USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -125:sc= 0.0111 (180deg=-0.191) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.997 USER MOD Single : A 20 SER OG : rot 101:sc= 1.21 USER MOD Single : A 22 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.08! K(o=-3.1!,f=-2.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 38 THR OG1 : rot 180:sc= -8.39! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.0276 (180deg=-0.452) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.05 K(o=-1,f=-4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 52 LYS NZ :NH3+ -131:sc= -0.0167 (180deg=-0.248) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.19) USER MOD Single : A 57 TYR OH : rot -37:sc= -0.112 USER MOD Single : A 59 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0175) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0291) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.896 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.558 18.413 -1.457 1.00 0.00 N ATOM 2 CA MET A 1 -8.213 19.013 -1.220 1.00 0.00 C ATOM 3 C MET A 1 -7.223 18.526 -2.281 1.00 0.00 C ATOM 4 O MET A 1 -7.118 17.343 -2.547 1.00 0.00 O ATOM 5 CB MET A 1 -7.799 18.521 0.167 1.00 0.00 C ATOM 6 CG MET A 1 -6.857 19.540 0.811 1.00 0.00 C ATOM 7 SD MET A 1 -5.186 19.318 0.150 1.00 0.00 S ATOM 8 CE MET A 1 -4.421 20.726 0.992 1.00 0.00 C ATOM 0 H1 MET A 1 -10.222 18.751 -0.731 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.902 18.693 -2.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.489 17.376 -1.408 1.00 0.00 H new ATOM 0 HA MET A 1 -8.230 20.101 -1.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.681 18.379 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.305 17.553 0.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.207 20.553 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.851 19.413 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.366 20.781 0.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.921 21.646 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.514 20.599 2.071 1.00 0.00 H new ATOM 20 N LYS A 2 -6.498 19.431 -2.887 1.00 0.00 N ATOM 21 CA LYS A 2 -5.510 19.031 -3.934 1.00 0.00 C ATOM 22 C LYS A 2 -4.104 18.954 -3.333 1.00 0.00 C ATOM 23 O LYS A 2 -3.733 19.757 -2.497 1.00 0.00 O ATOM 24 CB LYS A 2 -5.583 20.134 -4.990 1.00 0.00 C ATOM 25 CG LYS A 2 -4.960 19.633 -6.294 1.00 0.00 C ATOM 26 CD LYS A 2 -3.476 20.005 -6.328 1.00 0.00 C ATOM 27 CE LYS A 2 -2.852 19.502 -7.631 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.687 20.398 -7.871 1.00 0.00 N ATOM 0 H LYS A 2 -6.548 20.433 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.729 18.050 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.620 20.424 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.057 21.022 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.077 18.552 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.475 20.073 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.360 21.086 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.961 19.567 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.538 18.462 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.564 19.551 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.207 20.115 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.017 21.381 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.023 20.325 -7.074 1.00 0.00 H new ATOM 42 N LYS A 3 -3.322 17.992 -3.754 1.00 0.00 N ATOM 43 CA LYS A 3 -1.937 17.853 -3.214 1.00 0.00 C ATOM 44 C LYS A 3 -0.948 18.623 -4.092 1.00 0.00 C ATOM 45 O LYS A 3 -0.971 18.519 -5.304 1.00 0.00 O ATOM 46 CB LYS A 3 -1.642 16.354 -3.260 1.00 0.00 C ATOM 47 CG LYS A 3 -1.921 15.733 -1.889 1.00 0.00 C ATOM 48 CD LYS A 3 -3.424 15.775 -1.605 1.00 0.00 C ATOM 49 CE LYS A 3 -3.712 15.080 -0.272 1.00 0.00 C ATOM 50 NZ LYS A 3 -3.324 16.072 0.769 1.00 0.00 N ATOM 0 H LYS A 3 -3.585 17.295 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.845 18.255 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.259 15.875 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.602 16.186 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.564 14.703 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.379 16.276 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.769 16.808 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.971 15.283 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.764 14.809 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.137 14.159 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.636 15.642 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.896 16.904 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.168 16.365 1.302 1.00 0.00 H new ATOM 64 N ASP A 4 -0.080 19.393 -3.487 1.00 0.00 N ATOM 65 CA ASP A 4 0.917 20.176 -4.277 1.00 0.00 C ATOM 66 C ASP A 4 2.265 19.439 -4.308 1.00 0.00 C ATOM 67 O ASP A 4 2.443 18.462 -3.608 1.00 0.00 O ATOM 68 CB ASP A 4 1.050 21.508 -3.536 1.00 0.00 C ATOM 69 CG ASP A 4 0.139 22.549 -4.187 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.064 22.450 -4.010 1.00 0.00 O ATOM 71 OD2 ASP A 4 0.660 23.430 -4.852 1.00 0.00 O ATOM 0 H ASP A 4 -0.019 19.513 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 4 0.607 20.315 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.782 21.381 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.085 21.849 -3.562 1.00 0.00 H new ATOM 76 N PRO A 5 3.180 19.925 -5.121 1.00 0.00 N ATOM 77 CA PRO A 5 4.514 19.280 -5.220 1.00 0.00 C ATOM 78 C PRO A 5 5.334 19.553 -3.955 1.00 0.00 C ATOM 79 O PRO A 5 6.181 18.766 -3.575 1.00 0.00 O ATOM 80 CB PRO A 5 5.150 19.948 -6.437 1.00 0.00 C ATOM 81 CG PRO A 5 4.464 21.272 -6.555 1.00 0.00 C ATOM 82 CD PRO A 5 3.071 21.096 -6.009 1.00 0.00 C ATOM 0 HA PRO A 5 4.459 18.196 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.225 20.071 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.007 19.348 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.003 22.037 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.432 21.599 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.741 21.981 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.348 20.926 -6.807 1.00 0.00 H new ATOM 90 N ASN A 6 5.085 20.660 -3.302 1.00 0.00 N ATOM 91 CA ASN A 6 5.846 20.990 -2.057 1.00 0.00 C ATOM 92 C ASN A 6 5.356 20.120 -0.896 1.00 0.00 C ATOM 93 O ASN A 6 6.127 19.719 -0.043 1.00 0.00 O ATOM 94 CB ASN A 6 5.548 22.466 -1.785 1.00 0.00 C ATOM 95 CG ASN A 6 6.387 23.337 -2.721 1.00 0.00 C ATOM 96 OD1 ASN A 6 7.504 23.693 -2.400 1.00 0.00 O ATOM 97 ND2 ASN A 6 5.893 23.699 -3.874 1.00 0.00 N ATOM 0 H ASN A 6 4.387 21.351 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 6 6.915 20.806 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.488 22.668 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.773 22.708 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.444 24.280 -4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.956 23.400 -4.144 1.00 0.00 H new ATOM 104 N ALA A 7 4.082 19.825 -0.862 1.00 0.00 N ATOM 105 CA ALA A 7 3.531 18.976 0.239 1.00 0.00 C ATOM 106 C ALA A 7 3.941 17.510 0.036 1.00 0.00 C ATOM 107 O ALA A 7 4.357 17.134 -1.043 1.00 0.00 O ATOM 108 CB ALA A 7 2.012 19.124 0.142 1.00 0.00 C ATOM 0 H ALA A 7 3.397 20.136 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 7 3.906 19.280 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.538 18.527 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.740 20.171 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.674 18.779 -0.835 1.00 0.00 H new ATOM 114 N PRO A 8 3.807 16.719 1.078 1.00 0.00 N ATOM 115 CA PRO A 8 4.164 15.292 0.989 1.00 0.00 C ATOM 116 C PRO A 8 3.082 14.487 0.264 1.00 0.00 C ATOM 117 O PRO A 8 1.901 14.749 0.399 1.00 0.00 O ATOM 118 CB PRO A 8 4.330 14.853 2.424 1.00 0.00 C ATOM 119 CG PRO A 8 3.568 15.829 3.239 1.00 0.00 C ATOM 120 CD PRO A 8 3.315 17.065 2.411 1.00 0.00 C ATOM 0 HA PRO A 8 5.071 15.128 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.950 13.842 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.382 14.842 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.623 15.393 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.126 16.086 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.255 17.318 2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.841 17.929 2.817 1.00 0.00 H new ATOM 128 N LYS A 9 3.486 13.520 -0.519 1.00 0.00 N ATOM 129 CA LYS A 9 2.497 12.693 -1.283 1.00 0.00 C ATOM 130 C LYS A 9 1.507 12.002 -0.339 1.00 0.00 C ATOM 131 O LYS A 9 1.742 11.881 0.849 1.00 0.00 O ATOM 132 CB LYS A 9 3.338 11.653 -2.027 1.00 0.00 C ATOM 133 CG LYS A 9 4.055 12.320 -3.205 1.00 0.00 C ATOM 134 CD LYS A 9 5.459 11.730 -3.354 1.00 0.00 C ATOM 135 CE LYS A 9 5.356 10.281 -3.835 1.00 0.00 C ATOM 136 NZ LYS A 9 5.446 10.364 -5.319 1.00 0.00 N ATOM 0 H LYS A 9 4.463 13.265 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 9 1.901 13.305 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.067 11.208 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.701 10.845 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.487 12.168 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.117 13.396 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.039 12.320 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.985 11.771 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.160 9.670 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.417 9.826 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.383 9.408 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.665 10.946 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.353 10.795 -5.588 1.00 0.00 H new ATOM 150 N ARG A 10 0.402 11.546 -0.874 1.00 0.00 N ATOM 151 CA ARG A 10 -0.623 10.854 -0.030 1.00 0.00 C ATOM 152 C ARG A 10 -0.008 9.619 0.652 1.00 0.00 C ATOM 153 O ARG A 10 0.887 9.005 0.108 1.00 0.00 O ATOM 154 CB ARG A 10 -1.743 10.443 -0.996 1.00 0.00 C ATOM 155 CG ARG A 10 -1.181 9.542 -2.101 1.00 0.00 C ATOM 156 CD ARG A 10 -2.321 8.740 -2.735 1.00 0.00 C ATOM 157 NE ARG A 10 -3.218 9.760 -3.348 1.00 0.00 N ATOM 158 CZ ARG A 10 -4.000 9.430 -4.339 1.00 0.00 C ATOM 159 NH1 ARG A 10 -3.554 9.472 -5.565 1.00 0.00 N ATOM 160 NH2 ARG A 10 -5.228 9.058 -4.105 1.00 0.00 N ATOM 0 H ARG A 10 0.164 11.623 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.999 11.498 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.528 9.918 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.198 11.330 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.682 10.146 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.432 8.866 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.944 8.044 -3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.850 8.148 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.221 10.716 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.594 9.763 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.166 9.214 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.577 9.025 -3.147 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.839 8.800 -4.880 1.00 0.00 H new ATOM 174 N PRO A 11 -0.499 9.295 1.830 1.00 0.00 N ATOM 175 CA PRO A 11 0.037 8.126 2.569 1.00 0.00 C ATOM 176 C PRO A 11 -0.516 6.810 1.987 1.00 0.00 C ATOM 177 O PRO A 11 -1.713 6.600 1.996 1.00 0.00 O ATOM 178 CB PRO A 11 -0.476 8.334 3.991 1.00 0.00 C ATOM 179 CG PRO A 11 -1.706 9.175 3.851 1.00 0.00 C ATOM 180 CD PRO A 11 -1.576 9.969 2.577 1.00 0.00 C ATOM 0 HA PRO A 11 1.123 8.053 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.704 7.382 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.271 8.831 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.597 8.548 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.813 9.841 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.509 9.971 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.326 11.010 2.782 1.00 0.00 H new ATOM 188 N PRO A 12 0.365 5.951 1.508 1.00 0.00 N ATOM 189 CA PRO A 12 -0.087 4.653 0.943 1.00 0.00 C ATOM 190 C PRO A 12 -0.565 3.732 2.071 1.00 0.00 C ATOM 191 O PRO A 12 -0.795 4.176 3.180 1.00 0.00 O ATOM 192 CB PRO A 12 1.164 4.092 0.275 1.00 0.00 C ATOM 193 CG PRO A 12 2.306 4.737 0.990 1.00 0.00 C ATOM 194 CD PRO A 12 1.830 6.092 1.442 1.00 0.00 C ATOM 0 HA PRO A 12 -0.920 4.751 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.206 3.006 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.182 4.326 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.618 4.133 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.170 4.831 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.249 6.359 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.125 6.873 0.741 1.00 0.00 H new ATOM 202 N SER A 13 -0.722 2.457 1.799 1.00 0.00 N ATOM 203 CA SER A 13 -1.191 1.520 2.866 1.00 0.00 C ATOM 204 C SER A 13 -1.022 0.060 2.441 1.00 0.00 C ATOM 205 O SER A 13 -1.920 -0.742 2.612 1.00 0.00 O ATOM 206 CB SER A 13 -2.671 1.852 3.058 1.00 0.00 C ATOM 207 OG SER A 13 -3.372 1.586 1.851 1.00 0.00 O ATOM 0 H SER A 13 -0.547 2.029 0.890 1.00 0.00 H new ATOM 0 HA SER A 13 -0.614 1.637 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.086 1.258 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.788 2.899 3.337 1.00 0.00 H new ATOM 0 HG SER A 13 -4.322 1.796 1.971 1.00 0.00 H new ATOM 213 N ALA A 14 0.111 -0.295 1.869 1.00 0.00 N ATOM 214 CA ALA A 14 0.349 -1.707 1.403 1.00 0.00 C ATOM 215 C ALA A 14 -0.507 -1.995 0.174 1.00 0.00 C ATOM 216 O ALA A 14 0.005 -2.098 -0.926 1.00 0.00 O ATOM 217 CB ALA A 14 -0.015 -2.650 2.565 1.00 0.00 C ATOM 0 H ALA A 14 0.890 0.342 1.703 1.00 0.00 H new ATOM 0 HA ALA A 14 1.391 -1.856 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.147 -3.684 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.613 -2.424 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.062 -2.510 2.832 1.00 0.00 H new ATOM 223 N PHE A 15 -1.800 -2.132 0.339 1.00 0.00 N ATOM 224 CA PHE A 15 -2.676 -2.420 -0.843 1.00 0.00 C ATOM 225 C PHE A 15 -2.516 -1.328 -1.910 1.00 0.00 C ATOM 226 O PHE A 15 -2.772 -1.555 -3.079 1.00 0.00 O ATOM 227 CB PHE A 15 -4.110 -2.432 -0.300 1.00 0.00 C ATOM 228 CG PHE A 15 -5.071 -2.768 -1.420 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.895 -3.940 -2.166 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.132 -1.904 -1.716 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.778 -4.247 -3.208 1.00 0.00 C ATOM 232 CE2 PHE A 15 -7.018 -2.213 -2.756 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.840 -3.384 -3.503 1.00 0.00 C ATOM 0 H PHE A 15 -2.285 -2.058 1.233 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.415 -3.367 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.200 -3.164 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.357 -1.460 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.077 -4.608 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.267 -0.999 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.640 -5.150 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.839 -1.548 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.522 -3.621 -4.306 1.00 0.00 H new ATOM 243 N PHE A 16 -2.100 -0.150 -1.517 1.00 0.00 N ATOM 244 CA PHE A 16 -1.928 0.950 -2.511 1.00 0.00 C ATOM 245 C PHE A 16 -0.658 0.730 -3.327 1.00 0.00 C ATOM 246 O PHE A 16 -0.611 1.049 -4.499 1.00 0.00 O ATOM 247 CB PHE A 16 -1.835 2.236 -1.688 1.00 0.00 C ATOM 248 CG PHE A 16 -2.360 3.394 -2.502 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.591 3.923 -3.545 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.618 3.938 -2.213 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.080 4.997 -4.299 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.106 5.013 -2.967 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.336 5.541 -4.010 1.00 0.00 C ATOM 0 H PHE A 16 -1.873 0.096 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.754 0.993 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.411 2.134 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.801 2.421 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.621 3.503 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.212 3.529 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.487 5.406 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.075 5.434 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.712 6.369 -4.592 1.00 0.00 H new ATOM 263 N LEU A 17 0.360 0.153 -2.734 1.00 0.00 N ATOM 264 CA LEU A 17 1.611 -0.122 -3.507 1.00 0.00 C ATOM 265 C LEU A 17 1.252 -1.121 -4.613 1.00 0.00 C ATOM 266 O LEU A 17 1.123 -0.755 -5.765 1.00 0.00 O ATOM 267 CB LEU A 17 2.595 -0.729 -2.496 1.00 0.00 C ATOM 268 CG LEU A 17 3.318 0.376 -1.709 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.131 1.249 -2.664 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.298 1.249 -0.969 1.00 0.00 C ATOM 0 H LEU A 17 0.379 -0.137 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 17 2.051 0.761 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.059 -1.382 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.325 -1.347 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 17 3.986 -0.091 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.640 2.030 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.869 0.634 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.465 1.707 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.821 2.029 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.621 1.708 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.726 0.632 -0.276 1.00 0.00 H new ATOM 282 N PHE A 18 1.089 -2.380 -4.247 1.00 0.00 N ATOM 283 CA PHE A 18 0.719 -3.465 -5.229 1.00 0.00 C ATOM 284 C PHE A 18 -0.231 -2.930 -6.325 1.00 0.00 C ATOM 285 O PHE A 18 0.055 -3.042 -7.502 1.00 0.00 O ATOM 286 CB PHE A 18 0.031 -4.529 -4.362 1.00 0.00 C ATOM 287 CG PHE A 18 -0.502 -5.660 -5.216 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.358 -6.672 -5.661 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.861 -5.700 -5.546 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.144 -7.723 -6.441 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.362 -6.752 -6.321 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.504 -7.763 -6.769 1.00 0.00 C ATOM 0 H PHE A 18 1.200 -2.707 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 18 1.583 -3.858 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.738 -4.922 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.786 -4.075 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.406 -6.643 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.523 -4.919 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.519 -8.502 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.412 -6.784 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.891 -8.574 -7.368 1.00 0.00 H new ATOM 302 N CYS A 19 -1.350 -2.351 -5.951 1.00 0.00 N ATOM 303 CA CYS A 19 -2.290 -1.816 -6.984 1.00 0.00 C ATOM 304 C CYS A 19 -1.612 -0.706 -7.795 1.00 0.00 C ATOM 305 O CYS A 19 -1.705 -0.667 -9.008 1.00 0.00 O ATOM 306 CB CYS A 19 -3.482 -1.258 -6.196 1.00 0.00 C ATOM 307 SG CYS A 19 -4.744 -0.645 -7.343 1.00 0.00 S ATOM 0 H CYS A 19 -1.649 -2.228 -4.984 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.599 -2.583 -7.694 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.904 -2.035 -5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.151 -0.452 -5.541 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.752 -0.176 -6.669 1.00 0.00 H new ATOM 313 N SER A 20 -0.942 0.200 -7.130 1.00 0.00 N ATOM 314 CA SER A 20 -0.263 1.323 -7.854 1.00 0.00 C ATOM 315 C SER A 20 0.735 0.787 -8.886 1.00 0.00 C ATOM 316 O SER A 20 0.949 1.394 -9.918 1.00 0.00 O ATOM 317 CB SER A 20 0.468 2.123 -6.776 1.00 0.00 C ATOM 318 OG SER A 20 -0.464 2.951 -6.093 1.00 0.00 O ATOM 0 H SER A 20 -0.834 0.213 -6.116 1.00 0.00 H new ATOM 0 HA SER A 20 -0.981 1.934 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.955 1.447 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.251 2.732 -7.227 1.00 0.00 H new ATOM 0 HG SER A 20 -0.698 2.541 -5.234 1.00 0.00 H new ATOM 324 N GLU A 21 1.358 -0.336 -8.614 1.00 0.00 N ATOM 325 CA GLU A 21 2.351 -0.889 -9.584 1.00 0.00 C ATOM 326 C GLU A 21 1.678 -1.837 -10.588 1.00 0.00 C ATOM 327 O GLU A 21 2.162 -2.010 -11.691 1.00 0.00 O ATOM 328 CB GLU A 21 3.392 -1.630 -8.734 1.00 0.00 C ATOM 329 CG GLU A 21 2.731 -2.767 -7.952 1.00 0.00 C ATOM 330 CD GLU A 21 3.800 -3.776 -7.519 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.755 -3.953 -8.256 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.642 -4.355 -6.457 1.00 0.00 O ATOM 0 H GLU A 21 1.222 -0.889 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 21 2.810 -0.099 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.177 -2.030 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.869 -0.934 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.215 -2.370 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.980 -3.259 -8.570 1.00 0.00 H new ATOM 339 N HIS A 22 0.576 -2.451 -10.226 1.00 0.00 N ATOM 340 CA HIS A 22 -0.109 -3.384 -11.175 1.00 0.00 C ATOM 341 C HIS A 22 -1.319 -2.705 -11.829 1.00 0.00 C ATOM 342 O HIS A 22 -2.197 -3.368 -12.349 1.00 0.00 O ATOM 343 CB HIS A 22 -0.577 -4.555 -10.310 1.00 0.00 C ATOM 344 CG HIS A 22 0.605 -5.367 -9.861 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.395 -6.079 -10.749 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.137 -5.597 -8.617 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.350 -6.701 -10.032 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.238 -6.440 -8.727 1.00 0.00 N ATOM 0 H HIS A 22 0.123 -2.347 -9.318 1.00 0.00 H new ATOM 0 HA HIS A 22 0.555 -3.697 -11.981 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.123 -4.182 -9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.266 -5.183 -10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.758 -5.186 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.113 -7.334 -10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.832 -6.785 -7.973 1.00 0.00 H new ATOM 356 N ARG A 23 -1.375 -1.395 -11.808 1.00 0.00 N ATOM 357 CA ARG A 23 -2.532 -0.685 -12.430 1.00 0.00 C ATOM 358 C ARG A 23 -2.334 -0.505 -13.950 1.00 0.00 C ATOM 359 O ARG A 23 -3.258 -0.748 -14.702 1.00 0.00 O ATOM 360 CB ARG A 23 -2.618 0.664 -11.706 1.00 0.00 C ATOM 361 CG ARG A 23 -3.806 1.463 -12.248 1.00 0.00 C ATOM 362 CD ARG A 23 -4.413 2.303 -11.122 1.00 0.00 C ATOM 363 NE ARG A 23 -3.447 3.417 -10.912 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.880 4.602 -10.581 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.465 4.786 -9.429 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.729 5.605 -11.404 1.00 0.00 N ATOM 0 H ARG A 23 -0.670 -0.790 -11.387 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.456 -1.253 -12.325 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.732 0.506 -10.634 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.694 1.225 -11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.481 2.109 -13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.557 0.787 -12.657 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.398 2.681 -11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.540 1.714 -10.214 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.447 3.253 -11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.584 4.003 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.803 5.713 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.273 5.461 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.067 6.532 -11.146 1.00 0.00 H new ATOM 380 N PRO A 24 -1.150 -0.096 -14.379 1.00 0.00 N ATOM 381 CA PRO A 24 -0.918 0.082 -15.835 1.00 0.00 C ATOM 382 C PRO A 24 -0.717 -1.276 -16.528 1.00 0.00 C ATOM 383 O PRO A 24 -0.641 -1.348 -17.741 1.00 0.00 O ATOM 384 CB PRO A 24 0.358 0.914 -15.903 1.00 0.00 C ATOM 385 CG PRO A 24 1.081 0.633 -14.624 1.00 0.00 C ATOM 386 CD PRO A 24 0.054 0.235 -13.594 1.00 0.00 C ATOM 0 HA PRO A 24 -1.760 0.557 -16.339 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.963 0.636 -16.766 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.131 1.975 -16.001 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.811 -0.165 -14.764 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.631 1.514 -14.294 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.392 -0.619 -13.007 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.140 1.047 -12.893 1.00 0.00 H new ATOM 394 N LYS A 25 -0.639 -2.351 -15.775 1.00 0.00 N ATOM 395 CA LYS A 25 -0.453 -3.694 -16.400 1.00 0.00 C ATOM 396 C LYS A 25 -1.813 -4.276 -16.787 1.00 0.00 C ATOM 397 O LYS A 25 -1.955 -4.921 -17.809 1.00 0.00 O ATOM 398 CB LYS A 25 0.209 -4.546 -15.316 1.00 0.00 C ATOM 399 CG LYS A 25 0.700 -5.860 -15.927 1.00 0.00 C ATOM 400 CD LYS A 25 1.675 -6.538 -14.962 1.00 0.00 C ATOM 401 CE LYS A 25 2.082 -7.903 -15.522 1.00 0.00 C ATOM 402 NZ LYS A 25 3.193 -8.362 -14.644 1.00 0.00 N ATOM 0 H LYS A 25 -0.696 -2.352 -14.757 1.00 0.00 H new ATOM 0 HA LYS A 25 0.150 -3.654 -17.307 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.045 -4.004 -14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.501 -4.749 -14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.145 -6.518 -16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.190 -5.669 -16.882 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.557 -5.913 -14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.210 -6.659 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.247 -8.603 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.406 -7.824 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.527 -9.293 -14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.976 -7.679 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.853 -8.435 -13.664 1.00 0.00 H new ATOM 416 N ILE A 26 -2.815 -4.042 -15.977 1.00 0.00 N ATOM 417 CA ILE A 26 -4.179 -4.569 -16.291 1.00 0.00 C ATOM 418 C ILE A 26 -4.809 -3.765 -17.438 1.00 0.00 C ATOM 419 O ILE A 26 -5.762 -4.202 -18.051 1.00 0.00 O ATOM 420 CB ILE A 26 -4.991 -4.388 -14.999 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.331 -5.168 -13.850 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.421 -4.899 -15.206 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.248 -6.662 -14.193 1.00 0.00 C ATOM 0 H ILE A 26 -2.747 -3.508 -15.111 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.151 -5.611 -16.610 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.018 -3.328 -14.746 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.331 -4.776 -13.663 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.904 -5.031 -12.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.991 -4.768 -14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.895 -4.337 -16.010 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.395 -5.957 -15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.778 -7.199 -13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.252 -7.054 -14.356 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.655 -6.795 -15.098 1.00 0.00 H new ATOM 435 N LYS A 27 -4.283 -2.601 -17.735 1.00 0.00 N ATOM 436 CA LYS A 27 -4.854 -1.775 -18.843 1.00 0.00 C ATOM 437 C LYS A 27 -4.357 -2.272 -20.208 1.00 0.00 C ATOM 438 O LYS A 27 -4.929 -1.951 -21.233 1.00 0.00 O ATOM 439 CB LYS A 27 -4.356 -0.355 -18.568 1.00 0.00 C ATOM 440 CG LYS A 27 -5.022 0.176 -17.298 1.00 0.00 C ATOM 441 CD LYS A 27 -4.456 1.559 -16.959 1.00 0.00 C ATOM 442 CE LYS A 27 -5.391 2.642 -17.501 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.883 3.915 -16.919 1.00 0.00 N ATOM 0 H LYS A 27 -3.482 -2.188 -17.257 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.942 -1.830 -18.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.272 -0.353 -18.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.587 0.294 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.101 0.239 -17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.849 -0.512 -16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.348 1.664 -15.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.462 1.672 -17.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.372 2.671 -18.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.423 2.457 -17.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.474 4.706 -17.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.919 3.861 -15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.901 4.068 -17.224 1.00 0.00 H new ATOM 457 N SER A 28 -3.300 -3.050 -20.232 1.00 0.00 N ATOM 458 CA SER A 28 -2.774 -3.564 -21.535 1.00 0.00 C ATOM 459 C SER A 28 -3.659 -4.700 -22.056 1.00 0.00 C ATOM 460 O SER A 28 -4.049 -4.714 -23.208 1.00 0.00 O ATOM 461 CB SER A 28 -1.369 -4.079 -21.223 1.00 0.00 C ATOM 462 OG SER A 28 -0.499 -2.974 -21.013 1.00 0.00 O ATOM 0 H SER A 28 -2.781 -3.350 -19.407 1.00 0.00 H new ATOM 0 HA SER A 28 -2.763 -2.793 -22.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.390 -4.713 -20.337 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.003 -4.693 -22.046 1.00 0.00 H new ATOM 0 HG SER A 28 0.402 -3.301 -20.811 1.00 0.00 H new ATOM 468 N GLU A 29 -3.977 -5.651 -21.214 1.00 0.00 N ATOM 469 CA GLU A 29 -4.837 -6.793 -21.654 1.00 0.00 C ATOM 470 C GLU A 29 -6.330 -6.476 -21.456 1.00 0.00 C ATOM 471 O GLU A 29 -7.177 -7.321 -21.674 1.00 0.00 O ATOM 472 CB GLU A 29 -4.419 -7.964 -20.764 1.00 0.00 C ATOM 473 CG GLU A 29 -3.066 -8.505 -21.233 1.00 0.00 C ATOM 474 CD GLU A 29 -3.256 -9.307 -22.521 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.850 -10.371 -22.451 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.804 -8.845 -23.555 1.00 0.00 O ATOM 0 H GLU A 29 -3.678 -5.686 -20.239 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.708 -7.008 -22.715 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.353 -7.640 -19.726 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.171 -8.752 -20.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.373 -7.682 -21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.627 -9.136 -20.460 1.00 0.00 H new ATOM 483 N HIS A 30 -6.660 -5.269 -21.060 1.00 0.00 N ATOM 484 CA HIS A 30 -8.098 -4.902 -20.866 1.00 0.00 C ATOM 485 C HIS A 30 -8.291 -3.405 -21.141 1.00 0.00 C ATOM 486 O HIS A 30 -8.315 -2.609 -20.222 1.00 0.00 O ATOM 487 CB HIS A 30 -8.430 -5.220 -19.403 1.00 0.00 C ATOM 488 CG HIS A 30 -8.189 -6.677 -19.118 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.195 -7.626 -19.213 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.067 -7.358 -18.727 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.660 -8.817 -18.883 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.364 -8.709 -18.577 1.00 0.00 N ATOM 0 H HIS A 30 -5.994 -4.522 -20.863 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.749 -5.453 -21.545 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.817 -4.607 -18.742 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.470 -4.969 -19.196 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.097 -6.913 -18.560 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.211 -9.746 -18.868 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.729 -9.456 -18.294 1.00 0.00 H new ATOM 500 N PRO A 31 -8.424 -3.060 -22.401 1.00 0.00 N ATOM 501 CA PRO A 31 -8.619 -1.635 -22.775 1.00 0.00 C ATOM 502 C PRO A 31 -9.974 -1.134 -22.268 1.00 0.00 C ATOM 503 O PRO A 31 -11.015 -1.559 -22.731 1.00 0.00 O ATOM 504 CB PRO A 31 -8.571 -1.655 -24.302 1.00 0.00 C ATOM 505 CG PRO A 31 -8.954 -3.052 -24.674 1.00 0.00 C ATOM 506 CD PRO A 31 -8.414 -3.935 -23.582 1.00 0.00 C ATOM 0 HA PRO A 31 -7.872 -0.968 -22.344 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.261 -0.928 -24.730 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.576 -1.405 -24.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.036 -3.151 -24.756 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.534 -3.327 -25.642 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.037 -4.817 -23.434 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.409 -4.289 -23.811 1.00 0.00 H new ATOM 514 N GLY A 32 -9.962 -0.238 -21.313 1.00 0.00 N ATOM 515 CA GLY A 32 -11.243 0.293 -20.760 1.00 0.00 C ATOM 516 C GLY A 32 -11.449 -0.224 -19.329 1.00 0.00 C ATOM 517 O GLY A 32 -12.241 0.317 -18.580 1.00 0.00 O ATOM 0 H GLY A 32 -9.117 0.149 -20.892 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.226 1.383 -20.763 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.077 -0.015 -21.391 1.00 0.00 H new ATOM 521 N LEU A 33 -10.754 -1.273 -18.946 1.00 0.00 N ATOM 522 CA LEU A 33 -10.912 -1.840 -17.564 1.00 0.00 C ATOM 523 C LEU A 33 -10.831 -0.748 -16.492 1.00 0.00 C ATOM 524 O LEU A 33 -9.780 -0.196 -16.223 1.00 0.00 O ATOM 525 CB LEU A 33 -9.749 -2.830 -17.407 1.00 0.00 C ATOM 526 CG LEU A 33 -10.168 -4.025 -16.537 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.565 -3.539 -15.144 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.355 -4.753 -17.179 1.00 0.00 C ATOM 0 H LEU A 33 -10.081 -1.763 -19.535 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.886 -2.314 -17.438 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.429 -3.182 -18.388 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.894 -2.326 -16.955 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.326 -4.712 -16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.861 -4.391 -14.532 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.717 -3.035 -14.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.400 -2.843 -15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.644 -5.598 -16.555 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.196 -4.066 -17.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.070 -5.113 -18.167 1.00 0.00 H new ATOM 540 N SER A 34 -11.945 -0.444 -15.881 1.00 0.00 N ATOM 541 CA SER A 34 -11.969 0.603 -14.817 1.00 0.00 C ATOM 542 C SER A 34 -11.314 0.065 -13.541 1.00 0.00 C ATOM 543 O SER A 34 -10.664 -0.964 -13.556 1.00 0.00 O ATOM 544 CB SER A 34 -13.453 0.895 -14.580 1.00 0.00 C ATOM 545 OG SER A 34 -14.191 -0.319 -14.630 1.00 0.00 O ATOM 0 H SER A 34 -12.847 -0.879 -16.075 1.00 0.00 H new ATOM 0 HA SER A 34 -11.421 1.501 -15.104 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.589 1.376 -13.611 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.823 1.589 -15.335 1.00 0.00 H new ATOM 0 HG SER A 34 -15.140 -0.131 -14.476 1.00 0.00 H new ATOM 551 N ILE A 35 -11.480 0.752 -12.438 1.00 0.00 N ATOM 552 CA ILE A 35 -10.868 0.281 -11.156 1.00 0.00 C ATOM 553 C ILE A 35 -11.812 -0.685 -10.420 1.00 0.00 C ATOM 554 O ILE A 35 -11.602 -0.999 -9.263 1.00 0.00 O ATOM 555 CB ILE A 35 -10.649 1.556 -10.327 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.749 2.539 -11.098 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.988 1.199 -8.992 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.386 1.897 -11.395 1.00 0.00 C ATOM 0 H ILE A 35 -12.013 1.619 -12.369 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.939 -0.264 -11.326 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.615 2.025 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.232 2.829 -12.031 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.610 3.449 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.835 2.106 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.632 0.515 -8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.026 0.721 -9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.762 2.605 -11.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.898 1.630 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.530 1.000 -11.998 1.00 0.00 H new ATOM 570 N GLY A 36 -12.845 -1.165 -11.077 1.00 0.00 N ATOM 571 CA GLY A 36 -13.789 -2.110 -10.409 1.00 0.00 C ATOM 572 C GLY A 36 -13.300 -3.546 -10.614 1.00 0.00 C ATOM 573 O GLY A 36 -12.960 -4.235 -9.670 1.00 0.00 O ATOM 0 H GLY A 36 -13.071 -0.941 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.854 -1.885 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.791 -1.993 -10.822 1.00 0.00 H new ATOM 577 N ASP A 37 -13.260 -3.998 -11.843 1.00 0.00 N ATOM 578 CA ASP A 37 -12.789 -5.391 -12.117 1.00 0.00 C ATOM 579 C ASP A 37 -11.322 -5.538 -11.709 1.00 0.00 C ATOM 580 O ASP A 37 -10.940 -6.505 -11.078 1.00 0.00 O ATOM 581 CB ASP A 37 -12.947 -5.583 -13.627 1.00 0.00 C ATOM 582 CG ASP A 37 -14.433 -5.671 -13.978 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.007 -6.728 -13.781 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.972 -4.677 -14.439 1.00 0.00 O ATOM 0 H ASP A 37 -13.533 -3.463 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.355 -6.134 -11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.485 -4.752 -14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.433 -6.490 -13.945 1.00 0.00 H new ATOM 589 N THR A 38 -10.499 -4.580 -12.061 1.00 0.00 N ATOM 590 CA THR A 38 -9.050 -4.654 -11.690 1.00 0.00 C ATOM 591 C THR A 38 -8.914 -4.710 -10.159 1.00 0.00 C ATOM 592 O THR A 38 -8.057 -5.391 -9.632 1.00 0.00 O ATOM 593 CB THR A 38 -8.420 -3.375 -12.287 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.269 -3.547 -13.687 1.00 0.00 O ATOM 595 CG2 THR A 38 -7.039 -3.098 -11.674 1.00 0.00 C ATOM 0 H THR A 38 -10.768 -3.750 -12.589 1.00 0.00 H new ATOM 0 HA THR A 38 -8.551 -5.544 -12.073 1.00 0.00 H new ATOM 0 HB THR A 38 -9.075 -2.533 -12.066 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.871 -2.740 -14.075 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.621 -2.192 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.139 -2.966 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.376 -3.939 -11.876 1.00 0.00 H new ATOM 603 N ALA A 39 -9.763 -4.010 -9.450 1.00 0.00 N ATOM 604 CA ALA A 39 -9.694 -4.032 -7.956 1.00 0.00 C ATOM 605 C ALA A 39 -10.059 -5.427 -7.444 1.00 0.00 C ATOM 606 O ALA A 39 -9.594 -5.860 -6.407 1.00 0.00 O ATOM 607 CB ALA A 39 -10.722 -3.001 -7.487 1.00 0.00 C ATOM 0 H ALA A 39 -10.501 -3.424 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.696 -3.800 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.727 -2.962 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.461 -2.020 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.712 -3.285 -7.845 1.00 0.00 H new ATOM 613 N LYS A 40 -10.887 -6.133 -8.173 1.00 0.00 N ATOM 614 CA LYS A 40 -11.286 -7.507 -7.746 1.00 0.00 C ATOM 615 C LYS A 40 -10.175 -8.504 -8.088 1.00 0.00 C ATOM 616 O LYS A 40 -10.019 -9.517 -7.435 1.00 0.00 O ATOM 617 CB LYS A 40 -12.554 -7.820 -8.543 1.00 0.00 C ATOM 618 CG LYS A 40 -13.757 -7.152 -7.873 1.00 0.00 C ATOM 619 CD LYS A 40 -14.999 -7.350 -8.744 1.00 0.00 C ATOM 620 CE LYS A 40 -16.256 -7.172 -7.889 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.375 -7.653 -8.746 1.00 0.00 N ATOM 0 H LYS A 40 -11.304 -5.815 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.457 -7.574 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.450 -7.462 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.706 -8.898 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.921 -7.580 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.564 -6.089 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.999 -6.632 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.988 -8.344 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.190 -7.747 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.396 -6.129 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.272 -7.563 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.417 -7.082 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.218 -8.651 -8.995 1.00 0.00 H new ATOM 635 N LYS A 41 -9.405 -8.221 -9.110 1.00 0.00 N ATOM 636 CA LYS A 41 -8.300 -9.148 -9.501 1.00 0.00 C ATOM 637 C LYS A 41 -7.010 -8.792 -8.750 1.00 0.00 C ATOM 638 O LYS A 41 -6.150 -9.629 -8.551 1.00 0.00 O ATOM 639 CB LYS A 41 -8.119 -8.935 -11.005 1.00 0.00 C ATOM 640 CG LYS A 41 -7.486 -10.182 -11.625 1.00 0.00 C ATOM 641 CD LYS A 41 -7.669 -10.145 -13.143 1.00 0.00 C ATOM 642 CE LYS A 41 -6.564 -9.294 -13.772 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.035 -9.014 -15.157 1.00 0.00 N ATOM 0 H LYS A 41 -9.495 -7.387 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.530 -10.185 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.082 -8.733 -11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.488 -8.065 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.426 -10.226 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.947 -11.080 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.638 -11.156 -13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.646 -9.732 -13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.410 -8.371 -13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.612 -9.825 -13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.329 -8.434 -15.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.166 -9.911 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.939 -8.502 -15.119 1.00 0.00 H new ATOM 657 N LEU A 42 -6.876 -7.558 -8.331 1.00 0.00 N ATOM 658 CA LEU A 42 -5.648 -7.140 -7.590 1.00 0.00 C ATOM 659 C LEU A 42 -5.737 -7.587 -6.132 1.00 0.00 C ATOM 660 O LEU A 42 -4.950 -8.390 -5.673 1.00 0.00 O ATOM 661 CB LEU A 42 -5.629 -5.614 -7.676 1.00 0.00 C ATOM 662 CG LEU A 42 -4.608 -5.163 -8.722 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.005 -5.683 -10.113 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.564 -3.637 -8.733 1.00 0.00 C ATOM 0 H LEU A 42 -7.567 -6.821 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.745 -7.583 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.620 -5.244 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.378 -5.190 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.626 -5.564 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.270 -5.355 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.041 -6.772 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.986 -5.291 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.840 -3.299 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.550 -3.246 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.271 -3.274 -7.748 1.00 0.00 H new ATOM 676 N GLY A 43 -6.697 -7.070 -5.398 1.00 0.00 N ATOM 677 CA GLY A 43 -6.851 -7.458 -3.957 1.00 0.00 C ATOM 678 C GLY A 43 -6.886 -8.985 -3.835 1.00 0.00 C ATOM 679 O GLY A 43 -6.471 -9.547 -2.838 1.00 0.00 O ATOM 0 H GLY A 43 -7.382 -6.394 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.024 -7.055 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.767 -7.030 -3.551 1.00 0.00 H new ATOM 683 N GLU A 44 -7.352 -9.656 -4.858 1.00 0.00 N ATOM 684 CA GLU A 44 -7.384 -11.145 -4.825 1.00 0.00 C ATOM 685 C GLU A 44 -5.952 -11.662 -4.943 1.00 0.00 C ATOM 686 O GLU A 44 -5.574 -12.632 -4.313 1.00 0.00 O ATOM 687 CB GLU A 44 -8.216 -11.566 -6.039 1.00 0.00 C ATOM 688 CG GLU A 44 -8.396 -13.086 -6.034 1.00 0.00 C ATOM 689 CD GLU A 44 -9.164 -13.514 -7.285 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.541 -13.641 -8.325 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.365 -13.707 -7.182 1.00 0.00 O ATOM 0 H GLU A 44 -7.711 -9.234 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.813 -11.543 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.188 -11.074 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.722 -11.251 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.424 -13.578 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.936 -13.396 -5.139 1.00 0.00 H new ATOM 698 N MET A 45 -5.148 -11.002 -5.742 1.00 0.00 N ATOM 699 CA MET A 45 -3.729 -11.425 -5.905 1.00 0.00 C ATOM 700 C MET A 45 -2.894 -10.883 -4.742 1.00 0.00 C ATOM 701 O MET A 45 -2.054 -11.573 -4.203 1.00 0.00 O ATOM 702 CB MET A 45 -3.275 -10.806 -7.228 1.00 0.00 C ATOM 703 CG MET A 45 -3.794 -11.650 -8.392 1.00 0.00 C ATOM 704 SD MET A 45 -3.551 -10.751 -9.946 1.00 0.00 S ATOM 705 CE MET A 45 -1.753 -10.935 -10.034 1.00 0.00 C ATOM 0 H MET A 45 -5.419 -10.185 -6.289 1.00 0.00 H new ATOM 0 HA MET A 45 -3.614 -12.509 -5.909 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.648 -9.785 -7.311 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.187 -10.751 -7.262 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.269 -12.604 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.851 -11.873 -8.250 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.417 -10.741 -11.053 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.281 -10.225 -9.355 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.477 -11.950 -9.747 1.00 0.00 H new ATOM 715 N TRP A 46 -3.136 -9.654 -4.338 1.00 0.00 N ATOM 716 CA TRP A 46 -2.370 -9.058 -3.189 1.00 0.00 C ATOM 717 C TRP A 46 -2.443 -9.993 -1.974 1.00 0.00 C ATOM 718 O TRP A 46 -1.441 -10.298 -1.355 1.00 0.00 O ATOM 719 CB TRP A 46 -3.059 -7.715 -2.902 1.00 0.00 C ATOM 720 CG TRP A 46 -2.450 -7.070 -1.697 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.121 -6.697 -0.583 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.059 -6.723 -1.470 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.226 -6.138 0.312 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.940 -6.131 -0.192 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.100 -6.863 -2.246 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.290 -5.694 0.297 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.341 -6.426 -1.759 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.434 -5.841 -0.490 1.00 0.00 C ATOM 0 H TRP A 46 -3.832 -9.036 -4.755 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.313 -8.920 -3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.962 -7.056 -3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.125 -7.872 -2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.182 -6.816 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.484 -5.776 1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.037 -7.311 -3.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.358 -5.245 1.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.228 -6.541 -2.365 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.391 -5.503 -0.120 1.00 0.00 H new ATOM 739 N SER A 47 -3.622 -10.462 -1.648 1.00 0.00 N ATOM 740 CA SER A 47 -3.766 -11.396 -0.490 1.00 0.00 C ATOM 741 C SER A 47 -3.051 -12.726 -0.780 1.00 0.00 C ATOM 742 O SER A 47 -2.895 -13.553 0.098 1.00 0.00 O ATOM 743 CB SER A 47 -5.271 -11.624 -0.340 1.00 0.00 C ATOM 744 OG SER A 47 -5.532 -12.228 0.920 1.00 0.00 O ATOM 0 H SER A 47 -4.490 -10.238 -2.134 1.00 0.00 H new ATOM 0 HA SER A 47 -3.322 -10.988 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.804 -10.676 -0.419 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.636 -12.263 -1.145 1.00 0.00 H new ATOM 0 HG SER A 47 -6.496 -12.374 1.019 1.00 0.00 H new ATOM 750 N GLU A 48 -2.602 -12.934 -1.999 1.00 0.00 N ATOM 751 CA GLU A 48 -1.888 -14.190 -2.341 1.00 0.00 C ATOM 752 C GLU A 48 -0.383 -13.930 -2.455 1.00 0.00 C ATOM 753 O GLU A 48 0.403 -14.859 -2.484 1.00 0.00 O ATOM 754 CB GLU A 48 -2.464 -14.606 -3.695 1.00 0.00 C ATOM 755 CG GLU A 48 -3.759 -15.392 -3.479 1.00 0.00 C ATOM 756 CD GLU A 48 -3.424 -16.816 -3.031 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.838 -17.540 -3.819 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.758 -17.157 -1.909 1.00 0.00 O ATOM 0 H GLU A 48 -2.705 -12.276 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.018 -14.963 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.659 -13.724 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.742 -15.216 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.375 -14.899 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.340 -15.417 -4.401 1.00 0.00 H new ATOM 765 N GLN A 49 0.035 -12.681 -2.511 1.00 0.00 N ATOM 766 CA GLN A 49 1.496 -12.392 -2.614 1.00 0.00 C ATOM 767 C GLN A 49 2.212 -12.930 -1.378 1.00 0.00 C ATOM 768 O GLN A 49 1.698 -12.868 -0.277 1.00 0.00 O ATOM 769 CB GLN A 49 1.619 -10.860 -2.667 1.00 0.00 C ATOM 770 CG GLN A 49 0.915 -10.312 -3.911 1.00 0.00 C ATOM 771 CD GLN A 49 1.565 -10.879 -5.176 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.734 -11.211 -5.176 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.850 -11.003 -6.260 1.00 0.00 N ATOM 0 H GLN A 49 -0.571 -11.861 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 49 1.942 -12.860 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.180 -10.422 -1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.671 -10.573 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.142 -10.576 -3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.971 -9.223 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.131 -10.724 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.272 -11.379 -7.109 1.00 0.00 H new ATOM 782 N SER A 50 3.395 -13.442 -1.551 1.00 0.00 N ATOM 783 CA SER A 50 4.165 -13.968 -0.390 1.00 0.00 C ATOM 784 C SER A 50 5.093 -12.852 0.139 1.00 0.00 C ATOM 785 O SER A 50 4.614 -11.814 0.556 1.00 0.00 O ATOM 786 CB SER A 50 4.932 -15.173 -0.947 1.00 0.00 C ATOM 787 OG SER A 50 5.887 -14.722 -1.898 1.00 0.00 O ATOM 0 H SER A 50 3.866 -13.520 -2.452 1.00 0.00 H new ATOM 0 HA SER A 50 3.548 -14.274 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.431 -15.707 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.241 -15.875 -1.413 1.00 0.00 H new ATOM 0 HG SER A 50 6.381 -15.490 -2.255 1.00 0.00 H new ATOM 793 N ALA A 51 6.398 -13.031 0.122 1.00 0.00 N ATOM 794 CA ALA A 51 7.304 -11.953 0.620 1.00 0.00 C ATOM 795 C ALA A 51 7.992 -11.234 -0.553 1.00 0.00 C ATOM 796 O ALA A 51 8.609 -10.202 -0.372 1.00 0.00 O ATOM 797 CB ALA A 51 8.336 -12.671 1.490 1.00 0.00 C ATOM 0 H ALA A 51 6.867 -13.873 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 51 6.760 -11.189 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.040 -11.944 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.830 -13.180 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.875 -13.402 0.887 1.00 0.00 H new ATOM 803 N LYS A 52 7.895 -11.766 -1.750 1.00 0.00 N ATOM 804 CA LYS A 52 8.548 -11.102 -2.921 1.00 0.00 C ATOM 805 C LYS A 52 7.769 -9.846 -3.319 1.00 0.00 C ATOM 806 O LYS A 52 8.345 -8.802 -3.567 1.00 0.00 O ATOM 807 CB LYS A 52 8.507 -12.138 -4.047 1.00 0.00 C ATOM 808 CG LYS A 52 9.697 -11.920 -4.984 1.00 0.00 C ATOM 809 CD LYS A 52 10.031 -13.230 -5.699 1.00 0.00 C ATOM 810 CE LYS A 52 9.007 -13.482 -6.809 1.00 0.00 C ATOM 811 NZ LYS A 52 9.452 -12.626 -7.944 1.00 0.00 N ATOM 0 H LYS A 52 7.394 -12.628 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 52 9.567 -10.787 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.538 -13.145 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.573 -12.051 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.462 -11.145 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.561 -11.572 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.035 -13.181 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.024 -14.057 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.984 -14.534 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.000 -13.217 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.644 -12.079 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.194 -11.974 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.829 -13.227 -8.705 1.00 0.00 H new ATOM 825 N ASP A 53 6.464 -9.939 -3.381 1.00 0.00 N ATOM 826 CA ASP A 53 5.640 -8.752 -3.761 1.00 0.00 C ATOM 827 C ASP A 53 4.674 -8.395 -2.628 1.00 0.00 C ATOM 828 O ASP A 53 3.470 -8.362 -2.805 1.00 0.00 O ATOM 829 CB ASP A 53 4.865 -9.189 -5.003 1.00 0.00 C ATOM 830 CG ASP A 53 5.568 -8.669 -6.259 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.609 -9.208 -6.597 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.054 -7.741 -6.861 1.00 0.00 O ATOM 0 H ASP A 53 5.933 -10.788 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 53 6.251 -7.869 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.796 -10.276 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.845 -8.806 -4.961 1.00 0.00 H new ATOM 837 N LYS A 54 5.200 -8.128 -1.461 1.00 0.00 N ATOM 838 CA LYS A 54 4.331 -7.773 -0.304 1.00 0.00 C ATOM 839 C LYS A 54 5.162 -7.267 0.883 1.00 0.00 C ATOM 840 O LYS A 54 4.707 -6.444 1.656 1.00 0.00 O ATOM 841 CB LYS A 54 3.624 -9.075 0.055 1.00 0.00 C ATOM 842 CG LYS A 54 2.174 -8.778 0.454 1.00 0.00 C ATOM 843 CD LYS A 54 1.593 -9.953 1.239 1.00 0.00 C ATOM 844 CE LYS A 54 2.350 -10.116 2.559 1.00 0.00 C ATOM 845 NZ LYS A 54 1.351 -10.683 3.506 1.00 0.00 N ATOM 0 H LYS A 54 6.200 -8.141 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 54 3.635 -6.970 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.646 -9.759 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.144 -9.569 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.133 -7.872 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.574 -8.594 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.534 -9.784 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.667 -10.868 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.207 -10.780 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.734 -9.160 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.795 -10.824 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.550 -10.026 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.009 -11.596 3.144 1.00 0.00 H new ATOM 859 N GLN A 55 6.371 -7.748 1.037 1.00 0.00 N ATOM 860 CA GLN A 55 7.228 -7.293 2.177 1.00 0.00 C ATOM 861 C GLN A 55 7.767 -5.870 1.936 1.00 0.00 C ATOM 862 O GLN A 55 7.663 -5.030 2.806 1.00 0.00 O ATOM 863 CB GLN A 55 8.380 -8.297 2.243 1.00 0.00 C ATOM 864 CG GLN A 55 8.008 -9.440 3.189 1.00 0.00 C ATOM 865 CD GLN A 55 7.959 -8.919 4.627 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.982 -8.618 5.211 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.807 -8.798 5.226 1.00 0.00 N ATOM 0 H GLN A 55 6.803 -8.437 0.422 1.00 0.00 H new ATOM 0 HA GLN A 55 6.663 -7.254 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.592 -8.689 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.287 -7.803 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.041 -9.857 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.738 -10.245 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.949 -9.050 4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.764 -8.451 6.184 1.00 0.00 H new ATOM 876 N PRO A 56 8.343 -5.630 0.772 1.00 0.00 N ATOM 877 CA PRO A 56 8.894 -4.282 0.480 1.00 0.00 C ATOM 878 C PRO A 56 7.777 -3.267 0.190 1.00 0.00 C ATOM 879 O PRO A 56 8.032 -2.083 0.077 1.00 0.00 O ATOM 880 CB PRO A 56 9.756 -4.504 -0.758 1.00 0.00 C ATOM 881 CG PRO A 56 9.181 -5.709 -1.427 1.00 0.00 C ATOM 882 CD PRO A 56 8.538 -6.556 -0.359 1.00 0.00 C ATOM 0 HA PRO A 56 9.451 -3.871 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.728 -3.637 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.800 -4.665 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.447 -5.417 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.960 -6.269 -1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.590 -6.973 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.175 -7.396 -0.080 1.00 0.00 H new ATOM 890 N TYR A 57 6.549 -3.713 0.057 1.00 0.00 N ATOM 891 CA TYR A 57 5.434 -2.761 -0.237 1.00 0.00 C ATOM 892 C TYR A 57 4.785 -2.262 1.059 1.00 0.00 C ATOM 893 O TYR A 57 4.384 -1.117 1.153 1.00 0.00 O ATOM 894 CB TYR A 57 4.432 -3.565 -1.069 1.00 0.00 C ATOM 895 CG TYR A 57 4.976 -3.756 -2.468 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.422 -2.653 -3.208 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.034 -5.040 -3.025 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.925 -2.833 -4.502 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.537 -5.219 -4.320 1.00 0.00 C ATOM 900 CZ TYR A 57 5.984 -4.116 -5.057 1.00 0.00 C ATOM 901 OH TYR A 57 6.479 -4.294 -6.333 1.00 0.00 O ATOM 0 H TYR A 57 6.273 -4.692 0.139 1.00 0.00 H new ATOM 0 HA TYR A 57 5.786 -1.875 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.250 -4.533 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.475 -3.045 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.378 -1.663 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.691 -5.892 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.267 -1.982 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.580 -6.209 -4.750 1.00 0.00 H new ATOM 0 HH TYR A 57 6.202 -3.544 -6.899 1.00 0.00 H new ATOM 911 N GLU A 58 4.682 -3.106 2.057 1.00 0.00 N ATOM 912 CA GLU A 58 4.062 -2.668 3.345 1.00 0.00 C ATOM 913 C GLU A 58 5.062 -1.839 4.162 1.00 0.00 C ATOM 914 O GLU A 58 4.681 -1.018 4.974 1.00 0.00 O ATOM 915 CB GLU A 58 3.683 -3.962 4.078 1.00 0.00 C ATOM 916 CG GLU A 58 4.937 -4.804 4.353 1.00 0.00 C ATOM 917 CD GLU A 58 5.306 -4.713 5.837 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.603 -3.618 6.287 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.286 -5.739 6.496 1.00 0.00 O ATOM 0 H GLU A 58 4.999 -4.075 2.035 1.00 0.00 H new ATOM 0 HA GLU A 58 3.190 -2.034 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.183 -3.723 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.976 -4.535 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.757 -5.843 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.766 -4.450 3.740 1.00 0.00 H new ATOM 926 N GLN A 59 6.340 -2.046 3.944 1.00 0.00 N ATOM 927 CA GLN A 59 7.368 -1.268 4.700 1.00 0.00 C ATOM 928 C GLN A 59 7.472 0.148 4.127 1.00 0.00 C ATOM 929 O GLN A 59 7.103 1.113 4.768 1.00 0.00 O ATOM 930 CB GLN A 59 8.679 -2.028 4.492 1.00 0.00 C ATOM 931 CG GLN A 59 8.712 -3.252 5.411 1.00 0.00 C ATOM 932 CD GLN A 59 9.669 -4.298 4.834 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.319 -5.454 4.710 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.870 -3.937 4.475 1.00 0.00 N ATOM 0 H GLN A 59 6.713 -2.720 3.275 1.00 0.00 H new ATOM 0 HA GLN A 59 7.121 -1.172 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.770 -2.339 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.527 -1.377 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.034 -2.961 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.712 -3.674 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.163 -2.966 4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.516 -4.626 4.090 1.00 0.00 H new ATOM 943 N LYS A 60 7.981 0.278 2.925 1.00 0.00 N ATOM 944 CA LYS A 60 8.126 1.633 2.290 1.00 0.00 C ATOM 945 C LYS A 60 6.826 2.444 2.389 1.00 0.00 C ATOM 946 O LYS A 60 6.848 3.661 2.367 1.00 0.00 O ATOM 947 CB LYS A 60 8.463 1.351 0.824 1.00 0.00 C ATOM 948 CG LYS A 60 8.763 2.668 0.106 1.00 0.00 C ATOM 949 CD LYS A 60 8.545 2.493 -1.398 1.00 0.00 C ATOM 950 CE LYS A 60 9.132 3.694 -2.143 1.00 0.00 C ATOM 951 NZ LYS A 60 10.570 3.359 -2.336 1.00 0.00 N ATOM 0 H LYS A 60 8.305 -0.500 2.350 1.00 0.00 H new ATOM 0 HA LYS A 60 8.893 2.224 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.324 0.685 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.629 0.842 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.116 3.458 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.790 2.975 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.019 1.573 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.480 2.403 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.631 3.850 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.014 4.612 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.127 4.236 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.902 2.782 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.686 2.825 -3.221 1.00 0.00 H new ATOM 965 N ALA A 61 5.701 1.785 2.513 1.00 0.00 N ATOM 966 CA ALA A 61 4.408 2.522 2.633 1.00 0.00 C ATOM 967 C ALA A 61 4.114 2.799 4.106 1.00 0.00 C ATOM 968 O ALA A 61 3.631 3.854 4.468 1.00 0.00 O ATOM 969 CB ALA A 61 3.355 1.583 2.047 1.00 0.00 C ATOM 0 H ALA A 61 5.623 0.768 2.536 1.00 0.00 H new ATOM 0 HA ALA A 61 4.424 3.481 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.375 2.057 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.598 1.368 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.340 0.653 2.616 1.00 0.00 H new ATOM 975 N ALA A 62 4.411 1.848 4.955 1.00 0.00 N ATOM 976 CA ALA A 62 4.161 2.035 6.419 1.00 0.00 C ATOM 977 C ALA A 62 4.958 3.234 6.941 1.00 0.00 C ATOM 978 O ALA A 62 4.430 4.088 7.628 1.00 0.00 O ATOM 979 CB ALA A 62 4.643 0.742 7.080 1.00 0.00 C ATOM 0 H ALA A 62 4.817 0.948 4.698 1.00 0.00 H new ATOM 0 HA ALA A 62 3.111 2.231 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.491 0.806 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.079 -0.102 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.703 0.600 6.871 1.00 0.00 H new ATOM 985 N LYS A 63 6.225 3.303 6.614 1.00 0.00 N ATOM 986 CA LYS A 63 7.061 4.451 7.084 1.00 0.00 C ATOM 987 C LYS A 63 6.542 5.752 6.472 1.00 0.00 C ATOM 988 O LYS A 63 6.200 6.686 7.172 1.00 0.00 O ATOM 989 CB LYS A 63 8.477 4.152 6.586 1.00 0.00 C ATOM 990 CG LYS A 63 9.492 4.912 7.442 1.00 0.00 C ATOM 991 CD LYS A 63 9.937 4.029 8.610 1.00 0.00 C ATOM 992 CE LYS A 63 11.360 4.413 9.027 1.00 0.00 C ATOM 993 NZ LYS A 63 12.248 3.667 8.092 1.00 0.00 N ATOM 0 H LYS A 63 6.716 2.615 6.043 1.00 0.00 H new ATOM 0 HA LYS A 63 7.033 4.567 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.673 3.081 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.575 4.445 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.354 5.195 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.049 5.834 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.255 4.150 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.902 2.979 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.518 5.489 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.556 4.137 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.095 4.235 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.531 2.766 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.738 3.479 7.205 1.00 0.00 H new ATOM 1007 N LEU A 64 6.480 5.817 5.163 1.00 0.00 N ATOM 1008 CA LEU A 64 5.981 7.057 4.481 1.00 0.00 C ATOM 1009 C LEU A 64 4.612 7.453 5.038 1.00 0.00 C ATOM 1010 O LEU A 64 4.266 8.619 5.092 1.00 0.00 O ATOM 1011 CB LEU A 64 5.868 6.686 3.000 1.00 0.00 C ATOM 1012 CG LEU A 64 7.227 6.866 2.323 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.176 6.276 0.913 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.558 8.359 2.237 1.00 0.00 C ATOM 0 H LEU A 64 6.754 5.062 4.534 1.00 0.00 H new ATOM 0 HA LEU A 64 6.647 7.905 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.533 5.654 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.121 7.313 2.513 1.00 0.00 H new ATOM 0 HG LEU A 64 7.994 6.354 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.145 6.404 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.937 5.214 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.410 6.789 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.527 8.490 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.791 8.869 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.593 8.782 3.241 1.00 0.00 H new ATOM 1026 N LYS A 65 3.843 6.487 5.467 1.00 0.00 N ATOM 1027 CA LYS A 65 2.503 6.793 6.043 1.00 0.00 C ATOM 1028 C LYS A 65 2.685 7.382 7.443 1.00 0.00 C ATOM 1029 O LYS A 65 2.179 8.443 7.754 1.00 0.00 O ATOM 1030 CB LYS A 65 1.776 5.448 6.114 1.00 0.00 C ATOM 1031 CG LYS A 65 0.362 5.658 6.658 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.442 4.365 6.506 1.00 0.00 C ATOM 1033 CE LYS A 65 -0.020 3.371 7.591 1.00 0.00 C ATOM 1034 NZ LYS A 65 -0.881 3.692 8.762 1.00 0.00 N ATOM 0 H LYS A 65 4.087 5.497 5.443 1.00 0.00 H new ATOM 0 HA LYS A 65 1.942 7.515 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.732 4.994 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.325 4.760 6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.405 5.951 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.129 6.469 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.508 4.576 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.275 3.934 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.167 2.342 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.037 3.479 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.651 3.051 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.714 4.675 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.881 3.574 8.501 1.00 0.00 H new ATOM 1048 N GLU A 66 3.410 6.690 8.284 1.00 0.00 N ATOM 1049 CA GLU A 66 3.642 7.191 9.675 1.00 0.00 C ATOM 1050 C GLU A 66 4.389 8.527 9.638 1.00 0.00 C ATOM 1051 O GLU A 66 4.192 9.381 10.482 1.00 0.00 O ATOM 1052 CB GLU A 66 4.496 6.118 10.353 1.00 0.00 C ATOM 1053 CG GLU A 66 4.625 6.434 11.844 1.00 0.00 C ATOM 1054 CD GLU A 66 5.596 5.446 12.493 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.791 5.676 12.408 1.00 0.00 O ATOM 1056 OE2 GLU A 66 5.127 4.475 13.066 1.00 0.00 O ATOM 0 H GLU A 66 3.853 5.797 8.068 1.00 0.00 H new ATOM 0 HA GLU A 66 2.708 7.362 10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.041 5.137 10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.483 6.079 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.983 7.455 11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.649 6.371 12.326 1.00 0.00 H new ATOM 1063 N LYS A 67 5.246 8.711 8.665 1.00 0.00 N ATOM 1064 CA LYS A 67 6.013 9.990 8.564 1.00 0.00 C ATOM 1065 C LYS A 67 5.134 11.107 7.983 1.00 0.00 C ATOM 1066 O LYS A 67 5.416 12.274 8.161 1.00 0.00 O ATOM 1067 CB LYS A 67 7.178 9.681 7.622 1.00 0.00 C ATOM 1068 CG LYS A 67 8.370 9.170 8.434 1.00 0.00 C ATOM 1069 CD LYS A 67 9.045 10.344 9.145 1.00 0.00 C ATOM 1070 CE LYS A 67 10.451 9.932 9.587 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.175 11.215 9.810 1.00 0.00 N ATOM 0 H LYS A 67 5.448 8.028 7.934 1.00 0.00 H new ATOM 0 HA LYS A 67 6.354 10.338 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.877 8.933 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.459 10.577 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.037 8.432 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.083 8.670 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.099 11.204 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.455 10.648 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.419 9.333 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.943 9.328 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.149 11.015 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.195 11.761 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.687 11.766 10.545 1.00 0.00 H new ATOM 1085 N TYR A 68 4.070 10.756 7.304 1.00 0.00 N ATOM 1086 CA TYR A 68 3.158 11.793 6.716 1.00 0.00 C ATOM 1087 C TYR A 68 2.436 12.541 7.838 1.00 0.00 C ATOM 1088 O TYR A 68 2.157 13.720 7.744 1.00 0.00 O ATOM 1089 CB TYR A 68 2.158 10.989 5.877 1.00 0.00 C ATOM 1090 CG TYR A 68 1.282 11.905 5.055 1.00 0.00 C ATOM 1091 CD1 TYR A 68 1.845 12.703 4.053 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -0.099 11.935 5.282 1.00 0.00 C ATOM 1093 CE1 TYR A 68 1.026 13.535 3.280 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.918 12.765 4.506 1.00 0.00 C ATOM 1095 CZ TYR A 68 -0.355 13.565 3.506 1.00 0.00 C ATOM 1096 OH TYR A 68 -1.162 14.382 2.741 1.00 0.00 O ATOM 0 H TYR A 68 3.790 9.791 7.129 1.00 0.00 H new ATOM 0 HA TYR A 68 3.688 12.538 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.696 10.307 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.537 10.377 6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.910 12.677 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.533 11.318 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.460 14.154 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.984 12.787 4.680 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.094 14.282 3.027 1.00 0.00 H new ATOM 1106 N GLU A 69 2.129 11.842 8.895 1.00 0.00 N ATOM 1107 CA GLU A 69 1.413 12.470 10.047 1.00 0.00 C ATOM 1108 C GLU A 69 2.275 13.559 10.687 1.00 0.00 C ATOM 1109 O GLU A 69 1.763 14.537 11.201 1.00 0.00 O ATOM 1110 CB GLU A 69 1.164 11.331 11.038 1.00 0.00 C ATOM 1111 CG GLU A 69 0.204 10.313 10.418 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.590 9.619 11.525 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.018 8.906 12.307 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -1.794 9.813 11.573 1.00 0.00 O ATOM 0 H GLU A 69 2.345 10.852 9.013 1.00 0.00 H new ATOM 0 HA GLU A 69 0.484 12.948 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.106 10.847 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.744 11.726 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.475 10.812 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.762 9.576 9.840 1.00 0.00 H new ATOM 1121 N LYS A 70 3.576 13.413 10.645 1.00 0.00 N ATOM 1122 CA LYS A 70 4.467 14.455 11.235 1.00 0.00 C ATOM 1123 C LYS A 70 4.867 15.435 10.136 1.00 0.00 C ATOM 1124 O LYS A 70 4.992 16.624 10.358 1.00 0.00 O ATOM 1125 CB LYS A 70 5.687 13.693 11.755 1.00 0.00 C ATOM 1126 CG LYS A 70 5.250 12.712 12.845 1.00 0.00 C ATOM 1127 CD LYS A 70 6.470 12.280 13.661 1.00 0.00 C ATOM 1128 CE LYS A 70 7.097 11.038 13.023 1.00 0.00 C ATOM 1129 NZ LYS A 70 7.961 10.454 14.087 1.00 0.00 N ATOM 0 H LYS A 70 4.058 12.617 10.227 1.00 0.00 H new ATOM 0 HA LYS A 70 3.991 15.025 12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.168 13.155 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.423 14.392 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.511 13.180 13.496 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.773 11.841 12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.199 13.089 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.176 12.065 14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.333 10.330 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.680 11.299 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.426 9.597 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.683 11.148 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.378 10.209 14.912 1.00 0.00 H new ATOM 1143 N ASP A 71 5.044 14.933 8.940 1.00 0.00 N ATOM 1144 CA ASP A 71 5.410 15.816 7.792 1.00 0.00 C ATOM 1145 C ASP A 71 4.282 16.818 7.553 1.00 0.00 C ATOM 1146 O ASP A 71 4.477 18.017 7.586 1.00 0.00 O ATOM 1147 CB ASP A 71 5.545 14.872 6.593 1.00 0.00 C ATOM 1148 CG ASP A 71 7.023 14.573 6.335 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.632 13.929 7.173 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.521 14.995 5.305 1.00 0.00 O ATOM 0 H ASP A 71 4.950 13.944 8.709 1.00 0.00 H new ATOM 0 HA ASP A 71 6.326 16.380 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.005 13.945 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.096 15.325 5.709 1.00 0.00 H new ATOM 1155 N ILE A 72 3.097 16.318 7.314 1.00 0.00 N ATOM 1156 CA ILE A 72 1.918 17.211 7.071 1.00 0.00 C ATOM 1157 C ILE A 72 1.779 18.235 8.211 1.00 0.00 C ATOM 1158 O ILE A 72 1.520 19.398 7.974 1.00 0.00 O ATOM 1159 CB ILE A 72 0.719 16.241 7.013 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.730 15.509 5.666 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -0.618 16.984 7.178 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.581 16.505 4.506 1.00 0.00 C ATOM 0 H ILE A 72 2.891 15.320 7.276 1.00 0.00 H new ATOM 0 HA ILE A 72 2.003 17.800 6.158 1.00 0.00 H new ATOM 0 HB ILE A 72 0.814 15.531 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.661 14.952 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.082 14.782 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.440 16.269 7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.634 17.494 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.729 17.716 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.591 15.965 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.362 17.043 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.408 17.215 4.528 1.00 0.00 H new ATOM 1174 N ALA A 73 1.954 17.810 9.436 1.00 0.00 N ATOM 1175 CA ALA A 73 1.836 18.760 10.586 1.00 0.00 C ATOM 1176 C ALA A 73 2.875 19.878 10.449 1.00 0.00 C ATOM 1177 O ALA A 73 2.541 21.047 10.410 1.00 0.00 O ATOM 1178 CB ALA A 73 2.115 17.922 11.835 1.00 0.00 C ATOM 0 H ALA A 73 2.173 16.847 9.691 1.00 0.00 H new ATOM 0 HA ALA A 73 0.855 19.233 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.046 18.554 12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.382 17.118 11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.116 17.496 11.771 1.00 0.00 H new ATOM 1184 N ALA A 74 4.132 19.521 10.381 1.00 0.00 N ATOM 1185 CA ALA A 74 5.207 20.553 10.252 1.00 0.00 C ATOM 1186 C ALA A 74 5.012 21.367 8.970 1.00 0.00 C ATOM 1187 O ALA A 74 5.233 22.563 8.947 1.00 0.00 O ATOM 1188 CB ALA A 74 6.518 19.766 10.192 1.00 0.00 C ATOM 0 H ALA A 74 4.462 18.556 10.409 1.00 0.00 H new ATOM 0 HA ALA A 74 5.196 21.259 11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.354 20.459 10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.633 19.181 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.502 19.097 9.332 1.00 0.00 H new ATOM 1194 N TYR A 75 4.596 20.725 7.909 1.00 0.00 N ATOM 1195 CA TYR A 75 4.379 21.455 6.623 1.00 0.00 C ATOM 1196 C TYR A 75 3.021 22.176 6.631 1.00 0.00 C ATOM 1197 O TYR A 75 2.754 23.009 5.783 1.00 0.00 O ATOM 1198 CB TYR A 75 4.405 20.373 5.541 1.00 0.00 C ATOM 1199 CG TYR A 75 5.139 20.890 4.327 1.00 0.00 C ATOM 1200 CD1 TYR A 75 6.535 20.996 4.346 1.00 0.00 C ATOM 1201 CD2 TYR A 75 4.425 21.265 3.183 1.00 0.00 C ATOM 1202 CE1 TYR A 75 7.216 21.477 3.222 1.00 0.00 C ATOM 1203 CE2 TYR A 75 5.107 21.746 2.058 1.00 0.00 C ATOM 1204 CZ TYR A 75 6.502 21.852 2.078 1.00 0.00 C ATOM 1205 OH TYR A 75 7.175 22.325 0.970 1.00 0.00 O ATOM 0 H TYR A 75 4.397 19.725 7.877 1.00 0.00 H new ATOM 0 HA TYR A 75 5.138 22.220 6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.895 19.476 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.388 20.090 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.086 20.706 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.348 21.183 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.293 21.559 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.556 22.035 1.175 1.00 0.00 H new ATOM 0 HH TYR A 75 8.065 21.918 0.930 1.00 0.00 H new ATOM 1215 N ARG A 76 2.164 21.867 7.578 1.00 0.00 N ATOM 1216 CA ARG A 76 0.828 22.540 7.631 1.00 0.00 C ATOM 1217 C ARG A 76 1.006 24.057 7.785 1.00 0.00 C ATOM 1218 O ARG A 76 0.734 24.815 6.872 1.00 0.00 O ATOM 1219 CB ARG A 76 0.120 21.948 8.854 1.00 0.00 C ATOM 1220 CG ARG A 76 -1.283 22.545 8.977 1.00 0.00 C ATOM 1221 CD ARG A 76 -2.132 21.666 9.899 1.00 0.00 C ATOM 1222 NE ARG A 76 -2.489 20.473 9.080 1.00 0.00 N ATOM 1223 CZ ARG A 76 -3.473 19.701 9.451 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -4.648 20.212 9.694 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -3.281 18.417 9.581 1.00 0.00 N ATOM 0 H ARG A 76 2.333 21.180 8.313 1.00 0.00 H new ATOM 0 HA ARG A 76 0.251 22.379 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.057 20.864 8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.695 22.157 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.225 23.558 9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.748 22.615 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.576 21.379 10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.024 22.194 10.235 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.965 20.261 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.798 21.216 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.417 19.608 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.362 18.017 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.050 17.813 9.871 1.00 0.00 H new ATOM 1239 N ALA A 77 1.461 24.502 8.930 1.00 0.00 N ATOM 1240 CA ALA A 77 1.656 25.969 9.145 1.00 0.00 C ATOM 1241 C ALA A 77 2.921 26.458 8.433 1.00 0.00 C ATOM 1242 O ALA A 77 3.051 27.626 8.119 1.00 0.00 O ATOM 1243 CB ALA A 77 1.794 26.138 10.660 1.00 0.00 C ATOM 0 H ALA A 77 1.706 23.912 9.725 1.00 0.00 H new ATOM 0 HA ALA A 77 0.827 26.551 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.940 27.192 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.889 25.778 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.651 25.564 11.014 1.00 0.00 H new ATOM 1249 N LYS A 78 3.848 25.573 8.177 1.00 0.00 N ATOM 1250 CA LYS A 78 5.109 25.978 7.484 1.00 0.00 C ATOM 1251 C LYS A 78 4.986 25.734 5.978 1.00 0.00 C ATOM 1252 O LYS A 78 3.870 25.572 5.513 1.00 0.00 O ATOM 1253 CB LYS A 78 6.196 25.086 8.085 1.00 0.00 C ATOM 1254 CG LYS A 78 7.568 25.718 7.840 1.00 0.00 C ATOM 1255 CD LYS A 78 8.626 24.978 8.662 1.00 0.00 C ATOM 1256 CE LYS A 78 10.013 25.518 8.314 1.00 0.00 C ATOM 1257 NZ LYS A 78 10.916 24.966 9.364 1.00 0.00 N ATOM 1258 OXT LYS A 78 6.011 25.713 5.315 1.00 0.00 O ATOM 0 H LYS A 78 3.787 24.584 8.418 1.00 0.00 H new ATOM 0 HA LYS A 78 5.332 27.037 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.028 24.960 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.156 24.093 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.818 25.671 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.549 26.772 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.431 25.107 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.579 23.909 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.323 25.198 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.024 26.608 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.888 25.293 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.601 25.292 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.890 23.927 9.333 1.00 0.00 H new TER 1272 LYS A 78