USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 830 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 2 THR OG1 : rot -28:sc= 0.778 USER MOD Single : A 12 GLN : amide:sc= -1.9! K(o=-1.9!,f=0.007) USER MOD Single : A 13 THR OG1 : rot -142:sc= -2.43! USER MOD Single : A 16 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.19) USER MOD Single : A 18 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.54) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.00197) USER MOD Single : A 26 GLN : amide:sc= -2.13! C(o=-2.1!,f=0.18!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -91:sc= 0.966 USER MOD Single : A 40 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.75! C(o=-4.7!,f=-4!) USER MOD Single : A 51 SER OG : rot 70:sc= 1.12 USER MOD Single : A 52 ASN : amide:sc= -0.841 K(o=-0.84,f=-0.33) USER MOD Single : A 53 TYR OH : rot 120:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -69:sc= -1.85! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.436! C(o=0.44!,f=-7.9!) USER MOD Single : A 65 ASN : amide:sc= -0.659 K(o=-0.66,f=-8.2!) USER MOD Single : A 66 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-1.9!) USER MOD Single : B 1 ARG N :NH3+ -151:sc= -0.226 (180deg=-0.962) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= -2.08! C(o=-2.1!,f=0.15!) USER MOD Single : B 13 THR OG1 : rot -143:sc= -2.32! USER MOD Single : B 16 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.39) USER MOD Single : B 18 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.63) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -2.11! C(o=-2.1!,f=0.042!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -80:sc= 0.896 USER MOD Single : B 40 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.4!) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -4.7! C(o=-4.7!,f=-4!) USER MOD Single : B 51 SER OG : rot 70:sc= 1.1 USER MOD Single : B 52 ASN : amide:sc= -0.917 K(o=-0.92,f=-0.36) USER MOD Single : B 53 TYR OH : rot 120:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot -47:sc= -2.41! USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= 0.12! C(o=0.12!,f=-7.6!) USER MOD Single : B 65 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 2 -16.403 -7.027 -2.218 1.00 0.68 N ATOM 28 CA THR A 2 -15.142 -6.873 -2.997 1.00 0.66 C ATOM 29 C THR A 2 -14.649 -5.430 -2.942 1.00 0.63 C ATOM 30 O THR A 2 -15.264 -4.587 -2.326 1.00 0.65 O ATOM 31 CB THR A 2 -15.490 -7.325 -4.406 1.00 0.64 C ATOM 32 OG1 THR A 2 -16.799 -6.886 -4.747 1.00 0.68 O ATOM 33 CG2 THR A 2 -15.407 -8.852 -4.417 1.00 0.68 C ATOM 0 HA THR A 2 -14.321 -7.468 -2.595 1.00 0.66 H new ATOM 0 HB THR A 2 -14.803 -6.902 -5.139 1.00 0.64 H new ATOM 0 HG1 THR A 2 -17.341 -6.810 -3.934 1.00 0.68 H new ATOM 0 HG21 THR A 2 -15.650 -9.222 -5.413 1.00 0.68 H new ATOM 0 HG22 THR A 2 -14.397 -9.163 -4.151 1.00 0.68 H new ATOM 0 HG23 THR A 2 -16.115 -9.260 -3.695 1.00 0.68 H new ATOM 41 N CYS A 3 -13.534 -5.149 -3.560 1.00 0.60 N ATOM 42 CA CYS A 3 -12.972 -3.760 -3.516 1.00 0.57 C ATOM 43 C CYS A 3 -12.920 -3.156 -4.912 1.00 0.62 C ATOM 44 O CYS A 3 -13.000 -3.854 -5.898 1.00 0.75 O ATOM 45 CB CYS A 3 -11.547 -3.921 -2.979 1.00 0.59 C ATOM 46 SG CYS A 3 -11.586 -4.311 -1.212 1.00 0.66 S ATOM 0 H CYS A 3 -12.984 -5.820 -4.096 1.00 0.60 H new ATOM 0 HA CYS A 3 -13.583 -3.102 -2.898 1.00 0.57 H new ATOM 0 HB2 CYS A 3 -11.033 -4.714 -3.523 1.00 0.59 H new ATOM 0 HB3 CYS A 3 -10.982 -3.003 -3.144 1.00 0.59 H new ATOM 150 N PRO A 11 -11.858 -4.725 -8.774 1.00 0.68 N ATOM 151 CA PRO A 11 -11.269 -6.072 -8.596 1.00 0.75 C ATOM 152 C PRO A 11 -12.321 -6.985 -7.969 1.00 0.73 C ATOM 153 O PRO A 11 -13.474 -6.951 -8.354 1.00 0.77 O ATOM 154 CB PRO A 11 -10.082 -5.821 -7.661 1.00 0.81 C ATOM 155 CG PRO A 11 -10.452 -4.581 -6.932 1.00 0.78 C ATOM 156 CD PRO A 11 -11.204 -3.739 -7.921 1.00 0.71 C ATOM 0 HA PRO A 11 -10.950 -6.559 -9.518 1.00 0.75 H new ATOM 0 HB2 PRO A 11 -9.930 -6.656 -6.977 1.00 0.81 H new ATOM 0 HB3 PRO A 11 -9.155 -5.694 -8.219 1.00 0.81 H new ATOM 0 HG2 PRO A 11 -11.068 -4.807 -6.062 1.00 0.78 H new ATOM 0 HG3 PRO A 11 -9.566 -4.061 -6.569 1.00 0.78 H new ATOM 0 HD2 PRO A 11 -11.928 -3.090 -7.428 1.00 0.71 H new ATOM 0 HD3 PRO A 11 -10.535 -3.095 -8.491 1.00 0.71 H new ATOM 164 N GLN A 12 -11.971 -7.803 -7.017 1.00 0.72 N ATOM 165 CA GLN A 12 -13.005 -8.676 -6.430 1.00 0.71 C ATOM 166 C GLN A 12 -12.528 -9.316 -5.123 1.00 0.68 C ATOM 167 O GLN A 12 -11.940 -10.378 -5.135 1.00 0.69 O ATOM 168 CB GLN A 12 -13.258 -9.741 -7.494 1.00 0.80 C ATOM 169 CG GLN A 12 -11.966 -10.516 -7.750 1.00 0.91 C ATOM 170 CD GLN A 12 -12.190 -11.995 -7.436 1.00 1.02 C ATOM 171 OE1 GLN A 12 -12.097 -12.409 -6.297 1.00 1.07 O ATOM 172 NE2 GLN A 12 -12.484 -12.815 -8.407 1.00 1.13 N ATOM 0 H GLN A 12 -11.032 -7.900 -6.631 1.00 0.72 H new ATOM 0 HA GLN A 12 -13.906 -8.119 -6.173 1.00 0.71 H new ATOM 0 HB2 GLN A 12 -14.044 -10.421 -7.165 1.00 0.80 H new ATOM 0 HB3 GLN A 12 -13.605 -9.275 -8.416 1.00 0.80 H new ATOM 0 HG2 GLN A 12 -11.657 -10.396 -8.788 1.00 0.91 H new ATOM 0 HG3 GLN A 12 -11.162 -10.119 -7.130 1.00 0.91 H new ATOM 0 HE21 GLN A 12 -12.562 -12.467 -9.363 1.00 1.13 H new ATOM 0 HE22 GLN A 12 -12.636 -13.804 -8.211 1.00 1.13 H new ATOM 181 N THR A 13 -12.795 -8.718 -3.999 1.00 0.65 N ATOM 182 CA THR A 13 -12.374 -9.350 -2.727 1.00 0.62 C ATOM 183 C THR A 13 -13.255 -10.556 -2.448 1.00 0.62 C ATOM 184 O THR A 13 -13.537 -11.342 -3.330 1.00 0.63 O ATOM 185 CB THR A 13 -12.604 -8.302 -1.662 1.00 0.63 C ATOM 186 OG1 THR A 13 -12.418 -7.013 -2.228 1.00 0.65 O ATOM 187 CG2 THR A 13 -11.639 -8.500 -0.490 1.00 0.64 C ATOM 0 H THR A 13 -13.282 -7.827 -3.908 1.00 0.65 H new ATOM 0 HA THR A 13 -11.337 -9.683 -2.757 1.00 0.62 H new ATOM 0 HB THR A 13 -13.623 -8.397 -1.286 1.00 0.63 H new ATOM 0 HG1 THR A 13 -11.981 -6.429 -1.574 1.00 0.65 H new ATOM 0 HG21 THR A 13 -11.822 -7.735 0.265 1.00 0.64 H new ATOM 0 HG22 THR A 13 -11.795 -9.486 -0.053 1.00 0.64 H new ATOM 0 HG23 THR A 13 -10.612 -8.420 -0.847 1.00 0.64 H new ATOM 195 N CYS A 14 -13.721 -10.705 -1.238 1.00 0.65 N ATOM 196 CA CYS A 14 -14.601 -11.851 -0.957 1.00 0.70 C ATOM 197 C CYS A 14 -15.237 -11.725 0.431 1.00 0.73 C ATOM 198 O CYS A 14 -14.619 -11.233 1.356 1.00 0.74 O ATOM 199 CB CYS A 14 -13.688 -13.083 -1.062 1.00 0.67 C ATOM 200 SG CYS A 14 -12.868 -13.413 0.529 1.00 0.53 S ATOM 0 H CYS A 14 -13.529 -10.088 -0.449 1.00 0.65 H new ATOM 0 HA CYS A 14 -15.437 -11.915 -1.653 1.00 0.70 H new ATOM 0 HB2 CYS A 14 -14.274 -13.952 -1.362 1.00 0.67 H new ATOM 0 HB3 CYS A 14 -12.938 -12.921 -1.837 1.00 0.67 H new ATOM 205 N PRO A 15 -16.455 -12.184 0.533 1.00 0.83 N ATOM 206 CA PRO A 15 -17.171 -12.130 1.822 1.00 0.90 C ATOM 207 C PRO A 15 -16.593 -13.165 2.787 1.00 0.87 C ATOM 208 O PRO A 15 -16.313 -14.291 2.425 1.00 0.96 O ATOM 209 CB PRO A 15 -18.617 -12.440 1.450 1.00 1.02 C ATOM 210 CG PRO A 15 -18.539 -13.209 0.170 1.00 1.06 C ATOM 211 CD PRO A 15 -17.265 -12.793 -0.527 1.00 0.93 C ATOM 0 HA PRO A 15 -17.082 -11.170 2.331 1.00 0.90 H new ATOM 0 HB2 PRO A 15 -19.107 -13.023 2.230 1.00 1.02 H new ATOM 0 HB3 PRO A 15 -19.196 -11.525 1.324 1.00 1.02 H new ATOM 0 HG2 PRO A 15 -18.538 -14.281 0.365 1.00 1.06 H new ATOM 0 HG3 PRO A 15 -19.406 -13.000 -0.457 1.00 1.06 H new ATOM 0 HD2 PRO A 15 -16.758 -13.649 -0.973 1.00 0.93 H new ATOM 0 HD3 PRO A 15 -17.464 -12.085 -1.332 1.00 0.93 H new ATOM 219 N ASN A 16 -16.408 -12.777 4.013 1.00 0.78 N ATOM 220 CA ASN A 16 -15.839 -13.702 5.032 1.00 0.75 C ATOM 221 C ASN A 16 -16.005 -13.073 6.416 1.00 0.65 C ATOM 222 O ASN A 16 -16.266 -13.747 7.393 1.00 0.71 O ATOM 223 CB ASN A 16 -14.357 -13.829 4.669 1.00 0.87 C ATOM 224 CG ASN A 16 -14.046 -15.257 4.213 1.00 1.00 C ATOM 225 OD1 ASN A 16 -14.858 -15.898 3.575 1.00 1.11 O ATOM 226 ND2 ASN A 16 -12.890 -15.786 4.519 1.00 1.06 N ATOM 0 H ASN A 16 -16.630 -11.844 4.360 1.00 0.78 H new ATOM 0 HA ASN A 16 -16.329 -14.676 5.049 1.00 0.75 H new ATOM 0 HB2 ASN A 16 -14.107 -13.124 3.876 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -13.741 -13.572 5.530 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -12.670 -16.737 4.222 1.00 1.06 H new ATOM 0 HD22 ASN A 16 -12.209 -15.248 5.054 1.00 1.06 H new ATOM 233 N GLY A 17 -15.857 -11.776 6.496 1.00 0.58 N ATOM 234 CA GLY A 17 -16.007 -11.078 7.802 1.00 0.55 C ATOM 235 C GLY A 17 -16.063 -9.563 7.565 1.00 0.46 C ATOM 236 O GLY A 17 -16.956 -9.061 6.912 1.00 0.52 O ATOM 0 H GLY A 17 -15.637 -11.169 5.706 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -16.915 -11.413 8.304 1.00 0.55 H new ATOM 0 HA3 GLY A 17 -15.171 -11.324 8.457 1.00 0.55 H new ATOM 240 N GLN A 18 -15.117 -8.833 8.092 1.00 0.42 N ATOM 241 CA GLN A 18 -15.112 -7.350 7.903 1.00 0.39 C ATOM 242 C GLN A 18 -14.985 -6.998 6.416 1.00 0.32 C ATOM 243 O GLN A 18 -15.221 -5.877 6.014 1.00 0.40 O ATOM 244 CB GLN A 18 -13.890 -6.855 8.684 1.00 0.44 C ATOM 245 CG GLN A 18 -13.932 -5.328 8.801 1.00 0.52 C ATOM 246 CD GLN A 18 -13.390 -4.900 10.169 1.00 0.78 C ATOM 247 OE1 GLN A 18 -14.105 -4.323 10.964 1.00 0.91 O ATOM 248 NE2 GLN A 18 -12.150 -5.166 10.481 1.00 1.07 N ATOM 0 H GLN A 18 -14.344 -9.200 8.647 1.00 0.42 H new ATOM 0 HA GLN A 18 -16.035 -6.888 8.254 1.00 0.39 H new ATOM 0 HB2 GLN A 18 -13.875 -7.305 9.677 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -12.975 -7.165 8.180 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -13.338 -4.876 8.006 1.00 0.52 H new ATOM 0 HG3 GLN A 18 -14.955 -4.972 8.677 1.00 0.52 H new ATOM 0 HE21 GLN A 18 -11.549 -5.650 9.814 1.00 1.07 H new ATOM 0 HE22 GLN A 18 -11.783 -4.889 11.391 1.00 1.07 H new ATOM 257 N ASP A 19 -14.616 -7.950 5.597 1.00 0.29 N ATOM 258 CA ASP A 19 -14.475 -7.676 4.134 1.00 0.34 C ATOM 259 C ASP A 19 -13.430 -6.582 3.888 1.00 0.31 C ATOM 260 O ASP A 19 -13.743 -5.491 3.451 1.00 0.36 O ATOM 261 CB ASP A 19 -15.866 -7.229 3.671 1.00 0.46 C ATOM 262 CG ASP A 19 -16.865 -8.365 3.901 1.00 0.52 C ATOM 263 OD1 ASP A 19 -16.430 -9.500 4.001 1.00 0.49 O ATOM 264 OD2 ASP A 19 -18.049 -8.082 3.974 1.00 0.74 O ATOM 0 H ASP A 19 -14.406 -8.907 5.879 1.00 0.29 H new ATOM 0 HA ASP A 19 -14.134 -8.553 3.584 1.00 0.34 H new ATOM 0 HB2 ASP A 19 -16.176 -6.340 4.220 1.00 0.46 H new ATOM 0 HB3 ASP A 19 -15.841 -6.959 2.615 1.00 0.46 H new ATOM 269 N ILE A 20 -12.188 -6.875 4.165 1.00 0.31 N ATOM 270 CA ILE A 20 -11.110 -5.866 3.949 1.00 0.29 C ATOM 271 C ILE A 20 -10.088 -6.391 2.938 1.00 0.34 C ATOM 272 O ILE A 20 -9.759 -7.562 2.919 1.00 0.42 O ATOM 273 CB ILE A 20 -10.462 -5.674 5.319 1.00 0.35 C ATOM 274 CG1 ILE A 20 -11.488 -5.093 6.294 1.00 0.48 C ATOM 275 CG2 ILE A 20 -9.277 -4.714 5.195 1.00 0.51 C ATOM 276 CD1 ILE A 20 -10.799 -4.780 7.621 1.00 0.56 C ATOM 0 H ILE A 20 -11.872 -7.772 4.533 1.00 0.31 H new ATOM 0 HA ILE A 20 -11.498 -4.929 3.549 1.00 0.29 H new ATOM 0 HB ILE A 20 -10.112 -6.637 5.691 1.00 0.35 H new ATOM 0 HG12 ILE A 20 -11.931 -4.188 5.878 1.00 0.48 H new ATOM 0 HG13 ILE A 20 -12.301 -5.802 6.451 1.00 0.48 H new ATOM 0 HG21 ILE A 20 -8.815 -4.578 6.173 1.00 0.51 H new ATOM 0 HG22 ILE A 20 -8.544 -5.128 4.502 1.00 0.51 H new ATOM 0 HG23 ILE A 20 -9.626 -3.751 4.821 1.00 0.51 H new ATOM 0 HD11 ILE A 20 -11.526 -4.366 8.320 1.00 0.56 H new ATOM 0 HD12 ILE A 20 -10.377 -5.695 8.037 1.00 0.56 H new ATOM 0 HD13 ILE A 20 -10.002 -4.056 7.455 1.00 0.56 H new ATOM 288 N CYS A 21 -9.579 -5.531 2.098 1.00 0.33 N ATOM 289 CA CYS A 21 -8.573 -5.974 1.089 1.00 0.40 C ATOM 290 C CYS A 21 -7.161 -5.690 1.598 1.00 0.40 C ATOM 291 O CYS A 21 -6.915 -4.674 2.218 1.00 0.48 O ATOM 292 CB CYS A 21 -8.863 -5.133 -0.155 1.00 0.45 C ATOM 293 SG CYS A 21 -10.276 -5.839 -1.033 1.00 0.56 S ATOM 0 H CYS A 21 -9.816 -4.539 2.066 1.00 0.33 H new ATOM 0 HA CYS A 21 -8.636 -7.043 0.886 1.00 0.40 H new ATOM 0 HB2 CYS A 21 -9.074 -4.102 0.129 1.00 0.45 H new ATOM 0 HB3 CYS A 21 -7.989 -5.111 -0.806 1.00 0.45 H new ATOM 298 N PHE A 22 -6.225 -6.559 1.334 1.00 0.36 N ATOM 299 CA PHE A 22 -4.851 -6.294 1.801 1.00 0.37 C ATOM 300 C PHE A 22 -3.826 -7.050 0.948 1.00 0.35 C ATOM 301 O PHE A 22 -4.152 -7.973 0.230 1.00 0.39 O ATOM 302 CB PHE A 22 -4.815 -6.747 3.270 1.00 0.37 C ATOM 303 CG PHE A 22 -4.355 -8.185 3.377 1.00 0.36 C ATOM 304 CD1 PHE A 22 -4.985 -9.186 2.630 1.00 0.43 C ATOM 305 CD2 PHE A 22 -3.288 -8.509 4.222 1.00 0.44 C ATOM 306 CE1 PHE A 22 -4.549 -10.512 2.731 1.00 0.46 C ATOM 307 CE2 PHE A 22 -2.851 -9.833 4.324 1.00 0.52 C ATOM 308 CZ PHE A 22 -3.482 -10.836 3.578 1.00 0.49 C ATOM 0 H PHE A 22 -6.357 -7.430 0.820 1.00 0.36 H new ATOM 0 HA PHE A 22 -4.590 -5.239 1.711 1.00 0.37 H new ATOM 0 HB2 PHE A 22 -4.144 -6.102 3.838 1.00 0.37 H new ATOM 0 HB3 PHE A 22 -5.806 -6.643 3.712 1.00 0.37 H new ATOM 0 HD1 PHE A 22 -5.807 -8.936 1.976 1.00 0.43 H new ATOM 0 HD2 PHE A 22 -2.801 -7.735 4.797 1.00 0.44 H new ATOM 0 HE1 PHE A 22 -5.036 -11.286 2.156 1.00 0.46 H new ATOM 0 HE2 PHE A 22 -2.028 -10.082 4.977 1.00 0.52 H new ATOM 0 HZ PHE A 22 -3.146 -11.859 3.656 1.00 0.49 H new ATOM 318 N LEU A 23 -2.585 -6.665 1.041 1.00 0.35 N ATOM 319 CA LEU A 23 -1.523 -7.354 0.259 1.00 0.37 C ATOM 320 C LEU A 23 -0.372 -7.716 1.180 1.00 0.34 C ATOM 321 O LEU A 23 0.129 -6.890 1.918 1.00 0.40 O ATOM 322 CB LEU A 23 -1.053 -6.335 -0.768 1.00 0.45 C ATOM 323 CG LEU A 23 -0.343 -7.046 -1.919 1.00 0.48 C ATOM 324 CD1 LEU A 23 -0.901 -6.537 -3.250 1.00 0.80 C ATOM 325 CD2 LEU A 23 1.158 -6.750 -1.846 1.00 0.56 C ATOM 0 H LEU A 23 -2.259 -5.898 1.629 1.00 0.35 H new ATOM 0 HA LEU A 23 -1.885 -8.270 -0.209 1.00 0.37 H new ATOM 0 HB2 LEU A 23 -1.904 -5.770 -1.148 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -0.378 -5.619 -0.300 1.00 0.45 H new ATOM 0 HG LEU A 23 -0.506 -8.121 -1.844 1.00 0.48 H new ATOM 0 HD11 LEU A 23 -0.396 -7.043 -4.073 1.00 0.80 H new ATOM 0 HD12 LEU A 23 -1.970 -6.743 -3.299 1.00 0.80 H new ATOM 0 HD13 LEU A 23 -0.734 -5.463 -3.327 1.00 0.80 H new ATOM 0 HD21 LEU A 23 1.669 -7.255 -2.666 1.00 0.56 H new ATOM 0 HD22 LEU A 23 1.321 -5.675 -1.925 1.00 0.56 H new ATOM 0 HD23 LEU A 23 1.554 -7.108 -0.896 1.00 0.56 H new ATOM 337 N LYS A 24 0.059 -8.932 1.151 1.00 0.31 N ATOM 338 CA LYS A 24 1.179 -9.311 2.033 1.00 0.29 C ATOM 339 C LYS A 24 2.338 -9.847 1.197 1.00 0.30 C ATOM 340 O LYS A 24 2.181 -10.751 0.401 1.00 0.38 O ATOM 341 CB LYS A 24 0.607 -10.387 2.951 1.00 0.29 C ATOM 342 CG LYS A 24 1.600 -10.674 4.076 1.00 0.32 C ATOM 343 CD LYS A 24 0.833 -10.926 5.375 1.00 0.35 C ATOM 344 CE LYS A 24 1.667 -11.815 6.298 1.00 0.34 C ATOM 345 NZ LYS A 24 1.347 -13.206 5.875 1.00 0.39 N ATOM 0 H LYS A 24 -0.311 -9.676 0.560 1.00 0.31 H new ATOM 0 HA LYS A 24 1.573 -8.471 2.605 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -0.345 -10.057 3.367 1.00 0.29 H new ATOM 0 HB3 LYS A 24 0.410 -11.297 2.384 1.00 0.29 H new ATOM 0 HG2 LYS A 24 2.210 -11.542 3.826 1.00 0.32 H new ATOM 0 HG3 LYS A 24 2.281 -9.832 4.200 1.00 0.32 H new ATOM 0 HD2 LYS A 24 0.611 -9.979 5.868 1.00 0.35 H new ATOM 0 HD3 LYS A 24 -0.122 -11.404 5.158 1.00 0.35 H new ATOM 0 HE2 LYS A 24 2.731 -11.605 6.194 1.00 0.34 H new ATOM 0 HE3 LYS A 24 1.410 -11.650 7.344 1.00 0.34 H new ATOM 0 HZ1 LYS A 24 2.042 -13.862 6.286 1.00 0.39 H new ATOM 0 HZ2 LYS A 24 0.394 -13.459 6.206 1.00 0.39 H new ATOM 0 HZ3 LYS A 24 1.382 -13.270 4.838 1.00 0.39 H new ATOM 359 N ALA A 25 3.497 -9.275 1.371 1.00 0.26 N ATOM 360 CA ALA A 25 4.691 -9.723 0.594 1.00 0.27 C ATOM 361 C ALA A 25 5.847 -10.034 1.548 1.00 0.25 C ATOM 362 O ALA A 25 6.046 -9.362 2.541 1.00 0.25 O ATOM 363 CB ALA A 25 5.036 -8.532 -0.306 1.00 0.30 C ATOM 0 H ALA A 25 3.671 -8.510 2.023 1.00 0.26 H new ATOM 0 HA ALA A 25 4.504 -10.629 0.018 1.00 0.27 H new ATOM 0 HB1 ALA A 25 5.907 -8.776 -0.915 1.00 0.30 H new ATOM 0 HB2 ALA A 25 4.190 -8.310 -0.956 1.00 0.30 H new ATOM 0 HB3 ALA A 25 5.258 -7.662 0.311 1.00 0.30 H new ATOM 369 N GLN A 26 6.609 -11.051 1.254 1.00 0.27 N ATOM 370 CA GLN A 26 7.750 -11.406 2.143 1.00 0.28 C ATOM 371 C GLN A 26 8.755 -12.264 1.378 1.00 0.31 C ATOM 372 O GLN A 26 8.419 -12.912 0.407 1.00 0.38 O ATOM 373 CB GLN A 26 7.128 -12.194 3.297 1.00 0.28 C ATOM 374 CG GLN A 26 8.174 -12.410 4.393 1.00 0.32 C ATOM 375 CD GLN A 26 8.201 -11.200 5.325 1.00 0.39 C ATOM 376 OE1 GLN A 26 9.079 -10.365 5.230 1.00 0.44 O ATOM 377 NE2 GLN A 26 7.274 -11.072 6.234 1.00 0.55 N ATOM 0 H GLN A 26 6.491 -11.651 0.437 1.00 0.27 H new ATOM 0 HA GLN A 26 8.288 -10.529 2.502 1.00 0.28 H new ATOM 0 HB2 GLN A 26 6.271 -11.654 3.699 1.00 0.28 H new ATOM 0 HB3 GLN A 26 6.759 -13.155 2.938 1.00 0.28 H new ATOM 0 HG2 GLN A 26 7.941 -13.312 4.959 1.00 0.32 H new ATOM 0 HG3 GLN A 26 9.157 -12.559 3.946 1.00 0.32 H new ATOM 0 HE21 GLN A 26 6.537 -11.773 6.313 1.00 0.55 H new ATOM 0 HE22 GLN A 26 7.286 -10.271 6.865 1.00 0.55 H new ATOM 386 N CYS A 27 9.984 -12.270 1.803 1.00 0.34 N ATOM 387 CA CYS A 27 11.013 -13.081 1.095 1.00 0.40 C ATOM 388 C CYS A 27 10.647 -14.567 1.121 1.00 0.49 C ATOM 389 O CYS A 27 11.034 -15.299 2.010 1.00 0.60 O ATOM 390 CB CYS A 27 12.307 -12.825 1.867 1.00 0.47 C ATOM 391 SG CYS A 27 13.639 -12.476 0.694 1.00 0.56 S ATOM 0 H CYS A 27 10.323 -11.748 2.611 1.00 0.34 H new ATOM 0 HA CYS A 27 11.101 -12.808 0.043 1.00 0.40 H new ATOM 0 HB2 CYS A 27 12.178 -11.985 2.549 1.00 0.47 H new ATOM 0 HB3 CYS A 27 12.560 -13.694 2.475 1.00 0.47 H new ATOM 396 N ASP A 28 9.909 -15.017 0.139 1.00 0.53 N ATOM 397 CA ASP A 28 9.521 -16.456 0.084 1.00 0.66 C ATOM 398 C ASP A 28 9.676 -16.977 -1.351 1.00 0.75 C ATOM 399 O ASP A 28 9.839 -16.212 -2.279 1.00 0.81 O ATOM 400 CB ASP A 28 8.051 -16.480 0.508 1.00 0.70 C ATOM 401 CG ASP A 28 7.203 -15.814 -0.577 1.00 0.86 C ATOM 402 OD1 ASP A 28 7.708 -14.909 -1.222 1.00 0.94 O ATOM 403 OD2 ASP A 28 6.064 -16.217 -0.745 1.00 1.00 O ATOM 0 H ASP A 28 9.558 -14.446 -0.630 1.00 0.53 H new ATOM 0 HA ASP A 28 10.139 -17.085 0.725 1.00 0.66 H new ATOM 0 HB2 ASP A 28 7.722 -17.507 0.664 1.00 0.70 H new ATOM 0 HB3 ASP A 28 7.925 -15.958 1.456 1.00 0.70 H new ATOM 408 N LYS A 29 9.626 -18.267 -1.546 1.00 0.73 N ATOM 409 CA LYS A 29 9.773 -18.812 -2.928 1.00 0.79 C ATOM 410 C LYS A 29 11.172 -18.511 -3.466 1.00 0.70 C ATOM 411 O LYS A 29 11.333 -17.811 -4.444 1.00 0.75 O ATOM 412 CB LYS A 29 8.713 -18.082 -3.751 1.00 0.90 C ATOM 413 CG LYS A 29 8.368 -18.897 -5.001 1.00 0.98 C ATOM 414 CD LYS A 29 6.850 -19.072 -5.086 1.00 1.10 C ATOM 415 CE LYS A 29 6.512 -20.154 -6.114 1.00 1.13 C ATOM 416 NZ LYS A 29 5.161 -20.647 -5.725 1.00 1.12 N ATOM 0 H LYS A 29 9.491 -18.964 -0.814 1.00 0.73 H new ATOM 0 HA LYS A 29 9.645 -19.894 -2.965 1.00 0.79 H new ATOM 0 HB2 LYS A 29 7.817 -17.926 -3.150 1.00 0.90 H new ATOM 0 HB3 LYS A 29 9.079 -17.096 -4.039 1.00 0.90 H new ATOM 0 HG2 LYS A 29 8.738 -18.391 -5.893 1.00 0.98 H new ATOM 0 HG3 LYS A 29 8.856 -19.871 -4.961 1.00 0.98 H new ATOM 0 HD2 LYS A 29 6.451 -19.347 -4.110 1.00 1.10 H new ATOM 0 HD3 LYS A 29 6.381 -18.129 -5.368 1.00 1.10 H new ATOM 0 HE2 LYS A 29 6.508 -19.749 -7.126 1.00 1.13 H new ATOM 0 HE3 LYS A 29 7.246 -20.959 -6.095 1.00 1.13 H new ATOM 0 HZ1 LYS A 29 4.860 -21.393 -6.385 1.00 1.12 H new ATOM 0 HZ2 LYS A 29 5.197 -21.033 -4.760 1.00 1.12 H new ATOM 0 HZ3 LYS A 29 4.481 -19.860 -5.759 1.00 1.12 H new ATOM 430 N PHE A 30 12.175 -19.040 -2.824 1.00 0.66 N ATOM 431 CA PHE A 30 13.582 -18.804 -3.271 1.00 0.55 C ATOM 432 C PHE A 30 14.008 -17.366 -2.958 1.00 0.50 C ATOM 433 O PHE A 30 14.791 -16.782 -3.678 1.00 0.52 O ATOM 434 CB PHE A 30 13.594 -19.061 -4.782 1.00 0.50 C ATOM 435 CG PHE A 30 12.842 -20.336 -5.086 1.00 0.58 C ATOM 436 CD1 PHE A 30 13.098 -21.495 -4.343 1.00 0.74 C ATOM 437 CD2 PHE A 30 11.888 -20.360 -6.112 1.00 0.59 C ATOM 438 CE1 PHE A 30 12.401 -22.677 -4.623 1.00 0.87 C ATOM 439 CE2 PHE A 30 11.192 -21.542 -6.392 1.00 0.71 C ATOM 440 CZ PHE A 30 11.449 -22.699 -5.649 1.00 0.83 C ATOM 0 H PHE A 30 12.082 -19.633 -1.999 1.00 0.66 H new ATOM 0 HA PHE A 30 14.283 -19.460 -2.755 1.00 0.55 H new ATOM 0 HB2 PHE A 30 13.136 -18.223 -5.307 1.00 0.50 H new ATOM 0 HB3 PHE A 30 14.621 -19.138 -5.140 1.00 0.50 H new ATOM 0 HD1 PHE A 30 13.834 -21.477 -3.553 1.00 0.74 H new ATOM 0 HD2 PHE A 30 11.690 -19.467 -6.686 1.00 0.59 H new ATOM 0 HE1 PHE A 30 12.598 -23.570 -4.048 1.00 0.87 H new ATOM 0 HE2 PHE A 30 10.456 -21.561 -7.182 1.00 0.71 H new ATOM 0 HZ PHE A 30 10.912 -23.610 -5.867 1.00 0.83 H new ATOM 450 N CYS A 31 13.493 -16.802 -1.885 1.00 0.47 N ATOM 451 CA CYS A 31 13.848 -15.409 -1.487 1.00 0.41 C ATOM 452 C CYS A 31 15.262 -15.058 -1.948 1.00 0.34 C ATOM 453 O CYS A 31 16.227 -15.285 -1.248 1.00 0.45 O ATOM 454 CB CYS A 31 13.761 -15.431 0.042 1.00 0.53 C ATOM 455 SG CYS A 31 14.794 -14.128 0.770 1.00 0.62 S ATOM 0 H CYS A 31 12.830 -17.263 -1.262 1.00 0.47 H new ATOM 0 HA CYS A 31 13.192 -14.662 -1.934 1.00 0.41 H new ATOM 0 HB2 CYS A 31 12.725 -15.295 0.353 1.00 0.53 H new ATOM 0 HB3 CYS A 31 14.081 -16.404 0.414 1.00 0.53 H new ATOM 460 N SER A 32 15.383 -14.504 -3.117 1.00 0.29 N ATOM 461 CA SER A 32 16.727 -14.133 -3.638 1.00 0.23 C ATOM 462 C SER A 32 16.585 -13.585 -5.050 1.00 0.23 C ATOM 463 O SER A 32 17.332 -12.729 -5.481 1.00 0.34 O ATOM 464 CB SER A 32 17.519 -15.441 -3.674 1.00 0.27 C ATOM 465 OG SER A 32 16.968 -16.290 -4.674 1.00 0.32 O ATOM 0 H SER A 32 14.604 -14.290 -3.740 1.00 0.29 H new ATOM 0 HA SER A 32 17.214 -13.375 -3.025 1.00 0.23 H new ATOM 0 HB2 SER A 32 18.569 -15.240 -3.888 1.00 0.27 H new ATOM 0 HB3 SER A 32 17.480 -15.931 -2.701 1.00 0.27 H new ATOM 0 HG SER A 32 16.284 -16.866 -4.273 1.00 0.32 H new ATOM 471 N ILE A 33 15.635 -14.091 -5.781 1.00 0.27 N ATOM 472 CA ILE A 33 15.448 -13.617 -7.175 1.00 0.34 C ATOM 473 C ILE A 33 14.052 -13.029 -7.373 1.00 0.45 C ATOM 474 O ILE A 33 13.891 -12.002 -8.002 1.00 0.56 O ATOM 475 CB ILE A 33 15.633 -14.863 -8.040 1.00 0.37 C ATOM 476 CG1 ILE A 33 17.061 -15.389 -7.875 1.00 0.48 C ATOM 477 CG2 ILE A 33 15.385 -14.507 -9.508 1.00 0.41 C ATOM 478 CD1 ILE A 33 17.044 -16.918 -7.838 1.00 0.53 C ATOM 0 H ILE A 33 14.981 -14.811 -5.473 1.00 0.27 H new ATOM 0 HA ILE A 33 16.152 -12.825 -7.432 1.00 0.34 H new ATOM 0 HB ILE A 33 14.925 -15.631 -7.729 1.00 0.37 H new ATOM 0 HG12 ILE A 33 17.684 -15.042 -8.699 1.00 0.48 H new ATOM 0 HG13 ILE A 33 17.500 -14.998 -6.957 1.00 0.48 H new ATOM 0 HG21 ILE A 33 15.517 -15.396 -10.125 1.00 0.41 H new ATOM 0 HG22 ILE A 33 14.368 -14.132 -9.625 1.00 0.41 H new ATOM 0 HG23 ILE A 33 16.093 -13.740 -9.821 1.00 0.41 H new ATOM 0 HD11 ILE A 33 18.062 -17.290 -7.721 1.00 0.53 H new ATOM 0 HD12 ILE A 33 16.435 -17.255 -6.999 1.00 0.53 H new ATOM 0 HD13 ILE A 33 16.623 -17.300 -8.768 1.00 0.53 H new ATOM 490 N ARG A 34 13.031 -13.668 -6.855 1.00 0.47 N ATOM 491 CA ARG A 34 11.666 -13.137 -7.041 1.00 0.60 C ATOM 492 C ARG A 34 10.746 -13.555 -5.886 1.00 0.59 C ATOM 493 O ARG A 34 9.628 -13.982 -6.098 1.00 0.71 O ATOM 494 CB ARG A 34 11.164 -13.729 -8.368 1.00 0.72 C ATOM 495 CG ARG A 34 12.311 -13.787 -9.383 1.00 0.69 C ATOM 496 CD ARG A 34 11.806 -14.329 -10.719 1.00 0.83 C ATOM 497 NE ARG A 34 12.678 -13.676 -11.733 1.00 0.88 N ATOM 498 CZ ARG A 34 12.491 -13.911 -13.000 1.00 1.06 C ATOM 499 NH1 ARG A 34 11.282 -13.926 -13.488 1.00 1.21 N ATOM 500 NH2 ARG A 34 13.516 -14.129 -13.780 1.00 1.19 N ATOM 0 H ARG A 34 13.094 -14.531 -6.315 1.00 0.47 H new ATOM 0 HA ARG A 34 11.668 -12.047 -7.058 1.00 0.60 H new ATOM 0 HB2 ARG A 34 10.764 -14.729 -8.201 1.00 0.72 H new ATOM 0 HB3 ARG A 34 10.349 -13.121 -8.762 1.00 0.72 H new ATOM 0 HG2 ARG A 34 12.734 -12.792 -9.522 1.00 0.69 H new ATOM 0 HG3 ARG A 34 13.111 -14.423 -9.003 1.00 0.69 H new ATOM 0 HD2 ARG A 34 11.887 -15.415 -10.764 1.00 0.83 H new ATOM 0 HD3 ARG A 34 10.756 -14.081 -10.878 1.00 0.83 H new ATOM 0 HE ARG A 34 13.422 -13.045 -11.436 1.00 0.88 H new ATOM 0 HH11 ARG A 34 10.483 -13.754 -12.877 1.00 1.21 H new ATOM 0 HH12 ARG A 34 11.135 -14.110 -14.480 1.00 1.21 H new ATOM 0 HH21 ARG A 34 14.461 -14.115 -13.396 1.00 1.19 H new ATOM 0 HH22 ARG A 34 13.371 -14.313 -14.773 1.00 1.19 H new ATOM 514 N GLY A 35 11.193 -13.418 -4.666 1.00 0.47 N ATOM 515 CA GLY A 35 10.319 -13.791 -3.515 1.00 0.47 C ATOM 516 C GLY A 35 9.940 -12.550 -2.672 1.00 0.41 C ATOM 517 O GLY A 35 9.752 -12.672 -1.479 1.00 0.45 O ATOM 0 H GLY A 35 12.118 -13.067 -4.417 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.414 -14.273 -3.884 1.00 0.47 H new ATOM 0 HA3 GLY A 35 10.833 -14.518 -2.886 1.00 0.47 H new ATOM 521 N PRO A 36 9.837 -11.393 -3.299 1.00 0.38 N ATOM 522 CA PRO A 36 9.475 -10.159 -2.549 1.00 0.35 C ATOM 523 C PRO A 36 7.968 -10.100 -2.284 1.00 0.38 C ATOM 524 O PRO A 36 7.444 -9.082 -1.879 1.00 0.45 O ATOM 525 CB PRO A 36 9.863 -9.033 -3.502 1.00 0.37 C ATOM 526 CG PRO A 36 9.786 -9.634 -4.868 1.00 0.43 C ATOM 527 CD PRO A 36 10.039 -11.113 -4.728 1.00 0.48 C ATOM 0 HA PRO A 36 9.969 -10.106 -1.579 1.00 0.35 H new ATOM 0 HB2 PRO A 36 9.186 -8.185 -3.406 1.00 0.37 H new ATOM 0 HB3 PRO A 36 10.867 -8.665 -3.289 1.00 0.37 H new ATOM 0 HG2 PRO A 36 8.807 -9.453 -5.312 1.00 0.43 H new ATOM 0 HG3 PRO A 36 10.524 -9.180 -5.529 1.00 0.43 H new ATOM 0 HD2 PRO A 36 9.353 -11.692 -5.346 1.00 0.48 H new ATOM 0 HD3 PRO A 36 11.049 -11.373 -5.044 1.00 0.48 H new ATOM 535 N VAL A 37 7.256 -11.159 -2.544 1.00 0.39 N ATOM 536 CA VAL A 37 5.781 -11.116 -2.338 1.00 0.46 C ATOM 537 C VAL A 37 5.301 -12.322 -1.551 1.00 0.41 C ATOM 538 O VAL A 37 6.051 -13.230 -1.254 1.00 0.45 O ATOM 539 CB VAL A 37 5.203 -11.111 -3.752 1.00 0.59 C ATOM 540 CG1 VAL A 37 3.681 -11.221 -3.692 1.00 0.76 C ATOM 541 CG2 VAL A 37 5.592 -9.806 -4.445 1.00 0.62 C ATOM 0 H VAL A 37 7.626 -12.045 -2.887 1.00 0.39 H new ATOM 0 HA VAL A 37 5.468 -10.247 -1.760 1.00 0.46 H new ATOM 0 HB VAL A 37 5.599 -11.960 -4.309 1.00 0.59 H new ATOM 0 HG11 VAL A 37 3.276 -11.217 -4.704 1.00 0.76 H new ATOM 0 HG12 VAL A 37 3.403 -12.149 -3.193 1.00 0.76 H new ATOM 0 HG13 VAL A 37 3.277 -10.375 -3.136 1.00 0.76 H new ATOM 0 HG21 VAL A 37 5.183 -9.795 -5.455 1.00 0.62 H new ATOM 0 HG22 VAL A 37 5.193 -8.962 -3.882 1.00 0.62 H new ATOM 0 HG23 VAL A 37 6.678 -9.729 -4.492 1.00 0.62 H new ATOM 551 N ILE A 38 4.056 -12.319 -1.180 1.00 0.40 N ATOM 552 CA ILE A 38 3.537 -13.443 -0.384 1.00 0.37 C ATOM 553 C ILE A 38 2.114 -13.808 -0.834 1.00 0.36 C ATOM 554 O ILE A 38 1.903 -14.801 -1.501 1.00 0.47 O ATOM 555 CB ILE A 38 3.614 -12.915 1.059 1.00 0.36 C ATOM 556 CG1 ILE A 38 4.811 -13.555 1.749 1.00 0.36 C ATOM 557 CG2 ILE A 38 2.352 -13.252 1.860 1.00 0.43 C ATOM 558 CD1 ILE A 38 4.594 -15.061 1.815 1.00 0.35 C ATOM 0 H ILE A 38 3.381 -11.585 -1.396 1.00 0.40 H new ATOM 0 HA ILE A 38 4.096 -14.372 -0.495 1.00 0.37 H new ATOM 0 HB ILE A 38 3.711 -11.830 1.017 1.00 0.36 H new ATOM 0 HG12 ILE A 38 5.727 -13.330 1.202 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.930 -13.147 2.753 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.449 -12.861 2.873 1.00 0.43 H new ATOM 0 HG22 ILE A 38 1.484 -12.801 1.378 1.00 0.43 H new ATOM 0 HG23 ILE A 38 2.224 -14.334 1.900 1.00 0.43 H new ATOM 0 HD11 ILE A 38 5.446 -15.530 2.308 1.00 0.35 H new ATOM 0 HD12 ILE A 38 3.686 -15.273 2.380 1.00 0.35 H new ATOM 0 HD13 ILE A 38 4.495 -15.459 0.805 1.00 0.35 H new ATOM 570 N GLU A 39 1.142 -13.016 -0.482 1.00 0.35 N ATOM 571 CA GLU A 39 -0.259 -13.319 -0.894 1.00 0.36 C ATOM 572 C GLU A 39 -1.119 -12.059 -0.770 1.00 0.42 C ATOM 573 O GLU A 39 -0.765 -11.125 -0.081 1.00 0.53 O ATOM 574 CB GLU A 39 -0.735 -14.402 0.071 1.00 0.38 C ATOM 575 CG GLU A 39 -0.748 -13.849 1.495 1.00 0.42 C ATOM 576 CD GLU A 39 -2.193 -13.576 1.915 1.00 0.46 C ATOM 577 OE1 GLU A 39 -2.686 -12.504 1.607 1.00 0.55 O ATOM 578 OE2 GLU A 39 -2.783 -14.448 2.531 1.00 0.51 O ATOM 0 H GLU A 39 1.256 -12.169 0.075 1.00 0.35 H new ATOM 0 HA GLU A 39 -0.328 -13.651 -1.930 1.00 0.36 H new ATOM 0 HB2 GLU A 39 -1.733 -14.739 -0.208 1.00 0.38 H new ATOM 0 HB3 GLU A 39 -0.078 -15.270 0.013 1.00 0.38 H new ATOM 0 HG2 GLU A 39 -0.286 -14.561 2.179 1.00 0.42 H new ATOM 0 HG3 GLU A 39 -0.162 -12.931 1.547 1.00 0.42 H new ATOM 585 N GLN A 40 -2.244 -12.021 -1.429 1.00 0.42 N ATOM 586 CA GLN A 40 -3.109 -10.810 -1.337 1.00 0.46 C ATOM 587 C GLN A 40 -4.561 -11.153 -1.681 1.00 0.48 C ATOM 588 O GLN A 40 -4.868 -12.247 -2.112 1.00 0.60 O ATOM 589 CB GLN A 40 -2.527 -9.836 -2.357 1.00 0.52 C ATOM 590 CG GLN A 40 -2.740 -10.383 -3.769 1.00 0.47 C ATOM 591 CD GLN A 40 -3.440 -9.321 -4.619 1.00 0.62 C ATOM 592 OE1 GLN A 40 -3.170 -8.143 -4.483 1.00 0.86 O ATOM 593 NE2 GLN A 40 -4.335 -9.688 -5.493 1.00 0.82 N ATOM 0 H GLN A 40 -2.600 -12.770 -2.023 1.00 0.42 H new ATOM 0 HA GLN A 40 -3.123 -10.391 -0.331 1.00 0.46 H new ATOM 0 HB2 GLN A 40 -3.005 -8.861 -2.258 1.00 0.52 H new ATOM 0 HB3 GLN A 40 -1.463 -9.690 -2.169 1.00 0.52 H new ATOM 0 HG2 GLN A 40 -1.783 -10.651 -4.216 1.00 0.47 H new ATOM 0 HG3 GLN A 40 -3.341 -11.292 -3.733 1.00 0.47 H new ATOM 0 HE21 GLN A 40 -4.561 -10.676 -5.607 1.00 0.82 H new ATOM 0 HE22 GLN A 40 -4.809 -8.987 -6.063 1.00 0.82 H new ATOM 602 N GLY A 41 -5.457 -10.220 -1.499 1.00 0.43 N ATOM 603 CA GLY A 41 -6.888 -10.488 -1.821 1.00 0.44 C ATOM 604 C GLY A 41 -7.767 -10.167 -0.610 1.00 0.40 C ATOM 605 O GLY A 41 -7.832 -9.038 -0.153 1.00 0.44 O ATOM 0 H GLY A 41 -5.260 -9.285 -1.142 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.196 -9.884 -2.675 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.016 -11.532 -2.107 1.00 0.44 H new ATOM 609 N CYS A 42 -8.455 -11.156 -0.099 1.00 0.38 N ATOM 610 CA CYS A 42 -9.356 -10.927 1.069 1.00 0.40 C ATOM 611 C CYS A 42 -9.000 -11.856 2.236 1.00 0.39 C ATOM 612 O CYS A 42 -8.623 -12.998 2.047 1.00 0.48 O ATOM 613 CB CYS A 42 -10.753 -11.244 0.529 1.00 0.44 C ATOM 614 SG CYS A 42 -10.909 -13.021 0.210 1.00 0.47 S ATOM 0 H CYS A 42 -8.431 -12.116 -0.443 1.00 0.38 H new ATOM 0 HA CYS A 42 -9.275 -9.913 1.462 1.00 0.40 H new ATOM 0 HB2 CYS A 42 -11.509 -10.928 1.247 1.00 0.44 H new ATOM 0 HB3 CYS A 42 -10.932 -10.685 -0.389 1.00 0.44 H new ATOM 619 N VAL A 43 -9.124 -11.373 3.447 1.00 0.35 N ATOM 620 CA VAL A 43 -8.801 -12.218 4.637 1.00 0.34 C ATOM 621 C VAL A 43 -9.572 -11.716 5.865 1.00 0.34 C ATOM 622 O VAL A 43 -10.563 -12.295 6.269 1.00 0.43 O ATOM 623 CB VAL A 43 -7.293 -12.063 4.857 1.00 0.32 C ATOM 624 CG1 VAL A 43 -6.893 -12.772 6.152 1.00 0.38 C ATOM 625 CG2 VAL A 43 -6.533 -12.694 3.688 1.00 0.37 C ATOM 0 H VAL A 43 -9.436 -10.426 3.663 1.00 0.35 H new ATOM 0 HA VAL A 43 -9.080 -13.260 4.482 1.00 0.34 H new ATOM 0 HB VAL A 43 -7.047 -11.003 4.923 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -5.820 -12.663 6.310 1.00 0.38 H new ATOM 0 HG12 VAL A 43 -7.430 -12.329 6.990 1.00 0.38 H new ATOM 0 HG13 VAL A 43 -7.143 -13.830 6.080 1.00 0.38 H new ATOM 0 HG21 VAL A 43 -5.461 -12.582 3.848 1.00 0.37 H new ATOM 0 HG22 VAL A 43 -6.781 -13.753 3.622 1.00 0.37 H new ATOM 0 HG23 VAL A 43 -6.815 -12.197 2.760 1.00 0.37 H new ATOM 635 N ALA A 44 -9.124 -10.643 6.463 1.00 0.31 N ATOM 636 CA ALA A 44 -9.830 -10.105 7.664 1.00 0.35 C ATOM 637 C ALA A 44 -9.367 -8.677 7.953 1.00 0.32 C ATOM 638 O ALA A 44 -10.094 -7.723 7.759 1.00 0.36 O ATOM 639 CB ALA A 44 -9.435 -11.031 8.813 1.00 0.43 C ATOM 0 H ALA A 44 -8.300 -10.116 6.172 1.00 0.31 H new ATOM 0 HA ALA A 44 -10.910 -10.071 7.521 1.00 0.35 H new ATOM 0 HB1 ALA A 44 -9.917 -10.697 9.732 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.752 -12.049 8.586 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.353 -11.009 8.943 1.00 0.43 H new ATOM 645 N THR A 45 -8.161 -8.525 8.415 1.00 0.35 N ATOM 646 CA THR A 45 -7.646 -7.159 8.718 1.00 0.41 C ATOM 647 C THR A 45 -6.226 -6.996 8.163 1.00 0.43 C ATOM 648 O THR A 45 -5.676 -7.901 7.569 1.00 0.53 O ATOM 649 CB THR A 45 -7.658 -7.060 10.246 1.00 0.51 C ATOM 650 OG1 THR A 45 -7.565 -5.695 10.628 1.00 0.66 O ATOM 651 CG2 THR A 45 -6.477 -7.837 10.829 1.00 0.60 C ATOM 0 H THR A 45 -7.507 -9.286 8.597 1.00 0.35 H new ATOM 0 HA THR A 45 -8.249 -6.374 8.262 1.00 0.41 H new ATOM 0 HB THR A 45 -8.586 -7.486 10.628 1.00 0.51 H new ATOM 0 HG1 THR A 45 -7.574 -5.628 11.606 1.00 0.66 H new ATOM 0 HG21 THR A 45 -6.493 -7.761 11.916 1.00 0.60 H new ATOM 0 HG22 THR A 45 -6.551 -8.885 10.537 1.00 0.60 H new ATOM 0 HG23 THR A 45 -5.544 -7.420 10.450 1.00 0.60 H new ATOM 659 N CYS A 46 -5.634 -5.845 8.338 1.00 0.47 N ATOM 660 CA CYS A 46 -4.257 -5.624 7.805 1.00 0.49 C ATOM 661 C CYS A 46 -3.226 -5.637 8.938 1.00 0.51 C ATOM 662 O CYS A 46 -3.530 -5.288 10.061 1.00 0.72 O ATOM 663 CB CYS A 46 -4.303 -4.243 7.154 1.00 0.51 C ATOM 664 SG CYS A 46 -5.087 -4.363 5.529 1.00 0.48 S ATOM 0 H CYS A 46 -6.043 -5.049 8.826 1.00 0.47 H new ATOM 0 HA CYS A 46 -3.965 -6.406 7.104 1.00 0.49 H new ATOM 0 HB2 CYS A 46 -4.858 -3.550 7.786 1.00 0.51 H new ATOM 0 HB3 CYS A 46 -3.294 -3.844 7.053 1.00 0.51 H new ATOM 669 N PRO A 47 -2.028 -6.035 8.594 1.00 0.39 N ATOM 670 CA PRO A 47 -0.928 -6.087 9.586 1.00 0.39 C ATOM 671 C PRO A 47 -0.467 -4.669 9.936 1.00 0.36 C ATOM 672 O PRO A 47 -0.662 -3.738 9.182 1.00 0.37 O ATOM 673 CB PRO A 47 0.175 -6.855 8.862 1.00 0.42 C ATOM 674 CG PRO A 47 -0.101 -6.645 7.408 1.00 0.51 C ATOM 675 CD PRO A 47 -1.591 -6.468 7.263 1.00 0.47 C ATOM 0 HA PRO A 47 -1.217 -6.557 10.526 1.00 0.39 H new ATOM 0 HB2 PRO A 47 1.162 -6.481 9.135 1.00 0.42 H new ATOM 0 HB3 PRO A 47 0.153 -7.914 9.119 1.00 0.42 H new ATOM 0 HG2 PRO A 47 0.429 -5.768 7.038 1.00 0.51 H new ATOM 0 HG3 PRO A 47 0.245 -7.497 6.823 1.00 0.51 H new ATOM 0 HD2 PRO A 47 -1.833 -5.726 6.502 1.00 0.47 H new ATOM 0 HD3 PRO A 47 -2.076 -7.398 6.966 1.00 0.47 H new ATOM 683 N GLN A 48 0.139 -4.504 11.077 1.00 0.36 N ATOM 684 CA GLN A 48 0.611 -3.167 11.491 1.00 0.32 C ATOM 685 C GLN A 48 1.758 -2.716 10.596 1.00 0.27 C ATOM 686 O GLN A 48 2.863 -2.516 11.056 1.00 0.33 O ATOM 687 CB GLN A 48 1.097 -3.345 12.924 1.00 0.40 C ATOM 688 CG GLN A 48 2.075 -4.517 12.969 1.00 0.51 C ATOM 689 CD GLN A 48 3.159 -4.244 14.009 1.00 0.78 C ATOM 690 OE1 GLN A 48 3.795 -3.208 13.984 1.00 1.00 O ATOM 691 NE2 GLN A 48 3.401 -5.135 14.931 1.00 0.94 N ATOM 0 H GLN A 48 0.327 -5.252 11.745 1.00 0.36 H new ATOM 0 HA GLN A 48 -0.172 -2.412 11.415 1.00 0.32 H new ATOM 0 HB2 GLN A 48 1.583 -2.434 13.274 1.00 0.40 H new ATOM 0 HB3 GLN A 48 0.253 -3.532 13.588 1.00 0.40 H new ATOM 0 HG2 GLN A 48 1.544 -5.437 13.216 1.00 0.51 H new ATOM 0 HG3 GLN A 48 2.527 -4.663 11.988 1.00 0.51 H new ATOM 0 HE21 GLN A 48 2.868 -6.004 14.953 1.00 0.94 H new ATOM 0 HE22 GLN A 48 4.123 -4.962 15.630 1.00 0.94 H new ATOM 700 N PHE A 49 1.477 -2.571 9.325 1.00 0.24 N ATOM 701 CA PHE A 49 2.509 -2.133 8.318 1.00 0.23 C ATOM 702 C PHE A 49 3.836 -1.754 8.987 1.00 0.27 C ATOM 703 O PHE A 49 3.898 -0.835 9.778 1.00 0.44 O ATOM 704 CB PHE A 49 1.905 -0.894 7.655 1.00 0.29 C ATOM 705 CG PHE A 49 0.964 -1.290 6.538 1.00 0.26 C ATOM 706 CD1 PHE A 49 -0.300 -1.820 6.832 1.00 0.31 C ATOM 707 CD2 PHE A 49 1.352 -1.110 5.204 1.00 0.28 C ATOM 708 CE1 PHE A 49 -1.171 -2.171 5.792 1.00 0.31 C ATOM 709 CE2 PHE A 49 0.479 -1.460 4.166 1.00 0.29 C ATOM 710 CZ PHE A 49 -0.781 -1.991 4.461 1.00 0.27 C ATOM 0 H PHE A 49 0.553 -2.741 8.928 1.00 0.24 H new ATOM 0 HA PHE A 49 2.734 -2.936 7.615 1.00 0.23 H new ATOM 0 HB2 PHE A 49 1.368 -0.304 8.397 1.00 0.29 H new ATOM 0 HB3 PHE A 49 2.701 -0.262 7.260 1.00 0.29 H new ATOM 0 HD1 PHE A 49 -0.602 -1.958 7.860 1.00 0.31 H new ATOM 0 HD2 PHE A 49 2.325 -0.701 4.976 1.00 0.28 H new ATOM 0 HE1 PHE A 49 -2.144 -2.581 6.018 1.00 0.31 H new ATOM 0 HE2 PHE A 49 0.779 -1.320 3.138 1.00 0.29 H new ATOM 0 HZ PHE A 49 -1.453 -2.262 3.660 1.00 0.27 H new ATOM 720 N ARG A 50 4.894 -2.456 8.685 1.00 0.27 N ATOM 721 CA ARG A 50 6.206 -2.128 9.317 1.00 0.25 C ATOM 722 C ARG A 50 7.359 -2.731 8.519 1.00 0.23 C ATOM 723 O ARG A 50 7.171 -3.307 7.466 1.00 0.28 O ATOM 724 CB ARG A 50 6.145 -2.757 10.708 1.00 0.28 C ATOM 725 CG ARG A 50 6.201 -4.279 10.583 1.00 0.26 C ATOM 726 CD ARG A 50 5.049 -4.894 11.378 1.00 0.30 C ATOM 727 NE ARG A 50 5.665 -6.002 12.159 1.00 0.32 N ATOM 728 CZ ARG A 50 4.937 -6.682 13.000 1.00 0.46 C ATOM 729 NH1 ARG A 50 3.779 -7.152 12.623 1.00 0.82 N ATOM 730 NH2 ARG A 50 5.366 -6.884 14.218 1.00 0.49 N ATOM 0 H ARG A 50 4.908 -3.239 8.031 1.00 0.27 H new ATOM 0 HA ARG A 50 6.377 -1.052 9.354 1.00 0.25 H new ATOM 0 HB2 ARG A 50 6.976 -2.401 11.316 1.00 0.28 H new ATOM 0 HB3 ARG A 50 5.228 -2.457 11.214 1.00 0.28 H new ATOM 0 HG2 ARG A 50 6.132 -4.572 9.535 1.00 0.26 H new ATOM 0 HG3 ARG A 50 7.155 -4.651 10.956 1.00 0.26 H new ATOM 0 HD2 ARG A 50 4.587 -4.158 12.035 1.00 0.30 H new ATOM 0 HD3 ARG A 50 4.267 -5.266 10.716 1.00 0.30 H new ATOM 0 HE ARG A 50 6.652 -6.228 12.037 1.00 0.32 H new ATOM 0 HH11 ARG A 50 3.446 -6.987 11.673 1.00 0.82 H new ATOM 0 HH12 ARG A 50 3.207 -7.684 13.278 1.00 0.82 H new ATOM 0 HH21 ARG A 50 6.269 -6.510 14.509 1.00 0.49 H new ATOM 0 HH22 ARG A 50 4.798 -7.416 14.877 1.00 0.49 H new ATOM 744 N SER A 51 8.551 -2.595 9.022 1.00 0.25 N ATOM 745 CA SER A 51 9.744 -3.146 8.314 1.00 0.28 C ATOM 746 C SER A 51 9.817 -4.675 8.441 1.00 0.28 C ATOM 747 O SER A 51 10.862 -5.228 8.722 1.00 0.41 O ATOM 748 CB SER A 51 10.939 -2.497 9.008 1.00 0.37 C ATOM 749 OG SER A 51 11.295 -3.266 10.149 1.00 0.47 O ATOM 0 H SER A 51 8.755 -2.121 9.902 1.00 0.25 H new ATOM 0 HA SER A 51 9.711 -2.933 7.245 1.00 0.28 H new ATOM 0 HB2 SER A 51 11.783 -2.433 8.321 1.00 0.37 H new ATOM 0 HB3 SER A 51 10.692 -1.478 9.305 1.00 0.37 H new ATOM 0 HG SER A 51 11.677 -4.121 9.861 1.00 0.47 H new ATOM 755 N ASN A 52 8.730 -5.369 8.231 1.00 0.25 N ATOM 756 CA ASN A 52 8.773 -6.857 8.336 1.00 0.27 C ATOM 757 C ASN A 52 8.378 -7.498 7.004 1.00 0.33 C ATOM 758 O ASN A 52 8.748 -8.616 6.713 1.00 0.63 O ATOM 759 CB ASN A 52 7.768 -7.218 9.430 1.00 0.33 C ATOM 760 CG ASN A 52 8.502 -7.353 10.766 1.00 0.39 C ATOM 761 OD1 ASN A 52 8.577 -8.429 11.325 1.00 0.45 O ATOM 762 ND2 ASN A 52 9.049 -6.298 11.306 1.00 0.59 N ATOM 0 H ASN A 52 7.820 -4.974 7.993 1.00 0.25 H new ATOM 0 HA ASN A 52 9.773 -7.219 8.575 1.00 0.27 H new ATOM 0 HB2 ASN A 52 6.998 -6.449 9.501 1.00 0.33 H new ATOM 0 HB3 ASN A 52 7.264 -8.152 9.183 1.00 0.33 H new ATOM 0 HD21 ASN A 52 9.539 -6.377 12.197 1.00 0.59 H new ATOM 0 HD22 ASN A 52 8.986 -5.394 10.837 1.00 0.59 H new ATOM 769 N TYR A 53 7.634 -6.799 6.192 1.00 0.22 N ATOM 770 CA TYR A 53 7.225 -7.376 4.881 1.00 0.26 C ATOM 771 C TYR A 53 7.990 -6.696 3.749 1.00 0.28 C ATOM 772 O TYR A 53 8.949 -5.985 3.970 1.00 0.35 O ATOM 773 CB TYR A 53 5.732 -7.087 4.758 1.00 0.28 C ATOM 774 CG TYR A 53 5.037 -7.502 6.029 1.00 0.26 C ATOM 775 CD1 TYR A 53 4.673 -8.838 6.220 1.00 0.31 C ATOM 776 CD2 TYR A 53 4.764 -6.552 7.021 1.00 0.30 C ATOM 777 CE1 TYR A 53 4.034 -9.227 7.402 1.00 0.34 C ATOM 778 CE2 TYR A 53 4.126 -6.941 8.204 1.00 0.31 C ATOM 779 CZ TYR A 53 3.761 -8.280 8.394 1.00 0.30 C ATOM 780 OH TYR A 53 3.135 -8.665 9.561 1.00 0.36 O ATOM 0 H TYR A 53 7.293 -5.856 6.379 1.00 0.22 H new ATOM 0 HA TYR A 53 7.437 -8.444 4.821 1.00 0.26 H new ATOM 0 HB2 TYR A 53 5.570 -6.025 4.571 1.00 0.28 H new ATOM 0 HB3 TYR A 53 5.314 -7.627 3.909 1.00 0.28 H new ATOM 0 HD1 TYR A 53 4.885 -9.570 5.455 1.00 0.31 H new ATOM 0 HD2 TYR A 53 5.046 -5.520 6.873 1.00 0.30 H new ATOM 0 HE1 TYR A 53 3.751 -10.259 7.548 1.00 0.34 H new ATOM 0 HE2 TYR A 53 3.915 -6.209 8.970 1.00 0.31 H new ATOM 0 HH TYR A 53 3.716 -8.467 10.325 1.00 0.36 H new ATOM 790 N ARG A 54 7.568 -6.907 2.538 1.00 0.26 N ATOM 791 CA ARG A 54 8.263 -6.271 1.390 1.00 0.30 C ATOM 792 C ARG A 54 7.289 -5.372 0.629 1.00 0.30 C ATOM 793 O ARG A 54 7.673 -4.615 -0.240 1.00 0.38 O ATOM 794 CB ARG A 54 8.717 -7.440 0.523 1.00 0.31 C ATOM 795 CG ARG A 54 9.654 -8.333 1.335 1.00 0.35 C ATOM 796 CD ARG A 54 11.101 -7.999 0.976 1.00 0.35 C ATOM 797 NE ARG A 54 11.824 -9.297 1.053 1.00 0.44 N ATOM 798 CZ ARG A 54 13.004 -9.352 1.606 1.00 0.56 C ATOM 799 NH1 ARG A 54 13.139 -9.088 2.876 1.00 0.60 N ATOM 800 NH2 ARG A 54 14.047 -9.673 0.888 1.00 0.77 N ATOM 0 H ARG A 54 6.770 -7.493 2.293 1.00 0.26 H new ATOM 0 HA ARG A 54 9.100 -5.642 1.694 1.00 0.30 H new ATOM 0 HB2 ARG A 54 7.854 -8.012 0.182 1.00 0.31 H new ATOM 0 HB3 ARG A 54 9.227 -7.072 -0.367 1.00 0.31 H new ATOM 0 HG2 ARG A 54 9.487 -8.182 2.401 1.00 0.35 H new ATOM 0 HG3 ARG A 54 9.448 -9.383 1.126 1.00 0.35 H new ATOM 0 HD2 ARG A 54 11.171 -7.567 -0.022 1.00 0.35 H new ATOM 0 HD3 ARG A 54 11.522 -7.271 1.669 1.00 0.35 H new ATOM 0 HE ARG A 54 11.398 -10.143 0.674 1.00 0.44 H new ATOM 0 HH11 ARG A 54 12.323 -8.839 3.435 1.00 0.60 H new ATOM 0 HH12 ARG A 54 14.061 -9.130 3.311 1.00 0.60 H new ATOM 0 HH21 ARG A 54 13.938 -9.881 -0.105 1.00 0.77 H new ATOM 0 HH22 ARG A 54 14.970 -9.716 1.320 1.00 0.77 H new ATOM 814 N SER A 55 6.029 -5.451 0.954 1.00 0.24 N ATOM 815 CA SER A 55 5.024 -4.603 0.253 1.00 0.24 C ATOM 816 C SER A 55 3.630 -4.860 0.821 1.00 0.22 C ATOM 817 O SER A 55 3.141 -5.974 0.813 1.00 0.22 O ATOM 818 CB SER A 55 5.095 -5.028 -1.215 1.00 0.29 C ATOM 819 OG SER A 55 4.057 -4.386 -1.941 1.00 0.35 O ATOM 0 H SER A 55 5.651 -6.066 1.675 1.00 0.24 H new ATOM 0 HA SER A 55 5.225 -3.539 0.376 1.00 0.24 H new ATOM 0 HB2 SER A 55 6.065 -4.764 -1.635 1.00 0.29 H new ATOM 0 HB3 SER A 55 4.996 -6.110 -1.297 1.00 0.29 H new ATOM 0 HG SER A 55 4.101 -4.655 -2.882 1.00 0.35 H new ATOM 825 N LEU A 56 2.981 -3.840 1.306 1.00 0.27 N ATOM 826 CA LEU A 56 1.612 -4.039 1.862 1.00 0.30 C ATOM 827 C LEU A 56 0.644 -3.026 1.238 1.00 0.34 C ATOM 828 O LEU A 56 0.952 -1.857 1.114 1.00 0.46 O ATOM 829 CB LEU A 56 1.751 -3.809 3.368 1.00 0.34 C ATOM 830 CG LEU A 56 2.552 -4.953 3.991 1.00 0.35 C ATOM 831 CD1 LEU A 56 2.704 -4.709 5.493 1.00 0.34 C ATOM 832 CD2 LEU A 56 1.819 -6.278 3.768 1.00 0.36 C ATOM 0 H LEU A 56 3.334 -2.884 1.342 1.00 0.27 H new ATOM 0 HA LEU A 56 1.215 -5.031 1.647 1.00 0.30 H new ATOM 0 HB2 LEU A 56 2.250 -2.858 3.556 1.00 0.34 H new ATOM 0 HB3 LEU A 56 0.765 -3.749 3.829 1.00 0.34 H new ATOM 0 HG LEU A 56 3.536 -4.999 3.524 1.00 0.35 H new ATOM 0 HD11 LEU A 56 3.275 -5.524 5.938 1.00 0.34 H new ATOM 0 HD12 LEU A 56 3.227 -3.767 5.657 1.00 0.34 H new ATOM 0 HD13 LEU A 56 1.718 -4.662 5.956 1.00 0.34 H new ATOM 0 HD21 LEU A 56 2.393 -7.091 4.213 1.00 0.36 H new ATOM 0 HD22 LEU A 56 0.834 -6.232 4.233 1.00 0.36 H new ATOM 0 HD23 LEU A 56 1.707 -6.456 2.699 1.00 0.36 H new ATOM 844 N LEU A 57 -0.523 -3.463 0.853 1.00 0.31 N ATOM 845 CA LEU A 57 -1.516 -2.525 0.245 1.00 0.37 C ATOM 846 C LEU A 57 -2.857 -2.665 0.960 1.00 0.35 C ATOM 847 O LEU A 57 -3.565 -3.639 0.791 1.00 0.37 O ATOM 848 CB LEU A 57 -1.647 -2.955 -1.221 1.00 0.39 C ATOM 849 CG LEU A 57 -2.685 -2.073 -1.928 1.00 0.42 C ATOM 850 CD1 LEU A 57 -1.975 -1.004 -2.759 1.00 0.52 C ATOM 851 CD2 LEU A 57 -3.547 -2.941 -2.852 1.00 0.45 C ATOM 0 H LEU A 57 -0.835 -4.431 0.932 1.00 0.31 H new ATOM 0 HA LEU A 57 -1.204 -1.484 0.329 1.00 0.37 H new ATOM 0 HB2 LEU A 57 -0.683 -2.871 -1.722 1.00 0.39 H new ATOM 0 HB3 LEU A 57 -1.946 -4.002 -1.278 1.00 0.39 H new ATOM 0 HG LEU A 57 -3.316 -1.591 -1.181 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -2.716 -0.380 -3.259 1.00 0.52 H new ATOM 0 HD12 LEU A 57 -1.360 -0.384 -2.106 1.00 0.52 H new ATOM 0 HD13 LEU A 57 -1.342 -1.484 -3.505 1.00 0.52 H new ATOM 0 HD21 LEU A 57 -4.285 -2.316 -3.355 1.00 0.45 H new ATOM 0 HD22 LEU A 57 -2.912 -3.422 -3.596 1.00 0.45 H new ATOM 0 HD23 LEU A 57 -4.058 -3.703 -2.263 1.00 0.45 H new ATOM 863 N CYS A 58 -3.213 -1.703 1.758 1.00 0.35 N ATOM 864 CA CYS A 58 -4.511 -1.787 2.480 1.00 0.29 C ATOM 865 C CYS A 58 -5.314 -0.506 2.273 1.00 0.27 C ATOM 866 O CYS A 58 -4.793 0.504 1.839 1.00 0.39 O ATOM 867 CB CYS A 58 -4.144 -1.959 3.951 1.00 0.33 C ATOM 868 SG CYS A 58 -3.674 -3.680 4.255 1.00 0.32 S ATOM 0 H CYS A 58 -2.664 -0.863 1.943 1.00 0.35 H new ATOM 0 HA CYS A 58 -5.128 -2.610 2.119 1.00 0.29 H new ATOM 0 HB2 CYS A 58 -3.321 -1.294 4.212 1.00 0.33 H new ATOM 0 HB3 CYS A 58 -4.989 -1.684 4.583 1.00 0.33 H new ATOM 873 N CYS A 59 -6.578 -0.538 2.580 1.00 0.22 N ATOM 874 CA CYS A 59 -7.410 0.680 2.398 1.00 0.26 C ATOM 875 C CYS A 59 -7.968 1.115 3.755 1.00 0.34 C ATOM 876 O CYS A 59 -8.069 2.288 4.047 1.00 0.40 O ATOM 877 CB CYS A 59 -8.533 0.269 1.441 1.00 0.27 C ATOM 878 SG CYS A 59 -7.864 -0.764 0.104 1.00 0.30 S ATOM 0 H CYS A 59 -7.070 -1.352 2.948 1.00 0.22 H new ATOM 0 HA CYS A 59 -6.846 1.522 1.995 1.00 0.26 H new ATOM 0 HB2 CYS A 59 -9.303 -0.279 1.985 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -9.008 1.156 1.023 1.00 0.27 H new ATOM 883 N THR A 60 -8.287 0.163 4.594 1.00 0.40 N ATOM 884 CA THR A 60 -8.793 0.471 5.973 1.00 0.51 C ATOM 885 C THR A 60 -10.196 1.100 5.969 1.00 0.53 C ATOM 886 O THR A 60 -10.791 1.278 7.013 1.00 0.64 O ATOM 887 CB THR A 60 -7.771 1.446 6.583 1.00 0.60 C ATOM 888 OG1 THR A 60 -8.130 2.780 6.254 1.00 0.55 O ATOM 889 CG2 THR A 60 -6.363 1.146 6.052 1.00 0.71 C ATOM 0 H THR A 60 -8.218 -0.832 4.381 1.00 0.40 H new ATOM 0 HA THR A 60 -8.891 -0.449 6.550 1.00 0.51 H new ATOM 0 HB THR A 60 -7.772 1.324 7.666 1.00 0.60 H new ATOM 0 HG1 THR A 60 -7.998 2.927 5.294 1.00 0.55 H new ATOM 0 HG21 THR A 60 -5.651 1.844 6.493 1.00 0.71 H new ATOM 0 HG22 THR A 60 -6.083 0.127 6.318 1.00 0.71 H new ATOM 0 HG23 THR A 60 -6.353 1.254 4.967 1.00 0.71 H new ATOM 897 N THR A 61 -10.741 1.433 4.834 1.00 0.48 N ATOM 898 CA THR A 61 -12.107 2.037 4.835 1.00 0.51 C ATOM 899 C THR A 61 -12.901 1.550 3.624 1.00 0.45 C ATOM 900 O THR A 61 -12.353 1.351 2.559 1.00 0.53 O ATOM 901 CB THR A 61 -11.876 3.549 4.770 1.00 0.57 C ATOM 902 OG1 THR A 61 -13.124 4.220 4.857 1.00 0.56 O ATOM 903 CG2 THR A 61 -11.190 3.916 3.454 1.00 0.66 C ATOM 0 H THR A 61 -10.310 1.317 3.917 1.00 0.48 H new ATOM 0 HA THR A 61 -12.683 1.758 5.717 1.00 0.51 H new ATOM 0 HB THR A 61 -11.238 3.851 5.601 1.00 0.57 H new ATOM 0 HG1 THR A 61 -12.978 5.188 4.817 1.00 0.56 H new ATOM 0 HG21 THR A 61 -11.029 4.993 3.416 1.00 0.66 H new ATOM 0 HG22 THR A 61 -10.230 3.403 3.389 1.00 0.66 H new ATOM 0 HG23 THR A 61 -11.821 3.613 2.618 1.00 0.66 H new ATOM 911 N ASP A 62 -14.187 1.352 3.774 1.00 0.41 N ATOM 912 CA ASP A 62 -14.996 0.869 2.620 1.00 0.40 C ATOM 913 C ASP A 62 -14.237 -0.252 1.915 1.00 0.41 C ATOM 914 O ASP A 62 -13.342 -0.851 2.477 1.00 0.50 O ATOM 915 CB ASP A 62 -15.127 2.087 1.702 1.00 0.37 C ATOM 916 CG ASP A 62 -16.457 2.790 1.967 1.00 0.41 C ATOM 917 OD1 ASP A 62 -16.605 3.354 3.038 1.00 0.43 O ATOM 918 OD2 ASP A 62 -17.306 2.758 1.091 1.00 0.55 O ATOM 0 H ASP A 62 -14.706 1.503 4.639 1.00 0.41 H new ATOM 0 HA ASP A 62 -15.970 0.476 2.913 1.00 0.40 H new ATOM 0 HB2 ASP A 62 -14.300 2.775 1.875 1.00 0.37 H new ATOM 0 HB3 ASP A 62 -15.070 1.776 0.659 1.00 0.37 H new ATOM 923 N ASN A 63 -14.554 -0.528 0.685 1.00 0.43 N ATOM 924 CA ASN A 63 -13.810 -1.586 -0.035 1.00 0.46 C ATOM 925 C ASN A 63 -12.716 -0.916 -0.869 1.00 0.46 C ATOM 926 O ASN A 63 -12.468 -1.263 -2.008 1.00 0.52 O ATOM 927 CB ASN A 63 -14.851 -2.296 -0.888 1.00 0.47 C ATOM 928 CG ASN A 63 -15.589 -1.292 -1.769 1.00 0.49 C ATOM 929 OD1 ASN A 63 -15.794 -0.161 -1.379 1.00 0.53 O ATOM 930 ND2 ASN A 63 -16.003 -1.663 -2.947 1.00 0.56 N ATOM 0 H ASN A 63 -15.292 -0.069 0.151 1.00 0.43 H new ATOM 0 HA ASN A 63 -13.314 -2.307 0.616 1.00 0.46 H new ATOM 0 HB2 ASN A 63 -14.368 -3.050 -1.510 1.00 0.47 H new ATOM 0 HB3 ASN A 63 -15.561 -2.818 -0.247 1.00 0.47 H new ATOM 0 HD21 ASN A 63 -16.501 -1.003 -3.544 1.00 0.56 H new ATOM 0 HD22 ASN A 63 -15.829 -2.614 -3.272 1.00 0.56 H new ATOM 937 N CYS A 64 -12.071 0.058 -0.271 1.00 0.40 N ATOM 938 CA CYS A 64 -10.972 0.823 -0.939 1.00 0.40 C ATOM 939 C CYS A 64 -11.530 1.957 -1.812 1.00 0.44 C ATOM 940 O CYS A 64 -11.043 3.069 -1.769 1.00 0.50 O ATOM 941 CB CYS A 64 -10.182 -0.193 -1.765 1.00 0.39 C ATOM 942 SG CYS A 64 -8.415 0.166 -1.604 1.00 0.35 S ATOM 0 H CYS A 64 -12.269 0.362 0.682 1.00 0.40 H new ATOM 0 HA CYS A 64 -10.328 1.308 -0.205 1.00 0.40 H new ATOM 0 HB2 CYS A 64 -10.394 -1.205 -1.420 1.00 0.39 H new ATOM 0 HB3 CYS A 64 -10.483 -0.143 -2.811 1.00 0.39 H new ATOM 947 N ASN A 65 -12.548 1.707 -2.593 1.00 0.46 N ATOM 948 CA ASN A 65 -13.106 2.808 -3.437 1.00 0.50 C ATOM 949 C ASN A 65 -14.523 2.469 -3.921 1.00 0.53 C ATOM 950 O ASN A 65 -14.894 1.317 -4.035 1.00 0.60 O ATOM 951 CB ASN A 65 -12.146 2.928 -4.621 1.00 0.56 C ATOM 952 CG ASN A 65 -12.239 4.338 -5.209 1.00 0.58 C ATOM 953 OD1 ASN A 65 -13.272 4.973 -5.130 1.00 0.69 O ATOM 954 ND2 ASN A 65 -11.195 4.861 -5.796 1.00 0.63 N ATOM 0 H ASN A 65 -13.012 0.803 -2.684 1.00 0.46 H new ATOM 0 HA ASN A 65 -13.189 3.741 -2.879 1.00 0.50 H new ATOM 0 HB2 ASN A 65 -11.125 2.723 -4.298 1.00 0.56 H new ATOM 0 HB3 ASN A 65 -12.394 2.188 -5.381 1.00 0.56 H new ATOM 0 HD21 ASN A 65 -11.248 5.801 -6.187 1.00 0.63 H new ATOM 0 HD22 ASN A 65 -10.327 4.329 -5.863 1.00 0.63 H new ATOM 961 N HIS A 66 -15.311 3.472 -4.218 1.00 0.59 N ATOM 962 CA HIS A 66 -16.687 3.231 -4.706 1.00 0.69 C ATOM 963 C HIS A 66 -17.225 4.482 -5.408 1.00 0.79 C ATOM 964 O HIS A 66 -18.115 5.110 -4.857 1.00 0.92 O ATOM 965 CB HIS A 66 -17.518 2.905 -3.465 1.00 0.80 C ATOM 966 CG HIS A 66 -18.820 2.270 -3.881 1.00 1.04 C ATOM 967 ND1 HIS A 66 -19.454 2.583 -5.074 1.00 1.17 N ATOM 968 CD2 HIS A 66 -19.619 1.337 -3.268 1.00 1.32 C ATOM 969 CE1 HIS A 66 -20.582 1.851 -5.140 1.00 1.42 C ATOM 970 NE2 HIS A 66 -20.730 1.073 -4.065 1.00 1.52 N ATOM 971 OXT HIS A 66 -16.737 4.789 -6.484 1.00 0.89 O ATOM 0 H HIS A 66 -15.049 4.455 -4.140 1.00 0.59 H new ATOM 0 HA HIS A 66 -16.724 2.418 -5.431 1.00 0.69 H new ATOM 0 HB2 HIS A 66 -16.965 2.230 -2.812 1.00 0.80 H new ATOM 0 HB3 HIS A 66 -17.711 3.814 -2.895 1.00 0.80 H new ATOM 0 HD2 HIS A 66 -19.417 0.877 -2.312 1.00 1.32 H new ATOM 0 HE1 HIS A 66 -21.282 1.888 -5.962 1.00 1.42 H new ATOM 0 HE2 HIS A 66 -21.493 0.425 -3.870 1.00 1.52 H new ATOM 980 N ARG B 1 17.362 8.110 -3.334 1.00 0.92 N ATOM 981 CA ARG B 1 17.342 6.980 -4.315 1.00 0.79 C ATOM 982 C ARG B 1 15.932 6.791 -4.883 1.00 0.78 C ATOM 983 O ARG B 1 15.105 7.680 -4.832 1.00 0.82 O ATOM 984 CB ARG B 1 17.757 5.739 -3.521 1.00 0.83 C ATOM 985 CG ARG B 1 19.055 6.014 -2.763 1.00 0.93 C ATOM 986 CD ARG B 1 19.687 4.684 -2.347 1.00 1.04 C ATOM 987 NE ARG B 1 20.632 5.033 -1.250 1.00 1.27 N ATOM 988 CZ ARG B 1 21.900 5.197 -1.510 1.00 1.44 C ATOM 989 NH1 ARG B 1 22.264 5.898 -2.547 1.00 1.56 N ATOM 990 NH2 ARG B 1 22.804 4.663 -0.734 1.00 1.67 N ATOM 0 H1 ARG B 1 18.305 8.548 -3.328 1.00 0.92 H new ATOM 0 H2 ARG B 1 16.653 8.820 -3.607 1.00 0.92 H new ATOM 0 H3 ARG B 1 17.142 7.749 -2.384 1.00 0.92 H new ATOM 0 HA ARG B 1 18.008 7.168 -5.157 1.00 0.79 H new ATOM 0 HB2 ARG B 1 16.968 5.465 -2.821 1.00 0.83 H new ATOM 0 HB3 ARG B 1 17.892 4.894 -4.196 1.00 0.83 H new ATOM 0 HG2 ARG B 1 19.745 6.577 -3.392 1.00 0.93 H new ATOM 0 HG3 ARG B 1 18.854 6.625 -1.883 1.00 0.93 H new ATOM 0 HD2 ARG B 1 18.931 3.977 -2.006 1.00 1.04 H new ATOM 0 HD3 ARG B 1 20.208 4.216 -3.182 1.00 1.04 H new ATOM 0 HE ARG B 1 20.288 5.144 -0.296 1.00 1.27 H new ATOM 0 HH11 ARG B 1 21.558 6.317 -3.153 1.00 1.56 H new ATOM 0 HH12 ARG B 1 23.255 6.028 -2.753 1.00 1.56 H new ATOM 0 HH21 ARG B 1 22.520 4.116 0.078 1.00 1.67 H new ATOM 0 HH22 ARG B 1 23.794 4.793 -0.940 1.00 1.67 H new ATOM 1006 N THR B 2 15.652 5.632 -5.417 1.00 0.75 N ATOM 1007 CA THR B 2 14.295 5.375 -5.982 1.00 0.76 C ATOM 1008 C THR B 2 13.833 3.960 -5.640 1.00 0.74 C ATOM 1009 O THR B 2 14.538 3.216 -4.997 1.00 0.80 O ATOM 1010 CB THR B 2 14.438 5.605 -7.478 1.00 0.73 C ATOM 1011 OG1 THR B 2 15.694 5.111 -7.927 1.00 0.78 O ATOM 1012 CG2 THR B 2 14.333 7.114 -7.714 1.00 0.71 C ATOM 0 H THR B 2 16.305 4.851 -5.486 1.00 0.75 H new ATOM 0 HA THR B 2 13.531 6.032 -5.566 1.00 0.76 H new ATOM 0 HB THR B 2 13.661 5.079 -8.033 1.00 0.73 H new ATOM 0 HG1 THR B 2 15.779 5.261 -8.892 1.00 0.78 H new ATOM 0 HG21 THR B 2 14.431 7.323 -8.779 1.00 0.71 H new ATOM 0 HG22 THR B 2 13.365 7.471 -7.361 1.00 0.71 H new ATOM 0 HG23 THR B 2 15.128 7.624 -7.170 1.00 0.71 H new ATOM 1020 N CYS B 3 12.645 3.600 -6.045 1.00 0.68 N ATOM 1021 CA CYS B 3 12.111 2.239 -5.714 1.00 0.67 C ATOM 1022 C CYS B 3 11.870 1.431 -6.980 1.00 0.68 C ATOM 1023 O CYS B 3 11.795 1.971 -8.064 1.00 0.79 O ATOM 1024 CB CYS B 3 10.774 2.498 -5.013 1.00 0.68 C ATOM 1025 SG CYS B 3 11.057 3.151 -3.348 1.00 0.69 S ATOM 0 H CYS B 3 12.017 4.188 -6.592 1.00 0.68 H new ATOM 0 HA CYS B 3 12.810 1.674 -5.097 1.00 0.67 H new ATOM 0 HB2 CYS B 3 10.182 3.206 -5.593 1.00 0.68 H new ATOM 0 HB3 CYS B 3 10.200 1.573 -4.956 1.00 0.68 H new ATOM 1129 N PRO B 11 10.258 2.402 -10.850 1.00 0.74 N ATOM 1130 CA PRO B 11 9.685 3.766 -10.799 1.00 0.78 C ATOM 1131 C PRO B 11 10.803 4.754 -10.474 1.00 0.76 C ATOM 1132 O PRO B 11 11.891 4.647 -11.006 1.00 0.82 O ATOM 1133 CB PRO B 11 8.640 3.671 -9.681 1.00 0.81 C ATOM 1134 CG PRO B 11 9.125 2.555 -8.828 1.00 0.81 C ATOM 1135 CD PRO B 11 9.740 1.565 -9.773 1.00 0.75 C ATOM 0 HA PRO B 11 9.236 4.111 -11.730 1.00 0.78 H new ATOM 0 HB2 PRO B 11 8.572 4.602 -9.119 1.00 0.81 H new ATOM 0 HB3 PRO B 11 7.647 3.466 -10.080 1.00 0.81 H new ATOM 0 HG2 PRO B 11 9.855 2.907 -8.099 1.00 0.81 H new ATOM 0 HG3 PRO B 11 8.306 2.105 -8.267 1.00 0.81 H new ATOM 0 HD2 PRO B 11 10.533 0.991 -9.294 1.00 0.75 H new ATOM 0 HD3 PRO B 11 9.005 0.849 -10.139 1.00 0.75 H new ATOM 1143 N GLN B 12 10.582 5.711 -9.619 1.00 0.74 N ATOM 1144 CA GLN B 12 11.679 6.651 -9.322 1.00 0.72 C ATOM 1145 C GLN B 12 11.379 7.487 -8.074 1.00 0.68 C ATOM 1146 O GLN B 12 10.778 8.540 -8.163 1.00 0.71 O ATOM 1147 CB GLN B 12 11.768 7.538 -10.562 1.00 0.76 C ATOM 1148 CG GLN B 12 10.444 8.273 -10.750 1.00 0.86 C ATOM 1149 CD GLN B 12 10.689 9.778 -10.701 1.00 0.92 C ATOM 1150 OE1 GLN B 12 10.749 10.363 -9.637 1.00 0.97 O ATOM 1151 NE2 GLN B 12 10.837 10.436 -11.816 1.00 1.03 N ATOM 0 H GLN B 12 9.705 5.876 -9.125 1.00 0.74 H new ATOM 0 HA GLN B 12 12.614 6.132 -9.111 1.00 0.72 H new ATOM 0 HB2 GLN B 12 12.583 8.254 -10.454 1.00 0.76 H new ATOM 0 HB3 GLN B 12 11.990 6.933 -11.441 1.00 0.76 H new ATOM 0 HG2 GLN B 12 9.995 7.997 -11.704 1.00 0.86 H new ATOM 0 HG3 GLN B 12 9.740 7.982 -9.970 1.00 0.86 H new ATOM 0 HE21 GLN B 12 10.787 9.945 -12.709 1.00 1.03 H new ATOM 0 HE22 GLN B 12 11.003 11.442 -11.796 1.00 1.03 H new ATOM 1160 N THR B 13 11.812 7.064 -6.921 1.00 0.66 N ATOM 1161 CA THR B 13 11.563 7.885 -5.713 1.00 0.63 C ATOM 1162 C THR B 13 12.458 9.113 -5.751 1.00 0.61 C ATOM 1163 O THR B 13 12.604 9.752 -6.774 1.00 0.60 O ATOM 1164 CB THR B 13 11.950 7.013 -4.541 1.00 0.65 C ATOM 1165 OG1 THR B 13 11.706 5.653 -4.868 1.00 0.70 O ATOM 1166 CG2 THR B 13 11.155 7.404 -3.293 1.00 0.71 C ATOM 0 H THR B 13 12.322 6.194 -6.766 1.00 0.66 H new ATOM 0 HA THR B 13 10.527 8.216 -5.647 1.00 0.63 H new ATOM 0 HB THR B 13 13.010 7.153 -4.328 1.00 0.65 H new ATOM 0 HG1 THR B 13 11.386 5.178 -4.073 1.00 0.70 H new ATOM 0 HG21 THR B 13 11.448 6.765 -2.460 1.00 0.71 H new ATOM 0 HG22 THR B 13 11.361 8.445 -3.042 1.00 0.71 H new ATOM 0 HG23 THR B 13 10.089 7.282 -3.487 1.00 0.71 H new ATOM 1174 N CYS B 14 13.087 9.445 -4.654 1.00 0.64 N ATOM 1175 CA CYS B 14 13.981 10.613 -4.678 1.00 0.68 C ATOM 1176 C CYS B 14 14.808 10.694 -3.389 1.00 0.70 C ATOM 1177 O CYS B 14 14.330 10.356 -2.325 1.00 0.69 O ATOM 1178 CB CYS B 14 13.046 11.824 -4.837 1.00 0.65 C ATOM 1179 SG CYS B 14 12.453 12.397 -3.213 1.00 0.51 S ATOM 0 H CYS B 14 13.015 8.959 -3.760 1.00 0.64 H new ATOM 0 HA CYS B 14 14.708 10.563 -5.488 1.00 0.68 H new ATOM 0 HB2 CYS B 14 13.573 12.633 -5.343 1.00 0.65 H new ATOM 0 HB3 CYS B 14 12.197 11.554 -5.465 1.00 0.65 H new ATOM 1184 N PRO B 15 16.024 11.151 -3.530 1.00 0.76 N ATOM 1185 CA PRO B 15 16.914 11.288 -2.358 1.00 0.80 C ATOM 1186 C PRO B 15 16.468 12.463 -1.489 1.00 0.78 C ATOM 1187 O PRO B 15 16.121 13.523 -1.976 1.00 0.87 O ATOM 1188 CB PRO B 15 18.291 11.525 -2.973 1.00 0.92 C ATOM 1189 CG PRO B 15 18.023 12.088 -4.332 1.00 0.96 C ATOM 1190 CD PRO B 15 16.672 11.579 -4.774 1.00 0.85 C ATOM 0 HA PRO B 15 16.906 10.418 -1.702 1.00 0.80 H new ATOM 0 HB2 PRO B 15 18.878 12.217 -2.369 1.00 0.92 H new ATOM 0 HB3 PRO B 15 18.859 10.597 -3.036 1.00 0.92 H new ATOM 0 HG2 PRO B 15 18.032 13.178 -4.305 1.00 0.96 H new ATOM 0 HG3 PRO B 15 18.798 11.780 -5.034 1.00 0.96 H new ATOM 0 HD2 PRO B 15 16.097 12.358 -5.275 1.00 0.85 H new ATOM 0 HD3 PRO B 15 16.769 10.752 -5.478 1.00 0.85 H new ATOM 1198 N ASN B 16 16.466 12.271 -0.206 1.00 0.70 N ATOM 1199 CA ASN B 16 16.032 13.347 0.728 1.00 0.66 C ATOM 1200 C ASN B 16 16.395 12.933 2.154 1.00 0.61 C ATOM 1201 O ASN B 16 16.779 13.744 2.974 1.00 0.66 O ATOM 1202 CB ASN B 16 14.511 13.431 0.558 1.00 0.76 C ATOM 1203 CG ASN B 16 14.122 14.776 -0.060 1.00 0.86 C ATOM 1204 OD1 ASN B 16 14.827 15.300 -0.900 1.00 0.97 O ATOM 1205 ND2 ASN B 16 13.015 15.359 0.321 1.00 0.93 N ATOM 0 H ASN B 16 16.750 11.402 0.246 1.00 0.70 H new ATOM 0 HA ASN B 16 16.507 14.308 0.528 1.00 0.66 H new ATOM 0 HB2 ASN B 16 14.163 12.616 -0.077 1.00 0.76 H new ATOM 0 HB3 ASN B 16 14.022 13.312 1.525 1.00 0.76 H new ATOM 0 HD21 ASN B 16 12.743 16.254 -0.087 1.00 0.93 H new ATOM 0 HD22 ASN B 16 12.423 14.919 1.026 1.00 0.93 H new ATOM 1212 N GLY B 17 16.279 11.665 2.450 1.00 0.54 N ATOM 1213 CA GLY B 17 16.618 11.175 3.814 1.00 0.55 C ATOM 1214 C GLY B 17 16.661 9.644 3.810 1.00 0.47 C ATOM 1215 O GLY B 17 17.467 9.038 3.129 1.00 0.52 O ATOM 0 H GLY B 17 15.962 10.946 1.800 1.00 0.54 H new ATOM 0 HA2 GLY B 17 17.582 11.576 4.127 1.00 0.55 H new ATOM 0 HA3 GLY B 17 15.878 11.527 4.533 1.00 0.55 H new ATOM 1219 N GLN B 18 15.801 9.013 4.565 1.00 0.41 N ATOM 1220 CA GLN B 18 15.789 7.519 4.611 1.00 0.38 C ATOM 1221 C GLN B 18 15.461 6.942 3.227 1.00 0.34 C ATOM 1222 O GLN B 18 15.651 5.769 2.975 1.00 0.43 O ATOM 1223 CB GLN B 18 14.693 7.159 5.621 1.00 0.37 C ATOM 1224 CG GLN B 18 14.771 5.666 5.959 1.00 0.45 C ATOM 1225 CD GLN B 18 14.428 5.458 7.438 1.00 0.76 C ATOM 1226 OE1 GLN B 18 15.251 4.999 8.203 1.00 0.93 O ATOM 1227 NE2 GLN B 18 13.242 5.782 7.877 1.00 0.97 N ATOM 0 H GLN B 18 15.104 9.468 5.154 1.00 0.41 H new ATOM 0 HA GLN B 18 16.757 7.110 4.899 1.00 0.38 H new ATOM 0 HB2 GLN B 18 14.811 7.753 6.527 1.00 0.37 H new ATOM 0 HB3 GLN B 18 13.713 7.397 5.209 1.00 0.37 H new ATOM 0 HG2 GLN B 18 14.079 5.104 5.332 1.00 0.45 H new ATOM 0 HG3 GLN B 18 15.771 5.287 5.750 1.00 0.45 H new ATOM 0 HE21 GLN B 18 12.549 6.168 7.236 1.00 0.97 H new ATOM 0 HE22 GLN B 18 13.009 5.649 8.861 1.00 0.97 H new ATOM 1236 N ASP B 19 14.969 7.759 2.330 1.00 0.32 N ATOM 1237 CA ASP B 19 14.627 7.264 0.960 1.00 0.38 C ATOM 1238 C ASP B 19 13.572 6.153 1.036 1.00 0.36 C ATOM 1239 O ASP B 19 13.835 5.005 0.738 1.00 0.42 O ATOM 1240 CB ASP B 19 15.945 6.740 0.381 1.00 0.44 C ATOM 1241 CG ASP B 19 16.951 7.891 0.292 1.00 0.40 C ATOM 1242 OD1 ASP B 19 16.517 9.033 0.270 1.00 0.33 O ATOM 1243 OD2 ASP B 19 18.139 7.612 0.245 1.00 0.61 O ATOM 0 H ASP B 19 14.789 8.751 2.487 1.00 0.32 H new ATOM 0 HA ASP B 19 14.200 8.048 0.334 1.00 0.38 H new ATOM 0 HB2 ASP B 19 16.341 5.943 1.011 1.00 0.44 H new ATOM 0 HB3 ASP B 19 15.777 6.311 -0.607 1.00 0.44 H new ATOM 1248 N ILE B 20 12.374 6.495 1.430 1.00 0.36 N ATOM 1249 CA ILE B 20 11.290 5.474 1.526 1.00 0.34 C ATOM 1250 C ILE B 20 10.128 5.849 0.599 1.00 0.40 C ATOM 1251 O ILE B 20 9.792 7.006 0.443 1.00 0.48 O ATOM 1252 CB ILE B 20 10.840 5.506 2.986 1.00 0.43 C ATOM 1253 CG1 ILE B 20 12.001 5.079 3.889 1.00 0.57 C ATOM 1254 CG2 ILE B 20 9.661 4.548 3.179 1.00 0.58 C ATOM 1255 CD1 ILE B 20 11.506 4.973 5.333 1.00 0.59 C ATOM 0 H ILE B 20 12.099 7.442 1.691 1.00 0.36 H new ATOM 0 HA ILE B 20 11.630 4.483 1.227 1.00 0.34 H new ATOM 0 HB ILE B 20 10.531 6.518 3.248 1.00 0.43 H new ATOM 0 HG12 ILE B 20 12.401 4.120 3.558 1.00 0.57 H new ATOM 0 HG13 ILE B 20 12.813 5.803 3.823 1.00 0.57 H new ATOM 0 HG21 ILE B 20 9.340 4.571 4.220 1.00 0.58 H new ATOM 0 HG22 ILE B 20 8.834 4.854 2.538 1.00 0.58 H new ATOM 0 HG23 ILE B 20 9.968 3.536 2.916 1.00 0.58 H new ATOM 0 HD11 ILE B 20 12.330 4.669 5.979 1.00 0.59 H new ATOM 0 HD12 ILE B 20 11.127 5.941 5.660 1.00 0.59 H new ATOM 0 HD13 ILE B 20 10.708 4.233 5.391 1.00 0.59 H new ATOM 1267 N CYS B 21 9.514 4.876 -0.015 1.00 0.38 N ATOM 1268 CA CYS B 21 8.373 5.172 -0.930 1.00 0.42 C ATOM 1269 C CYS B 21 7.051 4.980 -0.192 1.00 0.43 C ATOM 1270 O CYS B 21 6.907 4.074 0.604 1.00 0.55 O ATOM 1271 CB CYS B 21 8.502 4.152 -2.058 1.00 0.48 C ATOM 1272 SG CYS B 21 9.769 4.701 -3.223 1.00 0.59 S ATOM 0 H CYS B 21 9.752 3.888 0.076 1.00 0.38 H new ATOM 0 HA CYS B 21 8.391 6.197 -1.300 1.00 0.42 H new ATOM 0 HB2 CYS B 21 8.765 3.175 -1.652 1.00 0.48 H new ATOM 0 HB3 CYS B 21 7.547 4.037 -2.570 1.00 0.48 H new ATOM 1277 N PHE B 22 6.077 5.809 -0.449 1.00 0.36 N ATOM 1278 CA PHE B 22 4.786 5.634 0.241 1.00 0.36 C ATOM 1279 C PHE B 22 3.644 6.260 -0.566 1.00 0.34 C ATOM 1280 O PHE B 22 3.858 7.057 -1.459 1.00 0.38 O ATOM 1281 CB PHE B 22 4.951 6.309 1.612 1.00 0.35 C ATOM 1282 CG PHE B 22 4.496 7.750 1.558 1.00 0.35 C ATOM 1283 CD1 PHE B 22 5.005 8.619 0.586 1.00 0.42 C ATOM 1284 CD2 PHE B 22 3.556 8.213 2.486 1.00 0.42 C ATOM 1285 CE1 PHE B 22 4.575 9.948 0.542 1.00 0.45 C ATOM 1286 CE2 PHE B 22 3.126 9.541 2.444 1.00 0.48 C ATOM 1287 CZ PHE B 22 3.634 10.411 1.472 1.00 0.45 C ATOM 0 H PHE B 22 6.126 6.591 -1.102 1.00 0.36 H new ATOM 0 HA PHE B 22 4.527 4.581 0.353 1.00 0.36 H new ATOM 0 HB2 PHE B 22 4.373 5.768 2.361 1.00 0.35 H new ATOM 0 HB3 PHE B 22 5.995 6.264 1.922 1.00 0.35 H new ATOM 0 HD1 PHE B 22 5.730 8.262 -0.130 1.00 0.42 H new ATOM 0 HD2 PHE B 22 3.163 7.542 3.236 1.00 0.42 H new ATOM 0 HE1 PHE B 22 4.968 10.618 -0.208 1.00 0.45 H new ATOM 0 HE2 PHE B 22 2.401 9.897 3.161 1.00 0.48 H new ATOM 0 HZ PHE B 22 3.301 11.438 1.439 1.00 0.45 H new ATOM 1297 N LEU B 23 2.434 5.908 -0.242 1.00 0.33 N ATOM 1298 CA LEU B 23 1.266 6.480 -0.965 1.00 0.32 C ATOM 1299 C LEU B 23 0.253 6.991 0.043 1.00 0.29 C ATOM 1300 O LEU B 23 -0.127 6.295 0.964 1.00 0.35 O ATOM 1301 CB LEU B 23 0.667 5.321 -1.744 1.00 0.39 C ATOM 1302 CG LEU B 23 -0.210 5.853 -2.876 1.00 0.44 C ATOM 1303 CD1 LEU B 23 0.161 5.142 -4.178 1.00 0.76 C ATOM 1304 CD2 LEU B 23 -1.681 5.582 -2.548 1.00 0.50 C ATOM 0 H LEU B 23 2.202 5.245 0.497 1.00 0.33 H new ATOM 0 HA LEU B 23 1.549 7.307 -1.616 1.00 0.32 H new ATOM 0 HB2 LEU B 23 1.462 4.696 -2.151 1.00 0.39 H new ATOM 0 HB3 LEU B 23 0.075 4.692 -1.079 1.00 0.39 H new ATOM 0 HG LEU B 23 -0.054 6.926 -2.988 1.00 0.44 H new ATOM 0 HD11 LEU B 23 -0.463 5.519 -4.989 1.00 0.76 H new ATOM 0 HD12 LEU B 23 1.209 5.330 -4.409 1.00 0.76 H new ATOM 0 HD13 LEU B 23 0.001 4.070 -4.065 1.00 0.76 H new ATOM 0 HD21 LEU B 23 -2.309 5.961 -3.354 1.00 0.50 H new ATOM 0 HD22 LEU B 23 -1.838 4.509 -2.439 1.00 0.50 H new ATOM 0 HD23 LEU B 23 -1.944 6.083 -1.617 1.00 0.50 H new ATOM 1316 N LYS B 24 -0.197 8.191 -0.113 1.00 0.28 N ATOM 1317 CA LYS B 24 -1.188 8.711 0.852 1.00 0.26 C ATOM 1318 C LYS B 24 -2.459 9.124 0.118 1.00 0.26 C ATOM 1319 O LYS B 24 -2.425 9.894 -0.820 1.00 0.33 O ATOM 1320 CB LYS B 24 -0.505 9.908 1.504 1.00 0.27 C ATOM 1321 CG LYS B 24 -1.333 10.375 2.700 1.00 0.31 C ATOM 1322 CD LYS B 24 -0.393 10.823 3.819 1.00 0.34 C ATOM 1323 CE LYS B 24 -1.103 11.849 4.703 1.00 0.35 C ATOM 1324 NZ LYS B 24 -0.860 13.159 4.037 1.00 0.40 N ATOM 0 H LYS B 24 0.074 8.832 -0.859 1.00 0.28 H new ATOM 0 HA LYS B 24 -1.487 7.971 1.594 1.00 0.26 H new ATOM 0 HB2 LYS B 24 0.500 9.636 1.827 1.00 0.27 H new ATOM 0 HB3 LYS B 24 -0.399 10.718 0.782 1.00 0.27 H new ATOM 0 HG2 LYS B 24 -1.986 11.197 2.407 1.00 0.31 H new ATOM 0 HG3 LYS B 24 -1.975 9.567 3.050 1.00 0.31 H new ATOM 0 HD2 LYS B 24 -0.086 9.964 4.416 1.00 0.34 H new ATOM 0 HD3 LYS B 24 0.513 11.257 3.395 1.00 0.34 H new ATOM 0 HE2 LYS B 24 -2.169 11.636 4.778 1.00 0.35 H new ATOM 0 HE3 LYS B 24 -0.704 11.841 5.717 1.00 0.35 H new ATOM 0 HZ1 LYS B 24 -1.317 13.917 4.584 1.00 0.40 H new ATOM 0 HZ2 LYS B 24 0.163 13.338 3.985 1.00 0.40 H new ATOM 0 HZ3 LYS B 24 -1.257 13.139 3.076 1.00 0.40 H new ATOM 1338 N ALA B 25 -3.576 8.598 0.536 1.00 0.23 N ATOM 1339 CA ALA B 25 -4.871 8.936 -0.126 1.00 0.23 C ATOM 1340 C ALA B 25 -5.887 9.398 0.921 1.00 0.20 C ATOM 1341 O ALA B 25 -5.940 8.885 2.020 1.00 0.23 O ATOM 1342 CB ALA B 25 -5.326 7.624 -0.774 1.00 0.28 C ATOM 0 H ALA B 25 -3.650 7.943 1.314 1.00 0.23 H new ATOM 0 HA ALA B 25 -4.774 9.742 -0.853 1.00 0.23 H new ATOM 0 HB1 ALA B 25 -6.276 7.781 -1.286 1.00 0.28 H new ATOM 0 HB2 ALA B 25 -4.576 7.294 -1.493 1.00 0.28 H new ATOM 0 HB3 ALA B 25 -5.450 6.862 -0.005 1.00 0.28 H new ATOM 1348 N GLN B 26 -6.695 10.365 0.587 1.00 0.23 N ATOM 1349 CA GLN B 26 -7.705 10.860 1.564 1.00 0.23 C ATOM 1350 C GLN B 26 -8.818 11.602 0.826 1.00 0.27 C ATOM 1351 O GLN B 26 -8.633 12.088 -0.273 1.00 0.31 O ATOM 1352 CB GLN B 26 -6.935 11.811 2.482 1.00 0.23 C ATOM 1353 CG GLN B 26 -7.820 12.208 3.666 1.00 0.28 C ATOM 1354 CD GLN B 26 -7.702 11.156 4.769 1.00 0.37 C ATOM 1355 OE1 GLN B 26 -8.569 10.320 4.921 1.00 0.41 O ATOM 1356 NE2 GLN B 26 -6.656 11.163 5.550 1.00 0.56 N ATOM 0 H GLN B 26 -6.700 10.834 -0.319 1.00 0.23 H new ATOM 0 HA GLN B 26 -8.176 10.053 2.125 1.00 0.23 H new ATOM 0 HB2 GLN B 26 -6.025 11.330 2.840 1.00 0.23 H new ATOM 0 HB3 GLN B 26 -6.630 12.699 1.929 1.00 0.23 H new ATOM 0 HG2 GLN B 26 -7.519 13.184 4.047 1.00 0.28 H new ATOM 0 HG3 GLN B 26 -8.857 12.297 3.344 1.00 0.28 H new ATOM 0 HE21 GLN B 26 -5.928 11.866 5.421 1.00 0.56 H new ATOM 0 HE22 GLN B 26 -6.567 10.466 6.289 1.00 0.56 H new ATOM 1365 N CYS B 27 -9.977 11.688 1.413 1.00 0.33 N ATOM 1366 CA CYS B 27 -11.104 12.392 0.738 1.00 0.39 C ATOM 1367 C CYS B 27 -10.753 13.860 0.481 1.00 0.50 C ATOM 1368 O CYS B 27 -11.021 14.728 1.287 1.00 0.58 O ATOM 1369 CB CYS B 27 -12.273 12.268 1.713 1.00 0.41 C ATOM 1370 SG CYS B 27 -13.752 11.756 0.810 1.00 0.51 S ATOM 0 H CYS B 27 -10.194 11.302 2.332 1.00 0.33 H new ATOM 0 HA CYS B 27 -11.336 11.964 -0.237 1.00 0.39 H new ATOM 0 HB2 CYS B 27 -12.038 11.541 2.490 1.00 0.41 H new ATOM 0 HB3 CYS B 27 -12.449 13.221 2.211 1.00 0.41 H new ATOM 1375 N ASP B 28 -10.162 14.144 -0.651 1.00 0.60 N ATOM 1376 CA ASP B 28 -9.802 15.555 -0.979 1.00 0.74 C ATOM 1377 C ASP B 28 -10.165 15.851 -2.438 1.00 0.81 C ATOM 1378 O ASP B 28 -10.453 14.955 -3.203 1.00 0.88 O ATOM 1379 CB ASP B 28 -8.288 15.631 -0.777 1.00 0.79 C ATOM 1380 CG ASP B 28 -7.595 14.800 -1.855 1.00 0.95 C ATOM 1381 OD1 ASP B 28 -8.178 13.819 -2.282 1.00 1.03 O ATOM 1382 OD2 ASP B 28 -6.494 15.158 -2.237 1.00 1.04 O ATOM 0 H ASP B 28 -9.913 13.458 -1.363 1.00 0.60 H new ATOM 0 HA ASP B 28 -10.330 16.280 -0.360 1.00 0.74 H new ATOM 0 HB2 ASP B 28 -7.954 16.667 -0.829 1.00 0.79 H new ATOM 0 HB3 ASP B 28 -8.022 15.259 0.213 1.00 0.79 H new ATOM 1387 N LYS B 29 -10.154 17.094 -2.834 1.00 0.80 N ATOM 1388 CA LYS B 29 -10.504 17.421 -4.248 1.00 0.86 C ATOM 1389 C LYS B 29 -11.961 17.056 -4.532 1.00 0.76 C ATOM 1390 O LYS B 29 -12.250 16.213 -5.356 1.00 0.83 O ATOM 1391 CB LYS B 29 -9.561 16.563 -5.092 1.00 0.98 C ATOM 1392 CG LYS B 29 -9.404 17.175 -6.485 1.00 1.05 C ATOM 1393 CD LYS B 29 -7.914 17.322 -6.810 1.00 1.18 C ATOM 1394 CE LYS B 29 -7.738 18.230 -8.032 1.00 1.24 C ATOM 1395 NZ LYS B 29 -6.351 18.761 -7.911 1.00 1.24 N ATOM 0 H LYS B 29 -9.920 17.893 -2.245 1.00 0.80 H new ATOM 0 HA LYS B 29 -10.398 18.484 -4.466 1.00 0.86 H new ATOM 0 HB2 LYS B 29 -8.588 16.491 -4.606 1.00 0.98 H new ATOM 0 HB3 LYS B 29 -9.953 15.549 -5.173 1.00 0.98 H new ATOM 0 HG2 LYS B 29 -9.889 16.543 -7.229 1.00 1.05 H new ATOM 0 HG3 LYS B 29 -9.894 18.148 -6.524 1.00 1.05 H new ATOM 0 HD2 LYS B 29 -7.385 17.742 -5.954 1.00 1.18 H new ATOM 0 HD3 LYS B 29 -7.477 16.343 -7.006 1.00 1.18 H new ATOM 0 HE2 LYS B 29 -7.870 17.675 -8.961 1.00 1.24 H new ATOM 0 HE3 LYS B 29 -8.472 19.036 -8.036 1.00 1.24 H new ATOM 0 HZ1 LYS B 29 -6.150 19.394 -8.712 1.00 1.24 H new ATOM 0 HZ2 LYS B 29 -6.258 19.290 -7.020 1.00 1.24 H new ATOM 0 HZ3 LYS B 29 -5.675 17.971 -7.916 1.00 1.24 H new ATOM 1409 N PHE B 30 -12.872 17.690 -3.849 1.00 0.67 N ATOM 1410 CA PHE B 30 -14.324 17.400 -4.054 1.00 0.56 C ATOM 1411 C PHE B 30 -14.684 16.030 -3.468 1.00 0.49 C ATOM 1412 O PHE B 30 -15.551 15.347 -3.974 1.00 0.51 O ATOM 1413 CB PHE B 30 -14.550 17.421 -5.570 1.00 0.56 C ATOM 1414 CG PHE B 30 -13.868 18.630 -6.166 1.00 0.62 C ATOM 1415 CD1 PHE B 30 -14.032 19.891 -5.579 1.00 0.75 C ATOM 1416 CD2 PHE B 30 -13.067 18.487 -7.306 1.00 0.69 C ATOM 1417 CE1 PHE B 30 -13.396 21.008 -6.131 1.00 0.87 C ATOM 1418 CE2 PHE B 30 -12.432 19.604 -7.858 1.00 0.78 C ATOM 1419 CZ PHE B 30 -12.596 20.863 -7.273 1.00 0.86 C ATOM 0 H PHE B 30 -12.673 18.405 -3.149 1.00 0.67 H new ATOM 0 HA PHE B 30 -14.954 18.134 -3.552 1.00 0.56 H new ATOM 0 HB2 PHE B 30 -14.156 16.510 -6.020 1.00 0.56 H new ATOM 0 HB3 PHE B 30 -15.618 17.448 -5.789 1.00 0.56 H new ATOM 0 HD1 PHE B 30 -14.650 20.001 -4.700 1.00 0.75 H new ATOM 0 HD2 PHE B 30 -12.940 17.515 -7.758 1.00 0.69 H new ATOM 0 HE1 PHE B 30 -13.521 21.980 -5.678 1.00 0.87 H new ATOM 0 HE2 PHE B 30 -11.814 19.494 -8.737 1.00 0.78 H new ATOM 0 HZ PHE B 30 -12.106 21.725 -7.701 1.00 0.86 H new ATOM 1429 N CYS B 31 -14.017 15.636 -2.403 1.00 0.46 N ATOM 1430 CA CYS B 31 -14.295 14.324 -1.750 1.00 0.41 C ATOM 1431 C CYS B 31 -15.756 13.916 -1.949 1.00 0.33 C ATOM 1432 O CYS B 31 -16.616 14.254 -1.160 1.00 0.39 O ATOM 1433 CB CYS B 31 -13.998 14.579 -0.266 1.00 0.46 C ATOM 1434 SG CYS B 31 -14.905 13.411 0.788 1.00 0.56 S ATOM 0 H CYS B 31 -13.281 16.183 -1.956 1.00 0.46 H new ATOM 0 HA CYS B 31 -13.696 13.513 -2.165 1.00 0.41 H new ATOM 0 HB2 CYS B 31 -12.928 14.483 -0.084 1.00 0.46 H new ATOM 0 HB3 CYS B 31 -14.276 15.600 -0.006 1.00 0.46 H new ATOM 1439 N SER B 32 -16.035 13.193 -2.991 1.00 0.34 N ATOM 1440 CA SER B 32 -17.434 12.759 -3.251 1.00 0.30 C ATOM 1441 C SER B 32 -17.487 11.997 -4.567 1.00 0.39 C ATOM 1442 O SER B 32 -18.278 11.092 -4.750 1.00 0.47 O ATOM 1443 CB SER B 32 -18.241 14.053 -3.376 1.00 0.28 C ATOM 1444 OG SER B 32 -17.848 14.732 -4.562 1.00 0.36 O ATOM 0 H SER B 32 -15.351 12.881 -3.680 1.00 0.34 H new ATOM 0 HA SER B 32 -17.819 12.110 -2.464 1.00 0.30 H new ATOM 0 HB2 SER B 32 -19.308 13.830 -3.406 1.00 0.28 H new ATOM 0 HB3 SER B 32 -18.072 14.687 -2.506 1.00 0.28 H new ATOM 0 HG SER B 32 -17.014 15.220 -4.399 1.00 0.36 H new ATOM 1450 N ILE B 33 -16.655 12.374 -5.494 1.00 0.46 N ATOM 1451 CA ILE B 33 -16.657 11.693 -6.815 1.00 0.58 C ATOM 1452 C ILE B 33 -15.292 11.069 -7.113 1.00 0.66 C ATOM 1453 O ILE B 33 -15.208 9.957 -7.598 1.00 0.75 O ATOM 1454 CB ILE B 33 -16.974 12.798 -7.826 1.00 0.62 C ATOM 1455 CG1 ILE B 33 -18.373 13.355 -7.549 1.00 0.73 C ATOM 1456 CG2 ILE B 33 -16.928 12.222 -9.242 1.00 0.62 C ATOM 1457 CD1 ILE B 33 -18.374 14.874 -7.741 1.00 0.82 C ATOM 0 H ILE B 33 -15.973 13.126 -5.394 1.00 0.46 H new ATOM 0 HA ILE B 33 -17.381 10.879 -6.851 1.00 0.58 H new ATOM 0 HB ILE B 33 -16.238 13.597 -7.734 1.00 0.62 H new ATOM 0 HG12 ILE B 33 -19.097 12.894 -8.220 1.00 0.73 H new ATOM 0 HG13 ILE B 33 -18.678 13.108 -6.532 1.00 0.73 H new ATOM 0 HG21 ILE B 33 -17.154 13.008 -9.962 1.00 0.62 H new ATOM 0 HG22 ILE B 33 -15.933 11.823 -9.440 1.00 0.62 H new ATOM 0 HG23 ILE B 33 -17.664 11.424 -9.334 1.00 0.62 H new ATOM 0 HD11 ILE B 33 -19.372 15.265 -7.543 1.00 0.82 H new ATOM 0 HD12 ILE B 33 -17.662 15.328 -7.052 1.00 0.82 H new ATOM 0 HD13 ILE B 33 -18.088 15.111 -8.766 1.00 0.82 H new ATOM 1469 N ARG B 34 -14.218 11.769 -6.844 1.00 0.68 N ATOM 1470 CA ARG B 34 -12.884 11.204 -7.137 1.00 0.78 C ATOM 1471 C ARG B 34 -11.818 11.785 -6.201 1.00 0.71 C ATOM 1472 O ARG B 34 -10.745 12.165 -6.631 1.00 0.79 O ATOM 1473 CB ARG B 34 -12.582 11.582 -8.597 1.00 0.90 C ATOM 1474 CG ARG B 34 -13.862 11.497 -9.438 1.00 0.95 C ATOM 1475 CD ARG B 34 -13.559 11.818 -10.900 1.00 1.09 C ATOM 1476 NE ARG B 34 -14.556 11.024 -11.670 1.00 1.17 N ATOM 1477 CZ ARG B 34 -14.553 11.063 -12.973 1.00 1.36 C ATOM 1478 NH1 ARG B 34 -13.424 10.993 -13.625 1.00 1.49 N ATOM 1479 NH2 ARG B 34 -15.680 11.165 -13.622 1.00 1.50 N ATOM 0 H ARG B 34 -14.216 12.704 -6.435 1.00 0.68 H new ATOM 0 HA ARG B 34 -12.872 10.125 -6.986 1.00 0.78 H new ATOM 0 HB2 ARG B 34 -12.174 12.592 -8.643 1.00 0.90 H new ATOM 0 HB3 ARG B 34 -11.824 10.913 -9.005 1.00 0.90 H new ATOM 0 HG2 ARG B 34 -14.291 10.498 -9.359 1.00 0.95 H new ATOM 0 HG3 ARG B 34 -14.606 12.194 -9.052 1.00 0.95 H new ATOM 0 HD2 ARG B 34 -13.660 12.884 -11.101 1.00 1.09 H new ATOM 0 HD3 ARG B 34 -12.539 11.539 -11.165 1.00 1.09 H new ATOM 0 HE ARG B 34 -15.241 10.450 -11.178 1.00 1.17 H new ATOM 0 HH11 ARG B 34 -12.545 10.908 -13.115 1.00 1.49 H new ATOM 0 HH12 ARG B 34 -13.421 11.023 -14.645 1.00 1.49 H new ATOM 0 HH21 ARG B 34 -16.561 11.214 -13.110 1.00 1.50 H new ATOM 0 HH22 ARG B 34 -15.680 11.196 -14.642 1.00 1.50 H new ATOM 1493 N GLY B 35 -12.089 11.840 -4.926 1.00 0.58 N ATOM 1494 CA GLY B 35 -11.071 12.376 -3.978 1.00 0.51 C ATOM 1495 C GLY B 35 -10.567 11.274 -3.019 1.00 0.44 C ATOM 1496 O GLY B 35 -10.220 11.572 -1.894 1.00 0.42 O ATOM 0 H GLY B 35 -12.966 11.539 -4.501 1.00 0.58 H new ATOM 0 HA2 GLY B 35 -10.231 12.788 -4.537 1.00 0.51 H new ATOM 0 HA3 GLY B 35 -11.502 13.194 -3.401 1.00 0.51 H new ATOM 1500 N PRO B 36 -10.532 10.034 -3.473 1.00 0.40 N ATOM 1501 CA PRO B 36 -10.054 8.929 -2.601 1.00 0.36 C ATOM 1502 C PRO B 36 -8.524 8.893 -2.545 1.00 0.36 C ATOM 1503 O PRO B 36 -7.936 7.943 -2.065 1.00 0.45 O ATOM 1504 CB PRO B 36 -10.553 7.674 -3.304 1.00 0.41 C ATOM 1505 CG PRO B 36 -10.677 8.056 -4.745 1.00 0.49 C ATOM 1506 CD PRO B 36 -10.928 9.539 -4.802 1.00 0.51 C ATOM 0 HA PRO B 36 -10.408 9.035 -1.576 1.00 0.36 H new ATOM 0 HB2 PRO B 36 -9.856 6.846 -3.174 1.00 0.41 H new ATOM 0 HB3 PRO B 36 -11.511 7.350 -2.898 1.00 0.41 H new ATOM 0 HG2 PRO B 36 -9.768 7.800 -5.289 1.00 0.49 H new ATOM 0 HG3 PRO B 36 -11.494 7.511 -5.217 1.00 0.49 H new ATOM 0 HD2 PRO B 36 -10.342 10.010 -5.591 1.00 0.51 H new ATOM 0 HD3 PRO B 36 -11.976 9.756 -5.010 1.00 0.51 H new ATOM 1514 N VAL B 37 -7.866 9.893 -3.059 1.00 0.37 N ATOM 1515 CA VAL B 37 -6.377 9.869 -3.056 1.00 0.44 C ATOM 1516 C VAL B 37 -5.810 11.176 -2.537 1.00 0.38 C ATOM 1517 O VAL B 37 -6.525 12.124 -2.280 1.00 0.43 O ATOM 1518 CB VAL B 37 -6.002 9.645 -4.519 1.00 0.57 C ATOM 1519 CG1 VAL B 37 -4.487 9.751 -4.692 1.00 0.73 C ATOM 1520 CG2 VAL B 37 -6.468 8.251 -4.943 1.00 0.60 C ATOM 0 H VAL B 37 -8.290 10.720 -3.478 1.00 0.37 H new ATOM 0 HA VAL B 37 -5.975 9.095 -2.402 1.00 0.44 H new ATOM 0 HB VAL B 37 -6.483 10.403 -5.138 1.00 0.57 H new ATOM 0 HG11 VAL B 37 -4.228 9.590 -5.738 1.00 0.73 H new ATOM 0 HG12 VAL B 37 -4.154 10.742 -4.384 1.00 0.73 H new ATOM 0 HG13 VAL B 37 -3.997 8.996 -4.077 1.00 0.73 H new ATOM 0 HG21 VAL B 37 -6.205 8.081 -5.987 1.00 0.60 H new ATOM 0 HG22 VAL B 37 -5.983 7.500 -4.320 1.00 0.60 H new ATOM 0 HG23 VAL B 37 -7.549 8.177 -4.825 1.00 0.60 H new ATOM 1530 N ILE B 38 -4.527 11.220 -2.350 1.00 0.34 N ATOM 1531 CA ILE B 38 -3.914 12.446 -1.815 1.00 0.30 C ATOM 1532 C ILE B 38 -2.572 12.723 -2.513 1.00 0.29 C ATOM 1533 O ILE B 38 -2.468 13.599 -3.350 1.00 0.42 O ATOM 1534 CB ILE B 38 -3.779 12.146 -0.312 1.00 0.31 C ATOM 1535 CG1 ILE B 38 -4.871 12.898 0.437 1.00 0.30 C ATOM 1536 CG2 ILE B 38 -2.419 12.587 0.241 1.00 0.39 C ATOM 1537 CD1 ILE B 38 -4.664 14.394 0.232 1.00 0.34 C ATOM 0 H ILE B 38 -3.880 10.456 -2.546 1.00 0.34 H new ATOM 0 HA ILE B 38 -4.495 13.352 -1.985 1.00 0.30 H new ATOM 0 HB ILE B 38 -3.870 11.068 -0.175 1.00 0.31 H new ATOM 0 HG12 ILE B 38 -5.854 12.599 0.072 1.00 0.30 H new ATOM 0 HG13 ILE B 38 -4.837 12.654 1.499 1.00 0.30 H new ATOM 0 HG21 ILE B 38 -2.367 12.356 1.305 1.00 0.39 H new ATOM 0 HG22 ILE B 38 -1.624 12.058 -0.284 1.00 0.39 H new ATOM 0 HG23 ILE B 38 -2.298 13.661 0.096 1.00 0.39 H new ATOM 0 HD11 ILE B 38 -5.440 14.945 0.764 1.00 0.34 H new ATOM 0 HD12 ILE B 38 -3.686 14.682 0.617 1.00 0.34 H new ATOM 0 HD13 ILE B 38 -4.718 14.626 -0.832 1.00 0.34 H new ATOM 1549 N GLU B 39 -1.550 11.987 -2.182 1.00 0.27 N ATOM 1550 CA GLU B 39 -0.224 12.210 -2.829 1.00 0.29 C ATOM 1551 C GLU B 39 0.661 10.977 -2.636 1.00 0.32 C ATOM 1552 O GLU B 39 0.422 10.163 -1.767 1.00 0.42 O ATOM 1553 CB GLU B 39 0.367 13.424 -2.113 1.00 0.32 C ATOM 1554 CG GLU B 39 0.588 13.090 -0.638 1.00 0.36 C ATOM 1555 CD GLU B 39 2.079 12.865 -0.385 1.00 0.40 C ATOM 1556 OE1 GLU B 39 2.529 11.746 -0.570 1.00 0.50 O ATOM 1557 OE2 GLU B 39 2.748 13.816 -0.011 1.00 0.48 O ATOM 0 H GLU B 39 -1.573 11.238 -1.490 1.00 0.27 H new ATOM 0 HA GLU B 39 -0.304 12.378 -3.903 1.00 0.29 H new ATOM 0 HB2 GLU B 39 1.311 13.709 -2.577 1.00 0.32 H new ATOM 0 HB3 GLU B 39 -0.305 14.277 -2.207 1.00 0.32 H new ATOM 0 HG2 GLU B 39 0.220 13.902 -0.011 1.00 0.36 H new ATOM 0 HG3 GLU B 39 0.023 12.198 -0.367 1.00 0.36 H new ATOM 1564 N GLN B 40 1.681 10.826 -3.434 1.00 0.33 N ATOM 1565 CA GLN B 40 2.565 9.636 -3.277 1.00 0.37 C ATOM 1566 C GLN B 40 3.951 9.903 -3.867 1.00 0.41 C ATOM 1567 O GLN B 40 4.186 10.913 -4.501 1.00 0.50 O ATOM 1568 CB GLN B 40 1.855 8.521 -4.041 1.00 0.41 C ATOM 1569 CG GLN B 40 1.866 8.839 -5.539 1.00 0.38 C ATOM 1570 CD GLN B 40 2.452 7.651 -6.307 1.00 0.55 C ATOM 1571 OE1 GLN B 40 2.212 6.511 -5.962 1.00 0.80 O ATOM 1572 NE2 GLN B 40 3.210 7.873 -7.345 1.00 0.77 N ATOM 0 H GLN B 40 1.940 11.469 -4.182 1.00 0.33 H new ATOM 0 HA GLN B 40 2.726 9.380 -2.230 1.00 0.37 H new ATOM 0 HB2 GLN B 40 2.350 7.568 -3.857 1.00 0.41 H new ATOM 0 HB3 GLN B 40 0.829 8.420 -3.688 1.00 0.41 H new ATOM 0 HG2 GLN B 40 0.854 9.046 -5.885 1.00 0.38 H new ATOM 0 HG3 GLN B 40 2.457 9.735 -5.727 1.00 0.38 H new ATOM 0 HE21 GLN B 40 3.411 8.830 -7.634 1.00 0.77 H new ATOM 0 HE22 GLN B 40 3.602 7.089 -7.868 1.00 0.77 H new ATOM 1581 N GLY B 41 4.873 8.999 -3.665 1.00 0.38 N ATOM 1582 CA GLY B 41 6.239 9.195 -4.219 1.00 0.40 C ATOM 1583 C GLY B 41 7.285 9.064 -3.110 1.00 0.37 C ATOM 1584 O GLY B 41 7.433 8.020 -2.497 1.00 0.43 O ATOM 0 H GLY B 41 4.737 8.135 -3.140 1.00 0.38 H new ATOM 0 HA2 GLY B 41 6.432 8.458 -4.999 1.00 0.40 H new ATOM 0 HA3 GLY B 41 6.313 10.178 -4.684 1.00 0.40 H new ATOM 1588 N CYS B 42 8.024 10.115 -2.863 1.00 0.36 N ATOM 1589 CA CYS B 42 9.083 10.060 -1.814 1.00 0.39 C ATOM 1590 C CYS B 42 8.883 11.160 -0.765 1.00 0.37 C ATOM 1591 O CYS B 42 8.463 12.258 -1.072 1.00 0.44 O ATOM 1592 CB CYS B 42 10.386 10.278 -2.588 1.00 0.46 C ATOM 1593 SG CYS B 42 10.474 11.982 -3.194 1.00 0.50 S ATOM 0 H CYS B 42 7.939 11.010 -3.344 1.00 0.36 H new ATOM 0 HA CYS B 42 9.072 9.119 -1.264 1.00 0.39 H new ATOM 0 HB2 CYS B 42 11.240 10.069 -1.944 1.00 0.46 H new ATOM 0 HB3 CYS B 42 10.441 9.583 -3.426 1.00 0.46 H new ATOM 1598 N VAL B 43 9.188 10.868 0.474 1.00 0.34 N ATOM 1599 CA VAL B 43 9.027 11.889 1.554 1.00 0.33 C ATOM 1600 C VAL B 43 9.966 11.574 2.725 1.00 0.33 C ATOM 1601 O VAL B 43 10.995 12.198 2.893 1.00 0.45 O ATOM 1602 CB VAL B 43 7.565 11.784 2.003 1.00 0.33 C ATOM 1603 CG1 VAL B 43 7.341 12.685 3.221 1.00 0.41 C ATOM 1604 CG2 VAL B 43 6.643 12.239 0.869 1.00 0.34 C ATOM 0 H VAL B 43 9.543 9.964 0.785 1.00 0.34 H new ATOM 0 HA VAL B 43 9.272 12.892 1.204 1.00 0.33 H new ATOM 0 HB VAL B 43 7.342 10.749 2.262 1.00 0.33 H new ATOM 0 HG11 VAL B 43 6.302 12.612 3.542 1.00 0.41 H new ATOM 0 HG12 VAL B 43 7.995 12.368 4.033 1.00 0.41 H new ATOM 0 HG13 VAL B 43 7.567 13.718 2.956 1.00 0.41 H new ATOM 0 HG21 VAL B 43 5.605 12.163 1.192 1.00 0.34 H new ATOM 0 HG22 VAL B 43 6.868 13.274 0.610 1.00 0.34 H new ATOM 0 HG23 VAL B 43 6.799 11.605 -0.004 1.00 0.34 H new ATOM 1614 N ALA B 44 9.619 10.609 3.535 1.00 0.29 N ATOM 1615 CA ALA B 44 10.491 10.253 4.696 1.00 0.34 C ATOM 1616 C ALA B 44 10.091 8.890 5.259 1.00 0.31 C ATOM 1617 O ALA B 44 10.794 7.911 5.108 1.00 0.39 O ATOM 1618 CB ALA B 44 10.245 11.349 5.733 1.00 0.43 C ATOM 0 H ALA B 44 8.770 10.051 3.444 1.00 0.29 H new ATOM 0 HA ALA B 44 11.542 10.187 4.414 1.00 0.34 H new ATOM 0 HB1 ALA B 44 10.852 11.156 6.617 1.00 0.43 H new ATOM 0 HB2 ALA B 44 10.516 12.317 5.311 1.00 0.43 H new ATOM 0 HB3 ALA B 44 9.191 11.357 6.011 1.00 0.43 H new ATOM 1624 N THR B 45 8.963 8.819 5.907 1.00 0.34 N ATOM 1625 CA THR B 45 8.511 7.520 6.483 1.00 0.39 C ATOM 1626 C THR B 45 7.030 7.290 6.160 1.00 0.41 C ATOM 1627 O THR B 45 6.396 8.098 5.511 1.00 0.51 O ATOM 1628 CB THR B 45 8.736 7.657 7.992 1.00 0.45 C ATOM 1629 OG1 THR B 45 8.715 6.371 8.595 1.00 0.62 O ATOM 1630 CG2 THR B 45 7.639 8.528 8.604 1.00 0.59 C ATOM 0 H THR B 45 8.332 9.605 6.064 1.00 0.34 H new ATOM 0 HA THR B 45 9.054 6.667 6.075 1.00 0.39 H new ATOM 0 HB THR B 45 9.704 8.125 8.168 1.00 0.45 H new ATOM 0 HG1 THR B 45 8.861 6.460 9.560 1.00 0.62 H new ATOM 0 HG21 THR B 45 7.805 8.621 9.677 1.00 0.59 H new ATOM 0 HG22 THR B 45 7.662 9.517 8.146 1.00 0.59 H new ATOM 0 HG23 THR B 45 6.667 8.068 8.426 1.00 0.59 H new ATOM 1638 N CYS B 46 6.478 6.191 6.597 1.00 0.45 N ATOM 1639 CA CYS B 46 5.043 5.904 6.303 1.00 0.47 C ATOM 1640 C CYS B 46 4.181 6.097 7.552 1.00 0.49 C ATOM 1641 O CYS B 46 4.643 5.919 8.661 1.00 0.66 O ATOM 1642 CB CYS B 46 5.017 4.438 5.868 1.00 0.49 C ATOM 1643 SG CYS B 46 5.560 4.305 4.148 1.00 0.45 S ATOM 0 H CYS B 46 6.959 5.478 7.146 1.00 0.45 H new ATOM 0 HA CYS B 46 4.645 6.573 5.541 1.00 0.47 H new ATOM 0 HB2 CYS B 46 5.667 3.846 6.512 1.00 0.49 H new ATOM 0 HB3 CYS B 46 4.010 4.035 5.974 1.00 0.49 H new ATOM 1648 N PRO B 47 2.947 6.451 7.322 1.00 0.40 N ATOM 1649 CA PRO B 47 1.997 6.663 8.438 1.00 0.41 C ATOM 1650 C PRO B 47 1.606 5.319 9.060 1.00 0.37 C ATOM 1651 O PRO B 47 1.699 4.280 8.432 1.00 0.38 O ATOM 1652 CB PRO B 47 0.795 7.322 7.768 1.00 0.42 C ATOM 1653 CG PRO B 47 0.866 6.893 6.338 1.00 0.52 C ATOM 1654 CD PRO B 47 2.323 6.683 6.013 1.00 0.48 C ATOM 0 HA PRO B 47 2.409 7.268 9.246 1.00 0.41 H new ATOM 0 HB2 PRO B 47 -0.139 7.002 8.230 1.00 0.42 H new ATOM 0 HB3 PRO B 47 0.839 8.407 7.857 1.00 0.42 H new ATOM 0 HG2 PRO B 47 0.300 5.975 6.182 1.00 0.52 H new ATOM 0 HG3 PRO B 47 0.431 7.650 5.686 1.00 0.52 H new ATOM 0 HD2 PRO B 47 2.465 5.832 5.346 1.00 0.48 H new ATOM 0 HD3 PRO B 47 2.751 7.553 5.515 1.00 0.48 H new ATOM 1662 N GLN B 48 1.174 5.333 10.288 1.00 0.36 N ATOM 1663 CA GLN B 48 0.779 4.081 10.965 1.00 0.34 C ATOM 1664 C GLN B 48 -0.476 3.508 10.318 1.00 0.33 C ATOM 1665 O GLN B 48 -1.501 3.388 10.956 1.00 0.41 O ATOM 1666 CB GLN B 48 0.492 4.483 12.409 1.00 0.41 C ATOM 1667 CG GLN B 48 -0.487 5.655 12.406 1.00 0.45 C ATOM 1668 CD GLN B 48 -1.411 5.555 13.619 1.00 0.68 C ATOM 1669 OE1 GLN B 48 -2.029 4.534 13.846 1.00 0.91 O ATOM 1670 NE2 GLN B 48 -1.536 6.584 14.411 1.00 0.84 N ATOM 0 H GLN B 48 1.078 6.175 10.856 1.00 0.36 H new ATOM 0 HA GLN B 48 1.553 3.316 10.899 1.00 0.34 H new ATOM 0 HB2 GLN B 48 0.072 3.641 12.959 1.00 0.41 H new ATOM 0 HB3 GLN B 48 1.416 4.764 12.914 1.00 0.41 H new ATOM 0 HG2 GLN B 48 0.059 6.598 12.429 1.00 0.45 H new ATOM 0 HG3 GLN B 48 -1.074 5.649 11.488 1.00 0.45 H new ATOM 0 HE21 GLN B 48 -1.017 7.441 14.220 1.00 0.84 H new ATOM 0 HE22 GLN B 48 -2.153 6.532 15.222 1.00 0.84 H new ATOM 1679 N PHE B 49 -0.377 3.172 9.058 1.00 0.27 N ATOM 1680 CA PHE B 49 -1.537 2.596 8.284 1.00 0.27 C ATOM 1681 C PHE B 49 -2.752 2.337 9.184 1.00 0.29 C ATOM 1682 O PHE B 49 -2.693 1.545 10.105 1.00 0.46 O ATOM 1683 CB PHE B 49 -1.015 1.266 7.739 1.00 0.29 C ATOM 1684 CG PHE B 49 -0.247 1.481 6.453 1.00 0.28 C ATOM 1685 CD1 PHE B 49 1.037 2.042 6.479 1.00 0.31 C ATOM 1686 CD2 PHE B 49 -0.815 1.096 5.232 1.00 0.32 C ATOM 1687 CE1 PHE B 49 1.748 2.222 5.284 1.00 0.33 C ATOM 1688 CE2 PHE B 49 -0.101 1.273 4.040 1.00 0.34 C ATOM 1689 CZ PHE B 49 1.179 1.837 4.066 1.00 0.32 C ATOM 0 H PHE B 49 0.479 3.273 8.512 1.00 0.27 H new ATOM 0 HA PHE B 49 -1.870 3.283 7.506 1.00 0.27 H new ATOM 0 HB2 PHE B 49 -0.370 0.792 8.479 1.00 0.29 H new ATOM 0 HB3 PHE B 49 -1.849 0.587 7.561 1.00 0.29 H new ATOM 0 HD1 PHE B 49 1.479 2.336 7.420 1.00 0.31 H new ATOM 0 HD2 PHE B 49 -1.804 0.662 5.210 1.00 0.32 H new ATOM 0 HE1 PHE B 49 2.736 2.658 5.304 1.00 0.33 H new ATOM 0 HE2 PHE B 49 -0.539 0.974 3.099 1.00 0.34 H new ATOM 0 HZ PHE B 49 1.727 1.975 3.146 1.00 0.32 H new ATOM 1699 N ARG B 50 -3.848 2.999 8.935 1.00 0.29 N ATOM 1700 CA ARG B 50 -5.054 2.787 9.788 1.00 0.28 C ATOM 1701 C ARG B 50 -6.314 3.268 9.075 1.00 0.26 C ATOM 1702 O ARG B 50 -6.285 3.674 7.930 1.00 0.32 O ATOM 1703 CB ARG B 50 -4.807 3.621 11.041 1.00 0.28 C ATOM 1704 CG ARG B 50 -4.897 5.106 10.692 1.00 0.24 C ATOM 1705 CD ARG B 50 -3.654 5.821 11.216 1.00 0.30 C ATOM 1706 NE ARG B 50 -4.171 7.038 11.894 1.00 0.36 N ATOM 1707 CZ ARG B 50 -3.345 7.833 12.509 1.00 0.49 C ATOM 1708 NH1 ARG B 50 -2.257 8.230 11.906 1.00 0.82 N ATOM 1709 NH2 ARG B 50 -3.599 8.224 13.727 1.00 0.50 N ATOM 0 H ARG B 50 -3.962 3.676 8.180 1.00 0.29 H new ATOM 0 HA ARG B 50 -5.205 1.732 10.017 1.00 0.28 H new ATOM 0 HB2 ARG B 50 -5.541 3.372 11.807 1.00 0.28 H new ATOM 0 HB3 ARG B 50 -3.825 3.393 11.455 1.00 0.28 H new ATOM 0 HG2 ARG B 50 -4.977 5.234 9.612 1.00 0.24 H new ATOM 0 HG3 ARG B 50 -5.794 5.541 11.132 1.00 0.24 H new ATOM 0 HD2 ARG B 50 -3.097 5.189 11.908 1.00 0.30 H new ATOM 0 HD3 ARG B 50 -2.975 6.080 10.404 1.00 0.30 H new ATOM 0 HE ARG B 50 -5.169 7.249 11.877 1.00 0.36 H new ATOM 0 HH11 ARG B 50 -2.057 7.917 10.956 1.00 0.82 H new ATOM 0 HH12 ARG B 50 -1.607 8.853 12.385 1.00 0.82 H new ATOM 0 HH21 ARG B 50 -4.446 7.906 14.198 1.00 0.50 H new ATOM 0 HH22 ARG B 50 -2.951 8.847 14.208 1.00 0.50 H new ATOM 1723 N SER B 51 -7.423 3.218 9.752 1.00 0.27 N ATOM 1724 CA SER B 51 -8.708 3.662 9.137 1.00 0.32 C ATOM 1725 C SER B 51 -8.786 5.194 9.041 1.00 0.33 C ATOM 1726 O SER B 51 -9.789 5.790 9.377 1.00 0.49 O ATOM 1727 CB SER B 51 -9.787 3.137 10.081 1.00 0.41 C ATOM 1728 OG SER B 51 -9.978 4.069 11.138 1.00 0.53 O ATOM 0 H SER B 51 -7.499 2.886 10.714 1.00 0.27 H new ATOM 0 HA SER B 51 -8.817 3.288 8.119 1.00 0.32 H new ATOM 0 HB2 SER B 51 -10.721 2.988 9.538 1.00 0.41 H new ATOM 0 HB3 SER B 51 -9.494 2.167 10.484 1.00 0.41 H new ATOM 0 HG SER B 51 -10.410 4.876 10.788 1.00 0.53 H new ATOM 1734 N ASN B 52 -7.746 5.841 8.577 1.00 0.26 N ATOM 1735 CA ASN B 52 -7.792 7.329 8.460 1.00 0.29 C ATOM 1736 C ASN B 52 -7.594 7.754 7.005 1.00 0.34 C ATOM 1737 O ASN B 52 -8.016 8.817 6.599 1.00 0.64 O ATOM 1738 CB ASN B 52 -6.647 7.840 9.332 1.00 0.33 C ATOM 1739 CG ASN B 52 -7.183 8.183 10.722 1.00 0.42 C ATOM 1740 OD1 ASN B 52 -7.191 9.334 11.116 1.00 0.51 O ATOM 1741 ND2 ASN B 52 -7.645 7.229 11.483 1.00 0.61 N ATOM 0 H ASN B 52 -6.874 5.406 8.276 1.00 0.26 H new ATOM 0 HA ASN B 52 -8.752 7.734 8.779 1.00 0.29 H new ATOM 0 HB2 ASN B 52 -5.867 7.083 9.408 1.00 0.33 H new ATOM 0 HB3 ASN B 52 -6.194 8.721 8.877 1.00 0.33 H new ATOM 0 HD21 ASN B 52 -8.013 7.448 12.409 1.00 0.61 H new ATOM 0 HD22 ASN B 52 -7.638 6.264 11.152 1.00 0.61 H new ATOM 1748 N TYR B 53 -6.962 6.932 6.214 1.00 0.25 N ATOM 1749 CA TYR B 53 -6.749 7.294 4.784 1.00 0.26 C ATOM 1750 C TYR B 53 -7.659 6.454 3.892 1.00 0.27 C ATOM 1751 O TYR B 53 -8.568 5.796 4.356 1.00 0.35 O ATOM 1752 CB TYR B 53 -5.284 6.971 4.499 1.00 0.28 C ATOM 1753 CG TYR B 53 -4.424 7.576 5.579 1.00 0.26 C ATOM 1754 CD1 TYR B 53 -4.054 8.923 5.508 1.00 0.30 C ATOM 1755 CD2 TYR B 53 -4.001 6.788 6.653 1.00 0.32 C ATOM 1756 CE1 TYR B 53 -3.262 9.484 6.515 1.00 0.33 C ATOM 1757 CE2 TYR B 53 -3.210 7.348 7.662 1.00 0.36 C ATOM 1758 CZ TYR B 53 -2.839 8.696 7.592 1.00 0.33 C ATOM 1759 OH TYR B 53 -2.060 9.249 8.587 1.00 0.40 O ATOM 0 H TYR B 53 -6.584 6.027 6.495 1.00 0.25 H new ATOM 0 HA TYR B 53 -6.979 8.341 4.588 1.00 0.26 H new ATOM 0 HB2 TYR B 53 -5.138 5.891 4.463 1.00 0.28 H new ATOM 0 HB3 TYR B 53 -4.995 7.365 3.524 1.00 0.28 H new ATOM 0 HD1 TYR B 53 -4.380 9.530 4.676 1.00 0.30 H new ATOM 0 HD2 TYR B 53 -4.285 5.747 6.704 1.00 0.32 H new ATOM 0 HE1 TYR B 53 -2.977 10.524 6.462 1.00 0.33 H new ATOM 0 HE2 TYR B 53 -2.886 6.741 8.494 1.00 0.36 H new ATOM 0 HH TYR B 53 -2.525 9.174 9.446 1.00 0.40 H new ATOM 1769 N ARG B 54 -7.419 6.473 2.613 1.00 0.27 N ATOM 1770 CA ARG B 54 -8.261 5.676 1.682 1.00 0.30 C ATOM 1771 C ARG B 54 -7.391 4.664 0.937 1.00 0.26 C ATOM 1772 O ARG B 54 -7.883 3.781 0.259 1.00 0.30 O ATOM 1773 CB ARG B 54 -8.847 6.704 0.718 1.00 0.32 C ATOM 1774 CG ARG B 54 -9.673 7.718 1.509 1.00 0.37 C ATOM 1775 CD ARG B 54 -11.152 7.348 1.407 1.00 0.36 C ATOM 1776 NE ARG B 54 -11.871 8.650 1.386 1.00 0.38 N ATOM 1777 CZ ARG B 54 -12.958 8.802 2.089 1.00 0.45 C ATOM 1778 NH1 ARG B 54 -12.908 8.732 3.392 1.00 0.48 N ATOM 1779 NH2 ARG B 54 -14.093 9.025 1.491 1.00 0.67 N ATOM 0 H ARG B 54 -6.672 7.009 2.170 1.00 0.27 H new ATOM 0 HA ARG B 54 -9.039 5.109 2.193 1.00 0.30 H new ATOM 0 HB2 ARG B 54 -8.048 7.210 0.177 1.00 0.32 H new ATOM 0 HB3 ARG B 54 -9.471 6.209 -0.026 1.00 0.32 H new ATOM 0 HG2 ARG B 54 -9.359 7.726 2.553 1.00 0.37 H new ATOM 0 HG3 ARG B 54 -9.509 8.722 1.119 1.00 0.37 H new ATOM 0 HD2 ARG B 54 -11.354 6.771 0.505 1.00 0.36 H new ATOM 0 HD3 ARG B 54 -11.466 6.737 2.253 1.00 0.36 H new ATOM 0 HE ARG B 54 -11.514 9.422 0.823 1.00 0.38 H new ATOM 0 HH11 ARG B 54 -12.018 8.558 3.860 1.00 0.48 H new ATOM 0 HH12 ARG B 54 -13.759 8.851 3.942 1.00 0.48 H new ATOM 0 HH21 ARG B 54 -14.131 9.081 0.473 1.00 0.67 H new ATOM 0 HH22 ARG B 54 -14.944 9.144 2.040 1.00 0.67 H new ATOM 1793 N SER B 55 -6.098 4.782 1.065 1.00 0.24 N ATOM 1794 CA SER B 55 -5.189 3.825 0.370 1.00 0.25 C ATOM 1795 C SER B 55 -3.733 4.154 0.688 1.00 0.23 C ATOM 1796 O SER B 55 -3.266 5.249 0.443 1.00 0.26 O ATOM 1797 CB SER B 55 -5.471 4.023 -1.119 1.00 0.33 C ATOM 1798 OG SER B 55 -4.538 3.263 -1.876 1.00 0.37 O ATOM 0 H SER B 55 -5.631 5.499 1.620 1.00 0.24 H new ATOM 0 HA SER B 55 -5.356 2.794 0.683 1.00 0.25 H new ATOM 0 HB2 SER B 55 -6.488 3.710 -1.353 1.00 0.33 H new ATOM 0 HB3 SER B 55 -5.394 5.079 -1.379 1.00 0.33 H new ATOM 0 HG SER B 55 -4.716 3.385 -2.832 1.00 0.37 H new ATOM 1804 N LEU B 56 -3.005 3.214 1.226 1.00 0.26 N ATOM 1805 CA LEU B 56 -1.576 3.482 1.547 1.00 0.29 C ATOM 1806 C LEU B 56 -0.694 2.374 0.957 1.00 0.32 C ATOM 1807 O LEU B 56 -1.003 1.203 1.055 1.00 0.43 O ATOM 1808 CB LEU B 56 -1.500 3.484 3.076 1.00 0.34 C ATOM 1809 CG LEU B 56 -2.219 4.718 3.625 1.00 0.35 C ATOM 1810 CD1 LEU B 56 -2.159 4.711 5.153 1.00 0.33 C ATOM 1811 CD2 LEU B 56 -1.543 5.988 3.103 1.00 0.37 C ATOM 0 H LEU B 56 -3.336 2.277 1.456 1.00 0.26 H new ATOM 0 HA LEU B 56 -1.225 4.426 1.129 1.00 0.29 H new ATOM 0 HB2 LEU B 56 -1.957 2.578 3.474 1.00 0.34 H new ATOM 0 HB3 LEU B 56 -0.459 3.484 3.398 1.00 0.34 H new ATOM 0 HG LEU B 56 -3.259 4.698 3.298 1.00 0.35 H new ATOM 0 HD11 LEU B 56 -2.672 5.591 5.541 1.00 0.33 H new ATOM 0 HD12 LEU B 56 -2.644 3.812 5.532 1.00 0.33 H new ATOM 0 HD13 LEU B 56 -1.118 4.726 5.476 1.00 0.33 H new ATOM 0 HD21 LEU B 56 -2.059 6.863 3.497 1.00 0.37 H new ATOM 0 HD22 LEU B 56 -0.502 6.005 3.426 1.00 0.37 H new ATOM 0 HD23 LEU B 56 -1.586 6.002 2.014 1.00 0.37 H new ATOM 1823 N LEU B 57 0.405 2.735 0.353 1.00 0.29 N ATOM 1824 CA LEU B 57 1.313 1.704 -0.235 1.00 0.32 C ATOM 1825 C LEU B 57 2.739 1.940 0.256 1.00 0.33 C ATOM 1826 O LEU B 57 3.403 2.868 -0.159 1.00 0.37 O ATOM 1827 CB LEU B 57 1.231 1.903 -1.752 1.00 0.31 C ATOM 1828 CG LEU B 57 2.173 0.916 -2.452 1.00 0.34 C ATOM 1829 CD1 LEU B 57 1.368 -0.266 -2.997 1.00 0.46 C ATOM 1830 CD2 LEU B 57 2.887 1.619 -3.610 1.00 0.39 C ATOM 0 H LEU B 57 0.715 3.700 0.240 1.00 0.29 H new ATOM 0 HA LEU B 57 1.029 0.691 0.051 1.00 0.32 H new ATOM 0 HB2 LEU B 57 0.208 1.750 -2.094 1.00 0.31 H new ATOM 0 HB3 LEU B 57 1.503 2.926 -2.010 1.00 0.31 H new ATOM 0 HG LEU B 57 2.910 0.555 -1.735 1.00 0.34 H new ATOM 0 HD11 LEU B 57 2.040 -0.966 -3.494 1.00 0.46 H new ATOM 0 HD12 LEU B 57 0.861 -0.771 -2.175 1.00 0.46 H new ATOM 0 HD13 LEU B 57 0.628 0.096 -3.711 1.00 0.46 H new ATOM 0 HD21 LEU B 57 3.556 0.916 -4.106 1.00 0.39 H new ATOM 0 HD22 LEU B 57 2.149 1.984 -4.325 1.00 0.39 H new ATOM 0 HD23 LEU B 57 3.465 2.459 -3.225 1.00 0.39 H new ATOM 1842 N CYS B 58 3.217 1.108 1.134 1.00 0.33 N ATOM 1843 CA CYS B 58 4.601 1.291 1.644 1.00 0.30 C ATOM 1844 C CYS B 58 5.381 -0.014 1.523 1.00 0.27 C ATOM 1845 O CYS B 58 4.815 -1.075 1.327 1.00 0.33 O ATOM 1846 CB CYS B 58 4.445 1.690 3.109 1.00 0.34 C ATOM 1847 SG CYS B 58 3.993 3.440 3.209 1.00 0.36 S ATOM 0 H CYS B 58 2.711 0.311 1.520 1.00 0.33 H new ATOM 0 HA CYS B 58 5.150 2.045 1.079 1.00 0.30 H new ATOM 0 HB2 CYS B 58 3.679 1.077 3.585 1.00 0.34 H new ATOM 0 HB3 CYS B 58 5.376 1.512 3.647 1.00 0.34 H new ATOM 1852 N CYS B 59 6.675 0.056 1.641 1.00 0.29 N ATOM 1853 CA CYS B 59 7.490 -1.181 1.532 1.00 0.32 C ATOM 1854 C CYS B 59 8.236 -1.408 2.846 1.00 0.38 C ATOM 1855 O CYS B 59 8.390 -2.523 3.297 1.00 0.45 O ATOM 1856 CB CYS B 59 8.461 -0.932 0.376 1.00 0.34 C ATOM 1857 SG CYS B 59 7.603 -0.104 -0.993 1.00 0.36 S ATOM 0 H CYS B 59 7.202 0.913 1.808 1.00 0.29 H new ATOM 0 HA CYS B 59 6.887 -2.070 1.345 1.00 0.32 H new ATOM 0 HB2 CYS B 59 9.295 -0.318 0.717 1.00 0.34 H new ATOM 0 HB3 CYS B 59 8.881 -1.878 0.033 1.00 0.34 H new ATOM 1862 N THR B 60 8.658 -0.343 3.479 1.00 0.39 N ATOM 1863 CA THR B 60 9.355 -0.444 4.804 1.00 0.49 C ATOM 1864 C THR B 60 10.751 -1.079 4.700 1.00 0.54 C ATOM 1865 O THR B 60 11.489 -1.102 5.664 1.00 0.63 O ATOM 1866 CB THR B 60 8.439 -1.307 5.689 1.00 0.53 C ATOM 1867 OG1 THR B 60 8.760 -2.677 5.514 1.00 0.48 O ATOM 1868 CG2 THR B 60 6.969 -1.075 5.322 1.00 0.62 C ATOM 0 H THR B 60 8.549 0.609 3.130 1.00 0.39 H new ATOM 0 HA THR B 60 9.522 0.551 5.216 1.00 0.49 H new ATOM 0 HB THR B 60 8.591 -1.025 6.731 1.00 0.53 H new ATOM 0 HG1 THR B 60 8.834 -2.876 4.557 1.00 0.48 H new ATOM 0 HG21 THR B 60 6.334 -1.693 5.957 1.00 0.62 H new ATOM 0 HG22 THR B 60 6.718 -0.025 5.470 1.00 0.62 H new ATOM 0 HG23 THR B 60 6.808 -1.343 4.278 1.00 0.62 H new ATOM 1876 N THR B 61 11.134 -1.592 3.565 1.00 0.51 N ATOM 1877 CA THR B 61 12.493 -2.202 3.465 1.00 0.57 C ATOM 1878 C THR B 61 13.104 -1.917 2.094 1.00 0.56 C ATOM 1879 O THR B 61 12.410 -1.876 1.096 1.00 0.68 O ATOM 1880 CB THR B 61 12.274 -3.702 3.667 1.00 0.63 C ATOM 1881 OG1 THR B 61 13.531 -4.364 3.676 1.00 0.65 O ATOM 1882 CG2 THR B 61 11.412 -4.256 2.533 1.00 0.70 C ATOM 0 H THR B 61 10.576 -1.617 2.712 1.00 0.51 H new ATOM 0 HA THR B 61 13.184 -1.794 4.203 1.00 0.57 H new ATOM 0 HB THR B 61 11.766 -3.869 4.617 1.00 0.63 H new ATOM 0 HG1 THR B 61 13.393 -5.325 3.807 1.00 0.65 H new ATOM 0 HG21 THR B 61 11.259 -5.325 2.681 1.00 0.70 H new ATOM 0 HG22 THR B 61 10.447 -3.748 2.528 1.00 0.70 H new ATOM 0 HG23 THR B 61 11.914 -4.090 1.580 1.00 0.70 H new ATOM 1890 N ASP B 62 14.394 -1.711 2.032 1.00 0.51 N ATOM 1891 CA ASP B 62 15.031 -1.418 0.719 1.00 0.54 C ATOM 1892 C ASP B 62 14.168 -0.409 -0.038 1.00 0.56 C ATOM 1893 O ASP B 62 13.352 0.277 0.545 1.00 0.61 O ATOM 1894 CB ASP B 62 15.053 -2.763 -0.016 1.00 0.51 C ATOM 1895 CG ASP B 62 16.416 -3.432 0.172 1.00 0.55 C ATOM 1896 OD1 ASP B 62 16.715 -3.819 1.289 1.00 0.57 O ATOM 1897 OD2 ASP B 62 17.137 -3.548 -0.806 1.00 0.65 O ATOM 0 H ASP B 62 15.029 -1.733 2.830 1.00 0.51 H new ATOM 0 HA ASP B 62 16.031 -0.995 0.814 1.00 0.54 H new ATOM 0 HB2 ASP B 62 14.264 -3.410 0.367 1.00 0.51 H new ATOM 0 HB3 ASP B 62 14.855 -2.612 -1.077 1.00 0.51 H new ATOM 1902 N ASN B 63 14.309 -0.326 -1.329 1.00 0.59 N ATOM 1903 CA ASN B 63 13.459 0.616 -2.093 1.00 0.59 C ATOM 1904 C ASN B 63 12.268 -0.164 -2.654 1.00 0.58 C ATOM 1905 O ASN B 63 11.861 0.005 -3.787 1.00 0.64 O ATOM 1906 CB ASN B 63 14.362 1.177 -3.183 1.00 0.61 C ATOM 1907 CG ASN B 63 14.981 0.042 -3.991 1.00 0.62 C ATOM 1908 OD1 ASN B 63 15.255 -1.019 -3.465 1.00 0.65 O ATOM 1909 ND2 ASN B 63 15.216 0.225 -5.261 1.00 0.70 N ATOM 0 H ASN B 63 14.973 -0.867 -1.883 1.00 0.59 H new ATOM 0 HA ASN B 63 13.051 1.433 -1.498 1.00 0.59 H new ATOM 0 HB2 ASN B 63 13.788 1.830 -3.840 1.00 0.61 H new ATOM 0 HB3 ASN B 63 15.148 1.786 -2.736 1.00 0.61 H new ATOM 0 HD21 ASN B 63 15.631 -0.524 -5.816 1.00 0.70 H new ATOM 0 HD22 ASN B 63 14.985 1.117 -5.699 1.00 0.70 H new ATOM 1916 N CYS B 64 11.722 -1.029 -1.829 1.00 0.55 N ATOM 1917 CA CYS B 64 10.550 -1.878 -2.211 1.00 0.55 C ATOM 1918 C CYS B 64 10.996 -3.135 -2.971 1.00 0.60 C ATOM 1919 O CYS B 64 10.531 -4.223 -2.691 1.00 0.65 O ATOM 1920 CB CYS B 64 9.638 -0.991 -3.064 1.00 0.50 C ATOM 1921 SG CYS B 64 7.914 -1.295 -2.596 1.00 0.44 S ATOM 0 H CYS B 64 12.053 -1.184 -0.877 1.00 0.55 H new ATOM 0 HA CYS B 64 10.021 -2.240 -1.330 1.00 0.55 H new ATOM 0 HB2 CYS B 64 9.889 0.059 -2.916 1.00 0.50 H new ATOM 0 HB3 CYS B 64 9.785 -1.208 -4.122 1.00 0.50 H new ATOM 1926 N ASN B 65 11.890 -3.018 -3.915 1.00 0.63 N ATOM 1927 CA ASN B 65 12.337 -4.243 -4.648 1.00 0.68 C ATOM 1928 C ASN B 65 13.669 -3.996 -5.372 1.00 0.73 C ATOM 1929 O ASN B 65 14.006 -2.880 -5.711 1.00 0.79 O ATOM 1930 CB ASN B 65 11.221 -4.532 -5.654 1.00 0.70 C ATOM 1931 CG ASN B 65 11.246 -6.015 -6.030 1.00 0.72 C ATOM 1932 OD1 ASN B 65 12.287 -6.643 -5.999 1.00 0.83 O ATOM 1933 ND2 ASN B 65 10.137 -6.608 -6.381 1.00 0.73 N ATOM 0 H ASN B 65 12.326 -2.144 -4.209 1.00 0.63 H new ATOM 0 HA ASN B 65 12.508 -5.080 -3.971 1.00 0.68 H new ATOM 0 HB2 ASN B 65 10.254 -4.271 -5.225 1.00 0.70 H new ATOM 0 HB3 ASN B 65 11.351 -3.918 -6.545 1.00 0.70 H new ATOM 0 HD21 ASN B 65 10.144 -7.597 -6.629 1.00 0.73 H new ATOM 0 HD22 ASN B 65 9.264 -6.082 -6.407 1.00 0.73 H new