USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 272 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 -166:sc= 0.0347 USER MOD Set 1.2: A 239 CYS SG : rot 180:sc= 0.152 USER MOD Set 1.3: A 242 CYS SG : rot 101:sc= 1.24 USER MOD Set 2.1: A 199 CYS SG : rot -108:sc= 0.867 USER MOD Set 2.2: A 201 CYS SG : rot 71:sc= 1.18 USER MOD Set 2.3: A 206 TYR OH : rot -53:sc= 0.238 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.407 X(o=3.8,f=3.7) USER MOD Set 2.5: A 226 CYS SG : rot 87:sc= 1.9 USER MOD Single : A 197 THR OG1 : rot -37:sc= 0.0842 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.17) USER MOD Single : A 203 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl 174:sc= 0 (180deg=-0.02) USER MOD Single : A 217 CYS SG : rot 110:sc= 0.649 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.051 2.884 -8.468 1.00 0.00 N ATOM 149 CA THR A 197 -7.534 1.550 -8.158 1.00 0.00 C ATOM 150 C THR A 197 -6.006 1.581 -8.265 1.00 0.00 C ATOM 151 O THR A 197 -5.485 2.209 -9.190 1.00 0.00 O ATOM 152 CB THR A 197 -8.123 0.522 -9.139 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.867 0.863 -10.486 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.636 0.347 -8.964 1.00 0.00 C ATOM 0 HA THR A 197 -7.821 1.261 -7.147 1.00 0.00 H new ATOM 0 HB THR A 197 -7.624 -0.417 -8.901 1.00 0.00 H new ATOM 0 HG1 THR A 197 -7.921 1.836 -10.593 1.00 0.00 H new ATOM 0 HG21 THR A 197 -10.002 -0.389 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.848 0.005 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 197 -10.135 1.301 -9.137 1.00 0.00 H new ATOM 162 N TYR A 198 -5.281 0.945 -7.320 1.00 0.00 N ATOM 163 CA TYR A 198 -3.825 1.147 -7.240 1.00 0.00 C ATOM 164 C TYR A 198 -3.024 0.011 -6.583 1.00 0.00 C ATOM 165 O TYR A 198 -1.946 -0.260 -7.114 1.00 0.00 O ATOM 166 CB TYR A 198 -3.449 2.476 -6.552 1.00 0.00 C ATOM 167 CG TYR A 198 -4.280 3.715 -6.862 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.510 3.935 -6.210 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.822 4.653 -7.809 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.281 5.072 -6.497 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.592 5.790 -8.113 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.828 6.003 -7.458 1.00 0.00 C ATOM 173 OH TYR A 198 -6.584 7.098 -7.754 1.00 0.00 O ATOM 0 H TYR A 198 -5.668 0.308 -6.624 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.537 1.166 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.485 2.314 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.413 2.699 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.863 3.220 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.875 4.498 -8.304 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.218 5.235 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -4.240 6.500 -8.846 1.00 0.00 H new ATOM 0 HH TYR A 198 -6.128 7.636 -8.434 1.00 0.00 H new ATOM 183 N CYS A 199 -3.480 -0.675 -5.503 1.00 0.00 N ATOM 184 CA CYS A 199 -2.764 -1.887 -5.049 1.00 0.00 C ATOM 185 C CYS A 199 -2.576 -2.908 -6.182 1.00 0.00 C ATOM 186 O CYS A 199 -3.137 -2.806 -7.273 1.00 0.00 O ATOM 187 CB CYS A 199 -3.316 -2.598 -3.785 1.00 0.00 C ATOM 188 SG CYS A 199 -1.859 -3.267 -2.901 1.00 0.00 S ATOM 0 H CYS A 199 -4.302 -0.422 -4.955 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.801 -1.480 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.867 -1.900 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -4.007 -3.396 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.838 -4.562 -3.017 1.00 0.00 H new ATOM 193 N LEU A 200 -1.832 -3.960 -5.847 1.00 0.00 N ATOM 194 CA LEU A 200 -1.638 -5.158 -6.660 1.00 0.00 C ATOM 195 C LEU A 200 -2.965 -5.897 -6.886 1.00 0.00 C ATOM 196 O LEU A 200 -3.013 -6.862 -7.648 1.00 0.00 O ATOM 197 CB LEU A 200 -0.625 -6.107 -5.984 1.00 0.00 C ATOM 198 CG LEU A 200 0.573 -5.431 -5.285 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.441 -6.486 -4.585 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.441 -4.614 -6.254 1.00 0.00 C ATOM 0 H LEU A 200 -1.326 -4.002 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.249 -4.843 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.157 -6.709 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -0.240 -6.793 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 200 0.160 -4.738 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.283 -5.997 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 200 0.844 -7.013 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 200 1.813 -7.198 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.268 -4.161 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 200 1.835 -5.269 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.837 -3.831 -6.712 1.00 0.00 H new ATOM 212 N CYS A 201 -4.031 -5.438 -6.216 1.00 0.00 N ATOM 213 CA CYS A 201 -5.365 -5.962 -6.285 1.00 0.00 C ATOM 214 C CYS A 201 -6.265 -5.166 -7.237 1.00 0.00 C ATOM 215 O CYS A 201 -7.367 -5.625 -7.535 1.00 0.00 O ATOM 216 CB CYS A 201 -5.920 -5.834 -4.877 1.00 0.00 C ATOM 217 SG CYS A 201 -5.135 -6.989 -3.726 1.00 0.00 S ATOM 0 H CYS A 201 -3.961 -4.644 -5.579 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.341 -6.986 -6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.774 -4.814 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.995 -6.015 -4.894 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.910 -6.615 -3.504 1.00 0.00 H new ATOM 222 N HIS A 202 -5.807 -3.977 -7.665 1.00 0.00 N ATOM 223 CA HIS A 202 -6.525 -2.991 -8.465 1.00 0.00 C ATOM 224 C HIS A 202 -7.959 -2.763 -7.963 1.00 0.00 C ATOM 225 O HIS A 202 -8.917 -2.787 -8.735 1.00 0.00 O ATOM 226 CB HIS A 202 -6.374 -3.275 -9.972 1.00 0.00 C ATOM 227 CG HIS A 202 -6.880 -4.621 -10.432 1.00 0.00 C ATOM 228 ND1 HIS A 202 -8.187 -4.954 -10.701 1.00 0.00 N ATOM 229 CD2 HIS A 202 -6.128 -5.746 -10.644 1.00 0.00 C ATOM 230 CE1 HIS A 202 -8.216 -6.250 -11.058 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.982 -6.779 -11.041 1.00 0.00 N ATOM 0 H HIS A 202 -4.861 -3.666 -7.442 1.00 0.00 H new ATOM 0 HA HIS A 202 -6.056 -2.017 -8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.903 -2.499 -10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.320 -3.193 -10.236 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -5.057 -5.822 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -9.111 -6.793 -11.323 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.721 -7.738 -11.271 1.00 0.00 H new ATOM 239 N GLN A 203 -8.087 -2.559 -6.643 1.00 0.00 N ATOM 240 CA GLN A 203 -9.330 -2.260 -5.953 1.00 0.00 C ATOM 241 C GLN A 203 -8.983 -1.690 -4.578 1.00 0.00 C ATOM 242 O GLN A 203 -7.990 -2.086 -3.974 1.00 0.00 O ATOM 243 CB GLN A 203 -10.226 -3.511 -5.839 1.00 0.00 C ATOM 244 CG GLN A 203 -9.663 -4.591 -4.905 1.00 0.00 C ATOM 245 CD GLN A 203 -10.348 -5.939 -5.102 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.238 -6.307 -4.342 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.930 -6.692 -6.119 1.00 0.00 N ATOM 0 H GLN A 203 -7.288 -2.602 -6.010 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.902 -1.526 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.210 -3.210 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.365 -3.939 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.593 -4.700 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.784 -4.272 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -9.187 -6.355 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.353 -7.605 -6.285 1.00 0.00 H new ATOM 256 N VAL A 204 -9.833 -0.779 -4.108 1.00 0.00 N ATOM 257 CA VAL A 204 -9.766 -0.085 -2.809 1.00 0.00 C ATOM 258 C VAL A 204 -11.149 -0.117 -2.117 1.00 0.00 C ATOM 259 O VAL A 204 -12.120 -0.607 -2.695 1.00 0.00 O ATOM 260 CB VAL A 204 -9.181 1.355 -2.932 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.386 1.748 -1.664 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.253 1.536 -4.146 1.00 0.00 C ATOM 0 H VAL A 204 -10.642 -0.482 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.064 -0.623 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.049 2.001 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -7.991 2.757 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.045 1.714 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.561 1.050 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.882 2.561 -4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.412 0.847 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.807 1.329 -5.062 1.00 0.00 H new ATOM 272 N SER A 205 -11.231 0.394 -0.877 1.00 0.00 N ATOM 273 CA SER A 205 -12.411 0.371 -0.002 1.00 0.00 C ATOM 274 C SER A 205 -12.892 -1.059 0.316 1.00 0.00 C ATOM 275 O SER A 205 -13.962 -1.487 -0.116 1.00 0.00 O ATOM 276 CB SER A 205 -13.504 1.303 -0.551 1.00 0.00 C ATOM 277 OG SER A 205 -14.499 1.533 0.427 1.00 0.00 O ATOM 0 H SER A 205 -10.435 0.857 -0.438 1.00 0.00 H new ATOM 0 HA SER A 205 -12.125 0.770 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.061 2.251 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.955 0.860 -1.439 1.00 0.00 H new ATOM 0 HG SER A 205 -15.186 2.129 0.061 1.00 0.00 H new ATOM 283 N TYR A 206 -12.051 -1.807 1.046 1.00 0.00 N ATOM 284 CA TYR A 206 -12.209 -3.224 1.368 1.00 0.00 C ATOM 285 C TYR A 206 -11.332 -3.566 2.580 1.00 0.00 C ATOM 286 O TYR A 206 -10.111 -3.685 2.474 1.00 0.00 O ATOM 287 CB TYR A 206 -11.918 -4.142 0.157 1.00 0.00 C ATOM 288 CG TYR A 206 -10.508 -4.185 -0.433 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.757 -3.008 -0.603 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.955 -5.410 -0.873 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.492 -3.044 -1.183 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.681 -5.452 -1.479 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.951 -4.253 -1.645 1.00 0.00 C ATOM 294 OH TYR A 206 -6.748 -4.199 -2.285 1.00 0.00 O ATOM 0 H TYR A 206 -11.199 -1.414 1.446 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.252 -3.408 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.182 -5.159 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.598 -3.852 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.167 -2.063 -0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.514 -6.325 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.921 -2.132 -1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.267 -6.392 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.796 -3.549 -3.017 1.00 0.00 H new ATOM 304 N GLY A 207 -11.983 -3.686 3.743 1.00 0.00 N ATOM 305 CA GLY A 207 -11.357 -3.846 5.046 1.00 0.00 C ATOM 306 C GLY A 207 -10.629 -2.566 5.447 1.00 0.00 C ATOM 307 O GLY A 207 -11.245 -1.617 5.931 1.00 0.00 O ATOM 0 H GLY A 207 -13.002 -3.673 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -12.113 -4.091 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.654 -4.679 5.019 1.00 0.00 H new ATOM 311 N GLU A 208 -9.314 -2.565 5.221 1.00 0.00 N ATOM 312 CA GLU A 208 -8.371 -1.531 5.617 1.00 0.00 C ATOM 313 C GLU A 208 -7.262 -1.341 4.570 1.00 0.00 C ATOM 314 O GLU A 208 -7.143 -2.111 3.618 1.00 0.00 O ATOM 315 CB GLU A 208 -7.828 -1.892 7.007 1.00 0.00 C ATOM 316 CG GLU A 208 -6.806 -3.036 7.059 1.00 0.00 C ATOM 317 CD GLU A 208 -7.385 -4.400 6.670 1.00 0.00 C ATOM 318 OE1 GLU A 208 -7.984 -5.041 7.561 1.00 0.00 O ATOM 319 OE2 GLU A 208 -7.233 -4.778 5.486 1.00 0.00 O ATOM 0 H GLU A 208 -8.858 -3.333 4.728 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.872 -0.565 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -7.368 -1.002 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -8.671 -2.156 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -5.976 -2.800 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -6.397 -3.100 8.067 1.00 0.00 H new ATOM 326 N MET A 209 -6.461 -0.283 4.752 1.00 0.00 N ATOM 327 CA MET A 209 -5.492 0.213 3.772 1.00 0.00 C ATOM 328 C MET A 209 -4.224 0.740 4.457 1.00 0.00 C ATOM 329 O MET A 209 -4.247 1.095 5.636 1.00 0.00 O ATOM 330 CB MET A 209 -6.157 1.346 2.959 1.00 0.00 C ATOM 331 CG MET A 209 -7.291 0.888 2.022 1.00 0.00 C ATOM 332 SD MET A 209 -8.978 0.821 2.696 1.00 0.00 S ATOM 333 CE MET A 209 -9.347 2.588 2.838 1.00 0.00 C ATOM 0 H MET A 209 -6.471 0.266 5.611 1.00 0.00 H new ATOM 0 HA MET A 209 -5.197 -0.607 3.117 1.00 0.00 H new ATOM 0 HB2 MET A 209 -6.555 2.087 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 209 -5.392 1.845 2.364 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.302 1.555 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 209 -7.039 -0.106 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.387 2.720 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 209 -8.694 3.037 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 209 -9.182 3.073 1.876 1.00 0.00 H new ATOM 343 N ILE A 210 -3.125 0.833 3.688 1.00 0.00 N ATOM 344 CA ILE A 210 -1.891 1.503 4.069 1.00 0.00 C ATOM 345 C ILE A 210 -1.478 2.376 2.878 1.00 0.00 C ATOM 346 O ILE A 210 -2.309 3.087 2.314 1.00 0.00 O ATOM 347 CB ILE A 210 -0.850 0.487 4.631 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.402 1.089 5.320 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.400 -0.645 3.690 1.00 0.00 C ATOM 350 CD1 ILE A 210 0.102 2.183 6.349 1.00 0.00 C ATOM 0 H ILE A 210 -3.081 0.426 2.754 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.002 2.180 4.916 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.481 0.043 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.950 0.286 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.059 1.500 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.323 -1.279 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.264 -1.242 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.060 -0.217 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.036 2.545 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.417 3.009 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.527 1.776 7.140 1.00 0.00 H new ATOM 362 N GLY A 211 -0.198 2.351 2.523 1.00 0.00 N ATOM 363 CA GLY A 211 0.414 3.211 1.541 1.00 0.00 C ATOM 364 C GLY A 211 1.865 3.516 1.861 1.00 0.00 C ATOM 365 O GLY A 211 2.208 3.853 2.993 1.00 0.00 O ATOM 0 H GLY A 211 0.465 1.696 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.353 2.739 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.146 4.144 1.481 1.00 0.00 H new ATOM 369 N CYS A 212 2.696 3.394 0.822 1.00 0.00 N ATOM 370 CA CYS A 212 4.108 3.743 0.867 1.00 0.00 C ATOM 371 C CYS A 212 4.243 5.249 1.095 1.00 0.00 C ATOM 372 O CYS A 212 3.794 6.047 0.271 1.00 0.00 O ATOM 373 CB CYS A 212 4.845 3.304 -0.407 1.00 0.00 C ATOM 374 SG CYS A 212 6.593 3.762 -0.241 1.00 0.00 S ATOM 0 H CYS A 212 2.395 3.043 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 212 4.576 3.209 1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.746 2.228 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.408 3.784 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 212 7.177 3.671 -1.399 1.00 0.00 H new ATOM 379 N ASP A 213 4.889 5.607 2.211 1.00 0.00 N ATOM 380 CA ASP A 213 5.145 6.978 2.645 1.00 0.00 C ATOM 381 C ASP A 213 6.178 7.727 1.774 1.00 0.00 C ATOM 382 O ASP A 213 6.547 8.850 2.115 1.00 0.00 O ATOM 383 CB ASP A 213 5.571 6.944 4.121 1.00 0.00 C ATOM 384 CG ASP A 213 4.434 6.491 5.037 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.333 5.265 5.264 1.00 0.00 O ATOM 386 OD2 ASP A 213 3.689 7.378 5.506 1.00 0.00 O ATOM 0 H ASP A 213 5.262 4.916 2.862 1.00 0.00 H new ATOM 0 HA ASP A 213 4.223 7.547 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.420 6.270 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 213 5.907 7.936 4.424 1.00 0.00 H new ATOM 391 N ASP A 214 6.655 7.127 0.671 1.00 0.00 N ATOM 392 CA ASP A 214 7.438 7.807 -0.353 1.00 0.00 C ATOM 393 C ASP A 214 6.518 8.800 -1.088 1.00 0.00 C ATOM 394 O ASP A 214 5.536 8.359 -1.689 1.00 0.00 O ATOM 395 CB ASP A 214 7.998 6.748 -1.316 1.00 0.00 C ATOM 396 CG ASP A 214 8.757 7.316 -2.516 1.00 0.00 C ATOM 397 OD1 ASP A 214 9.344 8.410 -2.378 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.734 6.629 -3.560 1.00 0.00 O ATOM 0 H ASP A 214 6.500 6.139 0.470 1.00 0.00 H new ATOM 0 HA ASP A 214 8.271 8.360 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.664 6.087 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.173 6.136 -1.681 1.00 0.00 H new ATOM 403 N PRO A 215 6.809 10.118 -1.077 1.00 0.00 N ATOM 404 CA PRO A 215 6.008 11.124 -1.776 1.00 0.00 C ATOM 405 C PRO A 215 6.237 11.135 -3.298 1.00 0.00 C ATOM 406 O PRO A 215 5.679 11.986 -3.988 1.00 0.00 O ATOM 407 CB PRO A 215 6.400 12.455 -1.127 1.00 0.00 C ATOM 408 CG PRO A 215 7.872 12.237 -0.787 1.00 0.00 C ATOM 409 CD PRO A 215 7.911 10.765 -0.377 1.00 0.00 C ATOM 0 HA PRO A 215 4.943 10.913 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 215 6.261 13.295 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.805 12.664 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 215 8.518 12.436 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 215 8.202 12.891 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.864 10.311 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.802 10.659 0.702 1.00 0.00 H new ATOM 417 N ASP A 216 7.020 10.177 -3.814 1.00 0.00 N ATOM 418 CA ASP A 216 7.260 9.948 -5.236 1.00 0.00 C ATOM 419 C ASP A 216 6.757 8.553 -5.653 1.00 0.00 C ATOM 420 O ASP A 216 6.950 8.150 -6.802 1.00 0.00 O ATOM 421 CB ASP A 216 8.756 10.165 -5.522 1.00 0.00 C ATOM 422 CG ASP A 216 9.074 10.257 -7.018 1.00 0.00 C ATOM 423 OD1 ASP A 216 8.519 11.173 -7.666 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.879 9.423 -7.489 1.00 0.00 O ATOM 0 H ASP A 216 7.522 9.515 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 216 6.697 10.659 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 216 9.085 11.080 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.326 9.345 -5.085 1.00 0.00 H new ATOM 429 N CYS A 217 6.085 7.822 -4.744 1.00 0.00 N ATOM 430 CA CYS A 217 5.470 6.538 -5.040 1.00 0.00 C ATOM 431 C CYS A 217 4.406 6.693 -6.136 1.00 0.00 C ATOM 432 O CYS A 217 3.505 7.525 -6.037 1.00 0.00 O ATOM 433 CB CYS A 217 4.839 5.992 -3.763 1.00 0.00 C ATOM 434 SG CYS A 217 4.162 4.338 -4.033 1.00 0.00 S ATOM 0 H CYS A 217 5.959 8.120 -3.777 1.00 0.00 H new ATOM 0 HA CYS A 217 6.228 5.844 -5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.586 5.958 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 217 4.048 6.663 -3.428 1.00 0.00 H new ATOM 0 HG CYS A 217 4.886 3.464 -3.399 1.00 0.00 H new ATOM 440 N SER A 218 4.516 5.844 -7.160 1.00 0.00 N ATOM 441 CA SER A 218 3.666 5.837 -8.356 1.00 0.00 C ATOM 442 C SER A 218 2.305 5.152 -8.133 1.00 0.00 C ATOM 443 O SER A 218 1.546 4.986 -9.087 1.00 0.00 O ATOM 444 CB SER A 218 4.414 5.134 -9.499 1.00 0.00 C ATOM 445 OG SER A 218 5.683 5.716 -9.721 1.00 0.00 O ATOM 0 H SER A 218 5.227 5.113 -7.181 1.00 0.00 H new ATOM 0 HA SER A 218 3.455 6.877 -8.606 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.534 4.077 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.822 5.190 -10.412 1.00 0.00 H new ATOM 0 HG SER A 218 6.135 5.246 -10.453 1.00 0.00 H new ATOM 451 N ILE A 219 2.009 4.733 -6.893 1.00 0.00 N ATOM 452 CA ILE A 219 0.878 3.881 -6.525 1.00 0.00 C ATOM 453 C ILE A 219 0.178 4.433 -5.268 1.00 0.00 C ATOM 454 O ILE A 219 -1.048 4.395 -5.182 1.00 0.00 O ATOM 455 CB ILE A 219 1.423 2.451 -6.291 1.00 0.00 C ATOM 456 CG1 ILE A 219 2.069 1.787 -7.529 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.344 1.535 -5.705 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.105 1.472 -8.678 1.00 0.00 C ATOM 0 H ILE A 219 2.579 4.992 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 219 0.132 3.862 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 219 2.231 2.582 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 219 2.855 2.443 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 219 2.550 0.861 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.757 0.538 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.004 1.937 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.498 1.477 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.655 1.009 -9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.332 0.788 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.642 2.395 -9.028 1.00 0.00 H new ATOM 470 N GLU A 220 0.971 4.986 -4.337 1.00 0.00 N ATOM 471 CA GLU A 220 0.593 5.746 -3.139 1.00 0.00 C ATOM 472 C GLU A 220 -0.021 4.911 -1.999 1.00 0.00 C ATOM 473 O GLU A 220 0.369 5.118 -0.852 1.00 0.00 O ATOM 474 CB GLU A 220 -0.203 7.018 -3.534 1.00 0.00 C ATOM 475 CG GLU A 220 -1.623 7.182 -2.959 1.00 0.00 C ATOM 476 CD GLU A 220 -1.645 7.550 -1.470 1.00 0.00 C ATOM 477 OE1 GLU A 220 -0.954 8.526 -1.104 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.370 6.861 -0.719 1.00 0.00 O ATOM 0 H GLU A 220 1.985 4.904 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 220 1.518 6.085 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.383 7.887 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.276 7.043 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.147 7.954 -3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.174 6.252 -3.103 1.00 0.00 H new ATOM 485 N TRP A 221 -0.907 3.948 -2.295 1.00 0.00 N ATOM 486 CA TRP A 221 -1.636 3.128 -1.324 1.00 0.00 C ATOM 487 C TRP A 221 -1.474 1.647 -1.689 1.00 0.00 C ATOM 488 O TRP A 221 -1.380 1.278 -2.860 1.00 0.00 O ATOM 489 CB TRP A 221 -3.100 3.575 -1.223 1.00 0.00 C ATOM 490 CG TRP A 221 -4.050 2.678 -1.896 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.458 2.770 -3.170 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.573 1.437 -1.371 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.124 1.613 -3.504 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.182 0.733 -2.443 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.488 0.802 -0.119 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.657 -0.572 -2.285 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.011 -0.486 0.056 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.553 -1.188 -1.026 1.00 0.00 C ATOM 0 H TRP A 221 -1.143 3.712 -3.259 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.217 3.265 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.373 3.652 -0.171 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.194 4.573 -1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.292 3.612 -3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.526 1.429 -4.423 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.018 1.309 0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.098 -1.099 -3.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -4.996 -0.941 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -5.892 -2.205 -0.894 1.00 0.00 H new ATOM 509 N PHE A 222 -1.468 0.794 -0.663 1.00 0.00 N ATOM 510 CA PHE A 222 -1.227 -0.644 -0.771 1.00 0.00 C ATOM 511 C PHE A 222 -2.001 -1.356 0.329 1.00 0.00 C ATOM 512 O PHE A 222 -2.334 -0.759 1.351 1.00 0.00 O ATOM 513 CB PHE A 222 0.263 -0.960 -0.573 1.00 0.00 C ATOM 514 CG PHE A 222 1.157 -0.474 -1.688 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.582 0.866 -1.698 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.536 -1.342 -2.728 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.352 1.353 -2.759 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.338 -0.865 -3.777 1.00 0.00 C ATOM 519 CZ PHE A 222 2.745 0.480 -3.785 1.00 0.00 C ATOM 0 H PHE A 222 -1.636 1.096 0.297 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.544 -0.975 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.595 -0.513 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.383 -2.039 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.313 1.522 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.211 -2.372 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.642 2.393 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.641 -1.528 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.367 0.846 -4.589 1.00 0.00 H new ATOM 529 N HIS A 223 -2.277 -2.643 0.119 1.00 0.00 N ATOM 530 CA HIS A 223 -3.160 -3.402 0.982 1.00 0.00 C ATOM 531 C HIS A 223 -2.389 -4.026 2.147 1.00 0.00 C ATOM 532 O HIS A 223 -1.259 -4.486 1.992 1.00 0.00 O ATOM 533 CB HIS A 223 -3.903 -4.434 0.124 1.00 0.00 C ATOM 534 CG HIS A 223 -5.186 -4.962 0.707 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.676 -6.249 0.488 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.096 -4.251 1.435 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.853 -6.292 1.136 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.133 -5.107 1.708 1.00 0.00 N ATOM 0 H HIS A 223 -1.891 -3.182 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 223 -3.899 -2.748 1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.123 -3.984 -0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.235 -5.276 -0.060 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.015 -3.217 1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.490 -7.163 1.190 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -7.969 -4.884 2.249 1.00 0.00 H new ATOM 546 N PHE A 224 -3.064 -4.066 3.299 1.00 0.00 N ATOM 547 CA PHE A 224 -2.685 -4.773 4.527 1.00 0.00 C ATOM 548 C PHE A 224 -2.474 -6.285 4.346 1.00 0.00 C ATOM 549 O PHE A 224 -2.008 -6.933 5.281 1.00 0.00 O ATOM 550 CB PHE A 224 -3.780 -4.537 5.583 1.00 0.00 C ATOM 551 CG PHE A 224 -3.437 -3.591 6.720 1.00 0.00 C ATOM 552 CD1 PHE A 224 -2.999 -2.278 6.458 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.682 -3.990 8.049 1.00 0.00 C ATOM 554 CE1 PHE A 224 -2.806 -1.375 7.520 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.514 -3.077 9.102 1.00 0.00 C ATOM 556 CZ PHE A 224 -3.068 -1.772 8.841 1.00 0.00 C ATOM 0 H PHE A 224 -3.950 -3.572 3.406 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.721 -4.370 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.665 -4.153 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.052 -5.501 6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -2.811 -1.964 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -4.000 -5.001 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -2.455 -0.374 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -3.729 -3.380 10.116 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.927 -1.075 9.654 1.00 0.00 H new ATOM 566 N ALA A 225 -2.787 -6.840 3.167 1.00 0.00 N ATOM 567 CA ALA A 225 -2.535 -8.222 2.804 1.00 0.00 C ATOM 568 C ALA A 225 -1.684 -8.342 1.530 1.00 0.00 C ATOM 569 O ALA A 225 -1.219 -9.441 1.233 1.00 0.00 O ATOM 570 CB ALA A 225 -3.866 -8.968 2.684 1.00 0.00 C ATOM 0 H ALA A 225 -3.238 -6.311 2.420 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.946 -8.687 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.678 -10.006 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.390 -8.933 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.479 -8.497 1.916 1.00 0.00 H new ATOM 576 N CYS A 226 -1.418 -7.233 0.814 1.00 0.00 N ATOM 577 CA CYS A 226 -0.428 -7.201 -0.261 1.00 0.00 C ATOM 578 C CYS A 226 1.019 -7.140 0.260 1.00 0.00 C ATOM 579 O CYS A 226 1.959 -7.191 -0.533 1.00 0.00 O ATOM 580 CB CYS A 226 -0.739 -6.042 -1.187 1.00 0.00 C ATOM 581 SG CYS A 226 -1.999 -6.571 -2.377 1.00 0.00 S ATOM 0 H CYS A 226 -1.886 -6.340 0.970 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.497 -8.137 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.096 -5.186 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.163 -5.723 -1.709 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.181 -6.385 -1.869 1.00 0.00 H new ATOM 587 N VAL A 227 1.187 -7.072 1.587 1.00 0.00 N ATOM 588 CA VAL A 227 2.451 -7.209 2.311 1.00 0.00 C ATOM 589 C VAL A 227 2.312 -8.196 3.492 1.00 0.00 C ATOM 590 O VAL A 227 3.288 -8.485 4.181 1.00 0.00 O ATOM 591 CB VAL A 227 2.950 -5.805 2.710 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.972 -5.103 3.664 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.367 -5.812 3.306 1.00 0.00 C ATOM 0 H VAL A 227 0.400 -6.911 2.216 1.00 0.00 H new ATOM 0 HA VAL A 227 3.215 -7.651 1.671 1.00 0.00 H new ATOM 0 HB VAL A 227 2.998 -5.238 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.359 -4.117 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 227 1.003 -4.996 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.859 -5.697 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.658 -4.794 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.382 -6.433 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.068 -6.214 2.574 1.00 0.00 H new ATOM 603 N GLY A 228 1.101 -8.731 3.707 1.00 0.00 N ATOM 604 CA GLY A 228 0.771 -9.641 4.800 1.00 0.00 C ATOM 605 C GLY A 228 0.908 -8.989 6.181 1.00 0.00 C ATOM 606 O GLY A 228 1.340 -9.656 7.120 1.00 0.00 O ATOM 0 H GLY A 228 0.303 -8.532 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.251 -9.999 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.423 -10.513 4.749 1.00 0.00 H new ATOM 610 N LEU A 229 0.600 -7.687 6.287 1.00 0.00 N ATOM 611 CA LEU A 229 0.791 -6.894 7.500 1.00 0.00 C ATOM 612 C LEU A 229 -0.124 -7.358 8.636 1.00 0.00 C ATOM 613 O LEU A 229 0.367 -7.616 9.733 1.00 0.00 O ATOM 614 CB LEU A 229 0.542 -5.396 7.208 1.00 0.00 C ATOM 615 CG LEU A 229 1.826 -4.548 7.173 1.00 0.00 C ATOM 616 CD1 LEU A 229 1.473 -3.137 6.683 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.529 -4.453 8.537 1.00 0.00 C ATOM 0 H LEU A 229 0.204 -7.151 5.515 1.00 0.00 H new ATOM 0 HA LEU A 229 1.823 -7.037 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.030 -5.302 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.127 -4.994 7.968 1.00 0.00 H new ATOM 0 HG LEU A 229 2.522 -5.042 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 229 2.375 -2.526 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 229 1.042 -3.196 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.751 -2.686 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.426 -3.842 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.855 -3.998 9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.805 -5.452 8.875 1.00 0.00 H new ATOM 746 N TRP A 237 6.231 3.395 6.425 1.00 0.00 N ATOM 747 CA TRP A 237 6.225 2.107 5.742 1.00 0.00 C ATOM 748 C TRP A 237 6.594 2.300 4.260 1.00 0.00 C ATOM 749 O TRP A 237 6.508 3.409 3.728 1.00 0.00 O ATOM 750 CB TRP A 237 4.828 1.503 5.907 1.00 0.00 C ATOM 751 CG TRP A 237 4.587 0.167 5.263 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.852 -1.047 5.793 1.00 0.00 C ATOM 753 CD2 TRP A 237 4.059 -0.102 3.928 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.529 -2.038 4.885 1.00 0.00 N ATOM 755 CE2 TRP A 237 4.041 -1.510 3.709 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.640 0.718 2.863 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.615 -2.067 2.490 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.213 0.173 1.639 1.00 0.00 C ATOM 759 CH2 TRP A 237 3.184 -1.220 1.460 1.00 0.00 C ATOM 0 HA TRP A 237 6.964 1.428 6.169 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.623 1.408 6.973 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.103 2.210 5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.256 -1.218 6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.638 -3.036 5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.647 1.791 2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.620 -3.138 2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.907 0.826 0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.830 -1.638 0.529 1.00 0.00 H new ATOM 770 N PHE A 238 6.984 1.207 3.586 1.00 0.00 N ATOM 771 CA PHE A 238 7.347 1.199 2.172 1.00 0.00 C ATOM 772 C PHE A 238 6.816 -0.067 1.493 1.00 0.00 C ATOM 773 O PHE A 238 6.865 -1.153 2.072 1.00 0.00 O ATOM 774 CB PHE A 238 8.876 1.263 2.009 1.00 0.00 C ATOM 775 CG PHE A 238 9.546 2.473 2.636 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.703 3.664 1.900 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.030 2.406 3.958 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.345 4.773 2.477 1.00 0.00 C ATOM 779 CE2 PHE A 238 10.667 3.518 4.537 1.00 0.00 C ATOM 780 CZ PHE A 238 10.832 4.698 3.794 1.00 0.00 C ATOM 0 H PHE A 238 7.055 0.288 4.023 1.00 0.00 H new ATOM 0 HA PHE A 238 6.900 2.074 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.309 0.362 2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.112 1.248 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.329 3.725 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 238 9.911 1.497 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.464 5.683 1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.029 3.464 5.553 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.333 5.548 4.234 1.00 0.00 H new ATOM 790 N CYS A 239 6.347 0.073 0.244 1.00 0.00 N ATOM 791 CA CYS A 239 5.904 -1.036 -0.591 1.00 0.00 C ATOM 792 C CYS A 239 7.084 -1.912 -1.048 1.00 0.00 C ATOM 793 O CYS A 239 8.227 -1.469 -0.942 1.00 0.00 O ATOM 794 CB CYS A 239 5.083 -0.436 -1.735 1.00 0.00 C ATOM 795 SG CYS A 239 6.097 0.378 -2.993 1.00 0.00 S ATOM 0 H CYS A 239 6.267 0.980 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 239 5.272 -1.727 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.497 -1.226 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.376 0.285 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 239 5.330 0.850 -3.930 1.00 0.00 H new ATOM 801 N PRO A 240 6.846 -3.133 -1.576 1.00 0.00 N ATOM 802 CA PRO A 240 7.898 -4.051 -2.027 1.00 0.00 C ATOM 803 C PRO A 240 8.567 -3.621 -3.352 1.00 0.00 C ATOM 804 O PRO A 240 9.041 -4.469 -4.108 1.00 0.00 O ATOM 805 CB PRO A 240 7.216 -5.427 -2.094 1.00 0.00 C ATOM 806 CG PRO A 240 5.773 -5.084 -2.446 1.00 0.00 C ATOM 807 CD PRO A 240 5.545 -3.792 -1.667 1.00 0.00 C ATOM 0 HA PRO A 240 8.743 -4.061 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 240 7.673 -6.067 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 240 7.284 -5.957 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 240 5.639 -4.941 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 240 5.082 -5.870 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.821 -3.155 -2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 240 5.145 -4.002 -0.675 1.00 0.00 H new ATOM 815 N ARG A 241 8.619 -2.308 -3.632 1.00 0.00 N ATOM 816 CA ARG A 241 9.302 -1.706 -4.779 1.00 0.00 C ATOM 817 C ARG A 241 10.095 -0.474 -4.332 1.00 0.00 C ATOM 818 O ARG A 241 11.179 -0.220 -4.848 1.00 0.00 O ATOM 819 CB ARG A 241 8.288 -1.306 -5.868 1.00 0.00 C ATOM 820 CG ARG A 241 7.492 -2.464 -6.493 1.00 0.00 C ATOM 821 CD ARG A 241 8.379 -3.428 -7.293 1.00 0.00 C ATOM 822 NE ARG A 241 7.575 -4.458 -7.969 1.00 0.00 N ATOM 823 CZ ARG A 241 7.139 -5.607 -7.428 1.00 0.00 C ATOM 824 NH1 ARG A 241 7.420 -5.951 -6.169 1.00 0.00 N ATOM 825 NH2 ARG A 241 6.400 -6.433 -8.169 1.00 0.00 N ATOM 0 H ARG A 241 8.167 -1.613 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 241 9.988 -2.444 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.583 -0.594 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.822 -0.785 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 241 6.982 -3.016 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.721 -2.058 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 241 8.953 -2.869 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 241 9.097 -3.904 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 241 7.325 -4.282 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.983 -5.333 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.072 -6.832 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 241 6.173 -6.188 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.062 -7.309 -7.772 1.00 0.00 H new ATOM 839 N CYS A 242 9.574 0.254 -3.337 1.00 0.00 N ATOM 840 CA CYS A 242 10.223 1.326 -2.628 1.00 0.00 C ATOM 841 C CYS A 242 11.216 0.803 -1.577 1.00 0.00 C ATOM 842 O CYS A 242 12.235 1.445 -1.330 1.00 0.00 O ATOM 843 CB CYS A 242 9.075 2.072 -1.964 1.00 0.00 C ATOM 844 SG CYS A 242 8.273 3.179 -3.161 1.00 0.00 S ATOM 0 H CYS A 242 8.627 0.087 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 242 10.815 1.955 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.348 1.361 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.447 2.648 -1.117 1.00 0.00 H new ATOM 0 HG CYS A 242 7.174 2.632 -3.589 1.00 0.00 H new