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 -131:sc= -0.83 (180deg=-0.943) USER MOD Set 1.2: B 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.2 K(o=-0.75,f=-1.6) USER MOD Set 2.2: A 195 ASN : amide:sc= -0.161 K(o=-0.75,f=-2.6!) USER MOD Set 2.3: A 198 CYS SG : rot -100:sc= -1.73! USER MOD Set 2.4: A 218 CYS SG : rot -27:sc= -0.0567 USER MOD Single : A 158 LYS NZ :NH3+ -172:sc=-0.00574 (180deg=-0.0882) USER MOD Single : A 164 TYR OH : rot -90:sc= 0.411 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -111:sc= 0.107 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 176 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.11) USER MOD Single : A 183 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.9!) USER MOD Single : A 186 THR OG1 : rot 96:sc= 0.988 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.197 F(o=-1.7!,f=-0.2) USER MOD Single : A 193 ASN : amide:sc= -0.0493 K(o=-0.049,f=-0.64) USER MOD Single : A 199 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00167) USER MOD Single : A 200 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 44:sc= 0.12 USER MOD Single : A 214 MET CE :methyl 165:sc= -2.19 (180deg=-3.07) USER MOD Single : A 216 THR OG1 : rot 78:sc= 1.13 USER MOD Single : B 2 THR OG1 : rot -110:sc= 1.3 USER MOD Single : B 10 TYR OH : rot 180:sc= -0.514 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.515 9.603 5.147 1.00 0.00 N ATOM 171 CA ILE A 150 8.692 8.410 4.970 1.00 0.00 C ATOM 172 C ILE A 150 9.490 7.328 4.230 1.00 0.00 C ATOM 173 O ILE A 150 9.163 6.143 4.276 1.00 0.00 O ATOM 174 CB ILE A 150 7.382 8.753 4.209 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.183 7.998 4.798 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.511 8.475 2.713 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.205 6.502 4.579 1.00 0.00 C ATOM 0 HA ILE A 150 8.415 8.026 5.952 1.00 0.00 H new ATOM 0 HB ILE A 150 7.207 9.821 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.139 8.193 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 150 5.269 8.401 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 150 6.575 8.727 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.317 9.080 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 150 7.733 7.419 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.319 6.055 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.214 6.291 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 150 7.098 6.080 5.040 1.00 0.00 H new ATOM 189 N LEU A 151 10.567 7.751 3.578 1.00 0.00 N ATOM 190 CA LEU A 151 11.446 6.842 2.848 1.00 0.00 C ATOM 191 C LEU A 151 12.153 5.881 3.802 1.00 0.00 C ATOM 192 O LEU A 151 12.707 4.868 3.381 1.00 0.00 O ATOM 193 CB LEU A 151 12.494 7.636 2.067 1.00 0.00 C ATOM 194 CG LEU A 151 11.941 8.688 1.099 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.076 9.456 0.438 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.060 8.032 0.048 1.00 0.00 C ATOM 0 H LEU A 151 10.855 8.729 3.540 1.00 0.00 H new ATOM 0 HA LEU A 151 10.831 6.265 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.152 8.134 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.108 6.935 1.502 1.00 0.00 H new ATOM 0 HG LEU A 151 11.335 9.393 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.664 10.198 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.670 9.957 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 151 13.709 8.764 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 151 10.676 8.793 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 151 11.645 7.305 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.226 7.527 0.536 1.00 0.00 H new ATOM 208 N ASP A 152 12.125 6.206 5.088 1.00 0.00 N ATOM 209 CA ASP A 152 12.798 5.402 6.099 1.00 0.00 C ATOM 210 C ASP A 152 11.877 4.290 6.594 1.00 0.00 C ATOM 211 O ASP A 152 12.274 3.438 7.389 1.00 0.00 O ATOM 212 CB ASP A 152 13.241 6.295 7.266 1.00 0.00 C ATOM 213 CG ASP A 152 14.168 5.587 8.235 1.00 0.00 C ATOM 214 OD1 ASP A 152 15.368 5.431 7.909 1.00 0.00 O ATOM 215 OD2 ASP A 152 13.709 5.195 9.331 1.00 0.00 O ATOM 0 H ASP A 152 11.641 7.025 5.456 1.00 0.00 H new ATOM 0 HA ASP A 152 13.681 4.941 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.743 7.178 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.360 6.644 7.804 1.00 0.00 H new ATOM 221 N ILE A 153 10.652 4.278 6.089 1.00 0.00 N ATOM 222 CA ILE A 153 9.659 3.316 6.537 1.00 0.00 C ATOM 223 C ILE A 153 9.703 2.039 5.695 1.00 0.00 C ATOM 224 O ILE A 153 9.031 1.924 4.668 1.00 0.00 O ATOM 225 CB ILE A 153 8.235 3.919 6.505 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.186 5.214 7.320 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.211 2.925 7.038 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.551 5.029 8.776 1.00 0.00 C ATOM 0 H ILE A 153 10.323 4.923 5.370 1.00 0.00 H new ATOM 0 HA ILE A 153 9.904 3.061 7.568 1.00 0.00 H new ATOM 0 HB ILE A 153 7.986 4.145 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.865 5.940 6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.183 5.635 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.218 3.373 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.224 2.025 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.458 2.665 8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.494 5.988 9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.857 4.328 9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.565 4.637 8.850 1.00 0.00 H new ATOM 240 N ARG A 154 10.521 1.089 6.131 1.00 0.00 N ATOM 241 CA ARG A 154 10.561 -0.231 5.514 1.00 0.00 C ATOM 242 C ARG A 154 9.730 -1.195 6.346 1.00 0.00 C ATOM 243 O ARG A 154 9.505 -0.955 7.533 1.00 0.00 O ATOM 244 CB ARG A 154 11.997 -0.766 5.397 1.00 0.00 C ATOM 245 CG ARG A 154 12.915 0.060 4.510 1.00 0.00 C ATOM 246 CD ARG A 154 13.495 1.248 5.256 1.00 0.00 C ATOM 247 NE ARG A 154 14.393 2.046 4.423 1.00 0.00 N ATOM 248 CZ ARG A 154 15.138 3.044 4.895 1.00 0.00 C ATOM 249 NH1 ARG A 154 15.172 3.279 6.196 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.880 3.778 4.074 1.00 0.00 N ATOM 0 H ARG A 154 11.167 1.209 6.911 1.00 0.00 H new ATOM 0 HA ARG A 154 10.155 -0.145 4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.432 -0.821 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.960 -1.784 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 154 13.725 -0.568 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.361 0.412 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 154 12.682 1.879 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.037 0.893 6.133 1.00 0.00 H new ATOM 0 HE ARG A 154 14.452 1.827 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 154 14.629 2.697 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 154 15.741 4.042 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 154 15.882 3.579 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.448 4.540 4.444 1.00 0.00 H new ATOM 264 N GLN A 155 9.260 -2.264 5.722 1.00 0.00 N ATOM 265 CA GLN A 155 8.484 -3.281 6.423 1.00 0.00 C ATOM 266 C GLN A 155 9.420 -4.313 7.040 1.00 0.00 C ATOM 267 O GLN A 155 10.380 -4.737 6.400 1.00 0.00 O ATOM 268 CB GLN A 155 7.523 -3.974 5.453 1.00 0.00 C ATOM 269 CG GLN A 155 6.461 -4.816 6.144 1.00 0.00 C ATOM 270 CD GLN A 155 5.686 -5.688 5.177 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.540 -5.361 4.001 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.177 -6.805 5.670 1.00 0.00 N ATOM 0 H GLN A 155 9.402 -2.452 4.730 1.00 0.00 H new ATOM 0 HA GLN A 155 7.907 -2.799 7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.033 -3.219 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.097 -4.610 4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 155 6.936 -5.447 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 155 5.768 -4.159 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.320 -7.041 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.641 -7.430 5.068 1.00 0.00 H new ATOM 281 N GLY A 156 9.144 -4.706 8.280 1.00 0.00 N ATOM 282 CA GLY A 156 9.956 -5.712 8.935 1.00 0.00 C ATOM 283 C GLY A 156 9.810 -7.072 8.281 1.00 0.00 C ATOM 284 O GLY A 156 8.737 -7.397 7.771 1.00 0.00 O ATOM 0 H GLY A 156 8.373 -4.345 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.002 -5.407 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.671 -5.782 9.985 1.00 0.00 H new ATOM 288 N PRO A 157 10.873 -7.897 8.298 1.00 0.00 N ATOM 289 CA PRO A 157 10.910 -9.196 7.606 1.00 0.00 C ATOM 290 C PRO A 157 9.750 -10.113 7.988 1.00 0.00 C ATOM 291 O PRO A 157 9.298 -10.926 7.183 1.00 0.00 O ATOM 292 CB PRO A 157 12.247 -9.813 8.042 1.00 0.00 C ATOM 293 CG PRO A 157 12.722 -8.986 9.187 1.00 0.00 C ATOM 294 CD PRO A 157 12.136 -7.619 8.989 1.00 0.00 C ATOM 0 HA PRO A 157 10.818 -9.067 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.119 -10.854 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.968 -9.800 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.399 -9.414 10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.811 -8.943 9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 157 11.973 -7.109 9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.790 -6.982 8.393 1.00 0.00 H new ATOM 302 N LYS A 158 9.278 -9.986 9.220 1.00 0.00 N ATOM 303 CA LYS A 158 8.129 -10.756 9.673 1.00 0.00 C ATOM 304 C LYS A 158 7.095 -9.833 10.304 1.00 0.00 C ATOM 305 O LYS A 158 6.273 -10.260 11.118 1.00 0.00 O ATOM 306 CB LYS A 158 8.551 -11.839 10.668 1.00 0.00 C ATOM 307 CG LYS A 158 9.191 -11.292 11.928 1.00 0.00 C ATOM 308 CD LYS A 158 9.461 -12.397 12.937 1.00 0.00 C ATOM 309 CE LYS A 158 10.041 -11.847 14.229 1.00 0.00 C ATOM 310 NZ LYS A 158 11.380 -11.236 14.024 1.00 0.00 N ATOM 0 H LYS A 158 9.672 -9.359 9.922 1.00 0.00 H new ATOM 0 HA LYS A 158 7.685 -11.247 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 158 7.676 -12.429 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.252 -12.516 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 158 10.126 -10.791 11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 158 8.538 -10.542 12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 158 8.534 -12.929 13.151 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.152 -13.122 12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 158 9.362 -11.101 14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 158 10.118 -12.650 14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.797 -10.996 14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.998 -11.911 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 11.284 -10.372 13.453 1.00 0.00 H new ATOM 324 N GLU A 159 7.141 -8.566 9.923 1.00 0.00 N ATOM 325 CA GLU A 159 6.220 -7.580 10.456 1.00 0.00 C ATOM 326 C GLU A 159 4.955 -7.526 9.609 1.00 0.00 C ATOM 327 O GLU A 159 5.022 -7.314 8.396 1.00 0.00 O ATOM 328 CB GLU A 159 6.893 -6.209 10.502 1.00 0.00 C ATOM 329 CG GLU A 159 5.990 -5.095 10.994 1.00 0.00 C ATOM 330 CD GLU A 159 6.712 -3.772 11.082 1.00 0.00 C ATOM 331 OE1 GLU A 159 6.614 -3.102 12.133 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.393 -3.397 10.103 1.00 0.00 O ATOM 0 H GLU A 159 7.808 -8.198 9.245 1.00 0.00 H new ATOM 0 HA GLU A 159 5.942 -7.867 11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 159 7.768 -6.267 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.252 -5.958 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.137 -4.998 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.594 -5.357 11.975 1.00 0.00 H new ATOM 340 N PRO A 160 3.792 -7.759 10.239 1.00 0.00 N ATOM 341 CA PRO A 160 2.495 -7.698 9.566 1.00 0.00 C ATOM 342 C PRO A 160 2.289 -6.380 8.824 1.00 0.00 C ATOM 343 O PRO A 160 2.556 -5.298 9.349 1.00 0.00 O ATOM 344 CB PRO A 160 1.470 -7.830 10.702 1.00 0.00 C ATOM 345 CG PRO A 160 2.246 -7.717 11.974 1.00 0.00 C ATOM 346 CD PRO A 160 3.655 -8.118 11.658 1.00 0.00 C ATOM 0 HA PRO A 160 2.405 -8.478 8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 160 0.713 -7.049 10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 160 0.948 -8.785 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.211 -6.698 12.359 1.00 0.00 H new ATOM 0 HG3 PRO A 160 1.823 -8.363 12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.375 -7.586 12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 160 3.818 -9.183 11.822 1.00 0.00 H new ATOM 354 N PHE A 161 1.789 -6.503 7.597 1.00 0.00 N ATOM 355 CA PHE A 161 1.580 -5.369 6.699 1.00 0.00 C ATOM 356 C PHE A 161 0.696 -4.291 7.330 1.00 0.00 C ATOM 357 O PHE A 161 0.814 -3.113 6.996 1.00 0.00 O ATOM 358 CB PHE A 161 0.954 -5.875 5.397 1.00 0.00 C ATOM 359 CG PHE A 161 0.847 -4.842 4.315 1.00 0.00 C ATOM 360 CD1 PHE A 161 1.944 -4.526 3.531 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.351 -4.195 4.077 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.845 -3.581 2.529 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.458 -3.251 3.077 1.00 0.00 C ATOM 364 CZ PHE A 161 0.641 -2.942 2.303 1.00 0.00 C ATOM 0 H PHE A 161 1.515 -7.399 7.194 1.00 0.00 H new ATOM 0 HA PHE A 161 2.547 -4.908 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.546 -6.712 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.042 -6.260 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 161 2.887 -5.024 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.214 -4.432 4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.707 -3.342 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.401 -2.755 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.561 -2.201 1.521 1.00 0.00 H new ATOM 374 N ARG A 162 -0.180 -4.697 8.247 1.00 0.00 N ATOM 375 CA ARG A 162 -1.069 -3.752 8.924 1.00 0.00 C ATOM 376 C ARG A 162 -0.245 -2.745 9.707 1.00 0.00 C ATOM 377 O ARG A 162 -0.386 -1.536 9.550 1.00 0.00 O ATOM 378 CB ARG A 162 -1.978 -4.453 9.934 1.00 0.00 C ATOM 379 CG ARG A 162 -2.512 -5.809 9.514 1.00 0.00 C ATOM 380 CD ARG A 162 -3.010 -6.562 10.737 1.00 0.00 C ATOM 381 NE ARG A 162 -2.012 -6.537 11.811 1.00 0.00 N ATOM 382 CZ ARG A 162 -2.178 -7.077 13.014 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.328 -7.659 13.339 1.00 0.00 N ATOM 384 NH2 ARG A 162 -1.193 -7.005 13.895 1.00 0.00 N ATOM 0 H ARG A 162 -0.294 -5.668 8.538 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.671 -3.274 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.427 -4.574 10.867 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.825 -3.800 10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.322 -5.685 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.729 -6.381 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.940 -6.116 11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.233 -7.594 10.467 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.125 -6.071 11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.091 -7.694 12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.447 -8.071 14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.320 -6.539 13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.307 -7.415 14.822 1.00 0.00 H new ATOM 398 N ASP A 163 0.636 -3.285 10.536 1.00 0.00 N ATOM 399 CA ASP A 163 1.444 -2.498 11.453 1.00 0.00 C ATOM 400 C ASP A 163 2.435 -1.635 10.686 1.00 0.00 C ATOM 401 O ASP A 163 2.814 -0.551 11.134 1.00 0.00 O ATOM 402 CB ASP A 163 2.173 -3.438 12.418 1.00 0.00 C ATOM 403 CG ASP A 163 1.217 -4.359 13.164 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.141 -4.266 14.405 1.00 0.00 O ATOM 405 OD2 ASP A 163 0.526 -5.176 12.507 1.00 0.00 O ATOM 0 H ASP A 163 0.811 -4.288 10.591 1.00 0.00 H new ATOM 0 HA ASP A 163 0.797 -1.832 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.892 -4.039 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.740 -2.847 13.138 1.00 0.00 H new ATOM 411 N TYR A 164 2.840 -2.124 9.520 1.00 0.00 N ATOM 412 CA TYR A 164 3.677 -1.357 8.612 1.00 0.00 C ATOM 413 C TYR A 164 2.908 -0.143 8.094 1.00 0.00 C ATOM 414 O TYR A 164 3.382 0.990 8.187 1.00 0.00 O ATOM 415 CB TYR A 164 4.134 -2.248 7.452 1.00 0.00 C ATOM 416 CG TYR A 164 4.746 -1.503 6.286 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.919 -0.774 6.431 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.148 -1.539 5.032 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.476 -0.100 5.361 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.700 -0.868 3.956 1.00 0.00 C ATOM 421 CZ TYR A 164 5.864 -0.151 4.126 1.00 0.00 C ATOM 422 OH TYR A 164 6.418 0.521 3.058 1.00 0.00 O ATOM 0 H TYR A 164 2.599 -3.055 9.181 1.00 0.00 H new ATOM 0 HA TYR A 164 4.559 -1.002 9.145 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.862 -2.967 7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.279 -2.819 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.404 -0.733 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.236 -2.101 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.387 0.465 5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.222 -0.906 2.989 1.00 0.00 H new ATOM 0 HH TYR A 164 6.057 1.431 3.021 1.00 0.00 H new ATOM 432 N VAL A 165 1.708 -0.394 7.578 1.00 0.00 N ATOM 433 CA VAL A 165 0.842 0.663 7.068 1.00 0.00 C ATOM 434 C VAL A 165 0.464 1.654 8.169 1.00 0.00 C ATOM 435 O VAL A 165 0.335 2.852 7.910 1.00 0.00 O ATOM 436 CB VAL A 165 -0.432 0.068 6.414 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.563 1.082 6.343 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.112 -0.432 5.017 1.00 0.00 C ATOM 0 H VAL A 165 1.311 -1.330 7.502 1.00 0.00 H new ATOM 0 HA VAL A 165 1.401 1.205 6.305 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.763 -0.760 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.435 0.622 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.820 1.412 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.246 1.940 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.012 -0.848 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.250 0.396 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.656 -1.204 5.074 1.00 0.00 H new ATOM 448 N ASP A 166 0.308 1.154 9.393 1.00 0.00 N ATOM 449 CA ASP A 166 -0.050 1.996 10.533 1.00 0.00 C ATOM 450 C ASP A 166 0.886 3.195 10.657 1.00 0.00 C ATOM 451 O ASP A 166 0.430 4.336 10.727 1.00 0.00 O ATOM 452 CB ASP A 166 -0.019 1.177 11.829 1.00 0.00 C ATOM 453 CG ASP A 166 -0.229 2.027 13.071 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.384 2.143 13.537 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.762 2.570 13.599 1.00 0.00 O ATOM 0 H ASP A 166 0.424 0.167 9.621 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.060 2.369 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.791 0.409 11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.939 0.662 11.905 1.00 0.00 H new ATOM 461 N ARG A 167 2.191 2.947 10.628 1.00 0.00 N ATOM 462 CA ARG A 167 3.155 4.031 10.758 1.00 0.00 C ATOM 463 C ARG A 167 3.426 4.672 9.403 1.00 0.00 C ATOM 464 O ARG A 167 3.688 5.870 9.317 1.00 0.00 O ATOM 465 CB ARG A 167 4.466 3.544 11.387 1.00 0.00 C ATOM 466 CG ARG A 167 5.271 2.604 10.503 1.00 0.00 C ATOM 467 CD ARG A 167 6.599 2.237 11.142 1.00 0.00 C ATOM 468 NE ARG A 167 7.343 1.270 10.334 1.00 0.00 N ATOM 469 CZ ARG A 167 7.293 -0.044 10.529 1.00 0.00 C ATOM 470 NH1 ARG A 167 6.536 -0.544 11.493 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.997 -0.864 9.767 1.00 0.00 N ATOM 0 H ARG A 167 2.600 2.019 10.517 1.00 0.00 H new ATOM 0 HA ARG A 167 2.722 4.779 11.422 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.081 4.409 11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.239 3.037 12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.695 1.698 10.314 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.449 3.076 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.199 3.137 11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.422 1.822 12.134 1.00 0.00 H new ATOM 0 HE ARG A 167 7.932 1.624 9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 167 5.990 0.079 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 167 6.499 -1.553 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.585 -0.490 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 167 7.952 -1.871 9.924 1.00 0.00 H new ATOM 485 N PHE A 168 3.349 3.874 8.349 1.00 0.00 N ATOM 486 CA PHE A 168 3.576 4.362 6.995 1.00 0.00 C ATOM 487 C PHE A 168 2.603 5.496 6.677 1.00 0.00 C ATOM 488 O PHE A 168 3.004 6.576 6.243 1.00 0.00 O ATOM 489 CB PHE A 168 3.405 3.207 6.001 1.00 0.00 C ATOM 490 CG PHE A 168 3.682 3.570 4.570 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.719 4.204 3.811 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.898 3.268 3.983 1.00 0.00 C ATOM 493 CE1 PHE A 168 2.959 4.536 2.498 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.147 3.596 2.661 1.00 0.00 C ATOM 495 CZ PHE A 168 4.173 4.234 1.918 1.00 0.00 C ATOM 0 H PHE A 168 3.130 2.879 8.405 1.00 0.00 H new ATOM 0 HA PHE A 168 4.591 4.750 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.070 2.393 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.386 2.828 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.764 4.443 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.662 2.771 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.195 5.034 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.099 3.354 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.361 4.495 0.887 1.00 0.00 H new ATOM 505 N TYR A 169 1.329 5.246 6.938 1.00 0.00 N ATOM 506 CA TYR A 169 0.271 6.206 6.661 1.00 0.00 C ATOM 507 C TYR A 169 0.420 7.481 7.497 1.00 0.00 C ATOM 508 O TYR A 169 0.361 8.590 6.959 1.00 0.00 O ATOM 509 CB TYR A 169 -1.090 5.535 6.900 1.00 0.00 C ATOM 510 CG TYR A 169 -2.188 6.457 7.383 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.585 7.558 6.636 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.827 6.222 8.594 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.590 8.394 7.082 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.834 7.052 9.043 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.210 8.137 8.287 1.00 0.00 C ATOM 516 OH TYR A 169 -5.215 8.966 8.734 1.00 0.00 O ATOM 0 H TYR A 169 0.999 4.372 7.348 1.00 0.00 H new ATOM 0 HA TYR A 169 0.343 6.515 5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.414 5.066 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.960 4.737 7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.101 7.764 5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.530 5.375 9.195 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -3.889 9.246 6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.324 6.850 9.984 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.545 8.643 9.598 1.00 0.00 H new ATOM 526 N LYS A 170 0.629 7.332 8.803 1.00 0.00 N ATOM 527 CA LYS A 170 0.698 8.493 9.687 1.00 0.00 C ATOM 528 C LYS A 170 1.929 9.344 9.379 1.00 0.00 C ATOM 529 O LYS A 170 1.905 10.563 9.553 1.00 0.00 O ATOM 530 CB LYS A 170 0.684 8.070 11.162 1.00 0.00 C ATOM 531 CG LYS A 170 1.861 7.207 11.579 1.00 0.00 C ATOM 532 CD LYS A 170 1.744 6.775 13.032 1.00 0.00 C ATOM 533 CE LYS A 170 0.479 5.965 13.275 1.00 0.00 C ATOM 534 NZ LYS A 170 0.367 5.502 14.680 1.00 0.00 N ATOM 0 H LYS A 170 0.752 6.432 9.268 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.188 9.100 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.667 8.965 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -0.239 7.526 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 170 1.913 6.326 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 170 2.789 7.761 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 170 2.616 6.181 13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.742 7.655 13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -0.391 6.571 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.469 5.102 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 0.486 4.469 14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 1.106 5.955 15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.569 5.756 15.056 1.00 0.00 H new ATOM 548 N THR A 171 2.993 8.705 8.897 1.00 0.00 N ATOM 549 CA THR A 171 4.199 9.428 8.521 1.00 0.00 C ATOM 550 C THR A 171 3.973 10.177 7.209 1.00 0.00 C ATOM 551 O THR A 171 4.399 11.318 7.061 1.00 0.00 O ATOM 552 CB THR A 171 5.415 8.487 8.394 1.00 0.00 C ATOM 553 OG1 THR A 171 5.536 7.687 9.579 1.00 0.00 O ATOM 554 CG2 THR A 171 6.697 9.281 8.191 1.00 0.00 C ATOM 0 H THR A 171 3.042 7.695 8.759 1.00 0.00 H new ATOM 0 HA THR A 171 4.418 10.143 9.314 1.00 0.00 H new ATOM 0 HB THR A 171 5.260 7.845 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 171 4.856 6.981 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.540 8.595 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.617 9.875 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.854 9.943 9.043 1.00 0.00 H new ATOM 562 N LEU A 172 3.274 9.538 6.268 1.00 0.00 N ATOM 563 CA LEU A 172 2.893 10.190 5.014 1.00 0.00 C ATOM 564 C LEU A 172 2.100 11.457 5.282 1.00 0.00 C ATOM 565 O LEU A 172 2.274 12.474 4.610 1.00 0.00 O ATOM 566 CB LEU A 172 2.047 9.259 4.149 1.00 0.00 C ATOM 567 CG LEU A 172 2.806 8.264 3.300 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.820 7.483 2.465 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.820 8.971 2.412 1.00 0.00 C ATOM 0 H LEU A 172 2.961 8.571 6.351 1.00 0.00 H new ATOM 0 HA LEU A 172 3.814 10.439 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 172 1.370 8.707 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.429 9.870 3.491 1.00 0.00 H new ATOM 0 HG LEU A 172 3.357 7.582 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 172 2.356 6.762 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 172 1.126 6.956 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 172 1.264 8.167 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 172 4.353 8.234 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 172 3.303 9.670 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.531 9.515 3.034 1.00 0.00 H new ATOM 581 N ARG A 173 1.224 11.387 6.268 1.00 0.00 N ATOM 582 CA ARG A 173 0.387 12.515 6.629 1.00 0.00 C ATOM 583 C ARG A 173 1.232 13.675 7.158 1.00 0.00 C ATOM 584 O ARG A 173 0.823 14.833 7.089 1.00 0.00 O ATOM 585 CB ARG A 173 -0.634 12.076 7.672 1.00 0.00 C ATOM 586 CG ARG A 173 -1.859 12.960 7.719 1.00 0.00 C ATOM 587 CD ARG A 173 -2.950 12.354 8.580 1.00 0.00 C ATOM 588 NE ARG A 173 -4.237 12.993 8.324 1.00 0.00 N ATOM 589 CZ ARG A 173 -5.344 12.767 9.022 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.322 11.952 10.068 1.00 0.00 N ATOM 591 NH2 ARG A 173 -6.471 13.375 8.675 1.00 0.00 N ATOM 0 H ARG A 173 1.074 10.554 6.837 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.136 12.865 5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.942 11.052 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.161 12.070 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.587 13.940 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.236 13.115 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.025 11.285 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.689 12.463 9.633 1.00 0.00 H new ATOM 0 HE ARG A 173 -4.290 13.660 7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.452 11.495 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.175 11.782 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.483 14.011 7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -7.326 13.207 9.206 1.00 0.00 H new ATOM 605 N ALA A 174 2.419 13.356 7.660 1.00 0.00 N ATOM 606 CA ALA A 174 3.313 14.362 8.221 1.00 0.00 C ATOM 607 C ALA A 174 4.356 14.815 7.200 1.00 0.00 C ATOM 608 O ALA A 174 5.012 15.843 7.390 1.00 0.00 O ATOM 609 CB ALA A 174 3.994 13.816 9.468 1.00 0.00 C ATOM 0 H ALA A 174 2.786 12.405 7.690 1.00 0.00 H new ATOM 0 HA ALA A 174 2.715 15.232 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.660 14.574 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.239 13.554 10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.571 12.929 9.208 1.00 0.00 H new ATOM 615 N GLU A 175 4.509 14.039 6.123 1.00 0.00 N ATOM 616 CA GLU A 175 5.462 14.367 5.062 1.00 0.00 C ATOM 617 C GLU A 175 5.166 15.729 4.458 1.00 0.00 C ATOM 618 O GLU A 175 4.010 16.152 4.379 1.00 0.00 O ATOM 619 CB GLU A 175 5.442 13.305 3.958 1.00 0.00 C ATOM 620 CG GLU A 175 6.135 12.004 4.332 1.00 0.00 C ATOM 621 CD GLU A 175 7.612 12.194 4.632 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.453 11.854 3.770 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.947 12.699 5.718 1.00 0.00 O ATOM 0 H GLU A 175 3.984 13.179 5.964 1.00 0.00 H new ATOM 0 HA GLU A 175 6.453 14.391 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.406 13.089 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.918 13.714 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.644 11.573 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 175 6.023 11.289 3.517 1.00 0.00 H new ATOM 631 N GLN A 176 6.221 16.397 4.020 1.00 0.00 N ATOM 632 CA GLN A 176 6.114 17.720 3.420 1.00 0.00 C ATOM 633 C GLN A 176 6.011 17.609 1.898 1.00 0.00 C ATOM 634 O GLN A 176 6.992 17.781 1.172 1.00 0.00 O ATOM 635 CB GLN A 176 7.315 18.583 3.838 1.00 0.00 C ATOM 636 CG GLN A 176 8.661 17.890 3.670 1.00 0.00 C ATOM 637 CD GLN A 176 9.815 18.677 4.261 1.00 0.00 C ATOM 638 OE1 GLN A 176 9.693 19.997 4.276 1.00 0.00 O flip ATOM 639 NE2 GLN A 176 10.811 18.098 4.705 1.00 0.00 N flip ATOM 0 H GLN A 176 7.175 16.039 4.070 1.00 0.00 H new ATOM 0 HA GLN A 176 5.206 18.204 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.314 19.500 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 176 7.195 18.874 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 176 8.619 16.909 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 176 8.848 17.725 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 176 10.865 17.080 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 176 11.580 18.638 5.103 1.00 0.00 H new ATOM 648 N ALA A 177 4.804 17.315 1.430 1.00 0.00 N ATOM 649 CA ALA A 177 4.547 17.097 0.012 1.00 0.00 C ATOM 650 C ALA A 177 3.061 17.270 -0.282 1.00 0.00 C ATOM 651 O ALA A 177 2.229 17.140 0.614 1.00 0.00 O ATOM 652 CB ALA A 177 5.004 15.702 -0.394 1.00 0.00 C ATOM 0 H ALA A 177 3.978 17.221 2.021 1.00 0.00 H new ATOM 0 HA ALA A 177 5.108 17.832 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.808 15.549 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 177 6.072 15.600 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.459 14.957 0.187 1.00 0.00 H new ATOM 658 N SER A 178 2.731 17.570 -1.527 1.00 0.00 N ATOM 659 CA SER A 178 1.342 17.756 -1.918 1.00 0.00 C ATOM 660 C SER A 178 0.627 16.412 -2.028 1.00 0.00 C ATOM 661 O SER A 178 1.246 15.414 -2.397 1.00 0.00 O ATOM 662 CB SER A 178 1.273 18.519 -3.238 1.00 0.00 C ATOM 663 OG SER A 178 1.910 19.781 -3.118 1.00 0.00 O ATOM 0 H SER A 178 3.404 17.690 -2.284 1.00 0.00 H new ATOM 0 HA SER A 178 0.835 18.340 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.751 17.937 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.232 18.657 -3.531 1.00 0.00 H new ATOM 0 HG SER A 178 1.858 20.256 -3.973 1.00 0.00 H new ATOM 669 N GLN A 179 -0.660 16.387 -1.690 1.00 0.00 N ATOM 670 CA GLN A 179 -1.409 15.138 -1.542 1.00 0.00 C ATOM 671 C GLN A 179 -1.284 14.228 -2.769 1.00 0.00 C ATOM 672 O GLN A 179 -0.988 13.038 -2.632 1.00 0.00 O ATOM 673 CB GLN A 179 -2.881 15.436 -1.244 1.00 0.00 C ATOM 674 CG GLN A 179 -3.702 14.201 -0.916 1.00 0.00 C ATOM 675 CD GLN A 179 -5.107 14.535 -0.451 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.354 14.706 0.745 1.00 0.00 O ATOM 677 NE2 GLN A 179 -6.037 14.634 -1.387 1.00 0.00 N ATOM 0 H GLN A 179 -1.212 17.226 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.972 14.598 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.939 16.132 -0.407 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.323 15.936 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.758 13.563 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.194 13.628 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.793 14.485 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.998 14.859 -1.129 1.00 0.00 H new ATOM 686 N GLU A 180 -1.466 14.790 -3.963 1.00 0.00 N ATOM 687 CA GLU A 180 -1.430 13.997 -5.188 1.00 0.00 C ATOM 688 C GLU A 180 -0.031 13.430 -5.416 1.00 0.00 C ATOM 689 O GLU A 180 0.130 12.339 -5.966 1.00 0.00 O ATOM 690 CB GLU A 180 -1.875 14.818 -6.409 1.00 0.00 C ATOM 691 CG GLU A 180 -0.952 15.976 -6.761 1.00 0.00 C ATOM 692 CD GLU A 180 -1.322 17.267 -6.062 1.00 0.00 C ATOM 693 OE1 GLU A 180 -1.667 18.246 -6.759 1.00 0.00 O ATOM 694 OE2 GLU A 180 -1.273 17.313 -4.819 1.00 0.00 O ATOM 0 H GLU A 180 -1.639 15.785 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.133 13.173 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.949 14.154 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.875 15.210 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 180 0.072 15.709 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -0.974 16.135 -7.839 1.00 0.00 H new ATOM 702 N VAL A 181 0.977 14.172 -4.973 1.00 0.00 N ATOM 703 CA VAL A 181 2.358 13.725 -5.071 1.00 0.00 C ATOM 704 C VAL A 181 2.603 12.605 -4.072 1.00 0.00 C ATOM 705 O VAL A 181 3.271 11.615 -4.375 1.00 0.00 O ATOM 706 CB VAL A 181 3.349 14.880 -4.809 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.786 14.411 -4.983 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.053 16.057 -5.725 1.00 0.00 C ATOM 0 H VAL A 181 0.861 15.089 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 181 2.524 13.363 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 181 3.223 15.208 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.465 15.242 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.993 13.605 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.930 14.050 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.762 16.861 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.145 15.742 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.039 16.414 -5.543 1.00 0.00 H new ATOM 718 N LYS A 182 2.035 12.765 -2.880 1.00 0.00 N ATOM 719 CA LYS A 182 2.121 11.745 -1.845 1.00 0.00 C ATOM 720 C LYS A 182 1.533 10.432 -2.337 1.00 0.00 C ATOM 721 O LYS A 182 2.102 9.369 -2.096 1.00 0.00 O ATOM 722 CB LYS A 182 1.397 12.189 -0.570 1.00 0.00 C ATOM 723 CG LYS A 182 2.115 13.292 0.185 1.00 0.00 C ATOM 724 CD LYS A 182 1.392 13.647 1.474 1.00 0.00 C ATOM 725 CE LYS A 182 2.191 14.648 2.291 1.00 0.00 C ATOM 726 NZ LYS A 182 1.501 15.019 3.555 1.00 0.00 N ATOM 0 H LYS A 182 1.509 13.595 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 182 3.176 11.599 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.396 12.532 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.277 11.328 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.133 12.975 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.190 14.177 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.411 14.062 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.225 12.744 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 182 3.169 14.227 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 182 2.363 15.545 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.057 15.741 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.557 15.398 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.405 14.177 4.158 1.00 0.00 H new ATOM 740 N ASN A 183 0.395 10.505 -3.026 1.00 0.00 N ATOM 741 CA ASN A 183 -0.225 9.307 -3.580 1.00 0.00 C ATOM 742 C ASN A 183 0.719 8.642 -4.561 1.00 0.00 C ATOM 743 O ASN A 183 1.041 7.470 -4.407 1.00 0.00 O ATOM 744 CB ASN A 183 -1.550 9.609 -4.290 1.00 0.00 C ATOM 745 CG ASN A 183 -2.529 10.382 -3.429 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.533 10.258 -2.208 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.374 11.179 -4.064 1.00 0.00 N ATOM 0 H ASN A 183 -0.110 11.372 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.436 8.642 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.347 10.178 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.011 8.671 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -4.061 11.718 -3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.338 11.254 -5.081 1.00 0.00 H new ATOM 754 N ALA A 184 1.190 9.416 -5.540 1.00 0.00 N ATOM 755 CA ALA A 184 2.068 8.900 -6.587 1.00 0.00 C ATOM 756 C ALA A 184 3.310 8.249 -5.993 1.00 0.00 C ATOM 757 O ALA A 184 3.769 7.203 -6.462 1.00 0.00 O ATOM 758 CB ALA A 184 2.463 10.018 -7.536 1.00 0.00 C ATOM 0 H ALA A 184 0.975 10.409 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 184 1.521 8.138 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.118 9.622 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.568 10.439 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.987 10.797 -6.982 1.00 0.00 H new ATOM 764 N ALA A 185 3.850 8.871 -4.955 1.00 0.00 N ATOM 765 CA ALA A 185 4.981 8.310 -4.239 1.00 0.00 C ATOM 766 C ALA A 185 4.591 6.995 -3.570 1.00 0.00 C ATOM 767 O ALA A 185 5.255 5.980 -3.748 1.00 0.00 O ATOM 768 CB ALA A 185 5.495 9.305 -3.208 1.00 0.00 C ATOM 0 H ALA A 185 3.521 9.765 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 185 5.780 8.106 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.343 8.873 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.809 10.220 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.701 9.535 -2.497 1.00 0.00 H new ATOM 774 N THR A 186 3.483 7.021 -2.841 1.00 0.00 N ATOM 775 CA THR A 186 2.996 5.854 -2.113 1.00 0.00 C ATOM 776 C THR A 186 2.735 4.682 -3.049 1.00 0.00 C ATOM 777 O THR A 186 3.042 3.533 -2.718 1.00 0.00 O ATOM 778 CB THR A 186 1.695 6.187 -1.361 1.00 0.00 C ATOM 779 OG1 THR A 186 1.900 7.311 -0.504 1.00 0.00 O ATOM 780 CG2 THR A 186 1.209 4.998 -0.543 1.00 0.00 C ATOM 0 H THR A 186 2.897 7.849 -2.737 1.00 0.00 H new ATOM 0 HA THR A 186 3.773 5.574 -1.402 1.00 0.00 H new ATOM 0 HB THR A 186 0.931 6.427 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.611 8.128 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.289 5.265 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.020 4.153 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.970 4.723 0.187 1.00 0.00 H new ATOM 788 N GLU A 187 2.176 4.987 -4.215 1.00 0.00 N ATOM 789 CA GLU A 187 1.824 3.969 -5.195 1.00 0.00 C ATOM 790 C GLU A 187 3.015 3.066 -5.514 1.00 0.00 C ATOM 791 O GLU A 187 2.853 1.862 -5.714 1.00 0.00 O ATOM 792 CB GLU A 187 1.299 4.626 -6.474 1.00 0.00 C ATOM 793 CG GLU A 187 0.038 5.463 -6.270 1.00 0.00 C ATOM 794 CD GLU A 187 -0.492 6.044 -7.566 1.00 0.00 C ATOM 795 OE1 GLU A 187 -0.833 5.263 -8.478 1.00 0.00 O ATOM 796 OE2 GLU A 187 -0.584 7.283 -7.675 1.00 0.00 O ATOM 0 H GLU A 187 1.956 5.940 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 187 1.039 3.347 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.081 5.261 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.092 3.850 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.734 4.845 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.253 6.274 -5.574 1.00 0.00 H new ATOM 804 N THR A 188 4.205 3.651 -5.557 1.00 0.00 N ATOM 805 CA THR A 188 5.418 2.894 -5.824 1.00 0.00 C ATOM 806 C THR A 188 6.145 2.506 -4.531 1.00 0.00 C ATOM 807 O THR A 188 6.571 1.359 -4.362 1.00 0.00 O ATOM 808 CB THR A 188 6.374 3.687 -6.741 1.00 0.00 C ATOM 809 OG1 THR A 188 6.591 5.006 -6.215 1.00 0.00 O ATOM 810 CG2 THR A 188 5.808 3.788 -8.148 1.00 0.00 C ATOM 0 H THR A 188 4.355 4.649 -5.410 1.00 0.00 H new ATOM 0 HA THR A 188 5.114 1.979 -6.331 1.00 0.00 H new ATOM 0 HB THR A 188 7.324 3.154 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 188 7.200 5.497 -6.805 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.497 4.351 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 188 5.675 2.787 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.845 4.299 -8.117 1.00 0.00 H new ATOM 818 N LEU A 189 6.260 3.465 -3.615 1.00 0.00 N ATOM 819 CA LEU A 189 7.056 3.295 -2.400 1.00 0.00 C ATOM 820 C LEU A 189 6.527 2.184 -1.503 1.00 0.00 C ATOM 821 O LEU A 189 7.311 1.439 -0.925 1.00 0.00 O ATOM 822 CB LEU A 189 7.118 4.602 -1.611 1.00 0.00 C ATOM 823 CG LEU A 189 7.884 5.737 -2.292 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.778 7.012 -1.473 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.342 5.349 -2.489 1.00 0.00 C ATOM 0 H LEU A 189 5.808 4.376 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 189 8.057 3.010 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.100 4.938 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.579 4.403 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 189 7.440 5.918 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.328 7.811 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.730 7.297 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.199 6.844 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.874 6.167 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.798 5.144 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.400 4.457 -3.113 1.00 0.00 H new ATOM 837 N LEU A 190 5.209 2.068 -1.391 1.00 0.00 N ATOM 838 CA LEU A 190 4.605 1.059 -0.519 1.00 0.00 C ATOM 839 C LEU A 190 5.072 -0.338 -0.909 1.00 0.00 C ATOM 840 O LEU A 190 5.383 -1.168 -0.056 1.00 0.00 O ATOM 841 CB LEU A 190 3.077 1.119 -0.594 1.00 0.00 C ATOM 842 CG LEU A 190 2.349 0.109 0.295 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.446 0.516 1.755 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.900 -0.029 -0.136 1.00 0.00 C ATOM 0 H LEU A 190 4.539 2.655 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 190 4.921 1.273 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.753 2.123 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.772 0.958 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 190 2.830 -0.863 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.922 -0.214 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.494 0.557 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 190 1.991 1.497 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.396 -0.751 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.403 0.938 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.859 -0.373 -1.170 1.00 0.00 H new ATOM 856 N VAL A 191 5.129 -0.581 -2.209 1.00 0.00 N ATOM 857 CA VAL A 191 5.528 -1.878 -2.728 1.00 0.00 C ATOM 858 C VAL A 191 7.047 -2.035 -2.667 1.00 0.00 C ATOM 859 O VAL A 191 7.563 -3.112 -2.376 1.00 0.00 O ATOM 860 CB VAL A 191 5.041 -2.056 -4.184 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.316 -3.461 -4.688 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.562 -1.723 -4.298 1.00 0.00 C ATOM 0 H VAL A 191 4.903 0.108 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 191 5.068 -2.647 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 191 5.600 -1.362 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.962 -3.555 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.388 -3.656 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.796 -4.182 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.238 -1.854 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.989 -2.387 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.397 -0.689 -3.995 1.00 0.00 H new ATOM 872 N GLN A 192 7.749 -0.941 -2.919 1.00 0.00 N ATOM 873 CA GLN A 192 9.200 -0.946 -2.978 1.00 0.00 C ATOM 874 C GLN A 192 9.814 -1.082 -1.582 1.00 0.00 C ATOM 875 O GLN A 192 10.823 -1.762 -1.408 1.00 0.00 O ATOM 876 CB GLN A 192 9.674 0.340 -3.657 1.00 0.00 C ATOM 877 CG GLN A 192 11.034 0.222 -4.323 1.00 0.00 C ATOM 878 CD GLN A 192 12.198 0.340 -3.353 1.00 0.00 C ATOM 879 OE1 GLN A 192 12.029 1.143 -2.316 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 13.248 -0.271 -3.551 1.00 0.00 N flip ATOM 0 H GLN A 192 7.329 -0.027 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 192 9.529 -1.808 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 192 8.939 0.636 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.712 1.138 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.096 -0.737 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.125 0.997 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 192 13.338 -0.881 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 192 14.028 -0.167 -2.902 1.00 0.00 H new ATOM 889 N ASN A 193 9.196 -0.441 -0.592 1.00 0.00 N ATOM 890 CA ASN A 193 9.722 -0.450 0.774 1.00 0.00 C ATOM 891 C ASN A 193 9.270 -1.693 1.532 1.00 0.00 C ATOM 892 O ASN A 193 9.534 -1.833 2.732 1.00 0.00 O ATOM 893 CB ASN A 193 9.280 0.798 1.545 1.00 0.00 C ATOM 894 CG ASN A 193 9.831 2.091 0.971 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.912 2.120 0.380 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.089 3.175 1.149 1.00 0.00 N ATOM 0 H ASN A 193 8.333 0.090 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 193 10.809 -0.456 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.191 0.846 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.599 0.706 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.407 4.075 0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.200 3.109 1.644 1.00 0.00 H new ATOM 903 N ALA A 194 8.584 -2.586 0.837 1.00 0.00 N ATOM 904 CA ALA A 194 8.130 -3.830 1.432 1.00 0.00 C ATOM 905 C ALA A 194 9.155 -4.927 1.186 1.00 0.00 C ATOM 906 O ALA A 194 9.987 -4.811 0.285 1.00 0.00 O ATOM 907 CB ALA A 194 6.778 -4.223 0.859 1.00 0.00 C ATOM 0 H ALA A 194 8.329 -2.470 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 194 8.020 -3.691 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.448 -5.157 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.051 -3.439 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.864 -4.354 -0.220 1.00 0.00 H new ATOM 913 N ASN A 195 9.104 -5.982 1.990 1.00 0.00 N ATOM 914 CA ASN A 195 10.018 -7.110 1.826 1.00 0.00 C ATOM 915 C ASN A 195 9.816 -7.756 0.465 1.00 0.00 C ATOM 916 O ASN A 195 8.702 -7.738 -0.053 1.00 0.00 O ATOM 917 CB ASN A 195 9.795 -8.168 2.914 1.00 0.00 C ATOM 918 CG ASN A 195 10.004 -7.641 4.317 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.124 -7.618 4.819 1.00 0.00 O ATOM 920 ND2 ASN A 195 8.920 -7.253 4.974 1.00 0.00 N ATOM 0 H ASN A 195 8.443 -6.082 2.760 1.00 0.00 H new ATOM 0 HA ASN A 195 11.034 -6.725 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.781 -8.559 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.474 -9.003 2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 195 8.998 -6.919 5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.008 -7.288 4.519 1.00 0.00 H new ATOM 927 N PRO A 196 10.867 -8.336 -0.136 1.00 0.00 N ATOM 928 CA PRO A 196 10.765 -9.000 -1.438 1.00 0.00 C ATOM 929 C PRO A 196 9.601 -9.986 -1.471 1.00 0.00 C ATOM 930 O PRO A 196 8.805 -10.007 -2.414 1.00 0.00 O ATOM 931 CB PRO A 196 12.106 -9.738 -1.586 1.00 0.00 C ATOM 932 CG PRO A 196 12.779 -9.632 -0.256 1.00 0.00 C ATOM 933 CD PRO A 196 12.233 -8.394 0.391 1.00 0.00 C ATOM 0 HA PRO A 196 10.577 -8.294 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.950 -10.781 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.716 -9.288 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.576 -10.512 0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.861 -9.566 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.246 -8.465 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.809 -7.508 0.123 1.00 0.00 H new ATOM 941 N ASP A 197 9.498 -10.768 -0.403 1.00 0.00 N ATOM 942 CA ASP A 197 8.415 -11.731 -0.239 1.00 0.00 C ATOM 943 C ASP A 197 7.056 -11.043 -0.265 1.00 0.00 C ATOM 944 O ASP A 197 6.172 -11.429 -1.028 1.00 0.00 O ATOM 945 CB ASP A 197 8.576 -12.488 1.080 1.00 0.00 C ATOM 946 CG ASP A 197 7.386 -13.377 1.386 1.00 0.00 C ATOM 947 OD1 ASP A 197 7.256 -14.445 0.753 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.583 -13.014 2.265 1.00 0.00 O ATOM 0 H ASP A 197 10.161 -10.753 0.372 1.00 0.00 H new ATOM 0 HA ASP A 197 8.465 -12.432 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.479 -13.097 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.710 -11.773 1.892 1.00 0.00 H new ATOM 954 N CYS A 198 6.907 -10.013 0.560 1.00 0.00 N ATOM 955 CA CYS A 198 5.649 -9.291 0.669 1.00 0.00 C ATOM 956 C CYS A 198 5.305 -8.622 -0.654 1.00 0.00 C ATOM 957 O CYS A 198 4.163 -8.661 -1.097 1.00 0.00 O ATOM 958 CB CYS A 198 5.742 -8.251 1.784 1.00 0.00 C ATOM 959 SG CYS A 198 6.340 -8.923 3.349 1.00 0.00 S ATOM 0 H CYS A 198 7.648 -9.659 1.166 1.00 0.00 H new ATOM 0 HA CYS A 198 4.856 -9.998 0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.406 -7.447 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.758 -7.809 1.940 1.00 0.00 H new ATOM 0 HG CYS A 198 5.333 -9.139 4.142 1.00 0.00 H new ATOM 965 N LYS A 199 6.315 -8.039 -1.290 1.00 0.00 N ATOM 966 CA LYS A 199 6.149 -7.390 -2.586 1.00 0.00 C ATOM 967 C LYS A 199 5.663 -8.391 -3.634 1.00 0.00 C ATOM 968 O LYS A 199 4.859 -8.058 -4.504 1.00 0.00 O ATOM 969 CB LYS A 199 7.474 -6.749 -3.010 1.00 0.00 C ATOM 970 CG LYS A 199 7.454 -6.113 -4.390 1.00 0.00 C ATOM 971 CD LYS A 199 8.625 -5.157 -4.571 1.00 0.00 C ATOM 972 CE LYS A 199 9.963 -5.861 -4.427 1.00 0.00 C ATOM 973 NZ LYS A 199 10.256 -6.738 -5.590 1.00 0.00 N ATOM 0 H LYS A 199 7.267 -8.003 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 199 5.392 -6.610 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.746 -5.989 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.255 -7.509 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.494 -6.891 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.517 -5.575 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 199 8.564 -4.692 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.556 -4.356 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 199 10.754 -5.119 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.963 -6.457 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.185 -7.187 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 9.524 -7.473 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 10.264 -6.169 -6.460 1.00 0.00 H new ATOM 987 N THR A 200 6.138 -9.624 -3.524 1.00 0.00 N ATOM 988 CA THR A 200 5.720 -10.697 -4.416 1.00 0.00 C ATOM 989 C THR A 200 4.250 -11.060 -4.176 1.00 0.00 C ATOM 990 O THR A 200 3.526 -11.437 -5.098 1.00 0.00 O ATOM 991 CB THR A 200 6.607 -11.946 -4.217 1.00 0.00 C ATOM 992 OG1 THR A 200 7.984 -11.608 -4.427 1.00 0.00 O ATOM 993 CG2 THR A 200 6.208 -13.064 -5.165 1.00 0.00 C ATOM 0 H THR A 200 6.819 -9.908 -2.819 1.00 0.00 H new ATOM 0 HA THR A 200 5.832 -10.344 -5.441 1.00 0.00 H new ATOM 0 HB THR A 200 6.466 -12.297 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.305 -11.064 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.851 -13.928 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.170 -13.343 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.316 -12.724 -6.195 1.00 0.00 H new ATOM 1001 N ILE A 201 3.815 -10.924 -2.937 1.00 0.00 N ATOM 1002 CA ILE A 201 2.426 -11.175 -2.584 1.00 0.00 C ATOM 1003 C ILE A 201 1.547 -10.006 -3.030 1.00 0.00 C ATOM 1004 O ILE A 201 0.448 -10.201 -3.549 1.00 0.00 O ATOM 1005 CB ILE A 201 2.268 -11.398 -1.066 1.00 0.00 C ATOM 1006 CG1 ILE A 201 3.146 -12.569 -0.615 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.808 -11.656 -0.709 1.00 0.00 C ATOM 1008 CD1 ILE A 201 3.151 -12.793 0.883 1.00 0.00 C ATOM 0 H ILE A 201 4.404 -10.640 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 201 2.109 -12.082 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 201 2.590 -10.496 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.802 -13.479 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 201 4.168 -12.393 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.718 -11.811 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 201 0.204 -10.798 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.457 -12.544 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.795 -13.639 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 201 3.525 -11.900 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 201 2.137 -13.002 1.223 1.00 0.00 H new ATOM 1020 N LEU A 202 2.054 -8.792 -2.841 1.00 0.00 N ATOM 1021 CA LEU A 202 1.343 -7.582 -3.245 1.00 0.00 C ATOM 1022 C LEU A 202 1.101 -7.575 -4.751 1.00 0.00 C ATOM 1023 O LEU A 202 0.012 -7.242 -5.217 1.00 0.00 O ATOM 1024 CB LEU A 202 2.146 -6.340 -2.842 1.00 0.00 C ATOM 1025 CG LEU A 202 2.497 -6.234 -1.354 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.373 -5.020 -1.095 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.237 -6.171 -0.507 1.00 0.00 C ATOM 0 H LEU A 202 2.961 -8.619 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 202 0.378 -7.566 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.072 -6.325 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.579 -5.454 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 202 3.055 -7.127 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.611 -4.963 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.295 -5.108 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.842 -4.117 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.510 -6.096 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.650 -5.298 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.647 -7.073 -0.666 1.00 0.00 H new ATOM 1039 N LYS A 203 2.118 -7.967 -5.511 1.00 0.00 N ATOM 1040 CA LYS A 203 2.014 -8.008 -6.962 1.00 0.00 C ATOM 1041 C LYS A 203 1.058 -9.116 -7.406 1.00 0.00 C ATOM 1042 O LYS A 203 0.466 -9.040 -8.482 1.00 0.00 O ATOM 1043 CB LYS A 203 3.394 -8.191 -7.606 1.00 0.00 C ATOM 1044 CG LYS A 203 4.023 -9.554 -7.375 1.00 0.00 C ATOM 1045 CD LYS A 203 5.400 -9.648 -8.003 1.00 0.00 C ATOM 1046 CE LYS A 203 5.334 -9.529 -9.515 1.00 0.00 C ATOM 1047 NZ LYS A 203 6.684 -9.528 -10.132 1.00 0.00 N ATOM 0 H LYS A 203 3.023 -8.261 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 203 1.609 -7.053 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.305 -8.024 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 203 4.066 -7.425 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.097 -9.744 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 203 3.379 -10.328 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.038 -8.860 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.860 -10.598 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.751 -10.357 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 203 4.812 -8.611 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.594 -9.445 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.232 -8.723 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.174 -10.415 -9.897 1.00 0.00 H new ATOM 1061 N ALA A 204 0.916 -10.145 -6.571 1.00 0.00 N ATOM 1062 CA ALA A 204 0.017 -11.256 -6.866 1.00 0.00 C ATOM 1063 C ALA A 204 -1.439 -10.801 -6.827 1.00 0.00 C ATOM 1064 O ALA A 204 -2.282 -11.318 -7.566 1.00 0.00 O ATOM 1065 CB ALA A 204 0.245 -12.401 -5.891 1.00 0.00 C ATOM 0 H ALA A 204 1.413 -10.231 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 204 0.235 -11.612 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.434 -13.220 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.275 -12.749 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.058 -12.056 -4.874 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.726 -9.830 -5.963 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.052 -9.225 -5.901 1.00 0.00 C ATOM 1073 C LEU A 205 -3.407 -8.587 -7.236 1.00 0.00 C ATOM 1074 O LEU A 205 -4.482 -8.817 -7.791 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.113 -8.146 -4.822 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.725 -8.533 -3.475 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -5.072 -9.207 -3.654 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.789 -9.408 -2.670 1.00 0.00 C ATOM 0 H LEU A 205 -1.057 -9.446 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.761 -10.018 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.098 -7.792 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.679 -7.303 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.882 -7.611 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.480 -9.469 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.755 -8.526 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.950 -10.111 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.257 -9.663 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.576 -10.321 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.859 -8.871 -2.484 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.485 -7.783 -7.741 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.702 -7.094 -8.991 1.00 0.00 C ATOM 1092 C GLY A 206 -2.951 -5.615 -8.784 1.00 0.00 C ATOM 1093 O GLY A 206 -3.301 -5.192 -7.682 1.00 0.00 O ATOM 0 H GLY A 206 -1.584 -7.596 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.834 -7.229 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.554 -7.537 -9.507 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.789 -4.803 -9.837 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.975 -3.347 -9.756 1.00 0.00 C ATOM 1099 C PRO A 207 -4.438 -2.958 -9.555 1.00 0.00 C ATOM 1100 O PRO A 207 -4.752 -1.808 -9.244 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.471 -2.849 -11.113 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.621 -4.014 -12.032 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.407 -5.241 -11.191 1.00 0.00 C ATOM 0 HA PRO A 207 -2.447 -2.916 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.052 -1.995 -11.461 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.432 -2.525 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.610 -4.024 -12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.894 -3.966 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.023 -6.073 -11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.370 -5.576 -11.227 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.329 -3.925 -9.733 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.758 -3.689 -9.588 1.00 0.00 C ATOM 1113 C ALA A 208 -7.212 -3.904 -8.147 1.00 0.00 C ATOM 1114 O ALA A 208 -8.326 -3.530 -7.778 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.535 -4.595 -10.527 1.00 0.00 C ATOM 0 H ALA A 208 -5.085 -4.884 -9.979 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.957 -2.650 -9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.603 -4.410 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.242 -4.390 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.319 -5.637 -10.289 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.341 -4.495 -7.339 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.658 -4.784 -5.948 1.00 0.00 C ATOM 1123 C ALA A 209 -6.521 -3.531 -5.093 1.00 0.00 C ATOM 1124 O ALA A 209 -5.994 -2.514 -5.549 1.00 0.00 O ATOM 1125 CB ALA A 209 -5.756 -5.890 -5.423 1.00 0.00 C ATOM 0 H ALA A 209 -5.406 -4.784 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.693 -5.122 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.003 -6.097 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -5.903 -6.792 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -4.715 -5.575 -5.493 1.00 0.00 H new ATOM 1131 N THR A 210 -6.995 -3.602 -3.858 1.00 0.00 N ATOM 1132 CA THR A 210 -6.975 -2.445 -2.978 1.00 0.00 C ATOM 1133 C THR A 210 -6.166 -2.718 -1.708 1.00 0.00 C ATOM 1134 O THR A 210 -5.625 -3.813 -1.528 1.00 0.00 O ATOM 1135 CB THR A 210 -8.408 -1.992 -2.611 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.371 -0.741 -1.909 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.111 -3.038 -1.757 1.00 0.00 C ATOM 0 H THR A 210 -7.396 -4.444 -3.445 1.00 0.00 H new ATOM 0 HA THR A 210 -6.488 -1.638 -3.525 1.00 0.00 H new ATOM 0 HB THR A 210 -8.967 -1.869 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 210 -7.742 -0.135 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.116 -2.693 -1.514 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.172 -3.976 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.548 -3.194 -0.837 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.101 -1.722 -0.834 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.275 -1.783 0.364 1.00 0.00 C ATOM 1147 C LEU A 211 -5.684 -2.949 1.260 1.00 0.00 C ATOM 1148 O LEU A 211 -4.832 -3.710 1.720 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.378 -0.465 1.135 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.475 -0.339 2.362 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.005 -0.321 1.962 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.833 0.915 3.137 1.00 0.00 C ATOM 0 H LEU A 211 -6.619 -0.849 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.241 -1.942 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.147 0.352 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.412 -0.332 1.453 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.634 -1.209 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.386 -0.231 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.758 -1.246 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.818 0.527 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.186 1.000 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.697 1.788 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.873 0.859 3.459 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.991 -3.096 1.478 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.520 -4.140 2.351 1.00 0.00 C ATOM 1166 C GLU A 212 -7.061 -5.527 1.901 1.00 0.00 C ATOM 1167 O GLU A 212 -6.787 -6.402 2.731 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.046 -4.082 2.364 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.670 -5.053 3.348 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.176 -5.131 3.220 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.670 -6.046 2.528 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.874 -4.282 3.811 1.00 0.00 O ATOM 0 H GLU A 212 -7.705 -2.501 1.059 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.137 -3.964 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.363 -3.069 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.420 -4.297 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.245 -6.045 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.411 -4.751 4.363 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.947 -5.717 0.591 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.581 -7.003 0.039 1.00 0.00 C ATOM 1182 C GLU A 213 -5.116 -7.294 0.324 1.00 0.00 C ATOM 1183 O GLU A 213 -4.741 -8.433 0.573 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.870 -7.033 -1.461 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.347 -6.858 -1.781 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.645 -6.901 -3.262 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.752 -8.013 -3.819 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.797 -5.821 -3.871 1.00 0.00 O ATOM 0 H GLU A 213 -7.105 -4.989 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.179 -7.781 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.301 -6.244 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.523 -7.980 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.916 -7.641 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.690 -5.906 -1.376 1.00 0.00 H new ATOM 1196 N MET A 214 -4.304 -6.241 0.314 1.00 0.00 N ATOM 1197 CA MET A 214 -2.883 -6.350 0.642 1.00 0.00 C ATOM 1198 C MET A 214 -2.706 -6.687 2.113 1.00 0.00 C ATOM 1199 O MET A 214 -1.966 -7.603 2.481 1.00 0.00 O ATOM 1200 CB MET A 214 -2.167 -5.027 0.358 1.00 0.00 C ATOM 1201 CG MET A 214 -2.394 -4.506 -1.042 1.00 0.00 C ATOM 1202 SD MET A 214 -1.689 -5.578 -2.292 1.00 0.00 S ATOM 1203 CE MET A 214 -2.777 -5.208 -3.651 1.00 0.00 C ATOM 0 H MET A 214 -4.607 -5.295 0.081 1.00 0.00 H new ATOM 0 HA MET A 214 -2.455 -7.141 0.026 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.506 -4.279 1.075 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.097 -5.161 0.518 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.464 -4.401 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.957 -3.511 -1.132 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.337 -5.574 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.739 -5.693 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 214 -2.921 -4.130 -3.718 1.00 0.00 H new ATOM 1213 N MET A 215 -3.407 -5.931 2.946 1.00 0.00 N ATOM 1214 CA MET A 215 -3.300 -6.058 4.391 1.00 0.00 C ATOM 1215 C MET A 215 -3.703 -7.453 4.843 1.00 0.00 C ATOM 1216 O MET A 215 -3.057 -8.040 5.705 1.00 0.00 O ATOM 1217 CB MET A 215 -4.169 -5.001 5.079 1.00 0.00 C ATOM 1218 CG MET A 215 -3.836 -3.577 4.652 1.00 0.00 C ATOM 1219 SD MET A 215 -4.847 -2.335 5.476 1.00 0.00 S ATOM 1220 CE MET A 215 -4.221 -2.458 7.147 1.00 0.00 C ATOM 0 H MET A 215 -4.064 -5.214 2.639 1.00 0.00 H new ATOM 0 HA MET A 215 -2.260 -5.897 4.675 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.217 -5.203 4.859 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.047 -5.087 6.159 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.785 -3.378 4.861 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.969 -3.487 3.574 1.00 0.00 H new ATOM 0 HE1 MET A 215 -5.056 -2.542 7.843 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.586 -3.340 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.639 -1.567 7.384 1.00 0.00 H new ATOM 1230 N THR A 216 -4.759 -7.981 4.242 1.00 0.00 N ATOM 1231 CA THR A 216 -5.238 -9.317 4.570 1.00 0.00 C ATOM 1232 C THR A 216 -4.348 -10.387 3.926 1.00 0.00 C ATOM 1233 O THR A 216 -4.156 -11.468 4.489 1.00 0.00 O ATOM 1234 CB THR A 216 -6.697 -9.507 4.101 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.495 -8.394 4.535 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.289 -10.799 4.648 1.00 0.00 C ATOM 0 H THR A 216 -5.302 -7.504 3.523 1.00 0.00 H new ATOM 0 HA THR A 216 -5.197 -9.427 5.654 1.00 0.00 H new ATOM 0 HB THR A 216 -6.698 -9.563 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.332 -7.626 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.317 -10.904 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.699 -11.646 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.276 -10.773 5.738 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.781 -10.066 2.761 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.912 -10.992 2.030 1.00 0.00 C ATOM 1246 C ALA A 217 -1.678 -11.351 2.851 1.00 0.00 C ATOM 1247 O ALA A 217 -1.233 -12.500 2.858 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.494 -10.388 0.690 1.00 0.00 C ATOM 0 H ALA A 217 -3.909 -9.165 2.301 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.477 -11.906 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.849 -11.089 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.381 -10.186 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.954 -9.457 0.863 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.144 -10.362 3.555 1.00 0.00 N ATOM 1255 CA CYS A 218 0.049 -10.553 4.372 1.00 0.00 C ATOM 1256 C CYS A 218 -0.297 -11.211 5.712 1.00 0.00 C ATOM 1257 O CYS A 218 0.591 -11.567 6.486 1.00 0.00 O ATOM 1258 CB CYS A 218 0.742 -9.204 4.600 1.00 0.00 C ATOM 1259 SG CYS A 218 2.265 -9.293 5.572 1.00 0.00 S ATOM 0 H CYS A 218 -1.520 -9.414 3.577 1.00 0.00 H new ATOM 0 HA CYS A 218 0.728 -11.220 3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.971 -8.760 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.045 -8.533 5.102 1.00 0.00 H new ATOM 0 HG CYS A 218 2.212 -10.318 6.369 1.00 0.00 H new ATOM 1472 N THR B 2 -2.326 3.982 -2.580 1.00 0.00 N ATOM 1473 CA THR B 2 -1.988 5.393 -2.669 1.00 0.00 C ATOM 1474 C THR B 2 -2.317 6.042 -1.325 1.00 0.00 C ATOM 1475 O THR B 2 -3.015 5.423 -0.512 1.00 0.00 O ATOM 1476 CB THR B 2 -2.726 6.122 -3.822 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.879 6.806 -3.321 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.174 5.156 -4.907 1.00 0.00 C ATOM 0 HA THR B 2 -0.925 5.480 -2.896 1.00 0.00 H new ATOM 0 HB THR B 2 -2.019 6.832 -4.252 1.00 0.00 H new ATOM 0 HG1 THR B 2 -4.690 6.352 -3.633 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.687 5.707 -5.696 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.304 4.649 -5.325 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.853 4.418 -4.480 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.819 7.242 -1.061 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.069 7.884 0.229 1.00 0.00 C ATOM 1488 C PHE B 3 -3.549 8.220 0.384 1.00 0.00 C ATOM 1489 O PHE B 3 -4.104 8.107 1.481 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.218 9.147 0.391 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.404 9.830 1.720 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.220 9.132 2.901 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.761 11.170 1.787 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.384 9.752 4.123 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.924 11.796 3.009 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.735 11.084 4.178 1.00 0.00 C ATOM 0 H PHE B 3 -1.248 7.786 -1.708 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.786 7.181 1.012 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.167 8.885 0.270 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.466 9.847 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.944 8.088 2.866 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.913 11.729 0.875 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.237 9.194 5.036 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.199 12.840 3.050 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.862 11.570 5.134 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.135 6.583 -0.752 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.788 5.337 -0.347 1.00 0.00 C ATOM 1528 C ASP B 5 -6.534 5.033 1.119 1.00 0.00 C ATOM 1529 O ASP B 5 -7.422 4.552 1.824 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.283 4.171 -1.196 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.594 4.339 -2.666 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -7.514 3.666 -3.166 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -5.909 5.142 -3.331 1.00 0.00 O ATOM 0 HA ASP B 5 -7.860 5.464 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.205 4.073 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -6.733 3.245 -0.838 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.318 5.312 1.568 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.956 5.119 2.964 1.00 0.00 C ATOM 1541 C LEU B 6 -5.885 5.918 3.860 1.00 0.00 C ATOM 1542 O LEU B 6 -6.399 5.412 4.861 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.509 5.549 3.208 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.564 4.429 3.623 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.139 3.702 4.818 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.320 3.470 2.466 1.00 0.00 C ATOM 0 H LEU B 6 -4.564 5.674 0.984 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.052 4.059 3.200 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.125 6.009 2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.500 6.317 3.982 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.601 4.859 3.900 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.463 2.900 5.116 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.260 4.401 5.646 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.109 3.280 4.555 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.642 2.679 2.786 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.267 3.031 2.151 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.876 4.012 1.631 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.103 7.164 3.477 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.993 8.047 4.205 1.00 0.00 C ATOM 1560 C LEU B 7 -8.408 7.482 4.275 1.00 0.00 C ATOM 1561 O LEU B 7 -8.996 7.421 5.356 1.00 0.00 O ATOM 1562 CB LEU B 7 -7.031 9.432 3.554 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.785 10.302 3.771 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.947 11.652 3.090 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.531 10.503 5.256 1.00 0.00 C ATOM 0 H LEU B 7 -5.670 7.589 2.657 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.603 8.133 5.219 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.182 9.306 2.482 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.899 9.970 3.936 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.931 9.787 3.330 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.053 12.253 3.256 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.091 11.505 2.020 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.813 12.167 3.505 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.644 11.122 5.393 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.391 10.996 5.709 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.375 9.535 5.733 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.453 4.498 3.971 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.493 3.271 4.757 1.00 0.00 C ATOM 1599 C TYR B 9 -9.591 3.566 6.254 1.00 0.00 C ATOM 1600 O TYR B 9 -10.473 3.049 6.941 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.263 2.401 4.476 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.199 1.156 5.338 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.057 0.085 5.116 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.288 1.059 6.381 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.013 -1.046 5.914 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.232 -0.067 7.182 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.098 -1.119 6.948 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.054 -2.245 7.747 1.00 0.00 O ATOM 0 HA TYR B 9 -10.388 2.725 4.457 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.266 2.108 3.426 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.363 2.994 4.639 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.771 0.136 4.307 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.610 1.878 6.570 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.690 -1.867 5.730 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.515 -0.124 7.987 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.355 -2.137 8.426 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.674 4.378 6.757 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.638 4.700 8.180 1.00 0.00 C ATOM 1620 C TYR B 10 -9.782 5.619 8.594 1.00 0.00 C ATOM 1621 O TYR B 10 -10.338 5.479 9.683 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.300 5.340 8.556 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.184 4.343 8.752 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.419 3.899 7.682 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.898 3.845 10.015 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.401 2.987 7.866 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.881 2.934 10.209 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.137 2.507 9.131 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.128 1.592 9.320 1.00 0.00 O ATOM 0 H TYR B 10 -7.944 4.827 6.204 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.755 3.759 8.718 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.013 6.045 7.776 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.427 5.914 9.474 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.624 4.274 6.690 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.482 4.177 10.861 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -3.814 2.651 7.024 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.669 2.558 11.199 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.073 1.357 10.270 1.00 0.00 H new