USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 532 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 202 MET CE :methyl -153:sc= 0 (180deg=-0.395) USER MOD Set 1.2: A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 93:sc= -0.241 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 HIS : no HD1:sc=-0.00855 X(o=-0.0086,f=0) USER MOD Single : A 168 SER OG : rot 19:sc= 0.173 USER MOD Single : A 172 TYR OH : rot 90:sc= 0.369 USER MOD Single : A 174 THR OG1 : rot -82:sc= -0.109 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 177 ASN : amide:sc= -2.54! C(o=-2.5!,f=-9.7!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -171:sc= -0.0108 (180deg=-0.11) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 183 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 192 LYS NZ :NH3+ 135:sc= -0.0324 (180deg=-1.2) USER MOD Single : A 193 ASN : amide:sc= -3.78! C(o=-3.8!,f=-7.9!) USER MOD Single : A 195 LYS NZ :NH3+ 164:sc= -0.0371 (180deg=-0.272) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 MET CE :methyl 136:sc= -4.2! (180deg=-5.89!) USER MOD Single : A 208 LYS NZ :NH3+ -109:sc= 0.6 (180deg=-0.919!) USER MOD Single : A 213 SER OG : rot 77:sc= 1.19 USER MOD Single : A 214 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 215 ASN :FLIP amide:sc= -0.0708 F(o=-0.7,f=-0.071) USER MOD Single : A 216 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 145 N SER A 150 7.242 -8.152 0.831 1.00 0.00 N ATOM 146 CA SER A 150 6.054 -7.492 1.296 1.00 0.00 C ATOM 147 C SER A 150 6.195 -5.984 1.024 1.00 0.00 C ATOM 148 O SER A 150 7.302 -5.508 0.783 1.00 0.00 O ATOM 149 CB SER A 150 5.863 -7.784 2.793 1.00 0.00 C ATOM 150 OG SER A 150 4.611 -7.316 3.262 1.00 0.00 O ATOM 0 HA SER A 150 5.172 -7.859 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 150 5.939 -8.857 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.664 -7.312 3.361 1.00 0.00 H new ATOM 0 HG SER A 150 4.522 -7.520 4.216 1.00 0.00 H new ATOM 156 N SER A 151 5.102 -5.257 1.084 1.00 0.00 N ATOM 157 CA SER A 151 5.070 -3.837 0.771 1.00 0.00 C ATOM 158 C SER A 151 6.062 -3.036 1.629 1.00 0.00 C ATOM 159 O SER A 151 6.835 -2.223 1.112 1.00 0.00 O ATOM 160 CB SER A 151 3.660 -3.365 0.996 1.00 0.00 C ATOM 161 OG SER A 151 2.768 -4.309 0.427 1.00 0.00 O ATOM 0 H SER A 151 4.195 -5.636 1.355 1.00 0.00 H new ATOM 0 HA SER A 151 5.373 -3.679 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 151 3.464 -3.255 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 151 3.513 -2.385 0.542 1.00 0.00 H new ATOM 0 HG SER A 151 2.500 -4.959 1.110 1.00 0.00 H new ATOM 167 N ALA A 152 6.053 -3.298 2.925 1.00 0.00 N ATOM 168 CA ALA A 152 6.969 -2.650 3.848 1.00 0.00 C ATOM 169 C ALA A 152 8.397 -3.113 3.568 1.00 0.00 C ATOM 170 O ALA A 152 9.337 -2.319 3.535 1.00 0.00 O ATOM 171 CB ALA A 152 6.580 -2.995 5.276 1.00 0.00 C ATOM 0 H ALA A 152 5.415 -3.961 3.365 1.00 0.00 H new ATOM 0 HA ALA A 152 6.915 -1.570 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 152 7.268 -2.509 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 152 5.565 -2.649 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 152 6.628 -4.075 5.415 1.00 0.00 H new ATOM 177 N GLN A 153 8.516 -4.395 3.280 1.00 0.00 N ATOM 178 CA GLN A 153 9.788 -5.053 3.058 1.00 0.00 C ATOM 179 C GLN A 153 10.471 -4.530 1.784 1.00 0.00 C ATOM 180 O GLN A 153 11.694 -4.476 1.716 1.00 0.00 O ATOM 181 CB GLN A 153 9.566 -6.559 2.995 1.00 0.00 C ATOM 182 CG GLN A 153 10.827 -7.390 2.924 1.00 0.00 C ATOM 183 CD GLN A 153 10.528 -8.860 2.919 1.00 0.00 C ATOM 184 OE1 GLN A 153 9.482 -9.294 2.415 1.00 0.00 O ATOM 185 NE2 GLN A 153 11.407 -9.635 3.488 1.00 0.00 N ATOM 0 H GLN A 153 7.715 -5.020 3.192 1.00 0.00 H new ATOM 0 HA GLN A 153 10.458 -4.828 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 153 8.997 -6.864 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.951 -6.784 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 153 11.383 -7.130 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 153 11.467 -7.152 3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 153 12.255 -9.235 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 153 11.247 -10.642 3.531 1.00 0.00 H new ATOM 194 N LEU A 154 9.674 -4.144 0.796 1.00 0.00 N ATOM 195 CA LEU A 154 10.190 -3.547 -0.439 1.00 0.00 C ATOM 196 C LEU A 154 10.873 -2.237 -0.137 1.00 0.00 C ATOM 197 O LEU A 154 12.003 -2.015 -0.529 1.00 0.00 O ATOM 198 CB LEU A 154 9.067 -3.305 -1.458 1.00 0.00 C ATOM 199 CG LEU A 154 8.463 -4.534 -2.137 1.00 0.00 C ATOM 200 CD1 LEU A 154 7.257 -4.126 -2.963 1.00 0.00 C ATOM 201 CD2 LEU A 154 9.496 -5.196 -3.039 1.00 0.00 C ATOM 0 H LEU A 154 8.658 -4.233 0.823 1.00 0.00 H new ATOM 0 HA LEU A 154 10.905 -4.249 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 154 8.263 -2.768 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 154 9.452 -2.645 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 154 8.153 -5.242 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 154 6.831 -5.006 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 154 6.509 -3.670 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 154 7.563 -3.409 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 154 9.054 -6.070 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 154 9.819 -4.489 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 154 10.355 -5.504 -2.443 1.00 0.00 H new ATOM 213 N LEU A 155 10.197 -1.401 0.617 1.00 0.00 N ATOM 214 CA LEU A 155 10.716 -0.093 0.955 1.00 0.00 C ATOM 215 C LEU A 155 11.925 -0.247 1.890 1.00 0.00 C ATOM 216 O LEU A 155 12.904 0.511 1.820 1.00 0.00 O ATOM 217 CB LEU A 155 9.595 0.747 1.581 1.00 0.00 C ATOM 218 CG LEU A 155 9.871 2.219 1.824 1.00 0.00 C ATOM 219 CD1 LEU A 155 10.189 2.933 0.519 1.00 0.00 C ATOM 220 CD2 LEU A 155 8.664 2.843 2.461 1.00 0.00 C ATOM 0 H LEU A 155 9.279 -1.605 1.011 1.00 0.00 H new ATOM 0 HA LEU A 155 11.061 0.428 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 155 8.719 0.672 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 155 9.329 0.293 2.536 1.00 0.00 H new ATOM 0 HG LEU A 155 10.734 2.313 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 155 10.383 3.987 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 155 11.070 2.482 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 155 9.342 2.843 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 155 8.853 3.902 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 155 7.806 2.735 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 155 8.455 2.347 3.409 1.00 0.00 H new ATOM 232 N GLU A 156 11.868 -1.271 2.720 1.00 0.00 N ATOM 233 CA GLU A 156 12.943 -1.620 3.630 1.00 0.00 C ATOM 234 C GLU A 156 14.178 -2.096 2.847 1.00 0.00 C ATOM 235 O GLU A 156 15.315 -1.843 3.254 1.00 0.00 O ATOM 236 CB GLU A 156 12.480 -2.741 4.546 1.00 0.00 C ATOM 237 CG GLU A 156 13.497 -3.165 5.591 1.00 0.00 C ATOM 238 CD GLU A 156 13.139 -4.464 6.246 1.00 0.00 C ATOM 239 OE1 GLU A 156 13.422 -5.524 5.658 1.00 0.00 O ATOM 240 OE2 GLU A 156 12.607 -4.466 7.368 1.00 0.00 O1- ATOM 0 H GLU A 156 11.062 -1.893 2.782 1.00 0.00 H new ATOM 0 HA GLU A 156 13.208 -0.738 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.568 -2.425 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.222 -3.607 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.477 -3.256 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.577 -2.388 6.351 1.00 0.00 H new ATOM 247 N ASP A 157 13.938 -2.721 1.695 1.00 0.00 N ATOM 248 CA ASP A 157 14.989 -3.320 0.855 1.00 0.00 C ATOM 249 C ASP A 157 15.926 -2.265 0.356 1.00 0.00 C ATOM 250 O ASP A 157 17.105 -2.510 0.128 1.00 0.00 O ATOM 251 CB ASP A 157 14.364 -4.059 -0.346 1.00 0.00 C ATOM 252 CG ASP A 157 15.385 -4.665 -1.298 1.00 0.00 C ATOM 253 OD1 ASP A 157 15.782 -5.823 -1.094 1.00 0.00 O1- ATOM 254 OD2 ASP A 157 15.783 -4.015 -2.278 1.00 0.00 O ATOM 0 H ASP A 157 13.000 -2.830 1.309 1.00 0.00 H new ATOM 0 HA ASP A 157 15.544 -4.033 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 157 13.714 -4.851 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 157 13.734 -3.363 -0.900 1.00 0.00 H new ATOM 259 N TRP A 158 15.418 -1.076 0.235 1.00 0.00 N ATOM 260 CA TRP A 158 16.201 0.008 -0.297 1.00 0.00 C ATOM 261 C TRP A 158 16.842 0.807 0.822 1.00 0.00 C ATOM 262 O TRP A 158 17.702 1.653 0.584 1.00 0.00 O ATOM 263 CB TRP A 158 15.339 0.895 -1.191 1.00 0.00 C ATOM 264 CG TRP A 158 14.578 0.095 -2.202 1.00 0.00 C ATOM 265 CD1 TRP A 158 15.071 -0.885 -3.002 1.00 0.00 C ATOM 266 CD2 TRP A 158 13.198 0.201 -2.513 1.00 0.00 C ATOM 267 NE1 TRP A 158 14.081 -1.407 -3.780 1.00 0.00 N ATOM 268 CE2 TRP A 158 12.919 -0.756 -3.506 1.00 0.00 C ATOM 269 CE3 TRP A 158 12.172 1.007 -2.050 1.00 0.00 C ATOM 270 CZ2 TRP A 158 11.651 -0.927 -4.036 1.00 0.00 C ATOM 271 CZ3 TRP A 158 10.916 0.840 -2.577 1.00 0.00 C ATOM 272 CH2 TRP A 158 10.665 -0.121 -3.561 1.00 0.00 C ATOM 0 H TRP A 158 14.464 -0.827 0.497 1.00 0.00 H new ATOM 0 HA TRP A 158 17.004 -0.407 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 158 14.640 1.461 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 158 15.972 1.619 -1.703 1.00 0.00 H new ATOM 0 HD1 TRP A 158 16.102 -1.206 -3.019 1.00 0.00 H new ATOM 0 HE1 TRP A 158 14.193 -2.162 -4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 158 12.356 1.752 -1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 158 11.454 -1.670 -4.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 158 10.106 1.462 -2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 158 9.664 -0.225 -3.953 1.00 0.00 H new ATOM 283 N GLY A 159 16.476 0.486 2.042 1.00 0.00 N ATOM 284 CA GLY A 159 16.988 1.203 3.185 1.00 0.00 C ATOM 285 C GLY A 159 16.177 2.442 3.455 1.00 0.00 C ATOM 286 O GLY A 159 16.723 3.509 3.692 1.00 0.00 O ATOM 0 H GLY A 159 15.826 -0.267 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 159 16.971 0.556 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 159 18.029 1.477 3.010 1.00 0.00 H new ATOM 290 N MET A 160 14.874 2.304 3.382 1.00 0.00 N ATOM 291 CA MET A 160 13.967 3.409 3.609 1.00 0.00 C ATOM 292 C MET A 160 13.024 3.051 4.744 1.00 0.00 C ATOM 293 O MET A 160 13.105 1.934 5.282 1.00 0.00 O ATOM 294 CB MET A 160 13.182 3.718 2.337 1.00 0.00 C ATOM 295 CG MET A 160 14.033 4.152 1.160 1.00 0.00 C ATOM 296 SD MET A 160 14.932 5.683 1.465 1.00 0.00 S ATOM 297 CE MET A 160 15.825 5.851 -0.077 1.00 0.00 C ATOM 0 H MET A 160 14.410 1.422 3.163 1.00 0.00 H new ATOM 0 HA MET A 160 14.535 4.299 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 160 12.615 2.832 2.051 1.00 0.00 H new ATOM 0 HB3 MET A 160 12.458 4.503 2.554 1.00 0.00 H new ATOM 0 HG2 MET A 160 14.744 3.361 0.922 1.00 0.00 H new ATOM 0 HG3 MET A 160 13.395 4.280 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 160 16.433 6.755 -0.049 1.00 0.00 H new ATOM 0 HE2 MET A 160 16.470 4.984 -0.220 1.00 0.00 H new ATOM 0 HE3 MET A 160 15.116 5.916 -0.903 1.00 0.00 H new ATOM 307 N GLU A 161 12.129 3.953 5.096 1.00 0.00 N ATOM 308 CA GLU A 161 11.247 3.733 6.218 1.00 0.00 C ATOM 309 C GLU A 161 9.779 3.838 5.789 1.00 0.00 C ATOM 310 O GLU A 161 9.371 4.810 5.132 1.00 0.00 O ATOM 311 CB GLU A 161 11.558 4.739 7.318 1.00 0.00 C ATOM 312 CG GLU A 161 10.798 4.495 8.596 1.00 0.00 C ATOM 313 CD GLU A 161 11.060 5.546 9.623 1.00 0.00 C ATOM 314 OE1 GLU A 161 10.397 6.578 9.593 1.00 0.00 O1- ATOM 315 OE2 GLU A 161 11.930 5.362 10.492 1.00 0.00 O ATOM 0 H GLU A 161 11.996 4.845 4.619 1.00 0.00 H new ATOM 0 HA GLU A 161 11.410 2.725 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 161 12.627 4.712 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 161 11.330 5.742 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 161 9.730 4.460 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 161 11.073 3.520 8.999 1.00 0.00 H new ATOM 322 N ASP A 162 8.999 2.861 6.175 1.00 0.00 N ATOM 323 CA ASP A 162 7.583 2.782 5.812 1.00 0.00 C ATOM 324 C ASP A 162 6.724 3.382 6.943 1.00 0.00 C ATOM 325 O ASP A 162 7.270 3.873 7.949 1.00 0.00 O ATOM 326 CB ASP A 162 7.218 1.298 5.531 1.00 0.00 C ATOM 327 CG ASP A 162 5.807 1.079 5.017 1.00 0.00 C ATOM 328 OD1 ASP A 162 5.230 1.975 4.388 1.00 0.00 O1- ATOM 329 OD2 ASP A 162 5.233 0.016 5.264 1.00 0.00 O ATOM 0 H ASP A 162 9.319 2.085 6.755 1.00 0.00 H new ATOM 0 HA ASP A 162 7.385 3.359 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 162 7.922 0.896 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 162 7.349 0.726 6.449 1.00 0.00 H new ATOM 334 N ILE A 163 5.423 3.395 6.782 1.00 0.00 N ATOM 335 CA ILE A 163 4.536 3.932 7.794 1.00 0.00 C ATOM 336 C ILE A 163 3.924 2.759 8.560 1.00 0.00 C ATOM 337 O ILE A 163 3.776 1.666 8.020 1.00 0.00 O ATOM 338 CB ILE A 163 3.346 4.814 7.221 1.00 0.00 C ATOM 339 CG1 ILE A 163 3.753 5.676 6.029 1.00 0.00 C ATOM 340 CG2 ILE A 163 2.809 5.744 8.303 1.00 0.00 C ATOM 341 CD1 ILE A 163 3.767 4.958 4.702 1.00 0.00 C ATOM 0 H ILE A 163 4.948 3.037 5.953 1.00 0.00 H new ATOM 0 HA ILE A 163 5.140 4.587 8.422 1.00 0.00 H new ATOM 0 HB ILE A 163 2.587 4.105 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 163 3.069 6.522 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 163 4.747 6.083 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 163 1.994 6.343 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 163 2.442 5.153 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 163 3.607 6.403 8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 163 4.068 5.651 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 163 4.473 4.129 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 163 2.770 4.575 4.485 1.00 0.00 H new ATOM 353 N ASP A 164 3.599 2.988 9.803 1.00 0.00 N ATOM 354 CA ASP A 164 2.945 1.988 10.654 1.00 0.00 C ATOM 355 C ASP A 164 1.440 1.948 10.363 1.00 0.00 C ATOM 356 O ASP A 164 0.752 0.970 10.674 1.00 0.00 O ATOM 357 CB ASP A 164 3.206 2.338 12.120 1.00 0.00 C ATOM 358 CG ASP A 164 2.469 1.462 13.108 1.00 0.00 C ATOM 359 OD1 ASP A 164 2.855 0.305 13.297 1.00 0.00 O1- ATOM 360 OD2 ASP A 164 1.495 1.962 13.745 1.00 0.00 O ATOM 0 H ASP A 164 3.775 3.876 10.273 1.00 0.00 H new ATOM 0 HA ASP A 164 3.353 0.999 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.276 2.265 12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 164 2.922 3.376 12.290 1.00 0.00 H new ATOM 365 N HIS A 165 0.972 3.018 9.719 1.00 0.00 N ATOM 366 CA HIS A 165 -0.433 3.234 9.333 1.00 0.00 C ATOM 367 C HIS A 165 -1.061 1.986 8.730 1.00 0.00 C ATOM 368 O HIS A 165 -0.547 1.417 7.762 1.00 0.00 O ATOM 369 CB HIS A 165 -0.515 4.415 8.329 1.00 0.00 C ATOM 370 CG HIS A 165 -1.879 4.678 7.724 1.00 0.00 C ATOM 371 ND1 HIS A 165 -2.781 5.582 8.219 1.00 0.00 N ATOM 372 CD2 HIS A 165 -2.466 4.141 6.618 1.00 0.00 C ATOM 373 CE1 HIS A 165 -3.855 5.569 7.424 1.00 0.00 C ATOM 374 NE2 HIS A 165 -3.711 4.710 6.439 1.00 0.00 N ATOM 0 H HIS A 165 1.579 3.789 9.439 1.00 0.00 H new ATOM 0 HA HIS A 165 -0.997 3.472 10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -0.184 5.321 8.836 1.00 0.00 H new ATOM 0 HB3 HIS A 165 0.190 4.227 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -2.026 3.388 5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 165 -4.730 6.185 7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -4.380 4.506 5.697 1.00 0.00 H new ATOM 382 N VAL A 166 -2.148 1.578 9.299 1.00 0.00 N ATOM 383 CA VAL A 166 -2.865 0.452 8.813 1.00 0.00 C ATOM 384 C VAL A 166 -4.157 0.928 8.189 1.00 0.00 C ATOM 385 O VAL A 166 -4.871 1.765 8.770 1.00 0.00 O ATOM 386 CB VAL A 166 -3.112 -0.634 9.926 1.00 0.00 C ATOM 387 CG1 VAL A 166 -3.905 -0.085 11.107 1.00 0.00 C ATOM 388 CG2 VAL A 166 -3.787 -1.878 9.348 1.00 0.00 C ATOM 0 H VAL A 166 -2.563 2.021 10.118 1.00 0.00 H new ATOM 0 HA VAL A 166 -2.261 -0.046 8.055 1.00 0.00 H new ATOM 0 HB VAL A 166 -2.131 -0.922 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -4.049 -0.873 11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -3.358 0.742 11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -4.876 0.269 10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -3.944 -2.609 10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -4.748 -1.602 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -3.151 -2.311 8.576 1.00 0.00 H new ATOM 398 N PHE A 167 -4.412 0.454 6.983 1.00 0.00 N ATOM 399 CA PHE A 167 -5.618 0.782 6.260 1.00 0.00 C ATOM 400 C PHE A 167 -6.799 0.377 7.088 1.00 0.00 C ATOM 401 O PHE A 167 -7.024 -0.811 7.345 1.00 0.00 O ATOM 402 CB PHE A 167 -5.661 0.079 4.906 1.00 0.00 C ATOM 403 CG PHE A 167 -4.494 0.397 4.027 1.00 0.00 C ATOM 404 CD1 PHE A 167 -4.330 1.669 3.513 1.00 0.00 C ATOM 405 CD2 PHE A 167 -3.561 -0.578 3.714 1.00 0.00 C ATOM 406 CE1 PHE A 167 -3.259 1.964 2.705 1.00 0.00 C ATOM 407 CE2 PHE A 167 -2.487 -0.289 2.905 1.00 0.00 C ATOM 408 CZ PHE A 167 -2.334 0.985 2.400 1.00 0.00 C ATOM 0 H PHE A 167 -3.783 -0.171 6.479 1.00 0.00 H new ATOM 0 HA PHE A 167 -5.639 1.856 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 167 -5.701 -0.998 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 167 -6.580 0.358 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 167 -5.050 2.438 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 167 -3.678 -1.576 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -3.140 2.961 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 167 -1.766 -1.057 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 167 -1.491 1.217 1.766 1.00 0.00 H new ATOM 418 N SER A 168 -7.505 1.345 7.537 1.00 0.00 N ATOM 419 CA SER A 168 -8.603 1.134 8.415 1.00 0.00 C ATOM 420 C SER A 168 -9.884 1.028 7.593 1.00 0.00 C ATOM 421 O SER A 168 -9.841 1.155 6.361 1.00 0.00 O ATOM 422 CB SER A 168 -8.648 2.294 9.400 1.00 0.00 C ATOM 423 OG SER A 168 -7.357 2.478 10.002 1.00 0.00 O ATOM 0 H SER A 168 -7.338 2.324 7.304 1.00 0.00 H new ATOM 0 HA SER A 168 -8.496 0.206 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 168 -8.952 3.206 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.393 2.098 10.171 1.00 0.00 H new ATOM 0 HG SER A 168 -6.674 2.044 9.450 1.00 0.00 H new ATOM 429 N GLU A 169 -11.012 0.817 8.238 1.00 0.00 N ATOM 430 CA GLU A 169 -12.256 0.656 7.518 1.00 0.00 C ATOM 431 C GLU A 169 -12.682 1.952 6.850 1.00 0.00 C ATOM 432 O GLU A 169 -13.310 1.935 5.795 1.00 0.00 O ATOM 433 CB GLU A 169 -13.343 0.041 8.394 1.00 0.00 C ATOM 434 CG GLU A 169 -13.018 -1.391 8.803 1.00 0.00 C ATOM 435 CD GLU A 169 -14.105 -2.039 9.612 1.00 0.00 C ATOM 436 OE1 GLU A 169 -15.206 -2.275 9.073 1.00 0.00 O1- ATOM 437 OE2 GLU A 169 -13.893 -2.327 10.807 1.00 0.00 O ATOM 0 H GLU A 169 -11.093 0.753 9.253 1.00 0.00 H new ATOM 0 HA GLU A 169 -12.087 -0.059 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -13.474 0.651 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -14.291 0.056 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -12.838 -1.985 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -12.093 -1.396 9.380 1.00 0.00 H new ATOM 444 N GLU A 170 -12.274 3.074 7.431 1.00 0.00 N ATOM 445 CA GLU A 170 -12.502 4.380 6.818 1.00 0.00 C ATOM 446 C GLU A 170 -11.767 4.480 5.488 1.00 0.00 C ATOM 447 O GLU A 170 -12.270 5.062 4.532 1.00 0.00 O ATOM 448 CB GLU A 170 -12.059 5.516 7.742 1.00 0.00 C ATOM 449 CG GLU A 170 -12.922 5.679 8.971 1.00 0.00 C ATOM 450 CD GLU A 170 -14.354 5.977 8.614 1.00 0.00 C ATOM 451 OE1 GLU A 170 -15.140 5.037 8.443 1.00 0.00 O1- ATOM 452 OE2 GLU A 170 -14.716 7.172 8.499 1.00 0.00 O ATOM 0 H GLU A 170 -11.784 3.107 8.325 1.00 0.00 H new ATOM 0 HA GLU A 170 -13.574 4.479 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -11.030 5.337 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -12.064 6.450 7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -12.878 4.769 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -12.526 6.485 9.589 1.00 0.00 H new ATOM 459 N ASP A 171 -10.600 3.860 5.416 1.00 0.00 N ATOM 460 CA ASP A 171 -9.785 3.892 4.203 1.00 0.00 C ATOM 461 C ASP A 171 -10.391 3.009 3.158 1.00 0.00 C ATOM 462 O ASP A 171 -10.343 3.311 1.983 1.00 0.00 O ATOM 463 CB ASP A 171 -8.332 3.472 4.462 1.00 0.00 C ATOM 464 CG ASP A 171 -7.657 4.350 5.468 1.00 0.00 C ATOM 465 OD1 ASP A 171 -7.472 5.563 5.196 1.00 0.00 O1- ATOM 466 OD2 ASP A 171 -7.381 3.866 6.589 1.00 0.00 O ATOM 0 H ASP A 171 -10.191 3.326 6.183 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.767 4.924 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.312 2.440 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -7.775 3.502 3.525 1.00 0.00 H new ATOM 471 N TYR A 172 -11.026 1.940 3.600 1.00 0.00 N ATOM 472 CA TYR A 172 -11.677 1.011 2.694 1.00 0.00 C ATOM 473 C TYR A 172 -12.882 1.682 2.056 1.00 0.00 C ATOM 474 O TYR A 172 -13.275 1.366 0.932 1.00 0.00 O ATOM 475 CB TYR A 172 -12.091 -0.282 3.413 1.00 0.00 C ATOM 476 CG TYR A 172 -10.937 -1.064 4.034 1.00 0.00 C ATOM 477 CD1 TYR A 172 -9.669 -1.061 3.462 1.00 0.00 C ATOM 478 CD2 TYR A 172 -11.119 -1.800 5.195 1.00 0.00 C ATOM 479 CE1 TYR A 172 -8.629 -1.762 4.018 1.00 0.00 C ATOM 480 CE2 TYR A 172 -10.077 -2.506 5.761 1.00 0.00 C ATOM 481 CZ TYR A 172 -8.834 -2.482 5.165 1.00 0.00 C ATOM 482 OH TYR A 172 -7.792 -3.177 5.721 1.00 0.00 O ATOM 0 H TYR A 172 -11.105 1.692 4.586 1.00 0.00 H new ATOM 0 HA TYR A 172 -10.966 0.733 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -12.806 -0.033 4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -12.608 -0.927 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -9.499 -0.493 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -12.092 -1.821 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -7.654 -1.746 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -10.234 -3.074 6.666 1.00 0.00 H new ATOM 0 HH TYR A 172 -7.314 -2.600 6.353 1.00 0.00 H new ATOM 492 N ARG A 173 -13.462 2.600 2.790 1.00 0.00 N ATOM 493 CA ARG A 173 -14.591 3.366 2.322 1.00 0.00 C ATOM 494 C ARG A 173 -14.146 4.462 1.355 1.00 0.00 C ATOM 495 O ARG A 173 -14.712 4.613 0.279 1.00 0.00 O ATOM 496 CB ARG A 173 -15.335 3.994 3.504 1.00 0.00 C ATOM 497 CG ARG A 173 -15.938 2.993 4.467 1.00 0.00 C ATOM 498 CD ARG A 173 -16.725 3.689 5.562 1.00 0.00 C ATOM 499 NE ARG A 173 -17.624 2.764 6.268 1.00 0.00 N ATOM 500 CZ ARG A 173 -18.037 2.898 7.538 1.00 0.00 C ATOM 501 NH1 ARG A 173 -17.435 3.747 8.361 1.00 0.00 N1+ ATOM 502 NH2 ARG A 173 -19.017 2.127 7.998 1.00 0.00 N ATOM 0 H ARG A 173 -13.162 2.838 3.735 1.00 0.00 H new ATOM 0 HA ARG A 173 -15.261 2.687 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -14.646 4.637 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -16.129 4.634 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -16.592 2.310 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -15.146 2.390 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -16.034 4.138 6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -17.308 4.501 5.129 1.00 0.00 H new ATOM 0 HE ARG A 173 -17.962 1.953 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -16.649 4.307 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -17.758 3.840 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -19.452 1.436 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -19.334 2.226 8.963 1.00 0.00 H new ATOM 516 N THR A 174 -13.110 5.183 1.733 1.00 0.00 N ATOM 517 CA THR A 174 -12.644 6.336 0.982 1.00 0.00 C ATOM 518 C THR A 174 -11.839 5.975 -0.284 1.00 0.00 C ATOM 519 O THR A 174 -11.901 6.684 -1.302 1.00 0.00 O ATOM 520 CB THR A 174 -11.809 7.254 1.898 1.00 0.00 C ATOM 521 OG1 THR A 174 -10.840 6.462 2.610 1.00 0.00 O ATOM 522 CG2 THR A 174 -12.696 7.971 2.903 1.00 0.00 C ATOM 0 H THR A 174 -12.564 4.987 2.572 1.00 0.00 H new ATOM 0 HA THR A 174 -13.536 6.856 0.633 1.00 0.00 H new ATOM 0 HB THR A 174 -11.310 7.998 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 174 -11.263 6.055 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 174 -12.083 8.612 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 174 -13.429 8.579 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 174 -13.213 7.237 3.521 1.00 0.00 H new ATOM 530 N LEU A 175 -11.095 4.901 -0.227 1.00 0.00 N ATOM 531 CA LEU A 175 -10.269 4.499 -1.339 1.00 0.00 C ATOM 532 C LEU A 175 -10.966 3.390 -2.102 1.00 0.00 C ATOM 533 O LEU A 175 -11.017 2.250 -1.667 1.00 0.00 O ATOM 534 CB LEU A 175 -8.890 4.068 -0.827 1.00 0.00 C ATOM 535 CG LEU A 175 -8.180 5.105 0.058 1.00 0.00 C ATOM 536 CD1 LEU A 175 -6.880 4.559 0.631 1.00 0.00 C ATOM 537 CD2 LEU A 175 -7.945 6.398 -0.712 1.00 0.00 C ATOM 0 H LEU A 175 -11.043 4.284 0.584 1.00 0.00 H new ATOM 0 HA LEU A 175 -10.118 5.334 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -9.000 3.143 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -8.253 3.844 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 175 -8.834 5.326 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -6.407 5.321 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -7.091 3.678 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -6.209 4.287 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -7.441 7.119 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -7.323 6.194 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -8.902 6.807 -1.036 1.00 0.00 H new ATOM 549 N THR A 176 -11.555 3.744 -3.203 1.00 0.00 N ATOM 550 CA THR A 176 -12.344 2.815 -3.972 1.00 0.00 C ATOM 551 C THR A 176 -11.604 2.260 -5.194 1.00 0.00 C ATOM 552 O THR A 176 -11.998 1.229 -5.760 1.00 0.00 O ATOM 553 CB THR A 176 -13.617 3.521 -4.417 1.00 0.00 C ATOM 554 OG1 THR A 176 -13.251 4.789 -5.005 1.00 0.00 O ATOM 555 CG2 THR A 176 -14.533 3.770 -3.231 1.00 0.00 C ATOM 0 H THR A 176 -11.506 4.683 -3.598 1.00 0.00 H new ATOM 0 HA THR A 176 -12.566 1.959 -3.334 1.00 0.00 H new ATOM 0 HB THR A 176 -14.144 2.896 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 176 -14.059 5.258 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 176 -15.437 4.275 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 176 -14.800 2.818 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 176 -14.020 4.395 -2.500 1.00 0.00 H new ATOM 563 N ASN A 177 -10.549 2.924 -5.595 1.00 0.00 N ATOM 564 CA ASN A 177 -9.800 2.523 -6.771 1.00 0.00 C ATOM 565 C ASN A 177 -8.346 2.790 -6.520 1.00 0.00 C ATOM 566 O ASN A 177 -8.021 3.661 -5.701 1.00 0.00 O ATOM 567 CB ASN A 177 -10.254 3.331 -7.996 1.00 0.00 C ATOM 568 CG ASN A 177 -9.610 2.863 -9.287 1.00 0.00 C ATOM 569 OD1 ASN A 177 -8.525 3.309 -9.645 1.00 0.00 O ATOM 570 ND2 ASN A 177 -10.265 1.988 -9.986 1.00 0.00 N ATOM 0 H ASN A 177 -10.183 3.751 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 177 -9.970 1.464 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -11.338 3.259 -8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -10.017 4.383 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.880 1.647 -10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -11.165 1.641 -9.655 1.00 0.00 H new ATOM 577 N TYR A 178 -7.477 2.078 -7.225 1.00 0.00 N ATOM 578 CA TYR A 178 -6.041 2.222 -7.103 1.00 0.00 C ATOM 579 C TYR A 178 -5.575 3.669 -7.317 1.00 0.00 C ATOM 580 O TYR A 178 -4.683 4.119 -6.633 1.00 0.00 O ATOM 581 CB TYR A 178 -5.315 1.268 -8.062 1.00 0.00 C ATOM 582 CG TYR A 178 -3.810 1.435 -8.079 1.00 0.00 C ATOM 583 CD1 TYR A 178 -3.003 0.859 -7.099 1.00 0.00 C ATOM 584 CD2 TYR A 178 -3.201 2.180 -9.076 1.00 0.00 C ATOM 585 CE1 TYR A 178 -1.632 1.027 -7.117 1.00 0.00 C ATOM 586 CE2 TYR A 178 -1.839 2.348 -9.101 1.00 0.00 C ATOM 587 CZ TYR A 178 -1.057 1.770 -8.123 1.00 0.00 C ATOM 588 OH TYR A 178 0.305 1.946 -8.145 1.00 0.00 O ATOM 0 H TYR A 178 -7.759 1.374 -7.907 1.00 0.00 H new ATOM 0 HA TYR A 178 -5.781 1.954 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -5.553 0.241 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -5.698 1.423 -9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -3.457 0.272 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -3.807 2.635 -9.845 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -1.018 0.580 -6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -1.380 2.932 -9.885 1.00 0.00 H new ATOM 0 HH TYR A 178 0.552 2.493 -8.919 1.00 0.00 H new ATOM 598 N LYS A 179 -6.185 4.398 -8.237 1.00 0.00 N ATOM 599 CA LYS A 179 -5.763 5.779 -8.461 1.00 0.00 C ATOM 600 C LYS A 179 -6.092 6.696 -7.280 1.00 0.00 C ATOM 601 O LYS A 179 -5.306 7.559 -6.922 1.00 0.00 O ATOM 602 CB LYS A 179 -6.217 6.335 -9.832 1.00 0.00 C ATOM 603 CG LYS A 179 -7.698 6.198 -10.185 1.00 0.00 C ATOM 604 CD LYS A 179 -8.585 7.170 -9.419 1.00 0.00 C ATOM 605 CE LYS A 179 -10.059 6.989 -9.757 1.00 0.00 C ATOM 606 NZ LYS A 179 -10.352 7.249 -11.181 1.00 0.00 N1+ ATOM 0 H LYS A 179 -6.951 4.074 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 179 -4.674 5.761 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -5.957 7.393 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -5.637 5.836 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -7.827 6.362 -11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -8.022 5.178 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -8.439 7.027 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -8.284 8.192 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -10.363 5.972 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -10.655 7.661 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -11.382 7.262 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -9.952 8.169 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -9.929 6.499 -11.765 1.00 0.00 H new ATOM 620 N ALA A 180 -7.232 6.453 -6.647 1.00 0.00 N ATOM 621 CA ALA A 180 -7.637 7.218 -5.459 1.00 0.00 C ATOM 622 C ALA A 180 -6.741 6.822 -4.304 1.00 0.00 C ATOM 623 O ALA A 180 -6.323 7.650 -3.492 1.00 0.00 O ATOM 624 CB ALA A 180 -9.091 6.929 -5.104 1.00 0.00 C ATOM 0 H ALA A 180 -7.897 5.734 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 180 -7.542 8.284 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 180 -9.372 7.505 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 180 -9.732 7.210 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 180 -9.210 5.866 -4.896 1.00 0.00 H new ATOM 630 N PHE A 181 -6.449 5.538 -4.271 1.00 0.00 N ATOM 631 CA PHE A 181 -5.563 4.933 -3.316 1.00 0.00 C ATOM 632 C PHE A 181 -4.184 5.554 -3.436 1.00 0.00 C ATOM 633 O PHE A 181 -3.597 5.964 -2.448 1.00 0.00 O ATOM 634 CB PHE A 181 -5.505 3.432 -3.602 1.00 0.00 C ATOM 635 CG PHE A 181 -4.585 2.655 -2.734 1.00 0.00 C ATOM 636 CD1 PHE A 181 -4.996 2.219 -1.501 1.00 0.00 C ATOM 637 CD2 PHE A 181 -3.303 2.351 -3.160 1.00 0.00 C ATOM 638 CE1 PHE A 181 -4.157 1.498 -0.702 1.00 0.00 C ATOM 639 CE2 PHE A 181 -2.460 1.627 -2.364 1.00 0.00 C ATOM 640 CZ PHE A 181 -2.891 1.201 -1.129 1.00 0.00 C ATOM 0 H PHE A 181 -6.839 4.869 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 181 -5.923 5.098 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 181 -6.509 3.020 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 181 -5.206 3.288 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 181 -5.994 2.449 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 181 -2.966 2.689 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 181 -4.492 1.162 0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 181 -1.462 1.391 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 181 -2.229 0.631 -0.495 1.00 0.00 H new ATOM 650 N SER A 182 -3.706 5.644 -4.658 1.00 0.00 N ATOM 651 CA SER A 182 -2.427 6.215 -4.973 1.00 0.00 C ATOM 652 C SER A 182 -2.373 7.667 -4.489 1.00 0.00 C ATOM 653 O SER A 182 -1.426 8.058 -3.847 1.00 0.00 O ATOM 654 CB SER A 182 -2.178 6.107 -6.492 1.00 0.00 C ATOM 655 OG SER A 182 -0.878 6.553 -6.868 1.00 0.00 O ATOM 0 H SER A 182 -4.214 5.311 -5.477 1.00 0.00 H new ATOM 0 HA SER A 182 -1.636 5.667 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 182 -2.307 5.071 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 182 -2.927 6.695 -7.022 1.00 0.00 H new ATOM 0 HG SER A 182 -0.769 6.463 -7.838 1.00 0.00 H new ATOM 661 N GLN A 183 -3.440 8.426 -4.728 1.00 0.00 N ATOM 662 CA GLN A 183 -3.513 9.832 -4.300 1.00 0.00 C ATOM 663 C GLN A 183 -3.410 9.986 -2.774 1.00 0.00 C ATOM 664 O GLN A 183 -3.039 11.043 -2.274 1.00 0.00 O ATOM 665 CB GLN A 183 -4.786 10.486 -4.817 1.00 0.00 C ATOM 666 CG GLN A 183 -4.831 10.605 -6.327 1.00 0.00 C ATOM 667 CD GLN A 183 -6.133 11.174 -6.847 1.00 0.00 C ATOM 668 OE1 GLN A 183 -6.792 11.987 -6.192 1.00 0.00 O ATOM 669 NE2 GLN A 183 -6.519 10.743 -8.015 1.00 0.00 N ATOM 0 H GLN A 183 -4.272 8.095 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 183 -2.652 10.341 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 183 -5.646 9.907 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 183 -4.879 11.480 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 183 -4.008 11.238 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 183 -4.672 9.620 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 183 -5.946 10.071 -8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 183 -7.394 11.078 -8.419 1.00 0.00 H new ATOM 678 N PHE A 184 -3.750 8.949 -2.053 1.00 0.00 N ATOM 679 CA PHE A 184 -3.624 8.951 -0.613 1.00 0.00 C ATOM 680 C PHE A 184 -2.264 8.394 -0.177 1.00 0.00 C ATOM 681 O PHE A 184 -1.505 9.049 0.543 1.00 0.00 O ATOM 682 CB PHE A 184 -4.767 8.140 0.027 1.00 0.00 C ATOM 683 CG PHE A 184 -4.641 7.969 1.520 1.00 0.00 C ATOM 684 CD1 PHE A 184 -4.921 9.012 2.374 1.00 0.00 C ATOM 685 CD2 PHE A 184 -4.221 6.762 2.062 1.00 0.00 C ATOM 686 CE1 PHE A 184 -4.789 8.861 3.737 1.00 0.00 C ATOM 687 CE2 PHE A 184 -4.083 6.605 3.419 1.00 0.00 C ATOM 688 CZ PHE A 184 -4.370 7.655 4.261 1.00 0.00 C ATOM 0 H PHE A 184 -4.121 8.082 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 184 -3.691 9.983 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 184 -5.714 8.632 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 184 -4.804 7.155 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 184 -5.248 9.959 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 184 -3.999 5.933 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 184 -5.014 9.687 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 184 -3.750 5.661 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 184 -4.268 7.536 5.329 1.00 0.00 H new ATOM 698 N VAL A 185 -1.960 7.210 -0.646 1.00 0.00 N ATOM 699 CA VAL A 185 -0.794 6.470 -0.204 1.00 0.00 C ATOM 700 C VAL A 185 0.526 7.042 -0.756 1.00 0.00 C ATOM 701 O VAL A 185 1.551 6.974 -0.086 1.00 0.00 O ATOM 702 CB VAL A 185 -0.951 4.952 -0.508 1.00 0.00 C ATOM 703 CG1 VAL A 185 0.202 4.141 0.046 1.00 0.00 C ATOM 704 CG2 VAL A 185 -2.250 4.446 0.078 1.00 0.00 C ATOM 0 H VAL A 185 -2.516 6.725 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.733 6.588 0.878 1.00 0.00 H new ATOM 0 HB VAL A 185 -0.955 4.832 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 185 0.052 3.087 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 185 1.135 4.483 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 185 0.250 4.268 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -2.356 3.383 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -2.247 4.599 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -3.085 4.991 -0.363 1.00 0.00 H new ATOM 714 N ARG A 186 0.491 7.638 -1.945 1.00 0.00 N ATOM 715 CA ARG A 186 1.690 8.271 -2.514 1.00 0.00 C ATOM 716 C ARG A 186 2.266 9.350 -1.548 1.00 0.00 C ATOM 717 O ARG A 186 3.412 9.222 -1.127 1.00 0.00 O ATOM 718 CB ARG A 186 1.425 8.837 -3.950 1.00 0.00 C ATOM 719 CG ARG A 186 2.421 9.877 -4.426 1.00 0.00 C ATOM 720 CD ARG A 186 3.822 9.325 -4.550 1.00 0.00 C ATOM 721 NE ARG A 186 4.806 10.401 -4.641 1.00 0.00 N ATOM 722 CZ ARG A 186 5.974 10.323 -5.273 1.00 0.00 C ATOM 723 NH1 ARG A 186 6.195 9.354 -6.161 1.00 0.00 N1+ ATOM 724 NH2 ARG A 186 6.890 11.260 -5.077 1.00 0.00 N ATOM 0 H ARG A 186 -0.341 7.699 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 186 2.452 7.499 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 186 1.425 8.007 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 186 0.427 9.275 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 186 2.101 10.266 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 186 2.425 10.716 -3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 186 4.046 8.696 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 186 3.889 8.691 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 186 4.579 11.284 -4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 186 5.467 8.668 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 186 7.092 9.299 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 186 6.698 12.036 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 186 7.787 11.205 -5.559 1.00 0.00 H new ATOM 738 N PRO A 187 1.481 10.411 -1.167 1.00 0.00 N ATOM 739 CA PRO A 187 1.940 11.418 -0.200 1.00 0.00 C ATOM 740 C PRO A 187 2.293 10.787 1.136 1.00 0.00 C ATOM 741 O PRO A 187 3.259 11.181 1.774 1.00 0.00 O ATOM 742 CB PRO A 187 0.729 12.339 -0.023 1.00 0.00 C ATOM 743 CG PRO A 187 -0.079 12.150 -1.247 1.00 0.00 C ATOM 744 CD PRO A 187 0.139 10.737 -1.680 1.00 0.00 C ATOM 0 HA PRO A 187 2.836 11.932 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 187 0.161 12.076 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 187 1.037 13.378 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -1.134 12.337 -1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 187 0.228 12.847 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -0.619 10.071 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 187 0.092 10.640 -2.765 1.00 0.00 H new ATOM 752 N LEU A 188 1.521 9.776 1.515 1.00 0.00 N ATOM 753 CA LEU A 188 1.688 9.067 2.760 1.00 0.00 C ATOM 754 C LEU A 188 3.105 8.489 2.878 1.00 0.00 C ATOM 755 O LEU A 188 3.787 8.687 3.895 1.00 0.00 O ATOM 756 CB LEU A 188 0.643 7.951 2.833 1.00 0.00 C ATOM 757 CG LEU A 188 0.604 7.130 4.110 1.00 0.00 C ATOM 758 CD1 LEU A 188 0.208 7.980 5.312 1.00 0.00 C ATOM 759 CD2 LEU A 188 -0.325 5.944 3.953 1.00 0.00 C ATOM 0 H LEU A 188 0.749 9.426 0.948 1.00 0.00 H new ATOM 0 HA LEU A 188 1.548 9.758 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -0.341 8.397 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 188 0.813 7.272 1.998 1.00 0.00 H new ATOM 0 HG LEU A 188 1.611 6.756 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.191 7.359 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.931 8.785 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -0.782 8.405 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -0.339 5.368 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -1.332 6.297 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 188 0.027 5.312 3.138 1.00 0.00 H new ATOM 771 N ILE A 189 3.555 7.794 1.845 1.00 0.00 N ATOM 772 CA ILE A 189 4.870 7.190 1.871 1.00 0.00 C ATOM 773 C ILE A 189 5.958 8.217 1.499 1.00 0.00 C ATOM 774 O ILE A 189 7.058 8.197 2.057 1.00 0.00 O ATOM 775 CB ILE A 189 4.983 5.976 0.918 1.00 0.00 C ATOM 776 CG1 ILE A 189 3.752 5.073 1.006 1.00 0.00 C ATOM 777 CG2 ILE A 189 6.210 5.158 1.307 1.00 0.00 C ATOM 778 CD1 ILE A 189 3.726 3.978 -0.046 1.00 0.00 C ATOM 0 H ILE A 189 3.030 7.637 0.985 1.00 0.00 H new ATOM 0 HA ILE A 189 5.022 6.841 2.892 1.00 0.00 H new ATOM 0 HB ILE A 189 5.064 6.352 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 189 3.717 4.616 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 189 2.855 5.684 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 189 6.300 4.299 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 189 7.102 5.778 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 189 6.105 4.811 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 189 2.825 3.377 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 189 3.730 4.427 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 189 4.604 3.343 0.068 1.00 0.00 H new ATOM 790 N ALA A 190 5.644 9.124 0.581 1.00 0.00 N ATOM 791 CA ALA A 190 6.628 10.105 0.094 1.00 0.00 C ATOM 792 C ALA A 190 6.973 11.152 1.145 1.00 0.00 C ATOM 793 O ALA A 190 8.036 11.766 1.091 1.00 0.00 O ATOM 794 CB ALA A 190 6.165 10.767 -1.194 1.00 0.00 C ATOM 0 H ALA A 190 4.721 9.207 0.155 1.00 0.00 H new ATOM 0 HA ALA A 190 7.540 9.547 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 190 6.916 11.485 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 190 6.026 10.008 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 190 5.221 11.284 -1.019 1.00 0.00 H new ATOM 800 N ALA A 191 6.077 11.359 2.094 1.00 0.00 N ATOM 801 CA ALA A 191 6.336 12.266 3.206 1.00 0.00 C ATOM 802 C ALA A 191 7.365 11.649 4.138 1.00 0.00 C ATOM 803 O ALA A 191 8.072 12.346 4.866 1.00 0.00 O ATOM 804 CB ALA A 191 5.055 12.565 3.969 1.00 0.00 C ATOM 0 H ALA A 191 5.161 10.912 2.120 1.00 0.00 H new ATOM 0 HA ALA A 191 6.723 13.204 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 191 5.273 13.243 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 191 4.332 13.029 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.641 11.637 4.362 1.00 0.00 H new ATOM 810 N LYS A 192 7.445 10.337 4.104 1.00 0.00 N ATOM 811 CA LYS A 192 8.376 9.604 4.920 1.00 0.00 C ATOM 812 C LYS A 192 9.675 9.416 4.167 1.00 0.00 C ATOM 813 O LYS A 192 10.742 9.343 4.763 1.00 0.00 O ATOM 814 CB LYS A 192 7.781 8.236 5.265 1.00 0.00 C ATOM 815 CG LYS A 192 6.489 8.314 6.053 1.00 0.00 C ATOM 816 CD LYS A 192 6.695 8.698 7.521 1.00 0.00 C ATOM 817 CE LYS A 192 6.929 7.472 8.425 1.00 0.00 C ATOM 818 NZ LYS A 192 8.176 6.722 8.145 1.00 0.00 N1+ ATOM 0 H LYS A 192 6.863 9.751 3.506 1.00 0.00 H new ATOM 0 HA LYS A 192 8.570 10.159 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 192 7.600 7.685 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 192 8.512 7.666 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 192 5.829 9.043 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 192 5.984 7.349 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 192 7.548 9.372 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 192 5.822 9.246 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 192 6.946 7.802 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 192 6.082 6.794 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 192 8.656 6.500 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 192 7.945 5.838 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 192 8.803 7.301 7.550 1.00 0.00 H new ATOM 832 N ASN A 193 9.595 9.369 2.851 1.00 0.00 N ATOM 833 CA ASN A 193 10.784 9.137 2.061 1.00 0.00 C ATOM 834 C ASN A 193 10.892 10.119 0.906 1.00 0.00 C ATOM 835 O ASN A 193 10.424 9.836 -0.211 1.00 0.00 O ATOM 836 CB ASN A 193 10.845 7.701 1.507 1.00 0.00 C ATOM 837 CG ASN A 193 10.595 6.635 2.543 1.00 0.00 C ATOM 838 OD1 ASN A 193 11.502 6.207 3.263 1.00 0.00 O ATOM 839 ND2 ASN A 193 9.368 6.164 2.598 1.00 0.00 N ATOM 0 H ASN A 193 8.735 9.486 2.316 1.00 0.00 H new ATOM 0 HA ASN A 193 11.625 9.286 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 193 10.109 7.598 0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 193 11.825 7.536 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.137 5.417 3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.647 6.546 1.985 1.00 0.00 H new ATOM 846 N PRO A 194 11.436 11.318 1.153 1.00 0.00 N ATOM 847 CA PRO A 194 11.698 12.284 0.088 1.00 0.00 C ATOM 848 C PRO A 194 12.865 11.825 -0.803 1.00 0.00 C ATOM 849 O PRO A 194 12.968 12.207 -1.958 1.00 0.00 O ATOM 850 CB PRO A 194 12.076 13.567 0.841 1.00 0.00 C ATOM 851 CG PRO A 194 12.553 13.106 2.174 1.00 0.00 C ATOM 852 CD PRO A 194 11.768 11.870 2.489 1.00 0.00 C ATOM 0 HA PRO A 194 10.843 12.412 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 194 12.853 14.120 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 194 11.220 14.235 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 194 13.622 12.895 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 194 12.394 13.873 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 194 12.351 11.164 3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 194 10.870 12.101 3.062 1.00 0.00 H new ATOM 860 N LYS A 195 13.685 10.937 -0.260 1.00 0.00 N ATOM 861 CA LYS A 195 14.901 10.442 -0.917 1.00 0.00 C ATOM 862 C LYS A 195 14.570 9.188 -1.769 1.00 0.00 C ATOM 863 O LYS A 195 15.446 8.405 -2.157 1.00 0.00 O ATOM 864 CB LYS A 195 15.898 10.105 0.202 1.00 0.00 C ATOM 865 CG LYS A 195 17.353 9.960 -0.191 1.00 0.00 C ATOM 866 CD LYS A 195 18.188 9.697 1.060 1.00 0.00 C ATOM 867 CE LYS A 195 19.678 9.745 0.786 1.00 0.00 C ATOM 868 NZ LYS A 195 20.127 11.080 0.309 1.00 0.00 N1+ ATOM 0 H LYS A 195 13.528 10.530 0.662 1.00 0.00 H new ATOM 0 HA LYS A 195 15.324 11.186 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 195 15.829 10.883 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 195 15.579 9.173 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 195 17.471 9.140 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 195 17.699 10.865 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 195 17.938 10.436 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 195 17.928 8.720 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 195 20.220 9.487 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 195 19.931 8.992 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 21.161 11.149 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 19.852 11.203 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 19.682 11.822 0.885 1.00 0.00 H new ATOM 882 N ILE A 196 13.306 9.029 -2.069 1.00 0.00 N ATOM 883 CA ILE A 196 12.825 7.903 -2.824 1.00 0.00 C ATOM 884 C ILE A 196 12.556 8.256 -4.288 1.00 0.00 C ATOM 885 O ILE A 196 11.957 9.294 -4.596 1.00 0.00 O ATOM 886 CB ILE A 196 11.575 7.257 -2.135 1.00 0.00 C ATOM 887 CG1 ILE A 196 11.965 6.002 -1.339 1.00 0.00 C ATOM 888 CG2 ILE A 196 10.439 6.959 -3.097 1.00 0.00 C ATOM 889 CD1 ILE A 196 12.475 4.854 -2.197 1.00 0.00 C ATOM 0 H ILE A 196 12.575 9.685 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 196 13.619 7.156 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 196 11.196 8.007 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 196 12.734 6.269 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 196 11.099 5.661 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 196 9.607 6.513 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 196 10.109 7.885 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 196 10.784 6.265 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 196 12.728 4.007 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.701 4.556 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 196 13.362 5.174 -2.744 1.00 0.00 H new ATOM 901 N ALA A 197 13.024 7.394 -5.168 1.00 0.00 N ATOM 902 CA ALA A 197 12.796 7.510 -6.595 1.00 0.00 C ATOM 903 C ALA A 197 11.416 6.937 -6.947 1.00 0.00 C ATOM 904 O ALA A 197 10.937 6.005 -6.276 1.00 0.00 O ATOM 905 CB ALA A 197 13.880 6.759 -7.334 1.00 0.00 C ATOM 0 H ALA A 197 13.582 6.581 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 197 12.823 8.559 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 197 13.713 6.843 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 197 14.852 7.183 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 197 13.857 5.708 -7.044 1.00 0.00 H new ATOM 911 N VAL A 198 10.798 7.442 -8.007 1.00 0.00 N ATOM 912 CA VAL A 198 9.434 7.034 -8.362 1.00 0.00 C ATOM 913 C VAL A 198 9.349 5.564 -8.802 1.00 0.00 C ATOM 914 O VAL A 198 8.359 4.895 -8.515 1.00 0.00 O ATOM 915 CB VAL A 198 8.756 7.977 -9.410 1.00 0.00 C ATOM 916 CG1 VAL A 198 9.465 7.948 -10.741 1.00 0.00 C ATOM 917 CG2 VAL A 198 7.268 7.660 -9.572 1.00 0.00 C ATOM 0 H VAL A 198 11.211 8.131 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 198 8.864 7.132 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 198 8.841 8.992 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 198 8.960 8.617 -11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 198 10.497 8.272 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 198 9.451 6.933 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 198 6.830 8.335 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 198 7.150 6.630 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 198 6.762 7.789 -8.615 1.00 0.00 H new ATOM 927 N SER A 199 10.394 5.051 -9.452 1.00 0.00 N ATOM 928 CA SER A 199 10.421 3.659 -9.876 1.00 0.00 C ATOM 929 C SER A 199 10.313 2.734 -8.660 1.00 0.00 C ATOM 930 O SER A 199 9.693 1.680 -8.711 1.00 0.00 O ATOM 931 CB SER A 199 11.688 3.377 -10.673 1.00 0.00 C ATOM 932 OG SER A 199 11.778 4.254 -11.784 1.00 0.00 O ATOM 0 H SER A 199 11.231 5.582 -9.694 1.00 0.00 H new ATOM 0 HA SER A 199 9.565 3.466 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 199 12.562 3.499 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 199 11.686 2.343 -11.017 1.00 0.00 H new ATOM 0 HG SER A 199 12.598 4.063 -12.286 1.00 0.00 H new ATOM 938 N LYS A 200 10.910 3.155 -7.572 1.00 0.00 N ATOM 939 CA LYS A 200 10.811 2.439 -6.323 1.00 0.00 C ATOM 940 C LYS A 200 9.427 2.616 -5.709 1.00 0.00 C ATOM 941 O LYS A 200 8.762 1.654 -5.358 1.00 0.00 O ATOM 942 CB LYS A 200 11.914 2.864 -5.346 1.00 0.00 C ATOM 943 CG LYS A 200 13.283 2.201 -5.565 1.00 0.00 C ATOM 944 CD LYS A 200 13.862 2.409 -6.955 1.00 0.00 C ATOM 945 CE LYS A 200 15.169 1.656 -7.092 1.00 0.00 C ATOM 946 NZ LYS A 200 15.751 1.774 -8.440 1.00 0.00 N1+ ATOM 0 H LYS A 200 11.477 4.002 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 200 10.954 1.379 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 200 12.038 3.945 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 200 11.581 2.644 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 200 13.985 2.592 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 200 13.190 1.131 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 200 13.154 2.064 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 200 14.025 3.472 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 200 15.881 2.034 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 200 15.004 0.603 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 16.643 1.241 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 15.086 1.389 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 15.936 2.775 -8.652 1.00 0.00 H new ATOM 960 N MET A 201 8.990 3.858 -5.636 1.00 0.00 N ATOM 961 CA MET A 201 7.705 4.217 -5.027 1.00 0.00 C ATOM 962 C MET A 201 6.505 3.544 -5.719 1.00 0.00 C ATOM 963 O MET A 201 5.562 3.109 -5.055 1.00 0.00 O ATOM 964 CB MET A 201 7.555 5.744 -4.988 1.00 0.00 C ATOM 965 CG MET A 201 6.232 6.261 -4.408 1.00 0.00 C ATOM 966 SD MET A 201 5.843 5.620 -2.753 1.00 0.00 S ATOM 967 CE MET A 201 7.312 6.046 -1.820 1.00 0.00 C ATOM 0 H MET A 201 9.512 4.657 -5.996 1.00 0.00 H new ATOM 0 HA MET A 201 7.706 3.836 -4.006 1.00 0.00 H new ATOM 0 HB2 MET A 201 8.375 6.158 -4.402 1.00 0.00 H new ATOM 0 HB3 MET A 201 7.662 6.129 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 201 6.268 7.350 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 201 5.422 5.996 -5.088 1.00 0.00 H new ATOM 0 HE1 MET A 201 7.022 6.454 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 201 7.920 5.154 -1.671 1.00 0.00 H new ATOM 0 HE3 MET A 201 7.889 6.790 -2.369 1.00 0.00 H new ATOM 977 N MET A 202 6.565 3.419 -7.039 1.00 0.00 N ATOM 978 CA MET A 202 5.477 2.785 -7.796 1.00 0.00 C ATOM 979 C MET A 202 5.342 1.302 -7.422 1.00 0.00 C ATOM 980 O MET A 202 4.252 0.719 -7.509 1.00 0.00 O ATOM 981 CB MET A 202 5.653 2.952 -9.328 1.00 0.00 C ATOM 982 CG MET A 202 6.842 2.220 -9.930 1.00 0.00 C ATOM 983 SD MET A 202 6.966 2.434 -11.722 1.00 0.00 S ATOM 984 CE MET A 202 8.328 1.327 -12.100 1.00 0.00 C ATOM 0 H MET A 202 7.346 3.743 -7.610 1.00 0.00 H new ATOM 0 HA MET A 202 4.556 3.298 -7.521 1.00 0.00 H new ATOM 0 HB2 MET A 202 4.746 2.604 -9.821 1.00 0.00 H new ATOM 0 HB3 MET A 202 5.750 4.014 -9.552 1.00 0.00 H new ATOM 0 HG2 MET A 202 7.758 2.579 -9.462 1.00 0.00 H new ATOM 0 HG3 MET A 202 6.762 1.157 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 202 8.837 1.671 -13.000 1.00 0.00 H new ATOM 0 HE2 MET A 202 9.031 1.317 -11.267 1.00 0.00 H new ATOM 0 HE3 MET A 202 7.944 0.320 -12.263 1.00 0.00 H new ATOM 994 N MET A 203 6.451 0.702 -6.991 1.00 0.00 N ATOM 995 CA MET A 203 6.455 -0.685 -6.553 1.00 0.00 C ATOM 996 C MET A 203 5.717 -0.791 -5.235 1.00 0.00 C ATOM 997 O MET A 203 4.873 -1.673 -5.046 1.00 0.00 O ATOM 998 CB MET A 203 7.888 -1.222 -6.380 1.00 0.00 C ATOM 999 CG MET A 203 8.730 -1.246 -7.646 1.00 0.00 C ATOM 1000 SD MET A 203 8.040 -2.303 -8.931 1.00 0.00 S ATOM 1001 CE MET A 203 9.280 -2.127 -10.215 1.00 0.00 C ATOM 0 H MET A 203 7.360 1.161 -6.937 1.00 0.00 H new ATOM 0 HA MET A 203 5.961 -1.285 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 203 8.399 -0.613 -5.635 1.00 0.00 H new ATOM 0 HB3 MET A 203 7.833 -2.235 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 203 8.826 -0.231 -8.031 1.00 0.00 H new ATOM 0 HG3 MET A 203 9.735 -1.590 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 203 8.995 -2.725 -11.081 1.00 0.00 H new ATOM 0 HE2 MET A 203 9.356 -1.079 -10.506 1.00 0.00 H new ATOM 0 HE3 MET A 203 10.244 -2.470 -9.839 1.00 0.00 H new ATOM 1011 N VAL A 204 6.003 0.151 -4.340 1.00 0.00 N ATOM 1012 CA VAL A 204 5.405 0.162 -3.018 1.00 0.00 C ATOM 1013 C VAL A 204 3.915 0.383 -3.131 1.00 0.00 C ATOM 1014 O VAL A 204 3.142 -0.348 -2.542 1.00 0.00 O ATOM 1015 CB VAL A 204 5.996 1.252 -2.098 1.00 0.00 C ATOM 1016 CG1 VAL A 204 5.498 1.066 -0.675 1.00 0.00 C ATOM 1017 CG2 VAL A 204 7.503 1.245 -2.134 1.00 0.00 C ATOM 0 H VAL A 204 6.651 0.920 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 204 5.625 -0.807 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 204 5.660 2.221 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 204 5.922 1.841 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 204 4.410 1.137 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 204 5.803 0.086 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.886 2.024 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.870 0.275 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.843 1.431 -3.153 1.00 0.00 H new ATOM 1027 N LEU A 205 3.526 1.376 -3.923 1.00 0.00 N ATOM 1028 CA LEU A 205 2.118 1.698 -4.154 1.00 0.00 C ATOM 1029 C LEU A 205 1.336 0.507 -4.683 1.00 0.00 C ATOM 1030 O LEU A 205 0.190 0.265 -4.284 1.00 0.00 O ATOM 1031 CB LEU A 205 1.988 2.873 -5.105 1.00 0.00 C ATOM 1032 CG LEU A 205 2.413 4.229 -4.547 1.00 0.00 C ATOM 1033 CD1 LEU A 205 2.186 5.279 -5.572 1.00 0.00 C ATOM 1034 CD2 LEU A 205 1.629 4.552 -3.292 1.00 0.00 C ATOM 0 H LEU A 205 4.176 1.982 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 205 1.690 1.969 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 205 2.583 2.664 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 205 0.949 2.943 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 205 3.472 4.193 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 205 2.489 6.247 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 205 2.774 5.052 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 205 1.128 5.309 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 205 1.943 5.522 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 205 0.565 4.582 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 205 1.814 3.785 -2.540 1.00 0.00 H new ATOM 1046 N GLY A 206 1.980 -0.258 -5.540 1.00 0.00 N ATOM 1047 CA GLY A 206 1.357 -1.439 -6.109 1.00 0.00 C ATOM 1048 C GLY A 206 1.177 -2.526 -5.066 1.00 0.00 C ATOM 1049 O GLY A 206 0.119 -3.175 -4.985 1.00 0.00 O ATOM 0 H GLY A 206 2.933 -0.085 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 206 0.388 -1.173 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 206 1.969 -1.816 -6.928 1.00 0.00 H new ATOM 1053 N ALA A 207 2.193 -2.702 -4.248 1.00 0.00 N ATOM 1054 CA ALA A 207 2.178 -3.695 -3.195 1.00 0.00 C ATOM 1055 C ALA A 207 1.234 -3.282 -2.052 1.00 0.00 C ATOM 1056 O ALA A 207 0.581 -4.118 -1.443 1.00 0.00 O ATOM 1057 CB ALA A 207 3.585 -3.932 -2.688 1.00 0.00 C ATOM 0 H ALA A 207 3.055 -2.159 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 207 1.796 -4.630 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 207 3.565 -4.680 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 207 4.212 -4.286 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 207 3.992 -3.000 -2.296 1.00 0.00 H new ATOM 1063 N LYS A 208 1.171 -1.992 -1.764 1.00 0.00 N ATOM 1064 CA LYS A 208 0.256 -1.465 -0.752 1.00 0.00 C ATOM 1065 C LYS A 208 -1.193 -1.750 -1.148 1.00 0.00 C ATOM 1066 O LYS A 208 -2.024 -2.094 -0.304 1.00 0.00 O ATOM 1067 CB LYS A 208 0.468 0.044 -0.552 1.00 0.00 C ATOM 1068 CG LYS A 208 1.765 0.439 0.142 1.00 0.00 C ATOM 1069 CD LYS A 208 1.768 0.091 1.624 1.00 0.00 C ATOM 1070 CE LYS A 208 3.052 0.573 2.292 1.00 0.00 C ATOM 1071 NZ LYS A 208 3.052 0.345 3.743 1.00 0.00 N1+ ATOM 0 H LYS A 208 1.746 -1.282 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 208 0.468 -1.966 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 208 0.436 0.530 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -0.368 0.437 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 208 2.601 -0.062 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 208 1.923 1.511 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 208 0.906 0.547 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 208 1.671 -0.987 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 208 3.904 0.059 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 208 3.183 1.637 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 2.961 1.255 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 2.252 -0.269 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 3.943 -0.113 4.022 1.00 0.00 H new ATOM 1085 N TRP A 209 -1.476 -1.634 -2.448 1.00 0.00 N ATOM 1086 CA TRP A 209 -2.803 -1.919 -2.999 1.00 0.00 C ATOM 1087 C TRP A 209 -3.168 -3.373 -2.768 1.00 0.00 C ATOM 1088 O TRP A 209 -4.327 -3.711 -2.488 1.00 0.00 O ATOM 1089 CB TRP A 209 -2.834 -1.594 -4.496 1.00 0.00 C ATOM 1090 CG TRP A 209 -4.132 -1.935 -5.180 1.00 0.00 C ATOM 1091 CD1 TRP A 209 -4.337 -2.906 -6.117 1.00 0.00 C ATOM 1092 CD2 TRP A 209 -5.403 -1.321 -4.955 1.00 0.00 C ATOM 1093 NE1 TRP A 209 -5.654 -2.910 -6.510 1.00 0.00 N ATOM 1094 CE2 TRP A 209 -6.330 -1.950 -5.801 1.00 0.00 C ATOM 1095 CE3 TRP A 209 -5.837 -0.302 -4.122 1.00 0.00 C ATOM 1096 CZ2 TRP A 209 -7.671 -1.581 -5.834 1.00 0.00 C ATOM 1097 CZ3 TRP A 209 -7.167 0.063 -4.152 1.00 0.00 C ATOM 1098 CH2 TRP A 209 -8.070 -0.576 -5.002 1.00 0.00 C ATOM 0 H TRP A 209 -0.793 -1.341 -3.147 1.00 0.00 H new ATOM 0 HA TRP A 209 -3.535 -1.292 -2.490 1.00 0.00 H new ATOM 0 HB2 TRP A 209 -2.636 -0.530 -4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 209 -2.025 -2.133 -4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 209 -3.576 -3.573 -6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 209 -6.062 -3.526 -7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 209 -5.145 0.198 -3.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 209 -8.371 -2.072 -6.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 209 -7.515 0.856 -3.507 1.00 0.00 H new ATOM 0 HH2 TRP A 209 -9.105 -0.269 -5.001 1.00 0.00 H new ATOM 1109 N ARG A 210 -2.172 -4.213 -2.881 1.00 0.00 N ATOM 1110 CA ARG A 210 -2.318 -5.639 -2.654 1.00 0.00 C ATOM 1111 C ARG A 210 -2.822 -5.886 -1.233 1.00 0.00 C ATOM 1112 O ARG A 210 -3.784 -6.625 -1.027 1.00 0.00 O ATOM 1113 CB ARG A 210 -0.973 -6.352 -2.855 1.00 0.00 C ATOM 1114 CG ARG A 210 -1.039 -7.868 -2.814 1.00 0.00 C ATOM 1115 CD ARG A 210 -1.912 -8.391 -3.932 1.00 0.00 C ATOM 1116 NE ARG A 210 -1.907 -9.846 -4.022 1.00 0.00 N ATOM 1117 CZ ARG A 210 -2.101 -10.522 -5.161 1.00 0.00 C ATOM 1118 NH1 ARG A 210 -2.394 -9.869 -6.286 1.00 0.00 N1+ ATOM 1119 NH2 ARG A 210 -2.025 -11.845 -5.177 1.00 0.00 N ATOM 0 H ARG A 210 -1.226 -3.930 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 210 -3.038 -6.036 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -0.557 -6.047 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -0.280 -6.012 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -0.035 -8.284 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.435 -8.195 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -2.934 -8.045 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -1.571 -7.972 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 210 -1.746 -10.380 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -2.471 -8.852 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -2.541 -10.387 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -1.818 -12.354 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -2.174 -12.354 -6.048 1.00 0.00 H new ATOM 1133 N GLU A 211 -2.198 -5.222 -0.277 1.00 0.00 N ATOM 1134 CA GLU A 211 -2.538 -5.358 1.138 1.00 0.00 C ATOM 1135 C GLU A 211 -3.928 -4.820 1.369 1.00 0.00 C ATOM 1136 O GLU A 211 -4.762 -5.473 2.009 1.00 0.00 O ATOM 1137 CB GLU A 211 -1.557 -4.570 2.008 1.00 0.00 C ATOM 1138 CG GLU A 211 -0.100 -4.801 1.669 1.00 0.00 C ATOM 1139 CD GLU A 211 0.309 -6.247 1.717 1.00 0.00 C ATOM 1140 OE1 GLU A 211 0.108 -6.970 0.720 1.00 0.00 O ATOM 1141 OE2 GLU A 211 0.891 -6.676 2.727 1.00 0.00 O1- ATOM 0 H GLU A 211 -1.436 -4.568 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 211 -2.486 -6.413 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.776 -3.507 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.722 -4.835 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.098 -4.409 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.520 -4.234 2.363 1.00 0.00 H new ATOM 1148 N PHE A 212 -4.172 -3.638 0.803 1.00 0.00 N ATOM 1149 CA PHE A 212 -5.444 -2.946 0.899 1.00 0.00 C ATOM 1150 C PHE A 212 -6.567 -3.839 0.443 1.00 0.00 C ATOM 1151 O PHE A 212 -7.554 -3.955 1.111 1.00 0.00 O ATOM 1152 CB PHE A 212 -5.417 -1.672 0.040 1.00 0.00 C ATOM 1153 CG PHE A 212 -6.668 -0.819 0.122 1.00 0.00 C ATOM 1154 CD1 PHE A 212 -6.819 0.091 1.147 1.00 0.00 C ATOM 1155 CD2 PHE A 212 -7.680 -0.923 -0.835 1.00 0.00 C ATOM 1156 CE1 PHE A 212 -7.945 0.882 1.228 1.00 0.00 C ATOM 1157 CE2 PHE A 212 -8.815 -0.126 -0.753 1.00 0.00 C ATOM 1158 CZ PHE A 212 -8.940 0.768 0.280 1.00 0.00 C ATOM 0 H PHE A 212 -3.475 -3.131 0.257 1.00 0.00 H new ATOM 0 HA PHE A 212 -5.610 -2.675 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 212 -4.562 -1.067 0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 212 -5.256 -1.956 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 212 -6.046 0.185 1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 212 -7.579 -1.629 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 212 -8.048 1.592 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 212 -9.593 -0.210 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 212 -9.823 1.386 0.351 1.00 0.00 H new ATOM 1168 N SER A 213 -6.380 -4.478 -0.684 1.00 0.00 N ATOM 1169 CA SER A 213 -7.385 -5.336 -1.257 1.00 0.00 C ATOM 1170 C SER A 213 -7.538 -6.648 -0.466 1.00 0.00 C ATOM 1171 O SER A 213 -8.648 -7.156 -0.289 1.00 0.00 O ATOM 1172 CB SER A 213 -7.023 -5.622 -2.706 1.00 0.00 C ATOM 1173 OG SER A 213 -6.821 -4.402 -3.426 1.00 0.00 O ATOM 0 H SER A 213 -5.522 -4.417 -1.232 1.00 0.00 H new ATOM 0 HA SER A 213 -8.347 -4.825 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.118 -6.229 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.817 -6.201 -3.177 1.00 0.00 H new ATOM 0 HG SER A 213 -5.942 -4.031 -3.202 1.00 0.00 H new ATOM 1179 N THR A 214 -6.436 -7.171 0.031 1.00 0.00 N ATOM 1180 CA THR A 214 -6.436 -8.441 0.734 1.00 0.00 C ATOM 1181 C THR A 214 -7.092 -8.340 2.127 1.00 0.00 C ATOM 1182 O THR A 214 -7.863 -9.205 2.514 1.00 0.00 O ATOM 1183 CB THR A 214 -4.996 -9.002 0.846 1.00 0.00 C ATOM 1184 OG1 THR A 214 -4.439 -9.141 -0.481 1.00 0.00 O ATOM 1185 CG2 THR A 214 -4.975 -10.355 1.544 1.00 0.00 C ATOM 0 H THR A 214 -5.518 -6.732 -0.039 1.00 0.00 H new ATOM 0 HA THR A 214 -7.039 -9.133 0.147 1.00 0.00 H new ATOM 0 HB THR A 214 -4.403 -8.306 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.300 -8.253 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 214 -3.949 -10.717 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 214 -5.383 -10.252 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 214 -5.578 -11.066 0.979 1.00 0.00 H new ATOM 1193 N ASN A 215 -6.835 -7.266 2.838 1.00 0.00 N ATOM 1194 CA ASN A 215 -7.339 -7.116 4.210 1.00 0.00 C ATOM 1195 C ASN A 215 -8.682 -6.359 4.208 1.00 0.00 C ATOM 1196 O ASN A 215 -9.232 -6.004 5.255 1.00 0.00 O ATOM 1197 CB ASN A 215 -6.277 -6.373 5.054 1.00 0.00 C ATOM 1198 CG ASN A 215 -6.561 -6.319 6.559 1.00 0.00 C ATOM 1199 OD1 ASN A 215 -7.148 -7.354 7.111 1.00 0.00 O flip ATOM 1200 ND2 ASN A 215 -6.182 -5.363 7.234 1.00 0.00 N flip ATOM 0 H ASN A 215 -6.282 -6.477 2.502 1.00 0.00 H new ATOM 0 HA ASN A 215 -7.518 -8.097 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 215 -5.311 -6.855 4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 215 -6.188 -5.353 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 215 -5.728 -4.569 6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 215 -6.322 -5.365 8.244 1.00 0.00 H new ATOM 1207 N ASN A 216 -9.231 -6.186 3.033 1.00 0.00 N ATOM 1208 CA ASN A 216 -10.434 -5.406 2.857 1.00 0.00 C ATOM 1209 C ASN A 216 -11.670 -6.308 2.817 1.00 0.00 C ATOM 1210 O ASN A 216 -11.751 -7.231 1.993 1.00 0.00 O ATOM 1211 CB ASN A 216 -10.323 -4.627 1.559 1.00 0.00 C ATOM 1212 CG ASN A 216 -11.290 -3.480 1.423 1.00 0.00 C ATOM 1213 OD1 ASN A 216 -12.403 -3.504 1.922 1.00 0.00 O ATOM 1214 ND2 ASN A 216 -10.854 -2.446 0.753 1.00 0.00 N ATOM 0 H ASN A 216 -8.858 -6.581 2.170 1.00 0.00 H new ATOM 0 HA ASN A 216 -10.543 -4.723 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 216 -9.308 -4.240 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 216 -10.476 -5.313 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 216 -11.450 -1.627 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 216 -9.918 -2.458 0.348 1.00 0.00 H new