOM 1930 C LYS A 131 -9.754 -0.472 -12.432 1.00 1.11 C ATOM 1931 O LYS A 131 -9.002 0.037 -13.255 1.00 1.41 O ATOM 1932 CB LYS A 131 -11.450 -0.866 -14.327 1.00 1.61 C ATOM 1933 CG LYS A 131 -12.040 0.535 -14.530 1.00 1.88 C ATOM 1934 CD LYS A 131 -11.932 0.952 -16.002 1.00 2.00 C ATOM 1935 CE LYS A 131 -12.561 2.336 -16.217 1.00 2.71 C ATOM 1936 NZ LYS A 131 -12.238 2.897 -17.545 1.00 3.26 N ATOM 0 H LYS A 131 -11.856 0.087 -11.406 1.00 1.31 H new ATOM 0 HA LYS A 131 -10.911 -2.231 -12.821 1.00 1.32 H new ATOM 0 HB2 LYS A 131 -10.570 -0.978 -14.960 1.00 1.61 H new ATOM 0 HB3 LYS A 131 -12.176 -1.610 -14.655 1.00 1.61 H new ATOM 0 HG2 LYS A 131 -13.084 0.545 -14.218 1.00 1.88 H new ATOM 0 HG3 LYS A 131 -11.513 1.253 -13.902 1.00 1.88 H new ATOM 0 HD2 LYS A 131 -10.885 0.971 -16.305 1.00 2.00 H new ATOM 0 HD3 LYS A 131 -12.433 0.217 -16.632 1.00 2.00 H new ATOM 0 HE2 LYS A 131 -13.643 2.262 -16.110 1.00 2.71 H new ATOM 0 HE3 LYS A 131 -12.210 3.017 -15.442 1.00 2.71 H new ATOM 0 HZ1 LYS A 131 -12.684 3.831 -17.645 1.00 3.26 H new ATOM 0 HZ2 LYS A 131 -11.207 2.993 -17.640 1.00 3.26 H new ATOM 0 HZ3 LYS A 131 -12.596 2.262 -18.287 1.00 3.26 H new ATOM 1950 N ALA A 132 -9.508 -0.432 -11.116 1.00 0.89 N ATOM 1951 CA ALA A 132 -8.275 0.039 -10.503 1.00 0.81 C ATOM 1952 C ALA A 132 -7.948 1.467 -10.939 1.00 0.87 C ATOM 1953 O ALA A 132 -6.981 1.687 -11.664 1.00 1.26 O ATOM 1954 CB ALA A 132 -7.142 -0.942 -10.824 1.00 0.97 C ATOM 0 H ALA A 132 -10.195 -0.741 -10.428 1.00 0.89 H new ATOM 0 HA ALA A 132 -8.400 0.074 -9.421 1.00 0.81 H new ATOM 0 HB1 ALA A 132 -6.217 -0.592 -10.366 1.00 0.97 H new ATOM 0 HB2 ALA A 132 -7.391 -1.927 -10.430 1.00 0.97 H new ATOM 0 HB3 ALA A 132 -7.011 -1.005 -11.904 1.00 0.97 H new ATOM 1960 N GLN A 133 -8.760 2.431 -10.498 1.00 0.69 N ATOM 1961 CA GLN A 133 -8.627 3.820 -10.921 1.00 0.76 C ATOM 1962 C GLN A 133 -7.864 4.628 -9.876 1.00 0.75 C ATOM 1963 O GLN A 133 -6.993 5.421 -10.227 1.00 0.98 O ATOM 1964 CB GLN A 133 -10.010 4.422 -11.191 1.00 0.89 C ATOM 1965 CG GLN A 133 -10.796 3.637 -12.253 1.00 1.11 C ATOM 1966 CD GLN A 133 -10.109 3.659 -13.617 1.00 2.07 C ATOM 1967 OE1 GLN A 133 -10.391 4.521 -14.444 1.00 2.43 O ATOM 1968 NE2 GLN A 133 -9.251 2.684 -13.902 1.00 3.30 N ATOM 0 H GLN A 133 -9.523 2.268 -9.841 1.00 0.69 H new ATOM 0 HA GLN A 133 -8.054 3.855 -11.848 1.00 0.76 H new ATOM 0 HB2 GLN A 133 -10.581 4.443 -10.263 1.00 0.89 H new ATOM 0 HB3 GLN A 133 -9.895 5.455 -11.518 1.00 0.89 H new ATOM 0 HG2 GLN A 133 -10.914 2.604 -11.925 1.00 1.11 H new ATOM 0 HG3 GLN A 133 -11.797 4.058 -12.346 1.00 1.11 H new ATOM 0 HE21 GLN A 133 -9.030 1.977 -13.200 1.00 3.30 H new ATOM 0 HE22 GLN A 133 -8.813 2.643 -14.822 1.00 3.30 H new ATOM 1977 N GLU A 134 -8.200 4.432 -8.599 1.00 0.67 N ATOM 1978 CA GLU A 134 -7.593 5.161 -7.495 1.00 0.80 C ATOM 1979 C GLU A 134 -7.584 4.247 -6.272 1.00 0.81 C ATOM 1980 O GLU A 134 -8.639 4.033 -5.680 1.00 1.53 O ATOM 1981 CB GLU A 134 -8.395 6.451 -7.218 1.00 1.14 C ATOM 1982 CG GLU A 134 -8.580 7.321 -8.473 1.00 1.29 C ATOM 1983 CD GLU A 134 -9.143 8.700 -8.176 1.00 1.84 C ATOM 1984 OE1 GLU A 134 -9.996 8.799 -7.271 1.00 1.94 O ATOM 1985 OE2 GLU A 134 -8.728 9.633 -8.902 1.00 3.01 O ATOM 0 H GLU A 134 -8.906 3.757 -8.305 1.00 0.67 H new ATOM 0 HA GLU A 134 -6.571 5.451 -7.739 1.00 0.80 H new ATOM 0 HB2 GLU A 134 -9.374 6.186 -6.818 1.00 1.14 H new ATOM 0 HB3 GLU A 134 -7.884 7.033 -6.451 1.00 1.14 H new ATOM 0 HG2 GLU A 134 -7.619 7.430 -8.975 1.00 1.29 H new ATOM 0 HG3 GLU A 134 -9.245 6.807 -9.167 1.00 1.29 H new ATOM 1992 N VAL A 135 -6.434 3.693 -5.874 1.00 0.60 N ATOM 1993 CA VAL A 135 -6.380 2.961 -4.612 1.00 0.55 C ATOM 1994 C VAL A 135 -6.335 3.962 -3.449 1.00 0.70 C ATOM 1995 O VAL A 135 -5.771 5.048 -3.584 1.00 1.19 O ATOM 1996 CB VAL A 135 -5.225 1.941 -4.569 1.00 0.56 C ATOM 1997 CG1 VAL A 135 -5.317 0.937 -5.722 1.00 0.77 C ATOM 1998 CG2 VAL A 135 -3.807 2.524 -4.519 1.00 0.78 C ATOM 0 H VAL A 135 -5.556 3.736 -6.391 1.00 0.60 H new ATOM 0 HA VAL A 135 -7.285 2.361 -4.516 1.00 0.55 H new ATOM 0 HB VAL A 135 -5.373 1.446 -3.609 1.00 0.56 H new ATOM 0 HG11 VAL A 135 -4.487 0.234 -5.659 1.00 0.77 H new ATOM 0 HG12 VAL A 135 -6.259 0.393 -5.656 1.00 0.77 H new ATOM 0 HG13 VAL A 135 -5.271 1.469 -6.672 1.00 0.77 H new ATOM 0 HG21 VAL A 135 -3.080 1.712 -4.492 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -3.634 3.136 -5.404 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -3.698 3.139 -3.626 1.00 0.78 H new ATOM 2008 N ALA A 136 -6.963 3.613 -2.324 1.00 0.61 N ATOM 2009 CA ALA A 136 -7.127 4.489 -1.169 1.00 0.71 C ATOM 2010 C ALA A 136 -6.826 3.694 0.098 1.00 0.67 C ATOM 2011 O ALA A 136 -7.275 2.553 0.225 1.00 0.72 O ATOM 2012 CB ALA A 136 -8.555 5.038 -1.145 1.00 0.90 C ATOM 0 H ALA A 136 -7.380 2.692 -2.191 1.00 0.61 H new ATOM 0 HA ALA A 136 -6.438 5.332 -1.229 1.00 0.71 H new ATOM 0 HB1 ALA A 136 -8.679 5.693 -0.282 1.00 0.90 H new ATOM 0 HB2 ALA A 136 -8.743 5.602 -2.059 1.00 0.90 H new ATOM 0 HB3 ALA A 136 -9.262 4.211 -1.077 1.00 0.90 H new ATOM 2018 N GLY A 137 -6.016 4.250 1.003 1.00 0.66 N ATOM 2019 CA GLY A 137 -5.583 3.547 2.196 1.00 0.70 C ATOM 2020 C GLY A 137 -5.132 4.481 3.309 1.00 0.68 C ATOM 2021 O GLY A 137 -5.051 5.700 3.137 1.00 0.72 O ATOM 0 H GLY A 137 -5.647 5.198 0.922 1.00 0.66 H new ATOM 0 HA2 GLY A 137 -6.401 2.925 2.561 1.00 0.70 H new ATOM 0 HA3 GLY A 137 -4.763 2.877 1.938 1.00 0.70 H new ATOM 2025 N SER A 138 -4.763 3.875 4.435 1.00 0.69 N ATOM 2026 CA SER A 138 -4.009 4.518 5.488 1.00 0.68 C ATOM 2027 C SER A 138 -2.781 3.654 5.732 1.00 0.59 C ATOM 2028 O SER A 138 -2.932 2.472 6.050 1.00 0.70 O ATOM 2029 CB SER A 138 -4.873 4.609 6.750 1.00 0.84 C ATOM 2030 OG SER A 138 -5.368 3.326 7.090 1.00 2.61 O ATOM 0 H SER A 138 -4.989 2.901 4.637 1.00 0.69 H new ATOM 0 HA SER A 138 -3.713 5.531 5.216 1.00 0.68 H new ATOM 0 HB2 SER A 138 -4.285 5.012 7.575 1.00 0.84 H new ATOM 0 HB3 SER A 138 -5.703 5.296 6.584 1.00 0.84 H new ATOM 0 HG SER A 138 -4.688 2.649 6.890 1.00 2.61 H new ATOM 2036 N ALA A 139 -1.593 4.237 5.591 1.00 0.80 N ATOM 2037 CA ALA A 139 -0.367 3.657 6.095 1.00 1.06 C ATOM 2038 C ALA A 139 -0.106 4.260 7.471 1.00 1.06 C ATOM 2039 O ALA A 139 -0.484 5.405 7.733 1.00 0.95 O ATOM 2040 CB ALA A 139 0.780 3.937 5.120 1.00 1.40 C ATOM 0 H ALA A 139 -1.461 5.132 5.119 1.00 0.80 H new ATOM 0 HA ALA A 139 -0.448 2.574 6.186 1.00 1.06 H new ATOM 0 HB1 ALA A 139 1.700 3.498 5.505 1.00 1.40 H new ATOM 0 HB2 ALA A 139 0.547 3.499 4.149 1.00 1.40 H new ATOM 0 HB3 ALA A 139 0.910 5.014 5.011 1.00 1.40 H new ATOM 2046 N GLU A 140 0.556 3.502 8.345 1.00 1.31 N ATOM 2047 CA GLU A 140 1.174 4.093 9.517 1.00 1.49 C ATOM 2048 C GLU A 140 2.463 3.396 9.932 1.00 1.25 C ATOM 2049 O GLU A 140 2.529 2.171 9.989 1.00 1.43 O ATOM 2050 CB GLU A 140 0.178 4.244 10.679 1.00 1.76 C ATOM 2051 CG GLU A 140 -0.540 2.965 11.118 1.00 1.81 C ATOM 2052 CD GLU A 140 -1.294 3.218 12.414 1.00 2.08 C ATOM 2053 OE1 GLU A 140 -0.604 3.324 13.454 1.00 2.38 O ATOM 2054 OE2 GLU A 140 -2.531 3.367 12.400 1.00 3.14 O ATOM 0 H GLU A 140 0.674 2.492 8.261 1.00 1.31 H new ATOM 0 HA GLU A 140 1.473 5.101 9.228 1.00 1.49 H new ATOM 0 HB2 GLU A 140 0.712 4.651 11.538 1.00 1.76 H new ATOM 0 HB3 GLU A 140 -0.574 4.979 10.393 1.00 1.76 H new ATOM 0 HG2 GLU A 140 -1.232 2.640 10.341 1.00 1.81 H new ATOM 0 HG3 GLU A 140 0.182 2.161 11.258 1.00 1.81 H new ATOM 2061 N VAL A 141 3.480 4.203 10.255 1.00 1.06 N ATOM 2062 CA VAL A 141 4.743 3.775 10.837 1.00 0.95 C ATOM 2063 C VAL A 141 4.948 4.591 12.105 1.00 0.86 C ATOM 2064 O VAL A 141 4.534 5.739 12.174 1.00 1.09 O ATOM 2065 CB VAL A 141 5.918 3.969 9.862 1.00 1.31 C ATOM 2066 CG1 VAL A 141 5.868 2.930 8.747 1.00 1.46 C ATOM 2067 CG2 VAL A 141 5.956 5.364 9.230 1.00 2.54 C ATOM 0 H VAL A 141 3.437 5.212 10.109 1.00 1.06 H new ATOM 0 HA VAL A 141 4.709 2.709 11.060 1.00 0.95 H new ATOM 0 HB VAL A 141 6.821 3.848 10.460 1.00 1.31 H new ATOM 0 HG11 VAL A 141 6.707 3.084 8.068 1.00 1.46 H new ATOM 0 HG12 VAL A 141 5.929 1.931 9.178 1.00 1.46 H new ATOM 0 HG13 VAL A 141 4.933 3.032 8.197 1.00 1.46 H new ATOM 0 HG21 VAL A 141 6.808 5.434 8.554 1.00 2.54 H new ATOM 0 HG22 VAL A 141 5.035 5.536 8.673 1.00 2.54 H new ATOM 0 HG23 VAL A 141 6.052 6.116 10.013 1.00 2.54 H new ATOM 2077 N LYS A 142 5.561 4.007 13.126 1.00 0.86 N ATOM 2078 CA LYS A 142 5.834 4.703 14.372 1.00 0.92 C ATOM 2079 C LYS A 142 7.247 4.346 14.787 1.00 1.06 C ATOM 2080 O LYS A 142 7.477 3.287 15.369 1.00 1.33 O ATOM 2081 CB LYS A 142 4.795 4.333 15.436 1.00 0.97 C ATOM 2082 CG LYS A 142 4.728 2.816 15.662 1.00 1.02 C ATOM 2083 CD LYS A 142 3.291 2.274 15.682 1.00 1.45 C ATOM 2084 CE LYS A 142 2.608 2.419 14.308 1.00 3.30 C ATOM 2085 NZ LYS A 142 1.260 1.819 14.284 1.00 3.90 N ATOM 0 H LYS A 142 5.882 3.039 13.112 1.00 0.86 H new ATOM 0 HA LYS A 142 5.759 5.783 14.247 1.00 0.92 H new ATOM 0 HB2 LYS A 142 5.042 4.830 16.374 1.00 0.97 H new ATOM 0 HB3 LYS A 142 3.815 4.699 15.130 1.00 0.97 H new ATOM 0 HG2 LYS A 142 5.289 2.312 14.875 1.00 1.02 H new ATOM 0 HG3 LYS A 142 5.215 2.573 16.606 1.00 1.02 H new ATOM 0 HD2 LYS A 142 3.302 1.224 15.974 1.00 1.45 H new ATOM 0 HD3 LYS A 142 2.711 2.808 16.435 1.00 1.45 H new ATOM 0 HE2 LYS A 142 2.537 3.476 14.050 1.00 3.30 H new ATOM 0 HE3 LYS A 142 3.227 1.946 13.546 1.00 3.30 H new ATOM 0 HZ1 LYS A 142 0.614 2.439 13.755 1.00 3.90 H new ATOM 0 HZ2 LYS A 142 1.303 0.888 13.822 1.00 3.90 H new ATOM 0 HZ3 LYS A 142 0.913 1.707 15.258 1.00 3.90 H new ATOM 2099 N THR A 143 8.203 5.205 14.447 1.00 1.09 N ATOM 2100 CA THR A 143 9.580 4.961 14.867 1.00 1.24 C ATOM 2101 C THR A 143 10.064 6.174 15.650 1.00 1.22 C ATOM 2102 O THR A 143 9.298 7.105 15.893 1.00 1.22 O ATOM 2103 CB THR A 143 10.466 4.628 13.656 1.00 1.39 C ATOM 2104 OG1 THR A 143 10.747 5.801 12.929 1.00 2.31 O ATOM 2105 CG2 THR A 143 9.793 3.582 12.761 1.00 1.79 C ATOM 0 H THR A 143 8.058 6.052 13.898 1.00 1.09 H new ATOM 0 HA THR A 143 9.637 4.091 15.521 1.00 1.24 H new ATOM 0 HB THR A 143 11.405 4.206 14.015 1.00 1.39 H new ATOM 0 HG1 THR A 143 11.203 5.567 12.094 1.00 2.31 H new ATOM 0 HG21 THR A 143 10.438 3.362 11.910 1.00 1.79 H new ATOM 0 HG22 THR A 143 9.622 2.670 13.333 1.00 1.79 H new ATOM 0 HG23 THR A 143 8.839 3.969 12.402 1.00 1.79 H new ATOM 2113 N VAL A 144 11.363 6.208 15.956 1.00 1.30 N ATOM 2114 CA VAL A 144 12.042 7.411 16.414 1.00 1.31 C ATOM 2115 C VAL A 144 11.735 8.594 15.483 1.00 1.23 C ATOM 2116 O VAL A 144 11.773 9.740 15.920 1.00 1.30 O ATOM 2117 CB VAL A 144 13.557 7.127 16.504 1.00 1.43 C ATOM 2118 CG1 VAL A 144 14.351 8.366 16.942 1.00 2.01 C ATOM 2119 CG2 VAL A 144 13.842 5.996 17.504 1.00 1.73 C ATOM 0 H VAL A 144 11.973 5.393 15.891 1.00 1.30 H new ATOM 0 HA VAL A 144 11.680 7.687 17.404 1.00 1.31 H new ATOM 0 HB VAL A 144 13.875 6.836 15.503 1.00 1.43 H new ATOM 0 HG11 VAL A 144 15.412 8.120 16.992 1.00 2.01 H new ATOM 0 HG12 VAL A 144 14.198 9.169 16.221 1.00 2.01 H new ATOM 0 HG13 VAL A 144 14.007 8.690 17.924 1.00 2.01 H new ATOM 0 HG21 VAL A 144 14.916 5.814 17.551 1.00 1.73 H new ATOM 0 HG22 VAL A 144 13.480 6.283 18.491 1.00 1.73 H new ATOM 0 HG23 VAL A 144 13.333 5.088 17.181 1.00 1.73 H new ATOM 2129 N ASN A 145 11.444 8.333 14.200 1.00 1.19 N ATOM 2130 CA ASN A 145 11.065 9.387 13.261 1.00 1.22 C ATOM 2131 C ASN A 145 10.273 8.768 12.115 1.00 1.19 C ATOM 2132 O ASN A 145 10.627 8.890 10.946 1.00 1.41 O ATOM 2133 CB ASN A 145 12.273 10.227 12.798 1.00 1.62 C ATOM 2134 CG ASN A 145 13.232 9.504 11.853 1.00 1.63 C ATOM 2135 OD1 ASN A 145 13.585 10.031 10.798 1.00 2.78 O ATOM 2136 ND2 ASN A 145 13.670 8.311 12.233 1.00 1.55 N ATOM 0 H ASN A 145 11.465 7.398 13.793 1.00 1.19 H new ATOM 0 HA ASN A 145 10.420 10.106 13.766 1.00 1.22 H new ATOM 0 HB2 ASN A 145 11.905 11.125 12.302 1.00 1.62 H new ATOM 0 HB3 ASN A 145 12.829 10.554 13.677 1.00 1.62 H new ATOM 0 HD21 ASN A 145 14.324 7.796 11.643 1.00 1.55 H new ATOM 0 HD22 ASN A 145 13.353 7.909 13.115 1.00 1.55 H new ATOM 2143 N GLY A 146 9.174 8.110 12.481 1.00 1.03 N ATOM 2144 CA GLY A 146 8.259 7.451 11.568 1.00 1.08 C ATOM 2145 C GLY A 146 6.899 8.055 11.849 1.00 0.81 C ATOM 2146 O GLY A 146 6.461 8.050 12.999 1.00 0.82 O ATOM 0 H GLY A 146 8.892 8.022 13.457 1.00 1.03 H new ATOM 0 HA2 GLY A 146 8.554 7.614 10.531 1.00 1.08 H new ATOM 0 HA3 GLY A 146 8.251 6.373 11.731 1.00 1.08 H new ATOM 2150 N ILE A 147 6.275 8.638 10.828 1.00 0.76 N ATOM 2151 CA ILE A 147 5.069 9.403 10.981 1.00 0.73 C ATOM 2152 C ILE A 147 3.900 8.430 11.089 1.00 0.78 C ATOM 2153 O ILE A 147 3.750 7.568 10.225 1.00 1.23 O ATOM 2154 CB ILE A 147 4.911 10.332 9.766 1.00 0.86 C ATOM 2155 CG1 ILE A 147 6.163 11.186 9.494 1.00 2.32 C ATOM 2156 CG2 ILE A 147 3.739 11.264 10.056 1.00 2.16 C ATOM 2157 CD1 ILE A 147 7.139 10.560 8.484 1.00 1.59 C ATOM 0 H ILE A 147 6.607 8.584 9.865 1.00 0.76 H new ATOM 0 HA ILE A 147 5.101 10.019 11.879 1.00 0.73 H new ATOM 0 HB ILE A 147 4.749 9.715 8.882 1.00 0.86 H new ATOM 0 HG12 ILE A 147 5.851 12.163 9.125 1.00 2.32 H new ATOM 0 HG13 ILE A 147 6.687 11.354 10.435 1.00 2.32 H new ATOM 0 HG21 ILE A 147 3.595 11.941 9.214 1.00 2.16 H new ATOM 0 HG22 ILE A 147 2.834 10.675 10.207 1.00 2.16 H new ATOM 0 HG23 ILE A 147 3.949 11.843 10.955 1.00 2.16 H new ATOM 0 HD11 ILE A 147 7.994 11.222 8.346 1.00 1.59 H new ATOM 0 HD12 ILE A 147 7.483 9.596 8.859 1.00 1.59 H new ATOM 0 HD13 ILE A 147 6.633 10.418 7.529 1.00 1.59 H new ATOM 2169 N ARG A 148 3.073 8.572 12.130 1.00 0.78 N ATOM 2170 CA ARG A 148 1.948 7.666 12.294 1.00 0.79 C ATOM 2171 C ARG A 148 0.960 7.849 11.146 1.00 0.77 C ATOM 2172 O ARG A 148 0.873 7.002 10.273 1.00 1.18 O ATOM 2173 CB ARG A 148 1.277 7.759 13.673 1.00 0.87 C ATOM 2174 CG ARG A 148 0.336 6.548 13.782 1.00 1.45 C ATOM 2175 CD ARG A 148 -0.680 6.607 14.920 1.00 1.74 C ATOM 2176 NE ARG A 148 -1.636 5.502 14.725 1.00 1.97 N ATOM 2177 CZ ARG A 148 -2.958 5.519 14.948 1.00 2.19 C ATOM 2178 NH1 ARG A 148 -3.515 6.513 15.649 1.00 2.35 N ATOM 2179 NH2 ARG A 148 -3.718 4.540 14.454 1.00 2.92 N ATOM 0 H ARG A 148 3.162 9.288 12.851 1.00 0.78 H new ATOM 0 HA ARG A 148 2.341 6.650 12.253 1.00 0.79 H new ATOM 0 HB2 ARG A 148 2.022 7.745 14.469 1.00 0.87 H new ATOM 0 HB3 ARG A 148 0.722 8.692 13.773 1.00 0.87 H new ATOM 0 HG2 ARG A 148 -0.204 6.443 12.841 1.00 1.45 H new ATOM 0 HG3 ARG A 148 0.941 5.649 13.904 1.00 1.45 H new ATOM 0 HD2 ARG A 148 -0.180 6.515 15.884 1.00 1.74 H new ATOM 0 HD3 ARG A 148 -1.199 7.566 14.920 1.00 1.74 H new ATOM 0 HE ARG A 148 -1.247 4.624 14.381 1.00 1.97 H new ATOM 0 HH11 ARG A 148 -2.933 7.265 16.018 1.00 2.35 H new ATOM 0 HH12 ARG A 148 -4.521 6.519 15.814 1.00 2.35 H new ATOM 0 HH21 ARG A 148 -3.292 3.788 13.912 1.00 2.92 H new ATOM 0 HH22 ARG A 148 -4.725 4.544 14.618 1.00 2.92 H new ATOM 2193 N HIS A 149 0.159 8.908 11.152 1.00 0.66 N ATOM 2194 CA HIS A 149 -0.887 9.025 10.151 1.00 0.67 C ATOM 2195 C HIS A 149 -0.255 9.338 8.794 1.00 0.67 C ATOM 2196 O HIS A 149 0.185 10.466 8.577 1.00 0.90 O ATOM 2197 CB HIS A 149 -1.914 10.067 10.605 1.00 0.81 C ATOM 2198 CG HIS A 149 -2.714 9.576 11.787 1.00 0.97 C ATOM 2199 ND1 HIS A 149 -3.842 8.791 11.719 1.00 2.38 N ATOM 2200 CD2 HIS A 149 -2.353 9.667 13.105 1.00 1.09 C ATOM 2201 CE1 HIS A 149 -4.159 8.430 12.975 1.00 2.23 C ATOM 2202 NE2 HIS A 149 -3.274 8.928 13.856 1.00 0.98 N ATOM 0 H HIS A 149 0.212 9.677 11.820 1.00 0.66 H new ATOM 0 HA HIS A 149 -1.428 8.086 10.036 1.00 0.67 H new ATOM 0 HB2 HIS A 149 -1.402 10.992 10.870 1.00 0.81 H new ATOM 0 HB3 HIS A 149 -2.587 10.300 9.780 1.00 0.81 H new ATOM 0 HD1 HIS A 149 -4.346 8.531 10.871 1.00 2.38 H new ATOM 0 HD2 HIS A 149 -1.507 10.213 13.496 1.00 1.09 H new ATOM 0 HE1 HIS A 149 -5.011 7.821 13.241 1.00 2.23 H new ATOM 2210 N ILE A 150 -0.194 8.343 7.898 1.00 0.61 N ATOM 2211 CA ILE A 150 0.240 8.515 6.522 1.00 0.60 C ATOM 2212 C ILE A 150 -0.954 8.203 5.613 1.00 0.60 C ATOM 2213 O ILE A 150 -1.441 7.073 5.567 1.00 0.79 O ATOM 2214 CB ILE A 150 1.479 7.646 6.236 1.00 0.75 C ATOM 2215 CG1 ILE A 150 2.607 7.981 7.227 1.00 1.21 C ATOM 2216 CG2 ILE A 150 1.951 7.840 4.793 1.00 1.29 C ATOM 2217 CD1 ILE A 150 3.970 7.406 6.832 1.00 1.56 C ATOM 0 H ILE A 150 -0.452 7.382 8.123 1.00 0.61 H new ATOM 0 HA ILE A 150 0.556 9.540 6.327 1.00 0.60 H new ATOM 0 HB ILE A 150 1.206 6.599 6.366 1.00 0.75 H new ATOM 0 HG12 ILE A 150 2.692 9.064 7.313 1.00 1.21 H new ATOM 0 HG13 ILE A 150 2.336 7.603 8.213 1.00 1.21 H new ATOM 0 HG21 ILE A 150 2.827 7.218 4.610 1.00 1.29 H new ATOM 0 HG22 ILE A 150 1.153 7.554 4.108 1.00 1.29 H new ATOM 0 HG23 ILE A 150 2.209 8.887 4.632 1.00 1.29 H new ATOM 0 HD11 ILE A 150 4.713 7.685 7.579 1.00 1.56 H new ATOM 0 HD12 ILE A 150 3.904 6.320 6.774 1.00 1.56 H new ATOM 0 HD13 ILE A 150 4.265 7.804 5.861 1.00 1.56 H new ATOM 2229 N GLY A 151 -1.445 9.214 4.895 1.00 0.58 N ATOM 2230 CA GLY A 151 -2.575 9.074 3.999 1.00 0.69 C ATOM 2231 C GLY A 151 -2.090 8.432 2.706 1.00 0.56 C ATOM 2232 O GLY A 151 -1.133 8.910 2.096 1.00 0.68 O ATOM 0 H GLY A 151 -1.060 10.158 4.925 1.00 0.58 H new ATOM 0 HA2 GLY A 151 -3.350 8.460 4.459 1.00 0.69 H new ATOM 0 HA3 GLY A 151 -3.019 10.048 3.795 1.00 0.69 H new ATOM 2236 N LEU A 152 -2.725 7.328 2.304 1.00 0.55 N ATOM 2237 CA LEU A 152 -2.358 6.598 1.108 1.00 0.69 C ATOM 2238 C LEU A 152 -3.400 6.929 0.042 1.00 0.56 C ATOM 2239 O LEU A 152 -4.550 6.505 0.155 1.00 0.61 O ATOM 2240 CB LEU A 152 -2.301 5.109 1.466 1.00 1.06 C ATOM 2241 CG LEU A 152 -1.650 4.174 0.451 1.00 0.69 C ATOM 2242 CD1 LEU A 152 -2.333 4.220 -0.919 1.00 0.60 C ATOM 2243 CD2 LEU A 152 -0.149 4.435 0.317 1.00 0.79 C ATOM 0 H LEU A 152 -3.512 6.920 2.809 1.00 0.55 H new ATOM 0 HA LEU A 152 -1.379 6.871 0.714 1.00 0.69 H new ATOM 0 HB2 LEU A 152 -1.766 5.008 2.410 1.00 1.06 H new ATOM 0 HB3 LEU A 152 -3.320 4.764 1.639 1.00 1.06 H new ATOM 0 HG LEU A 152 -1.785 3.166 0.844 1.00 0.69 H new ATOM 0 HD11 LEU A 152 -1.828 3.535 -1.600 1.00 0.60 H new ATOM 0 HD12 LEU A 152 -3.377 3.924 -0.815 1.00 0.60 H new ATOM 0 HD13 LEU A 152 -2.281 5.233 -1.318 1.00 0.60 H new ATOM 0 HD21 LEU A 152 0.276 3.748 -0.415 1.00 0.79 H new ATOM 0 HD22 LEU A 152 0.014 5.462 -0.011 1.00 0.79 H new ATOM 0 HD23 LEU A 152 0.335 4.281 1.282 1.00 0.79 H new ATOM 2255 N ALA A 153 -3.005 7.700 -0.972 1.00 0.62 N ATOM 2256 CA ALA A 153 -3.846 8.039 -2.112 1.00 0.69 C ATOM 2257 C ALA A 153 -3.121 7.620 -3.387 1.00 0.60 C ATOM 2258 O ALA A 153 -1.901 7.462 -3.374 1.00 0.76 O ATOM 2259 CB ALA A 153 -4.125 9.544 -2.109 1.00 0.92 C ATOM 0 H ALA A 153 -2.073 8.112 -1.021 1.00 0.62 H new ATOM 0 HA ALA A 153 -4.801 7.517 -2.056 1.00 0.69 H new ATOM 0 HB1 ALA A 153 -4.754 9.799 -2.962 1.00 0.92 H new ATOM 0 HB2 ALA A 153 -4.636 9.817 -1.186 1.00 0.92 H new ATOM 0 HB3 ALA A 153 -3.183 10.089 -2.177 1.00 0.92 H new ATOM 2265 N ALA A 154 -3.854 7.440 -4.486 1.00 0.75 N ATOM 2266 CA ALA A 154 -3.292 7.031 -5.761 1.00 0.67 C ATOM 2267 C ALA A 154 -4.155 7.553 -6.894 1.00 0.75 C ATOM 2268 O ALA A 154 -5.302 7.929 -6.662 1.00 1.05 O ATOM 2269 CB ALA A 154 -3.212 5.507 -5.813 1.00 0.85 C ATOM 0 H ALA A 154 -4.864 7.577 -4.510 1.00 0.75 H new ATOM 0 HA ALA A 154 -2.289 7.444 -5.869 1.00 0.67 H new ATOM 0 HB1 ALA A 154 -2.790 5.197 -6.769 1.00 0.85 H new ATOM 0 HB2 ALA A 154 -2.577 5.148 -5.003 1.00 0.85 H new ATOM 0 HB3 ALA A 154 -4.212 5.086 -5.704 1.00 0.85 H new ATOM 2275 N LYS A 155 -3.604 7.565 -8.110 1.00 0.71 N ATOM 2276 CA LYS A 155 -4.354 7.913 -9.302 1.00 0.86 C ATOM 2277 C LYS A 155 -3.740 7.214 -10.508 1.00 0.92 C ATOM 2278 O LYS A 155 -2.524 7.257 -10.690 1.00 1.24 O ATOM 2279 CB LYS A 155 -4.417 9.431 -9.487 1.00 1.29 C ATOM 2280 CG LYS A 155 -5.358 9.723 -10.658 1.00 1.75 C ATOM 2281 CD LYS A 155 -5.642 11.226 -10.785 1.00 1.97 C ATOM 2282 CE LYS A 155 -6.938 11.474 -11.571 1.00 3.07 C ATOM 2283 NZ LYS A 155 -8.145 11.265 -10.741 1.00 3.24 N ATOM 0 H LYS A 155 -2.627 7.333 -8.288 1.00 0.71 H new ATOM 0 HA LYS A 155 -5.383 7.570 -9.195 1.00 0.86 H new ATOM 0 HB2 LYS A 155 -4.779 9.912 -8.578 1.00 1.29 H new ATOM 0 HB3 LYS A 155 -3.424 9.833 -9.686 1.00 1.29 H new ATOM 0 HG2 LYS A 155 -4.915 9.355 -11.584 1.00 1.75 H new ATOM 0 HG3 LYS A 155 -6.295 9.184 -10.517 1.00 1.75 H new ATOM 0 HD2 LYS A 155 -5.723 11.670 -9.793 1.00 1.97 H new ATOM 0 HD3 LYS A 155 -4.808 11.717 -11.287 1.00 1.97 H new ATOM 0 HE2 LYS A 155 -6.937 12.493 -11.957 1.00 3.07 H new ATOM 0 HE3 LYS A 155 -6.972 10.807 -12.432 1.00 3.07 H new ATOM 0 HZ1 LYS A 155 -8.987 11.242 -11.352 1.00 3.24 H new ATOM 0 HZ2 LYS A 155 -8.063 10.363 -10.230 1.00 3.24 H new ATOM 0 HZ3 LYS A 155 -8.235 12.043 -10.057 1.00 3.24 H new ATOM 2297 N GLN A 156 -4.584 6.515 -11.268 1.00 1.03 N ATOM 2298 CA GLN A 156 -4.175 5.438 -12.142 1.00 1.39 C ATOM 2299 C GLN A 156 -4.957 5.501 -13.457 1.00 2.27 C ATOM 2300 O GLN A 156 -5.857 6.367 -13.555 1.00 3.11 O ATOM 2301 CB GLN A 156 -4.478 4.133 -11.394 1.00 2.13 C ATOM 2302 CG GLN A 156 -4.143 4.233 -9.892 1.00 2.85 C ATOM 2303 CD GLN A 156 -4.579 3.059 -9.041 1.00 3.41 C ATOM 2304 OE1 GLN A 156 -4.416 3.099 -7.827 1.00 5.08 O ATOM 2305 NE2 GLN A 156 -5.205 2.039 -9.611 1.00 2.59 N ATOM 0 H GLN A 156 -5.588 6.693 -11.287 1.00 1.03 H new ATOM 0 HA GLN A 156 -3.116 5.507 -12.391 1.00 1.39 H new ATOM 0 HB2 GLN A 156 -5.532 3.884 -11.514 1.00 2.13 H new ATOM 0 HB3 GLN A 156 -3.905 3.319 -11.839 1.00 2.13 H new ATOM 0 HG2 GLN A 156 -3.065 4.354 -9.787 1.00 2.85 H new ATOM 0 HG3 GLN A 156 -4.605 5.137 -9.495 1.00 2.85 H new ATOM 0 HE21 GLN A 156 -5.333 2.020 -10.623 1.00 2.59 H new ATOM 0 HE22 GLN A 156 -5.559 1.273 -9.038 1.00 2.59 H new