USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1078 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 49 GLN : amide:sc= -0.0618 K(o=-4.6,f=-8.7!) USER MOD Set 1.2: A 71 CYS SG : rot -108:sc= -4.52! USER MOD Set 2.1: A 31 ASN : amide:sc= 1.09 K(o=2.4,f=-7!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -171:sc= 1.35 (180deg=0) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.297 X(o=-0.57,f=-0.46) USER MOD Set 3.2: A 8 MET CE :methyl -163:sc= -0.272 (180deg=-0.0132) USER MOD Single : A 1 ALA N :NH3+ -145:sc= -1 (180deg=-3.57!) USER MOD Single : A 4 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.56) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.075) USER MOD Single : A 12 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.68) USER MOD Single : A 25 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.069) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0105 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 40 HIS : no HE2:sc= -8.15! C(o=-8.2!,f=-8.2!) USER MOD Single : A 50 MET CE :methyl 175:sc= -3.15! (180deg=-3.65!) USER MOD Single : A 53 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.0796 (180deg=-0.442) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -150:sc= -3.86 (180deg=-7.46!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.01 K(o=1,f=-0.22) USER MOD Single : A 78 THR OG1 : rot -98:sc= 0.035 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 100 CYS SG : rot 150:sc= -0.977 USER MOD Single : A 104 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.11) USER MOD Single : A 105 TYR OH : rot 130:sc= -0.577 USER MOD Single : A 107 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.12) USER MOD Single : A 108 SER OG : rot 87:sc= 0.784 USER MOD Single : A 112 SER OG : rot 82:sc= 0.603 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -123:sc= -1.05 USER MOD Single : A 123 MET CE :methyl 174:sc= -13.6! (180deg=-14.3!) USER MOD Single : A 125 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.5!) USER MOD Single : A 126 ASN : amide:sc=-0.00923 K(o=-0.0092,f=-1.3) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.185 27.132 5.575 1.00 0.00 N ATOM 2 CA ALA A 1 -6.007 26.399 4.576 1.00 0.00 C ATOM 3 C ALA A 1 -5.796 24.893 4.687 1.00 0.00 C ATOM 4 O ALA A 1 -5.094 24.418 5.582 1.00 0.00 O ATOM 5 CB ALA A 1 -5.679 26.877 3.169 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.706 27.969 5.907 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.981 26.508 6.382 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.291 27.433 5.136 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.056 26.608 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.288 26.332 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.889 27.943 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.624 26.699 2.961 1.00 0.00 H new ATOM 13 N ARG A 2 -6.402 24.145 3.770 1.00 0.00 N ATOM 14 CA ARG A 2 -6.276 22.693 3.765 1.00 0.00 C ATOM 15 C ARG A 2 -4.812 22.287 3.671 1.00 0.00 C ATOM 16 O ARG A 2 -4.262 21.688 4.597 1.00 0.00 O ATOM 17 CB ARG A 2 -7.064 22.092 2.600 1.00 0.00 C ATOM 18 CG ARG A 2 -8.567 22.296 2.716 1.00 0.00 C ATOM 19 CD ARG A 2 -9.306 20.972 2.831 1.00 0.00 C ATOM 20 NE ARG A 2 -10.748 21.161 2.977 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.616 20.160 3.113 1.00 0.00 C ATOM 22 NH1 ARG A 2 -11.195 18.902 3.122 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.910 20.419 3.241 1.00 0.00 N ATOM 0 H ARG A 2 -6.985 24.521 3.022 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.686 22.310 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.716 22.537 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.854 21.024 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.785 22.911 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.929 22.840 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.107 20.368 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.924 20.417 3.688 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.110 22.114 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.201 18.696 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.866 18.141 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.240 21.384 3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.576 19.653 3.345 1.00 0.00 H new ATOM 37 N GLN A 3 -4.186 22.635 2.554 1.00 0.00 N ATOM 38 CA GLN A 3 -2.776 22.322 2.332 1.00 0.00 C ATOM 39 C GLN A 3 -1.934 22.830 3.496 1.00 0.00 C ATOM 40 O GLN A 3 -0.972 22.183 3.912 1.00 0.00 O ATOM 41 CB GLN A 3 -2.298 22.950 1.020 1.00 0.00 C ATOM 42 CG GLN A 3 -0.800 22.833 0.795 1.00 0.00 C ATOM 43 CD GLN A 3 -0.455 22.136 -0.508 1.00 0.00 C ATOM 44 OE1 GLN A 3 -1.095 22.364 -1.535 1.00 0.00 O ATOM 45 NE2 GLN A 3 0.559 21.280 -0.471 1.00 0.00 N ATOM 0 H GLN A 3 -4.632 23.135 1.785 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.663 21.240 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.819 22.474 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.576 24.004 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.358 23.829 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.354 22.284 1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.061 21.122 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.836 20.780 -1.316 1.00 0.00 H new ATOM 54 N GLN A 4 -2.314 23.987 4.025 1.00 0.00 N ATOM 55 CA GLN A 4 -1.606 24.580 5.151 1.00 0.00 C ATOM 56 C GLN A 4 -1.609 23.626 6.339 1.00 0.00 C ATOM 57 O GLN A 4 -0.650 23.574 7.109 1.00 0.00 O ATOM 58 CB GLN A 4 -2.252 25.910 5.546 1.00 0.00 C ATOM 59 CG GLN A 4 -1.441 26.701 6.559 1.00 0.00 C ATOM 60 CD GLN A 4 -0.021 26.957 6.097 1.00 0.00 C ATOM 61 OE1 GLN A 4 0.298 28.037 5.597 1.00 0.00 O ATOM 62 NE2 GLN A 4 0.843 25.962 6.260 1.00 0.00 N ATOM 0 H GLN A 4 -3.109 24.533 3.692 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.575 24.766 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.392 26.517 4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.242 25.716 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.935 27.654 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.419 26.159 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.536 25.084 6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.813 26.076 5.967 1.00 0.00 H new ATOM 71 N GLU A 5 -2.694 22.868 6.476 1.00 0.00 N ATOM 72 CA GLU A 5 -2.822 21.908 7.563 1.00 0.00 C ATOM 73 C GLU A 5 -1.946 20.686 7.299 1.00 0.00 C ATOM 74 O GLU A 5 -1.197 20.245 8.171 1.00 0.00 O ATOM 75 CB GLU A 5 -4.296 21.512 7.743 1.00 0.00 C ATOM 76 CG GLU A 5 -4.534 20.018 7.908 1.00 0.00 C ATOM 77 CD GLU A 5 -5.906 19.702 8.470 1.00 0.00 C ATOM 78 OE1 GLU A 5 -6.911 20.037 7.808 1.00 0.00 O ATOM 79 OE2 GLU A 5 -5.976 19.122 9.573 1.00 0.00 O ATOM 0 H GLU A 5 -3.496 22.902 5.847 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.479 22.368 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.694 22.029 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.861 21.864 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.420 19.527 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.772 19.604 8.568 1.00 0.00 H new ATOM 86 N ILE A 6 -2.039 20.156 6.087 1.00 0.00 N ATOM 87 CA ILE A 6 -1.250 18.996 5.698 1.00 0.00 C ATOM 88 C ILE A 6 0.234 19.301 5.817 1.00 0.00 C ATOM 89 O ILE A 6 0.951 18.687 6.607 1.00 0.00 O ATOM 90 CB ILE A 6 -1.549 18.583 4.243 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.019 18.199 4.084 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.648 17.440 3.805 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.757 19.093 3.122 1.00 0.00 C ATOM 0 H ILE A 6 -2.654 20.512 5.355 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.519 18.179 6.368 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.345 19.440 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.085 17.168 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.507 18.240 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.880 17.168 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.394 17.752 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.812 16.579 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.796 18.771 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.720 20.122 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.290 19.033 2.139 1.00 0.00 H new ATOM 105 N ASP A 7 0.677 20.258 5.011 1.00 0.00 N ATOM 106 CA ASP A 7 2.078 20.676 4.987 1.00 0.00 C ATOM 107 C ASP A 7 3.021 19.478 5.091 1.00 0.00 C ATOM 108 O ASP A 7 3.546 19.178 6.163 1.00 0.00 O ATOM 109 CB ASP A 7 2.364 21.670 6.116 1.00 0.00 C ATOM 110 CG ASP A 7 1.838 21.196 7.457 1.00 0.00 C ATOM 111 OD1 ASP A 7 2.477 20.316 8.070 1.00 0.00 O ATOM 112 OD2 ASP A 7 0.787 21.709 7.897 1.00 0.00 O ATOM 0 H ASP A 7 0.081 20.766 4.358 1.00 0.00 H new ATOM 0 HA ASP A 7 2.258 21.166 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.439 21.832 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.912 22.631 5.872 1.00 0.00 H new ATOM 117 N MET A 8 3.226 18.795 3.969 1.00 0.00 N ATOM 118 CA MET A 8 4.099 17.627 3.930 1.00 0.00 C ATOM 119 C MET A 8 5.489 17.957 4.462 1.00 0.00 C ATOM 120 O MET A 8 5.852 17.558 5.569 1.00 0.00 O ATOM 121 CB MET A 8 4.200 17.092 2.501 1.00 0.00 C ATOM 122 CG MET A 8 2.885 16.555 1.960 1.00 0.00 C ATOM 123 SD MET A 8 2.565 17.076 0.263 1.00 0.00 S ATOM 124 CE MET A 8 1.427 18.431 0.539 1.00 0.00 C ATOM 0 H MET A 8 2.799 19.031 3.073 1.00 0.00 H new ATOM 0 HA MET A 8 3.663 16.861 4.571 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.554 17.889 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.947 16.299 2.470 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.896 15.466 2.005 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.069 16.892 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.905 18.663 -0.390 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.702 18.147 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.980 19.309 0.873 1.00 0.00 H new ATOM 134 N LYS A 9 6.261 18.687 3.668 1.00 0.00 N ATOM 135 CA LYS A 9 7.613 19.073 4.054 1.00 0.00 C ATOM 136 C LYS A 9 8.464 17.846 4.369 1.00 0.00 C ATOM 137 O LYS A 9 9.380 17.906 5.189 1.00 0.00 O ATOM 138 CB LYS A 9 7.565 20.005 5.265 1.00 0.00 C ATOM 139 CG LYS A 9 7.685 21.477 4.905 1.00 0.00 C ATOM 140 CD LYS A 9 9.020 21.783 4.241 1.00 0.00 C ATOM 141 CE LYS A 9 8.857 22.033 2.749 1.00 0.00 C ATOM 142 NZ LYS A 9 8.860 23.486 2.426 1.00 0.00 N ATOM 0 H LYS A 9 5.973 19.025 2.750 1.00 0.00 H new ATOM 0 HA LYS A 9 8.071 19.598 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.628 19.845 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.371 19.740 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.872 21.756 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.578 22.082 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.469 22.658 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.705 20.950 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.664 21.539 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.924 21.587 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.747 23.614 1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.074 23.954 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.761 23.907 2.730 1.00 0.00 H new ATOM 156 N ARG A 10 8.157 16.733 3.710 1.00 0.00 N ATOM 157 CA ARG A 10 8.893 15.492 3.917 1.00 0.00 C ATOM 158 C ARG A 10 8.985 14.691 2.621 1.00 0.00 C ATOM 159 O ARG A 10 8.288 14.983 1.649 1.00 0.00 O ATOM 160 CB ARG A 10 8.226 14.653 5.010 1.00 0.00 C ATOM 161 CG ARG A 10 9.099 14.443 6.234 1.00 0.00 C ATOM 162 CD ARG A 10 10.360 13.664 5.894 1.00 0.00 C ATOM 163 NE ARG A 10 11.170 13.388 7.078 1.00 0.00 N ATOM 164 CZ ARG A 10 12.249 12.607 7.073 1.00 0.00 C ATOM 165 NH1 ARG A 10 12.650 12.025 5.949 1.00 0.00 N ATOM 166 NH2 ARG A 10 12.929 12.409 8.194 1.00 0.00 N ATOM 0 H ARG A 10 7.402 16.666 3.027 1.00 0.00 H new ATOM 0 HA ARG A 10 9.904 15.746 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.299 15.139 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.955 13.682 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.371 15.410 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.534 13.907 6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.087 12.724 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.952 14.229 5.174 1.00 0.00 H new ATOM 0 HE ARG A 10 10.893 13.819 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.131 12.175 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.477 11.428 5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.626 12.855 9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.755 11.811 8.190 1.00 0.00 H new ATOM 180 N GLN A 11 9.849 13.681 2.614 1.00 0.00 N ATOM 181 CA GLN A 11 10.032 12.840 1.438 1.00 0.00 C ATOM 182 C GLN A 11 8.935 11.783 1.343 1.00 0.00 C ATOM 183 O GLN A 11 8.347 11.389 2.349 1.00 0.00 O ATOM 184 CB GLN A 11 11.405 12.164 1.477 1.00 0.00 C ATOM 185 CG GLN A 11 12.560 13.142 1.610 1.00 0.00 C ATOM 186 CD GLN A 11 13.171 13.509 0.270 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.307 14.686 -0.060 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.540 12.498 -0.508 1.00 0.00 N ATOM 0 H GLN A 11 10.433 13.426 3.410 1.00 0.00 H new ATOM 0 HA GLN A 11 9.972 13.478 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.433 11.465 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.538 11.578 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.209 14.047 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.329 12.706 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.408 11.537 -0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.956 12.682 -1.421 1.00 0.00 H new ATOM 197 N GLN A 12 8.671 11.327 0.122 1.00 0.00 N ATOM 198 CA GLN A 12 7.650 10.312 -0.114 1.00 0.00 C ATOM 199 C GLN A 12 8.281 9.013 -0.601 1.00 0.00 C ATOM 200 O GLN A 12 8.746 8.926 -1.738 1.00 0.00 O ATOM 201 CB GLN A 12 6.634 10.816 -1.140 1.00 0.00 C ATOM 202 CG GLN A 12 5.591 11.756 -0.555 1.00 0.00 C ATOM 203 CD GLN A 12 6.205 13.011 0.033 1.00 0.00 C ATOM 204 OE1 GLN A 12 6.753 13.844 -0.688 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.111 13.152 1.350 1.00 0.00 N ATOM 0 H GLN A 12 9.151 11.645 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 12 7.139 10.115 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.164 11.330 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.129 9.961 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.880 12.034 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.029 11.233 0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.647 12.435 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.502 13.977 1.804 1.00 0.00 H new ATOM 214 N ARG A 13 8.302 8.004 0.266 1.00 0.00 N ATOM 215 CA ARG A 13 8.884 6.715 -0.077 1.00 0.00 C ATOM 216 C ARG A 13 7.800 5.656 -0.262 1.00 0.00 C ATOM 217 O ARG A 13 6.950 5.463 0.607 1.00 0.00 O ATOM 218 CB ARG A 13 9.866 6.284 1.014 1.00 0.00 C ATOM 219 CG ARG A 13 11.233 5.884 0.481 1.00 0.00 C ATOM 220 CD ARG A 13 12.290 5.921 1.574 1.00 0.00 C ATOM 221 NE ARG A 13 13.478 6.664 1.161 1.00 0.00 N ATOM 222 CZ ARG A 13 14.455 6.150 0.416 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.388 4.893 -0.003 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.500 6.897 0.088 1.00 0.00 N ATOM 0 H ARG A 13 7.922 8.057 1.211 1.00 0.00 H new ATOM 0 HA ARG A 13 9.418 6.817 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.988 7.101 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.440 5.445 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.180 4.881 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.520 6.556 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.870 6.378 2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.573 4.902 1.839 1.00 0.00 H new ATOM 0 HE ARG A 13 13.564 7.635 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.585 4.315 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.139 4.505 -0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.555 7.865 0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.249 6.504 -0.483 1.00 0.00 H new ATOM 238 N PHE A 14 7.840 4.972 -1.402 1.00 0.00 N ATOM 239 CA PHE A 14 6.866 3.929 -1.709 1.00 0.00 C ATOM 240 C PHE A 14 7.549 2.566 -1.773 1.00 0.00 C ATOM 241 O PHE A 14 8.734 2.475 -2.094 1.00 0.00 O ATOM 242 CB PHE A 14 6.167 4.232 -3.038 1.00 0.00 C ATOM 243 CG PHE A 14 5.836 5.687 -3.220 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.836 6.609 -3.483 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.527 6.133 -3.125 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.539 7.949 -3.647 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.223 7.471 -3.289 1.00 0.00 C ATOM 248 CZ PHE A 14 5.229 8.381 -3.549 1.00 0.00 C ATOM 0 H PHE A 14 8.538 5.122 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 14 6.119 3.907 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.806 3.907 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.249 3.648 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.861 6.277 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.736 5.427 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.328 8.657 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.199 7.805 -3.214 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.993 9.427 -3.675 1.00 0.00 H new ATOM 258 N PHE A 15 6.807 1.507 -1.455 1.00 0.00 N ATOM 259 CA PHE A 15 7.372 0.161 -1.471 1.00 0.00 C ATOM 260 C PHE A 15 6.323 -0.897 -1.800 1.00 0.00 C ATOM 261 O PHE A 15 5.123 -0.687 -1.610 1.00 0.00 O ATOM 262 CB PHE A 15 8.014 -0.155 -0.118 1.00 0.00 C ATOM 263 CG PHE A 15 8.774 0.999 0.469 1.00 0.00 C ATOM 264 CD1 PHE A 15 10.039 1.320 0.005 1.00 0.00 C ATOM 265 CD2 PHE A 15 8.219 1.763 1.481 1.00 0.00 C ATOM 266 CE1 PHE A 15 10.737 2.387 0.539 1.00 0.00 C ATOM 267 CE2 PHE A 15 8.913 2.829 2.020 1.00 0.00 C ATOM 268 CZ PHE A 15 10.171 3.142 1.549 1.00 0.00 C ATOM 0 H PHE A 15 5.824 1.554 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 15 8.128 0.135 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.236 -0.461 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.689 -1.003 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.485 0.730 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.234 1.523 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.722 2.630 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.470 3.417 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.713 3.976 1.969 1.00 0.00 H new ATOM 278 N ARG A 16 6.800 -2.040 -2.282 1.00 0.00 N ATOM 279 CA ARG A 16 5.941 -3.164 -2.635 1.00 0.00 C ATOM 280 C ARG A 16 6.688 -4.474 -2.417 1.00 0.00 C ATOM 281 O ARG A 16 7.911 -4.525 -2.546 1.00 0.00 O ATOM 282 CB ARG A 16 5.487 -3.057 -4.092 1.00 0.00 C ATOM 283 CG ARG A 16 4.444 -4.091 -4.481 1.00 0.00 C ATOM 284 CD ARG A 16 4.514 -4.424 -5.963 1.00 0.00 C ATOM 285 NE ARG A 16 5.680 -5.243 -6.285 1.00 0.00 N ATOM 286 CZ ARG A 16 6.171 -5.381 -7.514 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.600 -4.759 -8.539 1.00 0.00 N ATOM 288 NH2 ARG A 16 7.235 -6.145 -7.720 1.00 0.00 N ATOM 0 H ARG A 16 7.793 -2.213 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 16 5.059 -3.143 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.081 -2.060 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.354 -3.165 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.594 -4.998 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.450 -3.716 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.607 -4.952 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.549 -3.500 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 16 6.145 -5.738 -5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.780 -4.171 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.981 -4.869 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.677 -6.626 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.612 -6.251 -8.662 1.00 0.00 H new ATOM 302 N ILE A 17 5.956 -5.533 -2.084 1.00 0.00 N ATOM 303 CA ILE A 17 6.576 -6.834 -1.850 1.00 0.00 C ATOM 304 C ILE A 17 5.612 -7.974 -2.174 1.00 0.00 C ATOM 305 O ILE A 17 4.577 -8.125 -1.523 1.00 0.00 O ATOM 306 CB ILE A 17 7.074 -6.987 -0.390 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.771 -5.729 0.432 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.565 -7.287 -0.369 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.314 -5.780 1.845 1.00 0.00 C ATOM 0 H ILE A 17 4.942 -5.518 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 17 7.436 -6.888 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 17 6.540 -7.822 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.191 -4.862 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.692 -5.583 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.901 -7.392 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.757 -8.214 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.107 -6.470 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.061 -4.856 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.875 -6.626 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.398 -5.894 1.814 1.00 0.00 H new ATOM 321 N PRO A 18 5.939 -8.798 -3.189 1.00 0.00 N ATOM 322 CA PRO A 18 5.101 -9.925 -3.593 1.00 0.00 C ATOM 323 C PRO A 18 5.339 -11.161 -2.732 1.00 0.00 C ATOM 324 O PRO A 18 6.128 -12.035 -3.092 1.00 0.00 O ATOM 325 CB PRO A 18 5.556 -10.183 -5.025 1.00 0.00 C ATOM 326 CG PRO A 18 6.999 -9.810 -5.028 1.00 0.00 C ATOM 327 CD PRO A 18 7.154 -8.694 -4.024 1.00 0.00 C ATOM 0 HA PRO A 18 4.037 -9.709 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.415 -11.227 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.989 -9.583 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.621 -10.664 -4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.314 -9.486 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.059 -8.814 -3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.221 -7.722 -4.513 1.00 0.00 H new ATOM 335 N PHE A 19 4.655 -11.234 -1.595 1.00 0.00 N ATOM 336 CA PHE A 19 4.804 -12.374 -0.697 1.00 0.00 C ATOM 337 C PHE A 19 3.606 -13.309 -0.809 1.00 0.00 C ATOM 338 O PHE A 19 2.465 -12.865 -0.935 1.00 0.00 O ATOM 339 CB PHE A 19 4.979 -11.906 0.750 1.00 0.00 C ATOM 340 CG PHE A 19 3.798 -11.156 1.302 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.608 -11.812 1.575 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.883 -9.796 1.553 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.525 -11.125 2.088 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.802 -9.104 2.064 1.00 0.00 C ATOM 345 CZ PHE A 19 1.621 -9.769 2.332 1.00 0.00 C ATOM 0 H PHE A 19 3.997 -10.523 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 19 5.699 -12.921 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.171 -12.774 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.861 -11.268 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.527 -12.872 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.804 -9.271 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.604 -11.648 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.880 -8.044 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.775 -9.230 2.731 1.00 0.00 H new ATOM 355 N ILE A 20 3.878 -14.608 -0.770 1.00 0.00 N ATOM 356 CA ILE A 20 2.827 -15.611 -0.874 1.00 0.00 C ATOM 357 C ILE A 20 2.304 -16.006 0.502 1.00 0.00 C ATOM 358 O ILE A 20 3.072 -16.122 1.458 1.00 0.00 O ATOM 359 CB ILE A 20 3.327 -16.872 -1.604 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.122 -16.481 -2.850 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.159 -17.772 -1.975 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.836 -17.647 -3.501 1.00 0.00 C ATOM 0 H ILE A 20 4.818 -14.991 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 20 2.017 -15.163 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 20 3.984 -17.425 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.446 -16.028 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.855 -15.721 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.531 -18.658 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.630 -18.073 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.477 -17.231 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.380 -17.297 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.537 -18.086 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.106 -18.398 -3.802 1.00 0.00 H new ATOM 374 N ARG A 21 0.996 -16.215 0.593 1.00 0.00 N ATOM 375 CA ARG A 21 0.371 -16.601 1.852 1.00 0.00 C ATOM 376 C ARG A 21 0.973 -17.905 2.373 1.00 0.00 C ATOM 377 O ARG A 21 1.179 -18.847 1.610 1.00 0.00 O ATOM 378 CB ARG A 21 -1.139 -16.753 1.670 1.00 0.00 C ATOM 379 CG ARG A 21 -1.950 -15.885 2.617 1.00 0.00 C ATOM 380 CD ARG A 21 -3.400 -16.331 2.672 1.00 0.00 C ATOM 381 NE ARG A 21 -4.005 -16.070 3.976 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.318 -16.004 4.187 1.00 0.00 C ATOM 383 NH1 ARG A 21 -6.169 -16.176 3.181 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.783 -15.766 5.404 1.00 0.00 N ATOM 0 H ARG A 21 0.348 -16.124 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 21 0.559 -15.816 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.401 -16.500 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.413 -17.797 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.516 -15.930 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.899 -14.845 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.968 -15.813 1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.460 -17.397 2.452 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.384 -15.930 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.817 -16.360 2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.174 -16.124 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.135 -15.633 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.789 -15.716 5.565 1.00 0.00 H new ATOM 398 N PRO A 22 1.274 -17.977 3.682 1.00 0.00 N ATOM 399 CA PRO A 22 1.865 -19.176 4.288 1.00 0.00 C ATOM 400 C PRO A 22 1.050 -20.438 4.026 1.00 0.00 C ATOM 401 O PRO A 22 1.565 -21.424 3.502 1.00 0.00 O ATOM 402 CB PRO A 22 1.875 -18.853 5.786 1.00 0.00 C ATOM 403 CG PRO A 22 1.870 -17.367 5.856 1.00 0.00 C ATOM 404 CD PRO A 22 1.074 -16.901 4.669 1.00 0.00 C ATOM 0 HA PRO A 22 2.850 -19.388 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.004 -19.275 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.756 -19.269 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.421 -17.021 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.885 -16.971 5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.020 -16.773 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.432 -15.942 4.296 1.00 0.00 H new ATOM 412 N ALA A 23 -0.222 -20.399 4.398 1.00 0.00 N ATOM 413 CA ALA A 23 -1.112 -21.540 4.214 1.00 0.00 C ATOM 414 C ALA A 23 -1.069 -22.063 2.785 1.00 0.00 C ATOM 415 O ALA A 23 -0.816 -23.243 2.551 1.00 0.00 O ATOM 416 CB ALA A 23 -2.535 -21.162 4.596 1.00 0.00 C ATOM 0 H ALA A 23 -0.663 -19.587 4.831 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.766 -22.340 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.190 -22.022 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.561 -20.854 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.874 -20.340 3.966 1.00 0.00 H new ATOM 422 N ASP A 24 -1.321 -21.175 1.837 1.00 0.00 N ATOM 423 CA ASP A 24 -1.320 -21.536 0.424 1.00 0.00 C ATOM 424 C ASP A 24 0.098 -21.820 -0.072 1.00 0.00 C ATOM 425 O ASP A 24 0.305 -22.637 -0.974 1.00 0.00 O ATOM 426 CB ASP A 24 -1.945 -20.414 -0.405 1.00 0.00 C ATOM 427 CG ASP A 24 -3.452 -20.349 -0.246 1.00 0.00 C ATOM 428 OD1 ASP A 24 -4.119 -21.376 -0.489 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.964 -19.271 0.122 1.00 0.00 O ATOM 0 H ASP A 24 -1.530 -20.193 2.019 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.911 -22.444 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.509 -19.460 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.699 -20.563 -1.456 1.00 0.00 H new ATOM 434 N GLN A 25 1.066 -21.133 0.527 1.00 0.00 N ATOM 435 CA GLN A 25 2.471 -21.280 0.162 1.00 0.00 C ATOM 436 C GLN A 25 2.907 -22.741 0.180 1.00 0.00 C ATOM 437 O GLN A 25 3.397 -23.265 -0.820 1.00 0.00 O ATOM 438 CB GLN A 25 3.335 -20.439 1.114 1.00 0.00 C ATOM 439 CG GLN A 25 4.718 -21.012 1.392 1.00 0.00 C ATOM 440 CD GLN A 25 5.755 -19.935 1.632 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.456 -19.945 2.644 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.856 -18.994 0.701 1.00 0.00 N ATOM 0 H GLN A 25 0.900 -20.461 1.276 1.00 0.00 H new ATOM 0 HA GLN A 25 2.604 -20.921 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.448 -19.440 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.806 -20.328 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.669 -21.665 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.028 -21.629 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.255 -19.025 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.535 -18.240 0.809 1.00 0.00 H new ATOM 451 N TYR A 26 2.737 -23.386 1.323 1.00 0.00 N ATOM 452 CA TYR A 26 3.129 -24.787 1.467 1.00 0.00 C ATOM 453 C TYR A 26 2.000 -25.729 1.068 1.00 0.00 C ATOM 454 O TYR A 26 2.235 -26.903 0.781 1.00 0.00 O ATOM 455 CB TYR A 26 3.577 -25.090 2.900 1.00 0.00 C ATOM 456 CG TYR A 26 2.798 -24.354 3.964 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.501 -24.728 4.285 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.366 -23.290 4.650 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.790 -24.059 5.260 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.661 -22.614 5.628 1.00 0.00 C ATOM 461 CZ TYR A 26 1.373 -23.004 5.929 1.00 0.00 C ATOM 462 OH TYR A 26 0.666 -22.336 6.902 1.00 0.00 O ATOM 0 H TYR A 26 2.333 -22.969 2.162 1.00 0.00 H new ATOM 0 HA TYR A 26 3.969 -24.954 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.488 -26.162 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.633 -24.837 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.041 -25.555 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.375 -22.985 4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.219 -24.361 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.115 -21.787 6.153 1.00 0.00 H new ATOM 0 HH TYR A 26 1.221 -21.620 7.276 1.00 0.00 H new ATOM 472 N LYS A 27 0.773 -25.216 1.043 1.00 0.00 N ATOM 473 CA LYS A 27 -0.377 -26.028 0.670 1.00 0.00 C ATOM 474 C LYS A 27 -0.176 -26.651 -0.705 1.00 0.00 C ATOM 475 O LYS A 27 -0.266 -27.866 -0.867 1.00 0.00 O ATOM 476 CB LYS A 27 -1.652 -25.185 0.682 1.00 0.00 C ATOM 477 CG LYS A 27 -2.493 -25.376 1.932 1.00 0.00 C ATOM 478 CD LYS A 27 -3.374 -24.168 2.203 1.00 0.00 C ATOM 479 CE LYS A 27 -4.766 -24.348 1.615 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.699 -24.990 2.582 1.00 0.00 N ATOM 0 H LYS A 27 0.552 -24.248 1.275 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.477 -26.830 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.383 -24.133 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.253 -25.436 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.116 -26.264 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.840 -25.550 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.450 -24.006 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.911 -23.277 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.163 -23.377 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.703 -24.956 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.636 -25.095 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.334 -25.927 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.779 -24.397 3.433 1.00 0.00 H new ATOM 494 N ASP A 28 0.097 -25.805 -1.692 1.00 0.00 N ATOM 495 CA ASP A 28 0.308 -26.274 -3.051 1.00 0.00 C ATOM 496 C ASP A 28 0.907 -25.177 -3.931 1.00 0.00 C ATOM 497 O ASP A 28 0.587 -23.999 -3.773 1.00 0.00 O ATOM 498 CB ASP A 28 -1.015 -26.747 -3.641 1.00 0.00 C ATOM 499 CG ASP A 28 -2.123 -25.728 -3.467 1.00 0.00 C ATOM 500 OD1 ASP A 28 -1.820 -24.516 -3.448 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.296 -26.141 -3.347 1.00 0.00 O ATOM 0 H ASP A 28 0.177 -24.795 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 28 1.014 -27.104 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.882 -26.957 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.308 -27.683 -3.165 1.00 0.00 H new ATOM 506 N PRO A 29 1.786 -25.555 -4.877 1.00 0.00 N ATOM 507 CA PRO A 29 2.427 -24.603 -5.788 1.00 0.00 C ATOM 508 C PRO A 29 1.473 -24.074 -6.857 1.00 0.00 C ATOM 509 O PRO A 29 1.839 -23.207 -7.650 1.00 0.00 O ATOM 510 CB PRO A 29 3.541 -25.427 -6.429 1.00 0.00 C ATOM 511 CG PRO A 29 3.035 -26.822 -6.396 1.00 0.00 C ATOM 512 CD PRO A 29 2.220 -26.941 -5.137 1.00 0.00 C ATOM 0 HA PRO A 29 2.777 -23.714 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.739 -25.100 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.475 -25.330 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.428 -27.037 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.859 -27.535 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.370 -27.610 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.811 -27.338 -4.312 1.00 0.00 H new ATOM 520 N GLN A 30 0.251 -24.601 -6.877 1.00 0.00 N ATOM 521 CA GLN A 30 -0.746 -24.176 -7.852 1.00 0.00 C ATOM 522 C GLN A 30 -1.698 -23.152 -7.246 1.00 0.00 C ATOM 523 O GLN A 30 -2.072 -22.175 -7.896 1.00 0.00 O ATOM 524 CB GLN A 30 -1.536 -25.382 -8.363 1.00 0.00 C ATOM 525 CG GLN A 30 -0.718 -26.313 -9.246 1.00 0.00 C ATOM 526 CD GLN A 30 -0.953 -27.776 -8.924 1.00 0.00 C ATOM 527 OE1 GLN A 30 -0.298 -28.346 -8.051 1.00 0.00 O ATOM 528 NE2 GLN A 30 -1.893 -28.395 -9.632 1.00 0.00 N ATOM 0 H GLN A 30 -0.071 -25.321 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.224 -23.710 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.917 -25.944 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.401 -25.029 -8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.968 -26.130 -10.291 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.341 -26.084 -9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.412 -27.885 -10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.095 -29.380 -9.461 1.00 0.00 H new ATOM 537 N ASN A 31 -2.086 -23.382 -5.997 1.00 0.00 N ATOM 538 CA ASN A 31 -2.994 -22.480 -5.299 1.00 0.00 C ATOM 539 C ASN A 31 -2.260 -21.712 -4.206 1.00 0.00 C ATOM 540 O ASN A 31 -2.830 -21.416 -3.154 1.00 0.00 O ATOM 541 CB ASN A 31 -4.160 -23.263 -4.692 1.00 0.00 C ATOM 542 CG ASN A 31 -5.335 -23.380 -5.642 1.00 0.00 C ATOM 543 OD1 ASN A 31 -6.355 -22.712 -5.472 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.199 -24.234 -6.650 1.00 0.00 N ATOM 0 H ASN A 31 -1.786 -24.186 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.385 -21.765 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.819 -24.261 -4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.485 -22.772 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.958 -24.356 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.336 -24.768 -6.753 1.00 0.00 H new ATOM 551 N LYS A 32 -0.995 -21.391 -4.457 1.00 0.00 N ATOM 552 CA LYS A 32 -0.187 -20.659 -3.491 1.00 0.00 C ATOM 553 C LYS A 32 -0.717 -19.242 -3.294 1.00 0.00 C ATOM 554 O LYS A 32 -0.630 -18.682 -2.202 1.00 0.00 O ATOM 555 CB LYS A 32 1.272 -20.607 -3.943 1.00 0.00 C ATOM 556 CG LYS A 32 1.455 -20.010 -5.327 1.00 0.00 C ATOM 557 CD LYS A 32 2.259 -20.929 -6.230 1.00 0.00 C ATOM 558 CE LYS A 32 3.665 -20.399 -6.466 1.00 0.00 C ATOM 559 NZ LYS A 32 4.696 -21.459 -6.289 1.00 0.00 N ATOM 0 H LYS A 32 -0.508 -21.627 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.247 -21.187 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.846 -20.022 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.683 -21.616 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.479 -19.822 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.959 -19.047 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.315 -21.921 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.747 -21.039 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.734 -19.990 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.865 -19.580 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.640 -21.057 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.648 -21.832 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.521 -22.230 -6.965 1.00 0.00 H new ATOM 573 N LYS A 33 -1.262 -18.665 -4.361 1.00 0.00 N ATOM 574 CA LYS A 33 -1.801 -17.312 -4.305 1.00 0.00 C ATOM 575 C LYS A 33 -0.718 -16.314 -3.907 1.00 0.00 C ATOM 576 O LYS A 33 -0.282 -16.283 -2.758 1.00 0.00 O ATOM 577 CB LYS A 33 -2.963 -17.244 -3.312 1.00 0.00 C ATOM 578 CG LYS A 33 -3.998 -18.341 -3.511 1.00 0.00 C ATOM 579 CD LYS A 33 -4.675 -18.231 -4.868 1.00 0.00 C ATOM 580 CE LYS A 33 -4.858 -19.596 -5.513 1.00 0.00 C ATOM 581 NZ LYS A 33 -6.284 -20.025 -5.510 1.00 0.00 N ATOM 0 H LYS A 33 -1.342 -19.114 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.166 -17.050 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.568 -17.308 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.452 -16.274 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.518 -19.316 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.749 -18.281 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.646 -17.749 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.079 -17.595 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.490 -19.565 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.256 -20.333 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.349 -21.017 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.672 -19.933 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.828 -19.425 -6.162 1.00 0.00 H new ATOM 595 N LYS A 34 -0.289 -15.502 -4.867 1.00 0.00 N ATOM 596 CA LYS A 34 0.745 -14.504 -4.614 1.00 0.00 C ATOM 597 C LYS A 34 0.122 -13.196 -4.138 1.00 0.00 C ATOM 598 O LYS A 34 -0.579 -12.521 -4.891 1.00 0.00 O ATOM 599 CB LYS A 34 1.581 -14.248 -5.873 1.00 0.00 C ATOM 600 CG LYS A 34 1.777 -15.471 -6.761 1.00 0.00 C ATOM 601 CD LYS A 34 3.050 -16.224 -6.409 1.00 0.00 C ATOM 602 CE LYS A 34 4.283 -15.345 -6.550 1.00 0.00 C ATOM 603 NZ LYS A 34 5.263 -15.912 -7.516 1.00 0.00 N ATOM 0 H LYS A 34 -0.640 -15.515 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 34 1.399 -14.894 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.102 -13.463 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.559 -13.871 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.920 -16.137 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.815 -15.160 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.982 -16.594 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.148 -17.095 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.983 -14.350 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.759 -15.229 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.088 -15.283 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.569 -16.851 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.817 -15.999 -8.452 1.00 0.00 H new ATOM 617 N GLY A 35 0.381 -12.845 -2.882 1.00 0.00 N ATOM 618 CA GLY A 35 -0.166 -11.620 -2.330 1.00 0.00 C ATOM 619 C GLY A 35 0.776 -10.441 -2.480 1.00 0.00 C ATOM 620 O GLY A 35 1.909 -10.475 -1.996 1.00 0.00 O ATOM 0 H GLY A 35 0.959 -13.386 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.109 -11.392 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.389 -11.770 -1.274 1.00 0.00 H new ATOM 624 N TRP A 36 0.304 -9.392 -3.147 1.00 0.00 N ATOM 625 CA TRP A 36 1.107 -8.193 -3.356 1.00 0.00 C ATOM 626 C TRP A 36 0.746 -7.120 -2.338 1.00 0.00 C ATOM 627 O TRP A 36 -0.405 -6.694 -2.251 1.00 0.00 O ATOM 628 CB TRP A 36 0.906 -7.661 -4.775 1.00 0.00 C ATOM 629 CG TRP A 36 1.355 -8.622 -5.828 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.639 -8.870 -6.214 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.522 -9.469 -6.628 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.659 -9.825 -7.202 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.371 -10.208 -7.475 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.858 -9.675 -6.709 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.883 -11.138 -8.390 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.340 -10.598 -7.619 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.471 -11.320 -8.448 1.00 0.00 C ATOM 0 H TRP A 36 -0.631 -9.349 -3.552 1.00 0.00 H new ATOM 0 HA TRP A 36 2.156 -8.456 -3.223 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.149 -7.433 -4.925 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.454 -6.725 -4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.513 -8.386 -5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.496 -10.189 -7.658 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.535 -9.124 -6.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.550 -11.695 -9.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.404 -10.765 -7.692 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.879 -12.035 -9.147 1.00 0.00 H new ATOM 648 N TRP A 37 1.733 -6.696 -1.559 1.00 0.00 N ATOM 649 CA TRP A 37 1.516 -5.681 -0.536 1.00 0.00 C ATOM 650 C TRP A 37 2.159 -4.354 -0.926 1.00 0.00 C ATOM 651 O TRP A 37 3.378 -4.261 -1.068 1.00 0.00 O ATOM 652 CB TRP A 37 2.079 -6.162 0.801 1.00 0.00 C ATOM 653 CG TRP A 37 1.740 -5.271 1.955 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.496 -5.002 2.446 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.660 -4.535 2.767 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.585 -4.143 3.515 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.905 -3.842 3.733 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.051 -4.395 2.774 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.493 -3.024 4.693 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.635 -3.581 3.727 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.857 -2.905 4.676 1.00 0.00 C ATOM 0 H TRP A 37 2.692 -7.039 -1.616 1.00 0.00 H new ATOM 0 HA TRP A 37 0.442 -5.520 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.701 -7.164 1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.163 -6.240 0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.425 -5.405 2.052 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.202 -3.787 4.058 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.659 -4.914 2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.895 -2.502 5.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.709 -3.464 3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.343 -2.278 5.409 1.00 0.00 H new ATOM 672 N TYR A 38 1.330 -3.328 -1.086 1.00 0.00 N ATOM 673 CA TYR A 38 1.813 -2.001 -1.446 1.00 0.00 C ATOM 674 C TYR A 38 1.635 -1.041 -0.279 1.00 0.00 C ATOM 675 O TYR A 38 0.753 -1.227 0.560 1.00 0.00 O ATOM 676 CB TYR A 38 1.063 -1.465 -2.668 1.00 0.00 C ATOM 677 CG TYR A 38 1.165 -2.344 -3.893 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.524 -3.574 -3.944 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.895 -1.938 -5.004 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.609 -4.378 -5.065 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.985 -2.735 -6.129 1.00 0.00 C ATOM 682 CZ TYR A 38 1.340 -3.954 -6.155 1.00 0.00 C ATOM 683 OH TYR A 38 1.426 -4.750 -7.274 1.00 0.00 O ATOM 0 H TYR A 38 0.318 -3.391 -0.972 1.00 0.00 H new ATOM 0 HA TYR A 38 2.872 -2.081 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.011 -1.342 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.449 -0.475 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.051 -3.909 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.400 -0.984 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.106 -5.333 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.557 -2.405 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 38 1.977 -4.304 -7.951 1.00 0.00 H new ATOM 693 N ALA A 39 2.472 -0.011 -0.223 1.00 0.00 N ATOM 694 CA ALA A 39 2.387 0.969 0.851 1.00 0.00 C ATOM 695 C ALA A 39 3.190 2.221 0.534 1.00 0.00 C ATOM 696 O ALA A 39 4.393 2.158 0.278 1.00 0.00 O ATOM 697 CB ALA A 39 2.860 0.353 2.158 1.00 0.00 C ATOM 0 H ALA A 39 3.211 0.166 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 39 1.343 1.265 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.793 1.094 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.232 -0.503 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.895 0.026 2.053 1.00 0.00 H new ATOM 703 N HIS A 40 2.512 3.361 0.572 1.00 0.00 N ATOM 704 CA HIS A 40 3.148 4.642 0.311 1.00 0.00 C ATOM 705 C HIS A 40 3.506 5.315 1.630 1.00 0.00 C ATOM 706 O HIS A 40 2.669 5.983 2.245 1.00 0.00 O ATOM 707 CB HIS A 40 2.220 5.538 -0.515 1.00 0.00 C ATOM 708 CG HIS A 40 2.698 6.953 -0.648 1.00 0.00 C ATOM 709 ND1 HIS A 40 1.915 7.965 -1.165 1.00 0.00 N ATOM 710 CD2 HIS A 40 3.883 7.523 -0.326 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.600 9.096 -1.155 1.00 0.00 C ATOM 712 NE2 HIS A 40 3.794 8.854 -0.650 1.00 0.00 N ATOM 0 H HIS A 40 1.516 3.422 0.783 1.00 0.00 H new ATOM 0 HA HIS A 40 4.061 4.478 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.108 5.108 -1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.231 5.541 -0.056 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.958 7.857 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.738 7.024 0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.243 10.055 -1.501 1.00 0.00 H new ATOM 721 N PHE A 41 4.745 5.116 2.067 1.00 0.00 N ATOM 722 CA PHE A 41 5.211 5.687 3.323 1.00 0.00 C ATOM 723 C PHE A 41 5.546 7.168 3.173 1.00 0.00 C ATOM 724 O PHE A 41 5.984 7.618 2.114 1.00 0.00 O ATOM 725 CB PHE A 41 6.444 4.938 3.831 1.00 0.00 C ATOM 726 CG PHE A 41 6.159 3.557 4.349 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.687 2.566 3.503 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.372 3.250 5.684 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.430 1.295 3.980 1.00 0.00 C ATOM 730 CE2 PHE A 41 6.116 1.982 6.166 1.00 0.00 C ATOM 731 CZ PHE A 41 5.646 1.002 5.314 1.00 0.00 C ATOM 0 H PHE A 41 5.443 4.564 1.569 1.00 0.00 H new ATOM 0 HA PHE A 41 4.401 5.585 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.170 4.867 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.908 5.523 4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.518 2.790 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.742 4.011 6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.061 0.531 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.283 1.756 7.209 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.448 0.009 5.689 1.00 0.00 H new ATOM 741 N ASP A 42 5.359 7.909 4.258 1.00 0.00 N ATOM 742 CA ASP A 42 5.658 9.332 4.289 1.00 0.00 C ATOM 743 C ASP A 42 6.658 9.607 5.400 1.00 0.00 C ATOM 744 O ASP A 42 6.340 9.468 6.584 1.00 0.00 O ATOM 745 CB ASP A 42 4.379 10.144 4.514 1.00 0.00 C ATOM 746 CG ASP A 42 3.402 10.016 3.362 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.839 9.647 2.252 1.00 0.00 O ATOM 748 OD2 ASP A 42 2.202 10.288 3.571 1.00 0.00 O ATOM 0 H ASP A 42 4.997 7.541 5.138 1.00 0.00 H new ATOM 0 HA ASP A 42 6.086 9.631 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.898 9.811 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.638 11.194 4.652 1.00 0.00 H new ATOM 753 N GLY A 43 7.879 9.965 5.023 1.00 0.00 N ATOM 754 CA GLY A 43 8.901 10.212 6.017 1.00 0.00 C ATOM 755 C GLY A 43 9.164 8.972 6.852 1.00 0.00 C ATOM 756 O GLY A 43 9.316 7.880 6.303 1.00 0.00 O ATOM 0 H GLY A 43 8.177 10.087 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.822 10.525 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.591 11.032 6.665 1.00 0.00 H new ATOM 760 N PRO A 44 9.216 9.097 8.186 1.00 0.00 N ATOM 761 CA PRO A 44 9.454 7.959 9.075 1.00 0.00 C ATOM 762 C PRO A 44 8.237 7.040 9.188 1.00 0.00 C ATOM 763 O PRO A 44 8.351 5.900 9.634 1.00 0.00 O ATOM 764 CB PRO A 44 9.753 8.609 10.437 1.00 0.00 C ATOM 765 CG PRO A 44 9.843 10.080 10.185 1.00 0.00 C ATOM 766 CD PRO A 44 9.048 10.342 8.939 1.00 0.00 C ATOM 0 HA PRO A 44 10.261 7.327 8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.966 8.385 11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.685 8.228 10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.443 10.644 11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.880 10.390 10.057 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.000 10.543 9.161 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.428 11.203 8.389 1.00 0.00 H new ATOM 774 N TRP A 45 7.071 7.554 8.811 1.00 0.00 N ATOM 775 CA TRP A 45 5.829 6.795 8.899 1.00 0.00 C ATOM 776 C TRP A 45 5.202 6.575 7.526 1.00 0.00 C ATOM 777 O TRP A 45 5.853 6.758 6.498 1.00 0.00 O ATOM 778 CB TRP A 45 4.857 7.543 9.809 1.00 0.00 C ATOM 779 CG TRP A 45 5.564 8.416 10.800 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.147 9.625 10.559 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.791 8.126 12.176 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.713 10.110 11.711 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.504 9.209 12.722 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.449 7.059 12.998 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.884 9.248 14.061 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.826 7.093 14.326 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.537 8.183 14.847 1.00 0.00 C ATOM 0 H TRP A 45 6.960 8.498 8.440 1.00 0.00 H new ATOM 0 HA TRP A 45 6.051 5.812 9.313 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.190 8.154 9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.234 6.824 10.341 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.161 10.127 9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.209 10.997 11.800 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.898 6.218 12.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.432 10.087 14.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.569 6.267 14.973 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.817 8.182 15.890 1.00 0.00 H new ATOM 798 N ILE A 46 3.930 6.178 7.518 1.00 0.00 N ATOM 799 CA ILE A 46 3.210 5.929 6.275 1.00 0.00 C ATOM 800 C ILE A 46 1.803 6.513 6.327 1.00 0.00 C ATOM 801 O ILE A 46 1.218 6.661 7.400 1.00 0.00 O ATOM 802 CB ILE A 46 3.135 4.419 5.954 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.084 4.135 4.877 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.838 3.621 7.212 1.00 0.00 C ATOM 805 CD1 ILE A 46 2.131 2.719 4.346 1.00 0.00 C ATOM 0 H ILE A 46 3.378 6.022 8.362 1.00 0.00 H new ATOM 0 HA ILE A 46 3.769 6.424 5.481 1.00 0.00 H new ATOM 0 HB ILE A 46 4.106 4.109 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.093 4.328 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.227 4.830 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.789 2.560 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.628 3.788 7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.883 3.942 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.359 2.589 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.109 2.528 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.958 2.018 5.163 1.00 0.00 H new ATOM 817 N ALA A 47 1.272 6.850 5.156 1.00 0.00 N ATOM 818 CA ALA A 47 -0.062 7.427 5.062 1.00 0.00 C ATOM 819 C ALA A 47 -0.963 6.639 4.111 1.00 0.00 C ATOM 820 O ALA A 47 -2.187 6.767 4.166 1.00 0.00 O ATOM 821 CB ALA A 47 0.027 8.878 4.617 1.00 0.00 C ATOM 0 H ALA A 47 1.746 6.733 4.260 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.511 7.377 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.976 9.300 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.612 9.445 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.509 8.930 3.641 1.00 0.00 H new ATOM 827 N ARG A 48 -0.369 5.829 3.232 1.00 0.00 N ATOM 828 CA ARG A 48 -1.156 5.049 2.285 1.00 0.00 C ATOM 829 C ARG A 48 -0.697 3.596 2.244 1.00 0.00 C ATOM 830 O ARG A 48 0.499 3.313 2.226 1.00 0.00 O ATOM 831 CB ARG A 48 -1.066 5.670 0.890 1.00 0.00 C ATOM 832 CG ARG A 48 -2.317 6.431 0.485 1.00 0.00 C ATOM 833 CD ARG A 48 -2.412 6.587 -1.024 1.00 0.00 C ATOM 834 NE ARG A 48 -3.349 7.640 -1.404 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.389 8.199 -2.611 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.541 7.818 -3.558 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.278 9.147 -2.870 1.00 0.00 N ATOM 0 H ARG A 48 0.640 5.699 3.159 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.194 5.063 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.212 6.346 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.878 4.882 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.198 5.906 0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.313 7.415 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.426 6.815 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.728 5.643 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.013 7.967 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.852 7.092 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.578 8.252 -4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.930 9.447 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.310 9.577 -3.794 1.00 0.00 H new ATOM 851 N GLN A 49 -1.660 2.679 2.227 1.00 0.00 N ATOM 852 CA GLN A 49 -1.356 1.254 2.184 1.00 0.00 C ATOM 853 C GLN A 49 -2.416 0.497 1.390 1.00 0.00 C ATOM 854 O GLN A 49 -3.593 0.493 1.751 1.00 0.00 O ATOM 855 CB GLN A 49 -1.258 0.686 3.601 1.00 0.00 C ATOM 856 CG GLN A 49 -0.583 -0.674 3.667 1.00 0.00 C ATOM 857 CD GLN A 49 -1.257 -1.612 4.651 1.00 0.00 C ATOM 858 OE1 GLN A 49 -1.472 -2.787 4.357 1.00 0.00 O ATOM 859 NE2 GLN A 49 -1.593 -1.094 5.827 1.00 0.00 N ATOM 0 H GLN A 49 -2.656 2.898 2.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.395 1.128 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.706 1.387 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.261 0.605 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.589 -1.127 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.461 -0.544 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.395 -0.114 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.049 -1.677 6.529 1.00 0.00 H new ATOM 868 N MET A 50 -1.988 -0.140 0.305 1.00 0.00 N ATOM 869 CA MET A 50 -2.894 -0.902 -0.545 1.00 0.00 C ATOM 870 C MET A 50 -2.579 -2.391 -0.470 1.00 0.00 C ATOM 871 O MET A 50 -1.482 -2.823 -0.827 1.00 0.00 O ATOM 872 CB MET A 50 -2.794 -0.415 -1.992 1.00 0.00 C ATOM 873 CG MET A 50 -3.692 -1.169 -2.958 1.00 0.00 C ATOM 874 SD MET A 50 -3.891 -0.313 -4.534 1.00 0.00 S ATOM 875 CE MET A 50 -2.220 0.261 -4.829 1.00 0.00 C ATOM 0 H MET A 50 -1.017 -0.143 -0.006 1.00 0.00 H new ATOM 0 HA MET A 50 -3.912 -0.747 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.048 0.644 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.760 -0.506 -2.325 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.275 -2.160 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.671 -1.313 -2.501 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.165 0.732 -5.810 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.944 0.985 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.533 -0.585 -4.793 1.00 0.00 H new ATOM 885 N GLU A 51 -3.545 -3.171 0.004 1.00 0.00 N ATOM 886 CA GLU A 51 -3.367 -4.613 0.134 1.00 0.00 C ATOM 887 C GLU A 51 -4.053 -5.363 -1.004 1.00 0.00 C ATOM 888 O GLU A 51 -5.271 -5.291 -1.161 1.00 0.00 O ATOM 889 CB GLU A 51 -3.915 -5.091 1.482 1.00 0.00 C ATOM 890 CG GLU A 51 -2.837 -5.340 2.524 1.00 0.00 C ATOM 891 CD GLU A 51 -3.402 -5.470 3.926 1.00 0.00 C ATOM 892 OE1 GLU A 51 -4.621 -5.704 4.059 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.622 -5.339 4.893 1.00 0.00 O ATOM 0 H GLU A 51 -4.458 -2.830 0.304 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.299 -4.825 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.614 -4.347 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.480 -6.010 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.293 -6.250 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.118 -4.522 2.500 1.00 0.00 H new ATOM 900 N LEU A 52 -3.262 -6.087 -1.790 1.00 0.00 N ATOM 901 CA LEU A 52 -3.788 -6.860 -2.913 1.00 0.00 C ATOM 902 C LEU A 52 -3.491 -8.346 -2.729 1.00 0.00 C ATOM 903 O LEU A 52 -2.330 -8.753 -2.701 1.00 0.00 O ATOM 904 CB LEU A 52 -3.179 -6.372 -4.231 1.00 0.00 C ATOM 905 CG LEU A 52 -3.437 -4.903 -4.567 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.362 -4.370 -5.505 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.817 -4.735 -5.185 1.00 0.00 C ATOM 0 H LEU A 52 -2.251 -6.155 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.868 -6.717 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.102 -6.536 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.569 -6.987 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.400 -4.326 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.564 -3.323 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.386 -4.456 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.366 -4.949 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.986 -3.684 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.880 -5.325 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.575 -5.076 -4.480 1.00 0.00 H new ATOM 919 N HIS A 53 -4.541 -9.153 -2.602 1.00 0.00 N ATOM 920 CA HIS A 53 -4.374 -10.590 -2.420 1.00 0.00 C ATOM 921 C HIS A 53 -5.245 -11.372 -3.404 1.00 0.00 C ATOM 922 O HIS A 53 -6.437 -11.100 -3.539 1.00 0.00 O ATOM 923 CB HIS A 53 -4.727 -10.981 -0.983 1.00 0.00 C ATOM 924 CG HIS A 53 -3.538 -11.092 -0.082 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.666 -12.161 -0.110 1.00 0.00 N ATOM 926 CD2 HIS A 53 -3.075 -10.257 0.881 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.722 -11.982 0.797 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.946 -10.835 1.410 1.00 0.00 N ATOM 0 H HIS A 53 -5.511 -8.838 -2.622 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.331 -10.839 -2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.415 -10.242 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.254 -11.935 -0.994 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.512 -9.315 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.906 -12.659 1.002 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.373 -10.441 2.156 1.00 0.00 H new ATOM 937 N PRO A 54 -4.663 -12.360 -4.107 1.00 0.00 N ATOM 938 CA PRO A 54 -5.402 -13.175 -5.077 1.00 0.00 C ATOM 939 C PRO A 54 -6.679 -13.765 -4.487 1.00 0.00 C ATOM 940 O PRO A 54 -7.623 -14.076 -5.214 1.00 0.00 O ATOM 941 CB PRO A 54 -4.414 -14.288 -5.434 1.00 0.00 C ATOM 942 CG PRO A 54 -3.071 -13.697 -5.177 1.00 0.00 C ATOM 943 CD PRO A 54 -3.246 -12.762 -4.013 1.00 0.00 C ATOM 0 HA PRO A 54 -5.731 -12.588 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.580 -15.176 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.520 -14.593 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.341 -14.473 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.705 -13.164 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.030 -13.255 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.579 -11.903 -4.084 1.00 0.00 H new ATOM 951 N ASP A 55 -6.702 -13.916 -3.166 1.00 0.00 N ATOM 952 CA ASP A 55 -7.865 -14.468 -2.481 1.00 0.00 C ATOM 953 C ASP A 55 -8.665 -13.372 -1.780 1.00 0.00 C ATOM 954 O ASP A 55 -9.858 -13.536 -1.518 1.00 0.00 O ATOM 955 CB ASP A 55 -7.431 -15.528 -1.467 1.00 0.00 C ATOM 956 CG ASP A 55 -6.429 -14.996 -0.461 1.00 0.00 C ATOM 957 OD1 ASP A 55 -5.612 -14.129 -0.838 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.461 -15.447 0.703 1.00 0.00 O ATOM 0 H ASP A 55 -5.929 -13.664 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.506 -14.932 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.308 -15.901 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.994 -16.375 -1.996 1.00 0.00 H new ATOM 963 N LYS A 56 -8.009 -12.254 -1.480 1.00 0.00 N ATOM 964 CA LYS A 56 -8.669 -11.138 -0.814 1.00 0.00 C ATOM 965 C LYS A 56 -8.619 -9.877 -1.680 1.00 0.00 C ATOM 966 O LYS A 56 -7.547 -9.472 -2.136 1.00 0.00 O ATOM 967 CB LYS A 56 -8.022 -10.867 0.546 1.00 0.00 C ATOM 968 CG LYS A 56 -8.022 -12.074 1.471 1.00 0.00 C ATOM 969 CD LYS A 56 -6.608 -12.522 1.808 1.00 0.00 C ATOM 970 CE LYS A 56 -6.106 -11.866 3.084 1.00 0.00 C ATOM 971 NZ LYS A 56 -6.864 -12.325 4.280 1.00 0.00 N ATOM 0 H LYS A 56 -7.023 -12.098 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.714 -11.409 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.994 -10.538 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.549 -10.047 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.555 -11.829 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.561 -12.895 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.586 -13.606 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.940 -12.274 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.048 -12.092 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.192 -10.783 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.272 -12.218 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.726 -11.753 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.124 -13.325 4.163 1.00 0.00 H new ATOM 985 N PRO A 57 -9.780 -9.236 -1.918 1.00 0.00 N ATOM 986 CA PRO A 57 -9.860 -8.021 -2.734 1.00 0.00 C ATOM 987 C PRO A 57 -8.839 -6.968 -2.313 1.00 0.00 C ATOM 988 O PRO A 57 -8.166 -7.117 -1.293 1.00 0.00 O ATOM 989 CB PRO A 57 -11.292 -7.509 -2.504 1.00 0.00 C ATOM 990 CG PRO A 57 -11.840 -8.328 -1.381 1.00 0.00 C ATOM 991 CD PRO A 57 -11.101 -9.632 -1.415 1.00 0.00 C ATOM 0 HA PRO A 57 -9.639 -8.228 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.293 -6.449 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.897 -7.623 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.696 -7.824 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.912 -8.485 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.039 -10.089 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.585 -10.356 -2.071 1.00 0.00 H new ATOM 999 N PRO A 58 -8.709 -5.888 -3.101 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.762 -4.807 -2.810 1.00 0.00 C ATOM 1001 C PRO A 58 -8.075 -4.100 -1.496 1.00 0.00 C ATOM 1002 O PRO A 58 -8.629 -3.002 -1.486 1.00 0.00 O ATOM 1003 CB PRO A 58 -7.934 -3.841 -3.990 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.269 -4.165 -4.563 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.471 -5.635 -4.336 1.00 0.00 C ATOM 0 HA PRO A 58 -6.745 -5.183 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.888 -2.803 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.144 -3.976 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.053 -3.584 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.306 -3.926 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.526 -5.884 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.096 -6.227 -5.170 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.711 -4.736 -0.385 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.949 -4.163 0.935 1.00 0.00 C ATOM 1015 C ILE A 59 -7.299 -2.789 1.053 1.00 0.00 C ATOM 1016 O ILE A 59 -6.093 -2.673 1.267 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.411 -5.082 2.052 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.093 -6.450 1.984 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.620 -4.446 3.422 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.148 -7.604 2.231 1.00 0.00 C ATOM 0 H ILE A 59 -7.251 -5.646 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.028 -4.063 1.054 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.340 -5.218 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.897 -6.484 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.553 -6.570 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.234 -5.111 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.092 -3.494 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.684 -4.278 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.697 -8.544 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.358 -7.594 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.707 -7.507 3.223 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.113 -1.750 0.904 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.629 -0.379 0.985 1.00 0.00 C ATOM 1034 C LEU A 60 -7.380 0.030 2.434 1.00 0.00 C ATOM 1035 O LEU A 60 -8.226 -0.176 3.303 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.639 0.574 0.333 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.173 1.237 -0.968 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.422 0.248 -1.849 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.363 1.816 -1.718 1.00 0.00 C ATOM 0 H LEU A 60 -9.114 -1.833 0.726 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.682 -0.319 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.556 0.021 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.890 1.356 1.050 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.489 2.046 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.103 0.746 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.548 -0.124 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.077 -0.587 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.019 2.284 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.066 1.018 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.858 2.561 -1.095 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.213 0.616 2.684 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.850 1.057 4.025 1.00 0.00 C ATOM 1053 C LEU A 61 -5.307 2.484 3.996 1.00 0.00 C ATOM 1054 O LEU A 61 -4.660 2.891 3.030 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.811 0.110 4.632 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.283 -0.657 5.867 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.845 0.304 6.901 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.324 -1.698 5.481 1.00 0.00 C ATOM 0 H LEU A 61 -5.503 0.796 1.974 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.747 1.042 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.507 -0.608 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.926 0.688 4.897 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.428 -1.173 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.177 -0.256 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.072 1.013 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.689 0.845 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.649 -2.235 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.180 -1.204 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.889 -2.402 4.772 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.572 3.237 5.058 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.107 4.617 5.145 1.00 0.00 C ATOM 1072 C VAL A 62 -4.874 5.031 6.595 1.00 0.00 C ATOM 1073 O VAL A 62 -5.676 4.723 7.477 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.111 5.589 4.491 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.443 5.561 5.223 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.541 7.000 4.451 1.00 0.00 C ATOM 0 H VAL A 62 -6.104 2.917 5.867 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.162 4.669 4.605 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.285 5.264 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.136 6.254 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.856 4.553 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.294 5.856 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.263 7.671 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.333 7.337 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.618 7.003 3.872 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.768 5.730 6.832 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.424 6.185 8.174 1.00 0.00 C ATOM 1088 C ALA A 63 -4.503 7.102 8.741 1.00 0.00 C ATOM 1089 O ALA A 63 -5.389 7.557 8.017 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.080 6.897 8.158 1.00 0.00 C ATOM 0 H ALA A 63 -3.095 5.993 6.112 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.355 5.310 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.834 7.232 9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.309 6.212 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.132 7.758 7.492 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.421 7.370 10.040 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.393 8.232 10.685 1.00 0.00 C ATOM 1098 C GLY A 64 -6.760 7.586 10.794 1.00 0.00 C ATOM 1099 O GLY A 64 -7.231 7.295 11.893 1.00 0.00 O ATOM 0 H GLY A 64 -3.697 7.004 10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.038 8.493 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.478 9.162 10.123 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.399 7.363 9.651 1.00 0.00 N ATOM 1104 CA LYS A 65 -8.721 6.749 9.620 1.00 0.00 C ATOM 1105 C LYS A 65 -8.648 5.277 10.013 1.00 0.00 C ATOM 1106 O LYS A 65 -9.170 4.873 11.052 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.337 6.885 8.227 1.00 0.00 C ATOM 1108 CG LYS A 65 -10.840 6.659 8.203 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.189 5.280 7.665 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.608 4.880 8.034 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.615 5.502 7.130 1.00 0.00 N ATOM 0 H LYS A 65 -7.022 7.599 8.733 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.351 7.269 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.121 7.880 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.860 6.171 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.242 6.770 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.314 7.422 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.078 5.273 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.488 4.546 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.702 3.795 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.812 5.176 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.569 5.204 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.543 6.538 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.436 5.200 6.151 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.998 4.478 9.173 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.857 3.051 9.427 1.00 0.00 C ATOM 1127 C ASP A 66 -6.467 2.728 9.970 1.00 0.00 C ATOM 1128 O ASP A 66 -5.738 1.914 9.404 1.00 0.00 O ATOM 1129 CB ASP A 66 -8.122 2.260 8.146 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.619 0.854 8.424 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -8.658 0.460 9.610 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.973 0.147 7.457 1.00 0.00 O ATOM 0 H ASP A 66 -7.560 4.797 8.309 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.591 2.763 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.859 2.789 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.205 2.208 7.558 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.109 3.379 11.073 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.807 3.175 11.702 1.00 0.00 C ATOM 1139 C ASP A 67 -4.714 1.803 12.371 1.00 0.00 C ATOM 1140 O ASP A 67 -3.620 1.327 12.672 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.540 4.277 12.731 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.423 5.207 12.305 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.435 4.718 11.715 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.532 6.424 12.562 1.00 0.00 O ATOM 0 H ASP A 67 -6.705 4.055 11.552 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.050 3.219 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.451 4.855 12.885 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.285 3.822 13.688 1.00 0.00 H new ATOM 1149 N MET A 68 -5.862 1.173 12.607 1.00 0.00 N ATOM 1150 CA MET A 68 -5.893 -0.136 13.245 1.00 0.00 C ATOM 1151 C MET A 68 -5.509 -1.227 12.256 1.00 0.00 C ATOM 1152 O MET A 68 -4.935 -2.248 12.633 1.00 0.00 O ATOM 1153 CB MET A 68 -7.285 -0.415 13.817 1.00 0.00 C ATOM 1154 CG MET A 68 -7.459 0.059 15.251 1.00 0.00 C ATOM 1155 SD MET A 68 -8.901 1.120 15.466 1.00 0.00 S ATOM 1156 CE MET A 68 -8.244 2.697 14.930 1.00 0.00 C ATOM 0 H MET A 68 -6.779 1.548 12.366 1.00 0.00 H new ATOM 0 HA MET A 68 -5.168 -0.135 14.059 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.031 0.072 13.189 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.480 -1.486 13.771 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.550 -0.807 15.907 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.565 0.601 15.561 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.020 3.459 15.005 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.401 2.974 15.563 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.911 2.619 13.895 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.828 -1.005 10.986 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.514 -1.972 9.946 1.00 0.00 C ATOM 1168 C GLU A 69 -4.236 -1.587 9.201 1.00 0.00 C ATOM 1169 O GLU A 69 -3.592 -2.431 8.577 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.680 -2.095 8.963 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.440 -3.405 9.083 1.00 0.00 C ATOM 1172 CD GLU A 69 -6.961 -4.452 8.095 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -5.732 -4.644 7.985 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -7.815 -5.077 7.432 1.00 0.00 O ATOM 0 H GLU A 69 -6.303 -0.165 10.654 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.350 -2.937 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.371 -1.268 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.299 -1.997 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.332 -3.791 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.502 -3.220 8.924 1.00 0.00 H new ATOM 1181 N MET A 70 -3.874 -0.307 9.269 1.00 0.00 N ATOM 1182 CA MET A 70 -2.675 0.190 8.601 1.00 0.00 C ATOM 1183 C MET A 70 -1.447 -0.628 8.992 1.00 0.00 C ATOM 1184 O MET A 70 -1.550 -1.610 9.726 1.00 0.00 O ATOM 1185 CB MET A 70 -2.453 1.664 8.947 1.00 0.00 C ATOM 1186 CG MET A 70 -2.700 2.607 7.781 1.00 0.00 C ATOM 1187 SD MET A 70 -1.173 3.259 7.075 1.00 0.00 S ATOM 1188 CE MET A 70 -1.688 3.580 5.389 1.00 0.00 C ATOM 0 H MET A 70 -4.395 0.405 9.781 1.00 0.00 H new ATOM 0 HA MET A 70 -2.822 0.091 7.525 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.112 1.938 9.771 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.430 1.796 9.299 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.258 2.081 7.006 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.323 3.436 8.116 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.835 3.466 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.468 2.873 5.106 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.075 4.596 5.314 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.285 -0.215 8.496 1.00 0.00 N ATOM 1199 CA CYS A 71 0.962 -0.909 8.794 1.00 0.00 C ATOM 1200 C CYS A 71 1.279 -0.837 10.284 1.00 0.00 C ATOM 1201 O CYS A 71 1.612 -1.844 10.908 1.00 0.00 O ATOM 1202 CB CYS A 71 2.117 -0.305 7.988 1.00 0.00 C ATOM 1203 SG CYS A 71 1.719 0.028 6.255 1.00 0.00 S ATOM 0 H CYS A 71 -0.181 0.596 7.886 1.00 0.00 H new ATOM 0 HA CYS A 71 0.841 -1.955 8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.429 0.625 8.463 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.968 -0.985 8.029 1.00 0.00 H new ATOM 0 HG CYS A 71 2.327 -0.835 5.497 1.00 0.00 H new ATOM 1209 N GLU A 72 1.168 0.363 10.848 1.00 0.00 N ATOM 1210 CA GLU A 72 1.440 0.575 12.266 1.00 0.00 C ATOM 1211 C GLU A 72 2.931 0.441 12.566 1.00 0.00 C ATOM 1212 O GLU A 72 3.322 0.127 13.690 1.00 0.00 O ATOM 1213 CB GLU A 72 0.642 -0.416 13.120 1.00 0.00 C ATOM 1214 CG GLU A 72 -0.228 0.253 14.173 1.00 0.00 C ATOM 1215 CD GLU A 72 -1.436 -0.582 14.545 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.273 -1.804 14.754 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -2.547 -0.017 14.629 1.00 0.00 O ATOM 0 H GLU A 72 0.891 1.205 10.343 1.00 0.00 H new ATOM 0 HA GLU A 72 1.129 1.589 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.010 -1.019 12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.334 -1.099 13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.368 0.441 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.561 1.222 13.802 1.00 0.00 H new ATOM 1224 N LYS A 73 3.760 0.684 11.555 1.00 0.00 N ATOM 1225 CA LYS A 73 5.209 0.593 11.715 1.00 0.00 C ATOM 1226 C LYS A 73 5.916 1.584 10.797 1.00 0.00 C ATOM 1227 O LYS A 73 5.384 1.971 9.757 1.00 0.00 O ATOM 1228 CB LYS A 73 5.710 -0.831 11.424 1.00 0.00 C ATOM 1229 CG LYS A 73 4.609 -1.878 11.319 1.00 0.00 C ATOM 1230 CD LYS A 73 4.106 -2.301 12.690 1.00 0.00 C ATOM 1231 CE LYS A 73 4.389 -3.770 12.961 1.00 0.00 C ATOM 1232 NZ LYS A 73 5.834 -4.019 13.221 1.00 0.00 N ATOM 0 H LYS A 73 3.455 0.945 10.617 1.00 0.00 H new ATOM 0 HA LYS A 73 5.442 0.839 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.274 -0.821 10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.402 -1.127 12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.781 -1.478 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.985 -2.750 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.582 -1.691 13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.034 -2.118 12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.804 -4.100 13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.066 -4.365 12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.985 -5.032 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.391 -3.728 12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.137 -3.471 14.051 1.00 0.00 H new ATOM 1246 N ASN A 74 7.120 1.985 11.186 1.00 0.00 N ATOM 1247 CA ASN A 74 7.904 2.928 10.395 1.00 0.00 C ATOM 1248 C ASN A 74 8.582 2.211 9.231 1.00 0.00 C ATOM 1249 O ASN A 74 8.301 1.044 8.959 1.00 0.00 O ATOM 1250 CB ASN A 74 8.950 3.619 11.275 1.00 0.00 C ATOM 1251 CG ASN A 74 8.327 4.349 12.450 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.996 3.738 13.467 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.162 5.662 12.318 1.00 0.00 N ATOM 0 H ASN A 74 7.575 1.673 12.044 1.00 0.00 H new ATOM 0 HA ASN A 74 7.232 3.686 9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.657 2.876 11.646 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.518 4.327 10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.747 6.203 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.450 6.128 11.458 1.00 0.00 H new ATOM 1260 N LEU A 75 9.473 2.918 8.543 1.00 0.00 N ATOM 1261 CA LEU A 75 10.184 2.346 7.404 1.00 0.00 C ATOM 1262 C LEU A 75 10.984 1.112 7.814 1.00 0.00 C ATOM 1263 O LEU A 75 10.852 0.047 7.212 1.00 0.00 O ATOM 1264 CB LEU A 75 11.117 3.394 6.789 1.00 0.00 C ATOM 1265 CG LEU A 75 10.876 3.691 5.308 1.00 0.00 C ATOM 1266 CD1 LEU A 75 10.834 2.400 4.502 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.589 4.478 5.127 1.00 0.00 C ATOM 0 H LEU A 75 9.720 3.885 8.753 1.00 0.00 H new ATOM 0 HA LEU A 75 9.445 2.040 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.015 4.323 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.147 3.058 6.913 1.00 0.00 H new ATOM 0 HG LEU A 75 11.704 4.296 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.662 2.633 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.783 1.875 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.027 1.767 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.433 4.681 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.751 3.898 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.659 5.420 5.670 1.00 0.00 H new ATOM 1279 N GLU A 76 11.816 1.265 8.838 1.00 0.00 N ATOM 1280 CA GLU A 76 12.641 0.163 9.325 1.00 0.00 C ATOM 1281 C GLU A 76 11.792 -0.892 10.029 1.00 0.00 C ATOM 1282 O GLU A 76 11.969 -2.092 9.815 1.00 0.00 O ATOM 1283 CB GLU A 76 13.717 0.682 10.282 1.00 0.00 C ATOM 1284 CG GLU A 76 14.268 2.048 9.902 1.00 0.00 C ATOM 1285 CD GLU A 76 15.770 2.141 10.082 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.505 1.596 9.232 1.00 0.00 O ATOM 1287 OE2 GLU A 76 16.213 2.762 11.073 1.00 0.00 O ATOM 0 H GLU A 76 11.938 2.140 9.347 1.00 0.00 H new ATOM 0 HA GLU A 76 13.121 -0.298 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.301 0.735 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.538 -0.035 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.016 2.261 8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.785 2.813 10.510 1.00 0.00 H new ATOM 1294 N GLU A 77 10.878 -0.434 10.876 1.00 0.00 N ATOM 1295 CA GLU A 77 10.005 -1.330 11.628 1.00 0.00 C ATOM 1296 C GLU A 77 9.250 -2.284 10.705 1.00 0.00 C ATOM 1297 O GLU A 77 8.967 -3.424 11.076 1.00 0.00 O ATOM 1298 CB GLU A 77 9.007 -0.521 12.460 1.00 0.00 C ATOM 1299 CG GLU A 77 8.431 -1.293 13.637 1.00 0.00 C ATOM 1300 CD GLU A 77 9.443 -1.500 14.747 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.376 -2.307 14.557 1.00 0.00 O ATOM 1302 OE2 GLU A 77 9.300 -0.856 15.808 1.00 0.00 O ATOM 0 H GLU A 77 10.721 0.557 11.060 1.00 0.00 H new ATOM 0 HA GLU A 77 10.635 -1.925 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.500 0.377 12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.191 -0.194 11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.568 -0.757 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.073 -2.263 13.291 1.00 0.00 H new ATOM 1309 N THR A 78 8.921 -1.813 9.507 1.00 0.00 N ATOM 1310 CA THR A 78 8.192 -2.632 8.545 1.00 0.00 C ATOM 1311 C THR A 78 9.080 -3.738 7.982 1.00 0.00 C ATOM 1312 O THR A 78 8.874 -4.917 8.270 1.00 0.00 O ATOM 1313 CB THR A 78 7.652 -1.765 7.409 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.512 -0.671 7.157 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.272 -1.207 7.687 1.00 0.00 C ATOM 0 H THR A 78 9.146 -0.873 9.180 1.00 0.00 H new ATOM 0 HA THR A 78 7.355 -3.097 9.066 1.00 0.00 H new ATOM 0 HB THR A 78 7.594 -2.427 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.169 0.127 7.611 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.947 -0.601 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.571 -2.028 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.303 -0.590 8.585 1.00 0.00 H new ATOM 1323 N GLY A 79 10.066 -3.352 7.180 1.00 0.00 N ATOM 1324 CA GLY A 79 10.967 -4.327 6.595 1.00 0.00 C ATOM 1325 C GLY A 79 11.193 -4.105 5.111 1.00 0.00 C ATOM 1326 O GLY A 79 12.172 -4.595 4.548 1.00 0.00 O ATOM 0 H GLY A 79 10.257 -2.383 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.925 -4.286 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.563 -5.327 6.750 1.00 0.00 H new ATOM 1330 N LEU A 80 10.286 -3.369 4.473 1.00 0.00 N ATOM 1331 CA LEU A 80 10.395 -3.088 3.045 1.00 0.00 C ATOM 1332 C LEU A 80 11.772 -2.525 2.701 1.00 0.00 C ATOM 1333 O LEU A 80 12.312 -2.790 1.627 1.00 0.00 O ATOM 1334 CB LEU A 80 9.305 -2.106 2.611 1.00 0.00 C ATOM 1335 CG LEU A 80 7.881 -2.503 3.016 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.319 -1.514 4.027 1.00 0.00 C ATOM 1337 CD2 LEU A 80 6.977 -2.590 1.794 1.00 0.00 C ATOM 0 H LEU A 80 9.468 -2.957 4.922 1.00 0.00 H new ATOM 0 HA LEU A 80 10.263 -4.026 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.528 -1.127 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.343 -2.000 1.527 1.00 0.00 H new ATOM 0 HG LEU A 80 7.920 -3.488 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.307 -1.811 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.950 -1.504 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.297 -0.517 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.971 -2.873 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.944 -1.621 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.368 -3.338 1.105 1.00 0.00 H new ATOM 1349 N THR A 81 12.334 -1.749 3.622 1.00 0.00 N ATOM 1350 CA THR A 81 13.649 -1.155 3.417 1.00 0.00 C ATOM 1351 C THR A 81 14.746 -2.190 3.634 1.00 0.00 C ATOM 1352 O THR A 81 15.706 -2.265 2.867 1.00 0.00 O ATOM 1353 CB THR A 81 13.853 0.031 4.362 1.00 0.00 C ATOM 1354 OG1 THR A 81 12.994 -0.068 5.486 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.598 1.369 3.705 1.00 0.00 C ATOM 0 H THR A 81 11.900 -1.517 4.516 1.00 0.00 H new ATOM 0 HA THR A 81 13.705 -0.799 2.388 1.00 0.00 H new ATOM 0 HB THR A 81 14.900 -0.015 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.141 0.699 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.760 2.167 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.280 1.498 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.569 1.408 3.346 1.00 0.00 H new ATOM 1363 N ARG A 82 14.595 -2.990 4.685 1.00 0.00 N ATOM 1364 CA ARG A 82 15.570 -4.027 5.004 1.00 0.00 C ATOM 1365 C ARG A 82 15.694 -5.023 3.855 1.00 0.00 C ATOM 1366 O ARG A 82 16.754 -5.614 3.643 1.00 0.00 O ATOM 1367 CB ARG A 82 15.169 -4.756 6.286 1.00 0.00 C ATOM 1368 CG ARG A 82 14.778 -3.823 7.423 1.00 0.00 C ATOM 1369 CD ARG A 82 15.719 -3.955 8.609 1.00 0.00 C ATOM 1370 NE ARG A 82 15.754 -5.320 9.134 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.716 -6.203 8.863 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.726 -5.879 8.064 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.665 -7.416 9.394 1.00 0.00 N ATOM 0 H ARG A 82 13.807 -2.940 5.330 1.00 0.00 H new ATOM 0 HA ARG A 82 16.538 -3.550 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.333 -5.421 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.999 -5.383 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.784 -2.793 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.759 -4.044 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.724 -3.656 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.405 -3.271 9.398 1.00 0.00 H new ATOM 0 HE ARG A 82 14.994 -5.615 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.771 -4.947 7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.457 -6.562 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.892 -7.672 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.399 -8.094 9.189 1.00 0.00 H new ATOM 1387 N LYS A 83 14.603 -5.204 3.115 1.00 0.00 N ATOM 1388 CA LYS A 83 14.588 -6.127 1.986 1.00 0.00 C ATOM 1389 C LYS A 83 15.630 -5.730 0.945 1.00 0.00 C ATOM 1390 O LYS A 83 16.487 -4.885 1.202 1.00 0.00 O ATOM 1391 CB LYS A 83 13.195 -6.158 1.349 1.00 0.00 C ATOM 1392 CG LYS A 83 12.488 -7.496 1.497 1.00 0.00 C ATOM 1393 CD LYS A 83 11.612 -7.528 2.738 1.00 0.00 C ATOM 1394 CE LYS A 83 11.624 -8.899 3.398 1.00 0.00 C ATOM 1395 NZ LYS A 83 11.956 -8.813 4.846 1.00 0.00 N ATOM 0 H LYS A 83 13.718 -4.723 3.278 1.00 0.00 H new ATOM 0 HA LYS A 83 14.834 -7.122 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.580 -5.380 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.284 -5.919 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.877 -7.686 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.227 -8.295 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.960 -6.779 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.590 -7.262 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.648 -9.369 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.351 -9.538 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.954 -9.767 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.898 -8.387 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.248 -8.224 5.330 1.00 0.00 H new ATOM 1409 N ARG A 84 15.548 -6.343 -0.230 1.00 0.00 N ATOM 1410 CA ARG A 84 16.482 -6.052 -1.311 1.00 0.00 C ATOM 1411 C ARG A 84 15.810 -5.219 -2.398 1.00 0.00 C ATOM 1412 O ARG A 84 15.440 -5.739 -3.451 1.00 0.00 O ATOM 1413 CB ARG A 84 17.028 -7.352 -1.906 1.00 0.00 C ATOM 1414 CG ARG A 84 18.396 -7.740 -1.367 1.00 0.00 C ATOM 1415 CD ARG A 84 19.487 -7.543 -2.410 1.00 0.00 C ATOM 1416 NE ARG A 84 20.046 -8.813 -2.865 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.739 -8.958 -3.992 1.00 0.00 C ATOM 1418 NH1 ARG A 84 20.960 -7.915 -4.782 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.213 -10.150 -4.331 1.00 0.00 N ATOM 0 H ARG A 84 14.844 -7.045 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 84 17.311 -5.476 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.324 -8.159 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.089 -7.248 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.623 -7.141 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.380 -8.783 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.079 -7.000 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.282 -6.927 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 84 19.896 -9.638 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.598 -6.996 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.492 -8.032 -5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.046 -10.955 -3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.744 -10.261 -5.195 1.00 0.00 H new ATOM 1433 N GLY A 85 15.656 -3.927 -2.136 1.00 0.00 N ATOM 1434 CA GLY A 85 15.028 -3.043 -3.100 1.00 0.00 C ATOM 1435 C GLY A 85 13.534 -3.276 -3.210 1.00 0.00 C ATOM 1436 O GLY A 85 13.046 -3.749 -4.237 1.00 0.00 O ATOM 0 H GLY A 85 15.955 -3.475 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.211 -2.008 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.489 -3.189 -4.077 1.00 0.00 H new ATOM 1440 N ALA A 86 12.806 -2.943 -2.149 1.00 0.00 N ATOM 1441 CA ALA A 86 11.360 -3.118 -2.131 1.00 0.00 C ATOM 1442 C ALA A 86 10.641 -1.822 -2.495 1.00 0.00 C ATOM 1443 O ALA A 86 9.470 -1.641 -2.168 1.00 0.00 O ATOM 1444 CB ALA A 86 10.907 -3.605 -0.762 1.00 0.00 C ATOM 0 H ALA A 86 13.194 -2.551 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 86 11.102 -3.867 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.824 -3.732 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.385 -4.559 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.187 -2.873 -0.004 1.00 0.00 H new ATOM 1450 N GLU A 87 11.350 -0.921 -3.169 1.00 0.00 N ATOM 1451 CA GLU A 87 10.775 0.359 -3.570 1.00 0.00 C ATOM 1452 C GLU A 87 10.044 0.239 -4.904 1.00 0.00 C ATOM 1453 O GLU A 87 10.405 -0.577 -5.752 1.00 0.00 O ATOM 1454 CB GLU A 87 11.868 1.424 -3.668 1.00 0.00 C ATOM 1455 CG GLU A 87 12.704 1.555 -2.404 1.00 0.00 C ATOM 1456 CD GLU A 87 14.177 1.292 -2.647 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.497 0.297 -3.331 1.00 0.00 O ATOM 1458 OE2 GLU A 87 15.011 2.079 -2.152 1.00 0.00 O ATOM 0 H GLU A 87 12.322 -1.053 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 87 10.053 0.656 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.524 1.184 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.407 2.386 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.581 2.557 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.333 0.856 -1.654 1.00 0.00 H new ATOM 1465 N ILE A 88 9.017 1.063 -5.082 1.00 0.00 N ATOM 1466 CA ILE A 88 8.233 1.059 -6.311 1.00 0.00 C ATOM 1467 C ILE A 88 8.007 2.477 -6.819 1.00 0.00 C ATOM 1468 O ILE A 88 8.466 3.444 -6.211 1.00 0.00 O ATOM 1469 CB ILE A 88 6.864 0.380 -6.107 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.065 1.103 -5.021 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.046 -1.087 -5.755 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.648 1.426 -5.436 1.00 0.00 C ATOM 0 H ILE A 88 8.708 1.744 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 88 8.805 0.493 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 88 6.304 0.440 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.041 0.484 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.578 2.027 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.070 -1.551 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.575 -1.592 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.624 -1.171 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.138 1.938 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.664 2.070 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.119 0.503 -5.673 1.00 0.00 H new ATOM 1484 N LEU A 89 7.295 2.595 -7.935 1.00 0.00 N ATOM 1485 CA LEU A 89 7.006 3.899 -8.518 1.00 0.00 C ATOM 1486 C LEU A 89 5.628 4.392 -8.082 1.00 0.00 C ATOM 1487 O LEU A 89 4.685 3.607 -7.977 1.00 0.00 O ATOM 1488 CB LEU A 89 7.080 3.830 -10.045 1.00 0.00 C ATOM 1489 CG LEU A 89 6.144 2.811 -10.698 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.674 3.308 -12.057 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.832 1.460 -10.827 1.00 0.00 C ATOM 0 H LEU A 89 6.909 1.805 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 89 7.756 4.605 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.854 4.817 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.105 3.595 -10.333 1.00 0.00 H new ATOM 0 HG LEU A 89 5.269 2.690 -10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.010 2.569 -12.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.139 4.250 -11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.536 3.461 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.151 0.748 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.726 1.564 -11.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.113 1.099 -9.838 1.00 0.00 H new ATOM 1503 N PRO A 90 5.491 5.703 -7.814 1.00 0.00 N ATOM 1504 CA PRO A 90 4.219 6.292 -7.380 1.00 0.00 C ATOM 1505 C PRO A 90 3.143 6.233 -8.462 1.00 0.00 C ATOM 1506 O PRO A 90 1.962 6.446 -8.185 1.00 0.00 O ATOM 1507 CB PRO A 90 4.582 7.748 -7.070 1.00 0.00 C ATOM 1508 CG PRO A 90 5.813 8.012 -7.864 1.00 0.00 C ATOM 1509 CD PRO A 90 6.563 6.710 -7.908 1.00 0.00 C ATOM 0 HA PRO A 90 3.797 5.753 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.776 8.425 -7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.760 7.893 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.564 8.353 -8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.415 8.794 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.135 6.605 -8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.270 6.624 -7.083 1.00 0.00 H new ATOM 1517 N ARG A 91 3.555 5.943 -9.692 1.00 0.00 N ATOM 1518 CA ARG A 91 2.632 5.859 -10.806 1.00 0.00 C ATOM 1519 C ARG A 91 1.797 4.582 -10.712 1.00 0.00 C ATOM 1520 O ARG A 91 0.570 4.623 -10.813 1.00 0.00 O ATOM 1521 CB ARG A 91 3.431 5.917 -12.112 1.00 0.00 C ATOM 1522 CG ARG A 91 2.760 5.254 -13.297 1.00 0.00 C ATOM 1523 CD ARG A 91 1.835 6.218 -14.021 1.00 0.00 C ATOM 1524 NE ARG A 91 0.465 6.154 -13.515 1.00 0.00 N ATOM 1525 CZ ARG A 91 -0.436 7.119 -13.692 1.00 0.00 C ATOM 1526 NH1 ARG A 91 -0.120 8.219 -14.362 1.00 0.00 N ATOM 1527 NH2 ARG A 91 -1.660 6.981 -13.197 1.00 0.00 N ATOM 0 H ARG A 91 4.528 5.762 -9.938 1.00 0.00 H new ATOM 0 HA ARG A 91 1.937 6.698 -10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.622 6.961 -12.358 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.400 5.445 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.519 4.887 -13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.192 4.388 -12.958 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.214 7.234 -13.911 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.838 5.990 -15.087 1.00 0.00 H new ATOM 0 HE ARG A 91 0.183 5.322 -12.996 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.818 8.330 -14.746 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.815 8.954 -14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.910 6.137 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.351 7.719 -13.332 1.00 0.00 H new ATOM 1541 N GLN A 92 2.468 3.451 -10.515 1.00 0.00 N ATOM 1542 CA GLN A 92 1.785 2.167 -10.404 1.00 0.00 C ATOM 1543 C GLN A 92 0.907 2.130 -9.157 1.00 0.00 C ATOM 1544 O GLN A 92 -0.230 1.657 -9.196 1.00 0.00 O ATOM 1545 CB GLN A 92 2.803 1.023 -10.361 1.00 0.00 C ATOM 1546 CG GLN A 92 2.874 0.224 -11.652 1.00 0.00 C ATOM 1547 CD GLN A 92 2.289 -1.167 -11.510 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.795 -1.992 -10.750 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.215 -1.435 -12.245 1.00 0.00 N ATOM 0 H GLN A 92 3.483 3.398 -10.429 1.00 0.00 H new ATOM 0 HA GLN A 92 1.150 2.042 -11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.789 1.433 -10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.548 0.351 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.340 0.760 -12.437 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.914 0.146 -11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.828 -0.721 -12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.777 -2.355 -12.192 1.00 0.00 H new ATOM 1558 N PHE A 93 1.444 2.636 -8.052 1.00 0.00 N ATOM 1559 CA PHE A 93 0.717 2.670 -6.788 1.00 0.00 C ATOM 1560 C PHE A 93 -0.603 3.413 -6.950 1.00 0.00 C ATOM 1561 O PHE A 93 -1.667 2.889 -6.621 1.00 0.00 O ATOM 1562 CB PHE A 93 1.565 3.340 -5.706 1.00 0.00 C ATOM 1563 CG PHE A 93 0.964 3.251 -4.333 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.178 3.969 -4.014 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.541 2.451 -3.359 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.732 3.889 -2.751 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.991 2.368 -2.096 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.147 3.088 -1.790 1.00 0.00 C ATOM 0 H PHE A 93 2.384 3.030 -8.006 1.00 0.00 H new ATOM 0 HA PHE A 93 0.505 1.644 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.553 2.879 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.707 4.389 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.640 4.598 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.432 1.886 -3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.622 4.453 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.450 1.740 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.578 3.025 -0.802 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.528 4.633 -7.471 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.724 5.436 -7.685 1.00 0.00 C ATOM 1580 C GLU A 94 -2.549 4.868 -8.836 1.00 0.00 C ATOM 1581 O GLU A 94 -3.744 5.141 -8.946 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.353 6.895 -7.963 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.786 7.845 -6.858 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.629 8.290 -5.985 1.00 0.00 C ATOM 1585 OE1 GLU A 94 0.034 9.287 -6.341 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.386 7.641 -4.945 1.00 0.00 O ATOM 0 H GLU A 94 0.343 5.084 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.326 5.402 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.274 6.970 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.811 7.207 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.259 8.721 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.537 7.356 -6.238 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.910 4.062 -9.684 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.598 3.447 -10.809 1.00 0.00 C ATOM 1595 C GLU A 95 -3.717 2.554 -10.297 1.00 0.00 C ATOM 1596 O GLU A 95 -4.862 2.660 -10.733 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.616 2.629 -11.650 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.662 2.962 -13.131 1.00 0.00 C ATOM 1599 CD GLU A 95 -1.206 1.809 -14.003 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.768 0.701 -13.864 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.288 2.012 -14.824 1.00 0.00 O ATOM 0 H GLU A 95 -0.921 3.823 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.022 4.231 -11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.605 2.797 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.832 1.569 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.680 3.240 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.032 3.830 -13.324 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.375 1.685 -9.353 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.348 0.787 -8.761 1.00 0.00 C ATOM 1610 C ILE A 96 -5.267 1.547 -7.817 1.00 0.00 C ATOM 1611 O ILE A 96 -6.452 1.237 -7.698 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.659 -0.345 -7.989 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.561 -0.971 -8.849 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.676 -1.393 -7.563 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.022 -1.347 -10.242 1.00 0.00 C ATOM 0 H ILE A 96 -2.429 1.586 -8.984 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.933 0.355 -9.573 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.202 0.067 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.729 -0.271 -8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.182 -1.862 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.171 -2.189 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.427 -0.932 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.160 -1.810 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.191 -1.785 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.834 -2.071 -10.174 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.374 -0.456 -10.762 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.710 2.558 -7.156 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.472 3.383 -6.229 1.00 0.00 C ATOM 1629 C TRP A 97 -6.723 3.923 -6.910 1.00 0.00 C ATOM 1630 O TRP A 97 -7.798 3.980 -6.313 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.609 4.542 -5.727 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.028 5.065 -4.387 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.395 6.345 -4.085 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.117 4.321 -3.168 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.710 6.442 -2.751 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.547 5.213 -2.165 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.875 2.988 -2.826 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.741 4.810 -0.845 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.067 2.590 -1.516 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.496 3.498 -0.540 1.00 0.00 C ATOM 0 H TRP A 97 -3.730 2.825 -7.247 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.771 2.769 -5.379 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.571 4.214 -5.671 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.648 5.354 -6.453 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.432 7.161 -4.791 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.015 7.290 -2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.544 2.281 -3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.073 5.507 -0.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.883 1.562 -1.241 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.637 3.156 0.475 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.572 4.303 -8.173 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.684 4.826 -8.956 1.00 0.00 C ATOM 1653 C GLU A 98 -8.471 3.687 -9.599 1.00 0.00 C ATOM 1654 O GLU A 98 -9.678 3.794 -9.813 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.171 5.780 -10.038 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.221 6.760 -10.532 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.629 8.102 -10.919 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.206 8.847 -10.010 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.590 8.407 -12.130 1.00 0.00 O ATOM 0 H GLU A 98 -5.687 4.258 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.346 5.374 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.321 6.338 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.806 5.196 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.736 6.332 -11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.970 6.908 -9.754 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.772 2.597 -9.906 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.391 1.432 -10.527 1.00 0.00 C ATOM 1668 C ARG A 99 -9.524 0.883 -9.665 1.00 0.00 C ATOM 1669 O ARG A 99 -10.640 0.683 -10.143 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.343 0.346 -10.773 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.324 -0.166 -12.205 1.00 0.00 C ATOM 1672 CD ARG A 99 -5.975 0.071 -12.865 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.924 1.354 -13.563 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.386 1.548 -14.797 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.942 0.548 -15.471 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.296 2.747 -15.356 1.00 0.00 N ATOM 0 H ARG A 99 -6.772 2.498 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.814 1.744 -11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.358 0.740 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.532 -0.490 -10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.552 -1.232 -12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.104 0.332 -12.781 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.191 0.039 -12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.771 -0.734 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.510 2.149 -13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.017 -0.375 -15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.294 0.703 -16.416 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.873 3.519 -14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.649 2.897 -16.301 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.228 0.635 -8.392 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.221 0.103 -7.466 1.00 0.00 C ATOM 1692 C CYS A 100 -11.170 1.200 -6.988 1.00 0.00 C ATOM 1693 O CYS A 100 -12.339 1.228 -7.369 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.532 -0.554 -6.268 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.242 -1.737 -6.719 1.00 0.00 S ATOM 0 H CYS A 100 -8.309 0.794 -7.979 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.807 -0.648 -7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.095 0.224 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.283 -1.064 -5.665 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.330 -1.759 -5.793 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.660 2.101 -6.155 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.480 3.183 -5.641 1.00 0.00 C ATOM 1703 C GLY A 101 -10.867 3.854 -4.427 1.00 0.00 C ATOM 1704 O GLY A 101 -11.572 4.192 -3.475 1.00 0.00 O ATOM 0 H GLY A 101 -9.694 2.102 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.629 3.925 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.464 2.795 -5.379 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.553 4.051 -4.459 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.870 4.689 -3.349 1.00 0.00 C ATOM 1710 C GLY A 102 -9.377 6.091 -3.090 1.00 0.00 C ATOM 1711 O GLY A 102 -9.665 6.453 -1.950 1.00 0.00 O ATOM 0 H GLY A 102 -8.949 3.780 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.001 4.086 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.800 4.725 -3.556 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.486 6.882 -4.150 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.961 8.252 -4.039 1.00 0.00 C ATOM 1717 C ILE A 103 -11.339 8.313 -3.387 1.00 0.00 C ATOM 1718 O ILE A 103 -11.649 9.251 -2.654 1.00 0.00 O ATOM 1719 CB ILE A 103 -10.026 8.925 -5.420 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.708 8.716 -6.165 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -10.337 10.405 -5.279 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.744 7.568 -7.147 1.00 0.00 C ATOM 0 H ILE A 103 -9.250 6.595 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.249 8.786 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.829 8.466 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.453 9.632 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.914 8.538 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.379 10.864 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.298 10.529 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.557 10.886 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.775 7.479 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.968 6.642 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.515 7.753 -7.895 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.164 7.307 -3.662 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.510 7.249 -3.102 1.00 0.00 C ATOM 1736 C GLN A 104 -13.461 7.027 -1.593 1.00 0.00 C ATOM 1737 O GLN A 104 -14.124 7.731 -0.830 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.314 6.132 -3.770 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.108 6.596 -4.980 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.245 7.298 -6.010 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.567 8.398 -6.459 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.143 6.663 -6.390 1.00 0.00 N ATOM 0 H GLN A 104 -11.925 6.522 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 104 -14.000 8.203 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.633 5.338 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.999 5.701 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.593 5.737 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.899 7.271 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.916 5.752 -5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.523 7.086 -7.081 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.672 6.046 -1.169 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.536 5.735 0.249 1.00 0.00 C ATOM 1753 C TYR A 105 -11.824 6.867 0.984 1.00 0.00 C ATOM 1754 O TYR A 105 -12.203 7.236 2.097 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.764 4.426 0.431 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.541 4.046 1.880 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.595 4.024 2.783 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.274 3.710 2.341 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.394 3.677 4.106 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.066 3.362 3.661 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.128 3.347 4.539 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.924 3.001 5.856 1.00 0.00 O ATOM 0 H TYR A 105 -12.117 5.453 -1.786 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.534 5.621 0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.307 3.622 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.797 4.513 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.588 4.282 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.439 3.721 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.224 3.665 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.075 3.103 4.004 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.421 2.161 5.899 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.791 7.414 0.353 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.022 8.504 0.939 1.00 0.00 C ATOM 1774 C LEU A 106 -10.859 9.776 1.027 1.00 0.00 C ATOM 1775 O LEU A 106 -10.942 10.404 2.083 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.757 8.758 0.118 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.461 8.805 0.927 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.362 10.112 1.697 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.370 7.616 1.871 1.00 0.00 C ATOM 0 H LEU A 106 -10.466 7.119 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.736 8.215 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.669 7.976 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.870 9.703 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.622 8.750 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.433 10.129 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.373 10.948 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.208 10.198 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.440 7.671 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.215 7.633 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.390 6.691 1.294 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.481 10.152 -0.088 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.314 11.347 -0.131 1.00 0.00 C ATOM 1793 C GLN A 107 -13.480 11.231 0.851 1.00 0.00 C ATOM 1794 O GLN A 107 -13.966 12.232 1.375 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.831 11.587 -1.555 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.962 10.657 -1.971 1.00 0.00 C ATOM 1797 CD GLN A 107 -15.270 11.392 -2.200 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -16.019 11.074 -3.124 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -15.552 12.379 -1.357 1.00 0.00 N ATOM 0 H GLN A 107 -11.423 9.646 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.704 12.201 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.175 12.618 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.003 11.471 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.679 10.134 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.106 9.899 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.902 12.609 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.418 12.907 -1.462 1.00 0.00 H new ATOM 1808 N SER A 108 -13.921 10.001 1.091 1.00 0.00 N ATOM 1809 CA SER A 108 -15.029 9.746 2.008 1.00 0.00 C ATOM 1810 C SER A 108 -14.623 10.066 3.442 1.00 0.00 C ATOM 1811 O SER A 108 -15.315 10.804 4.145 1.00 0.00 O ATOM 1812 CB SER A 108 -15.481 8.289 1.904 1.00 0.00 C ATOM 1813 OG SER A 108 -16.359 8.105 0.807 1.00 0.00 O ATOM 0 H SER A 108 -13.528 9.163 0.663 1.00 0.00 H new ATOM 0 HA SER A 108 -15.860 10.394 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.611 7.642 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.980 7.993 2.827 1.00 0.00 H new ATOM 0 HG SER A 108 -15.837 7.922 -0.002 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.488 9.520 3.868 1.00 0.00 N ATOM 1820 CA ALA A 109 -12.984 9.768 5.211 1.00 0.00 C ATOM 1821 C ALA A 109 -12.477 11.197 5.313 1.00 0.00 C ATOM 1822 O ALA A 109 -12.567 11.837 6.362 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.881 8.781 5.558 1.00 0.00 C ATOM 0 H ALA A 109 -12.903 8.905 3.303 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.796 9.631 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.517 8.982 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.273 7.765 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.061 8.887 4.848 1.00 0.00 H new ATOM 1829 N ILE A 110 -11.956 11.692 4.196 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.443 13.049 4.114 1.00 0.00 C ATOM 1831 C ILE A 110 -12.526 14.052 4.504 1.00 0.00 C ATOM 1832 O ILE A 110 -12.300 14.940 5.326 1.00 0.00 O ATOM 1833 CB ILE A 110 -10.935 13.341 2.682 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.479 12.904 2.540 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.084 14.809 2.325 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.059 12.659 1.107 1.00 0.00 C ATOM 0 H ILE A 110 -11.879 11.164 3.327 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.610 13.149 4.810 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.549 12.768 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.835 13.669 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.324 11.992 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.717 14.976 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.135 15.092 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.507 15.414 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.013 12.352 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.679 11.873 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.182 13.576 0.530 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.704 13.893 3.910 1.00 0.00 N ATOM 1849 CA GLU A 111 -14.829 14.773 4.197 1.00 0.00 C ATOM 1850 C GLU A 111 -15.344 14.537 5.611 1.00 0.00 C ATOM 1851 O GLU A 111 -15.749 15.472 6.300 1.00 0.00 O ATOM 1852 CB GLU A 111 -15.954 14.544 3.185 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.575 14.911 1.760 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.695 15.619 1.024 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.865 15.214 1.189 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.403 16.580 0.281 1.00 0.00 O ATOM 0 H GLU A 111 -13.904 13.162 3.227 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.487 15.805 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.250 13.495 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.824 15.129 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.693 15.552 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.302 14.007 1.216 1.00 0.00 H new ATOM 1863 N SER A 112 -15.321 13.277 6.036 1.00 0.00 N ATOM 1864 CA SER A 112 -15.782 12.912 7.371 1.00 0.00 C ATOM 1865 C SER A 112 -14.767 13.319 8.439 1.00 0.00 C ATOM 1866 O SER A 112 -15.052 13.246 9.634 1.00 0.00 O ATOM 1867 CB SER A 112 -16.039 11.406 7.447 1.00 0.00 C ATOM 1868 OG SER A 112 -17.025 11.009 6.510 1.00 0.00 O ATOM 0 H SER A 112 -14.988 12.492 5.475 1.00 0.00 H new ATOM 0 HA SER A 112 -16.712 13.448 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.112 10.866 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.361 11.139 8.454 1.00 0.00 H new ATOM 0 HG SER A 112 -16.611 10.892 5.629 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.580 13.745 8.003 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.525 14.162 8.923 1.00 0.00 C ATOM 1876 C ARG A 113 -11.943 12.965 9.667 1.00 0.00 C ATOM 1877 O ARG A 113 -11.649 13.044 10.859 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.054 15.195 9.924 1.00 0.00 C ATOM 1879 CG ARG A 113 -13.768 16.366 9.271 1.00 0.00 C ATOM 1880 CD ARG A 113 -12.841 17.151 8.355 1.00 0.00 C ATOM 1881 NE ARG A 113 -12.713 18.547 8.768 1.00 0.00 N ATOM 1882 CZ ARG A 113 -11.861 18.970 9.701 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.062 18.112 10.323 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -11.810 20.259 10.014 1.00 0.00 N ATOM 0 H ARG A 113 -13.327 13.810 7.017 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.732 14.620 8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.739 14.702 10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.221 15.573 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.620 15.999 8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.163 17.027 10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.856 16.683 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.220 17.109 7.334 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.311 19.238 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.097 17.120 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.413 18.445 11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.422 20.923 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.159 20.585 10.728 1.00 0.00 H new ATOM 1898 N GLN A 114 -11.776 11.857 8.952 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.228 10.642 9.542 1.00 0.00 C ATOM 1900 C GLN A 114 -9.844 10.337 8.971 1.00 0.00 C ATOM 1901 O GLN A 114 -9.006 9.734 9.641 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.167 9.459 9.294 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.572 9.676 9.833 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.192 8.402 10.372 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -13.955 8.017 11.515 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.993 7.740 9.545 1.00 0.00 N ATOM 0 H GLN A 114 -12.013 11.776 7.963 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.132 10.801 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.223 9.268 8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.744 8.567 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.542 10.424 10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.204 10.076 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.162 8.096 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -15.439 6.875 9.851 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.613 10.757 7.730 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.333 10.530 7.071 1.00 0.00 C ATOM 1917 C ALA A 115 -7.186 11.143 7.870 1.00 0.00 C ATOM 1918 O ALA A 115 -7.356 11.519 9.029 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.360 11.097 5.661 1.00 0.00 C ATOM 0 H ALA A 115 -10.297 11.256 7.161 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.166 9.454 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.398 10.921 5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.148 10.608 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.554 12.169 5.703 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.018 11.238 7.243 1.00 0.00 N ATOM 1926 CA ARG A 116 -4.843 11.805 7.897 1.00 0.00 C ATOM 1927 C ARG A 116 -4.150 12.822 6.993 1.00 0.00 C ATOM 1928 O ARG A 116 -3.311 12.459 6.168 1.00 0.00 O ATOM 1929 CB ARG A 116 -3.863 10.696 8.278 1.00 0.00 C ATOM 1930 CG ARG A 116 -2.938 11.070 9.425 1.00 0.00 C ATOM 1931 CD ARG A 116 -2.693 9.893 10.354 1.00 0.00 C ATOM 1932 NE ARG A 116 -1.399 9.985 11.026 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.086 9.309 12.130 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.969 8.490 12.688 1.00 0.00 N ATOM 1935 NH2 ARG A 116 0.114 9.452 12.676 1.00 0.00 N ATOM 0 H ARG A 116 -5.859 10.930 6.284 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.174 12.317 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.426 9.804 8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.262 10.439 7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -1.987 11.423 9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.373 11.895 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.486 9.849 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.740 8.965 9.784 1.00 0.00 H new ATOM 0 HE ARG A 116 -0.694 10.604 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.893 8.376 12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.724 7.975 13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.796 10.079 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.355 8.935 13.522 1.00 0.00 H new ATOM 1949 N PRO A 117 -4.489 14.115 7.137 1.00 0.00 N ATOM 1950 CA PRO A 117 -3.889 15.185 6.330 1.00 0.00 C ATOM 1951 C PRO A 117 -2.364 15.153 6.376 1.00 0.00 C ATOM 1952 O PRO A 117 -1.747 15.792 7.227 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.416 16.464 6.986 1.00 0.00 C ATOM 1954 CG PRO A 117 -5.684 16.056 7.651 1.00 0.00 C ATOM 1955 CD PRO A 117 -5.478 14.636 8.100 1.00 0.00 C ATOM 0 HA PRO A 117 -4.147 15.095 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.702 16.862 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.591 17.245 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.907 16.705 8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.526 16.129 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.107 14.588 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.407 14.066 8.071 1.00 0.00 H new ATOM 1963 N THR A 118 -1.761 14.402 5.457 1.00 0.00 N ATOM 1964 CA THR A 118 -0.307 14.289 5.401 1.00 0.00 C ATOM 1965 C THR A 118 0.207 14.471 3.976 1.00 0.00 C ATOM 1966 O THR A 118 1.132 15.248 3.737 1.00 0.00 O ATOM 1967 CB THR A 118 0.139 12.930 5.947 1.00 0.00 C ATOM 1968 OG1 THR A 118 1.537 12.764 5.791 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.539 11.759 5.269 1.00 0.00 C ATOM 0 H THR A 118 -2.255 13.865 4.744 1.00 0.00 H new ATOM 0 HA THR A 118 0.115 15.081 6.019 1.00 0.00 H new ATOM 0 HB THR A 118 -0.146 12.934 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.804 11.891 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.177 10.827 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.617 11.831 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.312 11.774 4.203 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.390 13.749 3.034 1.00 0.00 N ATOM 1978 CA TYR A 119 0.016 13.835 1.635 1.00 0.00 C ATOM 1979 C TYR A 119 -1.052 13.253 0.715 1.00 0.00 C ATOM 1980 O TYR A 119 -1.612 13.955 -0.126 1.00 0.00 O ATOM 1981 CB TYR A 119 1.343 13.100 1.421 1.00 0.00 C ATOM 1982 CG TYR A 119 1.826 13.116 -0.012 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.212 12.330 -0.981 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.893 13.916 -0.398 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.650 12.342 -2.293 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.336 13.935 -1.708 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.711 13.147 -2.650 1.00 0.00 C ATOM 1988 OH TYR A 119 3.149 13.162 -3.954 1.00 0.00 O ATOM 0 H TYR A 119 -1.155 13.099 3.213 1.00 0.00 H new ATOM 0 HA TYR A 119 0.145 14.889 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 119 2.105 13.552 2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.231 12.065 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.380 11.700 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.386 14.534 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.164 11.724 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.167 14.564 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 119 3.903 13.782 -4.039 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.323 11.961 0.877 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.317 11.279 0.056 1.00 0.00 C ATOM 2000 C ALA A 120 -3.660 11.998 0.095 1.00 0.00 C ATOM 2001 O ALA A 120 -4.355 12.089 -0.915 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.476 9.838 0.509 1.00 0.00 C ATOM 0 H ALA A 120 -0.868 11.366 1.569 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.963 11.290 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.221 9.341 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.522 9.320 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.800 9.817 1.550 1.00 0.00 H new ATOM 2008 N THR A 121 -4.023 12.509 1.266 1.00 0.00 N ATOM 2009 CA THR A 121 -5.286 13.217 1.426 1.00 0.00 C ATOM 2010 C THR A 121 -5.272 14.528 0.645 1.00 0.00 C ATOM 2011 O THR A 121 -6.235 14.861 -0.045 1.00 0.00 O ATOM 2012 CB THR A 121 -5.567 13.488 2.904 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.359 13.688 3.620 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.328 12.366 3.579 1.00 0.00 C ATOM 0 H THR A 121 -3.462 12.446 2.116 1.00 0.00 H new ATOM 0 HA THR A 121 -6.081 12.585 1.030 1.00 0.00 H new ATOM 0 HB THR A 121 -6.183 14.387 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.308 13.049 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.496 12.619 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.287 12.226 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.749 11.445 3.517 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.170 15.265 0.751 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.031 16.533 0.046 1.00 0.00 C ATOM 2024 C ALA A 122 -4.079 16.319 -1.461 1.00 0.00 C ATOM 2025 O ALA A 122 -4.931 16.878 -2.159 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.732 17.218 0.445 1.00 0.00 C ATOM 0 H ALA A 122 -3.362 15.006 1.317 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.865 17.176 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.641 18.164 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.735 17.406 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.889 16.575 0.191 1.00 0.00 H new ATOM 2032 N MET A 123 -3.161 15.498 -1.957 1.00 0.00 N ATOM 2033 CA MET A 123 -3.098 15.195 -3.381 1.00 0.00 C ATOM 2034 C MET A 123 -4.451 14.702 -3.882 1.00 0.00 C ATOM 2035 O MET A 123 -4.808 14.922 -5.038 1.00 0.00 O ATOM 2036 CB MET A 123 -1.999 14.169 -3.665 1.00 0.00 C ATOM 2037 CG MET A 123 -2.072 12.932 -2.787 1.00 0.00 C ATOM 2038 SD MET A 123 -2.397 11.430 -3.730 1.00 0.00 S ATOM 2039 CE MET A 123 -3.765 11.969 -4.749 1.00 0.00 C ATOM 0 H MET A 123 -2.450 15.030 -1.394 1.00 0.00 H new ATOM 0 HA MET A 123 -2.851 16.110 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.060 13.865 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.028 14.644 -3.527 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.133 12.820 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.856 13.066 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.015 11.187 -5.466 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.630 12.173 -4.118 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.485 12.876 -5.284 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.213 14.053 -3.001 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.536 13.560 -3.367 1.00 0.00 C ATOM 2051 C LEU A 124 -7.467 14.730 -3.642 1.00 0.00 C ATOM 2052 O LEU A 124 -8.120 14.791 -4.686 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.120 12.680 -2.259 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.943 11.486 -2.751 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.252 10.179 -2.397 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.348 11.527 -2.167 1.00 0.00 C ATOM 0 H LEU A 124 -4.938 13.859 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.437 12.955 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.303 12.309 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.750 13.297 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.023 11.547 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.852 9.342 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.269 10.148 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.139 10.108 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.917 10.671 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.291 11.492 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.843 12.448 -2.475 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.507 15.671 -2.703 1.00 0.00 N ATOM 2069 CA GLN A 125 -8.343 16.856 -2.845 1.00 0.00 C ATOM 2070 C GLN A 125 -8.106 17.492 -4.207 1.00 0.00 C ATOM 2071 O GLN A 125 -9.035 17.975 -4.854 1.00 0.00 O ATOM 2072 CB GLN A 125 -8.038 17.864 -1.732 1.00 0.00 C ATOM 2073 CG GLN A 125 -9.000 17.781 -0.558 1.00 0.00 C ATOM 2074 CD GLN A 125 -8.299 17.473 0.751 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -7.883 18.378 1.473 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -8.166 16.189 1.063 1.00 0.00 N ATOM 0 H GLN A 125 -6.970 15.635 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.389 16.560 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.023 17.699 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.069 18.872 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -9.536 18.726 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -9.744 17.010 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.526 15.471 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.703 15.920 1.932 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.852 17.462 -4.641 1.00 0.00 N ATOM 2086 CA ASN A 126 -6.484 18.012 -5.939 1.00 0.00 C ATOM 2087 C ASN A 126 -6.764 16.992 -7.036 1.00 0.00 C ATOM 2088 O ASN A 126 -7.101 17.352 -8.165 1.00 0.00 O ATOM 2089 CB ASN A 126 -5.009 18.413 -5.957 1.00 0.00 C ATOM 2090 CG ASN A 126 -4.733 19.641 -5.111 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -5.654 20.270 -4.590 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.460 19.989 -4.973 1.00 0.00 N ATOM 0 H ASN A 126 -6.075 17.064 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.085 18.903 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.405 17.582 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.700 18.606 -6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.212 20.807 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.729 19.438 -5.423 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.637 15.714 -6.690 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.892 14.637 -7.638 1.00 0.00 C ATOM 2101 C LEU A 127 -8.340 14.678 -8.117 1.00 0.00 C ATOM 2102 O LEU A 127 -8.677 14.099 -9.150 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.597 13.281 -6.993 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.974 12.239 -7.924 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.454 12.286 -7.843 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.486 10.846 -7.583 1.00 0.00 C ATOM 0 H LEU A 127 -6.359 15.400 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.234 14.773 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.927 13.437 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.527 12.877 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.268 12.473 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.031 11.537 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.104 13.275 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.138 12.079 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.033 10.117 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.223 10.603 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.570 10.819 -7.696 1.00 0.00 H new ATOM 2118 N LEU A 128 -9.194 15.366 -7.360 1.00 0.00 N ATOM 2119 CA LEU A 128 -10.604 15.478 -7.712 1.00 0.00 C ATOM 2120 C LEU A 128 -11.090 16.917 -7.577 1.00 0.00 C ATOM 2121 O LEU A 128 -11.728 17.277 -6.587 1.00 0.00 O ATOM 2122 CB LEU A 128 -11.447 14.558 -6.831 1.00 0.00 C ATOM 2123 CG LEU A 128 -11.156 14.669 -5.336 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -12.267 15.427 -4.628 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.970 13.289 -4.724 1.00 0.00 C ATOM 0 H LEU A 128 -8.933 15.852 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.715 15.174 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -12.501 14.780 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.284 13.527 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.229 15.227 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.040 15.495 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -12.347 16.430 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -13.211 14.900 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.763 13.388 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.878 12.703 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.135 12.785 -5.210 1.00 0.00 H new ATOM 2137 N LYS A 129 -10.784 17.736 -8.575 1.00 0.00 N ATOM 2138 CA LYS A 129 -11.190 19.135 -8.568 1.00 0.00 C ATOM 2139 C LYS A 129 -12.696 19.266 -8.771 1.00 0.00 C ATOM 2140 O LYS A 129 -13.398 19.600 -7.793 1.00 0.00 O ATOM 2141 CB LYS A 129 -10.449 19.910 -9.660 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.968 20.098 -9.375 1.00 0.00 C ATOM 2143 CD LYS A 129 -8.738 20.756 -8.023 1.00 0.00 C ATOM 2144 CE LYS A 129 -7.679 21.844 -8.106 1.00 0.00 C ATOM 2145 NZ LYS A 129 -8.035 23.028 -7.277 1.00 0.00 N ATOM 2146 OXT LYS A 129 -13.161 19.030 -9.905 1.00 0.00 O ATOM 0 H LYS A 129 -10.255 17.455 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.934 19.555 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -10.564 19.385 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -10.915 20.888 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -8.466 19.131 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -8.521 20.709 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -9.673 21.184 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -8.431 20.002 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.721 21.444 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.555 22.152 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.288 23.747 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -8.937 23.425 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -8.129 22.740 -6.282 1.00 0.00 H new TER 2160 LYS A 129