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 155 GLN : amide:sc= 0.526 K(o=0.85,f=-2.8) USER MOD Set 1.2: A 198 CYS SG : rot -22:sc= 0.327 USER MOD Set 2.1: A 192 GLN : amide:sc= 0.356 K(o=0.68,f=0) USER MOD Set 2.2: A 193 ASN : amide:sc= 0.322 K(o=0.68,f=-0.77) USER MOD Set 3.1: A 183 ASN :FLIP amide:sc= -1.21 F(o=-3.8!,f=-1.2) USER MOD Set 3.2: B 2 THR OG1 : rot -178:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -83:sc= 0.886 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 170 LYS NZ :NH3+ 171:sc= 0.4 (180deg=0.196) USER MOD Single : A 171 THR OG1 : rot 73:sc= 0.703 USER MOD Single : A 176 GLN :FLIP amide:sc= -0.153 F(o=-1.3,f=-0.15) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 166:sc= 0.978 (180deg=0.84) USER MOD Single : A 186 THR OG1 : rot 106:sc= 0.529 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0.185 K(o=0.19,f=-5.2!) USER MOD Single : A 199 LYS NZ :NH3+ 153:sc= 0.97 (180deg=0.504) USER MOD Single : A 200 THR OG1 : rot 64:sc= 1.15 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 120:sc= 0.185 USER MOD Single : A 214 MET CE :methyl 159:sc= -1.67 (180deg=-3.27!) USER MOD Single : A 215 MET CE :methyl -163:sc= -0.151 (180deg=-0.468) USER MOD Single : A 216 THR OG1 : rot 80:sc= 0.441 USER MOD Single : A 218 CYS SG : rot -22:sc= 0.71 USER MOD Single : B 9 TYR OH : rot 18:sc= 1.23 USER MOD Single : B 10 TYR OH : rot 180:sc= -0.0952 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.859 9.079 4.751 1.00 0.00 N ATOM 171 CA ILE A 150 9.037 8.067 4.096 1.00 0.00 C ATOM 172 C ILE A 150 9.889 7.116 3.249 1.00 0.00 C ATOM 173 O ILE A 150 9.480 5.995 2.948 1.00 0.00 O ATOM 174 CB ILE A 150 7.944 8.723 3.219 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.874 7.699 2.848 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.544 9.343 1.961 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.109 7.169 4.042 1.00 0.00 C ATOM 0 HA ILE A 150 8.554 7.485 4.881 1.00 0.00 H new ATOM 0 HB ILE A 150 7.481 9.521 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.172 8.155 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.345 6.865 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.752 9.796 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 150 9.269 10.107 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 150 9.041 8.569 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.365 6.446 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.800 6.684 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.610 7.994 4.550 1.00 0.00 H new ATOM 189 N LEU A 151 11.087 7.560 2.897 1.00 0.00 N ATOM 190 CA LEU A 151 11.989 6.762 2.073 1.00 0.00 C ATOM 191 C LEU A 151 12.704 5.714 2.916 1.00 0.00 C ATOM 192 O LEU A 151 13.305 4.777 2.390 1.00 0.00 O ATOM 193 CB LEU A 151 13.020 7.662 1.393 1.00 0.00 C ATOM 194 CG LEU A 151 12.446 8.728 0.460 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.556 9.603 -0.097 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.668 8.080 -0.672 1.00 0.00 C ATOM 0 H LEU A 151 11.459 8.470 3.169 1.00 0.00 H new ATOM 0 HA LEU A 151 11.395 6.256 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.609 8.158 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.705 7.035 0.822 1.00 0.00 H new ATOM 0 HG LEU A 151 11.765 9.356 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.128 10.356 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.078 10.096 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.260 8.986 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.266 8.853 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.330 7.429 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.848 7.492 -0.260 1.00 0.00 H new ATOM 208 N ASP A 152 12.649 5.886 4.227 1.00 0.00 N ATOM 209 CA ASP A 152 13.285 4.952 5.144 1.00 0.00 C ATOM 210 C ASP A 152 12.253 4.078 5.828 1.00 0.00 C ATOM 211 O ASP A 152 12.584 3.256 6.684 1.00 0.00 O ATOM 212 CB ASP A 152 14.129 5.694 6.180 1.00 0.00 C ATOM 213 CG ASP A 152 15.458 6.138 5.611 1.00 0.00 C ATOM 214 OD1 ASP A 152 16.393 5.309 5.573 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.577 7.307 5.183 1.00 0.00 O ATOM 0 H ASP A 152 12.170 6.664 4.681 1.00 0.00 H new ATOM 0 HA ASP A 152 13.945 4.309 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.580 6.564 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 152 14.300 5.046 7.040 1.00 0.00 H new ATOM 221 N ILE A 153 10.999 4.249 5.438 1.00 0.00 N ATOM 222 CA ILE A 153 9.925 3.423 5.970 1.00 0.00 C ATOM 223 C ILE A 153 9.892 2.086 5.232 1.00 0.00 C ATOM 224 O ILE A 153 9.207 1.928 4.221 1.00 0.00 O ATOM 225 CB ILE A 153 8.548 4.120 5.870 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.590 5.495 6.546 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.466 3.255 6.507 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.950 5.445 8.017 1.00 0.00 C ATOM 0 H ILE A 153 10.700 4.949 4.758 1.00 0.00 H new ATOM 0 HA ILE A 153 10.127 3.257 7.028 1.00 0.00 H new ATOM 0 HB ILE A 153 8.310 4.258 4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.314 6.123 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.617 5.973 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.503 3.760 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.416 2.296 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.704 3.090 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.959 6.456 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 153 8.213 4.845 8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.937 4.998 8.135 1.00 0.00 H new ATOM 240 N ARG A 154 10.667 1.138 5.733 1.00 0.00 N ATOM 241 CA ARG A 154 10.776 -0.175 5.118 1.00 0.00 C ATOM 242 C ARG A 154 10.035 -1.214 5.953 1.00 0.00 C ATOM 243 O ARG A 154 9.919 -1.073 7.173 1.00 0.00 O ATOM 244 CB ARG A 154 12.254 -0.555 4.981 1.00 0.00 C ATOM 245 CG ARG A 154 12.490 -1.900 4.314 1.00 0.00 C ATOM 246 CD ARG A 154 13.969 -2.243 4.271 1.00 0.00 C ATOM 247 NE ARG A 154 14.219 -3.563 3.694 1.00 0.00 N ATOM 248 CZ ARG A 154 15.438 -4.053 3.471 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.514 -3.338 3.784 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.588 -5.264 2.953 1.00 0.00 N ATOM 0 H ARG A 154 11.235 1.255 6.572 1.00 0.00 H new ATOM 0 HA ARG A 154 10.322 -0.145 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.765 0.218 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.708 -0.568 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.950 -2.677 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.089 -1.881 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.497 -1.489 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.377 -2.208 5.281 1.00 0.00 H new ATOM 0 HE ARG A 154 13.415 -4.141 3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.408 -2.411 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.445 -3.716 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.768 -5.825 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.523 -5.634 2.784 1.00 0.00 H new ATOM 264 N GLN A 155 9.521 -2.240 5.288 1.00 0.00 N ATOM 265 CA GLN A 155 8.823 -3.325 5.962 1.00 0.00 C ATOM 266 C GLN A 155 9.798 -4.444 6.315 1.00 0.00 C ATOM 267 O GLN A 155 10.610 -4.856 5.484 1.00 0.00 O ATOM 268 CB GLN A 155 7.707 -3.880 5.069 1.00 0.00 C ATOM 269 CG GLN A 155 6.956 -5.048 5.694 1.00 0.00 C ATOM 270 CD GLN A 155 6.019 -5.729 4.719 1.00 0.00 C ATOM 271 OE1 GLN A 155 6.261 -5.739 3.514 1.00 0.00 O ATOM 272 NE2 GLN A 155 4.962 -6.331 5.237 1.00 0.00 N ATOM 0 H GLN A 155 9.576 -2.343 4.275 1.00 0.00 H new ATOM 0 HA GLN A 155 8.383 -2.931 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.000 -3.081 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.137 -4.200 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.674 -5.776 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.385 -4.691 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 155 4.799 -6.298 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.310 -6.828 4.630 1.00 0.00 H new ATOM 281 N GLY A 156 9.711 -4.928 7.546 1.00 0.00 N ATOM 282 CA GLY A 156 10.551 -6.030 7.970 1.00 0.00 C ATOM 283 C GLY A 156 10.057 -7.357 7.421 1.00 0.00 C ATOM 284 O GLY A 156 8.877 -7.486 7.094 1.00 0.00 O ATOM 0 H GLY A 156 9.073 -4.577 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.574 -5.857 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.573 -6.072 9.059 1.00 0.00 H new ATOM 288 N PRO A 157 10.940 -8.365 7.316 1.00 0.00 N ATOM 289 CA PRO A 157 10.593 -9.678 6.752 1.00 0.00 C ATOM 290 C PRO A 157 9.459 -10.370 7.510 1.00 0.00 C ATOM 291 O PRO A 157 8.616 -11.036 6.909 1.00 0.00 O ATOM 292 CB PRO A 157 11.891 -10.485 6.869 1.00 0.00 C ATOM 293 CG PRO A 157 12.735 -9.745 7.850 1.00 0.00 C ATOM 294 CD PRO A 157 12.352 -8.301 7.724 1.00 0.00 C ATOM 0 HA PRO A 157 10.228 -9.586 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 157 11.692 -11.501 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.391 -10.566 5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.562 -10.107 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.795 -9.887 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.476 -7.767 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.963 -7.785 6.983 1.00 0.00 H new ATOM 302 N LYS A 158 9.442 -10.211 8.830 1.00 0.00 N ATOM 303 CA LYS A 158 8.391 -10.799 9.657 1.00 0.00 C ATOM 304 C LYS A 158 7.351 -9.755 10.037 1.00 0.00 C ATOM 305 O LYS A 158 6.421 -10.036 10.793 1.00 0.00 O ATOM 306 CB LYS A 158 8.971 -11.389 10.943 1.00 0.00 C ATOM 307 CG LYS A 158 9.935 -12.545 10.738 1.00 0.00 C ATOM 308 CD LYS A 158 10.333 -13.143 12.078 1.00 0.00 C ATOM 309 CE LYS A 158 11.388 -14.227 11.940 1.00 0.00 C ATOM 310 NZ LYS A 158 11.767 -14.781 13.267 1.00 0.00 N ATOM 0 H LYS A 158 10.142 -9.681 9.350 1.00 0.00 H new ATOM 0 HA LYS A 158 7.924 -11.588 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.486 -10.598 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.149 -11.728 11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.470 -13.309 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.822 -12.198 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.711 -12.353 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.450 -13.559 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.010 -15.027 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.271 -13.818 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 12.489 -15.519 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 12.149 -14.020 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.928 -15.192 13.724 1.00 0.00 H new ATOM 324 N GLU A 159 7.506 -8.554 9.506 1.00 0.00 N ATOM 325 CA GLU A 159 6.682 -7.431 9.912 1.00 0.00 C ATOM 326 C GLU A 159 5.355 -7.418 9.164 1.00 0.00 C ATOM 327 O GLU A 159 5.319 -7.431 7.932 1.00 0.00 O ATOM 328 CB GLU A 159 7.447 -6.131 9.685 1.00 0.00 C ATOM 329 CG GLU A 159 6.661 -4.885 10.028 1.00 0.00 C ATOM 330 CD GLU A 159 7.549 -3.670 10.130 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.945 -3.120 9.082 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.863 -3.263 11.265 1.00 0.00 O ATOM 0 H GLU A 159 8.198 -8.332 8.790 1.00 0.00 H new ATOM 0 HA GLU A 159 6.453 -7.531 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.358 -6.149 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.752 -6.079 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.899 -4.715 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.139 -5.034 10.973 1.00 0.00 H new ATOM 340 N PRO A 160 4.245 -7.414 9.913 1.00 0.00 N ATOM 341 CA PRO A 160 2.899 -7.363 9.342 1.00 0.00 C ATOM 342 C PRO A 160 2.677 -6.091 8.533 1.00 0.00 C ATOM 343 O PRO A 160 2.979 -4.986 8.986 1.00 0.00 O ATOM 344 CB PRO A 160 1.977 -7.387 10.569 1.00 0.00 C ATOM 345 CG PRO A 160 2.836 -6.974 11.714 1.00 0.00 C ATOM 346 CD PRO A 160 4.218 -7.457 11.385 1.00 0.00 C ATOM 0 HA PRO A 160 2.717 -8.186 8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.136 -6.705 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.560 -8.381 10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.821 -5.892 11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.481 -7.412 12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.984 -6.816 11.821 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.393 -8.464 11.762 1.00 0.00 H new ATOM 354 N PHE A 161 2.142 -6.269 7.331 1.00 0.00 N ATOM 355 CA PHE A 161 1.904 -5.169 6.402 1.00 0.00 C ATOM 356 C PHE A 161 0.984 -4.115 7.015 1.00 0.00 C ATOM 357 O PHE A 161 1.096 -2.932 6.708 1.00 0.00 O ATOM 358 CB PHE A 161 1.302 -5.718 5.103 1.00 0.00 C ATOM 359 CG PHE A 161 1.123 -4.693 4.020 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.213 -4.223 3.303 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.137 -4.209 3.710 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.047 -3.290 2.298 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.308 -3.273 2.708 1.00 0.00 C ATOM 364 CZ PHE A 161 0.784 -2.813 2.001 1.00 0.00 C ATOM 0 H PHE A 161 1.860 -7.181 6.972 1.00 0.00 H new ATOM 0 HA PHE A 161 2.856 -4.686 6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.943 -6.516 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.334 -6.166 5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.202 -4.590 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.996 -4.567 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.903 -2.933 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.296 -2.902 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.652 -2.082 1.217 1.00 0.00 H new ATOM 374 N ARG A 162 0.091 -4.551 7.896 1.00 0.00 N ATOM 375 CA ARG A 162 -0.840 -3.640 8.553 1.00 0.00 C ATOM 376 C ARG A 162 -0.116 -2.710 9.528 1.00 0.00 C ATOM 377 O ARG A 162 -0.449 -1.534 9.631 1.00 0.00 O ATOM 378 CB ARG A 162 -1.954 -4.417 9.266 1.00 0.00 C ATOM 379 CG ARG A 162 -1.460 -5.530 10.176 1.00 0.00 C ATOM 380 CD ARG A 162 -2.619 -6.204 10.889 1.00 0.00 C ATOM 381 NE ARG A 162 -2.196 -7.362 11.672 1.00 0.00 N ATOM 382 CZ ARG A 162 -2.697 -7.670 12.873 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.590 -6.873 13.449 1.00 0.00 N ATOM 384 NH2 ARG A 162 -2.294 -8.768 13.500 1.00 0.00 N ATOM 0 H ARG A 162 -0.008 -5.528 8.172 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.296 -3.021 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.547 -3.718 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.619 -4.846 8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.911 -6.267 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.764 -5.123 10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.106 -5.483 11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.361 -6.517 10.154 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.477 -7.971 11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.896 -6.023 12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.970 -7.111 14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.601 -9.378 13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.677 -9.002 14.416 1.00 0.00 H new ATOM 398 N ASP A 163 0.892 -3.234 10.221 1.00 0.00 N ATOM 399 CA ASP A 163 1.667 -2.430 11.165 1.00 0.00 C ATOM 400 C ASP A 163 2.630 -1.528 10.403 1.00 0.00 C ATOM 401 O ASP A 163 2.940 -0.415 10.831 1.00 0.00 O ATOM 402 CB ASP A 163 2.434 -3.333 12.137 1.00 0.00 C ATOM 403 CG ASP A 163 3.153 -2.553 13.224 1.00 0.00 C ATOM 404 OD1 ASP A 163 2.496 -1.757 13.930 1.00 0.00 O ATOM 405 OD2 ASP A 163 4.373 -2.758 13.403 1.00 0.00 O ATOM 0 H ASP A 163 1.191 -4.206 10.148 1.00 0.00 H new ATOM 0 HA ASP A 163 0.984 -1.810 11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.739 -4.034 12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.161 -3.924 11.580 1.00 0.00 H new ATOM 411 N TYR A 164 3.083 -2.017 9.256 1.00 0.00 N ATOM 412 CA TYR A 164 3.936 -1.240 8.374 1.00 0.00 C ATOM 413 C TYR A 164 3.163 -0.061 7.792 1.00 0.00 C ATOM 414 O TYR A 164 3.630 1.081 7.832 1.00 0.00 O ATOM 415 CB TYR A 164 4.482 -2.138 7.258 1.00 0.00 C ATOM 416 CG TYR A 164 5.057 -1.385 6.078 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.205 -0.617 6.207 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.443 -1.445 4.833 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.726 0.073 5.129 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.959 -0.761 3.749 1.00 0.00 C ATOM 421 CZ TYR A 164 6.098 -0.001 3.903 1.00 0.00 C ATOM 422 OH TYR A 164 6.612 0.686 2.827 1.00 0.00 O ATOM 0 H TYR A 164 2.871 -2.955 8.915 1.00 0.00 H new ATOM 0 HA TYR A 164 4.776 -0.844 8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.255 -2.784 7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.680 -2.787 6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.700 -0.557 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.547 -2.036 4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.620 0.667 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.472 -0.822 2.787 1.00 0.00 H new ATOM 0 HH TYR A 164 6.298 1.614 2.851 1.00 0.00 H new ATOM 432 N VAL A 165 1.976 -0.345 7.270 1.00 0.00 N ATOM 433 CA VAL A 165 1.118 0.677 6.690 1.00 0.00 C ATOM 434 C VAL A 165 0.711 1.715 7.725 1.00 0.00 C ATOM 435 O VAL A 165 0.649 2.906 7.413 1.00 0.00 O ATOM 436 CB VAL A 165 -0.135 0.049 6.039 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.302 1.022 6.004 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.191 -0.412 4.632 1.00 0.00 C ATOM 0 H VAL A 165 1.584 -1.286 7.237 1.00 0.00 H new ATOM 0 HA VAL A 165 1.695 1.180 5.914 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.432 -0.805 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.163 0.541 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.558 1.320 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.023 1.904 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.697 -0.854 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.517 0.441 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.988 -1.155 4.668 1.00 0.00 H new ATOM 448 N ASP A 166 0.450 1.273 8.952 1.00 0.00 N ATOM 449 CA ASP A 166 0.051 2.187 10.016 1.00 0.00 C ATOM 450 C ASP A 166 1.057 3.317 10.154 1.00 0.00 C ATOM 451 O ASP A 166 0.685 4.484 10.137 1.00 0.00 O ATOM 452 CB ASP A 166 -0.087 1.457 11.355 1.00 0.00 C ATOM 453 CG ASP A 166 -0.479 2.397 12.481 1.00 0.00 C ATOM 454 OD1 ASP A 166 0.419 3.025 13.086 1.00 0.00 O ATOM 455 OD2 ASP A 166 -1.687 2.521 12.771 1.00 0.00 O ATOM 0 H ASP A 166 0.507 0.294 9.232 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.921 2.600 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.836 0.670 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.857 0.971 11.601 1.00 0.00 H new ATOM 461 N ARG A 167 2.334 2.966 10.237 1.00 0.00 N ATOM 462 CA ARG A 167 3.389 3.963 10.382 1.00 0.00 C ATOM 463 C ARG A 167 3.554 4.751 9.093 1.00 0.00 C ATOM 464 O ARG A 167 3.652 5.977 9.112 1.00 0.00 O ATOM 465 CB ARG A 167 4.719 3.302 10.727 1.00 0.00 C ATOM 466 CG ARG A 167 4.675 2.396 11.942 1.00 0.00 C ATOM 467 CD ARG A 167 6.025 1.743 12.173 1.00 0.00 C ATOM 468 NE ARG A 167 6.570 1.184 10.936 1.00 0.00 N ATOM 469 CZ ARG A 167 6.993 -0.072 10.810 1.00 0.00 C ATOM 470 NH1 ARG A 167 6.936 -0.897 11.844 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.477 -0.503 9.649 1.00 0.00 N ATOM 0 H ARG A 167 2.664 2.002 10.207 1.00 0.00 H new ATOM 0 HA ARG A 167 3.100 4.634 11.191 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.055 2.721 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 167 5.464 4.080 10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.389 2.973 12.822 1.00 0.00 H new ATOM 0 HG3 ARG A 167 3.913 1.629 11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.721 2.477 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.925 0.953 12.917 1.00 0.00 H new ATOM 0 HE ARG A 167 6.630 1.794 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 167 6.568 -0.570 12.737 1.00 0.00 H new ATOM 0 HH12 ARG A 167 7.260 -1.859 11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.525 0.130 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 167 7.800 -1.466 9.557 1.00 0.00 H new ATOM 485 N PHE A 168 3.578 4.023 7.982 1.00 0.00 N ATOM 486 CA PHE A 168 3.760 4.612 6.662 1.00 0.00 C ATOM 487 C PHE A 168 2.724 5.714 6.426 1.00 0.00 C ATOM 488 O PHE A 168 3.061 6.832 6.036 1.00 0.00 O ATOM 489 CB PHE A 168 3.633 3.509 5.603 1.00 0.00 C ATOM 490 CG PHE A 168 4.049 3.920 4.222 1.00 0.00 C ATOM 491 CD1 PHE A 168 3.227 4.710 3.451 1.00 0.00 C ATOM 492 CD2 PHE A 168 5.260 3.504 3.693 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.597 5.088 2.182 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.637 3.876 2.416 1.00 0.00 C ATOM 495 CZ PHE A 168 4.801 4.672 1.658 1.00 0.00 C ATOM 0 H PHE A 168 3.472 3.009 7.972 1.00 0.00 H new ATOM 0 HA PHE A 168 4.750 5.063 6.593 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.237 2.656 5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.597 3.171 5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 168 2.278 5.038 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.916 2.883 4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.941 5.713 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.583 3.545 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 168 5.090 4.967 0.660 1.00 0.00 H new ATOM 505 N TYR A 169 1.467 5.383 6.687 1.00 0.00 N ATOM 506 CA TYR A 169 0.363 6.321 6.546 1.00 0.00 C ATOM 507 C TYR A 169 0.529 7.553 7.452 1.00 0.00 C ATOM 508 O TYR A 169 0.283 8.679 7.016 1.00 0.00 O ATOM 509 CB TYR A 169 -0.953 5.592 6.833 1.00 0.00 C ATOM 510 CG TYR A 169 -2.117 6.488 7.197 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.759 7.249 6.233 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.574 6.563 8.505 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.824 8.061 6.562 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.641 7.373 8.842 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.263 8.121 7.866 1.00 0.00 C ATOM 516 OH TYR A 169 -5.327 8.926 8.199 1.00 0.00 O ATOM 0 H TYR A 169 1.184 4.455 7.003 1.00 0.00 H new ATOM 0 HA TYR A 169 0.355 6.696 5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.226 5.007 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.789 4.886 7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.420 7.205 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.088 5.979 9.272 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.313 8.649 5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.986 7.420 9.864 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.507 8.850 9.159 1.00 0.00 H new ATOM 526 N LYS A 170 0.953 7.349 8.700 1.00 0.00 N ATOM 527 CA LYS A 170 1.159 8.472 9.621 1.00 0.00 C ATOM 528 C LYS A 170 2.275 9.369 9.096 1.00 0.00 C ATOM 529 O LYS A 170 2.157 10.597 9.097 1.00 0.00 O ATOM 530 CB LYS A 170 1.537 7.992 11.031 1.00 0.00 C ATOM 531 CG LYS A 170 0.647 6.899 11.595 1.00 0.00 C ATOM 532 CD LYS A 170 -0.794 7.344 11.765 1.00 0.00 C ATOM 533 CE LYS A 170 -1.697 6.163 12.095 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.212 5.400 13.277 1.00 0.00 N ATOM 0 H LYS A 170 1.159 6.431 9.094 1.00 0.00 H new ATOM 0 HA LYS A 170 0.220 9.021 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.565 7.630 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.512 8.846 11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 170 0.680 6.033 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 170 1.040 6.578 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.857 8.087 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -1.140 7.826 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -2.708 6.523 12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -1.753 5.498 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.930 4.703 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -0.329 4.908 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.037 6.055 14.065 1.00 0.00 H new ATOM 548 N THR A 171 3.356 8.738 8.642 1.00 0.00 N ATOM 549 CA THR A 171 4.500 9.456 8.105 1.00 0.00 C ATOM 550 C THR A 171 4.105 10.251 6.862 1.00 0.00 C ATOM 551 O THR A 171 4.456 11.420 6.733 1.00 0.00 O ATOM 552 CB THR A 171 5.655 8.489 7.768 1.00 0.00 C ATOM 553 OG1 THR A 171 5.980 7.704 8.927 1.00 0.00 O ATOM 554 CG2 THR A 171 6.891 9.249 7.306 1.00 0.00 C ATOM 0 H THR A 171 3.459 7.723 8.638 1.00 0.00 H new ATOM 0 HA THR A 171 4.844 10.150 8.872 1.00 0.00 H new ATOM 0 HB THR A 171 5.329 7.838 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.272 7.045 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.688 8.542 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.650 9.827 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.221 9.922 8.097 1.00 0.00 H new ATOM 562 N LEU A 172 3.351 9.620 5.963 1.00 0.00 N ATOM 563 CA LEU A 172 2.812 10.302 4.785 1.00 0.00 C ATOM 564 C LEU A 172 2.053 11.552 5.190 1.00 0.00 C ATOM 565 O LEU A 172 2.233 12.630 4.626 1.00 0.00 O ATOM 566 CB LEU A 172 1.848 9.392 4.036 1.00 0.00 C ATOM 567 CG LEU A 172 2.462 8.292 3.202 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.341 7.464 2.606 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.351 8.877 2.115 1.00 0.00 C ATOM 0 H LEU A 172 3.098 8.634 6.028 1.00 0.00 H new ATOM 0 HA LEU A 172 3.655 10.566 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 172 1.178 8.934 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.233 10.011 3.383 1.00 0.00 H new ATOM 0 HG LEU A 172 3.092 7.657 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 172 1.763 6.663 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 172 0.741 7.034 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 172 0.712 8.099 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 172 3.784 8.069 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.757 9.521 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.150 9.460 2.573 1.00 0.00 H new ATOM 581 N ARG A 173 1.200 11.389 6.183 1.00 0.00 N ATOM 582 CA ARG A 173 0.364 12.464 6.681 1.00 0.00 C ATOM 583 C ARG A 173 1.211 13.588 7.290 1.00 0.00 C ATOM 584 O ARG A 173 0.725 14.698 7.499 1.00 0.00 O ATOM 585 CB ARG A 173 -0.611 11.890 7.708 1.00 0.00 C ATOM 586 CG ARG A 173 -1.761 12.808 8.055 1.00 0.00 C ATOM 587 CD ARG A 173 -2.783 12.096 8.921 1.00 0.00 C ATOM 588 NE ARG A 173 -3.885 12.983 9.280 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.608 12.876 10.391 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.438 11.844 11.210 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.525 13.793 10.668 1.00 0.00 N ATOM 0 H ARG A 173 1.067 10.502 6.669 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.195 12.902 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -1.013 10.952 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.062 11.653 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.384 13.687 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.237 13.162 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.171 11.227 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.301 11.726 9.826 1.00 0.00 H new ATOM 0 HE ARG A 173 -4.117 13.737 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.748 11.126 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.997 11.770 12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.673 14.575 10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.083 13.716 11.519 1.00 0.00 H new ATOM 605 N ALA A 174 2.480 13.300 7.559 1.00 0.00 N ATOM 606 CA ALA A 174 3.396 14.290 8.118 1.00 0.00 C ATOM 607 C ALA A 174 4.381 14.803 7.064 1.00 0.00 C ATOM 608 O ALA A 174 5.035 15.827 7.266 1.00 0.00 O ATOM 609 CB ALA A 174 4.146 13.694 9.300 1.00 0.00 C ATOM 0 H ALA A 174 2.900 12.384 7.398 1.00 0.00 H new ATOM 0 HA ALA A 174 2.807 15.141 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.827 14.439 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.434 13.391 10.067 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.715 12.825 8.969 1.00 0.00 H new ATOM 615 N GLU A 175 4.484 14.078 5.949 1.00 0.00 N ATOM 616 CA GLU A 175 5.383 14.443 4.853 1.00 0.00 C ATOM 617 C GLU A 175 5.092 15.842 4.318 1.00 0.00 C ATOM 618 O GLU A 175 3.950 16.310 4.347 1.00 0.00 O ATOM 619 CB GLU A 175 5.278 13.426 3.709 1.00 0.00 C ATOM 620 CG GLU A 175 5.928 12.086 4.011 1.00 0.00 C ATOM 621 CD GLU A 175 7.407 12.223 4.312 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.801 12.082 5.486 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.182 12.499 3.371 1.00 0.00 O ATOM 0 H GLU A 175 3.950 13.226 5.781 1.00 0.00 H new ATOM 0 HA GLU A 175 6.396 14.438 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.226 13.263 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.740 13.849 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.427 11.624 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.792 11.418 3.160 1.00 0.00 H new ATOM 631 N GLN A 176 6.130 16.495 3.815 1.00 0.00 N ATOM 632 CA GLN A 176 6.010 17.848 3.298 1.00 0.00 C ATOM 633 C GLN A 176 5.781 17.836 1.794 1.00 0.00 C ATOM 634 O GLN A 176 6.664 18.183 1.009 1.00 0.00 O ATOM 635 CB GLN A 176 7.257 18.657 3.644 1.00 0.00 C ATOM 636 CG GLN A 176 7.427 18.874 5.135 1.00 0.00 C ATOM 637 CD GLN A 176 6.307 19.706 5.732 1.00 0.00 C ATOM 638 OE1 GLN A 176 5.766 20.624 4.948 1.00 0.00 O flip ATOM 639 NE2 GLN A 176 5.939 19.532 6.892 1.00 0.00 N flip ATOM 0 H GLN A 176 7.071 16.105 3.755 1.00 0.00 H new ATOM 0 HA GLN A 176 5.146 18.319 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 176 8.136 18.144 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 176 7.206 19.625 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 176 7.465 17.908 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 176 8.381 19.368 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 176 6.381 18.813 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 176 5.191 20.106 7.281 1.00 0.00 H new ATOM 648 N ALA A 177 4.586 17.434 1.407 1.00 0.00 N ATOM 649 CA ALA A 177 4.216 17.344 0.003 1.00 0.00 C ATOM 650 C ALA A 177 2.714 17.529 -0.161 1.00 0.00 C ATOM 651 O ALA A 177 1.968 17.467 0.815 1.00 0.00 O ATOM 652 CB ALA A 177 4.653 16.003 -0.573 1.00 0.00 C ATOM 0 H ALA A 177 3.845 17.161 2.052 1.00 0.00 H new ATOM 0 HA ALA A 177 4.724 18.139 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.370 15.949 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.735 15.903 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.167 15.196 -0.025 1.00 0.00 H new ATOM 658 N SER A 178 2.279 17.763 -1.389 1.00 0.00 N ATOM 659 CA SER A 178 0.861 17.902 -1.681 1.00 0.00 C ATOM 660 C SER A 178 0.177 16.536 -1.651 1.00 0.00 C ATOM 661 O SER A 178 0.840 15.506 -1.792 1.00 0.00 O ATOM 662 CB SER A 178 0.674 18.575 -3.040 1.00 0.00 C ATOM 663 OG SER A 178 1.360 19.815 -3.080 1.00 0.00 O ATOM 0 H SER A 178 2.889 17.861 -2.201 1.00 0.00 H new ATOM 0 HA SER A 178 0.399 18.528 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.045 17.922 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 178 -0.387 18.734 -3.231 1.00 0.00 H new ATOM 0 HG SER A 178 1.231 20.232 -3.958 1.00 0.00 H new ATOM 669 N GLN A 179 -1.139 16.529 -1.474 1.00 0.00 N ATOM 670 CA GLN A 179 -1.886 15.291 -1.263 1.00 0.00 C ATOM 671 C GLN A 179 -1.653 14.285 -2.388 1.00 0.00 C ATOM 672 O GLN A 179 -1.213 13.162 -2.138 1.00 0.00 O ATOM 673 CB GLN A 179 -3.379 15.592 -1.119 1.00 0.00 C ATOM 674 CG GLN A 179 -3.711 16.415 0.118 1.00 0.00 C ATOM 675 CD GLN A 179 -5.198 16.677 0.277 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.902 16.822 -0.832 1.00 0.00 O flip ATOM 677 NE2 GLN A 179 -5.701 16.773 1.394 1.00 0.00 N flip ATOM 0 H GLN A 179 -1.715 17.371 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.520 14.840 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.722 16.126 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.930 14.652 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.343 15.895 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.184 17.368 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.123 16.654 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.697 16.971 1.489 1.00 0.00 H new ATOM 686 N GLU A 180 -1.907 14.701 -3.621 1.00 0.00 N ATOM 687 CA GLU A 180 -1.771 13.813 -4.774 1.00 0.00 C ATOM 688 C GLU A 180 -0.318 13.384 -4.965 1.00 0.00 C ATOM 689 O GLU A 180 -0.043 12.289 -5.459 1.00 0.00 O ATOM 690 CB GLU A 180 -2.310 14.466 -6.052 1.00 0.00 C ATOM 691 CG GLU A 180 -1.791 15.866 -6.314 1.00 0.00 C ATOM 692 CD GLU A 180 -2.492 16.915 -5.475 1.00 0.00 C ATOM 693 OE1 GLU A 180 -1.965 17.272 -4.406 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.587 17.366 -5.869 1.00 0.00 O ATOM 0 H GLU A 180 -2.209 15.648 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.370 12.924 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.055 13.833 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -3.398 14.501 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -0.721 15.897 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -1.919 16.105 -7.370 1.00 0.00 H new ATOM 702 N VAL A 181 0.607 14.241 -4.549 1.00 0.00 N ATOM 703 CA VAL A 181 2.023 13.914 -4.604 1.00 0.00 C ATOM 704 C VAL A 181 2.326 12.790 -3.622 1.00 0.00 C ATOM 705 O VAL A 181 3.048 11.843 -3.945 1.00 0.00 O ATOM 706 CB VAL A 181 2.904 15.137 -4.280 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.381 14.778 -4.375 1.00 0.00 C ATOM 708 CG2 VAL A 181 2.573 16.292 -5.212 1.00 0.00 C ATOM 0 H VAL A 181 0.400 15.166 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 181 2.254 13.595 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 181 2.695 15.448 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 181 4.984 15.655 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.609 13.983 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.609 14.438 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.204 17.147 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 181 2.752 15.990 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 181 1.525 16.568 -5.091 1.00 0.00 H new ATOM 718 N LYS A 182 1.742 12.885 -2.429 1.00 0.00 N ATOM 719 CA LYS A 182 1.892 11.851 -1.416 1.00 0.00 C ATOM 720 C LYS A 182 1.326 10.528 -1.914 1.00 0.00 C ATOM 721 O LYS A 182 1.828 9.459 -1.563 1.00 0.00 O ATOM 722 CB LYS A 182 1.204 12.257 -0.112 1.00 0.00 C ATOM 723 CG LYS A 182 1.788 13.507 0.523 1.00 0.00 C ATOM 724 CD LYS A 182 1.163 13.787 1.877 1.00 0.00 C ATOM 725 CE LYS A 182 1.775 15.017 2.519 1.00 0.00 C ATOM 726 NZ LYS A 182 1.281 15.235 3.901 1.00 0.00 N ATOM 0 H LYS A 182 1.159 13.672 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 182 2.957 11.728 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.144 12.420 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.275 11.433 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.866 13.389 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.628 14.360 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.089 13.930 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.302 12.925 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.860 14.914 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.547 15.893 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.888 15.930 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.305 15.592 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.304 14.336 4.424 1.00 0.00 H new ATOM 740 N ASN A 183 0.284 10.597 -2.742 1.00 0.00 N ATOM 741 CA ASN A 183 -0.260 9.388 -3.350 1.00 0.00 C ATOM 742 C ASN A 183 0.778 8.789 -4.273 1.00 0.00 C ATOM 743 O ASN A 183 1.156 7.635 -4.116 1.00 0.00 O ATOM 744 CB ASN A 183 -1.529 9.635 -4.177 1.00 0.00 C ATOM 745 CG ASN A 183 -2.741 10.105 -3.396 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.544 10.819 -2.303 1.00 0.00 O flip ATOM 747 ND2 ASN A 183 -3.866 9.821 -3.786 1.00 0.00 N flip ATOM 0 H ASN A 183 -0.192 11.461 -3.002 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.521 8.721 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.303 10.377 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.789 8.712 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.987 9.268 -4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -4.682 10.138 -3.263 1.00 0.00 H new ATOM 754 N ALA A 184 1.265 9.615 -5.201 1.00 0.00 N ATOM 755 CA ALA A 184 2.178 9.167 -6.250 1.00 0.00 C ATOM 756 C ALA A 184 3.417 8.508 -5.666 1.00 0.00 C ATOM 757 O ALA A 184 3.897 7.500 -6.184 1.00 0.00 O ATOM 758 CB ALA A 184 2.571 10.338 -7.141 1.00 0.00 C ATOM 0 H ALA A 184 1.038 10.608 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 184 1.657 8.421 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.251 9.991 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.678 10.760 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.065 11.102 -6.541 1.00 0.00 H new ATOM 764 N ALA A 185 3.929 9.079 -4.584 1.00 0.00 N ATOM 765 CA ALA A 185 5.065 8.499 -3.893 1.00 0.00 C ATOM 766 C ALA A 185 4.695 7.133 -3.319 1.00 0.00 C ATOM 767 O ALA A 185 5.364 6.140 -3.573 1.00 0.00 O ATOM 768 CB ALA A 185 5.539 9.433 -2.789 1.00 0.00 C ATOM 0 H ALA A 185 3.575 9.941 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 185 5.879 8.363 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.392 8.988 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.834 10.388 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.731 9.593 -2.076 1.00 0.00 H new ATOM 774 N THR A 186 3.595 7.085 -2.589 1.00 0.00 N ATOM 775 CA THR A 186 3.140 5.856 -1.953 1.00 0.00 C ATOM 776 C THR A 186 2.900 4.745 -2.972 1.00 0.00 C ATOM 777 O THR A 186 3.238 3.584 -2.730 1.00 0.00 O ATOM 778 CB THR A 186 1.844 6.111 -1.174 1.00 0.00 C ATOM 779 OG1 THR A 186 2.045 7.177 -0.249 1.00 0.00 O ATOM 780 CG2 THR A 186 1.384 4.868 -0.431 1.00 0.00 C ATOM 0 H THR A 186 2.993 7.891 -2.419 1.00 0.00 H new ATOM 0 HA THR A 186 3.928 5.534 -1.272 1.00 0.00 H new ATOM 0 HB THR A 186 1.067 6.380 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.598 7.985 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.463 5.087 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.204 4.064 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.155 4.560 0.276 1.00 0.00 H new ATOM 788 N GLU A 187 2.343 5.121 -4.116 1.00 0.00 N ATOM 789 CA GLU A 187 1.991 4.171 -5.160 1.00 0.00 C ATOM 790 C GLU A 187 3.204 3.340 -5.594 1.00 0.00 C ATOM 791 O GLU A 187 3.062 2.182 -5.983 1.00 0.00 O ATOM 792 CB GLU A 187 1.383 4.914 -6.356 1.00 0.00 C ATOM 793 CG GLU A 187 0.114 5.690 -6.018 1.00 0.00 C ATOM 794 CD GLU A 187 -0.507 6.369 -7.221 1.00 0.00 C ATOM 795 OE1 GLU A 187 -0.255 7.572 -7.429 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.263 5.706 -7.960 1.00 0.00 O ATOM 0 H GLU A 187 2.124 6.091 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 187 1.251 3.479 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.124 5.605 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.159 4.194 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.614 5.009 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.345 6.442 -5.263 1.00 0.00 H new ATOM 804 N THR A 188 4.397 3.929 -5.529 1.00 0.00 N ATOM 805 CA THR A 188 5.615 3.189 -5.829 1.00 0.00 C ATOM 806 C THR A 188 6.288 2.664 -4.554 1.00 0.00 C ATOM 807 O THR A 188 6.709 1.506 -4.497 1.00 0.00 O ATOM 808 CB THR A 188 6.624 4.030 -6.657 1.00 0.00 C ATOM 809 OG1 THR A 188 7.840 3.298 -6.865 1.00 0.00 O ATOM 810 CG2 THR A 188 6.934 5.355 -5.985 1.00 0.00 C ATOM 0 H THR A 188 4.543 4.906 -5.274 1.00 0.00 H new ATOM 0 HA THR A 188 5.311 2.336 -6.436 1.00 0.00 H new ATOM 0 HB THR A 188 6.158 4.237 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 188 8.464 3.842 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.643 5.915 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 188 6.015 5.931 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 188 7.366 5.172 -5.001 1.00 0.00 H new ATOM 818 N LEU A 189 6.345 3.500 -3.521 1.00 0.00 N ATOM 819 CA LEU A 189 7.154 3.212 -2.339 1.00 0.00 C ATOM 820 C LEU A 189 6.566 2.094 -1.489 1.00 0.00 C ATOM 821 O LEU A 189 7.313 1.302 -0.915 1.00 0.00 O ATOM 822 CB LEU A 189 7.311 4.467 -1.483 1.00 0.00 C ATOM 823 CG LEU A 189 7.790 5.713 -2.226 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.958 6.873 -1.260 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.074 5.433 -2.996 1.00 0.00 C ATOM 0 H LEU A 189 5.839 4.385 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 189 8.128 2.881 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.352 4.690 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.015 4.252 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 189 7.031 5.992 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.300 7.753 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 189 7.003 7.090 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.692 6.609 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.392 6.337 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.854 5.120 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.897 4.641 -3.723 1.00 0.00 H new ATOM 837 N LEU A 190 5.240 2.028 -1.414 1.00 0.00 N ATOM 838 CA LEU A 190 4.568 1.053 -0.555 1.00 0.00 C ATOM 839 C LEU A 190 4.991 -0.369 -0.910 1.00 0.00 C ATOM 840 O LEU A 190 5.341 -1.162 -0.038 1.00 0.00 O ATOM 841 CB LEU A 190 3.047 1.195 -0.680 1.00 0.00 C ATOM 842 CG LEU A 190 2.229 0.319 0.270 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.500 0.704 1.714 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.748 0.434 -0.047 1.00 0.00 C ATOM 0 H LEU A 190 4.609 2.636 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 190 4.861 1.251 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.780 2.238 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.759 0.958 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 190 2.530 -0.719 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.910 0.071 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.559 0.571 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.226 1.747 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.179 -0.195 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.431 1.471 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.569 0.109 -1.072 1.00 0.00 H new ATOM 856 N VAL A 191 4.975 -0.683 -2.198 1.00 0.00 N ATOM 857 CA VAL A 191 5.370 -2.006 -2.655 1.00 0.00 C ATOM 858 C VAL A 191 6.891 -2.131 -2.686 1.00 0.00 C ATOM 859 O VAL A 191 7.441 -3.190 -2.399 1.00 0.00 O ATOM 860 CB VAL A 191 4.797 -2.316 -4.055 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.132 -3.741 -4.477 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.292 -2.092 -4.080 1.00 0.00 C ATOM 0 H VAL A 191 4.694 -0.043 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 191 4.962 -2.729 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 191 5.260 -1.633 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.717 -3.935 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.214 -3.867 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.704 -4.443 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 191 2.907 -2.316 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.815 -2.746 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.075 -1.053 -3.832 1.00 0.00 H new ATOM 872 N GLN A 192 7.561 -1.031 -3.012 1.00 0.00 N ATOM 873 CA GLN A 192 9.008 -1.010 -3.149 1.00 0.00 C ATOM 874 C GLN A 192 9.710 -1.318 -1.828 1.00 0.00 C ATOM 875 O GLN A 192 10.611 -2.159 -1.777 1.00 0.00 O ATOM 876 CB GLN A 192 9.450 0.360 -3.654 1.00 0.00 C ATOM 877 CG GLN A 192 10.952 0.509 -3.739 1.00 0.00 C ATOM 878 CD GLN A 192 11.377 1.926 -4.058 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.532 2.296 -5.222 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.563 2.732 -3.027 1.00 0.00 N ATOM 0 H GLN A 192 7.114 -0.131 -3.188 1.00 0.00 H new ATOM 0 HA GLN A 192 9.288 -1.785 -3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.018 0.533 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.052 1.129 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.398 0.204 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.338 -0.164 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 192 11.424 2.386 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.846 3.700 -3.181 1.00 0.00 H new ATOM 889 N ASN A 193 9.288 -0.642 -0.766 1.00 0.00 N ATOM 890 CA ASN A 193 9.965 -0.741 0.525 1.00 0.00 C ATOM 891 C ASN A 193 9.472 -1.941 1.324 1.00 0.00 C ATOM 892 O ASN A 193 9.843 -2.122 2.485 1.00 0.00 O ATOM 893 CB ASN A 193 9.779 0.544 1.338 1.00 0.00 C ATOM 894 CG ASN A 193 10.375 1.767 0.662 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.311 1.663 -0.134 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.849 2.939 0.985 1.00 0.00 N ATOM 0 H ASN A 193 8.480 -0.019 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 193 11.027 -0.880 0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.715 0.711 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 193 10.239 0.417 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 193 10.218 3.795 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.075 2.985 1.648 1.00 0.00 H new ATOM 903 N ALA A 194 8.624 -2.749 0.704 1.00 0.00 N ATOM 904 CA ALA A 194 8.175 -3.992 1.312 1.00 0.00 C ATOM 905 C ALA A 194 9.267 -5.052 1.210 1.00 0.00 C ATOM 906 O ALA A 194 10.203 -4.914 0.417 1.00 0.00 O ATOM 907 CB ALA A 194 6.900 -4.475 0.635 1.00 0.00 C ATOM 0 H ALA A 194 8.233 -2.565 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 194 7.963 -3.813 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.573 -5.406 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.121 -3.721 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 194 7.092 -4.644 -0.424 1.00 0.00 H new ATOM 913 N ASN A 195 9.158 -6.101 2.015 1.00 0.00 N ATOM 914 CA ASN A 195 10.127 -7.189 1.967 1.00 0.00 C ATOM 915 C ASN A 195 9.794 -8.116 0.801 1.00 0.00 C ATOM 916 O ASN A 195 8.633 -8.186 0.398 1.00 0.00 O ATOM 917 CB ASN A 195 10.163 -7.980 3.288 1.00 0.00 C ATOM 918 CG ASN A 195 8.887 -8.756 3.558 1.00 0.00 C ATOM 919 OD1 ASN A 195 8.688 -9.848 3.031 1.00 0.00 O ATOM 920 ND2 ASN A 195 8.036 -8.223 4.415 1.00 0.00 N ATOM 0 H ASN A 195 8.415 -6.222 2.704 1.00 0.00 H new ATOM 0 HA ASN A 195 11.117 -6.757 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 195 11.004 -8.673 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.341 -7.289 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 195 7.180 -8.720 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.235 -7.314 4.833 1.00 0.00 H new ATOM 927 N PRO A 196 10.787 -8.832 0.244 1.00 0.00 N ATOM 928 CA PRO A 196 10.613 -9.633 -0.979 1.00 0.00 C ATOM 929 C PRO A 196 9.405 -10.568 -0.915 1.00 0.00 C ATOM 930 O PRO A 196 8.628 -10.670 -1.873 1.00 0.00 O ATOM 931 CB PRO A 196 11.917 -10.443 -1.078 1.00 0.00 C ATOM 932 CG PRO A 196 12.597 -10.271 0.240 1.00 0.00 C ATOM 933 CD PRO A 196 12.155 -8.938 0.760 1.00 0.00 C ATOM 0 HA PRO A 196 10.425 -8.997 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.711 -11.494 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.543 -10.080 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.321 -11.070 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.681 -10.307 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.182 -8.898 1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.790 -8.130 0.396 1.00 0.00 H new ATOM 941 N ASP A 197 9.229 -11.208 0.232 1.00 0.00 N ATOM 942 CA ASP A 197 8.172 -12.201 0.410 1.00 0.00 C ATOM 943 C ASP A 197 6.797 -11.546 0.328 1.00 0.00 C ATOM 944 O ASP A 197 5.930 -11.985 -0.430 1.00 0.00 O ATOM 945 CB ASP A 197 8.332 -12.914 1.753 1.00 0.00 C ATOM 946 CG ASP A 197 7.465 -14.153 1.865 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.282 -14.033 2.226 1.00 0.00 O ATOM 948 OD2 ASP A 197 7.975 -15.264 1.592 1.00 0.00 O ATOM 0 H ASP A 197 9.807 -11.058 1.059 1.00 0.00 H new ATOM 0 HA ASP A 197 8.256 -12.934 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.377 -13.193 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.079 -12.224 2.558 1.00 0.00 H new ATOM 954 N CYS A 198 6.611 -10.479 1.095 1.00 0.00 N ATOM 955 CA CYS A 198 5.351 -9.747 1.096 1.00 0.00 C ATOM 956 C CYS A 198 5.142 -9.059 -0.251 1.00 0.00 C ATOM 957 O CYS A 198 4.024 -8.988 -0.758 1.00 0.00 O ATOM 958 CB CYS A 198 5.336 -8.718 2.227 1.00 0.00 C ATOM 959 SG CYS A 198 3.767 -7.835 2.419 1.00 0.00 S ATOM 0 H CYS A 198 7.318 -10.101 1.725 1.00 0.00 H new ATOM 0 HA CYS A 198 4.536 -10.452 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.571 -9.223 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 198 6.128 -7.991 2.050 1.00 0.00 H new ATOM 0 HG CYS A 198 3.099 -7.890 1.305 1.00 0.00 H new ATOM 965 N LYS A 199 6.236 -8.572 -0.828 1.00 0.00 N ATOM 966 CA LYS A 199 6.211 -7.922 -2.135 1.00 0.00 C ATOM 967 C LYS A 199 5.674 -8.876 -3.200 1.00 0.00 C ATOM 968 O LYS A 199 4.941 -8.467 -4.103 1.00 0.00 O ATOM 969 CB LYS A 199 7.623 -7.454 -2.498 1.00 0.00 C ATOM 970 CG LYS A 199 7.717 -6.696 -3.810 1.00 0.00 C ATOM 971 CD LYS A 199 9.124 -6.169 -4.040 1.00 0.00 C ATOM 972 CE LYS A 199 9.534 -5.202 -2.940 1.00 0.00 C ATOM 973 NZ LYS A 199 10.901 -4.664 -3.144 1.00 0.00 N ATOM 0 H LYS A 199 7.163 -8.616 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 199 5.547 -7.059 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.998 -6.817 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.279 -8.323 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.432 -7.351 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.011 -5.866 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.826 -7.002 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.174 -5.667 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.823 -4.377 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.486 -5.710 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 10.977 -3.729 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.596 -5.310 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.090 -4.575 -4.163 1.00 0.00 H new ATOM 987 N THR A 200 6.033 -10.150 -3.078 1.00 0.00 N ATOM 988 CA THR A 200 5.534 -11.182 -3.976 1.00 0.00 C ATOM 989 C THR A 200 4.010 -11.281 -3.881 1.00 0.00 C ATOM 990 O THR A 200 3.319 -11.427 -4.890 1.00 0.00 O ATOM 991 CB THR A 200 6.160 -12.557 -3.647 1.00 0.00 C ATOM 992 OG1 THR A 200 7.591 -12.473 -3.714 1.00 0.00 O ATOM 993 CG2 THR A 200 5.674 -13.629 -4.613 1.00 0.00 C ATOM 0 H THR A 200 6.672 -10.493 -2.361 1.00 0.00 H new ATOM 0 HA THR A 200 5.817 -10.903 -4.991 1.00 0.00 H new ATOM 0 HB THR A 200 5.852 -12.832 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.915 -11.851 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.131 -14.584 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.590 -13.716 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.953 -13.355 -5.631 1.00 0.00 H new ATOM 1001 N ILE A 201 3.500 -11.164 -2.661 1.00 0.00 N ATOM 1002 CA ILE A 201 2.068 -11.255 -2.411 1.00 0.00 C ATOM 1003 C ILE A 201 1.353 -9.998 -2.903 1.00 0.00 C ATOM 1004 O ILE A 201 0.277 -10.076 -3.493 1.00 0.00 O ATOM 1005 CB ILE A 201 1.773 -11.450 -0.909 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.590 -12.619 -0.351 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.285 -11.691 -0.696 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.428 -12.814 1.140 1.00 0.00 C ATOM 0 H ILE A 201 4.062 -11.005 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 201 1.698 -12.122 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 201 2.061 -10.544 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.295 -13.535 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.644 -12.454 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.087 -11.827 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.279 -10.833 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.020 -12.585 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.035 -13.659 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.751 -11.913 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.381 -13.011 1.370 1.00 0.00 H new ATOM 1020 N LEU A 202 1.967 -8.847 -2.666 1.00 0.00 N ATOM 1021 CA LEU A 202 1.408 -7.569 -3.100 1.00 0.00 C ATOM 1022 C LEU A 202 1.245 -7.535 -4.618 1.00 0.00 C ATOM 1023 O LEU A 202 0.268 -6.995 -5.139 1.00 0.00 O ATOM 1024 CB LEU A 202 2.308 -6.420 -2.643 1.00 0.00 C ATOM 1025 CG LEU A 202 2.501 -6.310 -1.129 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.509 -5.224 -0.798 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.174 -6.033 -0.437 1.00 0.00 C ATOM 0 H LEU A 202 2.857 -8.770 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 202 0.424 -7.454 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.286 -6.537 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.889 -5.483 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 202 2.886 -7.262 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.633 -5.160 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.467 -5.464 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.152 -4.267 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.333 -5.958 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.759 -5.096 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.478 -6.846 -0.645 1.00 0.00 H new ATOM 1039 N LYS A 203 2.204 -8.121 -5.322 1.00 0.00 N ATOM 1040 CA LYS A 203 2.135 -8.214 -6.777 1.00 0.00 C ATOM 1041 C LYS A 203 1.130 -9.275 -7.214 1.00 0.00 C ATOM 1042 O LYS A 203 0.590 -9.208 -8.318 1.00 0.00 O ATOM 1043 CB LYS A 203 3.512 -8.500 -7.378 1.00 0.00 C ATOM 1044 CG LYS A 203 4.417 -7.280 -7.408 1.00 0.00 C ATOM 1045 CD LYS A 203 5.719 -7.569 -8.136 1.00 0.00 C ATOM 1046 CE LYS A 203 6.493 -6.290 -8.408 1.00 0.00 C ATOM 1047 NZ LYS A 203 7.748 -6.550 -9.155 1.00 0.00 N ATOM 0 H LYS A 203 3.039 -8.539 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 203 1.795 -7.249 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.996 -9.289 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.387 -8.877 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 203 3.900 -6.455 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.632 -6.961 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.330 -8.247 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.507 -8.076 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.868 -5.602 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.728 -5.800 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.246 -5.652 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.356 -7.186 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.523 -6.994 -10.068 1.00 0.00 H new ATOM 1061 N ALA A 204 0.894 -10.257 -6.353 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.079 -11.306 -6.640 1.00 0.00 C ATOM 1063 C ALA A 204 -1.490 -10.727 -6.705 1.00 0.00 C ATOM 1064 O ALA A 204 -2.325 -11.194 -7.481 1.00 0.00 O ATOM 1065 CB ALA A 204 -0.002 -12.412 -5.597 1.00 0.00 C ATOM 0 H ALA A 204 1.362 -10.350 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 204 0.161 -11.736 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.736 -13.184 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.997 -12.848 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.212 -11.998 -4.611 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.747 -9.713 -5.883 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.014 -8.987 -5.929 1.00 0.00 C ATOM 1073 C LEU A 205 -3.161 -8.253 -7.255 1.00 0.00 C ATOM 1074 O LEU A 205 -4.232 -8.245 -7.867 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.106 -7.952 -4.804 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.733 -8.402 -3.483 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -5.044 -9.122 -3.716 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.781 -9.257 -2.676 1.00 0.00 C ATOM 0 H LEU A 205 -1.094 -9.375 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.808 -9.725 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.099 -7.593 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.677 -7.101 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.941 -7.504 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.465 -9.430 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.741 -8.454 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.871 -10.002 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.262 -9.557 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.514 -10.145 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.880 -8.686 -2.451 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.070 -7.632 -7.681 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.090 -6.812 -8.869 1.00 0.00 C ATOM 1092 C GLY A 206 -2.494 -5.389 -8.547 1.00 0.00 C ATOM 1093 O GLY A 206 -2.778 -5.075 -7.390 1.00 0.00 O ATOM 0 H GLY A 206 -1.163 -7.685 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.104 -6.816 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.786 -7.235 -9.594 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.518 -4.498 -9.545 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.940 -3.110 -9.349 1.00 0.00 C ATOM 1099 C PRO A 207 -4.461 -2.974 -9.278 1.00 0.00 C ATOM 1100 O PRO A 207 -4.993 -1.884 -9.057 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.387 -2.403 -10.586 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.338 -3.456 -11.643 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.108 -4.767 -10.938 1.00 0.00 C ATOM 0 HA PRO A 207 -2.578 -2.694 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.027 -1.573 -10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.397 -1.989 -10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.269 -3.479 -12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.537 -3.253 -12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.700 -5.568 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.063 -5.073 -10.995 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.152 -4.093 -9.455 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.607 -4.118 -9.437 1.00 0.00 C ATOM 1113 C ALA A 208 -7.134 -4.575 -8.079 1.00 0.00 C ATOM 1114 O ALA A 208 -8.203 -5.175 -7.977 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.122 -5.026 -10.536 1.00 0.00 C ATOM 0 H ALA A 208 -4.721 -5.004 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.969 -3.105 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.212 -5.039 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.781 -4.656 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.744 -6.036 -10.380 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.359 -4.306 -7.048 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.751 -4.612 -5.681 1.00 0.00 C ATOM 1123 C ALA A 209 -6.442 -3.423 -4.785 1.00 0.00 C ATOM 1124 O ALA A 209 -5.611 -2.580 -5.136 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.030 -5.857 -5.193 1.00 0.00 C ATOM 0 H ALA A 209 -5.441 -3.870 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.823 -4.808 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.333 -6.075 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.286 -6.701 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -4.953 -5.690 -5.226 1.00 0.00 H new ATOM 1131 N THR A 210 -7.096 -3.347 -3.636 1.00 0.00 N ATOM 1132 CA THR A 210 -6.948 -2.188 -2.775 1.00 0.00 C ATOM 1133 C THR A 210 -6.187 -2.552 -1.501 1.00 0.00 C ATOM 1134 O THR A 210 -5.740 -3.691 -1.344 1.00 0.00 O ATOM 1135 CB THR A 210 -8.320 -1.556 -2.431 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.135 -0.264 -1.837 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.126 -2.432 -1.481 1.00 0.00 C ATOM 0 H THR A 210 -7.727 -4.066 -3.283 1.00 0.00 H new ATOM 0 HA THR A 210 -6.369 -1.444 -3.322 1.00 0.00 H new ATOM 0 HB THR A 210 -8.875 -1.462 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 210 -8.573 0.416 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.081 -1.952 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.304 -3.403 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.571 -2.569 -0.553 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.039 -1.591 -0.599 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.256 -1.786 0.616 1.00 0.00 C ATOM 1147 C LEU A 211 -5.789 -2.957 1.440 1.00 0.00 C ATOM 1148 O LEU A 211 -5.018 -3.724 2.015 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.282 -0.515 1.462 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.343 -0.513 2.668 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.895 -0.393 2.221 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.708 0.614 3.616 1.00 0.00 C ATOM 0 H LEU A 211 -6.453 -0.663 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.232 -2.013 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.029 0.332 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.301 -0.354 1.815 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.456 -1.460 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.243 -0.393 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.641 -1.236 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.761 0.537 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.032 0.604 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.622 1.568 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.733 0.480 3.963 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.109 -3.095 1.468 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.767 -4.107 2.272 1.00 0.00 C ATOM 1166 C GLU A 212 -7.348 -5.516 1.847 1.00 0.00 C ATOM 1167 O GLU A 212 -7.163 -6.401 2.692 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.278 -3.942 2.148 1.00 0.00 C ATOM 1169 CG GLU A 212 -10.063 -4.756 3.156 1.00 0.00 C ATOM 1170 CD GLU A 212 -9.964 -4.195 4.561 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -8.941 -4.433 5.237 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -10.909 -3.505 4.994 1.00 0.00 O ATOM 0 H GLU A 212 -7.749 -2.508 0.933 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.467 -3.976 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.531 -2.889 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.585 -4.231 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -11.110 -4.789 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.698 -5.783 3.152 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.173 -5.720 0.543 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.765 -7.015 0.034 1.00 0.00 C ATOM 1182 C GLU A 213 -5.344 -7.316 0.476 1.00 0.00 C ATOM 1183 O GLU A 213 -5.011 -8.454 0.788 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.869 -7.083 -1.494 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.295 -7.200 -2.015 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.051 -5.893 -1.960 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.991 -5.138 -2.950 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.700 -5.615 -0.931 1.00 0.00 O ATOM 0 H GLU A 213 -7.308 -5.005 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.442 -7.765 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.410 -6.190 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.292 -7.937 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.272 -7.557 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.830 -7.948 -1.430 1.00 0.00 H new ATOM 1196 N MET A 214 -4.525 -6.274 0.532 1.00 0.00 N ATOM 1197 CA MET A 214 -3.127 -6.407 0.923 1.00 0.00 C ATOM 1198 C MET A 214 -3.023 -6.793 2.391 1.00 0.00 C ATOM 1199 O MET A 214 -2.211 -7.640 2.771 1.00 0.00 O ATOM 1200 CB MET A 214 -2.380 -5.092 0.690 1.00 0.00 C ATOM 1201 CG MET A 214 -2.600 -4.511 -0.690 1.00 0.00 C ATOM 1202 SD MET A 214 -2.038 -5.609 -1.997 1.00 0.00 S ATOM 1203 CE MET A 214 -3.059 -5.037 -3.342 1.00 0.00 C ATOM 0 H MET A 214 -4.808 -5.319 0.310 1.00 0.00 H new ATOM 0 HA MET A 214 -2.675 -7.189 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.698 -4.365 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.313 -5.257 0.840 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.661 -4.301 -0.827 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.074 -3.559 -0.768 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.606 -5.326 -4.291 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.050 -5.484 -3.262 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.146 -3.951 -3.297 1.00 0.00 H new ATOM 1213 N MET A 215 -3.860 -6.166 3.210 1.00 0.00 N ATOM 1214 CA MET A 215 -3.887 -6.440 4.641 1.00 0.00 C ATOM 1215 C MET A 215 -4.214 -7.903 4.888 1.00 0.00 C ATOM 1216 O MET A 215 -3.522 -8.588 5.641 1.00 0.00 O ATOM 1217 CB MET A 215 -4.920 -5.551 5.340 1.00 0.00 C ATOM 1218 CG MET A 215 -4.698 -4.069 5.129 1.00 0.00 C ATOM 1219 SD MET A 215 -3.107 -3.515 5.762 1.00 0.00 S ATOM 1220 CE MET A 215 -3.635 -2.082 6.689 1.00 0.00 C ATOM 0 H MET A 215 -4.532 -5.461 2.905 1.00 0.00 H new ATOM 0 HA MET A 215 -2.902 -6.220 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.914 -5.814 4.979 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.902 -5.762 6.409 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.761 -3.843 4.064 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.495 -3.512 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.775 -1.446 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.367 -1.522 6.108 1.00 0.00 H new ATOM 0 HE3 MET A 215 -4.086 -2.402 7.628 1.00 0.00 H new ATOM 1230 N THR A 216 -5.261 -8.377 4.226 1.00 0.00 N ATOM 1231 CA THR A 216 -5.690 -9.763 4.345 1.00 0.00 C ATOM 1232 C THR A 216 -4.674 -10.704 3.692 1.00 0.00 C ATOM 1233 O THR A 216 -4.481 -11.834 4.136 1.00 0.00 O ATOM 1234 CB THR A 216 -7.072 -9.956 3.692 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.965 -8.919 4.129 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.657 -11.316 4.041 1.00 0.00 C ATOM 0 H THR A 216 -5.833 -7.815 3.595 1.00 0.00 H new ATOM 0 HA THR A 216 -5.760 -10.004 5.406 1.00 0.00 H new ATOM 0 HB THR A 216 -6.949 -9.903 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.796 -8.103 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.632 -11.425 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.990 -12.101 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.768 -11.398 5.122 1.00 0.00 H new ATOM 1244 N ALA A 217 -4.020 -10.222 2.643 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.003 -10.997 1.949 1.00 0.00 C ATOM 1246 C ALA A 217 -1.822 -11.295 2.869 1.00 0.00 C ATOM 1247 O ALA A 217 -1.285 -12.404 2.875 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.539 -10.255 0.704 1.00 0.00 C ATOM 0 H ALA A 217 -4.178 -9.293 2.253 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.441 -11.949 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.778 -10.844 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.387 -10.099 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.120 -9.290 0.990 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.438 -10.298 3.657 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.344 -10.437 4.607 1.00 0.00 C ATOM 1256 C CYS A 218 -0.725 -11.395 5.734 1.00 0.00 C ATOM 1257 O CYS A 218 0.139 -12.045 6.329 1.00 0.00 O ATOM 1258 CB CYS A 218 0.024 -9.064 5.177 1.00 0.00 C ATOM 1259 SG CYS A 218 1.390 -9.080 6.363 1.00 0.00 S ATOM 0 H CYS A 218 -1.874 -9.376 3.655 1.00 0.00 H new ATOM 0 HA CYS A 218 0.520 -10.851 4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.285 -8.401 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.855 -8.639 5.662 1.00 0.00 H new ATOM 0 HG CYS A 218 1.515 -10.273 6.865 1.00 0.00 H new ATOM 1472 N THR B 2 -2.530 4.081 -2.562 1.00 0.00 N ATOM 1473 CA THR B 2 -2.089 5.465 -2.639 1.00 0.00 C ATOM 1474 C THR B 2 -2.407 6.138 -1.305 1.00 0.00 C ATOM 1475 O THR B 2 -3.097 5.535 -0.477 1.00 0.00 O ATOM 1476 CB THR B 2 -2.769 6.237 -3.799 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.957 6.890 -3.334 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.153 5.311 -4.941 1.00 0.00 C ATOM 0 HA THR B 2 -1.018 5.480 -2.840 1.00 0.00 H new ATOM 0 HB THR B 2 -2.047 6.969 -4.160 1.00 0.00 H new ATOM 0 HG1 THR B 2 -4.393 7.348 -4.083 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.627 5.889 -5.735 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.259 4.824 -5.331 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.849 4.555 -4.578 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.919 7.350 -1.066 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.198 8.020 0.204 1.00 0.00 C ATOM 1488 C PHE B 3 -3.690 8.327 0.336 1.00 0.00 C ATOM 1489 O PHE B 3 -4.244 8.236 1.433 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.379 9.306 0.353 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.538 9.966 1.699 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.483 9.216 2.862 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.742 11.334 1.802 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.625 9.808 4.100 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.882 11.936 3.041 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.824 11.170 4.191 1.00 0.00 C ATOM 0 H PHE B 3 -1.341 7.881 -1.717 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.905 7.340 1.004 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.326 9.078 0.191 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.676 10.009 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.326 8.149 2.799 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.792 11.936 0.907 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.580 9.206 4.996 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.036 13.003 3.109 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.934 11.637 5.158 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.101 6.535 -0.783 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.684 5.262 -0.380 1.00 0.00 C ATOM 1528 C ASP B 5 -6.437 5.006 1.097 1.00 0.00 C ATOM 1529 O ASP B 5 -7.323 4.555 1.812 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.103 4.118 -1.212 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.625 2.761 -0.787 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -5.797 1.866 -0.523 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.857 2.583 -0.737 1.00 0.00 O ATOM 0 HA ASP B 5 -7.759 5.311 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.341 4.281 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.016 4.128 -1.126 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.227 5.315 1.541 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.860 5.164 2.940 1.00 0.00 C ATOM 1541 C LEU B 6 -5.779 5.989 3.830 1.00 0.00 C ATOM 1542 O LEU B 6 -6.300 5.500 4.834 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.409 5.591 3.158 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.467 4.472 3.575 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.052 3.739 4.765 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.208 3.520 2.414 1.00 0.00 C ATOM 0 H LEU B 6 -4.479 5.674 0.948 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.966 4.112 3.207 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.035 6.037 2.236 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.385 6.369 3.921 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.507 4.900 3.863 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.378 2.937 5.065 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.180 4.435 5.594 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.020 3.317 4.493 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.532 2.728 2.737 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.150 3.081 2.086 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.756 4.069 1.587 1.00 0.00 H new ATOM 1558 N LEU B 7 -5.972 7.241 3.450 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.856 8.135 4.176 1.00 0.00 C ATOM 1560 C LEU B 7 -8.280 7.599 4.202 1.00 0.00 C ATOM 1561 O LEU B 7 -8.872 7.450 5.271 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.854 9.522 3.531 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.647 10.405 3.872 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.678 11.690 3.060 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.631 10.734 5.357 1.00 0.00 C ATOM 0 H LEU B 7 -5.524 7.663 2.636 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.488 8.204 5.200 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.900 9.401 2.449 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.762 10.045 3.832 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.741 9.853 3.622 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.814 12.303 3.316 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.650 11.450 1.997 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.592 12.240 3.284 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.768 11.361 5.581 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.545 11.266 5.622 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.569 9.811 5.933 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.369 4.749 3.672 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.427 3.472 4.369 1.00 0.00 C ATOM 1599 C TYR B 9 -9.592 3.688 5.873 1.00 0.00 C ATOM 1600 O TYR B 9 -10.528 3.177 6.489 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.158 2.665 4.083 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.104 1.327 4.781 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.866 0.259 4.331 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.287 1.134 5.885 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -8.814 -0.967 4.962 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.226 -0.089 6.522 1.00 0.00 C ATOM 1607 CZ TYR B 9 -7.994 -1.139 6.055 1.00 0.00 C ATOM 1608 OH TYR B 9 -7.943 -2.366 6.685 1.00 0.00 O ATOM 0 HA TYR B 9 -10.291 2.914 4.007 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.078 2.505 3.008 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.291 3.254 4.383 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.510 0.389 3.474 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.688 1.954 6.252 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.414 -1.789 4.600 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.583 -0.224 7.379 1.00 0.00 H new ATOM 0 HH TYR B 9 -8.307 -3.054 6.090 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.674 4.456 6.452 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.676 4.711 7.891 1.00 0.00 C ATOM 1620 C TYR B 10 -9.837 5.605 8.313 1.00 0.00 C ATOM 1621 O TYR B 10 -10.497 5.345 9.320 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.353 5.349 8.327 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.226 4.361 8.528 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.503 3.858 7.454 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.879 3.938 9.805 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.471 2.961 7.647 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.849 3.041 10.005 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.148 2.557 8.923 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.119 1.666 9.118 1.00 0.00 O ATOM 0 H TYR B 10 -7.916 4.914 5.946 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.797 3.746 8.384 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.051 6.081 7.578 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.514 5.894 9.257 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.752 4.174 6.452 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.425 4.318 10.656 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.920 2.578 6.801 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.594 2.721 11.004 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.020 1.485 10.076 1.00 0.00 H new