USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 215 MET CE :methyl 179:sc= -4.49! (180deg=-4.56!) USER MOD Set 1.2: B 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.01 K(o=0.64,f=-2.1!) USER MOD Set 2.2: A 198 CYS SG : rot -165:sc= 0.0707 USER MOD Set 2.3: A 218 CYS SG : rot -28:sc= -0.444 USER MOD Single : A 158 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.07) USER MOD Single : A 164 TYR OH : rot -79:sc= 0.0389 USER MOD Single : A 169 TYR OH : rot 165:sc= -0.0985 USER MOD Single : A 170 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0879) USER MOD Single : A 171 THR OG1 : rot 80:sc= 0.957 USER MOD Single : A 176 GLN :FLIP amide:sc= -0.0119 F(o=-0.54,f=-0.012) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.1) USER MOD Single : A 182 LYS NZ :NH3+ 162:sc= 2.4 (180deg=2.23) USER MOD Single : A 183 ASN : amide:sc= -4.8! C(o=-4.8!,f=-9.7!) USER MOD Single : A 186 THR OG1 : rot 25:sc= -2.26! USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 192 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 193 ASN : amide:sc= -1.58! C(o=-1.6!,f=-2.7!) USER MOD Single : A 195 ASN : amide:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Single : A 199 LYS NZ :NH3+ 174:sc= 0.0691 (180deg=0.0614) USER MOD Single : A 200 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 203 LYS NZ :NH3+ -166:sc= -2.35! (180deg=-2.81!) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 214 MET CE :methyl 175:sc= -1.19 (180deg=-1.26) USER MOD Single : A 216 THR OG1 : rot 75:sc= 0.34 USER MOD Single : B 2 THR OG1 : rot -166:sc= -2.81! USER MOD Single : B 10 TYR OH : rot -130:sc= -1.52 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.459 9.693 5.621 1.00 0.00 N ATOM 171 CA ILE A 150 8.719 8.497 5.225 1.00 0.00 C ATOM 172 C ILE A 150 9.671 7.427 4.679 1.00 0.00 C ATOM 173 O ILE A 150 9.346 6.239 4.644 1.00 0.00 O ATOM 174 CB ILE A 150 7.636 8.825 4.165 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.714 7.627 3.943 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.268 9.250 2.846 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.951 7.215 5.181 1.00 0.00 C ATOM 0 HA ILE A 150 8.222 8.112 6.116 1.00 0.00 H new ATOM 0 HB ILE A 150 7.044 9.657 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.004 7.867 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.307 6.782 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.484 9.474 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.879 10.138 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.894 8.443 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.317 6.359 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.654 6.943 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.331 8.045 5.519 1.00 0.00 H new ATOM 189 N LEU A 151 10.860 7.863 4.279 1.00 0.00 N ATOM 190 CA LEU A 151 11.871 6.971 3.721 1.00 0.00 C ATOM 191 C LEU A 151 12.339 5.945 4.751 1.00 0.00 C ATOM 192 O LEU A 151 12.798 4.861 4.391 1.00 0.00 O ATOM 193 CB LEU A 151 13.069 7.783 3.224 1.00 0.00 C ATOM 194 CG LEU A 151 12.747 8.863 2.188 1.00 0.00 C ATOM 195 CD1 LEU A 151 14.011 9.605 1.788 1.00 0.00 C ATOM 196 CD2 LEU A 151 12.077 8.256 0.964 1.00 0.00 C ATOM 0 H LEU A 151 11.150 8.840 4.332 1.00 0.00 H new ATOM 0 HA LEU A 151 11.419 6.435 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.546 8.257 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.798 7.096 2.793 1.00 0.00 H new ATOM 0 HG LEU A 151 12.053 9.573 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.766 10.370 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.450 10.076 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.725 8.902 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.858 9.042 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.744 7.522 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 151 11.149 7.768 1.262 1.00 0.00 H new ATOM 208 N ASP A 152 12.212 6.288 6.030 1.00 0.00 N ATOM 209 CA ASP A 152 12.640 5.395 7.106 1.00 0.00 C ATOM 210 C ASP A 152 11.564 4.370 7.435 1.00 0.00 C ATOM 211 O ASP A 152 11.794 3.439 8.210 1.00 0.00 O ATOM 212 CB ASP A 152 13.001 6.185 8.366 1.00 0.00 C ATOM 213 CG ASP A 152 14.375 6.814 8.286 1.00 0.00 C ATOM 214 OD1 ASP A 152 15.369 6.119 8.597 1.00 0.00 O ATOM 215 OD2 ASP A 152 14.474 8.003 7.920 1.00 0.00 O ATOM 0 H ASP A 152 11.818 7.174 6.347 1.00 0.00 H new ATOM 0 HA ASP A 152 13.527 4.868 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 152 12.257 6.965 8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.959 5.522 9.230 1.00 0.00 H new ATOM 221 N ILE A 153 10.391 4.534 6.846 1.00 0.00 N ATOM 222 CA ILE A 153 9.299 3.610 7.087 1.00 0.00 C ATOM 223 C ILE A 153 9.371 2.458 6.095 1.00 0.00 C ATOM 224 O ILE A 153 8.839 2.533 4.987 1.00 0.00 O ATOM 225 CB ILE A 153 7.921 4.299 6.989 1.00 0.00 C ATOM 226 CG1 ILE A 153 7.865 5.527 7.909 1.00 0.00 C ATOM 227 CG2 ILE A 153 6.817 3.313 7.344 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.066 5.209 9.376 1.00 0.00 C ATOM 0 H ILE A 153 10.173 5.294 6.202 1.00 0.00 H new ATOM 0 HA ILE A 153 9.406 3.233 8.104 1.00 0.00 H new ATOM 0 HB ILE A 153 7.771 4.636 5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.628 6.239 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 153 6.900 6.018 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 153 5.849 3.809 7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 153 6.845 2.471 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 153 6.965 2.952 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.012 6.129 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.288 4.523 9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.043 4.746 9.518 1.00 0.00 H new ATOM 240 N ARG A 154 10.059 1.402 6.495 1.00 0.00 N ATOM 241 CA ARG A 154 10.257 0.247 5.635 1.00 0.00 C ATOM 242 C ARG A 154 9.829 -1.026 6.349 1.00 0.00 C ATOM 243 O ARG A 154 10.048 -1.173 7.552 1.00 0.00 O ATOM 244 CB ARG A 154 11.724 0.162 5.211 1.00 0.00 C ATOM 245 CG ARG A 154 12.155 1.331 4.344 1.00 0.00 C ATOM 246 CD ARG A 154 13.611 1.231 3.935 1.00 0.00 C ATOM 247 NE ARG A 154 13.933 2.178 2.869 1.00 0.00 N ATOM 248 CZ ARG A 154 14.916 2.003 1.990 1.00 0.00 C ATOM 249 NH1 ARG A 154 15.768 0.994 2.131 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.062 2.855 0.983 1.00 0.00 N ATOM 0 H ARG A 154 10.492 1.321 7.415 1.00 0.00 H new ATOM 0 HA ARG A 154 9.641 0.358 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.353 0.124 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.887 -0.768 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.530 1.370 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.994 2.263 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.247 1.424 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.827 0.217 3.600 1.00 0.00 H new ATOM 0 HE ARG A 154 13.369 3.025 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.670 0.350 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.520 0.863 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.421 3.642 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 154 15.815 2.723 0.308 1.00 0.00 H new ATOM 264 N GLN A 155 9.213 -1.936 5.606 1.00 0.00 N ATOM 265 CA GLN A 155 8.687 -3.166 6.178 1.00 0.00 C ATOM 266 C GLN A 155 9.794 -4.194 6.354 1.00 0.00 C ATOM 267 O GLN A 155 10.499 -4.533 5.402 1.00 0.00 O ATOM 268 CB GLN A 155 7.582 -3.739 5.289 1.00 0.00 C ATOM 269 CG GLN A 155 7.032 -5.069 5.783 1.00 0.00 C ATOM 270 CD GLN A 155 5.958 -5.637 4.876 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.948 -5.386 3.673 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.067 -6.430 5.443 1.00 0.00 N ATOM 0 H GLN A 155 9.065 -1.844 4.601 1.00 0.00 H new ATOM 0 HA GLN A 155 8.269 -2.932 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.766 -3.018 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 155 7.970 -3.868 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.849 -5.786 5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.622 -4.938 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.111 -6.612 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.335 -6.860 4.878 1.00 0.00 H new ATOM 281 N GLY A 156 9.942 -4.678 7.577 1.00 0.00 N ATOM 282 CA GLY A 156 10.918 -5.713 7.856 1.00 0.00 C ATOM 283 C GLY A 156 10.547 -7.029 7.198 1.00 0.00 C ATOM 284 O GLY A 156 9.380 -7.247 6.870 1.00 0.00 O ATOM 0 H GLY A 156 9.401 -4.372 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.898 -5.393 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.999 -5.855 8.934 1.00 0.00 H new ATOM 288 N PRO A 157 11.516 -7.939 7.016 1.00 0.00 N ATOM 289 CA PRO A 157 11.300 -9.206 6.302 1.00 0.00 C ATOM 290 C PRO A 157 10.269 -10.106 6.983 1.00 0.00 C ATOM 291 O PRO A 157 9.656 -10.956 6.344 1.00 0.00 O ATOM 292 CB PRO A 157 12.681 -9.870 6.313 1.00 0.00 C ATOM 293 CG PRO A 157 13.427 -9.209 7.423 1.00 0.00 C ATOM 294 CD PRO A 157 12.899 -7.806 7.500 1.00 0.00 C ATOM 0 HA PRO A 157 10.902 -9.035 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.600 -10.944 6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.191 -9.732 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.273 -9.736 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.499 -9.212 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.934 -7.418 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.479 -7.123 6.879 1.00 0.00 H new ATOM 302 N LYS A 158 10.081 -9.909 8.280 1.00 0.00 N ATOM 303 CA LYS A 158 9.128 -10.704 9.046 1.00 0.00 C ATOM 304 C LYS A 158 8.073 -9.802 9.675 1.00 0.00 C ATOM 305 O LYS A 158 7.287 -10.231 10.521 1.00 0.00 O ATOM 306 CB LYS A 158 9.861 -11.486 10.136 1.00 0.00 C ATOM 307 CG LYS A 158 10.560 -10.587 11.140 1.00 0.00 C ATOM 308 CD LYS A 158 11.398 -11.384 12.123 1.00 0.00 C ATOM 309 CE LYS A 158 12.058 -10.480 13.150 1.00 0.00 C ATOM 310 NZ LYS A 158 11.070 -9.893 14.093 1.00 0.00 N ATOM 0 H LYS A 158 10.576 -9.204 8.826 1.00 0.00 H new ATOM 0 HA LYS A 158 8.634 -11.405 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.149 -12.123 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.596 -12.144 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.197 -9.878 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.817 -10.004 11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.769 -12.115 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 158 12.163 -11.942 11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 158 12.800 -11.049 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.591 -9.679 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.572 -9.424 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.482 -9.197 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.464 -10.647 14.475 1.00 0.00 H new ATOM 324 N GLU A 159 8.062 -8.553 9.244 1.00 0.00 N ATOM 325 CA GLU A 159 7.214 -7.540 9.847 1.00 0.00 C ATOM 326 C GLU A 159 5.835 -7.507 9.186 1.00 0.00 C ATOM 327 O GLU A 159 5.719 -7.505 7.957 1.00 0.00 O ATOM 328 CB GLU A 159 7.903 -6.187 9.724 1.00 0.00 C ATOM 329 CG GLU A 159 7.149 -5.035 10.354 1.00 0.00 C ATOM 330 CD GLU A 159 7.952 -3.760 10.306 1.00 0.00 C ATOM 331 OE1 GLU A 159 8.082 -3.183 9.211 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.472 -3.336 11.357 1.00 0.00 O ATOM 0 H GLU A 159 8.636 -8.214 8.472 1.00 0.00 H new ATOM 0 HA GLU A 159 7.061 -7.781 10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.889 -6.253 10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 159 8.058 -5.968 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.202 -4.890 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.910 -5.277 11.389 1.00 0.00 H new ATOM 340 N PRO A 160 4.774 -7.500 10.007 1.00 0.00 N ATOM 341 CA PRO A 160 3.390 -7.435 9.531 1.00 0.00 C ATOM 342 C PRO A 160 3.108 -6.154 8.752 1.00 0.00 C ATOM 343 O PRO A 160 3.446 -5.051 9.190 1.00 0.00 O ATOM 344 CB PRO A 160 2.554 -7.475 10.817 1.00 0.00 C ATOM 345 CG PRO A 160 3.490 -7.089 11.908 1.00 0.00 C ATOM 346 CD PRO A 160 4.846 -7.559 11.475 1.00 0.00 C ATOM 0 HA PRO A 160 3.163 -8.248 8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.712 -6.786 10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.141 -8.469 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 160 3.483 -6.010 12.065 1.00 0.00 H new ATOM 0 HG3 PRO A 160 3.200 -7.550 12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.637 -6.918 11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.052 -8.570 11.827 1.00 0.00 H new ATOM 354 N PHE A 161 2.477 -6.319 7.593 1.00 0.00 N ATOM 355 CA PHE A 161 2.158 -5.205 6.703 1.00 0.00 C ATOM 356 C PHE A 161 1.233 -4.201 7.392 1.00 0.00 C ATOM 357 O PHE A 161 1.234 -3.016 7.064 1.00 0.00 O ATOM 358 CB PHE A 161 1.507 -5.746 5.426 1.00 0.00 C ATOM 359 CG PHE A 161 1.278 -4.720 4.351 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.338 -4.218 3.614 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.002 -4.273 4.067 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.126 -3.288 2.613 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.220 -3.342 3.069 1.00 0.00 C ATOM 364 CZ PHE A 161 0.845 -2.849 2.342 1.00 0.00 C ATOM 0 H PHE A 161 2.172 -7.228 7.244 1.00 0.00 H new ATOM 0 HA PHE A 161 3.080 -4.684 6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.136 -6.540 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.550 -6.198 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.342 -4.557 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.839 -4.656 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.961 -2.906 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.223 -3.000 2.858 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.677 -2.121 1.562 1.00 0.00 H new ATOM 374 N ARG A 162 0.463 -4.685 8.360 1.00 0.00 N ATOM 375 CA ARG A 162 -0.457 -3.835 9.107 1.00 0.00 C ATOM 376 C ARG A 162 0.308 -2.810 9.941 1.00 0.00 C ATOM 377 O ARG A 162 -0.048 -1.633 9.969 1.00 0.00 O ATOM 378 CB ARG A 162 -1.362 -4.683 10.004 1.00 0.00 C ATOM 379 CG ARG A 162 -2.226 -5.667 9.231 1.00 0.00 C ATOM 380 CD ARG A 162 -3.155 -6.447 10.147 1.00 0.00 C ATOM 381 NE ARG A 162 -4.166 -5.593 10.774 1.00 0.00 N ATOM 382 CZ ARG A 162 -5.247 -6.057 11.404 1.00 0.00 C ATOM 383 NH1 ARG A 162 -5.460 -7.367 11.498 1.00 0.00 N ATOM 384 NH2 ARG A 162 -6.117 -5.211 11.943 1.00 0.00 N ATOM 0 H ARG A 162 0.458 -5.664 8.646 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.080 -3.298 8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -0.745 -5.233 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.006 -4.023 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.816 -5.128 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.587 -6.361 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.650 -7.232 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.568 -6.939 10.922 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.036 -4.582 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.795 -8.023 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.288 -7.716 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.959 -4.206 11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.943 -5.567 12.424 1.00 0.00 H new ATOM 398 N ASP A 163 1.369 -3.262 10.601 1.00 0.00 N ATOM 399 CA ASP A 163 2.206 -2.380 11.413 1.00 0.00 C ATOM 400 C ASP A 163 3.014 -1.446 10.524 1.00 0.00 C ATOM 401 O ASP A 163 3.268 -0.292 10.877 1.00 0.00 O ATOM 402 CB ASP A 163 3.146 -3.195 12.306 1.00 0.00 C ATOM 403 CG ASP A 163 2.423 -3.872 13.454 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.585 -4.764 13.195 1.00 0.00 O ATOM 405 OD2 ASP A 163 2.694 -3.527 14.623 1.00 0.00 O ATOM 0 H ASP A 163 1.672 -4.236 10.591 1.00 0.00 H new ATOM 0 HA ASP A 163 1.552 -1.784 12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.649 -3.951 11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.920 -2.539 12.706 1.00 0.00 H new ATOM 411 N TYR A 164 3.410 -1.950 9.363 1.00 0.00 N ATOM 412 CA TYR A 164 4.132 -1.149 8.387 1.00 0.00 C ATOM 413 C TYR A 164 3.266 0.015 7.906 1.00 0.00 C ATOM 414 O TYR A 164 3.699 1.170 7.933 1.00 0.00 O ATOM 415 CB TYR A 164 4.568 -2.029 7.212 1.00 0.00 C ATOM 416 CG TYR A 164 4.986 -1.260 5.976 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.158 -0.511 5.950 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.201 -1.286 4.833 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.528 0.191 4.816 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.566 -0.591 3.700 1.00 0.00 C ATOM 421 CZ TYR A 164 5.727 0.145 3.693 1.00 0.00 C ATOM 422 OH TYR A 164 6.081 0.846 2.565 1.00 0.00 O ATOM 0 H TYR A 164 3.242 -2.914 9.074 1.00 0.00 H new ATOM 0 HA TYR A 164 5.023 -0.733 8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.399 -2.657 7.533 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.747 -2.696 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.788 -0.477 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.287 -1.861 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.439 0.772 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 164 3.941 -0.625 2.820 1.00 0.00 H new ATOM 0 HH TYR A 164 5.839 1.789 2.677 1.00 0.00 H new ATOM 432 N VAL A 165 2.043 -0.297 7.487 1.00 0.00 N ATOM 433 CA VAL A 165 1.107 0.711 7.003 1.00 0.00 C ATOM 434 C VAL A 165 0.733 1.700 8.100 1.00 0.00 C ATOM 435 O VAL A 165 0.562 2.894 7.832 1.00 0.00 O ATOM 436 CB VAL A 165 -0.161 0.050 6.419 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.346 1.004 6.406 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.122 -0.438 5.013 1.00 0.00 C ATOM 0 H VAL A 165 1.676 -1.248 7.473 1.00 0.00 H new ATOM 0 HA VAL A 165 1.607 1.265 6.209 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.424 -0.791 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.216 0.498 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.567 1.323 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.105 1.875 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.774 -0.904 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.412 0.406 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.932 -1.167 5.037 1.00 0.00 H new ATOM 448 N ASP A 166 0.626 1.210 9.330 1.00 0.00 N ATOM 449 CA ASP A 166 0.294 2.065 10.467 1.00 0.00 C ATOM 450 C ASP A 166 1.262 3.241 10.559 1.00 0.00 C ATOM 451 O ASP A 166 0.843 4.392 10.634 1.00 0.00 O ATOM 452 CB ASP A 166 0.324 1.258 11.770 1.00 0.00 C ATOM 453 CG ASP A 166 -0.042 2.087 12.990 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.239 2.130 13.353 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.864 2.679 13.608 1.00 0.00 O ATOM 0 H ASP A 166 0.764 0.227 9.567 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.713 2.455 10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.367 0.419 11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 166 1.320 0.838 11.908 1.00 0.00 H new ATOM 461 N ARG A 167 2.556 2.949 10.490 1.00 0.00 N ATOM 462 CA ARG A 167 3.579 3.987 10.586 1.00 0.00 C ATOM 463 C ARG A 167 3.680 4.760 9.276 1.00 0.00 C ATOM 464 O ARG A 167 3.883 5.977 9.275 1.00 0.00 O ATOM 465 CB ARG A 167 4.940 3.368 10.898 1.00 0.00 C ATOM 466 CG ARG A 167 4.932 2.373 12.047 1.00 0.00 C ATOM 467 CD ARG A 167 6.258 1.630 12.139 1.00 0.00 C ATOM 468 NE ARG A 167 6.619 0.999 10.865 1.00 0.00 N ATOM 469 CZ ARG A 167 7.207 -0.193 10.757 1.00 0.00 C ATOM 470 NH1 ARG A 167 7.583 -0.865 11.838 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.452 -0.695 9.553 1.00 0.00 N ATOM 0 H ARG A 167 2.922 2.005 10.368 1.00 0.00 H new ATOM 0 HA ARG A 167 3.293 4.666 11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.311 2.868 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 167 5.644 4.167 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.739 2.896 12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 167 4.120 1.659 11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.044 2.325 12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.195 0.869 12.917 1.00 0.00 H new ATOM 0 HE ARG A 167 6.406 1.505 10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 167 7.423 -0.471 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 167 8.032 -1.776 11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.191 -0.170 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 167 7.901 -1.606 9.462 1.00 0.00 H new ATOM 485 N PHE A 168 3.551 4.038 8.167 1.00 0.00 N ATOM 486 CA PHE A 168 3.667 4.624 6.838 1.00 0.00 C ATOM 487 C PHE A 168 2.637 5.727 6.651 1.00 0.00 C ATOM 488 O PHE A 168 2.981 6.869 6.354 1.00 0.00 O ATOM 489 CB PHE A 168 3.485 3.538 5.766 1.00 0.00 C ATOM 490 CG PHE A 168 3.708 4.011 4.357 1.00 0.00 C ATOM 491 CD1 PHE A 168 4.974 3.973 3.789 1.00 0.00 C ATOM 492 CD2 PHE A 168 2.654 4.491 3.596 1.00 0.00 C ATOM 493 CE1 PHE A 168 5.181 4.406 2.492 1.00 0.00 C ATOM 494 CE2 PHE A 168 2.856 4.923 2.301 1.00 0.00 C ATOM 495 CZ PHE A 168 4.119 4.882 1.748 1.00 0.00 C ATOM 0 H PHE A 168 3.364 3.035 8.165 1.00 0.00 H new ATOM 0 HA PHE A 168 4.661 5.059 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.174 2.720 5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.476 3.133 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 168 5.807 3.601 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 168 1.662 4.527 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 168 6.171 4.372 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 168 2.024 5.294 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.277 5.221 0.735 1.00 0.00 H new ATOM 505 N TYR A 169 1.379 5.381 6.864 1.00 0.00 N ATOM 506 CA TYR A 169 0.283 6.319 6.685 1.00 0.00 C ATOM 507 C TYR A 169 0.405 7.517 7.629 1.00 0.00 C ATOM 508 O TYR A 169 0.220 8.658 7.211 1.00 0.00 O ATOM 509 CB TYR A 169 -1.050 5.596 6.883 1.00 0.00 C ATOM 510 CG TYR A 169 -2.199 6.505 7.237 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.803 7.294 6.271 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.675 6.578 8.541 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.849 8.130 6.592 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.722 7.415 8.870 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.307 8.188 7.892 1.00 0.00 C ATOM 516 OH TYR A 169 -5.348 9.027 8.217 1.00 0.00 O ATOM 0 H TYR A 169 1.089 4.450 7.163 1.00 0.00 H new ATOM 0 HA TYR A 169 0.327 6.711 5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.297 5.056 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.934 4.852 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.448 7.253 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.219 5.970 9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.310 8.739 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.080 7.463 9.888 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.701 8.784 9.098 1.00 0.00 H new ATOM 526 N LYS A 170 0.729 7.255 8.894 1.00 0.00 N ATOM 527 CA LYS A 170 0.846 8.322 9.890 1.00 0.00 C ATOM 528 C LYS A 170 1.926 9.328 9.500 1.00 0.00 C ATOM 529 O LYS A 170 1.724 10.539 9.605 1.00 0.00 O ATOM 530 CB LYS A 170 1.165 7.745 11.271 1.00 0.00 C ATOM 531 CG LYS A 170 0.013 6.986 11.906 1.00 0.00 C ATOM 532 CD LYS A 170 0.428 6.337 13.219 1.00 0.00 C ATOM 533 CE LYS A 170 0.790 7.373 14.274 1.00 0.00 C ATOM 534 NZ LYS A 170 -0.392 8.161 14.708 1.00 0.00 N ATOM 0 H LYS A 170 0.915 6.319 9.254 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.115 8.835 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.022 7.078 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.460 8.559 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.819 7.667 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.343 6.220 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.385 5.712 13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.281 5.681 13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.229 6.873 15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 170 1.549 8.047 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.142 8.733 15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -0.694 8.788 13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.169 7.515 14.954 1.00 0.00 H new ATOM 548 N THR A 171 3.065 8.821 9.049 1.00 0.00 N ATOM 549 CA THR A 171 4.181 9.673 8.674 1.00 0.00 C ATOM 550 C THR A 171 3.897 10.383 7.352 1.00 0.00 C ATOM 551 O THR A 171 4.130 11.580 7.220 1.00 0.00 O ATOM 552 CB THR A 171 5.481 8.855 8.562 1.00 0.00 C ATOM 553 OG1 THR A 171 5.675 8.096 9.764 1.00 0.00 O ATOM 554 CG2 THR A 171 6.685 9.761 8.331 1.00 0.00 C ATOM 0 H THR A 171 3.239 7.823 8.934 1.00 0.00 H new ATOM 0 HA THR A 171 4.307 10.422 9.455 1.00 0.00 H new ATOM 0 HB THR A 171 5.390 8.184 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.113 7.294 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.588 9.155 8.256 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.547 10.321 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.783 10.456 9.165 1.00 0.00 H new ATOM 562 N LEU A 172 3.351 9.644 6.393 1.00 0.00 N ATOM 563 CA LEU A 172 3.043 10.189 5.077 1.00 0.00 C ATOM 564 C LEU A 172 1.979 11.281 5.177 1.00 0.00 C ATOM 565 O LEU A 172 1.992 12.252 4.416 1.00 0.00 O ATOM 566 CB LEU A 172 2.579 9.069 4.147 1.00 0.00 C ATOM 567 CG LEU A 172 2.334 9.476 2.697 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.585 10.089 2.084 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.891 8.272 1.892 1.00 0.00 C ATOM 0 H LEU A 172 3.111 8.659 6.504 1.00 0.00 H new ATOM 0 HA LEU A 172 3.946 10.638 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.326 8.276 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.658 8.646 4.548 1.00 0.00 H new ATOM 0 HG LEU A 172 1.546 10.229 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.383 10.370 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.872 10.974 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.397 9.362 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.718 8.570 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.667 7.507 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.969 7.872 2.314 1.00 0.00 H new ATOM 581 N ARG A 173 1.063 11.116 6.123 1.00 0.00 N ATOM 582 CA ARG A 173 0.050 12.118 6.411 1.00 0.00 C ATOM 583 C ARG A 173 0.697 13.434 6.853 1.00 0.00 C ATOM 584 O ARG A 173 0.152 14.512 6.619 1.00 0.00 O ATOM 585 CB ARG A 173 -0.895 11.583 7.497 1.00 0.00 C ATOM 586 CG ARG A 173 -2.100 12.465 7.776 1.00 0.00 C ATOM 587 CD ARG A 173 -3.084 11.767 8.704 1.00 0.00 C ATOM 588 NE ARG A 173 -4.214 12.628 9.058 1.00 0.00 N ATOM 589 CZ ARG A 173 -5.222 12.251 9.847 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.302 10.999 10.280 1.00 0.00 N ATOM 591 NH2 ARG A 173 -6.165 13.122 10.184 1.00 0.00 N ATOM 0 H ARG A 173 1.003 10.284 6.710 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.522 12.321 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -1.245 10.594 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.331 11.457 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.773 13.402 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.595 12.717 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.455 10.862 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.567 11.456 9.612 1.00 0.00 H new ATOM 0 HE ARG A 173 -4.232 13.574 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.591 10.320 10.010 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.075 10.716 10.883 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.120 14.081 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.935 12.832 10.787 1.00 0.00 H new ATOM 605 N ALA A 174 1.880 13.338 7.454 1.00 0.00 N ATOM 606 CA ALA A 174 2.591 14.513 7.946 1.00 0.00 C ATOM 607 C ALA A 174 3.761 14.888 7.033 1.00 0.00 C ATOM 608 O ALA A 174 4.517 15.812 7.334 1.00 0.00 O ATOM 609 CB ALA A 174 3.088 14.266 9.364 1.00 0.00 C ATOM 0 H ALA A 174 2.367 12.456 7.612 1.00 0.00 H new ATOM 0 HA ALA A 174 1.892 15.350 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 174 3.618 15.149 9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.239 14.062 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 174 3.764 13.411 9.369 1.00 0.00 H new ATOM 615 N GLU A 175 3.911 14.157 5.931 1.00 0.00 N ATOM 616 CA GLU A 175 4.955 14.449 4.948 1.00 0.00 C ATOM 617 C GLU A 175 4.725 15.806 4.293 1.00 0.00 C ATOM 618 O GLU A 175 3.592 16.163 3.951 1.00 0.00 O ATOM 619 CB GLU A 175 5.007 13.364 3.872 1.00 0.00 C ATOM 620 CG GLU A 175 5.773 12.120 4.283 1.00 0.00 C ATOM 621 CD GLU A 175 7.257 12.378 4.439 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.881 12.874 3.477 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.811 12.068 5.511 1.00 0.00 O ATOM 0 H GLU A 175 3.323 13.357 5.695 1.00 0.00 H new ATOM 0 HA GLU A 175 5.907 14.471 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 175 3.988 13.080 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.465 13.779 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.372 11.745 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.620 11.340 3.537 1.00 0.00 H new ATOM 631 N GLN A 176 5.810 16.544 4.096 1.00 0.00 N ATOM 632 CA GLN A 176 5.736 17.891 3.550 1.00 0.00 C ATOM 633 C GLN A 176 5.684 17.865 2.028 1.00 0.00 C ATOM 634 O GLN A 176 6.661 18.172 1.346 1.00 0.00 O ATOM 635 CB GLN A 176 6.916 18.736 4.046 1.00 0.00 C ATOM 636 CG GLN A 176 6.550 19.649 5.206 1.00 0.00 C ATOM 637 CD GLN A 176 5.965 18.906 6.396 1.00 0.00 C ATOM 638 OE1 GLN A 176 6.500 17.735 6.706 1.00 0.00 O flip ATOM 639 NE2 GLN A 176 5.070 19.413 7.068 1.00 0.00 N flip ATOM 0 H GLN A 176 6.757 16.229 4.308 1.00 0.00 H new ATOM 0 HA GLN A 176 4.813 18.351 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.725 18.074 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 176 7.295 19.340 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 176 7.439 20.191 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.831 20.392 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.681 20.317 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 176 4.716 18.930 7.894 1.00 0.00 H new ATOM 648 N ALA A 177 4.523 17.491 1.515 1.00 0.00 N ATOM 649 CA ALA A 177 4.277 17.434 0.084 1.00 0.00 C ATOM 650 C ALA A 177 2.782 17.525 -0.172 1.00 0.00 C ATOM 651 O ALA A 177 1.982 17.257 0.728 1.00 0.00 O ATOM 652 CB ALA A 177 4.837 16.144 -0.498 1.00 0.00 C ATOM 0 H ALA A 177 3.721 17.217 2.083 1.00 0.00 H new ATOM 0 HA ALA A 177 4.777 18.272 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.645 16.115 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.912 16.101 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.356 15.290 -0.021 1.00 0.00 H new ATOM 658 N SER A 178 2.402 17.913 -1.379 1.00 0.00 N ATOM 659 CA SER A 178 0.995 17.987 -1.744 1.00 0.00 C ATOM 660 C SER A 178 0.441 16.586 -2.005 1.00 0.00 C ATOM 661 O SER A 178 1.207 15.666 -2.305 1.00 0.00 O ATOM 662 CB SER A 178 0.821 18.883 -2.968 1.00 0.00 C ATOM 663 OG SER A 178 1.377 20.165 -2.729 1.00 0.00 O ATOM 0 H SER A 178 3.047 18.181 -2.122 1.00 0.00 H new ATOM 0 HA SER A 178 0.433 18.423 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.304 18.426 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 178 -0.238 18.979 -3.208 1.00 0.00 H new ATOM 0 HG SER A 178 1.259 20.726 -3.524 1.00 0.00 H new ATOM 669 N GLN A 179 -0.874 16.428 -1.876 1.00 0.00 N ATOM 670 CA GLN A 179 -1.513 15.109 -1.921 1.00 0.00 C ATOM 671 C GLN A 179 -1.132 14.318 -3.173 1.00 0.00 C ATOM 672 O GLN A 179 -0.666 13.183 -3.062 1.00 0.00 O ATOM 673 CB GLN A 179 -3.037 15.250 -1.813 1.00 0.00 C ATOM 674 CG GLN A 179 -3.787 13.926 -1.879 1.00 0.00 C ATOM 675 CD GLN A 179 -5.229 14.037 -1.410 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.552 14.833 -0.528 1.00 0.00 O ATOM 677 NE2 GLN A 179 -6.110 13.241 -1.997 1.00 0.00 N ATOM 0 H GLN A 179 -1.525 17.201 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.145 14.543 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.280 15.747 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.390 15.896 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.771 13.557 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.267 13.189 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.807 12.593 -2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -7.092 13.276 -1.722 1.00 0.00 H new ATOM 686 N GLU A 180 -1.293 14.914 -4.352 1.00 0.00 N ATOM 687 CA GLU A 180 -1.014 14.203 -5.601 1.00 0.00 C ATOM 688 C GLU A 180 0.466 13.898 -5.747 1.00 0.00 C ATOM 689 O GLU A 180 0.851 12.927 -6.395 1.00 0.00 O ATOM 690 CB GLU A 180 -1.481 14.993 -6.819 1.00 0.00 C ATOM 691 CG GLU A 180 -2.990 15.090 -6.956 1.00 0.00 C ATOM 692 CD GLU A 180 -3.608 16.097 -6.013 1.00 0.00 C ATOM 693 OE1 GLU A 180 -4.171 15.685 -4.982 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.526 17.310 -6.301 1.00 0.00 O ATOM 0 H GLU A 180 -1.611 15.876 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.571 13.267 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.067 16.000 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.075 14.528 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.239 15.362 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.429 14.110 -6.770 1.00 0.00 H new ATOM 702 N VAL A 181 1.289 14.724 -5.136 1.00 0.00 N ATOM 703 CA VAL A 181 2.724 14.535 -5.201 1.00 0.00 C ATOM 704 C VAL A 181 3.127 13.337 -4.361 1.00 0.00 C ATOM 705 O VAL A 181 3.822 12.433 -4.827 1.00 0.00 O ATOM 706 CB VAL A 181 3.487 15.774 -4.697 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.987 15.546 -4.790 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.079 17.015 -5.476 1.00 0.00 C ATOM 0 H VAL A 181 0.990 15.532 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 181 2.983 14.370 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 181 3.228 15.935 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.512 16.431 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.263 14.686 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.263 15.357 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.631 17.877 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.303 16.871 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.010 17.187 -5.352 1.00 0.00 H new ATOM 718 N LYS A 182 2.675 13.335 -3.119 1.00 0.00 N ATOM 719 CA LYS A 182 3.028 12.281 -2.193 1.00 0.00 C ATOM 720 C LYS A 182 2.346 10.967 -2.560 1.00 0.00 C ATOM 721 O LYS A 182 2.918 9.901 -2.352 1.00 0.00 O ATOM 722 CB LYS A 182 2.698 12.682 -0.754 1.00 0.00 C ATOM 723 CG LYS A 182 1.218 12.877 -0.475 1.00 0.00 C ATOM 724 CD LYS A 182 0.958 13.109 1.007 1.00 0.00 C ATOM 725 CE LYS A 182 1.768 14.278 1.544 1.00 0.00 C ATOM 726 NZ LYS A 182 1.507 14.521 2.986 1.00 0.00 N ATOM 0 H LYS A 182 2.063 14.053 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 182 4.105 12.128 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 182 3.083 11.917 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 182 3.224 13.608 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 182 0.847 13.726 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 182 0.664 12.000 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.104 13.299 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.207 12.207 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.830 14.081 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.528 15.177 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.273 15.100 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.602 15.021 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.463 13.612 3.489 1.00 0.00 H new ATOM 740 N ASN A 183 1.139 11.035 -3.126 1.00 0.00 N ATOM 741 CA ASN A 183 0.405 9.818 -3.461 1.00 0.00 C ATOM 742 C ASN A 183 1.019 9.127 -4.670 1.00 0.00 C ATOM 743 O ASN A 183 0.925 7.907 -4.811 1.00 0.00 O ATOM 744 CB ASN A 183 -1.103 10.081 -3.660 1.00 0.00 C ATOM 745 CG ASN A 183 -1.510 10.813 -4.939 1.00 0.00 C ATOM 746 OD1 ASN A 183 -0.892 10.685 -5.990 1.00 0.00 O ATOM 747 ND2 ASN A 183 -2.586 11.582 -4.851 1.00 0.00 N ATOM 0 H ASN A 183 0.658 11.904 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 183 0.492 9.143 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.621 9.122 -3.637 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.463 10.658 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -2.920 12.087 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.080 11.669 -3.963 1.00 0.00 H new ATOM 754 N ALA A 184 1.653 9.911 -5.528 1.00 0.00 N ATOM 755 CA ALA A 184 2.387 9.365 -6.660 1.00 0.00 C ATOM 756 C ALA A 184 3.571 8.553 -6.161 1.00 0.00 C ATOM 757 O ALA A 184 3.892 7.497 -6.703 1.00 0.00 O ATOM 758 CB ALA A 184 2.857 10.478 -7.586 1.00 0.00 C ATOM 0 H ALA A 184 1.674 10.929 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 184 1.722 8.713 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.403 10.047 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.994 11.029 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.511 11.156 -7.037 1.00 0.00 H new ATOM 764 N ALA A 185 4.203 9.055 -5.109 1.00 0.00 N ATOM 765 CA ALA A 185 5.308 8.362 -4.468 1.00 0.00 C ATOM 766 C ALA A 185 4.808 7.163 -3.665 1.00 0.00 C ATOM 767 O ALA A 185 5.465 6.126 -3.607 1.00 0.00 O ATOM 768 CB ALA A 185 6.066 9.318 -3.563 1.00 0.00 C ATOM 0 H ALA A 185 3.965 9.949 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 185 5.980 7.996 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.892 8.790 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 185 6.457 10.146 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.393 9.705 -2.798 1.00 0.00 H new ATOM 774 N THR A 186 3.629 7.317 -3.066 1.00 0.00 N ATOM 775 CA THR A 186 3.043 6.300 -2.202 1.00 0.00 C ATOM 776 C THR A 186 2.953 4.954 -2.890 1.00 0.00 C ATOM 777 O THR A 186 3.457 3.954 -2.381 1.00 0.00 O ATOM 778 CB THR A 186 1.630 6.707 -1.757 1.00 0.00 C ATOM 779 OG1 THR A 186 1.656 7.980 -1.112 1.00 0.00 O ATOM 780 CG2 THR A 186 1.036 5.667 -0.819 1.00 0.00 C ATOM 0 H THR A 186 3.054 8.153 -3.168 1.00 0.00 H new ATOM 0 HA THR A 186 3.702 6.216 -1.338 1.00 0.00 H new ATOM 0 HB THR A 186 1.004 6.772 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.430 8.491 -1.428 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.036 5.978 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.979 4.706 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.667 5.571 0.064 1.00 0.00 H new ATOM 788 N GLU A 187 2.327 4.946 -4.057 1.00 0.00 N ATOM 789 CA GLU A 187 2.077 3.714 -4.781 1.00 0.00 C ATOM 790 C GLU A 187 3.382 2.975 -5.075 1.00 0.00 C ATOM 791 O GLU A 187 3.413 1.746 -5.140 1.00 0.00 O ATOM 792 CB GLU A 187 1.340 4.012 -6.081 1.00 0.00 C ATOM 793 CG GLU A 187 0.082 4.857 -5.915 1.00 0.00 C ATOM 794 CD GLU A 187 -0.954 4.539 -6.974 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.820 3.671 -6.724 1.00 0.00 O ATOM 796 OE2 GLU A 187 -0.911 5.157 -8.059 1.00 0.00 O ATOM 0 H GLU A 187 1.982 5.785 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 187 1.456 3.072 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.020 4.526 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.069 3.069 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.344 4.684 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.344 5.914 -5.969 1.00 0.00 H new ATOM 804 N THR A 188 4.457 3.730 -5.246 1.00 0.00 N ATOM 805 CA THR A 188 5.762 3.150 -5.496 1.00 0.00 C ATOM 806 C THR A 188 6.422 2.702 -4.190 1.00 0.00 C ATOM 807 O THR A 188 6.841 1.553 -4.061 1.00 0.00 O ATOM 808 CB THR A 188 6.681 4.159 -6.206 1.00 0.00 C ATOM 809 OG1 THR A 188 5.908 5.257 -6.709 1.00 0.00 O ATOM 810 CG2 THR A 188 7.418 3.495 -7.354 1.00 0.00 C ATOM 0 H THR A 188 4.448 4.749 -5.215 1.00 0.00 H new ATOM 0 HA THR A 188 5.616 2.282 -6.138 1.00 0.00 H new ATOM 0 HB THR A 188 7.409 4.526 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.500 5.896 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 188 8.063 4.225 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 188 8.025 2.674 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.697 3.108 -8.074 1.00 0.00 H new ATOM 818 N LEU A 189 6.488 3.615 -3.223 1.00 0.00 N ATOM 819 CA LEU A 189 7.170 3.368 -1.949 1.00 0.00 C ATOM 820 C LEU A 189 6.533 2.221 -1.181 1.00 0.00 C ATOM 821 O LEU A 189 7.232 1.421 -0.556 1.00 0.00 O ATOM 822 CB LEU A 189 7.147 4.629 -1.079 1.00 0.00 C ATOM 823 CG LEU A 189 7.906 5.828 -1.647 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.656 7.060 -0.794 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.396 5.526 -1.725 1.00 0.00 C ATOM 0 H LEU A 189 6.073 4.544 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 189 8.200 3.097 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.109 4.920 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.565 4.385 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 189 7.543 6.025 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.202 7.907 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.590 7.285 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 189 7.997 6.873 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.922 6.390 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.776 5.307 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.559 4.664 -2.372 1.00 0.00 H new ATOM 837 N LEU A 190 5.208 2.148 -1.233 1.00 0.00 N ATOM 838 CA LEU A 190 4.458 1.128 -0.508 1.00 0.00 C ATOM 839 C LEU A 190 4.918 -0.270 -0.908 1.00 0.00 C ATOM 840 O LEU A 190 5.144 -1.131 -0.058 1.00 0.00 O ATOM 841 CB LEU A 190 2.959 1.288 -0.781 1.00 0.00 C ATOM 842 CG LEU A 190 2.045 0.393 0.054 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.192 0.722 1.530 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.602 0.550 -0.393 1.00 0.00 C ATOM 0 H LEU A 190 4.627 2.788 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 190 4.643 1.257 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.683 2.327 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.775 1.085 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 190 2.338 -0.646 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.535 0.077 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.225 0.561 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 190 1.921 1.764 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -0.038 -0.094 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.293 1.588 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.513 0.268 -1.442 1.00 0.00 H new ATOM 856 N VAL A 191 5.060 -0.485 -2.208 1.00 0.00 N ATOM 857 CA VAL A 191 5.523 -1.765 -2.718 1.00 0.00 C ATOM 858 C VAL A 191 7.039 -1.874 -2.586 1.00 0.00 C ATOM 859 O VAL A 191 7.562 -2.923 -2.228 1.00 0.00 O ATOM 860 CB VAL A 191 5.113 -1.966 -4.193 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.521 -3.347 -4.689 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.615 -1.756 -4.363 1.00 0.00 C ATOM 0 H VAL A 191 4.861 0.210 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 191 5.052 -2.546 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 191 5.637 -1.224 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.221 -3.463 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.602 -3.458 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.032 -4.110 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.344 -1.902 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.075 -2.473 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.353 -0.743 -4.058 1.00 0.00 H new ATOM 872 N GLN A 192 7.732 -0.772 -2.860 1.00 0.00 N ATOM 873 CA GLN A 192 9.187 -0.731 -2.828 1.00 0.00 C ATOM 874 C GLN A 192 9.741 -1.166 -1.476 1.00 0.00 C ATOM 875 O GLN A 192 10.590 -2.056 -1.404 1.00 0.00 O ATOM 876 CB GLN A 192 9.665 0.682 -3.153 1.00 0.00 C ATOM 877 CG GLN A 192 11.141 0.893 -2.899 1.00 0.00 C ATOM 878 CD GLN A 192 11.591 2.308 -3.198 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.039 2.979 -4.071 1.00 0.00 O ATOM 880 NE2 GLN A 192 12.594 2.775 -2.474 1.00 0.00 N ATOM 0 H GLN A 192 7.298 0.117 -3.110 1.00 0.00 H new ATOM 0 HA GLN A 192 9.557 -1.433 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.450 0.898 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.096 1.396 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.363 0.658 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.714 0.197 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 192 13.025 2.187 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 192 12.937 3.723 -2.629 1.00 0.00 H new ATOM 889 N ASN A 193 9.244 -0.548 -0.414 1.00 0.00 N ATOM 890 CA ASN A 193 9.791 -0.770 0.919 1.00 0.00 C ATOM 891 C ASN A 193 9.112 -1.946 1.614 1.00 0.00 C ATOM 892 O ASN A 193 9.234 -2.115 2.827 1.00 0.00 O ATOM 893 CB ASN A 193 9.670 0.496 1.771 1.00 0.00 C ATOM 894 CG ASN A 193 10.521 1.636 1.242 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.554 1.419 0.610 1.00 0.00 O ATOM 896 ND2 ASN A 193 10.101 2.862 1.508 1.00 0.00 N ATOM 0 H ASN A 193 8.465 0.110 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 193 10.847 -1.015 0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.627 0.810 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.967 0.270 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 193 10.639 3.667 1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.239 3.003 2.035 1.00 0.00 H new ATOM 903 N ALA A 194 8.376 -2.734 0.843 1.00 0.00 N ATOM 904 CA ALA A 194 7.827 -3.991 1.327 1.00 0.00 C ATOM 905 C ALA A 194 8.810 -5.125 1.044 1.00 0.00 C ATOM 906 O ALA A 194 9.472 -5.133 0.002 1.00 0.00 O ATOM 907 CB ALA A 194 6.488 -4.269 0.659 1.00 0.00 C ATOM 0 H ALA A 194 8.144 -2.522 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 194 7.668 -3.922 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.086 -5.212 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.792 -3.463 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.626 -4.331 -0.420 1.00 0.00 H new ATOM 913 N ASN A 195 8.906 -6.076 1.969 1.00 0.00 N ATOM 914 CA ASN A 195 9.857 -7.182 1.833 1.00 0.00 C ATOM 915 C ASN A 195 9.455 -8.103 0.678 1.00 0.00 C ATOM 916 O ASN A 195 8.278 -8.161 0.328 1.00 0.00 O ATOM 917 CB ASN A 195 9.973 -7.991 3.137 1.00 0.00 C ATOM 918 CG ASN A 195 8.693 -8.713 3.518 1.00 0.00 C ATOM 919 OD1 ASN A 195 8.389 -9.781 2.988 1.00 0.00 O ATOM 920 ND2 ASN A 195 7.961 -8.170 4.475 1.00 0.00 N ATOM 0 H ASN A 195 8.341 -6.106 2.818 1.00 0.00 H new ATOM 0 HA ASN A 195 10.833 -6.748 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 195 10.775 -8.721 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.257 -7.320 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 195 7.114 -8.638 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.243 -7.283 4.892 1.00 0.00 H new ATOM 927 N PRO A 196 10.419 -8.823 0.067 1.00 0.00 N ATOM 928 CA PRO A 196 10.179 -9.630 -1.139 1.00 0.00 C ATOM 929 C PRO A 196 8.958 -10.539 -1.014 1.00 0.00 C ATOM 930 O PRO A 196 8.155 -10.642 -1.944 1.00 0.00 O ATOM 931 CB PRO A 196 11.460 -10.467 -1.293 1.00 0.00 C ATOM 932 CG PRO A 196 12.238 -10.255 -0.038 1.00 0.00 C ATOM 933 CD PRO A 196 11.814 -8.923 0.503 1.00 0.00 C ATOM 0 HA PRO A 196 9.968 -8.996 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.223 -11.522 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.031 -10.150 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.037 -11.048 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.309 -10.270 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.902 -8.881 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.422 -8.112 0.102 1.00 0.00 H new ATOM 941 N ASP A 197 8.813 -11.167 0.146 1.00 0.00 N ATOM 942 CA ASP A 197 7.694 -12.078 0.389 1.00 0.00 C ATOM 943 C ASP A 197 6.364 -11.337 0.284 1.00 0.00 C ATOM 944 O ASP A 197 5.484 -11.728 -0.487 1.00 0.00 O ATOM 945 CB ASP A 197 7.822 -12.739 1.765 1.00 0.00 C ATOM 946 CG ASP A 197 6.604 -13.568 2.129 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.308 -14.548 1.412 1.00 0.00 O ATOM 948 OD2 ASP A 197 5.945 -13.252 3.144 1.00 0.00 O ATOM 0 H ASP A 197 9.453 -11.065 0.934 1.00 0.00 H new ATOM 0 HA ASP A 197 7.721 -12.856 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 197 8.707 -13.375 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.972 -11.969 2.522 1.00 0.00 H new ATOM 954 N CYS A 198 6.242 -10.249 1.032 1.00 0.00 N ATOM 955 CA CYS A 198 5.036 -9.431 1.011 1.00 0.00 C ATOM 956 C CYS A 198 4.837 -8.820 -0.374 1.00 0.00 C ATOM 957 O CYS A 198 3.725 -8.802 -0.903 1.00 0.00 O ATOM 958 CB CYS A 198 5.134 -8.333 2.075 1.00 0.00 C ATOM 959 SG CYS A 198 3.683 -7.264 2.192 1.00 0.00 S ATOM 0 H CYS A 198 6.967 -9.911 1.664 1.00 0.00 H new ATOM 0 HA CYS A 198 4.174 -10.060 1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.303 -8.800 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 198 6.007 -7.716 1.862 1.00 0.00 H new ATOM 0 HG CYS A 198 3.984 -6.197 2.871 1.00 0.00 H new ATOM 965 N LYS A 199 5.932 -8.353 -0.964 1.00 0.00 N ATOM 966 CA LYS A 199 5.910 -7.750 -2.291 1.00 0.00 C ATOM 967 C LYS A 199 5.351 -8.727 -3.324 1.00 0.00 C ATOM 968 O LYS A 199 4.587 -8.340 -4.207 1.00 0.00 O ATOM 969 CB LYS A 199 7.325 -7.308 -2.683 1.00 0.00 C ATOM 970 CG LYS A 199 7.415 -6.669 -4.060 1.00 0.00 C ATOM 971 CD LYS A 199 8.813 -6.137 -4.340 1.00 0.00 C ATOM 972 CE LYS A 199 9.204 -5.056 -3.344 1.00 0.00 C ATOM 973 NZ LYS A 199 10.492 -4.399 -3.689 1.00 0.00 N ATOM 0 H LYS A 199 6.858 -8.382 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 199 5.257 -6.877 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.692 -6.599 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 199 7.987 -8.174 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.145 -7.402 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.694 -5.855 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.532 -6.955 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.855 -5.734 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.416 -4.304 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.279 -5.494 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 10.662 -3.605 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.267 -5.088 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 10.450 -4.044 -4.666 1.00 0.00 H new ATOM 987 N THR A 200 5.722 -9.994 -3.197 1.00 0.00 N ATOM 988 CA THR A 200 5.234 -11.032 -4.095 1.00 0.00 C ATOM 989 C THR A 200 3.713 -11.164 -3.986 1.00 0.00 C ATOM 990 O THR A 200 3.013 -11.311 -4.994 1.00 0.00 O ATOM 991 CB THR A 200 5.907 -12.388 -3.787 1.00 0.00 C ATOM 992 OG1 THR A 200 7.331 -12.271 -3.947 1.00 0.00 O ATOM 993 CG2 THR A 200 5.384 -13.490 -4.698 1.00 0.00 C ATOM 0 H THR A 200 6.362 -10.329 -2.477 1.00 0.00 H new ATOM 0 HA THR A 200 5.490 -10.743 -5.114 1.00 0.00 H new ATOM 0 HB THR A 200 5.668 -12.654 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.692 -11.688 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 200 5.879 -14.430 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.309 -13.599 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.589 -13.231 -5.737 1.00 0.00 H new ATOM 1001 N ILE A 201 3.209 -11.077 -2.763 1.00 0.00 N ATOM 1002 CA ILE A 201 1.775 -11.146 -2.517 1.00 0.00 C ATOM 1003 C ILE A 201 1.074 -9.920 -3.099 1.00 0.00 C ATOM 1004 O ILE A 201 0.042 -10.034 -3.764 1.00 0.00 O ATOM 1005 CB ILE A 201 1.468 -11.236 -1.008 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.260 -12.382 -0.370 1.00 0.00 C ATOM 1007 CG2 ILE A 201 -0.026 -11.426 -0.781 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.116 -12.452 1.136 1.00 0.00 C ATOM 0 H ILE A 201 3.774 -10.958 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 201 1.403 -12.047 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 201 1.772 -10.302 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 201 1.930 -13.326 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.315 -12.268 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 201 -0.227 -11.488 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.569 -10.580 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.353 -12.346 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.703 -13.286 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.474 -11.523 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.067 -12.597 1.395 1.00 0.00 H new ATOM 1020 N LEU A 202 1.661 -8.752 -2.856 1.00 0.00 N ATOM 1021 CA LEU A 202 1.117 -7.485 -3.344 1.00 0.00 C ATOM 1022 C LEU A 202 1.002 -7.488 -4.866 1.00 0.00 C ATOM 1023 O LEU A 202 0.043 -6.958 -5.432 1.00 0.00 O ATOM 1024 CB LEU A 202 2.009 -6.319 -2.901 1.00 0.00 C ATOM 1025 CG LEU A 202 2.250 -6.210 -1.392 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.218 -5.080 -1.085 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.942 -6.002 -0.650 1.00 0.00 C ATOM 0 H LEU A 202 2.522 -8.655 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 202 0.121 -7.363 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 202 2.974 -6.412 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.560 -5.388 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 202 2.692 -7.147 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.376 -5.019 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.169 -5.271 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.804 -4.138 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.138 -5.928 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.469 -5.083 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.278 -6.846 -0.839 1.00 0.00 H new ATOM 1039 N LYS A 203 1.986 -8.085 -5.527 1.00 0.00 N ATOM 1040 CA LYS A 203 2.001 -8.144 -6.984 1.00 0.00 C ATOM 1041 C LYS A 203 0.996 -9.163 -7.515 1.00 0.00 C ATOM 1042 O LYS A 203 0.451 -8.996 -8.607 1.00 0.00 O ATOM 1043 CB LYS A 203 3.398 -8.491 -7.496 1.00 0.00 C ATOM 1044 CG LYS A 203 4.450 -7.440 -7.186 1.00 0.00 C ATOM 1045 CD LYS A 203 5.783 -7.772 -7.845 1.00 0.00 C ATOM 1046 CE LYS A 203 5.835 -7.328 -9.304 1.00 0.00 C ATOM 1047 NZ LYS A 203 4.734 -7.901 -10.130 1.00 0.00 N ATOM 0 H LYS A 203 2.784 -8.535 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 203 1.717 -7.157 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.708 -9.440 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.352 -8.637 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.105 -6.466 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.585 -7.366 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.589 -7.290 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.956 -8.847 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.786 -6.240 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.793 -7.621 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 4.949 -7.764 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 4.643 -8.918 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 3.841 -7.421 -9.899 1.00 0.00 H new ATOM 1061 N ALA A 204 0.754 -10.215 -6.740 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.178 -11.263 -7.144 1.00 0.00 C ATOM 1063 C ALA A 204 -1.607 -10.743 -7.127 1.00 0.00 C ATOM 1064 O ALA A 204 -2.469 -11.214 -7.874 1.00 0.00 O ATOM 1065 CB ALA A 204 -0.037 -12.480 -6.242 1.00 0.00 C ATOM 0 H ALA A 204 1.189 -10.365 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 204 0.063 -11.564 -8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.740 -13.251 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.980 -12.867 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.250 -12.196 -5.212 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.852 -9.775 -6.261 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.131 -9.092 -6.218 1.00 0.00 C ATOM 1073 C LEU A 205 -3.201 -8.045 -7.321 1.00 0.00 C ATOM 1074 O LEU A 205 -4.172 -7.986 -8.081 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.322 -8.434 -4.855 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.570 -9.402 -3.703 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.974 -8.855 -2.421 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -5.060 -9.633 -3.525 1.00 0.00 C ATOM 0 H LEU A 205 -1.175 -9.443 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.928 -9.819 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.437 -7.840 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -4.162 -7.742 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.090 -10.352 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -3.158 -9.555 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.900 -8.720 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.435 -7.896 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -5.225 -10.326 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.552 -8.685 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -5.475 -10.054 -4.441 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.157 -7.235 -7.409 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.084 -6.214 -8.434 1.00 0.00 C ATOM 1092 C GLY A 206 -2.851 -4.965 -8.058 1.00 0.00 C ATOM 1093 O GLY A 206 -3.522 -4.936 -7.025 1.00 0.00 O ATOM 0 H GLY A 206 -1.352 -7.267 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.040 -5.956 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.479 -6.612 -9.369 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.772 -3.911 -8.886 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.498 -2.654 -8.655 1.00 0.00 C ATOM 1099 C PRO A 207 -5.016 -2.827 -8.683 1.00 0.00 C ATOM 1100 O PRO A 207 -5.761 -1.908 -8.343 1.00 0.00 O ATOM 1101 CB PRO A 207 -3.055 -1.755 -9.815 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.518 -2.681 -10.851 1.00 0.00 C ATOM 1103 CD PRO A 207 -1.945 -3.850 -10.106 1.00 0.00 C ATOM 0 HA PRO A 207 -3.275 -2.249 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.892 -1.174 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -2.295 -1.043 -9.492 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.305 -3.001 -11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.754 -2.190 -11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.015 -4.770 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -0.891 -3.700 -9.871 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.470 -4.003 -9.103 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.893 -4.305 -9.155 1.00 0.00 C ATOM 1113 C ALA A 208 -7.454 -4.545 -7.756 1.00 0.00 C ATOM 1114 O ALA A 208 -8.663 -4.459 -7.535 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.137 -5.512 -10.040 1.00 0.00 C ATOM 0 H ALA A 208 -4.868 -4.766 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.411 -3.445 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.205 -5.730 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.779 -5.303 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.603 -6.373 -9.637 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.573 -4.850 -6.816 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.970 -5.041 -5.432 1.00 0.00 C ATOM 1123 C ALA A 209 -6.577 -3.815 -4.620 1.00 0.00 C ATOM 1124 O ALA A 209 -5.633 -3.114 -4.974 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.328 -6.297 -4.866 1.00 0.00 C ATOM 0 H ALA A 209 -5.575 -4.971 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.051 -5.166 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.635 -6.427 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.645 -7.162 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.243 -6.205 -4.915 1.00 0.00 H new ATOM 1131 N THR A 210 -7.294 -3.560 -3.536 1.00 0.00 N ATOM 1132 CA THR A 210 -7.090 -2.340 -2.770 1.00 0.00 C ATOM 1133 C THR A 210 -6.248 -2.608 -1.522 1.00 0.00 C ATOM 1134 O THR A 210 -5.908 -3.758 -1.236 1.00 0.00 O ATOM 1135 CB THR A 210 -8.437 -1.685 -2.377 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.212 -0.437 -1.704 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.257 -2.604 -1.483 1.00 0.00 C ATOM 0 H THR A 210 -8.018 -4.177 -3.169 1.00 0.00 H new ATOM 0 HA THR A 210 -6.549 -1.644 -3.410 1.00 0.00 H new ATOM 0 HB THR A 210 -8.995 -1.505 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.073 -0.035 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.197 -2.116 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.465 -3.535 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.698 -2.820 -0.573 1.00 0.00 H new ATOM 1145 N LEU A 211 -5.922 -1.551 -0.786 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.077 -1.657 0.399 1.00 0.00 C ATOM 1147 C LEU A 211 -5.654 -2.663 1.389 1.00 0.00 C ATOM 1148 O LEU A 211 -4.929 -3.490 1.937 1.00 0.00 O ATOM 1149 CB LEU A 211 -4.935 -0.292 1.076 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.029 -0.275 2.308 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.562 -0.320 1.908 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.314 0.947 3.159 1.00 0.00 C ATOM 0 H LEU A 211 -6.234 -0.602 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.094 -2.004 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.547 0.420 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -5.926 0.058 1.367 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.243 -1.166 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -1.940 -0.307 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.367 -1.232 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.327 0.546 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.661 0.943 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.133 1.848 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.354 0.929 3.485 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.969 -2.598 1.585 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.673 -3.486 2.504 1.00 0.00 C ATOM 1166 C GLU A 212 -7.372 -4.950 2.184 1.00 0.00 C ATOM 1167 O GLU A 212 -7.167 -5.773 3.085 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.176 -3.232 2.397 1.00 0.00 C ATOM 1169 CG GLU A 212 -10.000 -3.989 3.418 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.480 -3.965 3.105 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.934 -3.045 2.396 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -12.203 -4.876 3.559 1.00 0.00 O ATOM 0 H GLU A 212 -7.575 -1.928 1.111 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.333 -3.282 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.363 -2.164 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.511 -3.508 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.658 -5.023 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.834 -3.558 4.405 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.327 -5.261 0.894 1.00 0.00 N ATOM 1181 CA GLU A 213 -7.030 -6.609 0.443 1.00 0.00 C ATOM 1182 C GLU A 213 -5.592 -6.970 0.786 1.00 0.00 C ATOM 1183 O GLU A 213 -5.314 -8.075 1.233 1.00 0.00 O ATOM 1184 CB GLU A 213 -7.259 -6.737 -1.065 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.659 -6.339 -1.506 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.743 -7.080 -0.749 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -10.346 -6.480 0.164 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.994 -8.263 -1.061 1.00 0.00 O ATOM 0 H GLU A 213 -7.494 -4.593 0.142 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.701 -7.299 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.532 -6.115 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -7.072 -7.768 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.790 -5.266 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.769 -6.534 -2.573 1.00 0.00 H new ATOM 1196 N MET A 214 -4.691 -6.013 0.595 1.00 0.00 N ATOM 1197 CA MET A 214 -3.272 -6.204 0.898 1.00 0.00 C ATOM 1198 C MET A 214 -3.076 -6.507 2.380 1.00 0.00 C ATOM 1199 O MET A 214 -2.297 -7.387 2.756 1.00 0.00 O ATOM 1200 CB MET A 214 -2.480 -4.948 0.525 1.00 0.00 C ATOM 1201 CG MET A 214 -2.750 -4.459 -0.884 1.00 0.00 C ATOM 1202 SD MET A 214 -2.258 -5.651 -2.139 1.00 0.00 S ATOM 1203 CE MET A 214 -3.305 -5.150 -3.498 1.00 0.00 C ATOM 0 H MET A 214 -4.918 -5.089 0.229 1.00 0.00 H new ATOM 0 HA MET A 214 -2.908 -7.049 0.313 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.722 -4.153 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.415 -5.155 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.813 -4.242 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.216 -3.523 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.057 -5.736 -4.383 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.349 -5.317 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.148 -4.092 -3.707 1.00 0.00 H new ATOM 1213 N MET A 215 -3.805 -5.771 3.214 1.00 0.00 N ATOM 1214 CA MET A 215 -3.737 -5.930 4.663 1.00 0.00 C ATOM 1215 C MET A 215 -4.110 -7.352 5.064 1.00 0.00 C ATOM 1216 O MET A 215 -3.496 -7.946 5.948 1.00 0.00 O ATOM 1217 CB MET A 215 -4.690 -4.941 5.345 1.00 0.00 C ATOM 1218 CG MET A 215 -4.494 -3.496 4.910 1.00 0.00 C ATOM 1219 SD MET A 215 -2.906 -2.807 5.406 1.00 0.00 S ATOM 1220 CE MET A 215 -3.177 -2.613 7.160 1.00 0.00 C ATOM 0 H MET A 215 -4.457 -5.050 2.906 1.00 0.00 H new ATOM 0 HA MET A 215 -2.714 -5.729 4.982 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.717 -5.237 5.134 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.555 -5.007 6.425 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.585 -3.436 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.293 -2.886 5.331 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.277 -2.211 7.625 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.008 -1.928 7.326 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.411 -3.582 7.601 1.00 0.00 H new ATOM 1230 N THR A 216 -5.118 -7.893 4.399 1.00 0.00 N ATOM 1231 CA THR A 216 -5.593 -9.241 4.674 1.00 0.00 C ATOM 1232 C THR A 216 -4.716 -10.277 3.968 1.00 0.00 C ATOM 1233 O THR A 216 -4.539 -11.394 4.453 1.00 0.00 O ATOM 1234 CB THR A 216 -7.057 -9.397 4.217 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.836 -8.287 4.696 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.655 -10.698 4.733 1.00 0.00 C ATOM 0 H THR A 216 -5.628 -7.414 3.657 1.00 0.00 H new ATOM 0 HA THR A 216 -5.536 -9.409 5.749 1.00 0.00 H new ATOM 0 HB THR A 216 -7.074 -9.417 3.127 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.628 -7.489 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.688 -10.782 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 216 -7.079 -11.540 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.627 -10.704 5.823 1.00 0.00 H new ATOM 1244 N ALA A 217 -4.150 -9.887 2.832 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.299 -10.771 2.045 1.00 0.00 C ATOM 1246 C ALA A 217 -2.033 -11.143 2.805 1.00 0.00 C ATOM 1247 O ALA A 217 -1.627 -12.300 2.823 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.947 -10.118 0.718 1.00 0.00 C ATOM 0 H ALA A 217 -4.267 -8.956 2.433 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.855 -11.689 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.311 -10.789 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.860 -9.913 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.417 -9.184 0.902 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.424 -10.155 3.450 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.216 -10.384 4.235 1.00 0.00 C ATOM 1256 C CYS A 218 -0.517 -11.266 5.451 1.00 0.00 C ATOM 1257 O CYS A 218 0.390 -11.818 6.078 1.00 0.00 O ATOM 1258 CB CYS A 218 0.378 -9.043 4.682 1.00 0.00 C ATOM 1259 SG CYS A 218 1.945 -9.172 5.583 1.00 0.00 S ATOM 0 H CYS A 218 -1.747 -9.187 3.445 1.00 0.00 H new ATOM 0 HA CYS A 218 0.511 -10.904 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.531 -8.417 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.348 -8.532 5.314 1.00 0.00 H new ATOM 0 HG CYS A 218 2.003 -10.320 6.191 1.00 0.00 H new ATOM 1472 N THR B 2 -2.825 4.565 -3.411 1.00 0.00 N ATOM 1473 CA THR B 2 -2.051 5.732 -3.068 1.00 0.00 C ATOM 1474 C THR B 2 -2.373 6.160 -1.636 1.00 0.00 C ATOM 1475 O THR B 2 -3.101 5.455 -0.933 1.00 0.00 O ATOM 1476 CB THR B 2 -2.325 6.887 -4.073 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.124 7.919 -3.478 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.059 6.391 -5.313 1.00 0.00 C ATOM 0 HA THR B 2 -0.991 5.487 -3.128 1.00 0.00 H new ATOM 0 HB THR B 2 -1.348 7.282 -4.353 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.465 8.514 -4.178 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.233 7.226 -5.991 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.455 5.635 -5.815 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.015 5.956 -5.021 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.824 7.287 -1.197 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.156 7.841 0.111 1.00 0.00 C ATOM 1488 C PHE B 3 -3.668 8.004 0.234 1.00 0.00 C ATOM 1489 O PHE B 3 -4.228 7.870 1.324 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.457 9.188 0.311 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.643 9.762 1.686 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.270 9.035 2.804 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -2.193 11.022 1.863 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.439 9.549 4.070 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.365 11.542 3.132 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.987 10.802 4.236 1.00 0.00 C ATOM 0 H PHE B 3 -1.147 7.835 -1.728 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.810 7.156 0.885 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.391 9.067 0.118 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.836 9.898 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.841 8.052 2.681 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.490 11.602 1.002 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.142 8.970 4.932 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.794 12.525 3.260 1.00 0.00 H new ATOM 0 HZ PHE B 3 -2.121 11.206 5.229 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.012 5.996 -0.993 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.521 4.687 -0.587 1.00 0.00 C ATOM 1528 C ASP B 5 -6.208 4.413 0.878 1.00 0.00 C ATOM 1529 O ASP B 5 -7.000 3.793 1.585 1.00 0.00 O ATOM 1530 CB ASP B 5 -5.928 3.580 -1.462 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.302 3.726 -2.925 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -5.484 4.274 -3.697 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.405 3.288 -3.312 1.00 0.00 O ATOM 0 HA ASP B 5 -7.603 4.696 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -4.842 3.589 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -6.272 2.612 -1.098 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.049 4.885 1.325 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.655 4.757 2.723 1.00 0.00 C ATOM 1541 C LEU B 6 -5.654 5.479 3.626 1.00 0.00 C ATOM 1542 O LEU B 6 -6.110 4.934 4.635 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.252 5.334 2.940 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.226 4.354 3.512 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -2.807 3.625 4.710 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -1.766 3.370 2.443 1.00 0.00 C ATOM 0 H LEU B 6 -4.364 5.361 0.737 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.645 3.697 2.979 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -2.880 5.710 1.987 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.328 6.189 3.612 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.354 4.917 3.844 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.067 2.931 5.108 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.077 4.348 5.480 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.695 3.072 4.404 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.037 2.682 2.871 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.623 2.807 2.074 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.309 3.916 1.618 1.00 0.00 H new ATOM 1558 N LEU B 7 -5.989 6.706 3.250 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.959 7.507 3.988 1.00 0.00 C ATOM 1560 C LEU B 7 -8.316 6.816 4.050 1.00 0.00 C ATOM 1561 O LEU B 7 -8.877 6.654 5.134 1.00 0.00 O ATOM 1562 CB LEU B 7 -7.104 8.897 3.358 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.978 9.887 3.692 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -6.110 11.152 2.863 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.995 10.241 5.173 1.00 0.00 C ATOM 0 H LEU B 7 -5.600 7.172 2.431 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.587 7.618 5.007 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.157 8.784 2.275 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -8.052 9.327 3.680 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.029 9.406 3.453 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.302 11.839 3.116 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.054 10.900 1.804 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -7.069 11.626 3.073 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -5.190 10.943 5.389 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.952 10.697 5.427 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.856 9.336 5.765 1.00 0.00 H new ATOM 1597 N TYR B 9 -8.990 3.833 3.770 1.00 0.00 N ATOM 1598 CA TYR B 9 -8.870 2.595 4.534 1.00 0.00 C ATOM 1599 C TYR B 9 -9.079 2.843 6.025 1.00 0.00 C ATOM 1600 O TYR B 9 -9.784 2.096 6.694 1.00 0.00 O ATOM 1601 CB TYR B 9 -7.505 1.940 4.298 1.00 0.00 C ATOM 1602 CG TYR B 9 -7.229 0.764 5.213 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -7.811 -0.478 4.985 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -6.394 0.906 6.314 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -7.565 -1.544 5.830 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -6.145 -0.154 7.163 1.00 0.00 C ATOM 1607 CZ TYR B 9 -6.732 -1.377 6.915 1.00 0.00 C ATOM 1608 OH TYR B 9 -6.486 -2.437 7.759 1.00 0.00 O ATOM 0 HA TYR B 9 -9.650 1.918 4.186 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.446 1.605 3.262 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -6.724 2.688 4.436 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -8.465 -0.612 4.136 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -5.932 1.862 6.509 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -8.024 -2.503 5.641 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -5.495 -0.026 8.016 1.00 0.00 H new ATOM 0 HH TYR B 9 -5.878 -2.153 8.473 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.428 3.864 6.554 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.592 4.217 7.958 1.00 0.00 C ATOM 1620 C TYR B 10 -9.948 4.868 8.221 1.00 0.00 C ATOM 1621 O TYR B 10 -10.563 4.638 9.265 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.447 5.117 8.421 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.162 4.354 8.660 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.257 4.126 7.633 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.867 3.844 9.918 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.092 3.417 7.854 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.706 3.133 10.144 1.00 0.00 C ATOM 1628 CZ TYR B 10 -3.822 2.922 9.109 1.00 0.00 C ATOM 1629 OH TYR B 10 -2.669 2.210 9.328 1.00 0.00 O ATOM 0 H TYR B 10 -7.783 4.462 6.038 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.561 3.296 8.540 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.272 5.889 7.672 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.739 5.625 9.340 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.467 4.509 6.645 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.557 4.007 10.732 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.396 3.252 7.045 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.491 2.744 11.128 1.00 0.00 H new ATOM 0 HH TYR B 10 -2.885 1.372 9.788 1.00 0.00 H new