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 -179:sc= 0.00348 USER MOD Set 1.2: A 217 CYS SG : rot 130:sc= 0.469 USER MOD Set 1.3: A 239 CYS SG : rot 179:sc= 0.287 USER MOD Set 1.4: A 242 CYS SG : rot 101:sc= 1.19 USER MOD Set 2.1: A 199 CYS SG : rot -110:sc= 1.05! USER MOD Set 2.2: A 201 CYS SG : rot 70:sc= 1.21 USER MOD Set 2.3: A 206 TYR OH : rot 175:sc= 0.0319 USER MOD Set 2.4: A 223 HIS : no HD1:sc= -0.603 X(o=3.6,f=3.4) USER MOD Set 2.5: A 226 CYS SG : rot 84:sc= 1.87 USER MOD Single : A 197 THR OG1 : rot 21:sc= 0.151 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.25) USER MOD Single : A 203 GLN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 209 MET CE :methyl -178:sc= 0 (180deg=-0.00563) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N THR A 197 -8.205 2.716 -8.667 1.00 0.00 N ATOM 149 CA THR A 197 -7.465 1.463 -8.549 1.00 0.00 C ATOM 150 C THR A 197 -5.966 1.780 -8.490 1.00 0.00 C ATOM 151 O THR A 197 -5.495 2.598 -9.284 1.00 0.00 O ATOM 152 CB THR A 197 -7.753 0.557 -9.760 1.00 0.00 C ATOM 153 OG1 THR A 197 -7.349 1.140 -10.982 1.00 0.00 O ATOM 154 CG2 THR A 197 -9.227 0.162 -9.917 1.00 0.00 C ATOM 0 HA THR A 197 -7.775 0.942 -7.643 1.00 0.00 H new ATOM 0 HB THR A 197 -7.167 -0.336 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 197 -6.678 1.832 -10.808 1.00 0.00 H new ATOM 0 HG21 THR A 197 -9.341 -0.476 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 197 -9.555 -0.379 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 197 -9.833 1.060 -10.040 1.00 0.00 H new ATOM 162 N TYR A 198 -5.210 1.142 -7.573 1.00 0.00 N ATOM 163 CA TYR A 198 -3.762 1.385 -7.472 1.00 0.00 C ATOM 164 C TYR A 198 -2.952 0.252 -6.820 1.00 0.00 C ATOM 165 O TYR A 198 -1.857 0.012 -7.329 1.00 0.00 O ATOM 166 CB TYR A 198 -3.397 2.698 -6.751 1.00 0.00 C ATOM 167 CG TYR A 198 -4.192 3.959 -7.056 1.00 0.00 C ATOM 168 CD1 TYR A 198 -5.451 4.174 -6.459 1.00 0.00 C ATOM 169 CD2 TYR A 198 -3.667 4.926 -7.937 1.00 0.00 C ATOM 170 CE1 TYR A 198 -6.190 5.333 -6.747 1.00 0.00 C ATOM 171 CE2 TYR A 198 -4.399 6.091 -8.231 1.00 0.00 C ATOM 172 CZ TYR A 198 -5.667 6.297 -7.638 1.00 0.00 C ATOM 173 OH TYR A 198 -6.386 7.420 -7.924 1.00 0.00 O ATOM 0 H TYR A 198 -5.574 0.465 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 198 -3.480 1.449 -8.523 1.00 0.00 H new ATOM 0 HB2 TYR A 198 -3.471 2.515 -5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 198 -2.350 2.910 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 198 -5.851 3.441 -5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 198 -2.698 4.772 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -7.156 5.487 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -3.993 6.827 -8.909 1.00 0.00 H new ATOM 0 HH TYR A 198 -5.883 7.979 -8.552 1.00 0.00 H new ATOM 183 N CYS A 199 -3.417 -0.450 -5.753 1.00 0.00 N ATOM 184 CA CYS A 199 -2.688 -1.646 -5.277 1.00 0.00 C ATOM 185 C CYS A 199 -2.428 -2.660 -6.401 1.00 0.00 C ATOM 186 O CYS A 199 -2.957 -2.577 -7.511 1.00 0.00 O ATOM 187 CB CYS A 199 -3.272 -2.380 -4.038 1.00 0.00 C ATOM 188 SG CYS A 199 -1.826 -2.992 -3.095 1.00 0.00 S ATOM 0 H CYS A 199 -4.260 -0.218 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 199 -1.750 -1.211 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -3.877 -1.705 -3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -3.919 -3.203 -4.340 1.00 0.00 H new ATOM 0 HG CYS A 199 -1.771 -4.288 -3.178 1.00 0.00 H new ATOM 193 N LEU A 200 -1.662 -3.685 -6.036 1.00 0.00 N ATOM 194 CA LEU A 200 -1.400 -4.879 -6.834 1.00 0.00 C ATOM 195 C LEU A 200 -2.693 -5.670 -7.093 1.00 0.00 C ATOM 196 O LEU A 200 -2.681 -6.640 -7.847 1.00 0.00 O ATOM 197 CB LEU A 200 -0.369 -5.782 -6.122 1.00 0.00 C ATOM 198 CG LEU A 200 0.777 -5.052 -5.391 1.00 0.00 C ATOM 199 CD1 LEU A 200 1.667 -6.065 -4.659 1.00 0.00 C ATOM 200 CD2 LEU A 200 1.638 -4.201 -6.339 1.00 0.00 C ATOM 0 H LEU A 200 -1.185 -3.706 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 200 -0.996 -4.557 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -0.897 -6.403 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 200 0.068 -6.454 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 200 0.313 -4.374 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 200 2.472 -5.538 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 200 1.070 -6.613 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 200 2.091 -6.764 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 200 2.428 -3.710 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 200 2.083 -4.842 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.014 -3.447 -6.819 1.00 0.00 H new ATOM 212 N CYS A 201 -3.796 -5.248 -6.458 1.00 0.00 N ATOM 213 CA CYS A 201 -5.108 -5.821 -6.568 1.00 0.00 C ATOM 214 C CYS A 201 -6.009 -5.055 -7.546 1.00 0.00 C ATOM 215 O CYS A 201 -7.093 -5.542 -7.864 1.00 0.00 O ATOM 216 CB CYS A 201 -5.713 -5.713 -5.179 1.00 0.00 C ATOM 217 SG CYS A 201 -4.936 -6.863 -4.015 1.00 0.00 S ATOM 0 H CYS A 201 -3.775 -4.451 -5.822 1.00 0.00 H new ATOM 0 HA CYS A 201 -5.032 -6.842 -6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -5.600 -4.693 -4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -6.783 -5.917 -5.232 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.717 -6.480 -3.775 1.00 0.00 H new ATOM 222 N HIS A 202 -5.569 -3.860 -7.976 1.00 0.00 N ATOM 223 CA HIS A 202 -6.280 -2.905 -8.817 1.00 0.00 C ATOM 224 C HIS A 202 -7.733 -2.692 -8.363 1.00 0.00 C ATOM 225 O HIS A 202 -8.665 -2.772 -9.161 1.00 0.00 O ATOM 226 CB HIS A 202 -6.080 -3.220 -10.312 1.00 0.00 C ATOM 227 CG HIS A 202 -6.547 -4.587 -10.756 1.00 0.00 C ATOM 228 ND1 HIS A 202 -7.844 -4.961 -11.022 1.00 0.00 N ATOM 229 CD2 HIS A 202 -5.762 -5.692 -10.950 1.00 0.00 C ATOM 230 CE1 HIS A 202 -7.834 -6.263 -11.359 1.00 0.00 C ATOM 231 NE2 HIS A 202 -6.586 -6.757 -11.331 1.00 0.00 N ATOM 0 H HIS A 202 -4.641 -3.520 -7.723 1.00 0.00 H new ATOM 0 HA HIS A 202 -5.832 -1.920 -8.683 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -6.607 -2.467 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -5.020 -3.123 -10.547 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -4.690 -5.734 -10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -8.713 -6.835 -11.618 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -6.298 -7.712 -11.544 1.00 0.00 H new ATOM 239 N GLN A 203 -7.909 -2.449 -7.056 1.00 0.00 N ATOM 240 CA GLN A 203 -9.179 -2.141 -6.419 1.00 0.00 C ATOM 241 C GLN A 203 -8.873 -1.546 -5.045 1.00 0.00 C ATOM 242 O GLN A 203 -7.876 -1.911 -4.428 1.00 0.00 O ATOM 243 CB GLN A 203 -10.063 -3.400 -6.299 1.00 0.00 C ATOM 244 CG GLN A 203 -9.493 -4.470 -5.354 1.00 0.00 C ATOM 245 CD GLN A 203 -10.170 -5.824 -5.540 1.00 0.00 C ATOM 246 OE1 GLN A 203 -11.074 -6.182 -4.792 1.00 0.00 O ATOM 247 NE2 GLN A 203 -9.729 -6.591 -6.537 1.00 0.00 N ATOM 0 H GLN A 203 -7.133 -2.465 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 203 -9.740 -1.427 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -11.052 -3.106 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 203 -10.195 -3.836 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -8.422 -4.574 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -9.616 -4.143 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -8.975 -6.261 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -10.145 -7.508 -6.697 1.00 0.00 H new ATOM 256 N VAL A 204 -9.752 -0.652 -4.593 1.00 0.00 N ATOM 257 CA VAL A 204 -9.713 0.066 -3.303 1.00 0.00 C ATOM 258 C VAL A 204 -11.102 0.038 -2.621 1.00 0.00 C ATOM 259 O VAL A 204 -12.078 -0.420 -3.215 1.00 0.00 O ATOM 260 CB VAL A 204 -9.135 1.506 -3.445 1.00 0.00 C ATOM 261 CG1 VAL A 204 -8.416 1.954 -2.149 1.00 0.00 C ATOM 262 CG2 VAL A 204 -8.139 1.648 -4.607 1.00 0.00 C ATOM 0 H VAL A 204 -10.566 -0.387 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 204 -9.020 -0.460 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 204 -10.000 2.139 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 204 -8.024 2.963 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 204 -9.123 1.945 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 204 -7.595 1.271 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 204 -7.774 2.674 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 204 -7.299 0.971 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 204 -8.636 1.400 -5.545 1.00 0.00 H new ATOM 272 N SER A 205 -11.178 0.510 -1.363 1.00 0.00 N ATOM 273 CA SER A 205 -12.354 0.485 -0.481 1.00 0.00 C ATOM 274 C SER A 205 -12.801 -0.942 -0.100 1.00 0.00 C ATOM 275 O SER A 205 -13.907 -1.371 -0.430 1.00 0.00 O ATOM 276 CB SER A 205 -13.473 1.378 -1.039 1.00 0.00 C ATOM 277 OG SER A 205 -14.494 1.542 -0.078 1.00 0.00 O ATOM 0 H SER A 205 -10.373 0.943 -0.911 1.00 0.00 H new ATOM 0 HA SER A 205 -12.063 0.921 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 205 -13.067 2.350 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 205 -13.885 0.933 -1.945 1.00 0.00 H new ATOM 0 HG SER A 205 -15.200 2.114 -0.445 1.00 0.00 H new ATOM 283 N TYR A 206 -11.908 -1.678 0.579 1.00 0.00 N ATOM 284 CA TYR A 206 -12.052 -3.085 0.961 1.00 0.00 C ATOM 285 C TYR A 206 -11.049 -3.392 2.084 1.00 0.00 C ATOM 286 O TYR A 206 -9.836 -3.385 1.868 1.00 0.00 O ATOM 287 CB TYR A 206 -11.863 -4.038 -0.248 1.00 0.00 C ATOM 288 CG TYR A 206 -10.481 -4.113 -0.896 1.00 0.00 C ATOM 289 CD1 TYR A 206 -9.794 -2.932 -1.224 1.00 0.00 C ATOM 290 CD2 TYR A 206 -9.864 -5.355 -1.168 1.00 0.00 C ATOM 291 CE1 TYR A 206 -8.509 -2.974 -1.748 1.00 0.00 C ATOM 292 CE2 TYR A 206 -8.578 -5.405 -1.753 1.00 0.00 C ATOM 293 CZ TYR A 206 -7.895 -4.200 -2.037 1.00 0.00 C ATOM 294 OH TYR A 206 -6.664 -4.146 -2.617 1.00 0.00 O ATOM 0 H TYR A 206 -11.020 -1.284 0.891 1.00 0.00 H new ATOM 0 HA TYR A 206 -13.067 -3.255 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 206 -12.135 -5.043 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 206 -12.577 -3.746 -1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 206 -10.273 -1.977 -1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 206 -10.379 -6.273 -0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 206 -7.977 -2.053 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 206 -8.121 -6.356 -1.981 1.00 0.00 H new ATOM 0 HH TYR A 206 -6.301 -5.052 -2.698 1.00 0.00 H new ATOM 304 N GLY A 207 -11.564 -3.634 3.298 1.00 0.00 N ATOM 305 CA GLY A 207 -10.776 -3.837 4.492 1.00 0.00 C ATOM 306 C GLY A 207 -9.926 -2.620 4.847 1.00 0.00 C ATOM 307 O GLY A 207 -10.131 -1.497 4.385 1.00 0.00 O ATOM 0 H GLY A 207 -12.568 -3.693 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -11.439 -4.068 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -10.127 -4.701 4.352 1.00 0.00 H new ATOM 311 N GLU A 208 -8.960 -2.916 5.703 1.00 0.00 N ATOM 312 CA GLU A 208 -7.843 -2.057 6.082 1.00 0.00 C ATOM 313 C GLU A 208 -6.906 -1.804 4.884 1.00 0.00 C ATOM 314 O GLU A 208 -6.746 -2.651 4.004 1.00 0.00 O ATOM 315 CB GLU A 208 -7.109 -2.637 7.309 1.00 0.00 C ATOM 316 CG GLU A 208 -6.824 -4.151 7.294 1.00 0.00 C ATOM 317 CD GLU A 208 -8.019 -4.996 7.746 1.00 0.00 C ATOM 318 OE1 GLU A 208 -8.288 -5.003 8.967 1.00 0.00 O ATOM 319 OE2 GLU A 208 -8.649 -5.619 6.861 1.00 0.00 O ATOM 0 H GLU A 208 -8.931 -3.816 6.182 1.00 0.00 H new ATOM 0 HA GLU A 208 -8.230 -1.082 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 208 -6.159 -2.113 7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 208 -7.700 -2.411 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 208 -6.537 -4.450 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 208 -5.974 -4.360 7.943 1.00 0.00 H new ATOM 326 N MET A 209 -6.305 -0.605 4.854 1.00 0.00 N ATOM 327 CA MET A 209 -5.568 -0.032 3.720 1.00 0.00 C ATOM 328 C MET A 209 -4.448 0.878 4.237 1.00 0.00 C ATOM 329 O MET A 209 -4.557 1.423 5.337 1.00 0.00 O ATOM 330 CB MET A 209 -6.561 0.780 2.864 1.00 0.00 C ATOM 331 CG MET A 209 -7.658 -0.103 2.246 1.00 0.00 C ATOM 332 SD MET A 209 -8.763 0.708 1.067 1.00 0.00 S ATOM 333 CE MET A 209 -9.670 1.816 2.177 1.00 0.00 C ATOM 0 H MET A 209 -6.321 0.021 5.659 1.00 0.00 H new ATOM 0 HA MET A 209 -5.118 -0.823 3.120 1.00 0.00 H new ATOM 0 HB2 MET A 209 -7.023 1.551 3.481 1.00 0.00 H new ATOM 0 HB3 MET A 209 -6.018 1.291 2.069 1.00 0.00 H new ATOM 0 HG2 MET A 209 -7.179 -0.944 1.745 1.00 0.00 H new ATOM 0 HG3 MET A 209 -8.262 -0.516 3.054 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.420 2.366 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 209 -10.161 1.230 2.955 1.00 0.00 H new ATOM 0 HE3 MET A 209 -8.975 2.519 2.636 1.00 0.00 H new ATOM 343 N ILE A 210 -3.375 1.049 3.446 1.00 0.00 N ATOM 344 CA ILE A 210 -2.175 1.774 3.848 1.00 0.00 C ATOM 345 C ILE A 210 -1.722 2.645 2.670 1.00 0.00 C ATOM 346 O ILE A 210 -2.537 3.346 2.071 1.00 0.00 O ATOM 347 CB ILE A 210 -1.131 0.794 4.477 1.00 0.00 C ATOM 348 CG1 ILE A 210 0.020 1.463 5.269 1.00 0.00 C ATOM 349 CG2 ILE A 210 -0.570 -0.309 3.558 1.00 0.00 C ATOM 350 CD1 ILE A 210 -0.452 2.260 6.492 1.00 0.00 C ATOM 0 H ILE A 210 -3.324 0.679 2.497 1.00 0.00 H new ATOM 0 HA ILE A 210 -2.353 2.478 4.661 1.00 0.00 H new ATOM 0 HB ILE A 210 -1.778 0.289 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.719 0.693 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 210 0.568 2.129 4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.142 -0.919 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -1.387 -0.937 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.068 0.148 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.410 2.699 6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.127 3.053 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.974 1.595 7.180 1.00 0.00 H new ATOM 362 N GLY A 211 -0.426 2.639 2.378 1.00 0.00 N ATOM 363 CA GLY A 211 0.246 3.527 1.458 1.00 0.00 C ATOM 364 C GLY A 211 1.685 3.798 1.849 1.00 0.00 C ATOM 365 O GLY A 211 1.981 4.119 2.999 1.00 0.00 O ATOM 0 H GLY A 211 0.215 1.971 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 211 0.221 3.094 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 211 -0.297 4.471 1.410 1.00 0.00 H new ATOM 369 N CYS A 212 2.562 3.668 0.846 1.00 0.00 N ATOM 370 CA CYS A 212 3.984 3.962 0.966 1.00 0.00 C ATOM 371 C CYS A 212 4.153 5.454 1.250 1.00 0.00 C ATOM 372 O CYS A 212 3.665 6.291 0.490 1.00 0.00 O ATOM 373 CB CYS A 212 4.771 3.519 -0.281 1.00 0.00 C ATOM 374 SG CYS A 212 6.527 3.945 -0.061 1.00 0.00 S ATOM 0 H CYS A 212 2.293 3.350 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 212 4.400 3.390 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 212 4.661 2.445 -0.433 1.00 0.00 H new ATOM 0 HB3 CYS A 212 4.374 4.009 -1.170 1.00 0.00 H new ATOM 0 HG CYS A 212 7.195 3.590 -1.118 1.00 0.00 H new ATOM 379 N ASP A 213 4.866 5.760 2.342 1.00 0.00 N ATOM 380 CA ASP A 213 5.164 7.110 2.808 1.00 0.00 C ATOM 381 C ASP A 213 6.077 7.901 1.843 1.00 0.00 C ATOM 382 O ASP A 213 6.391 9.054 2.135 1.00 0.00 O ATOM 383 CB ASP A 213 5.793 7.024 4.210 1.00 0.00 C ATOM 384 CG ASP A 213 4.844 6.530 5.309 1.00 0.00 C ATOM 385 OD1 ASP A 213 4.364 5.381 5.202 1.00 0.00 O ATOM 386 OD2 ASP A 213 4.665 7.292 6.285 1.00 0.00 O ATOM 0 H ASP A 213 5.265 5.041 2.945 1.00 0.00 H new ATOM 0 HA ASP A 213 4.226 7.664 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 213 6.655 6.358 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 213 6.166 8.010 4.487 1.00 0.00 H new ATOM 391 N ASP A 214 6.506 7.309 0.714 1.00 0.00 N ATOM 392 CA ASP A 214 7.170 8.003 -0.380 1.00 0.00 C ATOM 393 C ASP A 214 6.122 8.847 -1.130 1.00 0.00 C ATOM 394 O ASP A 214 5.203 8.265 -1.713 1.00 0.00 O ATOM 395 CB ASP A 214 7.793 6.948 -1.310 1.00 0.00 C ATOM 396 CG ASP A 214 8.481 7.519 -2.551 1.00 0.00 C ATOM 397 OD1 ASP A 214 8.905 8.695 -2.503 1.00 0.00 O ATOM 398 OD2 ASP A 214 8.571 6.753 -3.535 1.00 0.00 O ATOM 0 H ASP A 214 6.393 6.310 0.543 1.00 0.00 H new ATOM 0 HA ASP A 214 7.956 8.664 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 214 8.520 6.367 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 214 7.012 6.258 -1.629 1.00 0.00 H new ATOM 403 N PRO A 215 6.236 10.192 -1.158 1.00 0.00 N ATOM 404 CA PRO A 215 5.305 11.062 -1.877 1.00 0.00 C ATOM 405 C PRO A 215 5.541 11.078 -3.398 1.00 0.00 C ATOM 406 O PRO A 215 4.854 11.809 -4.110 1.00 0.00 O ATOM 407 CB PRO A 215 5.511 12.447 -1.257 1.00 0.00 C ATOM 408 CG PRO A 215 7.004 12.442 -0.934 1.00 0.00 C ATOM 409 CD PRO A 215 7.256 10.998 -0.501 1.00 0.00 C ATOM 0 HA PRO A 215 4.280 10.707 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 215 5.248 13.246 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.902 12.587 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 215 7.606 12.714 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 215 7.248 13.150 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 215 8.255 10.673 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 215 7.191 10.900 0.583 1.00 0.00 H new ATOM 417 N ASP A 216 6.479 10.256 -3.887 1.00 0.00 N ATOM 418 CA ASP A 216 6.776 10.046 -5.299 1.00 0.00 C ATOM 419 C ASP A 216 6.445 8.600 -5.711 1.00 0.00 C ATOM 420 O ASP A 216 6.687 8.224 -6.858 1.00 0.00 O ATOM 421 CB ASP A 216 8.245 10.427 -5.555 1.00 0.00 C ATOM 422 CG ASP A 216 8.583 10.549 -7.044 1.00 0.00 C ATOM 423 OD1 ASP A 216 7.955 11.404 -7.705 1.00 0.00 O ATOM 424 OD2 ASP A 216 9.478 9.799 -7.494 1.00 0.00 O ATOM 0 H ASP A 216 7.075 9.697 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 216 6.151 10.685 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.460 11.375 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 216 8.893 9.677 -5.102 1.00 0.00 H new ATOM 429 N CYS A 217 5.859 7.795 -4.803 1.00 0.00 N ATOM 430 CA CYS A 217 5.343 6.474 -5.131 1.00 0.00 C ATOM 431 C CYS A 217 4.269 6.575 -6.226 1.00 0.00 C ATOM 432 O CYS A 217 3.318 7.348 -6.113 1.00 0.00 O ATOM 433 CB CYS A 217 4.761 5.848 -3.868 1.00 0.00 C ATOM 434 SG CYS A 217 4.161 4.174 -4.198 1.00 0.00 S ATOM 0 H CYS A 217 5.736 8.053 -3.824 1.00 0.00 H new ATOM 0 HA CYS A 217 6.151 5.848 -5.511 1.00 0.00 H new ATOM 0 HB2 CYS A 217 5.521 5.819 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.944 6.465 -3.494 1.00 0.00 H new ATOM 0 HG CYS A 217 4.642 3.357 -3.308 1.00 0.00 H new ATOM 440 N SER A 218 4.429 5.746 -7.262 1.00 0.00 N ATOM 441 CA SER A 218 3.591 5.706 -8.467 1.00 0.00 C ATOM 442 C SER A 218 2.204 5.075 -8.241 1.00 0.00 C ATOM 443 O SER A 218 1.435 4.941 -9.192 1.00 0.00 O ATOM 444 CB SER A 218 4.330 4.933 -9.570 1.00 0.00 C ATOM 445 OG SER A 218 5.590 5.514 -9.840 1.00 0.00 O ATOM 0 H SER A 218 5.178 5.054 -7.286 1.00 0.00 H new ATOM 0 HA SER A 218 3.414 6.741 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 218 4.462 3.895 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 218 3.728 4.924 -10.478 1.00 0.00 H new ATOM 0 HG SER A 218 6.042 5.003 -10.544 1.00 0.00 H new ATOM 451 N ILE A 219 1.898 4.670 -7.000 1.00 0.00 N ATOM 452 CA ILE A 219 0.708 3.912 -6.609 1.00 0.00 C ATOM 453 C ILE A 219 0.071 4.527 -5.345 1.00 0.00 C ATOM 454 O ILE A 219 -1.154 4.532 -5.232 1.00 0.00 O ATOM 455 CB ILE A 219 1.119 2.423 -6.448 1.00 0.00 C ATOM 456 CG1 ILE A 219 1.165 1.730 -7.831 1.00 0.00 C ATOM 457 CG2 ILE A 219 0.211 1.671 -5.466 1.00 0.00 C ATOM 458 CD1 ILE A 219 1.733 0.303 -7.812 1.00 0.00 C ATOM 0 H ILE A 219 2.505 4.874 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 219 -0.067 3.962 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 219 2.119 2.398 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 219 0.156 1.700 -8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 219 1.766 2.337 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.539 0.634 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.265 2.144 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.817 1.700 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 219 1.727 -0.104 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 219 2.755 0.323 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.120 -0.324 -7.165 1.00 0.00 H new ATOM 470 N GLU A 220 0.896 5.092 -4.449 1.00 0.00 N ATOM 471 CA GLU A 220 0.548 5.879 -3.259 1.00 0.00 C ATOM 472 C GLU A 220 -0.105 5.094 -2.103 1.00 0.00 C ATOM 473 O GLU A 220 0.238 5.360 -0.954 1.00 0.00 O ATOM 474 CB GLU A 220 -0.192 7.177 -3.675 1.00 0.00 C ATOM 475 CG GLU A 220 -1.637 7.365 -3.175 1.00 0.00 C ATOM 476 CD GLU A 220 -1.732 7.766 -1.697 1.00 0.00 C ATOM 477 OE1 GLU A 220 -1.068 8.758 -1.323 1.00 0.00 O ATOM 478 OE2 GLU A 220 -2.485 7.088 -0.966 1.00 0.00 O ATOM 0 H GLU A 220 1.907 5.001 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 220 1.488 6.174 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 220 0.397 8.026 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 220 -0.205 7.222 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 220 -2.125 8.128 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 220 -2.188 6.437 -3.326 1.00 0.00 H new ATOM 485 N TRP A 221 -0.972 4.111 -2.387 1.00 0.00 N ATOM 486 CA TRP A 221 -1.729 3.314 -1.419 1.00 0.00 C ATOM 487 C TRP A 221 -1.556 1.827 -1.753 1.00 0.00 C ATOM 488 O TRP A 221 -1.425 1.445 -2.914 1.00 0.00 O ATOM 489 CB TRP A 221 -3.196 3.757 -1.380 1.00 0.00 C ATOM 490 CG TRP A 221 -4.115 2.854 -2.091 1.00 0.00 C ATOM 491 CD1 TRP A 221 -4.453 2.933 -3.385 1.00 0.00 C ATOM 492 CD2 TRP A 221 -4.668 1.619 -1.580 1.00 0.00 C ATOM 493 NE1 TRP A 221 -5.096 1.770 -3.744 1.00 0.00 N ATOM 494 CE2 TRP A 221 -5.215 0.902 -2.676 1.00 0.00 C ATOM 495 CE3 TRP A 221 -4.656 0.999 -0.316 1.00 0.00 C ATOM 496 CZ2 TRP A 221 -5.702 -0.402 -2.529 1.00 0.00 C ATOM 497 CZ3 TRP A 221 -5.194 -0.287 -0.155 1.00 0.00 C ATOM 498 CH2 TRP A 221 -5.681 -0.999 -1.258 1.00 0.00 C ATOM 0 H TRP A 221 -1.172 3.839 -3.349 1.00 0.00 H new ATOM 0 HA TRP A 221 -1.343 3.475 -0.412 1.00 0.00 H new ATOM 0 HB2 TRP A 221 -3.513 3.836 -0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 221 -3.275 4.754 -1.814 1.00 0.00 H new ATOM 0 HD1 TRP A 221 -4.254 3.770 -4.038 1.00 0.00 H new ATOM 0 HE1 TRP A 221 -5.442 1.573 -4.683 1.00 0.00 H new ATOM 0 HE3 TRP A 221 -4.231 1.515 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 -6.088 -0.941 -3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 -5.233 -0.732 0.828 1.00 0.00 H new ATOM 0 HH2 TRP A 221 -6.041 -2.009 -1.131 1.00 0.00 H new ATOM 509 N PHE A 222 -1.590 0.980 -0.722 1.00 0.00 N ATOM 510 CA PHE A 222 -1.346 -0.457 -0.840 1.00 0.00 C ATOM 511 C PHE A 222 -2.193 -1.184 0.186 1.00 0.00 C ATOM 512 O PHE A 222 -2.558 -0.625 1.217 1.00 0.00 O ATOM 513 CB PHE A 222 0.125 -0.790 -0.560 1.00 0.00 C ATOM 514 CG PHE A 222 1.078 -0.300 -1.621 1.00 0.00 C ATOM 515 CD1 PHE A 222 1.528 1.029 -1.577 1.00 0.00 C ATOM 516 CD2 PHE A 222 1.473 -1.147 -2.673 1.00 0.00 C ATOM 517 CE1 PHE A 222 2.346 1.530 -2.594 1.00 0.00 C ATOM 518 CE2 PHE A 222 2.318 -0.657 -3.680 1.00 0.00 C ATOM 519 CZ PHE A 222 2.753 0.679 -3.636 1.00 0.00 C ATOM 0 H PHE A 222 -1.791 1.279 0.232 1.00 0.00 H new ATOM 0 HA PHE A 222 -1.598 -0.766 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.409 -0.355 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 222 0.230 -1.871 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.241 1.667 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 222 1.127 -2.170 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 222 2.663 2.562 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 222 2.633 -1.304 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 222 3.406 1.055 -4.410 1.00 0.00 H new ATOM 529 N HIS A 223 -2.493 -2.449 -0.100 1.00 0.00 N ATOM 530 CA HIS A 223 -3.363 -3.245 0.734 1.00 0.00 C ATOM 531 C HIS A 223 -2.577 -3.814 1.911 1.00 0.00 C ATOM 532 O HIS A 223 -1.422 -4.215 1.774 1.00 0.00 O ATOM 533 CB HIS A 223 -4.018 -4.315 -0.143 1.00 0.00 C ATOM 534 CG HIS A 223 -5.257 -4.951 0.424 1.00 0.00 C ATOM 535 ND1 HIS A 223 -5.658 -6.255 0.143 1.00 0.00 N ATOM 536 CD2 HIS A 223 -6.206 -4.341 1.198 1.00 0.00 C ATOM 537 CE1 HIS A 223 -6.821 -6.414 0.797 1.00 0.00 C ATOM 538 NE2 HIS A 223 -7.177 -5.282 1.430 1.00 0.00 N ATOM 0 H HIS A 223 -2.135 -2.942 -0.918 1.00 0.00 H new ATOM 0 HA HIS A 223 -4.160 -2.643 1.172 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -4.269 -3.867 -1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -3.285 -5.098 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -6.193 -3.322 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 223 -7.394 -7.329 0.812 1.00 0.00 H new ATOM 0 HE2 HIS A 223 -8.022 -5.147 1.986 1.00 0.00 H new ATOM 546 N PHE A 224 -3.252 -3.872 3.060 1.00 0.00 N ATOM 547 CA PHE A 224 -2.810 -4.554 4.281 1.00 0.00 C ATOM 548 C PHE A 224 -2.554 -6.060 4.094 1.00 0.00 C ATOM 549 O PHE A 224 -2.026 -6.686 5.007 1.00 0.00 O ATOM 550 CB PHE A 224 -3.850 -4.340 5.392 1.00 0.00 C ATOM 551 CG PHE A 224 -3.474 -3.332 6.462 1.00 0.00 C ATOM 552 CD1 PHE A 224 -3.384 -1.962 6.150 1.00 0.00 C ATOM 553 CD2 PHE A 224 -3.293 -3.753 7.794 1.00 0.00 C ATOM 554 CE1 PHE A 224 -3.147 -1.023 7.169 1.00 0.00 C ATOM 555 CE2 PHE A 224 -3.054 -2.813 8.810 1.00 0.00 C ATOM 556 CZ PHE A 224 -2.988 -1.445 8.497 1.00 0.00 C ATOM 0 H PHE A 224 -4.162 -3.426 3.172 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.852 -4.112 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -4.785 -4.022 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -4.042 -5.299 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -3.497 -1.632 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -3.338 -4.805 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 224 -3.087 0.028 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 224 -2.921 -3.141 9.830 1.00 0.00 H new ATOM 0 HZ PHE A 224 -2.815 -0.719 9.278 1.00 0.00 H new ATOM 566 N ALA A 225 -2.883 -6.640 2.932 1.00 0.00 N ATOM 567 CA ALA A 225 -2.554 -8.008 2.576 1.00 0.00 C ATOM 568 C ALA A 225 -1.659 -8.090 1.331 1.00 0.00 C ATOM 569 O ALA A 225 -1.181 -9.179 1.016 1.00 0.00 O ATOM 570 CB ALA A 225 -3.845 -8.820 2.421 1.00 0.00 C ATOM 0 H ALA A 225 -3.399 -6.150 2.201 1.00 0.00 H new ATOM 0 HA ALA A 225 -1.965 -8.443 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.599 -9.848 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.395 -8.812 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.460 -8.379 1.637 1.00 0.00 H new ATOM 576 N CYS A 226 -1.373 -6.958 0.659 1.00 0.00 N ATOM 577 CA CYS A 226 -0.350 -6.890 -0.383 1.00 0.00 C ATOM 578 C CYS A 226 1.079 -6.808 0.186 1.00 0.00 C ATOM 579 O CYS A 226 2.043 -6.790 -0.579 1.00 0.00 O ATOM 580 CB CYS A 226 -0.665 -5.729 -1.305 1.00 0.00 C ATOM 581 SG CYS A 226 -1.830 -6.293 -2.573 1.00 0.00 S ATOM 0 H CYS A 226 -1.848 -6.071 0.828 1.00 0.00 H new ATOM 0 HA CYS A 226 -0.374 -7.819 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.094 -4.902 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.248 -5.357 -1.770 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.042 -6.235 -2.106 1.00 0.00 H new ATOM 587 N VAL A 227 1.205 -6.793 1.520 1.00 0.00 N ATOM 588 CA VAL A 227 2.452 -6.857 2.285 1.00 0.00 C ATOM 589 C VAL A 227 2.362 -7.863 3.451 1.00 0.00 C ATOM 590 O VAL A 227 3.373 -8.201 4.065 1.00 0.00 O ATOM 591 CB VAL A 227 2.842 -5.432 2.732 1.00 0.00 C ATOM 592 CG1 VAL A 227 1.701 -4.759 3.511 1.00 0.00 C ATOM 593 CG2 VAL A 227 4.155 -5.391 3.537 1.00 0.00 C ATOM 0 H VAL A 227 0.388 -6.732 2.128 1.00 0.00 H new ATOM 0 HA VAL A 227 3.251 -7.239 1.649 1.00 0.00 H new ATOM 0 HB VAL A 227 3.019 -4.865 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 227 2.007 -3.757 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 227 0.817 -4.693 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 227 1.469 -5.349 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 227 4.375 -4.362 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 227 4.051 -6.002 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 227 4.969 -5.780 2.925 1.00 0.00 H new ATOM 603 N GLY A 228 1.156 -8.371 3.732 1.00 0.00 N ATOM 604 CA GLY A 228 0.881 -9.294 4.829 1.00 0.00 C ATOM 605 C GLY A 228 0.913 -8.616 6.205 1.00 0.00 C ATOM 606 O GLY A 228 1.402 -9.219 7.159 1.00 0.00 O ATOM 0 H GLY A 228 0.326 -8.143 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -0.098 -9.749 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 228 1.614 -10.101 4.810 1.00 0.00 H new ATOM 610 N LEU A 229 0.431 -7.366 6.300 1.00 0.00 N ATOM 611 CA LEU A 229 0.308 -6.635 7.564 1.00 0.00 C ATOM 612 C LEU A 229 -0.806 -7.252 8.418 1.00 0.00 C ATOM 613 O LEU A 229 -1.990 -7.037 8.161 1.00 0.00 O ATOM 614 CB LEU A 229 0.030 -5.138 7.313 1.00 0.00 C ATOM 615 CG LEU A 229 1.283 -4.301 6.997 1.00 0.00 C ATOM 616 CD1 LEU A 229 0.849 -2.948 6.410 1.00 0.00 C ATOM 617 CD2 LEU A 229 2.167 -4.066 8.228 1.00 0.00 C ATOM 0 H LEU A 229 0.114 -6.832 5.491 1.00 0.00 H new ATOM 0 HA LEU A 229 1.253 -6.714 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -0.672 -5.046 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -0.459 -4.720 8.193 1.00 0.00 H new ATOM 0 HG LEU A 229 1.880 -4.863 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 229 1.732 -2.350 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 229 0.279 -3.114 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 229 0.228 -2.420 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.035 -3.471 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 229 1.596 -3.535 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 229 2.499 -5.025 8.626 1.00 0.00 H new ATOM 746 N TRP A 237 6.494 3.728 6.549 1.00 0.00 N ATOM 747 CA TRP A 237 6.327 2.431 5.895 1.00 0.00 C ATOM 748 C TRP A 237 6.686 2.558 4.407 1.00 0.00 C ATOM 749 O TRP A 237 6.661 3.650 3.836 1.00 0.00 O ATOM 750 CB TRP A 237 4.890 1.927 6.104 1.00 0.00 C ATOM 751 CG TRP A 237 4.548 0.591 5.498 1.00 0.00 C ATOM 752 CD1 TRP A 237 4.777 -0.620 6.055 1.00 0.00 C ATOM 753 CD2 TRP A 237 3.955 0.305 4.193 1.00 0.00 C ATOM 754 NE1 TRP A 237 4.382 -1.621 5.190 1.00 0.00 N ATOM 755 CE2 TRP A 237 3.883 -1.107 4.011 1.00 0.00 C ATOM 756 CE3 TRP A 237 3.519 1.107 3.122 1.00 0.00 C ATOM 757 CZ2 TRP A 237 3.407 -1.682 2.820 1.00 0.00 C ATOM 758 CZ3 TRP A 237 3.052 0.542 1.918 1.00 0.00 C ATOM 759 CH2 TRP A 237 2.974 -0.850 1.778 1.00 0.00 C ATOM 0 HA TRP A 237 6.999 1.696 6.337 1.00 0.00 H new ATOM 0 HB2 TRP A 237 4.701 1.873 7.176 1.00 0.00 H new ATOM 0 HB3 TRP A 237 4.206 2.671 5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 237 5.206 -0.780 7.033 1.00 0.00 H new ATOM 0 HE1 TRP A 237 4.451 -2.617 5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 237 3.543 2.182 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 3.375 -2.756 2.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 2.754 1.183 1.102 1.00 0.00 H new ATOM 0 HH2 TRP A 237 2.581 -1.281 0.869 1.00 0.00 H new ATOM 770 N PHE A 238 6.994 1.421 3.771 1.00 0.00 N ATOM 771 CA PHE A 238 7.347 1.339 2.360 1.00 0.00 C ATOM 772 C PHE A 238 6.698 0.100 1.743 1.00 0.00 C ATOM 773 O PHE A 238 6.665 -0.963 2.366 1.00 0.00 O ATOM 774 CB PHE A 238 8.872 1.240 2.207 1.00 0.00 C ATOM 775 CG PHE A 238 9.671 2.405 2.762 1.00 0.00 C ATOM 776 CD1 PHE A 238 9.806 3.593 2.019 1.00 0.00 C ATOM 777 CD2 PHE A 238 10.313 2.286 4.010 1.00 0.00 C ATOM 778 CE1 PHE A 238 10.592 4.649 2.513 1.00 0.00 C ATOM 779 CE2 PHE A 238 11.100 3.340 4.502 1.00 0.00 C ATOM 780 CZ PHE A 238 11.248 4.517 3.750 1.00 0.00 C ATOM 0 H PHE A 238 7.003 0.515 4.240 1.00 0.00 H new ATOM 0 HA PHE A 238 6.990 2.234 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 238 9.208 0.327 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 238 9.105 1.136 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 238 9.305 3.694 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 238 10.200 1.382 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 238 10.692 5.561 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 238 11.592 3.245 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 238 11.866 5.321 4.122 1.00 0.00 H new ATOM 790 N CYS A 239 6.224 0.226 0.495 1.00 0.00 N ATOM 791 CA CYS A 239 5.692 -0.886 -0.281 1.00 0.00 C ATOM 792 C CYS A 239 6.779 -1.908 -0.647 1.00 0.00 C ATOM 793 O CYS A 239 7.962 -1.583 -0.539 1.00 0.00 O ATOM 794 CB CYS A 239 4.954 -0.294 -1.484 1.00 0.00 C ATOM 795 SG CYS A 239 6.056 0.351 -2.766 1.00 0.00 S ATOM 0 H CYS A 239 6.202 1.116 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 239 4.984 -1.468 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 239 4.313 -1.061 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 239 4.302 0.509 -1.140 1.00 0.00 H new ATOM 0 HG CYS A 239 5.349 0.806 -3.758 1.00 0.00 H new ATOM 801 N PRO A 240 6.410 -3.126 -1.102 1.00 0.00 N ATOM 802 CA PRO A 240 7.355 -4.168 -1.511 1.00 0.00 C ATOM 803 C PRO A 240 8.048 -3.869 -2.863 1.00 0.00 C ATOM 804 O PRO A 240 8.336 -4.789 -3.629 1.00 0.00 O ATOM 805 CB PRO A 240 6.544 -5.472 -1.490 1.00 0.00 C ATOM 806 CG PRO A 240 5.136 -5.009 -1.841 1.00 0.00 C ATOM 807 CD PRO A 240 5.051 -3.662 -1.131 1.00 0.00 C ATOM 0 HA PRO A 240 8.205 -4.233 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 240 6.923 -6.194 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 240 6.578 -5.952 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 240 4.997 -4.911 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 240 4.378 -5.706 -1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 240 4.378 -2.986 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 240 4.658 -3.779 -0.121 1.00 0.00 H new ATOM 815 N ARG A 241 8.329 -2.587 -3.150 1.00 0.00 N ATOM 816 CA ARG A 241 9.159 -2.140 -4.267 1.00 0.00 C ATOM 817 C ARG A 241 10.069 -0.988 -3.825 1.00 0.00 C ATOM 818 O ARG A 241 11.233 -0.933 -4.217 1.00 0.00 O ATOM 819 CB ARG A 241 8.286 -1.693 -5.455 1.00 0.00 C ATOM 820 CG ARG A 241 7.424 -2.820 -6.052 1.00 0.00 C ATOM 821 CD ARG A 241 6.589 -2.342 -7.246 1.00 0.00 C ATOM 822 NE ARG A 241 7.430 -1.965 -8.395 1.00 0.00 N ATOM 823 CZ ARG A 241 6.989 -1.420 -9.538 1.00 0.00 C ATOM 824 NH1 ARG A 241 5.694 -1.168 -9.743 1.00 0.00 N ATOM 825 NH2 ARG A 241 7.865 -1.122 -10.499 1.00 0.00 N ATOM 0 H ARG A 241 7.971 -1.814 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 241 9.776 -2.979 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 241 7.633 -0.883 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 241 8.931 -1.289 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 241 8.069 -3.640 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 241 6.761 -3.214 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.900 -3.132 -7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 241 5.983 -1.487 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 241 8.433 -2.133 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.010 -1.391 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.388 -0.753 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 241 8.858 -1.309 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.542 -0.707 -11.373 1.00 0.00 H new ATOM 839 N CYS A 242 9.545 -0.104 -2.967 1.00 0.00 N ATOM 840 CA CYS A 242 10.236 0.973 -2.303 1.00 0.00 C ATOM 841 C CYS A 242 11.173 0.462 -1.199 1.00 0.00 C ATOM 842 O CYS A 242 12.247 1.027 -1.001 1.00 0.00 O ATOM 843 CB CYS A 242 9.123 1.821 -1.698 1.00 0.00 C ATOM 844 SG CYS A 242 8.382 2.927 -2.935 1.00 0.00 S ATOM 0 H CYS A 242 8.558 -0.137 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 242 10.870 1.527 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 242 8.353 1.171 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 242 9.521 2.411 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 242 7.259 2.422 -3.351 1.00 0.00 H new