USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=18 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 -70:sc= -0.988 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.25 K(o=0.37,f=2.5) USER MOD Set 1.3: A 239 CYS SG : rot -86:sc= 0.609 USER MOD Set 1.4: A 242 CYS SG : rot 180:sc= 0.999 USER MOD Set 2.1: A 199 CYS SG : rot -147:sc= -0.0058 USER MOD Set 2.2: A 201 CYS SG : rot 88:sc= -0.101 USER MOD Set 2.3: A 226 CYS SG : rot -126:sc= 0.945 USER MOD Set 3.1: A 206 TYR OH : rot -177:sc= 0.351 USER MOD Set 3.2: A 209 MET CE :methyl -155:sc= -0.25 (180deg=-1.89) USER MOD Set 4.1: A 198 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 205 SER OG : rot -23:sc= 0.0626 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 203 GLN : amide:sc= -2.36 X(o=-2.4,f=-2) USER MOD Single : A 217 CYS SG : rot 120:sc= 0.926 USER MOD Single : A 218 SER OG : rot -47:sc= 0.152 USER MOD Single : A 223 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.4) 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+ 173:sc= 0.0982 (180deg=0.0596) USER MOD Single : A 236 LYS NZ :NH3+ 137:sc= 0.25 (180deg=-0.515) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 10.021 16.640 6.297 1.00 0.00 N ATOM 135 CA PRO A 196 9.475 17.548 7.302 1.00 0.00 C ATOM 136 C PRO A 196 8.282 18.349 6.764 1.00 0.00 C ATOM 137 O PRO A 196 8.119 18.519 5.555 1.00 0.00 O ATOM 138 CB PRO A 196 10.637 18.462 7.707 1.00 0.00 C ATOM 139 CG PRO A 196 11.517 18.486 6.460 1.00 0.00 C ATOM 140 CD PRO A 196 11.357 17.071 5.910 1.00 0.00 C ATOM 0 HA PRO A 196 9.083 16.999 8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.289 19.460 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.174 18.071 8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.185 19.239 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.556 18.712 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.473 17.058 4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.116 16.405 6.320 1.00 0.00 H new ATOM 148 N THR A 197 7.448 18.847 7.687 1.00 0.00 N ATOM 149 CA THR A 197 6.191 19.523 7.395 1.00 0.00 C ATOM 150 C THR A 197 5.945 20.656 8.401 1.00 0.00 C ATOM 151 O THR A 197 6.710 20.844 9.348 1.00 0.00 O ATOM 152 CB THR A 197 5.019 18.517 7.397 1.00 0.00 C ATOM 153 OG1 THR A 197 4.848 17.930 8.670 1.00 0.00 O ATOM 154 CG2 THR A 197 5.154 17.399 6.354 1.00 0.00 C ATOM 0 H THR A 197 7.642 18.785 8.686 1.00 0.00 H new ATOM 0 HA THR A 197 6.256 19.961 6.399 1.00 0.00 H new ATOM 0 HB THR A 197 4.144 19.111 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.098 17.299 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.292 16.735 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.201 17.836 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.065 16.832 6.545 1.00 0.00 H new ATOM 162 N TYR A 198 4.864 21.411 8.167 1.00 0.00 N ATOM 163 CA TYR A 198 4.575 22.669 8.857 1.00 0.00 C ATOM 164 C TYR A 198 3.113 22.783 9.308 1.00 0.00 C ATOM 165 O TYR A 198 2.862 22.528 10.481 1.00 0.00 O ATOM 166 CB TYR A 198 4.997 23.828 7.953 1.00 0.00 C ATOM 167 CG TYR A 198 6.484 23.859 7.643 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.381 24.452 8.551 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.972 23.272 6.459 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.760 24.467 8.279 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.350 23.268 6.187 1.00 0.00 C ATOM 172 CZ TYR A 198 9.250 23.873 7.093 1.00 0.00 C ATOM 173 OH TYR A 198 10.587 23.881 6.824 1.00 0.00 O ATOM 0 H TYR A 198 4.154 21.158 7.480 1.00 0.00 H new ATOM 0 HA TYR A 198 5.152 22.702 9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.442 23.766 7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.716 24.768 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.008 24.898 9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.284 22.823 5.758 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.444 24.931 8.974 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.722 22.803 5.286 1.00 0.00 H new ATOM 0 HH TYR A 198 10.752 23.430 5.970 1.00 0.00 H new ATOM 183 N CYS A 199 2.167 23.163 8.424 1.00 0.00 N ATOM 184 CA CYS A 199 0.750 23.360 8.745 1.00 0.00 C ATOM 185 C CYS A 199 0.094 22.128 9.372 1.00 0.00 C ATOM 186 O CYS A 199 0.631 21.023 9.325 1.00 0.00 O ATOM 187 CB CYS A 199 -0.089 23.919 7.564 1.00 0.00 C ATOM 188 SG CYS A 199 -1.398 24.995 8.239 1.00 0.00 S ATOM 0 H CYS A 199 2.380 23.344 7.443 1.00 0.00 H new ATOM 0 HA CYS A 199 0.753 24.137 9.509 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.547 24.481 6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.528 23.102 6.992 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.456 24.915 7.487 1.00 0.00 H new ATOM 193 N LEU A 200 -1.123 22.334 9.890 1.00 0.00 N ATOM 194 CA LEU A 200 -2.032 21.278 10.350 1.00 0.00 C ATOM 195 C LEU A 200 -2.374 20.257 9.250 1.00 0.00 C ATOM 196 O LEU A 200 -2.932 19.199 9.532 1.00 0.00 O ATOM 197 CB LEU A 200 -3.286 21.912 10.980 1.00 0.00 C ATOM 198 CG LEU A 200 -4.153 22.711 9.981 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.263 21.869 9.331 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.807 23.914 10.673 1.00 0.00 C ATOM 0 H LEU A 200 -1.514 23.269 10.004 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.516 20.699 11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.894 21.125 11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.979 22.574 11.790 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.470 23.037 9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.834 22.490 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.817 21.037 8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.926 21.482 10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.413 24.463 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.441 23.565 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.033 24.570 11.071 1.00 0.00 H new ATOM 212 N CYS A 201 -2.024 20.593 8.003 1.00 0.00 N ATOM 213 CA CYS A 201 -2.164 19.781 6.807 1.00 0.00 C ATOM 214 C CYS A 201 -1.105 18.680 6.696 1.00 0.00 C ATOM 215 O CYS A 201 -1.321 17.700 5.986 1.00 0.00 O ATOM 216 CB CYS A 201 -1.932 20.715 5.627 1.00 0.00 C ATOM 217 SG CYS A 201 -3.154 22.048 5.536 1.00 0.00 S ATOM 0 H CYS A 201 -1.609 21.502 7.798 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.145 19.307 6.832 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.934 21.147 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.960 20.139 4.702 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.753 23.054 6.255 1.00 0.00 H new ATOM 223 N HIS A 202 0.039 18.881 7.362 1.00 0.00 N ATOM 224 CA HIS A 202 1.258 18.094 7.249 1.00 0.00 C ATOM 225 C HIS A 202 1.784 18.098 5.806 1.00 0.00 C ATOM 226 O HIS A 202 1.794 17.067 5.133 1.00 0.00 O ATOM 227 CB HIS A 202 1.095 16.696 7.878 1.00 0.00 C ATOM 228 CG HIS A 202 0.560 16.683 9.294 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.093 15.632 9.896 1.00 0.00 N ATOM 230 CD2 HIS A 202 0.618 17.694 10.219 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.419 16.009 11.145 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.009 17.263 11.392 1.00 0.00 N ATOM 0 H HIS A 202 0.137 19.644 8.032 1.00 0.00 H new ATOM 0 HA HIS A 202 2.041 18.568 7.841 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.426 16.108 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.063 16.196 7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 202 1.072 18.662 10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -0.942 15.385 11.855 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.130 17.792 12.256 1.00 0.00 H new ATOM 240 N GLN A 203 2.218 19.283 5.344 1.00 0.00 N ATOM 241 CA GLN A 203 2.864 19.491 4.053 1.00 0.00 C ATOM 242 C GLN A 203 4.181 20.271 4.180 1.00 0.00 C ATOM 243 O GLN A 203 4.411 20.972 5.166 1.00 0.00 O ATOM 244 CB GLN A 203 1.880 20.113 3.040 1.00 0.00 C ATOM 245 CG GLN A 203 1.777 21.650 3.015 1.00 0.00 C ATOM 246 CD GLN A 203 1.167 22.281 4.262 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.012 22.701 4.248 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.931 22.417 5.341 1.00 0.00 N ATOM 0 H GLN A 203 2.122 20.144 5.882 1.00 0.00 H new ATOM 0 HA GLN A 203 3.147 18.516 3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.164 19.777 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.887 19.711 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.775 22.063 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.182 21.944 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.888 22.063 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.561 22.875 6.174 1.00 0.00 H new ATOM 257 N VAL A 204 5.032 20.139 3.155 1.00 0.00 N ATOM 258 CA VAL A 204 6.383 20.706 3.072 1.00 0.00 C ATOM 259 C VAL A 204 6.336 22.243 2.899 1.00 0.00 C ATOM 260 O VAL A 204 5.266 22.854 2.897 1.00 0.00 O ATOM 261 CB VAL A 204 7.190 20.005 1.934 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.699 19.938 2.243 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.752 18.551 1.647 1.00 0.00 C ATOM 0 H VAL A 204 4.785 19.608 2.320 1.00 0.00 H new ATOM 0 HA VAL A 204 6.903 20.517 4.011 1.00 0.00 H new ATOM 0 HB VAL A 204 6.982 20.630 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.217 19.442 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.091 20.948 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.857 19.377 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.363 18.139 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.880 17.948 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.704 18.539 1.348 1.00 0.00 H new ATOM 273 N SER A 205 7.520 22.857 2.770 1.00 0.00 N ATOM 274 CA SER A 205 7.788 24.289 2.618 1.00 0.00 C ATOM 275 C SER A 205 6.902 24.989 1.576 1.00 0.00 C ATOM 276 O SER A 205 6.449 24.386 0.603 1.00 0.00 O ATOM 277 CB SER A 205 9.267 24.493 2.266 1.00 0.00 C ATOM 278 OG SER A 205 10.110 23.962 3.269 1.00 0.00 O ATOM 0 H SER A 205 8.386 22.317 2.770 1.00 0.00 H new ATOM 0 HA SER A 205 7.545 24.752 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.486 24.013 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.471 25.557 2.142 1.00 0.00 H new ATOM 0 HG SER A 205 9.620 23.914 4.116 1.00 0.00 H new ATOM 284 N TYR A 206 6.680 26.289 1.807 1.00 0.00 N ATOM 285 CA TYR A 206 5.703 27.125 1.112 1.00 0.00 C ATOM 286 C TYR A 206 6.108 28.605 1.175 1.00 0.00 C ATOM 287 O TYR A 206 6.940 28.999 1.994 1.00 0.00 O ATOM 288 CB TYR A 206 4.308 26.908 1.732 1.00 0.00 C ATOM 289 CG TYR A 206 4.210 27.125 3.235 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.755 26.169 4.117 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.548 28.251 3.764 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.694 26.356 5.503 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.404 28.384 5.154 1.00 0.00 C ATOM 294 CZ TYR A 206 3.995 27.455 6.033 1.00 0.00 C ATOM 295 OH TYR A 206 3.880 27.610 7.379 1.00 0.00 O ATOM 0 H TYR A 206 7.201 26.806 2.515 1.00 0.00 H new ATOM 0 HA TYR A 206 5.672 26.838 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.604 27.580 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.986 25.891 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.225 25.282 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.153 29.008 3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.183 25.657 6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.833 29.209 5.555 1.00 0.00 H new ATOM 0 HH TYR A 206 3.327 28.396 7.572 1.00 0.00 H new ATOM 305 N GLY A 207 5.505 29.416 0.294 1.00 0.00 N ATOM 306 CA GLY A 207 5.910 30.795 0.046 1.00 0.00 C ATOM 307 C GLY A 207 5.603 31.763 1.191 1.00 0.00 C ATOM 308 O GLY A 207 6.491 32.522 1.577 1.00 0.00 O ATOM 0 H GLY A 207 4.710 29.121 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.982 30.815 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.412 31.150 -0.856 1.00 0.00 H new ATOM 312 N GLU A 208 4.380 31.729 1.745 1.00 0.00 N ATOM 313 CA GLU A 208 3.890 32.727 2.677 1.00 0.00 C ATOM 314 C GLU A 208 3.350 32.051 3.946 1.00 0.00 C ATOM 315 O GLU A 208 2.452 31.212 3.893 1.00 0.00 O ATOM 316 CB GLU A 208 2.893 33.597 1.905 1.00 0.00 C ATOM 317 CG GLU A 208 1.664 32.881 1.310 1.00 0.00 C ATOM 318 CD GLU A 208 0.687 33.883 0.696 1.00 0.00 C ATOM 319 OE1 GLU A 208 0.913 34.259 -0.475 1.00 0.00 O ATOM 320 OE2 GLU A 208 -0.269 34.259 1.410 1.00 0.00 O ATOM 0 H GLU A 208 3.703 30.992 1.547 1.00 0.00 H new ATOM 0 HA GLU A 208 4.672 33.386 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.539 34.382 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.428 34.087 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.986 32.170 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.161 32.308 2.089 1.00 0.00 H new ATOM 327 N MET A 209 3.915 32.444 5.095 1.00 0.00 N ATOM 328 CA MET A 209 3.774 31.738 6.369 1.00 0.00 C ATOM 329 C MET A 209 3.487 32.651 7.562 1.00 0.00 C ATOM 330 O MET A 209 3.939 33.793 7.631 1.00 0.00 O ATOM 331 CB MET A 209 5.099 31.001 6.707 1.00 0.00 C ATOM 332 CG MET A 209 6.005 30.488 5.573 1.00 0.00 C ATOM 333 SD MET A 209 7.630 29.902 6.145 1.00 0.00 S ATOM 334 CE MET A 209 7.217 28.374 7.032 1.00 0.00 C ATOM 0 H MET A 209 4.495 33.280 5.163 1.00 0.00 H new ATOM 0 HA MET A 209 2.928 31.066 6.228 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.697 31.675 7.320 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.844 30.144 7.331 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.497 29.675 5.054 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.152 31.288 4.847 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.987 28.165 7.774 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.255 28.491 7.531 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.160 27.547 6.325 1.00 0.00 H new ATOM 344 N ILE A 210 2.829 32.044 8.554 1.00 0.00 N ATOM 345 CA ILE A 210 2.599 32.565 9.898 1.00 0.00 C ATOM 346 C ILE A 210 2.692 31.407 10.898 1.00 0.00 C ATOM 347 O ILE A 210 2.533 30.255 10.519 1.00 0.00 O ATOM 348 CB ILE A 210 1.238 33.287 9.936 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.047 34.064 11.252 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.049 32.351 9.631 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.071 35.103 11.153 1.00 0.00 C ATOM 0 H ILE A 210 2.419 31.119 8.429 1.00 0.00 H new ATOM 0 HA ILE A 210 3.356 33.298 10.176 1.00 0.00 H new ATOM 0 HB ILE A 210 1.252 34.017 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.820 33.364 12.056 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.980 34.561 11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.881 32.918 9.673 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.169 31.923 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.018 31.549 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.168 35.625 12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.168 35.821 10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.011 34.605 10.915 1.00 0.00 H new ATOM 363 N GLY A 211 2.942 31.700 12.175 1.00 0.00 N ATOM 364 CA GLY A 211 3.186 30.691 13.202 1.00 0.00 C ATOM 365 C GLY A 211 2.548 31.071 14.530 1.00 0.00 C ATOM 366 O GLY A 211 2.500 32.253 14.876 1.00 0.00 O ATOM 0 H GLY A 211 2.981 32.656 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.790 29.731 12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.260 30.563 13.338 1.00 0.00 H new ATOM 370 N CYS A 212 2.032 30.062 15.254 1.00 0.00 N ATOM 371 CA CYS A 212 1.278 30.327 16.483 1.00 0.00 C ATOM 372 C CYS A 212 2.204 30.799 17.604 1.00 0.00 C ATOM 373 O CYS A 212 3.322 30.310 17.768 1.00 0.00 O ATOM 374 CB CYS A 212 0.390 29.173 16.972 1.00 0.00 C ATOM 375 SG CYS A 212 -0.958 29.866 17.985 1.00 0.00 S ATOM 0 H CYS A 212 2.123 29.075 15.012 1.00 0.00 H new ATOM 0 HA CYS A 212 0.586 31.123 16.210 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.018 28.624 16.123 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.977 28.465 17.557 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.474 30.311 19.106 1.00 0.00 H new ATOM 380 N ASP A 213 1.673 31.743 18.378 1.00 0.00 N ATOM 381 CA ASP A 213 2.364 32.453 19.452 1.00 0.00 C ATOM 382 C ASP A 213 2.543 31.624 20.739 1.00 0.00 C ATOM 383 O ASP A 213 3.278 32.042 21.634 1.00 0.00 O ATOM 384 CB ASP A 213 1.579 33.745 19.741 1.00 0.00 C ATOM 385 CG ASP A 213 2.295 34.672 20.726 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.285 35.308 20.301 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.827 34.758 21.883 1.00 0.00 O ATOM 0 H ASP A 213 0.706 32.048 18.269 1.00 0.00 H new ATOM 0 HA ASP A 213 3.378 32.669 19.115 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.411 34.278 18.805 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.599 33.486 20.141 1.00 0.00 H new ATOM 392 N ASN A 214 1.888 30.459 20.850 1.00 0.00 N ATOM 393 CA ASN A 214 1.787 29.740 22.118 1.00 0.00 C ATOM 394 C ASN A 214 3.072 28.963 22.445 1.00 0.00 C ATOM 395 O ASN A 214 3.660 28.369 21.538 1.00 0.00 O ATOM 396 CB ASN A 214 0.617 28.741 22.091 1.00 0.00 C ATOM 397 CG ASN A 214 -0.709 29.302 21.590 1.00 0.00 C ATOM 398 OD1 ASN A 214 -0.989 30.490 21.694 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.537 28.424 21.028 1.00 0.00 N ATOM 0 H ASN A 214 1.420 29.997 20.070 1.00 0.00 H new ATOM 0 HA ASN A 214 1.622 30.496 22.885 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.896 27.897 21.461 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.470 28.352 23.098 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.439 28.733 20.666 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.269 27.442 20.959 1.00 0.00 H new ATOM 406 N PRO A 215 3.454 28.863 23.735 1.00 0.00 N ATOM 407 CA PRO A 215 4.505 27.959 24.200 1.00 0.00 C ATOM 408 C PRO A 215 4.024 26.492 24.254 1.00 0.00 C ATOM 409 O PRO A 215 4.792 25.617 24.652 1.00 0.00 O ATOM 410 CB PRO A 215 4.882 28.486 25.588 1.00 0.00 C ATOM 411 CG PRO A 215 3.560 29.032 26.121 1.00 0.00 C ATOM 412 CD PRO A 215 2.874 29.576 24.868 1.00 0.00 C ATOM 0 HA PRO A 215 5.358 27.945 23.522 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.278 27.696 26.226 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.645 29.262 25.531 1.00 0.00 H new ATOM 0 HG2 PRO A 215 2.966 28.253 26.599 1.00 0.00 H new ATOM 0 HG3 PRO A 215 3.718 29.813 26.865 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.797 29.417 24.916 1.00 0.00 H new ATOM 0 HD3 PRO A 215 3.034 30.650 24.773 1.00 0.00 H new ATOM 420 N ASP A 216 2.770 26.229 23.846 1.00 0.00 N ATOM 421 CA ASP A 216 2.094 24.934 23.911 1.00 0.00 C ATOM 422 C ASP A 216 1.694 24.416 22.519 1.00 0.00 C ATOM 423 O ASP A 216 1.229 23.282 22.406 1.00 0.00 O ATOM 424 CB ASP A 216 0.843 25.061 24.797 1.00 0.00 C ATOM 425 CG ASP A 216 1.136 25.684 26.162 1.00 0.00 C ATOM 426 OD1 ASP A 216 1.785 24.998 26.981 1.00 0.00 O ATOM 427 OD2 ASP A 216 0.703 26.841 26.361 1.00 0.00 O ATOM 0 H ASP A 216 2.176 26.954 23.443 1.00 0.00 H new ATOM 0 HA ASP A 216 2.792 24.213 24.337 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.099 25.667 24.280 1.00 0.00 H new ATOM 0 HB3 ASP A 216 0.405 24.073 24.941 1.00 0.00 H new ATOM 432 N CYS A 217 1.870 25.227 21.462 1.00 0.00 N ATOM 433 CA CYS A 217 1.658 24.831 20.085 1.00 0.00 C ATOM 434 C CYS A 217 2.672 23.750 19.697 1.00 0.00 C ATOM 435 O CYS A 217 3.860 23.849 20.003 1.00 0.00 O ATOM 436 CB CYS A 217 1.743 26.065 19.179 1.00 0.00 C ATOM 437 SG CYS A 217 1.267 25.650 17.485 1.00 0.00 S ATOM 0 H CYS A 217 2.171 26.197 21.558 1.00 0.00 H new ATOM 0 HA CYS A 217 0.664 24.402 19.962 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.091 26.850 19.563 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.759 26.461 19.190 1.00 0.00 H new ATOM 0 HG CYS A 217 0.239 26.365 17.136 1.00 0.00 H new ATOM 443 N SER A 218 2.166 22.736 18.993 1.00 0.00 N ATOM 444 CA SER A 218 2.893 21.535 18.577 1.00 0.00 C ATOM 445 C SER A 218 2.887 21.383 17.043 1.00 0.00 C ATOM 446 O SER A 218 3.270 20.341 16.515 1.00 0.00 O ATOM 447 CB SER A 218 2.286 20.330 19.310 1.00 0.00 C ATOM 448 OG SER A 218 3.116 19.191 19.218 1.00 0.00 O ATOM 0 H SER A 218 1.194 22.729 18.683 1.00 0.00 H new ATOM 0 HA SER A 218 3.945 21.609 18.851 1.00 0.00 H new ATOM 0 HB2 SER A 218 2.130 20.583 20.359 1.00 0.00 H new ATOM 0 HB3 SER A 218 1.307 20.102 18.888 1.00 0.00 H new ATOM 0 HG SER A 218 3.405 19.071 18.289 1.00 0.00 H new ATOM 454 N ILE A 219 2.476 22.449 16.339 1.00 0.00 N ATOM 455 CA ILE A 219 2.463 22.569 14.881 1.00 0.00 C ATOM 456 C ILE A 219 3.356 23.752 14.457 1.00 0.00 C ATOM 457 O ILE A 219 4.016 23.653 13.426 1.00 0.00 O ATOM 458 CB ILE A 219 1.002 22.719 14.378 1.00 0.00 C ATOM 459 CG1 ILE A 219 0.038 21.609 14.866 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.917 22.826 12.845 1.00 0.00 C ATOM 461 CD1 ILE A 219 0.351 20.188 14.372 1.00 0.00 C ATOM 0 H ILE A 219 2.127 23.290 16.798 1.00 0.00 H new ATOM 0 HA ILE A 219 2.870 21.668 14.423 1.00 0.00 H new ATOM 0 HB ILE A 219 0.670 23.655 14.827 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.042 21.604 15.956 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -0.973 21.868 14.552 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.126 22.929 12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.479 23.697 12.509 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.337 21.927 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.386 19.493 14.774 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.315 20.165 13.283 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.346 19.897 14.708 1.00 0.00 H new ATOM 473 N GLU A 220 3.412 24.808 15.296 1.00 0.00 N ATOM 474 CA GLU A 220 4.209 26.046 15.263 1.00 0.00 C ATOM 475 C GLU A 220 4.226 26.897 13.981 1.00 0.00 C ATOM 476 O GLU A 220 4.581 28.070 14.072 1.00 0.00 O ATOM 477 CB GLU A 220 5.627 25.807 15.815 1.00 0.00 C ATOM 478 CG GLU A 220 6.505 24.913 14.926 1.00 0.00 C ATOM 479 CD GLU A 220 7.983 25.032 15.296 1.00 0.00 C ATOM 480 OE1 GLU A 220 8.364 24.440 16.329 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.708 25.715 14.538 1.00 0.00 O ATOM 0 H GLU A 220 2.816 24.808 16.124 1.00 0.00 H new ATOM 0 HA GLU A 220 3.637 26.695 15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 220 6.122 26.770 15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 220 5.549 25.353 16.803 1.00 0.00 H new ATOM 0 HG2 GLU A 220 6.187 23.875 15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 220 6.367 25.190 13.881 1.00 0.00 H new ATOM 488 N TRP A 221 3.806 26.370 12.827 1.00 0.00 N ATOM 489 CA TRP A 221 3.760 27.058 11.556 1.00 0.00 C ATOM 490 C TRP A 221 2.501 26.670 10.794 1.00 0.00 C ATOM 491 O TRP A 221 1.978 25.569 10.943 1.00 0.00 O ATOM 492 CB TRP A 221 4.968 26.634 10.727 1.00 0.00 C ATOM 493 CG TRP A 221 6.251 27.327 11.022 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.342 26.763 11.580 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.617 28.707 10.726 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.363 27.682 11.628 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.987 28.888 11.071 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.939 29.814 10.172 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.661 30.091 10.824 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.593 31.043 9.972 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.957 31.179 10.280 1.00 0.00 C ATOM 0 H TRP A 221 3.476 25.407 12.762 1.00 0.00 H new ATOM 0 HA TRP A 221 3.764 28.134 11.732 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.119 25.563 10.866 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.731 26.788 9.674 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.404 25.745 11.935 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.284 27.496 12.026 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.899 29.716 9.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.713 30.182 11.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.044 31.886 9.580 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.463 32.116 10.099 1.00 0.00 H new ATOM 512 N PHE A 222 2.027 27.605 9.969 1.00 0.00 N ATOM 513 CA PHE A 222 0.750 27.548 9.283 1.00 0.00 C ATOM 514 C PHE A 222 0.797 28.385 8.007 1.00 0.00 C ATOM 515 O PHE A 222 1.552 29.353 7.906 1.00 0.00 O ATOM 516 CB PHE A 222 -0.366 28.100 10.193 1.00 0.00 C ATOM 517 CG PHE A 222 -0.557 27.351 11.499 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.238 27.671 12.617 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.496 26.307 11.587 1.00 0.00 C ATOM 520 CE1 PHE A 222 0.136 26.919 13.797 1.00 0.00 C ATOM 521 CE2 PHE A 222 -1.620 25.571 12.776 1.00 0.00 C ATOM 522 CZ PHE A 222 -0.803 25.877 13.877 1.00 0.00 C ATOM 0 H PHE A 222 2.550 28.455 9.757 1.00 0.00 H new ATOM 0 HA PHE A 222 0.544 26.507 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.147 29.144 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.306 28.083 9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.929 28.499 12.566 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.122 26.072 10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.775 27.140 14.639 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -2.342 24.771 12.844 1.00 0.00 H new ATOM 0 HZ PHE A 222 -0.897 25.308 14.790 1.00 0.00 H new ATOM 532 N HIS A 223 -0.054 28.024 7.042 1.00 0.00 N ATOM 533 CA HIS A 223 -0.300 28.855 5.871 1.00 0.00 C ATOM 534 C HIS A 223 -1.260 29.966 6.276 1.00 0.00 C ATOM 535 O HIS A 223 -2.191 29.747 7.056 1.00 0.00 O ATOM 536 CB HIS A 223 -0.894 28.056 4.690 1.00 0.00 C ATOM 537 CG HIS A 223 -0.078 26.912 4.134 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.341 26.273 2.920 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.038 26.356 4.687 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.661 25.398 2.745 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.498 25.420 3.796 1.00 0.00 N ATOM 0 H HIS A 223 -0.586 27.154 7.054 1.00 0.00 H new ATOM 0 HA HIS A 223 0.653 29.258 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.858 27.658 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.089 28.755 3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.475 26.605 5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.779 24.764 1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.330 24.842 3.911 1.00 0.00 H new ATOM 549 N PHE A 224 -1.039 31.147 5.694 1.00 0.00 N ATOM 550 CA PHE A 224 -1.998 32.251 5.753 1.00 0.00 C ATOM 551 C PHE A 224 -3.378 31.777 5.318 1.00 0.00 C ATOM 552 O PHE A 224 -4.338 31.947 6.057 1.00 0.00 O ATOM 553 CB PHE A 224 -1.525 33.408 4.865 1.00 0.00 C ATOM 554 CG PHE A 224 -0.366 34.194 5.432 1.00 0.00 C ATOM 555 CD1 PHE A 224 -0.487 34.912 6.636 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.846 34.213 4.732 1.00 0.00 C ATOM 557 CE1 PHE A 224 0.617 35.619 7.142 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.946 34.922 5.231 1.00 0.00 C ATOM 559 CZ PHE A 224 1.839 35.597 6.449 1.00 0.00 C ATOM 0 H PHE A 224 -0.191 31.364 5.170 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.063 32.605 6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.237 33.010 3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.361 34.087 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -1.426 34.920 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.934 33.676 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 224 0.526 36.178 8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.873 34.947 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.699 36.104 6.860 1.00 0.00 H new ATOM 569 N ALA A 225 -3.463 31.105 4.173 1.00 0.00 N ATOM 570 CA ALA A 225 -4.711 30.605 3.628 1.00 0.00 C ATOM 571 C ALA A 225 -5.326 29.454 4.443 1.00 0.00 C ATOM 572 O ALA A 225 -6.504 29.164 4.238 1.00 0.00 O ATOM 573 CB ALA A 225 -4.481 30.185 2.173 1.00 0.00 C ATOM 0 H ALA A 225 -2.652 30.892 3.593 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.440 31.414 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.413 29.807 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.144 31.045 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.722 29.403 2.136 1.00 0.00 H new ATOM 579 N CYS A 226 -4.586 28.818 5.374 1.00 0.00 N ATOM 580 CA CYS A 226 -5.151 27.806 6.259 1.00 0.00 C ATOM 581 C CYS A 226 -6.033 28.411 7.363 1.00 0.00 C ATOM 582 O CYS A 226 -6.902 27.710 7.881 1.00 0.00 O ATOM 583 CB CYS A 226 -4.015 26.985 6.870 1.00 0.00 C ATOM 584 SG CYS A 226 -4.170 25.256 6.345 1.00 0.00 S ATOM 0 H CYS A 226 -3.593 28.996 5.524 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.800 27.164 5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.052 27.387 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.048 27.051 7.958 1.00 0.00 H new ATOM 0 HG CYS A 226 -4.180 24.484 7.391 1.00 0.00 H new ATOM 590 N VAL A 227 -5.839 29.700 7.683 1.00 0.00 N ATOM 591 CA VAL A 227 -6.701 30.501 8.554 1.00 0.00 C ATOM 592 C VAL A 227 -7.564 31.486 7.752 1.00 0.00 C ATOM 593 O VAL A 227 -8.528 32.043 8.275 1.00 0.00 O ATOM 594 CB VAL A 227 -5.837 31.188 9.633 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.913 32.289 9.095 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.670 31.746 10.798 1.00 0.00 C ATOM 0 H VAL A 227 -5.044 30.230 7.326 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.411 29.848 9.061 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.203 30.382 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.342 32.719 9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.228 31.863 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.512 33.068 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.009 32.217 11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.377 32.484 10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.216 30.933 11.277 1.00 0.00 H new ATOM 606 N GLY A 228 -7.215 31.667 6.475 1.00 0.00 N ATOM 607 CA GLY A 228 -7.886 32.541 5.524 1.00 0.00 C ATOM 608 C GLY A 228 -7.311 33.961 5.498 1.00 0.00 C ATOM 609 O GLY A 228 -8.015 34.874 5.068 1.00 0.00 O ATOM 0 H GLY A 228 -6.418 31.182 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.811 32.107 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.946 32.590 5.771 1.00 0.00 H new ATOM 613 N LEU A 229 -6.071 34.168 5.974 1.00 0.00 N ATOM 614 CA LEU A 229 -5.422 35.471 5.981 1.00 0.00 C ATOM 615 C LEU A 229 -4.984 35.885 4.571 1.00 0.00 C ATOM 616 O LEU A 229 -4.755 35.051 3.695 1.00 0.00 O ATOM 617 CB LEU A 229 -4.217 35.477 6.945 1.00 0.00 C ATOM 618 CG LEU A 229 -4.549 35.880 8.398 1.00 0.00 C ATOM 619 CD1 LEU A 229 -3.309 35.682 9.282 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.999 37.346 8.519 1.00 0.00 C ATOM 0 H LEU A 229 -5.494 33.423 6.366 1.00 0.00 H new ATOM 0 HA LEU A 229 -6.151 36.201 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.771 34.482 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.463 36.162 6.557 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.373 35.244 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.544 35.967 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -3.007 34.635 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.494 36.304 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -5.219 37.574 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -4.203 38.001 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.894 37.503 7.917 1.00 0.00 H new ATOM 632 N THR A 230 -4.819 37.203 4.407 1.00 0.00 N ATOM 633 CA THR A 230 -4.335 37.873 3.196 1.00 0.00 C ATOM 634 C THR A 230 -3.225 38.891 3.522 1.00 0.00 C ATOM 635 O THR A 230 -2.687 39.526 2.616 1.00 0.00 O ATOM 636 CB THR A 230 -5.505 38.566 2.469 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.117 39.528 3.308 1.00 0.00 O ATOM 638 CG2 THR A 230 -6.572 37.576 1.986 1.00 0.00 C ATOM 0 H THR A 230 -5.031 37.864 5.154 1.00 0.00 H new ATOM 0 HA THR A 230 -3.907 37.115 2.539 1.00 0.00 H new ATOM 0 HB THR A 230 -5.073 39.051 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.856 39.958 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 230 -7.371 38.120 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 230 -6.122 36.866 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 230 -6.982 37.038 2.840 1.00 0.00 H new ATOM 646 N THR A 231 -2.892 39.036 4.812 1.00 0.00 N ATOM 647 CA THR A 231 -1.877 39.925 5.376 1.00 0.00 C ATOM 648 C THR A 231 -1.225 39.235 6.585 1.00 0.00 C ATOM 649 O THR A 231 -1.664 38.161 7.004 1.00 0.00 O ATOM 650 CB THR A 231 -2.503 41.274 5.801 1.00 0.00 C ATOM 651 OG1 THR A 231 -3.560 41.075 6.720 1.00 0.00 O ATOM 652 CG2 THR A 231 -3.026 42.096 4.617 1.00 0.00 C ATOM 0 H THR A 231 -3.361 38.494 5.538 1.00 0.00 H new ATOM 0 HA THR A 231 -1.121 40.132 4.619 1.00 0.00 H new ATOM 0 HB THR A 231 -1.696 41.837 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 231 -3.939 41.942 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 231 -3.452 43.030 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 231 -2.205 42.315 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 231 -3.793 41.528 4.091 1.00 0.00 H new ATOM 660 N LYS A 232 -0.203 39.875 7.175 1.00 0.00 N ATOM 661 CA LYS A 232 0.511 39.368 8.343 1.00 0.00 C ATOM 662 C LYS A 232 0.362 40.364 9.510 1.00 0.00 C ATOM 663 O LYS A 232 0.710 41.534 9.342 1.00 0.00 O ATOM 664 CB LYS A 232 1.987 39.136 7.979 1.00 0.00 C ATOM 665 CG LYS A 232 2.712 38.320 9.065 1.00 0.00 C ATOM 666 CD LYS A 232 4.227 38.217 8.830 1.00 0.00 C ATOM 667 CE LYS A 232 4.953 39.564 8.940 1.00 0.00 C ATOM 668 NZ LYS A 232 4.837 40.152 10.290 1.00 0.00 N ATOM 0 H LYS A 232 0.151 40.773 6.844 1.00 0.00 H new ATOM 0 HA LYS A 232 0.088 38.415 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.050 38.612 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 232 2.486 40.096 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 232 2.531 38.779 10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.287 37.317 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.653 37.523 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 232 4.406 37.796 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.006 39.428 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.541 40.258 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.438 40.998 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 3.847 40.416 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 5.144 39.456 10.999 1.00 0.00 H new ATOM 682 N PRO A 233 -0.118 39.924 10.692 1.00 0.00 N ATOM 683 CA PRO A 233 -0.191 40.731 11.908 1.00 0.00 C ATOM 684 C PRO A 233 1.197 40.877 12.562 1.00 0.00 C ATOM 685 O PRO A 233 2.218 40.493 11.984 1.00 0.00 O ATOM 686 CB PRO A 233 -1.191 39.980 12.800 1.00 0.00 C ATOM 687 CG PRO A 233 -0.913 38.520 12.462 1.00 0.00 C ATOM 688 CD PRO A 233 -0.587 38.575 10.972 1.00 0.00 C ATOM 0 HA PRO A 233 -0.515 41.755 11.721 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.027 40.189 13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -2.221 40.258 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.082 38.121 13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.777 37.886 12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.176 37.840 10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.468 38.341 10.375 1.00 0.00 H new ATOM 696 N ARG A 234 1.237 41.438 13.780 1.00 0.00 N ATOM 697 CA ARG A 234 2.451 41.623 14.553 1.00 0.00 C ATOM 698 C ARG A 234 2.123 41.520 16.044 1.00 0.00 C ATOM 699 O ARG A 234 1.113 42.041 16.517 1.00 0.00 O ATOM 700 CB ARG A 234 3.052 42.998 14.209 1.00 0.00 C ATOM 701 CG ARG A 234 4.573 43.084 14.399 1.00 0.00 C ATOM 702 CD ARG A 234 5.321 42.217 13.374 1.00 0.00 C ATOM 703 NE ARG A 234 6.768 42.487 13.376 1.00 0.00 N ATOM 704 CZ ARG A 234 7.395 43.434 12.660 1.00 0.00 C ATOM 705 NH1 ARG A 234 6.729 44.276 11.865 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.721 43.542 12.739 1.00 0.00 N ATOM 0 H ARG A 234 0.402 41.780 14.256 1.00 0.00 H new ATOM 0 HA ARG A 234 3.181 40.851 14.312 1.00 0.00 H new ATOM 0 HB2 ARG A 234 2.812 43.238 13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 234 2.576 43.756 14.831 1.00 0.00 H new ATOM 0 HG2 ARG A 234 4.894 44.121 14.303 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.833 42.762 15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.148 41.164 13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 234 4.919 42.404 12.378 1.00 0.00 H new ATOM 0 HE ARG A 234 7.348 41.901 13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.714 44.210 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.236 44.985 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 234 9.249 42.909 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.207 44.258 12.199 1.00 0.00 H new ATOM 720 N GLY A 235 3.015 40.840 16.763 1.00 0.00 N ATOM 721 CA GLY A 235 3.014 40.697 18.215 1.00 0.00 C ATOM 722 C GLY A 235 2.492 39.330 18.657 1.00 0.00 C ATOM 723 O GLY A 235 3.240 38.568 19.268 1.00 0.00 O ATOM 0 H GLY A 235 3.796 40.350 16.325 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.026 40.838 18.594 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.397 41.480 18.656 1.00 0.00 H new ATOM 727 N LYS A 236 1.223 39.029 18.338 1.00 0.00 N ATOM 728 CA LYS A 236 0.528 37.791 18.695 1.00 0.00 C ATOM 729 C LYS A 236 -0.498 37.430 17.621 1.00 0.00 C ATOM 730 O LYS A 236 -1.201 38.293 17.095 1.00 0.00 O ATOM 731 CB LYS A 236 -0.215 37.937 20.043 1.00 0.00 C ATOM 732 CG LYS A 236 0.687 37.786 21.275 1.00 0.00 C ATOM 733 CD LYS A 236 1.199 39.100 21.882 1.00 0.00 C ATOM 734 CE LYS A 236 2.289 38.832 22.930 1.00 0.00 C ATOM 735 NZ LYS A 236 3.475 38.166 22.349 1.00 0.00 N ATOM 0 H LYS A 236 0.634 39.668 17.804 1.00 0.00 H new ATOM 0 HA LYS A 236 1.281 37.008 18.778 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.697 38.914 20.076 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -1.007 37.190 20.092 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.137 37.241 22.042 1.00 0.00 H new ATOM 0 HG3 LYS A 236 1.546 37.173 21.002 1.00 0.00 H new ATOM 0 HD2 LYS A 236 1.596 39.739 21.093 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.371 39.639 22.342 1.00 0.00 H new ATOM 0 HE2 LYS A 236 2.591 39.775 23.386 1.00 0.00 H new ATOM 0 HE3 LYS A 236 1.879 38.210 23.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 4.339 38.604 22.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 3.462 37.156 22.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 3.459 38.269 21.314 1.00 0.00 H new ATOM 749 N TRP A 237 -0.610 36.122 17.361 1.00 0.00 N ATOM 750 CA TRP A 237 -1.610 35.500 16.521 1.00 0.00 C ATOM 751 C TRP A 237 -1.886 34.074 17.010 1.00 0.00 C ATOM 752 O TRP A 237 -1.022 33.422 17.600 1.00 0.00 O ATOM 753 CB TRP A 237 -1.062 35.490 15.099 1.00 0.00 C ATOM 754 CG TRP A 237 -1.860 34.735 14.093 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.894 35.192 13.367 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.693 33.348 13.706 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.375 34.185 12.549 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.643 33.022 12.700 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.811 32.342 14.129 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.672 31.752 12.103 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.853 31.058 13.565 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.762 30.771 12.532 1.00 0.00 C ATOM 0 H TRP A 237 0.037 35.441 17.759 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.551 36.048 16.557 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.970 36.522 14.760 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.056 35.072 15.122 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.291 36.195 13.415 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.168 34.288 11.916 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.088 32.560 14.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.386 31.531 11.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.186 30.289 13.925 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.761 29.796 12.068 1.00 0.00 H new ATOM 773 N PHE A 238 -3.099 33.595 16.714 1.00 0.00 N ATOM 774 CA PHE A 238 -3.607 32.294 17.124 1.00 0.00 C ATOM 775 C PHE A 238 -4.148 31.541 15.911 1.00 0.00 C ATOM 776 O PHE A 238 -4.966 32.062 15.152 1.00 0.00 O ATOM 777 CB PHE A 238 -4.670 32.457 18.222 1.00 0.00 C ATOM 778 CG PHE A 238 -4.110 32.773 19.601 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.549 34.036 19.883 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.132 31.788 20.609 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.960 34.288 21.135 1.00 0.00 C ATOM 782 CE2 PHE A 238 -3.567 32.050 21.869 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.957 33.289 22.124 1.00 0.00 C ATOM 0 H PHE A 238 -3.773 34.126 16.163 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.794 31.703 17.546 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.355 33.253 17.931 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.255 31.539 18.283 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.572 34.813 19.134 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.585 30.828 20.412 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.510 35.249 21.337 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -3.602 31.297 22.643 1.00 0.00 H new ATOM 0 HZ PHE A 238 -2.486 33.474 23.078 1.00 0.00 H new ATOM 793 N CYS A 239 -3.658 30.305 15.748 1.00 0.00 N ATOM 794 CA CYS A 239 -3.980 29.423 14.633 1.00 0.00 C ATOM 795 C CYS A 239 -5.458 28.983 14.610 1.00 0.00 C ATOM 796 O CYS A 239 -6.170 29.187 15.597 1.00 0.00 O ATOM 797 CB CYS A 239 -2.959 28.275 14.605 1.00 0.00 C ATOM 798 SG CYS A 239 -3.504 26.809 15.519 1.00 0.00 S ATOM 0 H CYS A 239 -3.008 29.884 16.412 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.886 29.971 13.695 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.764 27.997 13.569 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.016 28.626 15.024 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.178 26.932 16.771 1.00 0.00 H new ATOM 804 N PRO A 240 -5.949 28.380 13.505 1.00 0.00 N ATOM 805 CA PRO A 240 -7.362 28.046 13.356 1.00 0.00 C ATOM 806 C PRO A 240 -7.816 26.839 14.194 1.00 0.00 C ATOM 807 O PRO A 240 -9.002 26.513 14.179 1.00 0.00 O ATOM 808 CB PRO A 240 -7.581 27.825 11.856 1.00 0.00 C ATOM 809 CG PRO A 240 -6.223 27.317 11.388 1.00 0.00 C ATOM 810 CD PRO A 240 -5.233 28.066 12.275 1.00 0.00 C ATOM 0 HA PRO A 240 -7.977 28.859 13.742 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.372 27.100 11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.865 28.747 11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.135 26.238 11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.057 27.532 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.354 27.455 12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.882 28.975 11.786 1.00 0.00 H new ATOM 818 N ARG A 241 -6.902 26.213 14.951 1.00 0.00 N ATOM 819 CA ARG A 241 -7.202 25.216 15.972 1.00 0.00 C ATOM 820 C ARG A 241 -6.625 25.621 17.333 1.00 0.00 C ATOM 821 O ARG A 241 -6.347 24.774 18.181 1.00 0.00 O ATOM 822 CB ARG A 241 -6.825 23.795 15.531 1.00 0.00 C ATOM 823 CG ARG A 241 -7.554 23.379 14.238 1.00 0.00 C ATOM 824 CD ARG A 241 -7.771 21.865 14.154 1.00 0.00 C ATOM 825 NE ARG A 241 -8.871 21.447 15.041 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.035 20.240 15.601 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.176 19.240 15.389 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.087 20.034 16.392 1.00 0.00 N ATOM 0 H ARG A 241 -5.903 26.398 14.861 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.284 25.187 16.102 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.748 23.738 15.374 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.069 23.092 16.327 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.518 23.885 14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.976 23.709 13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.998 21.582 13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.855 21.345 14.433 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.581 22.149 15.251 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.366 19.383 14.786 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -8.330 18.333 15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -10.752 20.788 16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.228 19.122 16.826 1.00 0.00 H new ATOM 842 N CYS A 242 -6.483 26.937 17.539 1.00 0.00 N ATOM 843 CA CYS A 242 -6.093 27.572 18.774 1.00 0.00 C ATOM 844 C CYS A 242 -7.020 28.740 19.145 1.00 0.00 C ATOM 845 O CYS A 242 -6.986 29.173 20.296 1.00 0.00 O ATOM 846 CB CYS A 242 -4.665 28.087 18.604 1.00 0.00 C ATOM 847 SG CYS A 242 -3.443 26.779 18.917 1.00 0.00 S ATOM 0 H CYS A 242 -6.651 27.614 16.795 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.161 26.842 19.581 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.535 28.474 17.593 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.493 28.918 19.288 1.00 0.00 H new ATOM 0 HG CYS A 242 -2.245 27.258 18.760 1.00 0.00 H new ATOM 853 N SER A 243 -7.848 29.238 18.209 1.00 0.00 N ATOM 854 CA SER A 243 -8.844 30.273 18.488 1.00 0.00 C ATOM 855 C SER A 243 -10.086 30.154 17.598 1.00 0.00 C ATOM 856 O SER A 243 -11.189 30.423 18.075 1.00 0.00 O ATOM 857 CB SER A 243 -8.189 31.652 18.325 1.00 0.00 C ATOM 858 OG SER A 243 -9.102 32.691 18.610 1.00 0.00 O ATOM 0 H SER A 243 -7.840 28.929 17.237 1.00 0.00 H new ATOM 0 HA SER A 243 -9.191 30.141 19.513 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.328 31.729 18.989 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.816 31.762 17.307 1.00 0.00 H new ATOM 0 HG SER A 243 -8.657 33.557 18.499 1.00 0.00 H new ATOM 864 N GLN A 244 -9.933 29.732 16.333 1.00 0.00 N ATOM 865 CA GLN A 244 -11.058 29.665 15.391 1.00 0.00 C ATOM 866 C GLN A 244 -12.000 28.472 15.659 1.00 0.00 C ATOM 867 O GLN A 244 -13.124 28.472 15.158 1.00 0.00 O ATOM 868 CB GLN A 244 -10.540 29.691 13.941 1.00 0.00 C ATOM 869 CG GLN A 244 -11.575 30.128 12.891 1.00 0.00 C ATOM 870 CD GLN A 244 -12.059 31.564 13.101 1.00 0.00 C ATOM 871 OE1 GLN A 244 -13.075 31.798 13.750 1.00 0.00 O ATOM 872 NE2 GLN A 244 -11.331 32.539 12.559 1.00 0.00 N ATOM 0 H GLN A 244 -9.041 29.432 15.940 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.672 30.552 15.549 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.684 30.364 13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.179 28.696 13.682 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.138 30.038 11.897 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.429 29.452 12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.492 32.312 12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -11.613 33.512 12.678 1.00 0.00 H new ATOM 881 N GLU A 245 -11.595 27.497 16.495 1.00 0.00 N ATOM 882 CA GLU A 245 -12.485 26.435 16.985 1.00 0.00 C ATOM 883 C GLU A 245 -13.598 26.969 17.910 1.00 0.00 C ATOM 884 O GLU A 245 -14.521 26.223 18.235 1.00 0.00 O ATOM 885 CB GLU A 245 -11.668 25.344 17.699 1.00 0.00 C ATOM 886 CG GLU A 245 -10.815 24.506 16.735 1.00 0.00 C ATOM 887 CD GLU A 245 -11.621 23.485 15.931 1.00 0.00 C ATOM 888 OE1 GLU A 245 -11.878 22.387 16.475 1.00 0.00 O ATOM 889 OE2 GLU A 245 -11.941 23.794 14.764 1.00 0.00 O ATOM 0 H GLU A 245 -10.641 27.426 16.848 1.00 0.00 H new ATOM 0 HA GLU A 245 -12.980 26.006 16.114 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.018 25.810 18.439 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.347 24.686 18.241 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -10.300 25.174 16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.047 23.983 17.304 1.00 0.00 H new