USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot -41:sc= -6.02! USER MOD Set 1.2: A 214 ASN : amide:sc= 1.03 K(o=-0.95,f=-4.6!) USER MOD Set 1.3: A 217 CYS SG : rot -174:sc= 1.77 USER MOD Set 1.4: A 239 CYS SG : rot 156:sc= 0.574 USER MOD Set 1.5: A 242 CYS SG : rot 110:sc= 1.68 USER MOD Set 2.1: A 206 TYR OH : rot 167:sc= 0.18 USER MOD Set 2.2: A 209 MET CE :methyl -168:sc= -0.13 (180deg=-0.508) USER MOD Set 3.1: A 203 GLN :FLIP amide:sc= -1.92 F(o=-3.2!,f=-2.7) USER MOD Set 3.2: A 223 HIS :FLIP no HE2:sc= -0.796 F(o=-3.6,f=-2.7) USER MOD Set 4.1: A 197 THR OG1 : rot 125:sc= 0.0631 USER MOD Set 4.2: A 202 HIS : no HD1:sc= 0.0587 X(o=0.12,f=-0.074) USER MOD Set 5.1: A 199 CYS SG : rot -161:sc= 0.253 USER MOD Set 5.2: A 201 CYS SG : rot 114:sc= 0.156 USER MOD Set 5.3: A 226 CYS SG : rot 135:sc= 0.681 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.02) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc=0.000222 K(o=0.00022,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.834 16.600 5.316 1.00 0.00 N ATOM 135 CA PRO A 196 9.145 17.383 6.339 1.00 0.00 C ATOM 136 C PRO A 196 7.998 18.213 5.743 1.00 0.00 C ATOM 137 O PRO A 196 7.967 18.491 4.543 1.00 0.00 O ATOM 138 CB PRO A 196 10.222 18.272 6.968 1.00 0.00 C ATOM 139 CG PRO A 196 11.218 18.474 5.829 1.00 0.00 C ATOM 140 CD PRO A 196 11.169 17.138 5.090 1.00 0.00 C ATOM 0 HA PRO A 196 8.675 16.741 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.810 19.220 7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.687 17.792 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.930 19.303 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.219 18.693 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.359 17.274 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.932 16.457 5.465 1.00 0.00 H new ATOM 148 N THR A 197 7.060 18.622 6.606 1.00 0.00 N ATOM 149 CA THR A 197 5.853 19.355 6.244 1.00 0.00 C ATOM 150 C THR A 197 5.511 20.383 7.332 1.00 0.00 C ATOM 151 O THR A 197 6.164 20.445 8.375 1.00 0.00 O ATOM 152 CB THR A 197 4.672 18.387 6.010 1.00 0.00 C ATOM 153 OG1 THR A 197 4.343 17.682 7.190 1.00 0.00 O ATOM 154 CG2 THR A 197 4.909 17.379 4.878 1.00 0.00 C ATOM 0 H THR A 197 7.128 18.443 7.608 1.00 0.00 H new ATOM 0 HA THR A 197 6.037 19.888 5.311 1.00 0.00 H new ATOM 0 HB THR A 197 3.842 19.027 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.393 17.809 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.036 16.735 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.077 17.914 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.783 16.771 5.110 1.00 0.00 H new ATOM 162 N TYR A 198 4.478 21.191 7.062 1.00 0.00 N ATOM 163 CA TYR A 198 4.137 22.375 7.850 1.00 0.00 C ATOM 164 C TYR A 198 2.638 22.472 8.172 1.00 0.00 C ATOM 165 O TYR A 198 2.270 22.060 9.268 1.00 0.00 O ATOM 166 CB TYR A 198 4.672 23.611 7.124 1.00 0.00 C ATOM 167 CG TYR A 198 6.185 23.629 6.976 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.993 24.034 8.057 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.786 23.212 5.771 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.394 24.028 7.938 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.187 23.191 5.649 1.00 0.00 C ATOM 172 CZ TYR A 198 8.997 23.604 6.732 1.00 0.00 C ATOM 173 OH TYR A 198 10.355 23.587 6.618 1.00 0.00 O ATOM 0 H TYR A 198 3.847 21.035 6.276 1.00 0.00 H new ATOM 0 HA TYR A 198 4.615 22.300 8.827 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.219 23.664 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.359 24.503 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.534 24.351 8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.169 22.908 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.008 24.347 8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.644 22.860 4.728 1.00 0.00 H new ATOM 0 HH TYR A 198 10.604 23.268 5.725 1.00 0.00 H new ATOM 183 N CYS A 199 1.791 23.011 7.268 1.00 0.00 N ATOM 184 CA CYS A 199 0.358 23.244 7.492 1.00 0.00 C ATOM 185 C CYS A 199 -0.416 21.991 7.916 1.00 0.00 C ATOM 186 O CYS A 199 0.081 20.868 7.833 1.00 0.00 O ATOM 187 CB CYS A 199 -0.323 24.000 6.319 1.00 0.00 C ATOM 188 SG CYS A 199 -1.751 24.949 6.947 1.00 0.00 S ATOM 0 H CYS A 199 2.099 23.302 6.340 1.00 0.00 H new ATOM 0 HA CYS A 199 0.314 23.911 8.353 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.391 24.671 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.651 23.292 5.558 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.547 25.238 5.961 1.00 0.00 H new ATOM 193 N LEU A 200 -1.673 22.206 8.325 1.00 0.00 N ATOM 194 CA LEU A 200 -2.658 21.146 8.562 1.00 0.00 C ATOM 195 C LEU A 200 -2.912 20.284 7.312 1.00 0.00 C ATOM 196 O LEU A 200 -3.487 19.202 7.407 1.00 0.00 O ATOM 197 CB LEU A 200 -3.950 21.752 9.144 1.00 0.00 C ATOM 198 CG LEU A 200 -4.738 22.623 8.141 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.836 21.842 7.402 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.392 23.818 8.847 1.00 0.00 C ATOM 0 H LEU A 200 -2.040 23.141 8.504 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.247 20.457 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.594 20.945 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.696 22.357 10.015 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.005 22.964 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.354 22.508 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.386 21.020 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.548 21.443 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.941 24.415 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.080 23.457 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.621 24.432 9.313 1.00 0.00 H new ATOM 212 N CYS A 201 -2.457 20.775 6.153 1.00 0.00 N ATOM 213 CA CYS A 201 -2.462 20.112 4.859 1.00 0.00 C ATOM 214 C CYS A 201 -1.374 19.036 4.735 1.00 0.00 C ATOM 215 O CYS A 201 -1.496 18.137 3.905 1.00 0.00 O ATOM 216 CB CYS A 201 -2.138 21.189 3.830 1.00 0.00 C ATOM 217 SG CYS A 201 -3.372 22.516 3.807 1.00 0.00 S ATOM 0 H CYS A 201 -2.050 21.709 6.099 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.429 19.629 4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.157 21.612 4.048 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.077 20.736 2.841 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.825 23.624 4.210 1.00 0.00 H new ATOM 223 N HIS A 202 -0.310 19.164 5.540 1.00 0.00 N ATOM 224 CA HIS A 202 0.924 18.391 5.506 1.00 0.00 C ATOM 225 C HIS A 202 1.566 18.389 4.116 1.00 0.00 C ATOM 226 O HIS A 202 1.615 17.370 3.429 1.00 0.00 O ATOM 227 CB HIS A 202 0.741 17.021 6.169 1.00 0.00 C ATOM 228 CG HIS A 202 0.430 17.171 7.637 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.337 17.483 8.625 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.810 17.152 8.219 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.653 17.640 9.772 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.662 17.447 9.578 1.00 0.00 N ATOM 0 H HIS A 202 -0.296 19.863 6.283 1.00 0.00 H new ATOM 0 HA HIS A 202 1.672 18.889 6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.066 16.479 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.647 16.428 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.742 16.945 7.715 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.101 17.888 10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.401 17.504 10.278 1.00 0.00 H new ATOM 240 N GLN A 203 2.072 19.573 3.743 1.00 0.00 N ATOM 241 CA GLN A 203 2.862 19.829 2.550 1.00 0.00 C ATOM 242 C GLN A 203 4.201 20.500 2.898 1.00 0.00 C ATOM 243 O GLN A 203 4.355 21.081 3.973 1.00 0.00 O ATOM 244 CB GLN A 203 2.028 20.621 1.521 1.00 0.00 C ATOM 245 CG GLN A 203 1.969 22.153 1.687 1.00 0.00 C ATOM 246 CD GLN A 203 1.264 22.660 2.945 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.930 22.636 4.095 1.00 0.00 O flip ATOM 248 NE2 GLN A 203 0.136 23.144 2.882 1.00 0.00 N flip ATOM 0 H GLN A 203 1.929 20.415 4.300 1.00 0.00 H new ATOM 0 HA GLN A 203 3.124 18.879 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.423 20.404 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.007 20.239 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.988 22.539 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.466 22.575 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -0.365 23.156 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.299 23.533 3.718 1.00 0.00 H new ATOM 257 N VAL A 204 5.161 20.420 1.968 1.00 0.00 N ATOM 258 CA VAL A 204 6.521 20.964 2.090 1.00 0.00 C ATOM 259 C VAL A 204 6.500 22.510 2.071 1.00 0.00 C ATOM 260 O VAL A 204 5.438 23.129 1.999 1.00 0.00 O ATOM 261 CB VAL A 204 7.450 20.372 0.985 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.910 20.243 1.463 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.034 18.970 0.492 1.00 0.00 C ATOM 0 H VAL A 204 5.006 19.956 1.073 1.00 0.00 H new ATOM 0 HA VAL A 204 6.933 20.664 3.054 1.00 0.00 H new ATOM 0 HB VAL A 204 7.354 21.088 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.520 19.827 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.292 21.227 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.952 19.584 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.731 18.632 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.048 18.271 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.029 19.015 0.073 1.00 0.00 H new ATOM 273 N SER A 205 7.688 23.125 2.148 1.00 0.00 N ATOM 274 CA SER A 205 7.952 24.567 2.115 1.00 0.00 C ATOM 275 C SER A 205 7.159 25.316 1.032 1.00 0.00 C ATOM 276 O SER A 205 6.856 24.779 -0.034 1.00 0.00 O ATOM 277 CB SER A 205 9.461 24.814 1.985 1.00 0.00 C ATOM 278 OG SER A 205 9.974 24.264 0.789 1.00 0.00 O ATOM 0 H SER A 205 8.550 22.588 2.242 1.00 0.00 H new ATOM 0 HA SER A 205 7.598 24.980 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.659 25.886 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.977 24.376 2.839 1.00 0.00 H new ATOM 0 HG SER A 205 10.937 24.439 0.735 1.00 0.00 H new ATOM 284 N TYR A 206 6.826 26.577 1.341 1.00 0.00 N ATOM 285 CA TYR A 206 5.858 27.386 0.605 1.00 0.00 C ATOM 286 C TYR A 206 6.154 28.890 0.718 1.00 0.00 C ATOM 287 O TYR A 206 6.993 29.317 1.512 1.00 0.00 O ATOM 288 CB TYR A 206 4.444 27.042 1.117 1.00 0.00 C ATOM 289 CG TYR A 206 4.216 27.162 2.619 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.759 26.201 3.498 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.432 28.208 3.145 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.573 26.308 4.883 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.164 28.257 4.524 1.00 0.00 C ATOM 294 CZ TYR A 206 3.738 27.314 5.398 1.00 0.00 C ATOM 295 OH TYR A 206 3.516 27.390 6.737 1.00 0.00 O ATOM 0 H TYR A 206 7.237 27.072 2.133 1.00 0.00 H new ATOM 0 HA TYR A 206 5.930 27.151 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.730 27.692 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.212 26.020 0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.325 25.373 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.038 28.971 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.069 25.620 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.513 29.024 4.916 1.00 0.00 H new ATOM 0 HH TYR A 206 3.095 28.249 6.951 1.00 0.00 H new ATOM 305 N GLY A 207 5.455 29.681 -0.111 1.00 0.00 N ATOM 306 CA GLY A 207 5.730 31.095 -0.342 1.00 0.00 C ATOM 307 C GLY A 207 5.431 32.008 0.848 1.00 0.00 C ATOM 308 O GLY A 207 6.320 32.753 1.260 1.00 0.00 O ATOM 0 H GLY A 207 4.661 29.338 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.780 31.207 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.142 31.430 -1.196 1.00 0.00 H new ATOM 312 N GLU A 208 4.213 31.945 1.407 1.00 0.00 N ATOM 313 CA GLU A 208 3.743 32.870 2.431 1.00 0.00 C ATOM 314 C GLU A 208 3.274 32.088 3.655 1.00 0.00 C ATOM 315 O GLU A 208 2.444 31.187 3.541 1.00 0.00 O ATOM 316 CB GLU A 208 2.681 33.795 1.821 1.00 0.00 C ATOM 317 CG GLU A 208 1.225 33.290 1.752 1.00 0.00 C ATOM 318 CD GLU A 208 0.984 31.982 0.989 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.660 31.757 -0.040 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.099 31.226 1.449 1.00 0.00 O ATOM 0 H GLU A 208 3.523 31.238 1.152 1.00 0.00 H new ATOM 0 HA GLU A 208 4.546 33.516 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.684 34.725 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.996 34.040 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 208 0.861 33.161 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.616 34.069 1.292 1.00 0.00 H new ATOM 327 N MET A 209 3.827 32.425 4.828 1.00 0.00 N ATOM 328 CA MET A 209 3.686 31.583 6.014 1.00 0.00 C ATOM 329 C MET A 209 3.524 32.379 7.306 1.00 0.00 C ATOM 330 O MET A 209 4.171 33.408 7.507 1.00 0.00 O ATOM 331 CB MET A 209 4.924 30.665 6.182 1.00 0.00 C ATOM 332 CG MET A 209 5.719 30.280 4.920 1.00 0.00 C ATOM 333 SD MET A 209 6.847 28.847 5.004 1.00 0.00 S ATOM 334 CE MET A 209 7.097 28.557 6.779 1.00 0.00 C ATOM 0 H MET A 209 4.374 33.273 4.977 1.00 0.00 H new ATOM 0 HA MET A 209 2.779 31.002 5.849 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.611 31.155 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.593 29.744 6.662 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.002 30.091 4.121 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.307 31.148 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.921 27.857 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.333 29.500 7.272 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.188 28.139 7.211 1.00 0.00 H new ATOM 344 N ILE A 210 2.721 31.807 8.212 1.00 0.00 N ATOM 345 CA ILE A 210 2.504 32.279 9.579 1.00 0.00 C ATOM 346 C ILE A 210 2.564 31.095 10.548 1.00 0.00 C ATOM 347 O ILE A 210 2.229 29.972 10.183 1.00 0.00 O ATOM 348 CB ILE A 210 1.171 33.052 9.666 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.033 33.765 11.026 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.053 32.167 9.341 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.095 34.797 11.041 1.00 0.00 C ATOM 0 H ILE A 210 2.183 30.967 8.000 1.00 0.00 H new ATOM 0 HA ILE A 210 3.293 32.974 9.866 1.00 0.00 H new ATOM 0 HB ILE A 210 1.194 33.820 8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.851 33.023 11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.974 34.258 11.270 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.963 32.762 9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.040 31.775 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.101 31.339 10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.145 35.267 12.023 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.098 35.558 10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.043 34.303 10.826 1.00 0.00 H new ATOM 363 N GLY A 211 2.984 31.367 11.787 1.00 0.00 N ATOM 364 CA GLY A 211 3.277 30.361 12.799 1.00 0.00 C ATOM 365 C GLY A 211 2.563 30.634 14.121 1.00 0.00 C ATOM 366 O GLY A 211 2.459 31.777 14.565 1.00 0.00 O ATOM 0 H GLY A 211 3.132 32.320 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.982 29.380 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.353 30.327 12.971 1.00 0.00 H new ATOM 370 N CYS A 212 2.056 29.549 14.720 1.00 0.00 N ATOM 371 CA CYS A 212 1.130 29.562 15.854 1.00 0.00 C ATOM 372 C CYS A 212 1.849 29.915 17.154 1.00 0.00 C ATOM 373 O CYS A 212 2.819 29.260 17.532 1.00 0.00 O ATOM 374 CB CYS A 212 0.388 28.219 15.951 1.00 0.00 C ATOM 375 SG CYS A 212 -0.150 27.585 14.387 1.00 0.00 S ATOM 0 H CYS A 212 2.290 28.604 14.415 1.00 0.00 H new ATOM 0 HA CYS A 212 0.387 30.342 15.686 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.042 27.486 16.424 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.478 28.339 16.601 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.617 28.558 13.662 1.00 0.00 H new ATOM 380 N ASP A 213 1.329 30.942 17.838 1.00 0.00 N ATOM 381 CA ASP A 213 1.869 31.496 19.078 1.00 0.00 C ATOM 382 C ASP A 213 1.707 30.557 20.292 1.00 0.00 C ATOM 383 O ASP A 213 2.188 30.874 21.379 1.00 0.00 O ATOM 384 CB ASP A 213 1.190 32.857 19.308 1.00 0.00 C ATOM 385 CG ASP A 213 1.761 33.634 20.494 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.862 34.202 20.325 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.067 33.679 21.534 1.00 0.00 O ATOM 0 H ASP A 213 0.487 31.426 17.527 1.00 0.00 H new ATOM 0 HA ASP A 213 2.947 31.617 18.975 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.291 33.461 18.406 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.123 32.699 19.468 1.00 0.00 H new ATOM 392 N ASN A 214 1.039 29.404 20.129 1.00 0.00 N ATOM 393 CA ASN A 214 0.738 28.495 21.227 1.00 0.00 C ATOM 394 C ASN A 214 2.023 27.848 21.772 1.00 0.00 C ATOM 395 O ASN A 214 2.895 27.489 20.979 1.00 0.00 O ATOM 396 CB ASN A 214 -0.127 27.316 20.758 1.00 0.00 C ATOM 397 CG ASN A 214 -1.427 27.595 20.014 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.517 28.421 19.106 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.421 26.758 20.283 1.00 0.00 N ATOM 0 H ASN A 214 0.694 29.082 19.225 1.00 0.00 H new ATOM 0 HA ASN A 214 0.228 29.097 21.979 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.492 26.692 20.114 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.374 26.721 21.637 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.279 26.792 19.733 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.327 26.081 21.040 1.00 0.00 H new ATOM 406 N PRO A 215 2.107 27.583 23.089 1.00 0.00 N ATOM 407 CA PRO A 215 3.138 26.725 23.664 1.00 0.00 C ATOM 408 C PRO A 215 2.777 25.227 23.504 1.00 0.00 C ATOM 409 O PRO A 215 3.467 24.381 24.072 1.00 0.00 O ATOM 410 CB PRO A 215 3.211 27.156 25.133 1.00 0.00 C ATOM 411 CG PRO A 215 1.770 27.540 25.458 1.00 0.00 C ATOM 412 CD PRO A 215 1.236 28.100 24.137 1.00 0.00 C ATOM 0 HA PRO A 215 4.102 26.831 23.166 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.566 26.348 25.772 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.892 27.995 25.273 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.191 26.678 25.790 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.724 28.282 26.255 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.204 27.790 23.973 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.244 29.190 24.146 1.00 0.00 H new ATOM 420 N ASP A 216 1.712 24.899 22.743 1.00 0.00 N ATOM 421 CA ASP A 216 1.105 23.565 22.667 1.00 0.00 C ATOM 422 C ASP A 216 0.808 23.085 21.237 1.00 0.00 C ATOM 423 O ASP A 216 0.521 21.902 21.053 1.00 0.00 O ATOM 424 CB ASP A 216 -0.224 23.558 23.447 1.00 0.00 C ATOM 425 CG ASP A 216 -0.148 24.191 24.836 1.00 0.00 C ATOM 426 OD1 ASP A 216 0.565 23.625 25.693 1.00 0.00 O ATOM 427 OD2 ASP A 216 -0.817 25.232 25.015 1.00 0.00 O ATOM 0 H ASP A 216 1.240 25.580 22.148 1.00 0.00 H new ATOM 0 HA ASP A 216 1.842 22.885 23.094 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -0.977 24.086 22.862 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.565 22.528 23.549 1.00 0.00 H new ATOM 432 N CYS A 217 0.841 23.977 20.234 1.00 0.00 N ATOM 433 CA CYS A 217 0.500 23.656 18.855 1.00 0.00 C ATOM 434 C CYS A 217 1.502 22.662 18.268 1.00 0.00 C ATOM 435 O CYS A 217 2.715 22.812 18.404 1.00 0.00 O ATOM 436 CB CYS A 217 0.365 24.929 18.012 1.00 0.00 C ATOM 437 SG CYS A 217 -0.277 24.543 16.361 1.00 0.00 S ATOM 0 H CYS A 217 1.110 24.952 20.369 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.475 23.169 18.839 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.302 25.632 18.511 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.336 25.417 17.925 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.269 25.618 15.630 1.00 0.00 H new ATOM 443 N SER A 218 0.937 21.656 17.598 1.00 0.00 N ATOM 444 CA SER A 218 1.633 20.495 17.043 1.00 0.00 C ATOM 445 C SER A 218 1.731 20.555 15.512 1.00 0.00 C ATOM 446 O SER A 218 2.160 19.587 14.887 1.00 0.00 O ATOM 447 CB SER A 218 0.930 19.215 17.519 1.00 0.00 C ATOM 448 OG SER A 218 -0.372 19.117 16.973 1.00 0.00 O ATOM 0 H SER A 218 -0.067 21.628 17.419 1.00 0.00 H new ATOM 0 HA SER A 218 2.660 20.496 17.407 1.00 0.00 H new ATOM 0 HB2 SER A 218 1.517 18.344 17.227 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.873 19.211 18.607 1.00 0.00 H new ATOM 0 HG SER A 218 -0.798 18.293 17.289 1.00 0.00 H new ATOM 454 N ILE A 219 1.336 21.694 14.926 1.00 0.00 N ATOM 455 CA ILE A 219 1.399 21.986 13.497 1.00 0.00 C ATOM 456 C ILE A 219 2.313 23.206 13.283 1.00 0.00 C ATOM 457 O ILE A 219 3.152 23.165 12.387 1.00 0.00 O ATOM 458 CB ILE A 219 -0.030 22.196 12.933 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.015 21.039 13.230 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.008 22.480 11.419 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.666 19.683 12.602 1.00 0.00 C ATOM 0 H ILE A 219 0.947 22.468 15.464 1.00 0.00 H new ATOM 0 HA ILE A 219 1.827 21.147 12.948 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.405 23.069 13.467 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.080 20.911 14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.006 21.333 12.884 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.028 22.622 11.061 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.573 23.382 11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.446 21.638 10.897 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.424 18.949 12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.633 19.782 11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.307 19.353 12.966 1.00 0.00 H new ATOM 473 N GLU A 220 2.187 24.216 14.167 1.00 0.00 N ATOM 474 CA GLU A 220 2.994 25.430 14.383 1.00 0.00 C ATOM 475 C GLU A 220 3.384 26.315 13.177 1.00 0.00 C ATOM 476 O GLU A 220 3.876 27.416 13.411 1.00 0.00 O ATOM 477 CB GLU A 220 4.218 25.108 15.263 1.00 0.00 C ATOM 478 CG GLU A 220 5.286 24.254 14.559 1.00 0.00 C ATOM 479 CD GLU A 220 6.599 24.244 15.340 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.664 23.500 16.342 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.516 24.984 14.922 1.00 0.00 O ATOM 0 H GLU A 220 1.414 24.194 14.833 1.00 0.00 H new ATOM 0 HA GLU A 220 2.285 26.085 14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.673 26.043 15.591 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.882 24.585 16.159 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.921 23.233 14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.461 24.643 13.556 1.00 0.00 H new ATOM 488 N TRP A 221 3.143 25.901 11.927 1.00 0.00 N ATOM 489 CA TRP A 221 3.290 26.679 10.710 1.00 0.00 C ATOM 490 C TRP A 221 2.156 26.348 9.752 1.00 0.00 C ATOM 491 O TRP A 221 1.778 25.190 9.600 1.00 0.00 O ATOM 492 CB TRP A 221 4.577 26.298 10.010 1.00 0.00 C ATOM 493 CG TRP A 221 5.807 26.957 10.503 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.798 26.363 11.197 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.213 28.340 10.303 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.815 27.266 11.396 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.531 28.489 10.817 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.614 29.472 9.707 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.247 29.683 10.671 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.302 30.696 9.621 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.627 30.797 10.081 1.00 0.00 C ATOM 0 H TRP A 221 2.820 24.952 11.736 1.00 0.00 H new ATOM 0 HA TRP A 221 3.286 27.736 10.977 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.708 25.219 10.096 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.470 26.522 8.949 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.794 25.340 11.542 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.673 27.059 11.907 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.612 29.397 9.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.270 29.747 11.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.811 31.561 9.200 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.166 31.728 9.981 1.00 0.00 H new ATOM 512 N PHE A 222 1.616 27.398 9.132 1.00 0.00 N ATOM 513 CA PHE A 222 0.391 27.382 8.337 1.00 0.00 C ATOM 514 C PHE A 222 0.519 28.364 7.175 1.00 0.00 C ATOM 515 O PHE A 222 1.285 29.326 7.244 1.00 0.00 O ATOM 516 CB PHE A 222 -0.831 27.803 9.186 1.00 0.00 C ATOM 517 CG PHE A 222 -1.284 26.841 10.273 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.413 26.523 11.325 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.590 26.306 10.289 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.779 25.600 12.302 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.010 25.504 11.371 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.101 25.181 12.393 1.00 0.00 C ATOM 0 H PHE A 222 2.041 28.324 9.173 1.00 0.00 H new ATOM 0 HA PHE A 222 0.246 26.365 7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.603 28.760 9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.670 27.970 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.554 27.000 11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.268 26.511 9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.039 25.212 12.986 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.026 25.140 11.414 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.429 24.608 13.248 1.00 0.00 H new ATOM 532 N HIS A 223 -0.270 28.136 6.118 1.00 0.00 N ATOM 533 CA HIS A 223 -0.444 29.127 5.059 1.00 0.00 C ATOM 534 C HIS A 223 -1.330 30.257 5.568 1.00 0.00 C ATOM 535 O HIS A 223 -2.236 30.039 6.375 1.00 0.00 O ATOM 536 CB HIS A 223 -1.068 28.504 3.798 1.00 0.00 C ATOM 537 CG HIS A 223 -0.157 27.612 2.989 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.219 27.863 1.701 1.00 0.00 N flip ATOM 539 CD2 HIS A 223 0.422 26.407 3.411 1.00 0.00 C flip ATOM 540 CE1 HIS A 223 1.050 26.840 1.327 1.00 0.00 C flip ATOM 541 NE2 HIS A 223 1.178 26.007 2.372 1.00 0.00 N flip ATOM 0 H HIS A 223 -0.796 27.274 5.977 1.00 0.00 H new ATOM 0 HA HIS A 223 0.538 29.514 4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.942 27.925 4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.423 29.309 3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 223 -0.064 28.658 1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.290 25.909 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.520 26.724 0.361 1.00 0.00 H new ATOM 549 N PHE A 224 -1.078 31.461 5.042 1.00 0.00 N ATOM 550 CA PHE A 224 -1.992 32.593 5.200 1.00 0.00 C ATOM 551 C PHE A 224 -3.399 32.180 4.787 1.00 0.00 C ATOM 552 O PHE A 224 -4.330 32.310 5.570 1.00 0.00 O ATOM 553 CB PHE A 224 -1.543 33.788 4.340 1.00 0.00 C ATOM 554 CG PHE A 224 -0.316 34.574 4.757 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.402 34.288 5.936 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.140 35.593 3.896 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.607 34.957 6.194 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.360 36.241 4.146 1.00 0.00 C ATOM 559 CZ PHE A 224 2.118 35.879 5.270 1.00 0.00 C ATOM 0 H PHE A 224 -0.241 31.675 4.499 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.984 32.893 6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.369 33.419 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.378 34.486 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.026 33.557 6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.453 35.877 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.145 34.761 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.713 37.013 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.096 36.311 5.423 1.00 0.00 H new ATOM 569 N ALA A 225 -3.538 31.613 3.592 1.00 0.00 N ATOM 570 CA ALA A 225 -4.818 31.223 3.038 1.00 0.00 C ATOM 571 C ALA A 225 -5.445 30.010 3.743 1.00 0.00 C ATOM 572 O ALA A 225 -6.639 29.779 3.553 1.00 0.00 O ATOM 573 CB ALA A 225 -4.650 30.960 1.538 1.00 0.00 C ATOM 0 H ALA A 225 -2.749 31.411 2.977 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.514 32.046 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.608 30.665 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.297 31.867 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.925 30.160 1.388 1.00 0.00 H new ATOM 579 N CYS A 226 -4.695 29.255 4.571 1.00 0.00 N ATOM 580 CA CYS A 226 -5.244 28.183 5.373 1.00 0.00 C ATOM 581 C CYS A 226 -5.987 28.698 6.621 1.00 0.00 C ATOM 582 O CYS A 226 -6.712 27.918 7.235 1.00 0.00 O ATOM 583 CB CYS A 226 -4.085 27.267 5.749 1.00 0.00 C ATOM 584 SG CYS A 226 -3.854 25.988 4.477 1.00 0.00 S ATOM 0 H CYS A 226 -3.690 29.385 4.691 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.996 27.641 4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.171 27.851 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.280 26.799 6.714 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.589 25.874 4.201 1.00 0.00 H new ATOM 590 N VAL A 227 -5.858 29.994 6.954 1.00 0.00 N ATOM 591 CA VAL A 227 -6.633 30.697 7.982 1.00 0.00 C ATOM 592 C VAL A 227 -7.503 31.813 7.388 1.00 0.00 C ATOM 593 O VAL A 227 -8.449 32.272 8.027 1.00 0.00 O ATOM 594 CB VAL A 227 -5.689 31.197 9.098 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.715 32.302 8.671 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.452 31.654 10.354 1.00 0.00 C ATOM 0 H VAL A 227 -5.182 30.602 6.493 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.336 29.995 8.431 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.090 30.317 9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.094 32.588 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.080 31.936 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.278 33.169 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.742 31.996 11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.126 32.470 10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.030 30.820 10.752 1.00 0.00 H new ATOM 606 N GLY A 228 -7.189 32.205 6.151 1.00 0.00 N ATOM 607 CA GLY A 228 -7.898 33.211 5.370 1.00 0.00 C ATOM 608 C GLY A 228 -7.186 34.567 5.335 1.00 0.00 C ATOM 609 O GLY A 228 -7.820 35.556 4.967 1.00 0.00 O ATOM 0 H GLY A 228 -6.396 31.809 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -8.022 32.848 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.897 33.344 5.784 1.00 0.00 H new ATOM 613 N LEU A 229 -5.902 34.635 5.726 1.00 0.00 N ATOM 614 CA LEU A 229 -5.105 35.851 5.653 1.00 0.00 C ATOM 615 C LEU A 229 -4.732 36.176 4.199 1.00 0.00 C ATOM 616 O LEU A 229 -4.721 35.305 3.327 1.00 0.00 O ATOM 617 CB LEU A 229 -3.840 35.717 6.525 1.00 0.00 C ATOM 618 CG LEU A 229 -4.058 35.982 8.028 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.807 35.544 8.803 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.333 37.464 8.325 1.00 0.00 C ATOM 0 H LEU A 229 -5.393 33.836 6.103 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.704 36.676 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.437 34.712 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.085 36.411 6.154 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.933 35.411 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.955 35.729 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.632 34.480 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.945 36.111 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.480 37.599 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.485 38.064 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.230 37.781 7.793 1.00 0.00 H new ATOM 632 N THR A 230 -4.378 37.447 3.978 1.00 0.00 N ATOM 633 CA THR A 230 -3.924 38.002 2.698 1.00 0.00 C ATOM 634 C THR A 230 -2.641 38.835 2.865 1.00 0.00 C ATOM 635 O THR A 230 -2.033 39.224 1.868 1.00 0.00 O ATOM 636 CB THR A 230 -5.037 38.857 2.058 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.400 39.921 2.918 1.00 0.00 O ATOM 638 CG2 THR A 230 -6.292 38.042 1.719 1.00 0.00 C ATOM 0 H THR A 230 -4.401 38.148 4.719 1.00 0.00 H new ATOM 0 HA THR A 230 -3.694 37.166 2.038 1.00 0.00 H new ATOM 0 HB THR A 230 -4.627 39.245 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.106 40.455 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 230 -7.041 38.696 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 230 -6.033 37.251 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 230 -6.695 37.599 2.630 1.00 0.00 H new ATOM 646 N THR A 231 -2.219 39.078 4.115 1.00 0.00 N ATOM 647 CA THR A 231 -1.007 39.792 4.511 1.00 0.00 C ATOM 648 C THR A 231 -0.445 39.143 5.783 1.00 0.00 C ATOM 649 O THR A 231 -1.138 38.374 6.455 1.00 0.00 O ATOM 650 CB THR A 231 -1.300 41.287 4.773 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.271 41.438 5.790 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.769 42.044 3.525 1.00 0.00 C ATOM 0 H THR A 231 -2.753 38.759 4.924 1.00 0.00 H new ATOM 0 HA THR A 231 -0.280 39.730 3.701 1.00 0.00 H new ATOM 0 HB THR A 231 -0.350 41.721 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.441 42.391 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.956 43.087 3.781 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.998 41.992 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.687 41.592 3.149 1.00 0.00 H new ATOM 660 N LYS A 232 0.807 39.476 6.131 1.00 0.00 N ATOM 661 CA LYS A 232 1.431 39.015 7.366 1.00 0.00 C ATOM 662 C LYS A 232 1.151 40.028 8.493 1.00 0.00 C ATOM 663 O LYS A 232 1.552 41.186 8.364 1.00 0.00 O ATOM 664 CB LYS A 232 2.945 38.837 7.163 1.00 0.00 C ATOM 665 CG LYS A 232 3.506 37.871 8.222 1.00 0.00 C ATOM 666 CD LYS A 232 5.033 37.747 8.182 1.00 0.00 C ATOM 667 CE LYS A 232 5.703 39.035 8.668 1.00 0.00 C ATOM 668 NZ LYS A 232 7.170 38.897 8.708 1.00 0.00 N ATOM 0 H LYS A 232 1.408 40.071 5.561 1.00 0.00 H new ATOM 0 HA LYS A 232 1.009 38.049 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.144 38.450 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.446 39.802 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.202 38.212 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.064 36.885 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.350 36.911 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.357 37.526 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.432 39.859 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.333 39.287 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 7.593 39.787 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.429 38.126 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.524 38.681 7.754 1.00 0.00 H new ATOM 682 N PRO A 233 0.506 39.624 9.606 1.00 0.00 N ATOM 683 CA PRO A 233 0.385 40.441 10.811 1.00 0.00 C ATOM 684 C PRO A 233 1.711 40.456 11.597 1.00 0.00 C ATOM 685 O PRO A 233 2.678 39.787 11.225 1.00 0.00 O ATOM 686 CB PRO A 233 -0.748 39.782 11.608 1.00 0.00 C ATOM 687 CG PRO A 233 -0.579 38.302 11.277 1.00 0.00 C ATOM 688 CD PRO A 233 -0.119 38.327 9.820 1.00 0.00 C ATOM 0 HA PRO A 233 0.167 41.486 10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.653 39.971 12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.726 40.155 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.157 37.825 11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.513 37.752 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.586 37.519 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.963 38.187 9.144 1.00 0.00 H new ATOM 696 N ARG A 234 1.739 41.191 12.717 1.00 0.00 N ATOM 697 CA ARG A 234 2.825 41.157 13.684 1.00 0.00 C ATOM 698 C ARG A 234 2.228 41.252 15.086 1.00 0.00 C ATOM 699 O ARG A 234 1.354 42.073 15.362 1.00 0.00 O ATOM 700 CB ARG A 234 3.818 42.286 13.397 1.00 0.00 C ATOM 701 CG ARG A 234 5.155 42.073 14.121 1.00 0.00 C ATOM 702 CD ARG A 234 6.174 43.133 13.691 1.00 0.00 C ATOM 703 NE ARG A 234 7.496 42.873 14.280 1.00 0.00 N ATOM 704 CZ ARG A 234 8.647 43.447 13.897 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.687 44.362 12.926 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.785 43.097 14.498 1.00 0.00 N ATOM 0 H ARG A 234 0.990 41.835 12.973 1.00 0.00 H new ATOM 0 HA ARG A 234 3.380 40.222 13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.993 42.350 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.385 43.237 13.707 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.003 42.123 15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.541 41.078 13.899 1.00 0.00 H new ATOM 0 HD2 ARG A 234 6.254 43.144 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 234 5.826 44.120 13.995 1.00 0.00 H new ATOM 0 HE ARG A 234 7.542 42.199 15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.828 44.642 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 234 9.577 44.781 12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.775 42.399 15.242 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.665 43.527 14.214 1.00 0.00 H new ATOM 720 N GLY A 235 2.716 40.353 15.936 1.00 0.00 N ATOM 721 CA GLY A 235 2.187 40.048 17.260 1.00 0.00 C ATOM 722 C GLY A 235 1.788 38.571 17.342 1.00 0.00 C ATOM 723 O GLY A 235 2.075 37.788 16.434 1.00 0.00 O ATOM 0 H GLY A 235 3.534 39.789 15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.936 40.273 18.020 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.322 40.678 17.468 1.00 0.00 H new ATOM 727 N LYS A 236 1.113 38.191 18.435 1.00 0.00 N ATOM 728 CA LYS A 236 0.562 36.861 18.613 1.00 0.00 C ATOM 729 C LYS A 236 -0.612 36.627 17.663 1.00 0.00 C ATOM 730 O LYS A 236 -1.411 37.518 17.374 1.00 0.00 O ATOM 731 CB LYS A 236 0.199 36.611 20.089 1.00 0.00 C ATOM 732 CG LYS A 236 -0.920 37.464 20.719 1.00 0.00 C ATOM 733 CD LYS A 236 -2.346 36.908 20.563 1.00 0.00 C ATOM 734 CE LYS A 236 -2.519 35.561 21.275 1.00 0.00 C ATOM 735 NZ LYS A 236 -3.911 35.090 21.191 1.00 0.00 N ATOM 0 H LYS A 236 0.938 38.813 19.224 1.00 0.00 H new ATOM 0 HA LYS A 236 1.324 36.127 18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.085 35.563 20.189 1.00 0.00 H new ATOM 0 HB3 LYS A 236 1.102 36.755 20.683 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.709 37.581 21.782 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -0.887 38.459 20.276 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.061 37.625 20.966 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.575 36.790 19.504 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.855 34.822 20.827 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.228 35.659 22.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -3.942 34.065 21.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -4.487 35.580 21.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -4.289 35.292 20.244 1.00 0.00 H new ATOM 749 N TRP A 237 -0.694 35.378 17.216 1.00 0.00 N ATOM 750 CA TRP A 237 -1.713 34.829 16.343 1.00 0.00 C ATOM 751 C TRP A 237 -1.973 33.372 16.720 1.00 0.00 C ATOM 752 O TRP A 237 -1.039 32.601 16.944 1.00 0.00 O ATOM 753 CB TRP A 237 -1.202 34.923 14.906 1.00 0.00 C ATOM 754 CG TRP A 237 -1.982 34.171 13.875 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.053 34.610 13.190 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.747 32.819 13.397 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.510 33.618 12.339 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.731 32.477 12.425 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.770 31.858 13.698 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.754 31.212 11.807 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.789 30.598 13.083 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.788 30.256 12.175 1.00 0.00 C ATOM 0 H TRP A 237 0.001 34.678 17.475 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.647 35.382 16.441 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.180 35.974 14.619 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.173 34.565 14.885 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.492 35.592 13.289 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.319 33.716 11.726 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.006 32.092 14.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.501 30.979 11.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.016 29.881 13.317 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.822 29.262 11.755 1.00 0.00 H new ATOM 773 N PHE A 238 -3.256 32.995 16.711 1.00 0.00 N ATOM 774 CA PHE A 238 -3.722 31.634 16.936 1.00 0.00 C ATOM 775 C PHE A 238 -4.456 31.139 15.688 1.00 0.00 C ATOM 776 O PHE A 238 -5.309 31.822 15.122 1.00 0.00 O ATOM 777 CB PHE A 238 -4.626 31.569 18.179 1.00 0.00 C ATOM 778 CG PHE A 238 -3.983 31.677 19.559 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.594 31.530 19.772 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.823 31.889 20.672 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.056 31.636 21.066 1.00 0.00 C ATOM 782 CE2 PHE A 238 -4.285 31.983 21.968 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.898 31.872 22.163 1.00 0.00 C ATOM 0 H PHE A 238 -4.017 33.653 16.541 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.867 30.983 17.121 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.363 32.368 18.094 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.172 30.626 18.142 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -1.941 31.335 18.934 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -5.889 31.980 20.528 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -0.991 31.535 21.216 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -4.938 32.141 22.814 1.00 0.00 H new ATOM 0 HZ PHE A 238 -2.481 31.968 23.155 1.00 0.00 H new ATOM 793 N CYS A 239 -4.070 29.926 15.285 1.00 0.00 N ATOM 794 CA CYS A 239 -4.478 29.218 14.078 1.00 0.00 C ATOM 795 C CYS A 239 -5.983 28.879 14.007 1.00 0.00 C ATOM 796 O CYS A 239 -6.705 29.114 14.979 1.00 0.00 O ATOM 797 CB CYS A 239 -3.529 28.018 13.982 1.00 0.00 C ATOM 798 SG CYS A 239 -4.049 26.621 15.009 1.00 0.00 S ATOM 0 H CYS A 239 -3.414 29.375 15.839 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.385 29.851 13.196 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.465 27.694 12.943 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.528 28.329 14.281 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.559 25.519 14.523 1.00 0.00 H new ATOM 804 N PRO A 240 -6.492 28.347 12.872 1.00 0.00 N ATOM 805 CA PRO A 240 -7.926 28.175 12.652 1.00 0.00 C ATOM 806 C PRO A 240 -8.573 27.045 13.466 1.00 0.00 C ATOM 807 O PRO A 240 -9.793 26.899 13.418 1.00 0.00 O ATOM 808 CB PRO A 240 -8.104 27.956 11.145 1.00 0.00 C ATOM 809 CG PRO A 240 -6.781 27.318 10.740 1.00 0.00 C ATOM 810 CD PRO A 240 -5.769 27.989 11.661 1.00 0.00 C ATOM 0 HA PRO A 240 -8.446 29.065 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.951 27.305 10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.279 28.894 10.618 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.797 26.237 10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.552 27.500 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.942 27.315 11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.340 28.873 11.189 1.00 0.00 H new ATOM 818 N ARG A 241 -7.778 26.289 14.234 1.00 0.00 N ATOM 819 CA ARG A 241 -8.226 25.259 15.163 1.00 0.00 C ATOM 820 C ARG A 241 -7.970 25.675 16.622 1.00 0.00 C ATOM 821 O ARG A 241 -8.054 24.844 17.525 1.00 0.00 O ATOM 822 CB ARG A 241 -7.584 23.911 14.793 1.00 0.00 C ATOM 823 CG ARG A 241 -8.000 23.459 13.383 1.00 0.00 C ATOM 824 CD ARG A 241 -7.493 22.050 13.068 1.00 0.00 C ATOM 825 NE ARG A 241 -7.919 21.632 11.724 1.00 0.00 N ATOM 826 CZ ARG A 241 -7.917 20.376 11.254 1.00 0.00 C ATOM 827 NH1 ARG A 241 -7.484 19.350 11.990 1.00 0.00 N ATOM 828 NH2 ARG A 241 -8.361 20.140 10.019 1.00 0.00 N ATOM 0 H ARG A 241 -6.763 26.387 14.220 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.306 25.137 15.078 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.499 23.997 14.844 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.878 23.155 15.521 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.087 23.482 13.299 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.609 24.160 12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.405 22.027 13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.872 21.347 13.810 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.245 22.363 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.142 19.510 12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -7.495 18.406 11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -8.698 20.911 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -8.364 19.189 9.651 1.00 0.00 H new ATOM 842 N CYS A 242 -7.664 26.964 16.848 1.00 0.00 N ATOM 843 CA CYS A 242 -7.275 27.549 18.114 1.00 0.00 C ATOM 844 C CYS A 242 -7.969 28.890 18.401 1.00 0.00 C ATOM 845 O CYS A 242 -7.954 29.329 19.551 1.00 0.00 O ATOM 846 CB CYS A 242 -5.765 27.768 18.057 1.00 0.00 C ATOM 847 SG CYS A 242 -4.880 26.207 18.313 1.00 0.00 S ATOM 0 H CYS A 242 -7.687 27.655 16.098 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.572 26.873 18.915 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.491 28.193 17.092 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.468 28.489 18.819 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.315 25.841 17.201 1.00 0.00 H new ATOM 853 N SER A 243 -8.568 29.537 17.389 1.00 0.00 N ATOM 854 CA SER A 243 -9.303 30.794 17.548 1.00 0.00 C ATOM 855 C SER A 243 -10.424 30.951 16.515 1.00 0.00 C ATOM 856 O SER A 243 -11.523 31.371 16.879 1.00 0.00 O ATOM 857 CB SER A 243 -8.312 31.961 17.449 1.00 0.00 C ATOM 858 OG SER A 243 -8.967 33.201 17.607 1.00 0.00 O ATOM 0 H SER A 243 -8.553 29.195 16.428 1.00 0.00 H new ATOM 0 HA SER A 243 -9.784 30.788 18.526 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.542 31.853 18.213 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.809 31.933 16.483 1.00 0.00 H new ATOM 0 HG SER A 243 -8.312 33.927 17.541 1.00 0.00 H new ATOM 864 N GLN A 244 -10.170 30.586 15.249 1.00 0.00 N ATOM 865 CA GLN A 244 -11.189 30.674 14.191 1.00 0.00 C ATOM 866 C GLN A 244 -12.281 29.601 14.367 1.00 0.00 C ATOM 867 O GLN A 244 -13.410 29.794 13.916 1.00 0.00 O ATOM 868 CB GLN A 244 -10.539 30.562 12.801 1.00 0.00 C ATOM 869 CG GLN A 244 -11.309 31.273 11.678 1.00 0.00 C ATOM 870 CD GLN A 244 -10.988 32.769 11.609 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.401 33.544 12.466 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.240 33.190 10.589 1.00 0.00 N ATOM 0 H GLN A 244 -9.269 30.227 14.933 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.667 31.650 14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.531 30.975 12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.439 29.507 12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.066 30.807 10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.380 31.140 11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -9.910 32.525 9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.998 34.178 10.507 1.00 0.00 H new ATOM 881 N GLU A 245 -11.949 28.503 15.067 1.00 0.00 N ATOM 882 CA GLU A 245 -12.842 27.404 15.441 1.00 0.00 C ATOM 883 C GLU A 245 -13.957 27.826 16.417 1.00 0.00 C ATOM 884 O GLU A 245 -14.861 27.033 16.679 1.00 0.00 O ATOM 885 CB GLU A 245 -11.992 26.266 16.051 1.00 0.00 C ATOM 886 CG GLU A 245 -12.115 24.945 15.279 1.00 0.00 C ATOM 887 CD GLU A 245 -13.518 24.342 15.366 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.801 23.706 16.405 1.00 0.00 O ATOM 889 OE2 GLU A 245 -14.279 24.519 14.390 1.00 0.00 O ATOM 0 H GLU A 245 -10.997 28.355 15.403 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.351 27.067 14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.946 26.572 16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.298 26.106 17.085 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.861 25.115 14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.391 24.230 15.671 1.00 0.00 H new