USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 802 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 102 TYR OH : rot 30:sc= -1.23 USER MOD Set 1.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 82 CYS SG : rot 180:sc= -3.63 USER MOD Set 2.2: A 86 ASN : amide:sc= -9.79! C(o=-13!,f=-14!) USER MOD Set 3.1: A 51 MET CE :methyl 169:sc= -0.143 (180deg=-0.642) USER MOD Set 3.2: A 59 LYS NZ :NH3+ 180:sc= -0.0133 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -112:sc= -0.0214 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -134:sc= -2.2! (180deg=-6.08!) USER MOD Single : A 20 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 22 MET CE :methyl -156:sc=-0.000167 (180deg=-0.328) USER MOD Single : A 24 THR OG1 : rot -15:sc= 0.98 USER MOD Single : A 25 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.16! C(o=-4.9!,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.831) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= -1.44! (180deg=-3.52!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc=-0.00055 (180deg=-0.128) USER MOD Single : A 54 SER OG : rot 117:sc= 1.07 USER MOD Single : A 55 THR OG1 : rot -179:sc= -0.0573 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 92:sc= 0.748 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 TYR OH : rot 6:sc= 0.367 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.77 F(o=-4.5!,f=-1.8) USER MOD Single : A 70 THR OG1 : rot -38:sc= -0.116 USER MOD Single : A 81 ASN : amide:sc= -0.753 K(o=-0.75,f=-8.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.138 USER MOD Single : A 97 HIS : no HD1:sc= -0.666 X(o=-0.67,f=-0.23) USER MOD Single : A 98 ASN : amide:sc= 0.496 K(o=0.5,f=-2.5!) USER MOD Single : A 99 MET CE :methyl -156:sc= -1.92 (180deg=-2.27) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 51:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -3.316 18.582 9.703 1.00 0.00 N ATOM 90 CA LYS A 10 -4.651 18.234 9.232 1.00 0.00 C ATOM 91 C LYS A 10 -4.578 17.386 7.967 1.00 0.00 C ATOM 92 O LYS A 10 -5.227 16.344 7.868 1.00 0.00 O ATOM 93 CB LYS A 10 -5.467 19.501 8.964 1.00 0.00 C ATOM 94 CG LYS A 10 -6.825 19.229 8.341 1.00 0.00 C ATOM 95 CD LYS A 10 -7.821 18.725 9.373 1.00 0.00 C ATOM 96 CE LYS A 10 -9.106 18.242 8.718 1.00 0.00 C ATOM 97 NZ LYS A 10 -10.241 18.212 9.681 1.00 0.00 N ATOM 0 HA LYS A 10 -5.143 17.651 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.608 20.038 9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.899 20.156 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.205 20.142 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.720 18.492 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.374 17.911 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.049 19.523 10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.356 18.896 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.952 17.244 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.098 17.878 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.013 17.569 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.405 19.169 10.054 1.00 0.00 H new ATOM 111 N ASP A 11 -3.784 17.837 7.002 1.00 0.00 N ATOM 112 CA ASP A 11 -3.624 17.118 5.744 1.00 0.00 C ATOM 113 C ASP A 11 -3.129 15.696 5.989 1.00 0.00 C ATOM 114 O ASP A 11 -3.706 14.731 5.486 1.00 0.00 O ATOM 115 CB ASP A 11 -2.649 17.860 4.829 1.00 0.00 C ATOM 116 CG ASP A 11 -1.447 18.400 5.579 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.550 17.601 5.918 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.404 19.623 5.827 1.00 0.00 O ATOM 0 H ASP A 11 -3.241 18.698 7.067 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.598 17.065 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.310 17.186 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.169 18.684 4.341 1.00 0.00 H new ATOM 123 N LEU A 12 -2.058 15.574 6.765 1.00 0.00 N ATOM 124 CA LEU A 12 -1.485 14.269 7.078 1.00 0.00 C ATOM 125 C LEU A 12 -2.479 13.408 7.848 1.00 0.00 C ATOM 126 O LEU A 12 -2.740 12.263 7.479 1.00 0.00 O ATOM 127 CB LEU A 12 -0.200 14.437 7.891 1.00 0.00 C ATOM 128 CG LEU A 12 1.086 14.624 7.084 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.254 14.936 8.006 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.377 13.385 6.250 1.00 0.00 C ATOM 0 H LEU A 12 -1.569 16.362 7.189 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.251 13.767 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.320 15.297 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.081 13.561 8.529 1.00 0.00 H new ATOM 0 HG LEU A 12 0.949 15.468 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.160 15.066 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.047 15.853 8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.394 14.114 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.295 13.536 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.494 12.523 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.550 13.207 5.562 1.00 0.00 H new ATOM 142 N ALA A 13 -3.033 13.966 8.920 1.00 0.00 N ATOM 143 CA ALA A 13 -4.002 13.251 9.740 1.00 0.00 C ATOM 144 C ALA A 13 -4.924 12.395 8.879 1.00 0.00 C ATOM 145 O ALA A 13 -5.263 11.268 9.244 1.00 0.00 O ATOM 146 CB ALA A 13 -4.814 14.231 10.574 1.00 0.00 C ATOM 0 H ALA A 13 -2.826 14.912 9.240 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.455 12.588 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.534 13.682 11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.146 14.796 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.345 14.918 9.914 1.00 0.00 H new ATOM 152 N LEU A 14 -5.328 12.936 7.735 1.00 0.00 N ATOM 153 CA LEU A 14 -6.213 12.221 6.821 1.00 0.00 C ATOM 154 C LEU A 14 -5.528 10.979 6.260 1.00 0.00 C ATOM 155 O LEU A 14 -6.101 9.889 6.261 1.00 0.00 O ATOM 156 CB LEU A 14 -6.646 13.140 5.677 1.00 0.00 C ATOM 157 CG LEU A 14 -7.718 14.175 6.017 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.685 15.325 5.021 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.096 13.529 6.042 1.00 0.00 C ATOM 0 H LEU A 14 -5.057 13.867 7.418 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.094 11.906 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.766 13.666 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.014 12.520 4.859 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.508 14.574 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.455 16.052 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.707 15.806 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.869 14.942 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.846 14.281 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.315 13.102 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.115 12.741 6.795 1.00 0.00 H new ATOM 171 N CYS A 15 -4.301 11.151 5.783 1.00 0.00 N ATOM 172 CA CYS A 15 -3.537 10.043 5.220 1.00 0.00 C ATOM 173 C CYS A 15 -3.628 8.810 6.113 1.00 0.00 C ATOM 174 O CYS A 15 -3.880 7.704 5.637 1.00 0.00 O ATOM 175 CB CYS A 15 -2.073 10.447 5.037 1.00 0.00 C ATOM 176 SG CYS A 15 -1.825 11.820 3.886 1.00 0.00 S ATOM 0 H CYS A 15 -3.813 12.047 5.775 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.964 9.797 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.659 10.721 6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.510 9.583 4.682 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.222 11.388 2.819 1.00 0.00 H new ATOM 182 N SER A 16 -3.421 9.009 7.411 1.00 0.00 N ATOM 183 CA SER A 16 -3.475 7.913 8.371 1.00 0.00 C ATOM 184 C SER A 16 -4.800 7.164 8.266 1.00 0.00 C ATOM 185 O SER A 16 -4.847 5.942 8.404 1.00 0.00 O ATOM 186 CB SER A 16 -3.285 8.442 9.793 1.00 0.00 C ATOM 187 OG SER A 16 -3.429 7.404 10.747 1.00 0.00 O ATOM 0 H SER A 16 -3.214 9.919 7.822 1.00 0.00 H new ATOM 0 HA SER A 16 -2.667 7.219 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.297 8.893 9.888 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.014 9.227 9.993 1.00 0.00 H new ATOM 0 HG SER A 16 -3.301 7.768 11.648 1.00 0.00 H new ATOM 193 N MET A 17 -5.874 7.907 8.022 1.00 0.00 N ATOM 194 CA MET A 17 -7.201 7.314 7.898 1.00 0.00 C ATOM 195 C MET A 17 -7.278 6.405 6.676 1.00 0.00 C ATOM 196 O MET A 17 -7.424 5.189 6.804 1.00 0.00 O ATOM 197 CB MET A 17 -8.265 8.409 7.801 1.00 0.00 C ATOM 198 CG MET A 17 -8.105 9.506 8.842 1.00 0.00 C ATOM 199 SD MET A 17 -9.674 10.273 9.290 1.00 0.00 S ATOM 200 CE MET A 17 -10.264 10.800 7.683 1.00 0.00 C ATOM 0 H MET A 17 -5.852 8.920 7.906 1.00 0.00 H new ATOM 0 HA MET A 17 -7.388 6.713 8.788 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.227 8.854 6.807 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.251 7.957 7.910 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.641 9.089 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.428 10.270 8.458 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.629 11.825 7.748 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.448 10.750 6.962 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.074 10.146 7.361 1.00 0.00 H new ATOM 210 N ILE A 18 -7.180 7.001 5.493 1.00 0.00 N ATOM 211 CA ILE A 18 -7.237 6.244 4.249 1.00 0.00 C ATOM 212 C ILE A 18 -6.365 4.996 4.325 1.00 0.00 C ATOM 213 O ILE A 18 -6.796 3.901 3.959 1.00 0.00 O ATOM 214 CB ILE A 18 -6.789 7.098 3.049 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.681 8.333 2.911 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.817 6.273 1.771 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.976 9.523 2.299 1.00 0.00 C ATOM 0 H ILE A 18 -7.061 8.006 5.370 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.277 5.950 4.106 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.765 7.430 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.546 8.079 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.058 8.611 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.498 6.891 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.143 5.422 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.830 5.914 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.669 10.362 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.127 9.803 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.623 9.263 1.301 1.00 0.00 H new ATOM 229 N LEU A 19 -5.138 5.166 4.803 1.00 0.00 N ATOM 230 CA LEU A 19 -4.204 4.052 4.929 1.00 0.00 C ATOM 231 C LEU A 19 -4.792 2.945 5.797 1.00 0.00 C ATOM 232 O LEU A 19 -4.957 1.810 5.349 1.00 0.00 O ATOM 233 CB LEU A 19 -2.881 4.535 5.524 1.00 0.00 C ATOM 234 CG LEU A 19 -1.768 3.491 5.623 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.303 3.073 4.237 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.602 4.030 6.439 1.00 0.00 C ATOM 0 H LEU A 19 -4.766 6.065 5.110 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.021 3.649 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.518 5.368 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.076 4.925 6.523 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.165 2.612 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.511 2.330 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.141 2.645 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.924 3.944 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.181 3.274 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.206 4.925 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.945 4.278 7.444 1.00 0.00 H new ATOM 248 N THR A 20 -5.108 3.282 7.044 1.00 0.00 N ATOM 249 CA THR A 20 -5.678 2.318 7.976 1.00 0.00 C ATOM 250 C THR A 20 -6.758 1.477 7.304 1.00 0.00 C ATOM 251 O THR A 20 -6.604 0.267 7.144 1.00 0.00 O ATOM 252 CB THR A 20 -6.280 3.016 9.209 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.262 3.742 9.907 1.00 0.00 O ATOM 254 CG2 THR A 20 -6.921 2.003 10.146 1.00 0.00 C ATOM 0 H THR A 20 -4.978 4.217 7.431 1.00 0.00 H new ATOM 0 HA THR A 20 -4.863 1.669 8.298 1.00 0.00 H new ATOM 0 HB THR A 20 -7.050 3.708 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.164 4.632 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.339 2.520 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.715 1.473 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.168 1.289 10.480 1.00 0.00 H new ATOM 262 N GLU A 21 -7.850 2.127 6.914 1.00 0.00 N ATOM 263 CA GLU A 21 -8.956 1.437 6.259 1.00 0.00 C ATOM 264 C GLU A 21 -8.439 0.405 5.261 1.00 0.00 C ATOM 265 O GLU A 21 -8.730 -0.785 5.376 1.00 0.00 O ATOM 266 CB GLU A 21 -9.863 2.442 5.546 1.00 0.00 C ATOM 267 CG GLU A 21 -10.439 3.503 6.469 1.00 0.00 C ATOM 268 CD GLU A 21 -11.626 3.000 7.267 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.316 2.077 6.784 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.865 3.527 8.373 1.00 0.00 O ATOM 0 H GLU A 21 -7.993 3.129 7.040 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.532 0.919 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.297 2.931 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.682 1.904 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.663 3.843 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.743 4.367 5.878 1.00 0.00 H new ATOM 277 N MET A 22 -7.670 0.871 4.282 1.00 0.00 N ATOM 278 CA MET A 22 -7.112 -0.012 3.264 1.00 0.00 C ATOM 279 C MET A 22 -6.344 -1.163 3.905 1.00 0.00 C ATOM 280 O MET A 22 -6.485 -2.316 3.499 1.00 0.00 O ATOM 281 CB MET A 22 -6.191 0.773 2.328 1.00 0.00 C ATOM 282 CG MET A 22 -6.915 1.825 1.504 1.00 0.00 C ATOM 283 SD MET A 22 -5.992 2.311 0.033 1.00 0.00 S ATOM 284 CE MET A 22 -4.396 2.698 0.747 1.00 0.00 C ATOM 0 H MET A 22 -7.419 1.854 4.172 1.00 0.00 H new ATOM 0 HA MET A 22 -7.937 -0.427 2.686 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.414 1.258 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.692 0.076 1.655 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.890 1.440 1.206 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.095 2.704 2.122 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.864 3.392 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.537 3.156 1.726 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.814 1.783 0.855 1.00 0.00 H new ATOM 294 N GLU A 23 -5.531 -0.842 4.907 1.00 0.00 N ATOM 295 CA GLU A 23 -4.741 -1.851 5.602 1.00 0.00 C ATOM 296 C GLU A 23 -5.638 -2.939 6.185 1.00 0.00 C ATOM 297 O GLU A 23 -5.175 -4.031 6.516 1.00 0.00 O ATOM 298 CB GLU A 23 -3.913 -1.205 6.715 1.00 0.00 C ATOM 299 CG GLU A 23 -2.670 -0.490 6.213 1.00 0.00 C ATOM 300 CD GLU A 23 -1.668 -0.218 7.318 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.007 -1.177 7.767 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.544 0.953 7.732 1.00 0.00 O ATOM 0 H GLU A 23 -5.403 0.108 5.255 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.068 -2.310 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.538 -0.493 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.616 -1.974 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.196 -1.093 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.960 0.453 5.750 1.00 0.00 H new ATOM 309 N THR A 24 -6.925 -2.632 6.310 1.00 0.00 N ATOM 310 CA THR A 24 -7.888 -3.580 6.855 1.00 0.00 C ATOM 311 C THR A 24 -8.818 -4.106 5.768 1.00 0.00 C ATOM 312 O THR A 24 -9.976 -4.432 6.031 1.00 0.00 O ATOM 313 CB THR A 24 -8.734 -2.943 7.974 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.493 -1.847 7.450 1.00 0.00 O ATOM 315 CG2 THR A 24 -7.848 -2.456 9.111 1.00 0.00 C ATOM 0 H THR A 24 -7.325 -1.733 6.041 1.00 0.00 H new ATOM 0 HA THR A 24 -7.314 -4.408 7.271 1.00 0.00 H new ATOM 0 HB THR A 24 -9.413 -3.701 8.363 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.141 -1.596 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.467 -2.010 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.293 -3.298 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.148 -1.711 8.733 1.00 0.00 H new ATOM 323 N HIS A 25 -8.304 -4.188 4.544 1.00 0.00 N ATOM 324 CA HIS A 25 -9.089 -4.676 3.416 1.00 0.00 C ATOM 325 C HIS A 25 -8.752 -6.132 3.110 1.00 0.00 C ATOM 326 O HIS A 25 -7.629 -6.580 3.340 1.00 0.00 O ATOM 327 CB HIS A 25 -8.838 -3.811 2.181 1.00 0.00 C ATOM 328 CG HIS A 25 -10.022 -3.710 1.270 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.156 -4.464 0.123 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.132 -2.938 1.343 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.296 -4.158 -0.471 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.908 -3.235 0.249 1.00 0.00 N ATOM 0 H HIS A 25 -7.348 -3.923 4.309 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.144 -4.614 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.550 -2.810 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.996 -4.222 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.364 -2.222 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.665 -4.590 -1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.810 -2.812 0.029 1.00 0.00 H new ATOM 340 N GLU A 26 -9.732 -6.865 2.590 1.00 0.00 N ATOM 341 CA GLU A 26 -9.539 -8.270 2.254 1.00 0.00 C ATOM 342 C GLU A 26 -8.615 -8.419 1.049 1.00 0.00 C ATOM 343 O GLU A 26 -8.265 -9.532 0.655 1.00 0.00 O ATOM 344 CB GLU A 26 -10.885 -8.938 1.964 1.00 0.00 C ATOM 345 CG GLU A 26 -11.566 -8.416 0.711 1.00 0.00 C ATOM 346 CD GLU A 26 -12.995 -8.907 0.576 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.252 -10.082 0.910 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.855 -8.115 0.136 1.00 0.00 O ATOM 0 H GLU A 26 -10.667 -6.509 2.393 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.075 -8.761 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.734 -10.013 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.547 -8.787 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.560 -7.326 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.995 -8.726 -0.164 1.00 0.00 H new ATOM 355 N ASP A 27 -8.224 -7.291 0.467 1.00 0.00 N ATOM 356 CA ASP A 27 -7.340 -7.294 -0.693 1.00 0.00 C ATOM 357 C ASP A 27 -6.236 -6.253 -0.538 1.00 0.00 C ATOM 358 O ASP A 27 -5.785 -5.662 -1.518 1.00 0.00 O ATOM 359 CB ASP A 27 -8.139 -7.023 -1.969 1.00 0.00 C ATOM 360 CG ASP A 27 -8.765 -8.280 -2.539 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.110 -9.343 -2.494 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.911 -8.202 -3.028 1.00 0.00 O ATOM 0 H ASP A 27 -8.505 -6.362 0.780 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.878 -8.278 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.922 -6.295 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.483 -6.576 -2.716 1.00 0.00 H new ATOM 367 N ALA A 28 -5.806 -6.034 0.700 1.00 0.00 N ATOM 368 CA ALA A 28 -4.754 -5.066 0.983 1.00 0.00 C ATOM 369 C ALA A 28 -3.548 -5.739 1.630 1.00 0.00 C ATOM 370 O ALA A 28 -2.539 -5.091 1.909 1.00 0.00 O ATOM 371 CB ALA A 28 -5.285 -3.957 1.879 1.00 0.00 C ATOM 0 H ALA A 28 -6.170 -6.514 1.523 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.431 -4.631 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.489 -3.241 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.110 -3.450 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.637 -4.385 2.818 1.00 0.00 H new ATOM 377 N TRP A 29 -3.658 -7.042 1.865 1.00 0.00 N ATOM 378 CA TRP A 29 -2.576 -7.802 2.479 1.00 0.00 C ATOM 379 C TRP A 29 -1.438 -8.026 1.490 1.00 0.00 C ATOM 380 O TRP A 29 -0.267 -8.121 1.859 1.00 0.00 O ATOM 381 CB TRP A 29 -3.096 -9.147 2.990 1.00 0.00 C ATOM 382 CG TRP A 29 -3.510 -10.079 1.892 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.786 -10.405 1.531 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.645 -10.807 1.013 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.767 -11.292 0.481 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.465 -11.553 0.145 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.257 -10.899 0.875 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.941 -12.380 -0.846 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.739 -11.720 -0.109 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.580 -12.451 -0.959 1.00 0.00 C ATOM 0 H TRP A 29 -4.486 -7.594 1.639 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.192 -7.225 3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.321 -9.624 3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.946 -8.973 3.649 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.679 -10.022 2.002 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.588 -11.691 0.026 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.601 -10.339 1.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.587 -12.945 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.332 -11.799 -0.225 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.144 -13.083 -1.719 1.00 0.00 H new ATOM 401 N PRO A 30 -1.784 -8.112 0.197 1.00 0.00 N ATOM 402 CA PRO A 30 -0.717 -8.326 -0.784 1.00 0.00 C ATOM 403 C PRO A 30 0.460 -7.378 -0.578 1.00 0.00 C ATOM 404 O PRO A 30 1.563 -7.627 -1.063 1.00 0.00 O ATOM 405 CB PRO A 30 -1.403 -8.043 -2.123 1.00 0.00 C ATOM 406 CG PRO A 30 -2.844 -8.328 -1.877 1.00 0.00 C ATOM 407 CD PRO A 30 -3.111 -8.025 -0.435 1.00 0.00 C ATOM 0 HA PRO A 30 -0.292 -9.327 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.251 -7.010 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.003 -8.677 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.474 -7.716 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.075 -9.369 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.549 -7.035 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.809 -8.740 0.001 1.00 0.00 H new ATOM 415 N PHE A 31 0.217 -6.291 0.147 1.00 0.00 N ATOM 416 CA PHE A 31 1.257 -5.305 0.418 1.00 0.00 C ATOM 417 C PHE A 31 1.555 -5.225 1.912 1.00 0.00 C ATOM 418 O PHE A 31 2.694 -4.992 2.318 1.00 0.00 O ATOM 419 CB PHE A 31 0.834 -3.930 -0.104 1.00 0.00 C ATOM 420 CG PHE A 31 -0.062 -3.995 -1.307 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.411 -4.280 -1.168 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.444 -3.771 -2.577 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.238 -4.341 -2.274 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.378 -3.831 -3.687 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.721 -4.115 -3.535 1.00 0.00 C ATOM 0 H PHE A 31 -0.690 -6.071 0.557 1.00 0.00 H new ATOM 0 HA PHE A 31 2.164 -5.619 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.321 -3.390 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.726 -3.356 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.821 -4.456 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.493 -3.547 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.287 -4.565 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.030 -3.656 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.366 -4.160 -4.400 1.00 0.00 H new ATOM 435 N LEU A 32 0.523 -5.420 2.726 1.00 0.00 N ATOM 436 CA LEU A 32 0.672 -5.370 4.176 1.00 0.00 C ATOM 437 C LEU A 32 2.073 -5.806 4.595 1.00 0.00 C ATOM 438 O LEU A 32 2.708 -5.168 5.435 1.00 0.00 O ATOM 439 CB LEU A 32 -0.374 -6.261 4.848 1.00 0.00 C ATOM 440 CG LEU A 32 -1.764 -5.649 5.023 1.00 0.00 C ATOM 441 CD1 LEU A 32 -2.730 -6.675 5.596 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.697 -4.419 5.916 1.00 0.00 C ATOM 0 H LEU A 32 -0.426 -5.614 2.406 1.00 0.00 H new ATOM 0 HA LEU A 32 0.521 -4.339 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.473 -7.176 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.000 -6.549 5.830 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.131 -5.342 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.714 -6.222 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.801 -7.526 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.368 -7.013 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.695 -3.997 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.309 -4.701 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.038 -3.677 5.465 1.00 0.00 H new ATOM 454 N LEU A 33 2.549 -6.895 4.002 1.00 0.00 N ATOM 455 CA LEU A 33 3.877 -7.416 4.311 1.00 0.00 C ATOM 456 C LEU A 33 4.837 -7.184 3.149 1.00 0.00 C ATOM 457 O LEU A 33 4.466 -7.268 1.978 1.00 0.00 O ATOM 458 CB LEU A 33 3.798 -8.909 4.633 1.00 0.00 C ATOM 459 CG LEU A 33 3.303 -9.269 6.034 1.00 0.00 C ATOM 460 CD1 LEU A 33 3.155 -10.776 6.177 1.00 0.00 C ATOM 461 CD2 LEU A 33 4.251 -8.722 7.091 1.00 0.00 C ATOM 0 H LEU A 33 2.036 -7.435 3.305 1.00 0.00 H new ATOM 0 HA LEU A 33 4.256 -6.882 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.140 -9.383 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.789 -9.342 4.497 1.00 0.00 H new ATOM 0 HG LEU A 33 2.324 -8.813 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.802 -11.013 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.437 -11.142 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.120 -11.254 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.883 -8.988 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.243 -9.149 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.307 -7.637 7.003 1.00 0.00 H new ATOM 473 N PRO A 34 6.103 -6.886 3.478 1.00 0.00 N ATOM 474 CA PRO A 34 7.144 -6.639 2.475 1.00 0.00 C ATOM 475 C PRO A 34 7.534 -7.905 1.720 1.00 0.00 C ATOM 476 O PRO A 34 7.785 -8.948 2.324 1.00 0.00 O ATOM 477 CB PRO A 34 8.323 -6.128 3.307 1.00 0.00 C ATOM 478 CG PRO A 34 8.106 -6.703 4.664 1.00 0.00 C ATOM 479 CD PRO A 34 6.616 -6.769 4.853 1.00 0.00 C ATOM 0 HA PRO A 34 6.812 -5.941 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.275 -6.453 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.344 -5.039 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.554 -7.694 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.569 -6.081 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.326 -7.624 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.234 -5.877 5.350 1.00 0.00 H new ATOM 487 N VAL A 35 7.583 -7.807 0.396 1.00 0.00 N ATOM 488 CA VAL A 35 7.944 -8.944 -0.442 1.00 0.00 C ATOM 489 C VAL A 35 9.342 -9.452 -0.107 1.00 0.00 C ATOM 490 O VAL A 35 10.317 -8.705 -0.173 1.00 0.00 O ATOM 491 CB VAL A 35 7.887 -8.580 -1.938 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.981 -7.583 -2.287 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.002 -9.831 -2.795 1.00 0.00 C ATOM 0 H VAL A 35 7.377 -6.952 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 35 7.216 -9.730 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 35 6.924 -8.113 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.925 -7.338 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.848 -6.676 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.955 -8.020 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.960 -9.555 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.950 -10.328 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.179 -10.507 -2.564 1.00 0.00 H new ATOM 503 N ASN A 36 9.431 -10.728 0.253 1.00 0.00 N ATOM 504 CA ASN A 36 10.710 -11.337 0.600 1.00 0.00 C ATOM 505 C ASN A 36 11.606 -11.457 -0.630 1.00 0.00 C ATOM 506 O ASN A 36 11.482 -12.401 -1.412 1.00 0.00 O ATOM 507 CB ASN A 36 10.490 -12.718 1.221 1.00 0.00 C ATOM 508 CG ASN A 36 11.557 -13.069 2.241 1.00 0.00 C ATOM 509 OD1 ASN A 36 12.805 -12.742 1.927 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 11.261 -13.628 3.297 1.00 0.00 N flip ATOM 0 H ASN A 36 8.633 -11.360 0.312 1.00 0.00 H new ATOM 0 HA ASN A 36 11.205 -10.694 1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.511 -12.747 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.483 -13.471 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.288 -13.860 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.989 -13.859 3.973 1.00 0.00 H new ATOM 517 N LEU A 37 12.508 -10.496 -0.794 1.00 0.00 N ATOM 518 CA LEU A 37 13.426 -10.494 -1.928 1.00 0.00 C ATOM 519 C LEU A 37 14.259 -11.771 -1.956 1.00 0.00 C ATOM 520 O LEU A 37 14.552 -12.311 -3.024 1.00 0.00 O ATOM 521 CB LEU A 37 14.345 -9.273 -1.863 1.00 0.00 C ATOM 522 CG LEU A 37 13.656 -7.925 -1.650 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.686 -6.815 -1.508 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.703 -7.626 -2.799 1.00 0.00 C ATOM 0 H LEU A 37 12.624 -9.708 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 37 12.835 -10.448 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.060 -9.424 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.917 -9.224 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 37 13.078 -7.976 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.177 -5.863 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.329 -7.022 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.292 -6.763 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.221 -6.663 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.260 -7.595 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.944 -8.406 -2.855 1.00 0.00 H new ATOM 536 N LYS A 38 14.637 -12.251 -0.777 1.00 0.00 N ATOM 537 CA LYS A 38 15.434 -13.467 -0.664 1.00 0.00 C ATOM 538 C LYS A 38 14.684 -14.664 -1.241 1.00 0.00 C ATOM 539 O LYS A 38 15.286 -15.555 -1.843 1.00 0.00 O ATOM 540 CB LYS A 38 15.792 -13.734 0.799 1.00 0.00 C ATOM 541 CG LYS A 38 16.895 -12.835 1.329 1.00 0.00 C ATOM 542 CD LYS A 38 16.332 -11.565 1.946 1.00 0.00 C ATOM 543 CE LYS A 38 17.437 -10.585 2.309 1.00 0.00 C ATOM 544 NZ LYS A 38 17.935 -9.844 1.116 1.00 0.00 N ATOM 0 H LYS A 38 14.404 -11.816 0.116 1.00 0.00 H new ATOM 0 HA LYS A 38 16.351 -13.324 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.901 -13.602 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.100 -14.774 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.479 -13.375 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.575 -12.576 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.642 -11.094 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.759 -11.816 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.065 -9.875 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.263 -11.124 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.687 -9.186 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.313 -10.519 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.153 -9.309 0.688 1.00 0.00 H new ATOM 558 N LEU A 39 13.369 -14.678 -1.056 1.00 0.00 N ATOM 559 CA LEU A 39 12.537 -15.765 -1.560 1.00 0.00 C ATOM 560 C LEU A 39 12.187 -15.547 -3.029 1.00 0.00 C ATOM 561 O LEU A 39 12.602 -16.316 -3.897 1.00 0.00 O ATOM 562 CB LEU A 39 11.256 -15.880 -0.731 1.00 0.00 C ATOM 563 CG LEU A 39 11.446 -16.048 0.777 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.102 -16.032 1.489 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.197 -17.337 1.080 1.00 0.00 C ATOM 0 H LEU A 39 12.856 -13.949 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 39 13.103 -16.692 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.654 -14.988 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.682 -16.729 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 39 12.039 -15.211 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.257 -16.153 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.601 -15.083 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.484 -16.849 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.323 -17.440 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.631 -18.186 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.176 -17.309 0.601 1.00 0.00 H new ATOM 577 N VAL A 40 11.423 -14.494 -3.300 1.00 0.00 N ATOM 578 CA VAL A 40 11.021 -14.173 -4.664 1.00 0.00 C ATOM 579 C VAL A 40 12.234 -14.037 -5.578 1.00 0.00 C ATOM 580 O VAL A 40 13.260 -13.467 -5.208 1.00 0.00 O ATOM 581 CB VAL A 40 10.205 -12.867 -4.716 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.860 -12.510 -6.153 1.00 0.00 C ATOM 583 CG2 VAL A 40 8.946 -12.993 -3.872 1.00 0.00 C ATOM 0 H VAL A 40 11.070 -13.849 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 40 10.398 -14.997 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 40 10.813 -12.062 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.284 -11.585 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.778 -12.376 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.270 -13.313 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.381 -12.062 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.333 -13.809 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.221 -13.198 -2.837 1.00 0.00 H new ATOM 593 N PRO A 41 12.116 -14.574 -6.801 1.00 0.00 N ATOM 594 CA PRO A 41 13.193 -14.526 -7.794 1.00 0.00 C ATOM 595 C PRO A 41 13.426 -13.116 -8.328 1.00 0.00 C ATOM 596 O PRO A 41 12.754 -12.676 -9.260 1.00 0.00 O ATOM 597 CB PRO A 41 12.688 -15.443 -8.911 1.00 0.00 C ATOM 598 CG PRO A 41 11.204 -15.419 -8.779 1.00 0.00 C ATOM 599 CD PRO A 41 10.921 -15.269 -7.309 1.00 0.00 C ATOM 0 HA PRO A 41 14.150 -14.833 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.004 -15.085 -9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.079 -16.454 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.775 -14.592 -9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.763 -16.336 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.014 -14.691 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.783 -16.236 -6.826 1.00 0.00 H new ATOM 607 N GLY A 42 14.383 -12.413 -7.731 1.00 0.00 N ATOM 608 CA GLY A 42 14.688 -11.060 -8.160 1.00 0.00 C ATOM 609 C GLY A 42 13.450 -10.190 -8.256 1.00 0.00 C ATOM 610 O GLY A 42 12.871 -10.040 -9.332 1.00 0.00 O ATOM 0 H GLY A 42 14.953 -12.756 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.391 -10.610 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.182 -11.093 -9.131 1.00 0.00 H new ATOM 614 N TYR A 43 13.044 -9.617 -7.129 1.00 0.00 N ATOM 615 CA TYR A 43 11.865 -8.760 -7.090 1.00 0.00 C ATOM 616 C TYR A 43 12.238 -7.306 -7.363 1.00 0.00 C ATOM 617 O TYR A 43 11.476 -6.561 -7.979 1.00 0.00 O ATOM 618 CB TYR A 43 11.171 -8.874 -5.732 1.00 0.00 C ATOM 619 CG TYR A 43 9.913 -8.042 -5.623 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.979 -6.675 -5.380 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.658 -8.623 -5.761 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.832 -5.912 -5.279 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.506 -7.867 -5.663 1.00 0.00 C ATOM 624 CZ TYR A 43 7.598 -6.512 -5.422 1.00 0.00 C ATOM 625 OH TYR A 43 6.453 -5.755 -5.322 1.00 0.00 O ATOM 0 H TYR A 43 13.513 -9.730 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 43 11.180 -9.092 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.923 -9.919 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.867 -8.569 -4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.943 -6.202 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.582 -9.684 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.901 -4.851 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.539 -8.334 -5.774 1.00 0.00 H new ATOM 0 HH TYR A 43 5.669 -6.329 -5.448 1.00 0.00 H new ATOM 635 N LYS A 44 13.418 -6.908 -6.900 1.00 0.00 N ATOM 636 CA LYS A 44 13.897 -5.545 -7.094 1.00 0.00 C ATOM 637 C LYS A 44 14.127 -5.254 -8.573 1.00 0.00 C ATOM 638 O LYS A 44 13.704 -4.218 -9.086 1.00 0.00 O ATOM 639 CB LYS A 44 15.193 -5.321 -6.312 1.00 0.00 C ATOM 640 CG LYS A 44 15.022 -5.429 -4.806 1.00 0.00 C ATOM 641 CD LYS A 44 16.359 -5.369 -4.087 1.00 0.00 C ATOM 642 CE LYS A 44 16.739 -3.938 -3.736 1.00 0.00 C ATOM 643 NZ LYS A 44 17.413 -3.249 -4.872 1.00 0.00 N ATOM 0 H LYS A 44 14.061 -7.511 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 44 13.133 -4.862 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.935 -6.050 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.588 -4.334 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.381 -4.621 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.519 -6.365 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.311 -5.968 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.132 -5.808 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.844 -3.383 -3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.399 -3.940 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.055 -2.518 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.958 -3.942 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.698 -2.806 -5.483 1.00 0.00 H new ATOM 657 N LYS A 45 14.798 -6.177 -9.255 1.00 0.00 N ATOM 658 CA LYS A 45 15.082 -6.022 -10.677 1.00 0.00 C ATOM 659 C LYS A 45 13.901 -5.384 -11.401 1.00 0.00 C ATOM 660 O LYS A 45 14.074 -4.469 -12.207 1.00 0.00 O ATOM 661 CB LYS A 45 15.405 -7.380 -11.304 1.00 0.00 C ATOM 662 CG LYS A 45 16.812 -7.868 -11.006 1.00 0.00 C ATOM 663 CD LYS A 45 17.796 -7.418 -12.072 1.00 0.00 C ATOM 664 CE LYS A 45 17.555 -8.135 -13.392 1.00 0.00 C ATOM 665 NZ LYS A 45 16.612 -7.385 -14.267 1.00 0.00 N ATOM 0 H LYS A 45 15.155 -7.040 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 45 15.946 -5.366 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.689 -8.118 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.274 -7.313 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.130 -7.492 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.815 -8.956 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.707 -6.342 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.814 -7.610 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.504 -8.268 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.156 -9.130 -13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.757 -7.956 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.350 -6.490 -13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.069 -7.185 -15.179 1.00 0.00 H new ATOM 679 N VAL A 46 12.699 -5.870 -11.108 1.00 0.00 N ATOM 680 CA VAL A 46 11.489 -5.346 -11.730 1.00 0.00 C ATOM 681 C VAL A 46 10.978 -4.116 -10.987 1.00 0.00 C ATOM 682 O VAL A 46 10.659 -3.097 -11.599 1.00 0.00 O ATOM 683 CB VAL A 46 10.374 -6.407 -11.771 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.063 -5.787 -12.231 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.772 -7.564 -12.675 1.00 0.00 C ATOM 0 H VAL A 46 12.537 -6.626 -10.443 1.00 0.00 H new ATOM 0 HA VAL A 46 11.753 -5.068 -12.750 1.00 0.00 H new ATOM 0 HB VAL A 46 10.230 -6.796 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.287 -6.552 -12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.772 -4.996 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.189 -5.368 -13.229 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.972 -8.304 -12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.945 -7.193 -13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.685 -8.024 -12.296 1.00 0.00 H new ATOM 695 N ILE A 47 10.904 -4.219 -9.664 1.00 0.00 N ATOM 696 CA ILE A 47 10.434 -3.115 -8.837 1.00 0.00 C ATOM 697 C ILE A 47 11.599 -2.265 -8.341 1.00 0.00 C ATOM 698 O ILE A 47 12.458 -2.742 -7.599 1.00 0.00 O ATOM 699 CB ILE A 47 9.629 -3.622 -7.626 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.526 -4.578 -8.083 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.038 -2.450 -6.856 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.565 -3.961 -9.075 1.00 0.00 C ATOM 0 H ILE A 47 11.164 -5.056 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 47 9.784 -2.505 -9.464 1.00 0.00 H new ATOM 0 HB ILE A 47 10.301 -4.166 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.983 -5.459 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.967 -4.918 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.472 -2.824 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.842 -1.804 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.376 -1.882 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.810 -4.695 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.080 -3.096 -8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.112 -3.646 -9.964 1.00 0.00 H new ATOM 714 N LYS A 48 11.620 -1.002 -8.752 1.00 0.00 N ATOM 715 CA LYS A 48 12.677 -0.083 -8.347 1.00 0.00 C ATOM 716 C LYS A 48 12.501 0.342 -6.893 1.00 0.00 C ATOM 717 O LYS A 48 13.476 0.487 -6.155 1.00 0.00 O ATOM 718 CB LYS A 48 12.683 1.150 -9.254 1.00 0.00 C ATOM 719 CG LYS A 48 12.863 0.823 -10.726 1.00 0.00 C ATOM 720 CD LYS A 48 14.331 0.693 -11.093 1.00 0.00 C ATOM 721 CE LYS A 48 14.947 2.046 -11.414 1.00 0.00 C ATOM 722 NZ LYS A 48 16.373 1.922 -11.828 1.00 0.00 N ATOM 0 H LYS A 48 10.917 -0.591 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 48 13.631 -0.601 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.746 1.691 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.484 1.818 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.345 -0.107 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.403 1.604 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.874 0.231 -10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.435 0.031 -11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.378 2.524 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.878 2.693 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.757 2.865 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.922 1.489 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.437 1.325 -12.677 1.00 0.00 H new ATOM 736 N LYS A 49 11.251 0.540 -6.487 1.00 0.00 N ATOM 737 CA LYS A 49 10.946 0.946 -5.120 1.00 0.00 C ATOM 738 C LYS A 49 9.848 0.071 -4.525 1.00 0.00 C ATOM 739 O LYS A 49 8.662 0.396 -4.583 1.00 0.00 O ATOM 740 CB LYS A 49 10.517 2.414 -5.086 1.00 0.00 C ATOM 741 CG LYS A 49 11.676 3.383 -4.918 1.00 0.00 C ATOM 742 CD LYS A 49 11.234 4.668 -4.238 1.00 0.00 C ATOM 743 CE LYS A 49 10.326 5.491 -5.139 1.00 0.00 C ATOM 744 NZ LYS A 49 11.067 6.074 -6.291 1.00 0.00 N ATOM 0 H LYS A 49 10.433 0.426 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 49 11.849 0.824 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.987 2.651 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.812 2.559 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.463 2.911 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.102 3.615 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.711 4.430 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.110 5.257 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.516 4.863 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.868 6.292 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.478 6.797 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.948 6.510 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.293 5.323 -6.974 1.00 0.00 H new ATOM 758 N PRO A 50 10.249 -1.066 -3.937 1.00 0.00 N ATOM 759 CA PRO A 50 9.314 -2.010 -3.318 1.00 0.00 C ATOM 760 C PRO A 50 8.690 -1.456 -2.042 1.00 0.00 C ATOM 761 O PRO A 50 9.135 -1.766 -0.937 1.00 0.00 O ATOM 762 CB PRO A 50 10.193 -3.223 -3.000 1.00 0.00 C ATOM 763 CG PRO A 50 11.569 -2.669 -2.867 1.00 0.00 C ATOM 764 CD PRO A 50 11.647 -1.517 -3.831 1.00 0.00 C ATOM 0 HA PRO A 50 8.471 -2.236 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.873 -3.714 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.141 -3.968 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.759 -2.337 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.318 -3.425 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.298 -0.725 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.043 -1.828 -4.798 1.00 0.00 H new ATOM 772 N MET A 51 7.658 -0.634 -2.202 1.00 0.00 N ATOM 773 CA MET A 51 6.972 -0.038 -1.062 1.00 0.00 C ATOM 774 C MET A 51 5.930 -0.996 -0.493 1.00 0.00 C ATOM 775 O MET A 51 5.579 -1.993 -1.124 1.00 0.00 O ATOM 776 CB MET A 51 6.304 1.276 -1.471 1.00 0.00 C ATOM 777 CG MET A 51 5.786 2.087 -0.294 1.00 0.00 C ATOM 778 SD MET A 51 7.061 2.415 0.938 1.00 0.00 S ATOM 779 CE MET A 51 8.344 3.134 -0.085 1.00 0.00 C ATOM 0 H MET A 51 7.279 -0.366 -3.110 1.00 0.00 H new ATOM 0 HA MET A 51 7.714 0.165 -0.289 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.019 1.879 -2.030 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.475 1.058 -2.145 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.386 3.033 -0.658 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.961 1.552 0.176 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.116 3.567 0.551 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.784 2.360 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.914 3.913 -0.715 1.00 0.00 H new ATOM 789 N ASP A 52 5.439 -0.687 0.702 1.00 0.00 N ATOM 790 CA ASP A 52 4.436 -1.520 1.356 1.00 0.00 C ATOM 791 C ASP A 52 3.737 -0.752 2.474 1.00 0.00 C ATOM 792 O ASP A 52 4.259 0.241 2.980 1.00 0.00 O ATOM 793 CB ASP A 52 5.083 -2.787 1.918 1.00 0.00 C ATOM 794 CG ASP A 52 6.266 -2.484 2.816 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.285 -1.977 2.303 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.173 -2.755 4.031 1.00 0.00 O ATOM 0 H ASP A 52 5.719 0.134 1.238 1.00 0.00 H new ATOM 0 HA ASP A 52 3.691 -1.801 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.340 -3.352 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.409 -3.421 1.094 1.00 0.00 H new ATOM 801 N PHE A 53 2.552 -1.219 2.854 1.00 0.00 N ATOM 802 CA PHE A 53 1.780 -0.576 3.910 1.00 0.00 C ATOM 803 C PHE A 53 2.543 -0.596 5.231 1.00 0.00 C ATOM 804 O PHE A 53 2.691 0.433 5.890 1.00 0.00 O ATOM 805 CB PHE A 53 0.428 -1.272 4.079 1.00 0.00 C ATOM 806 CG PHE A 53 -0.444 -1.192 2.858 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.507 -0.027 2.110 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.200 -2.282 2.458 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.309 0.048 0.987 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.003 -2.213 1.335 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.057 -1.046 0.598 1.00 0.00 C ATOM 0 H PHE A 53 2.106 -2.041 2.446 1.00 0.00 H new ATOM 0 HA PHE A 53 1.613 0.462 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.596 -2.320 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.099 -0.825 4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.077 0.831 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.161 -3.197 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.351 0.962 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.587 -3.070 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.683 -0.989 -0.280 1.00 0.00 H new ATOM 821 N SER A 54 3.025 -1.775 5.611 1.00 0.00 N ATOM 822 CA SER A 54 3.769 -1.931 6.856 1.00 0.00 C ATOM 823 C SER A 54 4.846 -0.858 6.983 1.00 0.00 C ATOM 824 O SER A 54 5.160 -0.403 8.083 1.00 0.00 O ATOM 825 CB SER A 54 4.406 -3.320 6.922 1.00 0.00 C ATOM 826 OG SER A 54 3.539 -4.250 7.548 1.00 0.00 O ATOM 0 H SER A 54 2.914 -2.636 5.075 1.00 0.00 H new ATOM 0 HA SER A 54 3.071 -1.819 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.645 -3.662 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.346 -3.267 7.472 1.00 0.00 H new ATOM 0 HG SER A 54 3.300 -4.955 6.910 1.00 0.00 H new ATOM 832 N THR A 55 5.411 -0.458 5.847 1.00 0.00 N ATOM 833 CA THR A 55 6.454 0.560 5.830 1.00 0.00 C ATOM 834 C THR A 55 5.854 1.961 5.779 1.00 0.00 C ATOM 835 O THR A 55 6.221 2.832 6.569 1.00 0.00 O ATOM 836 CB THR A 55 7.399 0.375 4.628 1.00 0.00 C ATOM 837 OG1 THR A 55 8.066 -0.889 4.719 1.00 0.00 O ATOM 838 CG2 THR A 55 8.429 1.494 4.572 1.00 0.00 C ATOM 0 H THR A 55 5.163 -0.824 4.928 1.00 0.00 H new ATOM 0 HA THR A 55 7.024 0.445 6.752 1.00 0.00 H new ATOM 0 HB THR A 55 6.802 0.406 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.675 -0.993 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.085 1.342 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.920 2.453 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.021 1.490 5.487 1.00 0.00 H new ATOM 846 N ILE A 56 4.931 2.170 4.847 1.00 0.00 N ATOM 847 CA ILE A 56 4.279 3.466 4.696 1.00 0.00 C ATOM 848 C ILE A 56 3.711 3.954 6.024 1.00 0.00 C ATOM 849 O ILE A 56 3.812 5.134 6.358 1.00 0.00 O ATOM 850 CB ILE A 56 3.145 3.407 3.655 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.720 3.188 2.254 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.318 4.683 3.701 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.679 2.795 1.229 1.00 0.00 C ATOM 0 H ILE A 56 4.617 1.460 4.185 1.00 0.00 H new ATOM 0 HA ILE A 56 5.041 4.165 4.352 1.00 0.00 H new ATOM 0 HB ILE A 56 2.494 2.566 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.214 4.102 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.484 2.412 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.521 4.627 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.883 4.799 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.957 5.539 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.157 2.656 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.201 1.864 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.928 3.581 1.154 1.00 0.00 H new ATOM 865 N ARG A 57 3.114 3.037 6.779 1.00 0.00 N ATOM 866 CA ARG A 57 2.530 3.373 8.071 1.00 0.00 C ATOM 867 C ARG A 57 3.584 3.954 9.009 1.00 0.00 C ATOM 868 O ARG A 57 3.523 5.127 9.376 1.00 0.00 O ATOM 869 CB ARG A 57 1.894 2.135 8.706 1.00 0.00 C ATOM 870 CG ARG A 57 0.707 2.451 9.600 1.00 0.00 C ATOM 871 CD ARG A 57 1.151 3.048 10.926 1.00 0.00 C ATOM 872 NE ARG A 57 1.897 2.089 11.736 1.00 0.00 N ATOM 873 CZ ARG A 57 2.074 2.215 13.046 1.00 0.00 C ATOM 874 NH1 ARG A 57 1.562 3.254 13.691 1.00 0.00 N ATOM 875 NH2 ARG A 57 2.765 1.300 13.715 1.00 0.00 N ATOM 0 H ARG A 57 3.022 2.055 6.517 1.00 0.00 H new ATOM 0 HA ARG A 57 1.758 4.125 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.572 1.456 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.649 1.609 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.042 3.148 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.135 1.541 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.771 3.925 10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.277 3.389 11.481 1.00 0.00 H new ATOM 0 HE ARG A 57 2.304 1.278 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.030 3.959 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.700 3.348 14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.161 0.499 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.900 1.398 14.721 1.00 0.00 H new ATOM 889 N GLU A 58 4.549 3.125 9.394 1.00 0.00 N ATOM 890 CA GLU A 58 5.615 3.556 10.290 1.00 0.00 C ATOM 891 C GLU A 58 6.184 4.902 9.850 1.00 0.00 C ATOM 892 O GLU A 58 6.528 5.745 10.679 1.00 0.00 O ATOM 893 CB GLU A 58 6.730 2.509 10.335 1.00 0.00 C ATOM 894 CG GLU A 58 6.309 1.200 10.982 1.00 0.00 C ATOM 895 CD GLU A 58 6.509 1.202 12.485 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.338 1.997 12.973 1.00 0.00 O ATOM 897 OE2 GLU A 58 5.834 0.408 13.173 1.00 0.00 O ATOM 0 H GLU A 58 4.614 2.151 9.099 1.00 0.00 H new ATOM 0 HA GLU A 58 5.192 3.668 11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.071 2.309 9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.580 2.918 10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.259 1.010 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.881 0.382 10.544 1.00 0.00 H new ATOM 904 N LYS A 59 6.280 5.097 8.539 1.00 0.00 N ATOM 905 CA LYS A 59 6.807 6.340 7.987 1.00 0.00 C ATOM 906 C LYS A 59 5.814 7.482 8.176 1.00 0.00 C ATOM 907 O LYS A 59 6.196 8.596 8.538 1.00 0.00 O ATOM 908 CB LYS A 59 7.124 6.166 6.500 1.00 0.00 C ATOM 909 CG LYS A 59 8.314 5.261 6.233 1.00 0.00 C ATOM 910 CD LYS A 59 8.345 4.792 4.788 1.00 0.00 C ATOM 911 CE LYS A 59 8.724 5.923 3.843 1.00 0.00 C ATOM 912 NZ LYS A 59 9.144 5.414 2.509 1.00 0.00 N ATOM 0 H LYS A 59 6.000 4.410 7.839 1.00 0.00 H new ATOM 0 HA LYS A 59 7.724 6.587 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.248 5.758 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.317 7.145 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.236 5.794 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.271 4.397 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.059 3.975 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.367 4.397 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.875 6.596 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.534 6.506 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.394 6.215 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.970 4.791 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.362 4.879 2.080 1.00 0.00 H new ATOM 926 N LEU A 60 4.540 7.200 7.930 1.00 0.00 N ATOM 927 CA LEU A 60 3.492 8.204 8.075 1.00 0.00 C ATOM 928 C LEU A 60 3.501 8.803 9.478 1.00 0.00 C ATOM 929 O LEU A 60 3.684 10.008 9.648 1.00 0.00 O ATOM 930 CB LEU A 60 2.123 7.587 7.781 1.00 0.00 C ATOM 931 CG LEU A 60 1.084 8.523 7.161 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.285 7.862 7.142 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.032 9.840 7.921 1.00 0.00 C ATOM 0 H LEU A 60 4.207 6.284 7.629 1.00 0.00 H new ATOM 0 HA LEU A 60 3.686 9.002 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.265 6.739 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.717 7.192 8.712 1.00 0.00 H new ATOM 0 HG LEU A 60 1.378 8.732 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.011 8.542 6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.239 6.946 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.588 7.623 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.288 10.493 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.762 9.650 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.009 10.321 7.882 1.00 0.00 H new ATOM 945 N SER A 61 3.307 7.952 10.480 1.00 0.00 N ATOM 946 CA SER A 61 3.291 8.397 11.869 1.00 0.00 C ATOM 947 C SER A 61 4.635 9.005 12.259 1.00 0.00 C ATOM 948 O SER A 61 4.693 9.997 12.986 1.00 0.00 O ATOM 949 CB SER A 61 2.958 7.228 12.798 1.00 0.00 C ATOM 950 OG SER A 61 1.613 6.814 12.634 1.00 0.00 O ATOM 0 H SER A 61 3.159 6.950 10.356 1.00 0.00 H new ATOM 0 HA SER A 61 2.522 9.162 11.971 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.627 6.393 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.127 7.523 13.834 1.00 0.00 H new ATOM 0 HG SER A 61 1.425 6.065 13.237 1.00 0.00 H new ATOM 956 N SER A 62 5.714 8.402 11.770 1.00 0.00 N ATOM 957 CA SER A 62 7.059 8.880 12.070 1.00 0.00 C ATOM 958 C SER A 62 7.250 10.310 11.574 1.00 0.00 C ATOM 959 O SER A 62 8.145 11.022 12.028 1.00 0.00 O ATOM 960 CB SER A 62 8.104 7.963 11.432 1.00 0.00 C ATOM 961 OG SER A 62 8.402 6.865 12.276 1.00 0.00 O ATOM 0 H SER A 62 5.683 7.582 11.164 1.00 0.00 H new ATOM 0 HA SER A 62 7.189 8.868 13.152 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.736 7.599 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.014 8.528 11.230 1.00 0.00 H new ATOM 0 HG SER A 62 7.821 6.110 12.048 1.00 0.00 H new ATOM 967 N GLY A 63 6.401 10.724 10.638 1.00 0.00 N ATOM 968 CA GLY A 63 6.493 12.067 10.095 1.00 0.00 C ATOM 969 C GLY A 63 7.464 12.158 8.935 1.00 0.00 C ATOM 970 O GLY A 63 8.169 13.156 8.786 1.00 0.00 O ATOM 0 H GLY A 63 5.652 10.154 10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.506 12.390 9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.806 12.753 10.882 1.00 0.00 H new ATOM 974 N GLN A 64 7.503 11.113 8.114 1.00 0.00 N ATOM 975 CA GLN A 64 8.398 11.080 6.964 1.00 0.00 C ATOM 976 C GLN A 64 7.827 11.891 5.806 1.00 0.00 C ATOM 977 O GLN A 64 8.568 12.521 5.050 1.00 0.00 O ATOM 978 CB GLN A 64 8.639 9.636 6.520 1.00 0.00 C ATOM 979 CG GLN A 64 9.391 8.802 7.544 1.00 0.00 C ATOM 980 CD GLN A 64 10.894 8.863 7.357 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.441 9.896 6.971 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.570 7.753 7.630 1.00 0.00 N ATOM 0 H GLN A 64 6.926 10.279 8.224 1.00 0.00 H new ATOM 0 HA GLN A 64 9.347 11.525 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.679 9.163 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.200 9.641 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.139 9.150 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.062 7.765 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.075 6.920 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.584 7.734 7.522 1.00 0.00 H new ATOM 991 N TYR A 65 6.505 11.873 5.672 1.00 0.00 N ATOM 992 CA TYR A 65 5.834 12.605 4.604 1.00 0.00 C ATOM 993 C TYR A 65 5.611 14.061 5.000 1.00 0.00 C ATOM 994 O TYR A 65 4.828 14.375 5.897 1.00 0.00 O ATOM 995 CB TYR A 65 4.496 11.945 4.268 1.00 0.00 C ATOM 996 CG TYR A 65 4.619 10.487 3.887 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.347 10.099 2.769 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.006 9.497 4.645 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.461 8.768 2.417 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.116 8.163 4.302 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.845 7.804 3.187 1.00 0.00 C ATOM 1002 OH TYR A 65 4.956 6.477 2.841 1.00 0.00 O ATOM 0 H TYR A 65 5.877 11.359 6.290 1.00 0.00 H new ATOM 0 HA TYR A 65 6.474 12.581 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.831 12.032 5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.028 12.488 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.832 10.851 2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.434 9.775 5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.029 8.484 1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.634 7.406 4.903 1.00 0.00 H new ATOM 0 HH TYR A 65 5.577 6.386 2.089 1.00 0.00 H new ATOM 1012 N PRO A 66 6.314 14.974 4.313 1.00 0.00 N ATOM 1013 CA PRO A 66 6.210 16.413 4.573 1.00 0.00 C ATOM 1014 C PRO A 66 4.863 16.984 4.142 1.00 0.00 C ATOM 1015 O PRO A 66 4.417 18.006 4.661 1.00 0.00 O ATOM 1016 CB PRO A 66 7.338 17.009 3.728 1.00 0.00 C ATOM 1017 CG PRO A 66 7.554 16.021 2.633 1.00 0.00 C ATOM 1018 CD PRO A 66 7.266 14.672 3.231 1.00 0.00 C ATOM 0 HA PRO A 66 6.289 16.642 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.062 17.986 3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.243 17.150 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.894 16.223 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.576 16.071 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.837 13.990 2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.171 14.200 3.613 1.00 0.00 H new ATOM 1026 N ASN A 67 4.220 16.315 3.190 1.00 0.00 N ATOM 1027 CA ASN A 67 2.923 16.757 2.689 1.00 0.00 C ATOM 1028 C ASN A 67 2.144 15.588 2.093 1.00 0.00 C ATOM 1029 O ASN A 67 2.587 14.440 2.147 1.00 0.00 O ATOM 1030 CB ASN A 67 3.106 17.853 1.637 1.00 0.00 C ATOM 1031 CG ASN A 67 4.349 17.644 0.795 1.00 0.00 C ATOM 1032 OD1 ASN A 67 5.507 17.973 1.358 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 4.271 17.193 -0.348 1.00 0.00 N flip ATOM 0 H ASN A 67 4.575 15.466 2.750 1.00 0.00 H new ATOM 0 HA ASN A 67 2.355 17.160 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.231 17.879 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.165 18.822 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.361 16.954 -0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.117 17.059 -0.902 1.00 0.00 H new ATOM 1040 N LEU A 68 0.982 15.889 1.524 1.00 0.00 N ATOM 1041 CA LEU A 68 0.140 14.864 0.916 1.00 0.00 C ATOM 1042 C LEU A 68 0.807 14.277 -0.324 1.00 0.00 C ATOM 1043 O LEU A 68 0.950 13.061 -0.446 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.224 15.450 0.547 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.047 16.016 1.704 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.217 16.833 1.178 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.541 14.894 2.606 1.00 0.00 C ATOM 0 H LEU A 68 0.601 16.834 1.471 1.00 0.00 H new ATOM 0 HA LEU A 68 0.000 14.064 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.070 16.243 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.810 14.673 0.057 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.407 16.673 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.791 17.228 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.842 17.659 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.858 16.198 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.125 15.315 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.165 14.211 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.688 14.351 3.012 1.00 0.00 H new ATOM 1059 N GLU A 69 1.214 15.149 -1.240 1.00 0.00 N ATOM 1060 CA GLU A 69 1.867 14.716 -2.470 1.00 0.00 C ATOM 1061 C GLU A 69 2.769 13.513 -2.212 1.00 0.00 C ATOM 1062 O GLU A 69 2.598 12.453 -2.815 1.00 0.00 O ATOM 1063 CB GLU A 69 2.686 15.862 -3.070 1.00 0.00 C ATOM 1064 CG GLU A 69 3.172 15.587 -4.483 1.00 0.00 C ATOM 1065 CD GLU A 69 2.039 15.267 -5.438 1.00 0.00 C ATOM 1066 OE1 GLU A 69 1.056 16.036 -5.472 1.00 0.00 O ATOM 1067 OE2 GLU A 69 2.135 14.246 -6.151 1.00 0.00 O ATOM 0 H GLU A 69 1.103 16.159 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 69 1.092 14.423 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.080 16.768 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.547 16.056 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.718 16.456 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.874 14.753 -4.466 1.00 0.00 H new ATOM 1074 N THR A 70 3.732 13.684 -1.311 1.00 0.00 N ATOM 1075 CA THR A 70 4.662 12.614 -0.974 1.00 0.00 C ATOM 1076 C THR A 70 3.919 11.350 -0.558 1.00 0.00 C ATOM 1077 O THR A 70 4.066 10.298 -1.181 1.00 0.00 O ATOM 1078 CB THR A 70 5.613 13.034 0.163 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.857 13.456 1.303 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.531 14.160 -0.288 1.00 0.00 C ATOM 0 H THR A 70 3.888 14.554 -0.802 1.00 0.00 H new ATOM 0 HA THR A 70 5.247 12.410 -1.871 1.00 0.00 H new ATOM 0 HB THR A 70 6.225 12.173 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.070 13.958 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.193 14.440 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.126 13.826 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.932 15.022 -0.581 1.00 0.00 H new ATOM 1088 N PHE A 71 3.120 11.459 0.498 1.00 0.00 N ATOM 1089 CA PHE A 71 2.353 10.324 0.997 1.00 0.00 C ATOM 1090 C PHE A 71 1.664 9.587 -0.148 1.00 0.00 C ATOM 1091 O PHE A 71 1.761 8.366 -0.263 1.00 0.00 O ATOM 1092 CB PHE A 71 1.312 10.792 2.016 1.00 0.00 C ATOM 1093 CG PHE A 71 0.372 9.706 2.456 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.720 8.845 3.484 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.858 9.546 1.840 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.143 7.845 3.891 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.725 8.548 2.243 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.367 7.696 3.269 1.00 0.00 C ATOM 0 H PHE A 71 2.987 12.322 1.025 1.00 0.00 H new ATOM 0 HA PHE A 71 3.045 9.637 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.826 11.193 2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.734 11.609 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.677 8.956 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.143 10.208 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.140 7.181 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.682 8.435 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.043 6.915 3.584 1.00 0.00 H new ATOM 1108 N ALA A 72 0.967 10.340 -0.994 1.00 0.00 N ATOM 1109 CA ALA A 72 0.263 9.760 -2.130 1.00 0.00 C ATOM 1110 C ALA A 72 1.226 9.026 -3.057 1.00 0.00 C ATOM 1111 O ALA A 72 0.992 7.874 -3.427 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.487 10.841 -2.895 1.00 0.00 C ATOM 0 H ALA A 72 0.875 11.353 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.456 9.035 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.008 10.393 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.211 11.319 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.220 11.587 -3.258 1.00 0.00 H new ATOM 1118 N LEU A 73 2.310 9.699 -3.429 1.00 0.00 N ATOM 1119 CA LEU A 73 3.309 9.110 -4.314 1.00 0.00 C ATOM 1120 C LEU A 73 3.593 7.662 -3.928 1.00 0.00 C ATOM 1121 O LEU A 73 3.653 6.781 -4.786 1.00 0.00 O ATOM 1122 CB LEU A 73 4.603 9.925 -4.267 1.00 0.00 C ATOM 1123 CG LEU A 73 4.567 11.283 -4.968 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.754 12.134 -4.544 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.550 11.103 -6.479 1.00 0.00 C ATOM 0 H LEU A 73 2.519 10.652 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 73 2.913 9.125 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.870 10.085 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.400 9.330 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 73 3.653 11.798 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.712 13.097 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.722 12.292 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.680 11.624 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.524 12.080 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.446 10.567 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.667 10.533 -6.768 1.00 0.00 H new ATOM 1137 N ASP A 74 3.763 7.422 -2.633 1.00 0.00 N ATOM 1138 CA ASP A 74 4.037 6.080 -2.133 1.00 0.00 C ATOM 1139 C ASP A 74 2.839 5.162 -2.357 1.00 0.00 C ATOM 1140 O ASP A 74 2.976 4.071 -2.911 1.00 0.00 O ATOM 1141 CB ASP A 74 4.386 6.128 -0.644 1.00 0.00 C ATOM 1142 CG ASP A 74 5.636 6.941 -0.369 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.803 8.004 -1.002 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.447 6.513 0.480 1.00 0.00 O ATOM 0 H ASP A 74 3.716 8.140 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 74 4.888 5.680 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.549 6.555 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.528 5.113 -0.274 1.00 0.00 H new ATOM 1149 N VAL A 75 1.666 5.611 -1.923 1.00 0.00 N ATOM 1150 CA VAL A 75 0.444 4.831 -2.077 1.00 0.00 C ATOM 1151 C VAL A 75 0.254 4.386 -3.523 1.00 0.00 C ATOM 1152 O VAL A 75 0.135 3.194 -3.806 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.793 5.632 -1.631 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.055 4.795 -1.782 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.630 6.109 -0.196 1.00 0.00 C ATOM 0 H VAL A 75 1.536 6.511 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 75 0.547 3.952 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.887 6.508 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.919 5.378 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.178 4.507 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.973 3.899 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.514 6.673 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.510 5.248 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.250 6.748 -0.123 1.00 0.00 H new ATOM 1165 N ARG A 76 0.228 5.352 -4.435 1.00 0.00 N ATOM 1166 CA ARG A 76 0.052 5.061 -5.852 1.00 0.00 C ATOM 1167 C ARG A 76 1.102 4.066 -6.337 1.00 0.00 C ATOM 1168 O ARG A 76 0.833 3.238 -7.208 1.00 0.00 O ATOM 1169 CB ARG A 76 0.136 6.348 -6.674 1.00 0.00 C ATOM 1170 CG ARG A 76 -0.811 7.438 -6.197 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.421 8.798 -6.755 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.515 9.761 -6.663 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.612 10.839 -7.433 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -0.684 11.091 -8.346 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.637 11.669 -7.290 1.00 0.00 N ATOM 0 H ARG A 76 0.327 6.344 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.934 4.617 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.158 6.725 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.084 6.118 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.829 7.196 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.806 7.475 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.444 9.179 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.120 8.690 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.245 9.597 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.107 10.456 -8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.761 11.919 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.352 11.480 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.710 12.496 -7.882 1.00 0.00 H new ATOM 1189 N LEU A 77 2.299 4.153 -5.768 1.00 0.00 N ATOM 1190 CA LEU A 77 3.391 3.261 -6.142 1.00 0.00 C ATOM 1191 C LEU A 77 3.122 1.839 -5.661 1.00 0.00 C ATOM 1192 O LEU A 77 3.489 0.868 -6.323 1.00 0.00 O ATOM 1193 CB LEU A 77 4.712 3.767 -5.560 1.00 0.00 C ATOM 1194 CG LEU A 77 5.912 2.831 -5.705 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.513 2.947 -7.097 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.959 3.137 -4.643 1.00 0.00 C ATOM 0 H LEU A 77 2.538 4.832 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 77 3.461 3.250 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.957 4.716 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.564 3.973 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 77 5.569 1.806 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.366 2.274 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.763 2.678 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.842 3.972 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.806 2.461 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.299 4.167 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.523 3.002 -3.653 1.00 0.00 H new ATOM 1208 N VAL A 78 2.477 1.723 -4.504 1.00 0.00 N ATOM 1209 CA VAL A 78 2.155 0.420 -3.935 1.00 0.00 C ATOM 1210 C VAL A 78 1.313 -0.408 -4.900 1.00 0.00 C ATOM 1211 O VAL A 78 1.693 -1.516 -5.278 1.00 0.00 O ATOM 1212 CB VAL A 78 1.397 0.561 -2.602 1.00 0.00 C ATOM 1213 CG1 VAL A 78 0.931 -0.799 -2.106 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.272 1.246 -1.563 1.00 0.00 C ATOM 0 H VAL A 78 2.167 2.516 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 78 3.102 -0.089 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 78 0.516 1.181 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.397 -0.679 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.266 -1.247 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.795 -1.446 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.721 1.338 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.172 0.654 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.551 2.238 -1.919 1.00 0.00 H new ATOM 1224 N PHE A 79 0.168 0.138 -5.296 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.729 -0.550 -6.217 1.00 0.00 C ATOM 1226 C PHE A 79 -0.040 -0.812 -7.554 1.00 0.00 C ATOM 1227 O PHE A 79 -0.328 -1.799 -8.230 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.998 0.274 -6.438 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.636 0.745 -5.162 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.717 -0.093 -4.062 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.155 2.026 -5.064 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.305 0.338 -2.888 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.743 2.463 -3.891 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.817 1.618 -2.802 1.00 0.00 C ATOM 0 H PHE A 79 -0.161 1.055 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.999 -1.508 -5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.757 1.139 -7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.718 -0.325 -6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.316 -1.094 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.100 2.691 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.364 -0.326 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.144 3.464 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.274 1.957 -1.884 1.00 0.00 H new ATOM 1244 N ASP A 80 0.871 0.081 -7.927 1.00 0.00 N ATOM 1245 CA ASP A 80 1.602 -0.053 -9.182 1.00 0.00 C ATOM 1246 C ASP A 80 2.540 -1.255 -9.140 1.00 0.00 C ATOM 1247 O ASP A 80 2.400 -2.191 -9.925 1.00 0.00 O ATOM 1248 CB ASP A 80 2.398 1.221 -9.471 1.00 0.00 C ATOM 1249 CG ASP A 80 2.996 1.227 -10.864 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.067 0.613 -11.053 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.392 1.844 -11.766 1.00 0.00 O ATOM 0 H ASP A 80 1.120 0.904 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 80 0.877 -0.209 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.746 2.087 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.196 1.322 -8.736 1.00 0.00 H new ATOM 1256 N ASN A 81 3.496 -1.221 -8.217 1.00 0.00 N ATOM 1257 CA ASN A 81 4.458 -2.307 -8.073 1.00 0.00 C ATOM 1258 C ASN A 81 3.793 -3.659 -8.313 1.00 0.00 C ATOM 1259 O ASN A 81 4.337 -4.514 -9.012 1.00 0.00 O ATOM 1260 CB ASN A 81 5.088 -2.276 -6.679 1.00 0.00 C ATOM 1261 CG ASN A 81 5.781 -0.959 -6.386 1.00 0.00 C ATOM 1262 OD1 ASN A 81 5.763 -0.040 -7.205 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.396 -0.863 -5.214 1.00 0.00 N ATOM 0 H ASN A 81 3.625 -0.453 -7.558 1.00 0.00 H new ATOM 0 HA ASN A 81 5.239 -2.169 -8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.315 -2.451 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.808 -3.090 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.880 -0.001 -4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.385 -1.651 -4.566 1.00 0.00 H new ATOM 1270 N CYS A 82 2.614 -3.843 -7.731 1.00 0.00 N ATOM 1271 CA CYS A 82 1.873 -5.091 -7.881 1.00 0.00 C ATOM 1272 C CYS A 82 1.397 -5.270 -9.319 1.00 0.00 C ATOM 1273 O CYS A 82 1.508 -6.355 -9.888 1.00 0.00 O ATOM 1274 CB CYS A 82 0.678 -5.117 -6.928 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.661 -6.213 -7.452 1.00 0.00 S ATOM 0 H CYS A 82 2.150 -3.144 -7.151 1.00 0.00 H new ATOM 0 HA CYS A 82 2.543 -5.915 -7.634 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.021 -5.427 -5.941 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.286 -4.105 -6.826 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.625 -6.168 -6.581 1.00 0.00 H new ATOM 1281 N GLU A 83 0.864 -4.199 -9.899 1.00 0.00 N ATOM 1282 CA GLU A 83 0.368 -4.240 -11.269 1.00 0.00 C ATOM 1283 C GLU A 83 1.483 -4.617 -12.240 1.00 0.00 C ATOM 1284 O GLU A 83 1.236 -5.222 -13.284 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.228 -2.886 -11.660 1.00 0.00 C ATOM 1286 CG GLU A 83 -1.236 -2.970 -12.794 1.00 0.00 C ATOM 1287 CD GLU A 83 -2.430 -3.840 -12.450 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -3.136 -3.518 -11.471 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -2.657 -4.843 -13.158 1.00 0.00 O ATOM 0 H GLU A 83 0.765 -3.293 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.411 -5.001 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.711 -2.445 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.579 -2.214 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.582 -1.967 -13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.745 -3.368 -13.683 1.00 0.00 H new ATOM 1296 N THR A 84 2.713 -4.253 -11.890 1.00 0.00 N ATOM 1297 CA THR A 84 3.867 -4.551 -12.729 1.00 0.00 C ATOM 1298 C THR A 84 4.419 -5.940 -12.432 1.00 0.00 C ATOM 1299 O THR A 84 4.522 -6.782 -13.325 1.00 0.00 O ATOM 1300 CB THR A 84 4.987 -3.512 -12.533 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.567 -2.238 -13.032 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.259 -3.947 -13.246 1.00 0.00 C ATOM 0 H THR A 84 2.935 -3.751 -11.030 1.00 0.00 H new ATOM 0 HA THR A 84 3.524 -4.514 -13.763 1.00 0.00 H new ATOM 0 HB THR A 84 5.196 -3.433 -11.466 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.284 -1.583 -12.902 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.036 -3.198 -13.094 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.593 -4.903 -12.843 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.060 -4.052 -14.313 1.00 0.00 H new ATOM 1310 N PHE A 85 4.775 -6.174 -11.173 1.00 0.00 N ATOM 1311 CA PHE A 85 5.318 -7.462 -10.759 1.00 0.00 C ATOM 1312 C PHE A 85 4.226 -8.528 -10.727 1.00 0.00 C ATOM 1313 O PHE A 85 4.345 -9.572 -11.366 1.00 0.00 O ATOM 1314 CB PHE A 85 5.971 -7.344 -9.380 1.00 0.00 C ATOM 1315 CG PHE A 85 6.978 -8.423 -9.100 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.213 -8.418 -9.729 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.690 -9.443 -8.208 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.141 -9.409 -9.474 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.615 -10.436 -7.948 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.842 -10.420 -8.582 1.00 0.00 C ATOM 0 H PHE A 85 4.697 -5.488 -10.422 1.00 0.00 H new ATOM 0 HA PHE A 85 6.072 -7.761 -11.487 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.459 -6.373 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.195 -7.375 -8.615 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.453 -7.630 -10.427 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.732 -9.462 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.099 -9.393 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.379 -11.225 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.566 -11.196 -8.381 1.00 0.00 H new ATOM 1330 N ASN A 86 3.163 -8.255 -9.977 1.00 0.00 N ATOM 1331 CA ASN A 86 2.050 -9.190 -9.860 1.00 0.00 C ATOM 1332 C ASN A 86 1.161 -9.136 -11.099 1.00 0.00 C ATOM 1333 O ASN A 86 1.181 -8.158 -11.846 1.00 0.00 O ATOM 1334 CB ASN A 86 1.223 -8.877 -8.612 1.00 0.00 C ATOM 1335 CG ASN A 86 2.076 -8.372 -7.464 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.604 -7.627 -6.605 1.00 0.00 O ATOM 1337 ND2 ASN A 86 3.341 -8.777 -7.446 1.00 0.00 N ATOM 0 H ASN A 86 3.049 -7.394 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 86 2.461 -10.196 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.469 -8.129 -8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.691 -9.775 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.964 -8.470 -6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.689 -9.395 -8.179 1.00 0.00 H new ATOM 1383 N SER A 90 -3.450 -13.421 -11.033 1.00 0.00 N ATOM 1384 CA SER A 90 -3.093 -13.973 -9.731 1.00 0.00 C ATOM 1385 C SER A 90 -3.903 -13.312 -8.620 1.00 0.00 C ATOM 1386 O SER A 90 -4.490 -12.248 -8.814 1.00 0.00 O ATOM 1387 CB SER A 90 -1.597 -13.785 -9.468 1.00 0.00 C ATOM 1388 OG SER A 90 -1.324 -12.482 -8.985 1.00 0.00 O ATOM 0 HA SER A 90 -3.323 -15.038 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.256 -14.524 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.038 -13.960 -10.387 1.00 0.00 H new ATOM 0 HG SER A 90 -0.362 -12.388 -8.824 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.930 -13.952 -7.456 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.667 -13.428 -6.313 1.00 0.00 C ATOM 1396 C ASP A 91 -4.258 -11.989 -6.015 1.00 0.00 C ATOM 1397 O ASP A 91 -5.084 -11.077 -6.056 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.430 -14.304 -5.081 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.883 -15.735 -5.293 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.998 -15.933 -5.819 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -4.122 -16.658 -4.932 1.00 0.00 O ATOM 0 H ASP A 91 -3.450 -14.834 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.729 -13.441 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.369 -14.295 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.962 -13.880 -4.229 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.978 -11.793 -5.716 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.459 -10.466 -5.412 1.00 0.00 C ATOM 1408 C ILE A 92 -2.849 -9.463 -6.492 1.00 0.00 C ATOM 1409 O ILE A 92 -3.407 -8.405 -6.201 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.926 -10.479 -5.269 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.520 -11.147 -3.953 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.374 -9.063 -5.343 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.963 -11.070 -3.669 1.00 0.00 C ATOM 0 H ILE A 92 -2.281 -12.537 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.901 -10.165 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.504 -11.055 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.064 -10.677 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.823 -12.194 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.711 -9.090 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.637 -8.620 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.800 -8.464 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.178 -11.563 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.513 -11.566 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.269 -10.025 -3.612 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.553 -9.803 -7.743 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.881 -8.923 -8.849 1.00 0.00 C ATOM 1427 C GLY A 93 -4.267 -8.322 -8.721 1.00 0.00 C ATOM 1428 O GLY A 93 -4.427 -7.102 -8.749 1.00 0.00 O ATOM 0 H GLY A 93 -2.092 -10.673 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.144 -8.121 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.815 -9.479 -9.784 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.271 -9.181 -8.581 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.651 -8.729 -8.451 1.00 0.00 C ATOM 1434 C ARG A 94 -6.800 -7.769 -7.274 1.00 0.00 C ATOM 1435 O ARG A 94 -7.318 -6.663 -7.423 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.588 -9.925 -8.270 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.562 -10.900 -9.435 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.811 -11.766 -9.464 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.880 -11.159 -10.253 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.961 -11.252 -11.576 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -9.042 -11.925 -12.254 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -10.964 -10.672 -12.223 1.00 0.00 N ATOM 0 H ARG A 94 -5.155 -10.194 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.921 -8.201 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.315 -10.455 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.606 -9.561 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.479 -10.348 -10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.679 -11.535 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.565 -12.744 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.161 -11.931 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.604 -10.635 -9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.270 -12.373 -11.760 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.107 -11.995 -13.270 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.674 -10.154 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.025 -10.744 -13.239 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.343 -8.202 -6.103 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.424 -7.382 -4.901 1.00 0.00 C ATOM 1458 C ALA A 95 -6.090 -5.926 -5.206 1.00 0.00 C ATOM 1459 O ALA A 95 -6.871 -5.023 -4.908 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.493 -7.925 -3.828 1.00 0.00 C ATOM 0 H ALA A 95 -5.913 -9.116 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.449 -7.423 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.564 -7.303 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.779 -8.947 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.467 -7.915 -4.197 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.923 -5.704 -5.804 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.505 -4.355 -6.139 1.00 0.00 C ATOM 1468 C GLY A 96 -5.614 -3.549 -6.785 1.00 0.00 C ATOM 1469 O GLY A 96 -5.950 -2.458 -6.322 1.00 0.00 O ATOM 0 H GLY A 96 -4.260 -6.435 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.170 -3.847 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.651 -4.400 -6.815 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.185 -4.085 -7.859 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.262 -3.407 -8.572 1.00 0.00 C ATOM 1475 C HIS A 97 -8.365 -2.979 -7.608 1.00 0.00 C ATOM 1476 O HIS A 97 -8.924 -1.891 -7.734 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.840 -4.319 -9.654 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.968 -4.437 -10.866 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.504 -3.345 -11.568 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.474 -5.527 -11.499 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.764 -3.758 -12.582 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.729 -5.078 -12.562 1.00 0.00 N ATOM 0 H HIS A 97 -5.920 -4.987 -8.255 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.848 -2.515 -9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.000 -5.312 -9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.816 -3.939 -9.955 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.636 -6.558 -11.220 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.272 -3.124 -13.304 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.230 -5.668 -13.228 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.673 -3.844 -6.647 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.711 -3.556 -5.663 1.00 0.00 C ATOM 1492 C ASN A 98 -9.242 -2.494 -4.673 1.00 0.00 C ATOM 1493 O ASN A 98 -10.049 -1.754 -4.113 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.100 -4.832 -4.914 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.129 -5.653 -5.667 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.866 -5.130 -6.503 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.183 -6.947 -5.372 1.00 0.00 N ATOM 0 H ASN A 98 -8.219 -4.750 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.583 -3.173 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.209 -5.437 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.496 -4.568 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.855 -7.550 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.552 -7.337 -4.672 1.00 0.00 H new ATOM 1504 N MET A 99 -7.931 -2.426 -4.464 1.00 0.00 N ATOM 1505 CA MET A 99 -7.354 -1.453 -3.543 1.00 0.00 C ATOM 1506 C MET A 99 -7.282 -0.072 -4.186 1.00 0.00 C ATOM 1507 O MET A 99 -7.441 0.946 -3.512 1.00 0.00 O ATOM 1508 CB MET A 99 -5.957 -1.899 -3.107 1.00 0.00 C ATOM 1509 CG MET A 99 -5.958 -3.164 -2.263 1.00 0.00 C ATOM 1510 SD MET A 99 -7.130 -3.085 -0.895 1.00 0.00 S ATOM 1511 CE MET A 99 -6.669 -1.527 -0.143 1.00 0.00 C ATOM 0 H MET A 99 -7.249 -3.032 -4.919 1.00 0.00 H new ATOM 0 HA MET A 99 -7.999 -1.392 -2.666 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.344 -2.064 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.488 -1.094 -2.540 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.201 -4.018 -2.895 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.956 -3.334 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.970 -1.525 0.905 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.589 -1.396 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.167 -0.710 -0.665 1.00 0.00 H new ATOM 1521 N ARG A 100 -7.041 -0.044 -5.493 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.947 1.213 -6.225 1.00 0.00 C ATOM 1523 C ARG A 100 -8.297 1.923 -6.262 1.00 0.00 C ATOM 1524 O ARG A 100 -8.423 3.064 -5.817 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.452 0.961 -7.651 1.00 0.00 C ATOM 1526 CG ARG A 100 -4.959 0.691 -7.738 1.00 0.00 C ATOM 1527 CD ARG A 100 -4.624 -0.212 -8.915 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.324 0.551 -10.123 1.00 0.00 N ATOM 1529 CZ ARG A 100 -5.251 0.976 -10.974 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -6.531 0.714 -10.749 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -4.899 1.666 -12.051 1.00 0.00 N ATOM 0 H ARG A 100 -6.907 -0.877 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.233 1.854 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.991 0.111 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.693 1.826 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.423 1.635 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.618 0.227 -6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.769 -0.838 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.462 -0.882 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.348 0.770 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.805 0.185 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.241 1.041 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.915 1.871 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.612 1.992 -12.704 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.304 1.241 -6.797 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.645 1.805 -6.892 1.00 0.00 C ATOM 1547 C LYS A 101 -11.074 2.416 -5.562 1.00 0.00 C ATOM 1548 O LYS A 101 -11.841 3.379 -5.528 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.645 0.727 -7.316 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.939 -0.291 -6.228 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.673 -1.502 -6.781 1.00 0.00 C ATOM 1552 CE LYS A 101 -14.181 -1.317 -6.718 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.736 -1.724 -5.398 1.00 0.00 N ATOM 0 H LYS A 101 -9.217 0.296 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.628 2.593 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.577 1.206 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.257 0.208 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.005 -0.610 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.540 0.174 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.369 -1.672 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.390 -2.390 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.427 -0.272 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.652 -1.904 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.766 -1.583 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.524 -2.728 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.306 -1.146 -4.648 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.574 1.852 -4.468 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.906 2.341 -3.135 1.00 0.00 C ATOM 1569 C TYR A 102 -10.068 3.565 -2.780 1.00 0.00 C ATOM 1570 O TYR A 102 -10.592 4.576 -2.309 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.688 1.241 -2.096 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.898 1.702 -0.672 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.846 2.672 -0.368 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.148 1.170 0.370 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.041 3.098 0.932 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.338 1.589 1.673 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.285 2.553 1.949 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.475 2.973 3.245 1.00 0.00 O ATOM 0 H TYR A 102 -9.937 1.055 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.957 2.629 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.368 0.415 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.674 0.853 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.440 3.100 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.404 0.416 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.781 3.853 1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.748 1.164 2.471 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.407 3.249 3.366 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.763 3.467 -3.008 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.850 4.565 -2.712 1.00 0.00 C ATOM 1590 C PHE A 103 -8.215 5.808 -3.519 1.00 0.00 C ATOM 1591 O PHE A 103 -8.372 6.896 -2.964 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.408 4.153 -3.014 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.418 5.271 -2.851 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.207 5.851 -1.610 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.699 5.742 -3.938 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.297 6.880 -1.456 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.788 6.770 -3.790 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.587 7.341 -2.548 1.00 0.00 C ATOM 0 H PHE A 103 -8.313 2.638 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.938 4.802 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.128 3.331 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.353 3.776 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.760 5.495 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.853 5.301 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.141 7.323 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.233 7.127 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.876 8.146 -2.431 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.347 5.638 -4.830 1.00 0.00 N ATOM 1609 CA GLU A 104 -8.692 6.746 -5.713 1.00 0.00 C ATOM 1610 C GLU A 104 -9.987 7.418 -5.263 1.00 0.00 C ATOM 1611 O GLU A 104 -9.993 8.588 -4.881 1.00 0.00 O ATOM 1612 CB GLU A 104 -8.835 6.254 -7.155 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.594 5.554 -7.684 1.00 0.00 C ATOM 1614 CD GLU A 104 -6.627 6.510 -8.356 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -5.981 7.301 -7.637 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.518 6.468 -9.599 1.00 0.00 O ATOM 0 H GLU A 104 -8.220 4.744 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.886 7.479 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.681 5.570 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.066 7.103 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.087 5.049 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.891 4.784 -8.396 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.083 6.668 -5.312 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.384 7.188 -4.909 1.00 0.00 C ATOM 1625 C LYS A 105 -12.336 7.733 -3.485 1.00 0.00 C ATOM 1626 O LYS A 105 -12.813 8.835 -3.215 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.448 6.092 -5.011 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.865 6.598 -4.803 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.325 7.459 -5.968 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.629 8.175 -5.650 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.371 8.550 -6.885 1.00 0.00 N ATOM 0 H LYS A 105 -11.096 5.698 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.645 8.004 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.380 5.621 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.235 5.320 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.541 5.751 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.914 7.176 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.555 8.192 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.457 6.836 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.255 7.532 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.418 9.071 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.253 9.036 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.784 9.184 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.595 7.693 -7.429 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.755 6.955 -2.578 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.641 7.361 -1.182 1.00 0.00 C ATOM 1647 C LYS A 106 -10.853 8.661 -1.056 1.00 0.00 C ATOM 1648 O LYS A 106 -11.165 9.507 -0.218 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.963 6.259 -0.364 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.768 6.621 1.099 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.098 6.767 1.819 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.932 7.468 3.159 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.412 6.546 4.207 1.00 0.00 N ATOM 0 H LYS A 106 -11.356 6.039 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.646 7.528 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.561 5.350 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.993 6.034 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.171 5.852 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.209 7.554 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.791 7.332 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.539 5.782 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.250 8.311 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.892 7.875 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.313 7.062 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.075 5.755 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.484 6.177 3.916 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.834 8.813 -1.893 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.003 10.011 -1.875 1.00 0.00 C ATOM 1669 C TRP A 107 -9.750 11.200 -2.469 1.00 0.00 C ATOM 1670 O TRP A 107 -10.061 12.164 -1.768 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.706 9.769 -2.650 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.781 10.948 -2.642 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.779 11.994 -3.520 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.722 11.200 -1.713 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.782 12.881 -3.193 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.120 12.418 -2.087 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.224 10.518 -0.599 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.046 12.963 -1.388 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.159 11.060 0.093 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.580 12.273 -0.302 1.00 0.00 C ATOM 0 H TRP A 107 -9.563 8.122 -2.593 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.761 10.239 -0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.191 8.909 -2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.950 9.514 -3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.461 12.107 -4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.569 13.744 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.665 9.583 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.597 13.897 -1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.766 10.540 0.954 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.749 12.671 0.262 1.00 0.00 H new ATOM 1691 N THR A 108 -10.035 11.127 -3.765 1.00 0.00 N ATOM 1692 CA THR A 108 -10.745 12.199 -4.453 1.00 0.00 C ATOM 1693 C THR A 108 -11.901 12.723 -3.608 1.00 0.00 C ATOM 1694 O THR A 108 -12.157 13.926 -3.568 1.00 0.00 O ATOM 1695 CB THR A 108 -11.291 11.727 -5.814 1.00 0.00 C ATOM 1696 OG1 THR A 108 -11.658 12.858 -6.612 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.497 10.818 -5.628 1.00 0.00 C ATOM 0 H THR A 108 -9.785 10.337 -4.360 1.00 0.00 H new ATOM 0 HA THR A 108 -10.026 13.001 -4.617 1.00 0.00 H new ATOM 0 HB THR A 108 -10.507 11.164 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.003 12.551 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.865 10.498 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.207 9.944 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.284 11.360 -5.104 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.596 11.813 -2.935 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.725 12.184 -2.090 1.00 0.00 C ATOM 1707 C ASP A 109 -13.251 12.939 -0.852 1.00 0.00 C ATOM 1708 O ASP A 109 -13.876 13.911 -0.426 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.509 10.938 -1.673 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.966 11.241 -1.385 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.236 12.201 -0.633 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.837 10.518 -1.913 1.00 0.00 O ATOM 0 H ASP A 109 -12.397 10.813 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.379 12.839 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.446 10.191 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.049 10.503 -0.786 1.00 0.00 H new ATOM 1717 N THR A 110 -12.142 12.486 -0.276 1.00 0.00 N ATOM 1718 CA THR A 110 -11.585 13.116 0.914 1.00 0.00 C ATOM 1719 C THR A 110 -11.282 14.590 0.665 1.00 0.00 C ATOM 1720 O THR A 110 -11.804 15.466 1.354 1.00 0.00 O ATOM 1721 CB THR A 110 -10.296 12.410 1.374 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.583 11.054 1.736 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.673 13.135 2.557 1.00 0.00 C ATOM 0 H THR A 110 -11.611 11.684 -0.615 1.00 0.00 H new ATOM 0 HA THR A 110 -12.337 13.029 1.698 1.00 0.00 H new ATOM 0 HB THR A 110 -9.586 12.423 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 110 -11.078 10.620 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.764 12.617 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.429 14.158 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.379 13.150 3.387 1.00 0.00 H new