USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 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 353 GLN : amide:sc=-0.00379 X(o=-0.092,f=-0.26) USER MOD Set 1.2: A 354 HIS : no HD1:sc= -0.088 X(o=-0.092,f=-0.092) USER MOD Set 2.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -152:sc= -0.0232 (180deg=-0.367) USER MOD Set 3.1: A 301 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 303 ASN : amide:sc= -2.44! K(o=-2.4!,f=1) USER MOD Set 4.1: A 289 HIS : no HD1:sc= -2.05 K(o=-2.6,f=-3.2) USER MOD Set 4.2: A 338 HIS : no HD1:sc= -0.597 X(o=-2.6,f=-2.5) USER MOD Set 4.3: A 363 SER OG : rot -170:sc= 0 USER MOD Single : A 290 CYS SG : rot 180:sc= -0.415 USER MOD Single : A 292 HIS : no HE2:sc= 0.114 K(o=0.11,f=-0.86) USER MOD Single : A 293 MET CE :methyl -164:sc= -0.192 (180deg=-0.98) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.847 K(o=0.85,f=-0.33) USER MOD Single : A 310 SER OG : rot -162:sc= 0.989 USER MOD Single : A 313 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 318 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.042) USER MOD Single : A 337 THR OG1 : rot -10:sc= 1.14 USER MOD Single : A 345 MET CE :methyl -163:sc= -1.76 (180deg=-2.5!) USER MOD Single : A 351 ASN : amide:sc= 0.012 K(o=0.012,f=-4.4!) USER MOD Single : A 352 MET CE :methyl 170:sc= -1.91 (180deg=-2.1) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.51) USER MOD Single : A 364 THR OG1 : rot 180:sc= 0.439 USER MOD Single : A 365 THR OG1 : rot -40:sc= 0.525 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.273 5.519 -6.670 1.00 0.00 N ATOM 160 CA HIS A 289 -2.859 5.466 -6.329 1.00 0.00 C ATOM 161 C HIS A 289 -2.622 4.291 -5.381 1.00 0.00 C ATOM 162 O HIS A 289 -3.435 4.059 -4.490 1.00 0.00 O ATOM 163 CB HIS A 289 -2.485 6.812 -5.702 1.00 0.00 C ATOM 164 CG HIS A 289 -2.593 7.949 -6.687 1.00 0.00 C ATOM 165 ND1 HIS A 289 -1.553 8.591 -7.323 1.00 0.00 N ATOM 166 CD2 HIS A 289 -3.751 8.537 -7.122 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.079 9.531 -8.125 1.00 0.00 C ATOM 168 NE2 HIS A 289 -3.420 9.542 -8.038 1.00 0.00 N ATOM 0 HA HIS A 289 -2.230 5.305 -7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.137 7.008 -4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.466 6.762 -5.318 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -4.750 8.270 -6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -1.501 10.190 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.064 10.156 -8.537 1.00 0.00 H new ATOM 176 N CYS A 290 -1.522 3.546 -5.556 1.00 0.00 N ATOM 177 CA CYS A 290 -1.281 2.346 -4.766 1.00 0.00 C ATOM 178 C CYS A 290 0.175 2.243 -4.318 1.00 0.00 C ATOM 179 O CYS A 290 1.041 2.966 -4.807 1.00 0.00 O ATOM 180 CB CYS A 290 -1.658 1.117 -5.597 1.00 0.00 C ATOM 181 SG CYS A 290 -3.417 1.172 -6.031 1.00 0.00 S ATOM 0 H CYS A 290 -0.792 3.758 -6.236 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.896 2.399 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.053 1.082 -6.503 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.443 0.208 -5.035 1.00 0.00 H new ATOM 0 HG CYS A 290 -3.723 0.125 -6.738 1.00 0.00 H new ATOM 187 N VAL A 291 0.432 1.330 -3.375 1.00 0.00 N ATOM 188 CA VAL A 291 1.754 1.077 -2.815 1.00 0.00 C ATOM 189 C VAL A 291 1.835 -0.390 -2.391 1.00 0.00 C ATOM 190 O VAL A 291 0.824 -0.982 -2.016 1.00 0.00 O ATOM 191 CB VAL A 291 1.965 1.994 -1.600 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.374 1.864 -1.033 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.761 3.463 -1.970 1.00 0.00 C ATOM 0 H VAL A 291 -0.293 0.736 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 291 2.529 1.281 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 291 1.231 1.681 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.484 2.528 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.546 0.834 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.101 2.137 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.917 4.085 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.474 3.745 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.746 3.607 -2.341 1.00 0.00 H new ATOM 203 N HIS A 292 3.030 -0.984 -2.448 1.00 0.00 N ATOM 204 CA HIS A 292 3.237 -2.370 -2.041 1.00 0.00 C ATOM 205 C HIS A 292 3.436 -2.465 -0.527 1.00 0.00 C ATOM 206 O HIS A 292 3.669 -1.453 0.128 1.00 0.00 O ATOM 207 CB HIS A 292 4.474 -2.919 -2.752 1.00 0.00 C ATOM 208 CG HIS A 292 4.362 -2.876 -4.253 1.00 0.00 C ATOM 209 ND1 HIS A 292 4.806 -1.867 -5.077 1.00 0.00 N ATOM 210 CD2 HIS A 292 3.802 -3.835 -5.054 1.00 0.00 C ATOM 211 CE1 HIS A 292 4.523 -2.219 -6.344 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.907 -3.414 -6.384 1.00 0.00 N ATOM 0 H HIS A 292 3.875 -0.517 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 292 2.357 -2.953 -2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 292 5.348 -2.346 -2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.640 -3.949 -2.436 1.00 0.00 H new ATOM 0 HD1 HIS A 292 5.267 -1.007 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.355 -4.759 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 292 4.759 -1.622 -7.213 1.00 0.00 H new ATOM 220 N MET A 293 3.347 -3.678 0.029 1.00 0.00 N ATOM 221 CA MET A 293 3.586 -3.934 1.444 1.00 0.00 C ATOM 222 C MET A 293 4.053 -5.376 1.640 1.00 0.00 C ATOM 223 O MET A 293 3.405 -6.316 1.181 1.00 0.00 O ATOM 224 CB MET A 293 2.297 -3.666 2.233 1.00 0.00 C ATOM 225 CG MET A 293 2.287 -4.369 3.594 1.00 0.00 C ATOM 226 SD MET A 293 3.699 -4.026 4.674 1.00 0.00 S ATOM 227 CE MET A 293 3.295 -2.345 5.202 1.00 0.00 C ATOM 0 H MET A 293 3.104 -4.515 -0.501 1.00 0.00 H new ATOM 0 HA MET A 293 4.368 -3.270 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.182 -2.592 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 293 1.440 -4.001 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.375 -4.086 4.120 1.00 0.00 H new ATOM 0 HG3 MET A 293 2.237 -5.445 3.425 1.00 0.00 H new ATOM 0 HE1 MET A 293 4.179 -1.877 5.634 1.00 0.00 H new ATOM 0 HE2 MET A 293 2.960 -1.764 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.501 -2.379 5.948 1.00 0.00 H new ATOM 237 N ARG A 294 5.187 -5.545 2.328 1.00 0.00 N ATOM 238 CA ARG A 294 5.760 -6.849 2.638 1.00 0.00 C ATOM 239 C ARG A 294 6.500 -6.761 3.970 1.00 0.00 C ATOM 240 O ARG A 294 6.840 -5.668 4.417 1.00 0.00 O ATOM 241 CB ARG A 294 6.738 -7.279 1.535 1.00 0.00 C ATOM 242 CG ARG A 294 6.079 -7.281 0.154 1.00 0.00 C ATOM 243 CD ARG A 294 7.030 -7.836 -0.905 1.00 0.00 C ATOM 244 NE ARG A 294 7.196 -9.288 -0.771 1.00 0.00 N ATOM 245 CZ ARG A 294 7.940 -10.030 -1.596 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.619 -9.469 -2.594 1.00 0.00 N ATOM 247 NH2 ARG A 294 8.008 -11.348 -1.423 1.00 0.00 N ATOM 0 H ARG A 294 5.737 -4.765 2.688 1.00 0.00 H new ATOM 0 HA ARG A 294 4.960 -7.587 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.595 -6.605 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 294 7.119 -8.276 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.170 -7.881 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 294 5.783 -6.267 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 294 6.646 -7.603 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 294 8.001 -7.348 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 294 6.716 -9.758 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 294 8.575 -8.460 -2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 294 9.183 -10.048 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 294 7.493 -11.790 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 294 8.575 -11.916 -2.052 1.00 0.00 H new ATOM 261 N GLY A 295 6.753 -7.906 4.608 1.00 0.00 N ATOM 262 CA GLY A 295 7.496 -7.941 5.858 1.00 0.00 C ATOM 263 C GLY A 295 6.713 -8.530 7.025 1.00 0.00 C ATOM 264 O GLY A 295 7.321 -8.890 8.031 1.00 0.00 O ATOM 0 H GLY A 295 6.451 -8.821 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.406 -8.524 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.804 -6.927 6.115 1.00 0.00 H new ATOM 268 N LEU A 296 5.384 -8.636 6.915 1.00 0.00 N ATOM 269 CA LEU A 296 4.584 -9.149 8.018 1.00 0.00 C ATOM 270 C LEU A 296 5.127 -10.510 8.467 1.00 0.00 C ATOM 271 O LEU A 296 5.592 -11.283 7.630 1.00 0.00 O ATOM 272 CB LEU A 296 3.108 -9.248 7.612 1.00 0.00 C ATOM 273 CG LEU A 296 2.447 -7.880 7.394 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.977 -8.078 7.026 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.494 -7.015 8.654 1.00 0.00 C ATOM 0 H LEU A 296 4.852 -8.376 6.084 1.00 0.00 H new ATOM 0 HA LEU A 296 4.651 -8.458 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.029 -9.833 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.561 -9.789 8.384 1.00 0.00 H new ATOM 0 HG LEU A 296 2.997 -7.380 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.507 -7.107 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.907 -8.665 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.467 -8.603 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 296 2.015 -6.056 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.968 -7.522 9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.532 -6.849 8.943 1.00 0.00 H new ATOM 344 N ALA A 300 0.255 -11.925 10.729 1.00 0.00 N ATOM 345 CA ALA A 300 -0.334 -10.622 11.001 1.00 0.00 C ATOM 346 C ALA A 300 -1.211 -10.200 9.820 1.00 0.00 C ATOM 347 O ALA A 300 -1.258 -10.893 8.804 1.00 0.00 O ATOM 348 CB ALA A 300 0.784 -9.611 11.254 1.00 0.00 C ATOM 0 HA ALA A 300 -0.964 -10.669 11.889 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.350 -8.632 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.377 -9.931 12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.423 -9.548 10.373 1.00 0.00 H new ATOM 354 N THR A 301 -1.908 -9.067 9.948 1.00 0.00 N ATOM 355 CA THR A 301 -2.866 -8.623 8.941 1.00 0.00 C ATOM 356 C THR A 301 -2.920 -7.109 8.809 1.00 0.00 C ATOM 357 O THR A 301 -2.240 -6.360 9.510 1.00 0.00 O ATOM 358 CB THR A 301 -4.275 -9.132 9.280 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.426 -9.333 10.668 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.544 -10.439 8.549 1.00 0.00 C ATOM 0 H THR A 301 -1.823 -8.439 10.747 1.00 0.00 H new ATOM 0 HA THR A 301 -2.525 -9.037 7.992 1.00 0.00 H new ATOM 0 HB THR A 301 -4.991 -8.375 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 301 -5.332 -9.655 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.545 -10.794 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.470 -10.276 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.810 -11.185 8.854 1.00 0.00 H new ATOM 368 N GLU A 302 -3.764 -6.667 7.874 1.00 0.00 N ATOM 369 CA GLU A 302 -3.997 -5.263 7.604 1.00 0.00 C ATOM 370 C GLU A 302 -4.332 -4.468 8.862 1.00 0.00 C ATOM 371 O GLU A 302 -4.078 -3.269 8.904 1.00 0.00 O ATOM 372 CB GLU A 302 -5.094 -5.128 6.549 1.00 0.00 C ATOM 373 CG GLU A 302 -6.495 -5.315 7.132 1.00 0.00 C ATOM 374 CD GLU A 302 -7.578 -5.395 6.055 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.273 -5.892 4.949 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.711 -4.954 6.352 1.00 0.00 O ATOM 0 H GLU A 302 -4.309 -7.291 7.279 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.071 -4.834 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.026 -4.145 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -4.930 -5.865 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.516 -6.226 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.718 -4.486 7.804 1.00 0.00 H new ATOM 383 N ASN A 303 -4.897 -5.120 9.884 1.00 0.00 N ATOM 384 CA ASN A 303 -5.235 -4.460 11.137 1.00 0.00 C ATOM 385 C ASN A 303 -4.027 -3.773 11.783 1.00 0.00 C ATOM 386 O ASN A 303 -4.199 -2.990 12.716 1.00 0.00 O ATOM 387 CB ASN A 303 -5.888 -5.455 12.095 1.00 0.00 C ATOM 388 CG ASN A 303 -4.840 -6.311 12.784 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.916 -6.565 13.983 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.851 -6.758 12.019 1.00 0.00 N ATOM 0 H ASN A 303 -5.129 -6.113 9.861 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.950 -3.669 10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.472 -4.917 12.842 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.581 -6.093 11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.115 -7.337 12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -3.827 -6.522 11.027 1.00 0.00 H new ATOM 397 N ASP A 304 -2.813 -4.057 11.296 1.00 0.00 N ATOM 398 CA ASP A 304 -1.616 -3.376 11.760 1.00 0.00 C ATOM 399 C ASP A 304 -0.907 -2.641 10.620 1.00 0.00 C ATOM 400 O ASP A 304 -0.094 -1.751 10.864 1.00 0.00 O ATOM 401 CB ASP A 304 -0.711 -4.384 12.476 1.00 0.00 C ATOM 402 CG ASP A 304 0.203 -3.729 13.512 1.00 0.00 C ATOM 403 OD1 ASP A 304 0.189 -2.482 13.612 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.916 -4.491 14.202 1.00 0.00 O ATOM 0 H ASP A 304 -2.642 -4.759 10.577 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.892 -2.601 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.329 -5.135 12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.101 -4.906 11.738 1.00 0.00 H new ATOM 409 N ILE A 305 -1.205 -3.000 9.367 1.00 0.00 N ATOM 410 CA ILE A 305 -0.644 -2.304 8.213 1.00 0.00 C ATOM 411 C ILE A 305 -1.045 -0.830 8.206 1.00 0.00 C ATOM 412 O ILE A 305 -0.185 0.045 8.150 1.00 0.00 O ATOM 413 CB ILE A 305 -1.163 -2.958 6.936 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.561 -4.359 6.787 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.838 -2.101 5.706 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.056 -5.019 5.501 1.00 0.00 C ATOM 0 H ILE A 305 -1.832 -3.769 9.130 1.00 0.00 H new ATOM 0 HA ILE A 305 0.443 -2.369 8.269 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.247 -3.042 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.527 -4.294 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -0.834 -4.972 7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.219 -2.591 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.305 -1.122 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.242 -1.980 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.619 -6.013 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.143 -5.102 5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.760 -4.414 4.644 1.00 0.00 H new ATOM 428 N TYR A 306 -2.346 -0.531 8.263 1.00 0.00 N ATOM 429 CA TYR A 306 -2.777 0.859 8.199 1.00 0.00 C ATOM 430 C TYR A 306 -2.701 1.511 9.576 1.00 0.00 C ATOM 431 O TYR A 306 -3.140 2.646 9.750 1.00 0.00 O ATOM 432 CB TYR A 306 -4.161 0.986 7.553 1.00 0.00 C ATOM 433 CG TYR A 306 -5.338 0.569 8.401 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.665 -0.786 8.526 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.106 1.542 9.055 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.748 -1.183 9.323 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.205 1.161 9.838 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.525 -0.206 9.982 1.00 0.00 C ATOM 439 OH TYR A 306 -8.584 -0.578 10.756 1.00 0.00 O ATOM 0 H TYR A 306 -3.097 -1.215 8.351 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.091 1.406 7.552 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.305 2.025 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.168 0.389 6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.080 -1.530 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.851 2.587 8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -6.986 -2.231 9.432 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.805 1.912 10.330 1.00 0.00 H new ATOM 0 HH TYR A 306 -9.008 0.220 11.136 1.00 0.00 H new ATOM 449 N ASN A 307 -2.142 0.794 10.555 1.00 0.00 N ATOM 450 CA ASN A 307 -2.022 1.278 11.916 1.00 0.00 C ATOM 451 C ASN A 307 -0.568 1.632 12.255 1.00 0.00 C ATOM 452 O ASN A 307 -0.309 2.201 13.315 1.00 0.00 O ATOM 453 CB ASN A 307 -2.603 0.196 12.820 1.00 0.00 C ATOM 454 CG ASN A 307 -2.230 0.388 14.276 1.00 0.00 C ATOM 455 OD1 ASN A 307 -2.801 1.219 14.978 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.257 -0.393 14.731 1.00 0.00 N ATOM 0 H ASN A 307 -1.761 -0.142 10.416 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.575 2.206 12.059 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.689 0.193 12.725 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.251 -0.780 12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -0.954 -0.317 15.702 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -0.813 -1.069 14.109 1.00 0.00 H new ATOM 463 N PHE A 308 0.385 1.306 11.373 1.00 0.00 N ATOM 464 CA PHE A 308 1.768 1.747 11.534 1.00 0.00 C ATOM 465 C PHE A 308 2.169 2.676 10.387 1.00 0.00 C ATOM 466 O PHE A 308 3.183 3.365 10.476 1.00 0.00 O ATOM 467 CB PHE A 308 2.717 0.543 11.600 1.00 0.00 C ATOM 468 CG PHE A 308 3.470 0.295 10.310 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.774 -0.139 9.177 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.855 0.504 10.238 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.440 -0.310 7.959 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.530 0.310 9.022 1.00 0.00 C ATOM 473 CZ PHE A 308 4.820 -0.083 7.878 1.00 0.00 C ATOM 0 H PHE A 308 0.219 0.738 10.542 1.00 0.00 H new ATOM 0 HA PHE A 308 1.844 2.297 12.472 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.434 0.700 12.406 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.143 -0.348 11.853 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.716 -0.343 9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.402 0.814 11.116 1.00 0.00 H new ATOM 0 HE1 PHE A 308 2.891 -0.617 7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.598 0.464 8.968 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.336 -0.210 6.938 1.00 0.00 H new ATOM 483 N PHE A 309 1.373 2.693 9.313 1.00 0.00 N ATOM 484 CA PHE A 309 1.669 3.461 8.114 1.00 0.00 C ATOM 485 C PHE A 309 1.773 4.960 8.407 1.00 0.00 C ATOM 486 O PHE A 309 2.844 5.544 8.255 1.00 0.00 O ATOM 487 CB PHE A 309 0.577 3.178 7.073 1.00 0.00 C ATOM 488 CG PHE A 309 1.104 2.683 5.747 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.096 3.416 5.085 1.00 0.00 C ATOM 490 CD2 PHE A 309 0.607 1.500 5.176 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.587 2.974 3.851 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.112 1.051 3.946 1.00 0.00 C ATOM 493 CZ PHE A 309 2.096 1.793 3.280 1.00 0.00 C ATOM 0 H PHE A 309 0.500 2.168 9.258 1.00 0.00 H new ATOM 0 HA PHE A 309 2.641 3.155 7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -0.113 2.437 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.003 4.090 6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.483 4.323 5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -0.163 0.937 5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.346 3.545 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.742 0.133 3.513 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.476 1.455 2.327 1.00 0.00 H new ATOM 503 N SER A 310 0.656 5.568 8.826 1.00 0.00 N ATOM 504 CA SER A 310 0.534 7.001 9.072 1.00 0.00 C ATOM 505 C SER A 310 -0.768 7.277 9.825 1.00 0.00 C ATOM 506 O SER A 310 -1.621 6.395 9.913 1.00 0.00 O ATOM 507 CB SER A 310 0.495 7.736 7.728 1.00 0.00 C ATOM 508 OG SER A 310 1.807 7.956 7.260 1.00 0.00 O ATOM 0 H SER A 310 -0.209 5.058 9.007 1.00 0.00 H new ATOM 0 HA SER A 310 1.382 7.345 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 310 -0.066 7.150 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 310 -0.024 8.688 7.840 1.00 0.00 H new ATOM 0 HG SER A 310 1.797 8.657 6.575 1.00 0.00 H new ATOM 514 N PRO A 311 -0.941 8.491 10.374 1.00 0.00 N ATOM 515 CA PRO A 311 -2.165 8.903 11.048 1.00 0.00 C ATOM 516 C PRO A 311 -3.339 9.089 10.079 1.00 0.00 C ATOM 517 O PRO A 311 -4.443 9.410 10.515 1.00 0.00 O ATOM 518 CB PRO A 311 -1.811 10.215 11.750 1.00 0.00 C ATOM 519 CG PRO A 311 -0.720 10.802 10.858 1.00 0.00 C ATOM 520 CD PRO A 311 0.040 9.562 10.393 1.00 0.00 C ATOM 0 HA PRO A 311 -2.502 8.137 11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.673 10.879 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.453 10.045 12.765 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.139 11.358 10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -0.076 11.489 11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.473 9.715 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 311 0.863 9.329 11.069 1.00 0.00 H new ATOM 528 N LEU A 312 -3.114 8.893 8.774 1.00 0.00 N ATOM 529 CA LEU A 312 -4.143 8.925 7.751 1.00 0.00 C ATOM 530 C LEU A 312 -5.342 8.050 8.102 1.00 0.00 C ATOM 531 O LEU A 312 -5.239 7.073 8.843 1.00 0.00 O ATOM 532 CB LEU A 312 -3.517 8.422 6.449 1.00 0.00 C ATOM 533 CG LEU A 312 -2.919 9.522 5.572 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.268 10.671 6.330 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.891 8.885 4.640 1.00 0.00 C ATOM 0 H LEU A 312 -2.184 8.704 8.400 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.510 9.947 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.736 7.701 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.277 7.890 5.876 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.752 9.971 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.874 11.399 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -3.009 11.151 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.454 10.287 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.451 9.653 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.108 8.411 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.379 8.135 4.018 1.00 0.00 H new ATOM 547 N ASN A 313 -6.490 8.429 7.543 1.00 0.00 N ATOM 548 CA ASN A 313 -7.747 7.721 7.684 1.00 0.00 C ATOM 549 C ASN A 313 -7.700 6.439 6.854 1.00 0.00 C ATOM 550 O ASN A 313 -6.951 6.362 5.882 1.00 0.00 O ATOM 551 CB ASN A 313 -8.838 8.665 7.184 1.00 0.00 C ATOM 552 CG ASN A 313 -8.884 9.938 8.009 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.905 9.897 9.236 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.900 11.082 7.335 1.00 0.00 N ATOM 0 H ASN A 313 -6.566 9.264 6.963 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.943 7.435 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.657 8.913 6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.805 8.164 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.931 11.969 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.881 11.073 6.315 1.00 0.00 H new ATOM 561 N PRO A 314 -8.493 5.429 7.224 1.00 0.00 N ATOM 562 CA PRO A 314 -8.416 4.098 6.655 1.00 0.00 C ATOM 563 C PRO A 314 -8.971 4.046 5.233 1.00 0.00 C ATOM 564 O PRO A 314 -10.177 4.141 5.011 1.00 0.00 O ATOM 565 CB PRO A 314 -9.189 3.215 7.628 1.00 0.00 C ATOM 566 CG PRO A 314 -10.228 4.161 8.232 1.00 0.00 C ATOM 567 CD PRO A 314 -9.517 5.514 8.244 1.00 0.00 C ATOM 0 HA PRO A 314 -7.386 3.758 6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.661 2.375 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.536 2.796 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -11.138 4.192 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.517 3.851 9.236 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -10.214 6.324 8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -9.080 5.718 9.221 1.00 0.00 H new ATOM 575 N VAL A 315 -8.052 3.892 4.276 1.00 0.00 N ATOM 576 CA VAL A 315 -8.332 3.773 2.845 1.00 0.00 C ATOM 577 C VAL A 315 -7.258 2.913 2.177 1.00 0.00 C ATOM 578 O VAL A 315 -7.171 2.879 0.950 1.00 0.00 O ATOM 579 CB VAL A 315 -8.330 5.153 2.164 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.416 6.087 2.696 1.00 0.00 C ATOM 581 CG2 VAL A 315 -6.978 5.850 2.331 1.00 0.00 C ATOM 0 H VAL A 315 -7.055 3.845 4.486 1.00 0.00 H new ATOM 0 HA VAL A 315 -9.316 3.316 2.736 1.00 0.00 H new ATOM 0 HB VAL A 315 -8.531 4.954 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.361 7.043 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.395 5.639 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.268 6.247 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.007 6.823 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -6.767 5.986 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -6.196 5.239 1.881 1.00 0.00 H new ATOM 591 N ARG A 316 -6.437 2.218 2.975 1.00 0.00 N ATOM 592 CA ARG A 316 -5.172 1.668 2.506 1.00 0.00 C ATOM 593 C ARG A 316 -4.927 0.227 2.948 1.00 0.00 C ATOM 594 O ARG A 316 -3.878 -0.070 3.514 1.00 0.00 O ATOM 595 CB ARG A 316 -4.034 2.601 2.945 1.00 0.00 C ATOM 596 CG ARG A 316 -3.957 2.744 4.467 1.00 0.00 C ATOM 597 CD ARG A 316 -2.756 3.606 4.852 1.00 0.00 C ATOM 598 NE ARG A 316 -2.749 3.878 6.293 1.00 0.00 N ATOM 599 CZ ARG A 316 -3.590 4.735 6.873 1.00 0.00 C ATOM 600 NH1 ARG A 316 -4.453 5.420 6.131 1.00 0.00 N ATOM 601 NH2 ARG A 316 -3.579 4.916 8.189 1.00 0.00 N ATOM 0 H ARG A 316 -6.635 2.026 3.957 1.00 0.00 H new ATOM 0 HA ARG A 316 -5.212 1.618 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -3.086 2.216 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.179 3.584 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.875 3.195 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -3.872 1.760 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -1.834 3.099 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -2.786 4.546 4.300 1.00 0.00 H new ATOM 0 HE ARG A 316 -2.071 3.390 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -4.472 5.290 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -5.097 6.076 6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -2.921 4.396 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -4.228 5.575 8.619 1.00 0.00 H new ATOM 615 N VAL A 317 -5.876 -0.681 2.702 1.00 0.00 N ATOM 616 CA VAL A 317 -5.649 -2.091 3.008 1.00 0.00 C ATOM 617 C VAL A 317 -6.188 -3.020 1.924 1.00 0.00 C ATOM 618 O VAL A 317 -7.302 -2.843 1.433 1.00 0.00 O ATOM 619 CB VAL A 317 -6.248 -2.482 4.356 1.00 0.00 C ATOM 620 CG1 VAL A 317 -5.542 -1.729 5.472 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.743 -2.220 4.502 1.00 0.00 C ATOM 0 H VAL A 317 -6.789 -0.469 2.300 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.567 -2.212 3.052 1.00 0.00 H new ATOM 0 HB VAL A 317 -6.104 -3.561 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.974 -2.012 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -4.481 -1.978 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.664 -0.656 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -8.072 -2.531 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.940 -1.156 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.287 -2.785 3.745 1.00 0.00 H new ATOM 631 N HIS A 318 -5.373 -4.015 1.564 1.00 0.00 N ATOM 632 CA HIS A 318 -5.738 -5.107 0.681 1.00 0.00 C ATOM 633 C HIS A 318 -4.693 -6.209 0.849 1.00 0.00 C ATOM 634 O HIS A 318 -3.570 -5.931 1.268 1.00 0.00 O ATOM 635 CB HIS A 318 -5.747 -4.604 -0.759 1.00 0.00 C ATOM 636 CG HIS A 318 -6.267 -5.615 -1.743 1.00 0.00 C ATOM 637 ND1 HIS A 318 -7.563 -5.734 -2.188 1.00 0.00 N ATOM 638 CD2 HIS A 318 -5.535 -6.590 -2.364 1.00 0.00 C ATOM 639 CE1 HIS A 318 -7.604 -6.756 -3.060 1.00 0.00 C ATOM 640 NE2 HIS A 318 -6.389 -7.313 -3.204 1.00 0.00 N ATOM 0 H HIS A 318 -4.410 -4.077 1.895 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.729 -5.492 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.359 -3.704 -0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.734 -4.320 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -4.479 -6.771 -2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -8.494 -7.086 -3.576 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -6.141 -8.101 -3.803 1.00 0.00 H new ATOM 648 N ILE A 319 -5.040 -7.459 0.530 1.00 0.00 N ATOM 649 CA ILE A 319 -4.126 -8.576 0.734 1.00 0.00 C ATOM 650 C ILE A 319 -4.279 -9.599 -0.388 1.00 0.00 C ATOM 651 O ILE A 319 -5.342 -9.726 -0.993 1.00 0.00 O ATOM 652 CB ILE A 319 -4.381 -9.195 2.119 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.125 -8.124 3.190 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.474 -10.407 2.354 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.270 -8.651 4.611 1.00 0.00 C ATOM 0 H ILE A 319 -5.943 -7.718 0.132 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.095 -8.222 0.705 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.414 -9.540 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.121 -7.721 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -4.821 -7.298 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -3.674 -10.826 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.671 -11.162 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.431 -10.097 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.076 -7.845 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -5.282 -9.028 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -3.555 -9.458 4.775 1.00 0.00 H new ATOM 667 N GLU A 320 -3.194 -10.329 -0.657 1.00 0.00 N ATOM 668 CA GLU A 320 -3.112 -11.311 -1.722 1.00 0.00 C ATOM 669 C GLU A 320 -2.263 -12.485 -1.239 1.00 0.00 C ATOM 670 O GLU A 320 -1.117 -12.673 -1.642 1.00 0.00 O ATOM 671 CB GLU A 320 -2.530 -10.644 -2.962 1.00 0.00 C ATOM 672 CG GLU A 320 -2.531 -11.603 -4.150 1.00 0.00 C ATOM 673 CD GLU A 320 -2.093 -10.891 -5.429 1.00 0.00 C ATOM 674 OE1 GLU A 320 -0.865 -10.801 -5.650 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.991 -10.443 -6.177 1.00 0.00 O ATOM 0 H GLU A 320 -2.330 -10.245 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.096 -11.697 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.111 -9.755 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.512 -10.314 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.862 -12.439 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -3.529 -12.019 -4.285 1.00 0.00 H new ATOM 817 N ALA A 331 1.070 -8.364 0.177 1.00 0.00 N ATOM 818 CA ALA A 331 -0.032 -7.458 0.445 1.00 0.00 C ATOM 819 C ALA A 331 0.229 -6.123 -0.241 1.00 0.00 C ATOM 820 O ALA A 331 1.350 -5.826 -0.649 1.00 0.00 O ATOM 821 CB ALA A 331 -0.189 -7.289 1.956 1.00 0.00 C ATOM 0 HA ALA A 331 -0.962 -7.865 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.016 -6.609 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.394 -8.258 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.731 -6.879 2.374 1.00 0.00 H new ATOM 827 N ASP A 332 -0.817 -5.310 -0.369 1.00 0.00 N ATOM 828 CA ASP A 332 -0.700 -4.004 -0.991 1.00 0.00 C ATOM 829 C ASP A 332 -1.764 -3.059 -0.443 1.00 0.00 C ATOM 830 O ASP A 332 -2.675 -3.481 0.267 1.00 0.00 O ATOM 831 CB ASP A 332 -0.818 -4.155 -2.509 1.00 0.00 C ATOM 832 CG ASP A 332 -2.167 -4.730 -2.931 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.264 -5.975 -3.009 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.090 -3.921 -3.172 1.00 0.00 O ATOM 0 H ASP A 332 -1.757 -5.539 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 332 0.274 -3.573 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.677 -3.183 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.020 -4.804 -2.870 1.00 0.00 H new ATOM 839 N VAL A 333 -1.650 -1.773 -0.775 1.00 0.00 N ATOM 840 CA VAL A 333 -2.562 -0.763 -0.268 1.00 0.00 C ATOM 841 C VAL A 333 -2.909 0.259 -1.349 1.00 0.00 C ATOM 842 O VAL A 333 -2.406 0.191 -2.469 1.00 0.00 O ATOM 843 CB VAL A 333 -1.942 -0.083 0.957 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.577 -1.107 2.035 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.683 0.694 0.587 1.00 0.00 C ATOM 0 H VAL A 333 -0.928 -1.410 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.493 -1.245 0.029 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.694 0.605 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.139 -0.594 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.475 -1.639 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.857 -1.819 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.270 1.163 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.053 0.012 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.932 1.462 -0.145 1.00 0.00 H new ATOM 855 N GLU A 334 -3.777 1.212 -1.000 1.00 0.00 N ATOM 856 CA GLU A 334 -4.296 2.212 -1.920 1.00 0.00 C ATOM 857 C GLU A 334 -4.340 3.566 -1.213 1.00 0.00 C ATOM 858 O GLU A 334 -4.374 3.621 0.014 1.00 0.00 O ATOM 859 CB GLU A 334 -5.688 1.761 -2.375 1.00 0.00 C ATOM 860 CG GLU A 334 -6.298 2.683 -3.431 1.00 0.00 C ATOM 861 CD GLU A 334 -7.644 2.138 -3.904 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.658 2.442 -3.238 1.00 0.00 O ATOM 863 OE2 GLU A 334 -7.652 1.419 -4.929 1.00 0.00 O ATOM 0 H GLU A 334 -4.142 1.307 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.658 2.317 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.623 0.750 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.351 1.719 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.429 3.683 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.618 2.775 -4.278 1.00 0.00 H new ATOM 870 N PHE A 335 -4.341 4.661 -1.979 1.00 0.00 N ATOM 871 CA PHE A 335 -4.330 6.003 -1.420 1.00 0.00 C ATOM 872 C PHE A 335 -5.079 6.991 -2.307 1.00 0.00 C ATOM 873 O PHE A 335 -5.270 6.769 -3.505 1.00 0.00 O ATOM 874 CB PHE A 335 -2.883 6.478 -1.269 1.00 0.00 C ATOM 875 CG PHE A 335 -2.112 5.791 -0.165 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.280 6.205 1.164 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.229 4.746 -0.462 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.554 5.589 2.190 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.504 4.127 0.566 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.667 4.547 1.893 1.00 0.00 C ATOM 0 H PHE A 335 -4.349 4.636 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.828 5.964 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.361 6.320 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.884 7.552 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.971 7.001 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -1.106 4.417 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.678 5.918 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.181 3.325 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 335 -0.110 4.068 2.685 1.00 0.00 H new ATOM 890 N ALA A 336 -5.495 8.093 -1.677 1.00 0.00 N ATOM 891 CA ALA A 336 -6.156 9.207 -2.325 1.00 0.00 C ATOM 892 C ALA A 336 -5.094 10.186 -2.827 1.00 0.00 C ATOM 893 O ALA A 336 -4.501 10.927 -2.043 1.00 0.00 O ATOM 894 CB ALA A 336 -7.106 9.867 -1.324 1.00 0.00 C ATOM 0 H ALA A 336 -5.373 8.229 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.742 8.872 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.610 10.708 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.848 9.140 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.538 10.224 -0.465 1.00 0.00 H new ATOM 900 N THR A 337 -4.865 10.176 -4.144 1.00 0.00 N ATOM 901 CA THR A 337 -3.873 10.993 -4.840 1.00 0.00 C ATOM 902 C THR A 337 -2.451 10.671 -4.393 1.00 0.00 C ATOM 903 O THR A 337 -2.230 9.959 -3.414 1.00 0.00 O ATOM 904 CB THR A 337 -4.157 12.496 -4.725 1.00 0.00 C ATOM 905 OG1 THR A 337 -3.857 12.979 -3.437 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.609 12.825 -5.069 1.00 0.00 C ATOM 0 H THR A 337 -5.389 9.573 -4.778 1.00 0.00 H new ATOM 0 HA THR A 337 -3.959 10.731 -5.895 1.00 0.00 H new ATOM 0 HB THR A 337 -3.508 12.991 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.684 12.224 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.771 13.899 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 337 -5.820 12.514 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.274 12.297 -4.385 1.00 0.00 H new ATOM 914 N HIS A 338 -1.472 11.207 -5.124 1.00 0.00 N ATOM 915 CA HIS A 338 -0.075 11.002 -4.793 1.00 0.00 C ATOM 916 C HIS A 338 0.289 11.730 -3.499 1.00 0.00 C ATOM 917 O HIS A 338 1.274 11.386 -2.853 1.00 0.00 O ATOM 918 CB HIS A 338 0.782 11.515 -5.948 1.00 0.00 C ATOM 919 CG HIS A 338 2.234 11.152 -5.805 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.761 9.881 -5.745 1.00 0.00 N ATOM 921 CD2 HIS A 338 3.280 12.029 -5.713 1.00 0.00 C ATOM 922 CE1 HIS A 338 4.094 9.998 -5.619 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.464 11.291 -5.600 1.00 0.00 N ATOM 0 H HIS A 338 -1.629 11.786 -5.949 1.00 0.00 H new ATOM 0 HA HIS A 338 0.108 9.939 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 338 0.401 11.108 -6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.688 12.599 -6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 338 3.205 13.106 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.777 9.165 -5.543 1.00 0.00 H new ATOM 0 HE2 HIS A 338 5.412 11.658 -5.520 1.00 0.00 H new ATOM 931 N GLU A 339 -0.502 12.736 -3.116 1.00 0.00 N ATOM 932 CA GLU A 339 -0.223 13.548 -1.942 1.00 0.00 C ATOM 933 C GLU A 339 -0.425 12.759 -0.654 1.00 0.00 C ATOM 934 O GLU A 339 0.356 12.900 0.285 1.00 0.00 O ATOM 935 CB GLU A 339 -1.141 14.767 -1.961 1.00 0.00 C ATOM 936 CG GLU A 339 -0.733 15.663 -3.128 1.00 0.00 C ATOM 937 CD GLU A 339 -1.614 16.910 -3.201 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.404 17.816 -2.364 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.491 16.949 -4.094 1.00 0.00 O ATOM 0 H GLU A 339 -1.351 13.005 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 339 0.821 13.861 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.180 14.457 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.066 15.313 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.310 15.958 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.809 15.106 -4.062 1.00 0.00 H new ATOM 946 N GLU A 340 -1.465 11.926 -0.596 1.00 0.00 N ATOM 947 CA GLU A 340 -1.651 11.048 0.549 1.00 0.00 C ATOM 948 C GLU A 340 -0.649 9.894 0.468 1.00 0.00 C ATOM 949 O GLU A 340 -0.211 9.371 1.494 1.00 0.00 O ATOM 950 CB GLU A 340 -3.086 10.526 0.544 1.00 0.00 C ATOM 951 CG GLU A 340 -3.425 9.857 1.872 1.00 0.00 C ATOM 952 CD GLU A 340 -4.866 9.353 1.871 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.135 8.395 1.113 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.681 9.927 2.626 1.00 0.00 O ATOM 0 H GLU A 340 -2.179 11.844 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.478 11.591 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.776 11.349 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.215 9.813 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.744 9.025 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.283 10.565 2.688 1.00 0.00 H new ATOM 961 N ALA A 341 -0.276 9.489 -0.752 1.00 0.00 N ATOM 962 CA ALA A 341 0.669 8.400 -0.929 1.00 0.00 C ATOM 963 C ALA A 341 2.051 8.779 -0.393 1.00 0.00 C ATOM 964 O ALA A 341 2.711 7.953 0.237 1.00 0.00 O ATOM 965 CB ALA A 341 0.742 8.026 -2.409 1.00 0.00 C ATOM 0 H ALA A 341 -0.616 9.901 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 341 0.324 7.537 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.451 7.209 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.243 7.712 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.071 8.890 -2.987 1.00 0.00 H new ATOM 971 N VAL A 342 2.507 10.016 -0.629 1.00 0.00 N ATOM 972 CA VAL A 342 3.790 10.450 -0.086 1.00 0.00 C ATOM 973 C VAL A 342 3.661 10.766 1.400 1.00 0.00 C ATOM 974 O VAL A 342 4.659 10.762 2.116 1.00 0.00 O ATOM 975 CB VAL A 342 4.351 11.665 -0.832 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.583 11.320 -2.300 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.430 12.880 -0.724 1.00 0.00 C ATOM 0 H VAL A 342 2.014 10.718 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 342 4.491 9.626 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 342 5.299 11.925 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.982 12.191 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.294 10.497 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.639 11.025 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.867 13.718 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.457 12.638 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.308 13.152 0.324 1.00 0.00 H new ATOM 987 N ALA A 343 2.439 11.040 1.872 1.00 0.00 N ATOM 988 CA ALA A 343 2.188 11.237 3.291 1.00 0.00 C ATOM 989 C ALA A 343 2.262 9.899 4.028 1.00 0.00 C ATOM 990 O ALA A 343 2.218 9.864 5.256 1.00 0.00 O ATOM 991 CB ALA A 343 0.824 11.895 3.490 1.00 0.00 C ATOM 0 H ALA A 343 1.611 11.129 1.284 1.00 0.00 H new ATOM 0 HA ALA A 343 2.952 11.896 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.642 12.040 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.809 12.861 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.047 11.255 3.073 1.00 0.00 H new ATOM 997 N ALA A 344 2.375 8.800 3.274 1.00 0.00 N ATOM 998 CA ALA A 344 2.588 7.471 3.824 1.00 0.00 C ATOM 999 C ALA A 344 3.968 6.924 3.440 1.00 0.00 C ATOM 1000 O ALA A 344 4.374 5.873 3.933 1.00 0.00 O ATOM 1001 CB ALA A 344 1.464 6.559 3.335 1.00 0.00 C ATOM 0 H ALA A 344 2.320 8.816 2.256 1.00 0.00 H new ATOM 0 HA ALA A 344 2.568 7.516 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.607 5.556 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.504 6.952 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.477 6.517 2.246 1.00 0.00 H new ATOM 1007 N MET A 345 4.691 7.630 2.564 1.00 0.00 N ATOM 1008 CA MET A 345 6.065 7.304 2.204 1.00 0.00 C ATOM 1009 C MET A 345 7.011 7.770 3.316 1.00 0.00 C ATOM 1010 O MET A 345 7.868 8.625 3.097 1.00 0.00 O ATOM 1011 CB MET A 345 6.411 7.949 0.858 1.00 0.00 C ATOM 1012 CG MET A 345 7.794 7.537 0.340 1.00 0.00 C ATOM 1013 SD MET A 345 7.856 6.083 -0.746 1.00 0.00 S ATOM 1014 CE MET A 345 7.243 4.784 0.355 1.00 0.00 C ATOM 0 H MET A 345 4.329 8.453 2.082 1.00 0.00 H new ATOM 0 HA MET A 345 6.178 6.225 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.655 7.672 0.123 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.374 9.034 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.222 8.383 -0.198 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.437 7.348 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.503 3.808 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.697 4.897 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.160 4.864 0.444 1.00 0.00 H new ATOM 1024 N SER A 346 6.855 7.207 4.517 1.00 0.00 N ATOM 1025 CA SER A 346 7.655 7.585 5.677 1.00 0.00 C ATOM 1026 C SER A 346 8.056 6.367 6.508 1.00 0.00 C ATOM 1027 O SER A 346 8.471 6.513 7.657 1.00 0.00 O ATOM 1028 CB SER A 346 6.866 8.583 6.523 1.00 0.00 C ATOM 1029 OG SER A 346 5.687 7.976 7.010 1.00 0.00 O ATOM 0 H SER A 346 6.170 6.477 4.709 1.00 0.00 H new ATOM 0 HA SER A 346 8.578 8.049 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 346 7.477 8.930 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 346 6.614 9.459 5.926 1.00 0.00 H new ATOM 0 HG SER A 346 5.187 8.621 7.553 1.00 0.00 H new ATOM 1035 N LYS A 347 7.931 5.166 5.930 1.00 0.00 N ATOM 1036 CA LYS A 347 8.219 3.904 6.604 1.00 0.00 C ATOM 1037 C LYS A 347 8.975 2.954 5.674 1.00 0.00 C ATOM 1038 O LYS A 347 8.939 1.746 5.893 1.00 0.00 O ATOM 1039 CB LYS A 347 6.906 3.251 7.064 1.00 0.00 C ATOM 1040 CG LYS A 347 6.127 4.087 8.081 1.00 0.00 C ATOM 1041 CD LYS A 347 6.902 4.244 9.391 1.00 0.00 C ATOM 1042 CE LYS A 347 6.055 4.996 10.416 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.624 6.311 9.904 1.00 0.00 N ATOM 0 H LYS A 347 7.622 5.047 4.965 1.00 0.00 H new ATOM 0 HA LYS A 347 8.846 4.108 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.275 3.073 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.128 2.278 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 347 5.918 5.071 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.165 3.615 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.173 3.263 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.832 4.784 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.179 4.400 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.628 5.132 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.487 6.966 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.352 6.690 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.729 6.205 9.385 1.00 0.00 H new ATOM 1057 N ASP A 348 9.645 3.507 4.653 1.00 0.00 N ATOM 1058 CA ASP A 348 10.343 2.802 3.574 1.00 0.00 C ATOM 1059 C ASP A 348 10.679 1.352 3.905 1.00 0.00 C ATOM 1060 O ASP A 348 10.272 0.449 3.177 1.00 0.00 O ATOM 1061 CB ASP A 348 11.612 3.577 3.217 1.00 0.00 C ATOM 1062 CG ASP A 348 11.287 4.979 2.705 1.00 0.00 C ATOM 1063 OD1 ASP A 348 10.805 5.795 3.522 1.00 0.00 O ATOM 1064 OD2 ASP A 348 11.523 5.223 1.501 1.00 0.00 O ATOM 0 H ASP A 348 9.717 4.520 4.555 1.00 0.00 H new ATOM 0 HA ASP A 348 9.664 2.758 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.254 3.649 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.171 3.031 2.457 1.00 0.00 H new ATOM 1069 N ARG A 349 11.416 1.124 4.995 1.00 0.00 N ATOM 1070 CA ARG A 349 11.701 -0.226 5.449 1.00 0.00 C ATOM 1071 C ARG A 349 11.855 -0.267 6.971 1.00 0.00 C ATOM 1072 O ARG A 349 12.768 -0.897 7.504 1.00 0.00 O ATOM 1073 CB ARG A 349 12.854 -0.840 4.660 1.00 0.00 C ATOM 1074 CG ARG A 349 14.121 0.000 4.617 1.00 0.00 C ATOM 1075 CD ARG A 349 14.851 -0.512 3.383 1.00 0.00 C ATOM 1076 NE ARG A 349 16.184 0.087 3.251 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.415 1.345 2.862 1.00 0.00 C ATOM 1078 NH1 ARG A 349 15.410 2.163 2.556 1.00 0.00 N ATOM 1079 NH2 ARG A 349 17.666 1.792 2.778 1.00 0.00 N ATOM 0 H ARG A 349 11.822 1.859 5.574 1.00 0.00 H new ATOM 0 HA ARG A 349 10.849 -0.872 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.094 -1.811 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.520 -1.020 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.894 1.063 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.719 -0.130 5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.944 -1.597 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.262 -0.288 2.493 1.00 0.00 H new ATOM 0 HE ARG A 349 16.991 -0.497 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 349 14.447 1.833 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 349 15.603 3.120 2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.445 1.175 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 349 17.846 2.751 2.482 1.00 0.00 H new ATOM 1093 N ALA A 350 10.934 0.426 7.651 1.00 0.00 N ATOM 1094 CA ALA A 350 10.840 0.545 9.102 1.00 0.00 C ATOM 1095 C ALA A 350 10.503 -0.793 9.780 1.00 0.00 C ATOM 1096 O ALA A 350 10.723 -1.859 9.212 1.00 0.00 O ATOM 1097 CB ALA A 350 9.779 1.603 9.415 1.00 0.00 C ATOM 0 H ALA A 350 10.197 0.945 7.174 1.00 0.00 H new ATOM 0 HA ALA A 350 11.810 0.843 9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 350 9.685 1.715 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.074 2.556 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 350 8.821 1.292 8.998 1.00 0.00 H new ATOM 1103 N ASN A 351 9.965 -0.741 11.005 1.00 0.00 N ATOM 1104 CA ASN A 351 9.638 -1.925 11.792 1.00 0.00 C ATOM 1105 C ASN A 351 8.224 -1.795 12.375 1.00 0.00 C ATOM 1106 O ASN A 351 7.603 -0.740 12.260 1.00 0.00 O ATOM 1107 CB ASN A 351 10.705 -2.083 12.883 1.00 0.00 C ATOM 1108 CG ASN A 351 10.561 -3.371 13.685 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.040 -4.369 13.195 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.023 -3.358 14.932 1.00 0.00 N ATOM 0 H ASN A 351 9.744 0.136 11.478 1.00 0.00 H new ATOM 0 HA ASN A 351 9.640 -2.820 11.170 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.692 -2.059 12.422 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.649 -1.232 13.562 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.950 -4.194 15.512 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.450 -2.512 15.309 1.00 0.00 H new ATOM 1117 N MET A 352 7.712 -2.863 13.000 1.00 0.00 N ATOM 1118 CA MET A 352 6.342 -2.891 13.500 1.00 0.00 C ATOM 1119 C MET A 352 6.199 -3.678 14.806 1.00 0.00 C ATOM 1120 O MET A 352 5.362 -3.319 15.633 1.00 0.00 O ATOM 1121 CB MET A 352 5.469 -3.510 12.410 1.00 0.00 C ATOM 1122 CG MET A 352 4.011 -3.640 12.844 1.00 0.00 C ATOM 1123 SD MET A 352 2.950 -4.420 11.597 1.00 0.00 S ATOM 1124 CE MET A 352 2.905 -3.098 10.361 1.00 0.00 C ATOM 0 H MET A 352 8.235 -3.722 13.170 1.00 0.00 H new ATOM 0 HA MET A 352 6.031 -1.872 13.731 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.525 -2.897 11.510 1.00 0.00 H new ATOM 0 HB3 MET A 352 5.858 -4.494 12.150 1.00 0.00 H new ATOM 0 HG2 MET A 352 3.965 -4.223 13.764 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.619 -2.649 13.074 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.444 -3.471 9.446 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.324 -2.260 10.745 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.921 -2.766 10.146 1.00 0.00 H new ATOM 1134 N GLN A 353 6.991 -4.737 15.014 1.00 0.00 N ATOM 1135 CA GLN A 353 6.908 -5.501 16.256 1.00 0.00 C ATOM 1136 C GLN A 353 8.159 -6.332 16.525 1.00 0.00 C ATOM 1137 O GLN A 353 8.806 -6.146 17.553 1.00 0.00 O ATOM 1138 CB GLN A 353 5.682 -6.415 16.250 1.00 0.00 C ATOM 1139 CG GLN A 353 5.414 -7.114 14.917 1.00 0.00 C ATOM 1140 CD GLN A 353 4.050 -7.781 14.979 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.942 -8.995 15.118 1.00 0.00 O ATOM 1142 NE2 GLN A 353 2.995 -6.979 14.876 1.00 0.00 N ATOM 0 H GLN A 353 7.685 -5.077 14.348 1.00 0.00 H new ATOM 0 HA GLN A 353 6.819 -4.768 17.058 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.807 -7.173 17.024 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.805 -5.826 16.519 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.445 -6.393 14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.188 -7.855 14.717 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.128 -5.974 14.761 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.053 -7.368 14.912 1.00 0.00 H new ATOM 1151 N HIS A 354 8.504 -7.246 15.613 1.00 0.00 N ATOM 1152 CA HIS A 354 9.634 -8.142 15.818 1.00 0.00 C ATOM 1153 C HIS A 354 10.221 -8.645 14.496 1.00 0.00 C ATOM 1154 O HIS A 354 11.082 -9.523 14.487 1.00 0.00 O ATOM 1155 CB HIS A 354 9.174 -9.302 16.701 1.00 0.00 C ATOM 1156 CG HIS A 354 8.334 -10.313 15.975 1.00 0.00 C ATOM 1157 ND1 HIS A 354 8.778 -11.447 15.335 1.00 0.00 N ATOM 1158 CD2 HIS A 354 6.976 -10.273 15.832 1.00 0.00 C ATOM 1159 CE1 HIS A 354 7.705 -12.072 14.819 1.00 0.00 C ATOM 1160 NE2 HIS A 354 6.577 -11.394 15.096 1.00 0.00 N ATOM 0 H HIS A 354 8.014 -7.381 14.728 1.00 0.00 H new ATOM 0 HA HIS A 354 10.437 -7.595 16.312 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.050 -9.801 17.117 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.604 -8.905 17.541 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.322 -9.507 16.221 1.00 0.00 H new ATOM 0 HE1 HIS A 354 7.744 -12.994 14.258 1.00 0.00 H new ATOM 0 HE2 HIS A 354 5.626 -11.645 14.825 1.00 0.00 H new ATOM 1168 N ARG A 355 9.748 -8.081 13.381 1.00 0.00 N ATOM 1169 CA ARG A 355 10.154 -8.428 12.026 1.00 0.00 C ATOM 1170 C ARG A 355 9.987 -7.148 11.217 1.00 0.00 C ATOM 1171 O ARG A 355 8.904 -6.565 11.235 1.00 0.00 O ATOM 1172 CB ARG A 355 9.230 -9.541 11.507 1.00 0.00 C ATOM 1173 CG ARG A 355 9.970 -10.743 10.912 1.00 0.00 C ATOM 1174 CD ARG A 355 10.993 -11.324 11.891 1.00 0.00 C ATOM 1175 NE ARG A 355 11.586 -12.570 11.391 1.00 0.00 N ATOM 1176 CZ ARG A 355 12.435 -12.657 10.360 1.00 0.00 C ATOM 1177 NH1 ARG A 355 12.780 -11.586 9.649 1.00 0.00 N ATOM 1178 NH2 ARG A 355 12.952 -13.835 10.031 1.00 0.00 N ATOM 0 H ARG A 355 9.045 -7.342 13.404 1.00 0.00 H new ATOM 0 HA ARG A 355 11.178 -8.795 11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 355 8.599 -9.886 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 355 8.568 -9.124 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 355 9.250 -11.514 10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 355 10.476 -10.441 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 355 11.782 -10.593 12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 355 10.511 -11.511 12.850 1.00 0.00 H new ATOM 0 HE ARG A 355 11.332 -13.436 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 355 12.395 -10.671 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 355 13.429 -11.680 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 355 12.702 -14.668 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 355 13.599 -13.907 9.246 1.00 0.00 H new ATOM 1192 N TYR A 356 11.033 -6.702 10.514 1.00 0.00 N ATOM 1193 CA TYR A 356 10.958 -5.405 9.858 1.00 0.00 C ATOM 1194 C TYR A 356 9.892 -5.395 8.766 1.00 0.00 C ATOM 1195 O TYR A 356 9.432 -6.449 8.338 1.00 0.00 O ATOM 1196 CB TYR A 356 12.348 -4.893 9.452 1.00 0.00 C ATOM 1197 CG TYR A 356 13.036 -5.354 8.178 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.694 -6.596 8.100 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.040 -4.500 7.061 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.411 -6.943 6.946 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.744 -4.850 5.902 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.445 -6.067 5.843 1.00 0.00 C ATOM 1203 OH TYR A 356 15.152 -6.393 4.725 1.00 0.00 O ATOM 0 H TYR A 356 11.912 -7.205 10.390 1.00 0.00 H new ATOM 0 HA TYR A 356 10.609 -4.660 10.573 1.00 0.00 H new ATOM 0 HB2 TYR A 356 12.279 -3.807 9.396 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.022 -5.128 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.646 -7.284 8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 356 12.496 -3.568 7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 356 14.939 -7.884 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 356 13.748 -4.184 5.052 1.00 0.00 H new ATOM 0 HH TYR A 356 15.065 -5.676 4.063 1.00 0.00 H new ATOM 1213 N ILE A 357 9.489 -4.211 8.306 1.00 0.00 N ATOM 1214 CA ILE A 357 8.396 -4.085 7.354 1.00 0.00 C ATOM 1215 C ILE A 357 8.801 -3.107 6.266 1.00 0.00 C ATOM 1216 O ILE A 357 9.600 -2.207 6.509 1.00 0.00 O ATOM 1217 CB ILE A 357 7.128 -3.582 8.056 1.00 0.00 C ATOM 1218 CG1 ILE A 357 6.729 -4.424 9.274 1.00 0.00 C ATOM 1219 CG2 ILE A 357 5.979 -3.600 7.049 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.274 -5.833 8.903 1.00 0.00 C ATOM 0 H ILE A 357 9.909 -3.323 8.582 1.00 0.00 H new ATOM 0 HA ILE A 357 8.185 -5.062 6.918 1.00 0.00 H new ATOM 0 HB ILE A 357 7.338 -2.577 8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 357 7.576 -4.490 9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 357 5.926 -3.919 9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.068 -3.245 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.222 -2.950 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.827 -4.617 6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.005 -6.379 9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.408 -5.774 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.084 -6.354 8.392 1.00 0.00 H new ATOM 1232 N GLU A 358 8.248 -3.280 5.066 1.00 0.00 N ATOM 1233 CA GLU A 358 8.613 -2.464 3.926 1.00 0.00 C ATOM 1234 C GLU A 358 7.396 -2.191 3.048 1.00 0.00 C ATOM 1235 O GLU A 358 6.489 -3.015 2.951 1.00 0.00 O ATOM 1236 CB GLU A 358 9.692 -3.192 3.119 1.00 0.00 C ATOM 1237 CG GLU A 358 10.886 -3.575 3.993 1.00 0.00 C ATOM 1238 CD GLU A 358 12.041 -4.123 3.158 1.00 0.00 C ATOM 1239 OE1 GLU A 358 11.956 -5.307 2.768 1.00 0.00 O ATOM 1240 OE2 GLU A 358 12.998 -3.356 2.915 1.00 0.00 O ATOM 0 H GLU A 358 7.540 -3.986 4.865 1.00 0.00 H new ATOM 0 HA GLU A 358 8.998 -1.507 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.267 -4.089 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.028 -2.554 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.223 -2.702 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.578 -4.323 4.724 1.00 0.00 H new ATOM 1247 N LEU A 359 7.388 -1.021 2.407 1.00 0.00 N ATOM 1248 CA LEU A 359 6.335 -0.607 1.494 1.00 0.00 C ATOM 1249 C LEU A 359 6.956 0.244 0.386 1.00 0.00 C ATOM 1250 O LEU A 359 7.834 1.063 0.649 1.00 0.00 O ATOM 1251 CB LEU A 359 5.202 0.083 2.273 1.00 0.00 C ATOM 1252 CG LEU A 359 5.500 1.406 2.999 1.00 0.00 C ATOM 1253 CD1 LEU A 359 6.838 1.442 3.730 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.427 2.602 2.054 1.00 0.00 C ATOM 0 H LEU A 359 8.128 -0.327 2.513 1.00 0.00 H new ATOM 0 HA LEU A 359 5.867 -1.463 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.386 0.267 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.833 -0.625 3.015 1.00 0.00 H new ATOM 0 HG LEU A 359 4.716 1.471 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.963 2.412 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.862 0.656 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.647 1.285 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.644 3.516 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.158 2.479 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.427 2.666 1.625 1.00 0.00 H new ATOM 1266 N PHE A 360 6.510 0.058 -0.859 1.00 0.00 N ATOM 1267 CA PHE A 360 7.218 0.608 -2.010 1.00 0.00 C ATOM 1268 C PHE A 360 6.227 1.295 -2.952 1.00 0.00 C ATOM 1269 O PHE A 360 5.301 0.661 -3.457 1.00 0.00 O ATOM 1270 CB PHE A 360 7.992 -0.533 -2.692 1.00 0.00 C ATOM 1271 CG PHE A 360 9.385 -0.182 -3.182 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.578 0.869 -4.093 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.502 -0.908 -2.733 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.866 1.182 -4.551 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.778 -0.595 -3.187 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.971 0.447 -4.099 1.00 0.00 C ATOM 0 H PHE A 360 5.667 -0.467 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 360 7.934 1.370 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.072 -1.363 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.407 -0.888 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.730 1.439 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.368 -1.716 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.007 1.991 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.627 -1.161 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.964 0.684 -4.453 1.00 0.00 H new ATOM 1286 N LEU A 361 6.437 2.597 -3.178 1.00 0.00 N ATOM 1287 CA LEU A 361 5.525 3.468 -3.912 1.00 0.00 C ATOM 1288 C LEU A 361 5.218 2.921 -5.309 1.00 0.00 C ATOM 1289 O LEU A 361 6.110 2.427 -5.997 1.00 0.00 O ATOM 1290 CB LEU A 361 6.155 4.869 -3.970 1.00 0.00 C ATOM 1291 CG LEU A 361 5.186 6.037 -3.733 1.00 0.00 C ATOM 1292 CD1 LEU A 361 4.094 6.112 -4.794 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.517 5.951 -2.361 1.00 0.00 C ATOM 0 H LEU A 361 7.270 3.082 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 361 4.565 3.517 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 361 6.950 4.922 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.622 4.999 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 361 5.799 6.937 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 361 3.436 6.954 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 361 4.549 6.247 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 361 3.515 5.188 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.840 6.795 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 361 3.955 5.020 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.279 5.976 -1.582 1.00 0.00 H new ATOM 1305 N ASN A 362 3.950 3.012 -5.722 1.00 0.00 N ATOM 1306 CA ASN A 362 3.476 2.510 -6.996 1.00 0.00 C ATOM 1307 C ASN A 362 2.274 3.340 -7.465 1.00 0.00 C ATOM 1308 O ASN A 362 1.175 2.816 -7.656 1.00 0.00 O ATOM 1309 CB ASN A 362 3.118 1.037 -6.807 1.00 0.00 C ATOM 1310 CG ASN A 362 2.553 0.428 -8.076 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.101 0.601 -9.162 1.00 0.00 O ATOM 1312 ND2 ASN A 362 1.446 -0.292 -7.940 1.00 0.00 N ATOM 0 H ASN A 362 3.217 3.447 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 362 4.241 2.595 -7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 362 4.006 0.483 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.390 0.940 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.017 -0.727 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 362 1.024 -0.410 -7.019 1.00 0.00 H new ATOM 1319 N SER A 363 2.469 4.650 -7.653 1.00 0.00 N ATOM 1320 CA SER A 363 1.378 5.494 -8.122 1.00 0.00 C ATOM 1321 C SER A 363 1.831 6.762 -8.839 1.00 0.00 C ATOM 1322 O SER A 363 1.106 7.247 -9.706 1.00 0.00 O ATOM 1323 CB SER A 363 0.530 5.900 -6.922 1.00 0.00 C ATOM 1324 OG SER A 363 1.244 6.789 -6.087 1.00 0.00 O ATOM 0 H SER A 363 3.352 5.135 -7.491 1.00 0.00 H new ATOM 0 HA SER A 363 0.821 4.904 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.390 6.373 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.242 5.014 -6.357 1.00 0.00 H new ATOM 0 HG SER A 363 0.753 6.916 -5.248 1.00 0.00 H new ATOM 1330 N THR A 364 3.010 7.289 -8.485 1.00 0.00 N ATOM 1331 CA THR A 364 3.516 8.577 -8.960 1.00 0.00 C ATOM 1332 C THR A 364 2.417 9.649 -9.016 1.00 0.00 C ATOM 1333 O THR A 364 1.378 9.516 -8.370 1.00 0.00 O ATOM 1334 CB THR A 364 4.309 8.405 -10.261 1.00 0.00 C ATOM 1335 OG1 THR A 364 5.024 9.588 -10.544 1.00 0.00 O ATOM 1336 CG2 THR A 364 3.411 8.086 -11.447 1.00 0.00 C ATOM 0 H THR A 364 3.651 6.819 -7.846 1.00 0.00 H new ATOM 0 HA THR A 364 4.226 8.962 -8.228 1.00 0.00 H new ATOM 0 HB THR A 364 4.989 7.566 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 364 5.531 9.473 -11.375 1.00 0.00 H new ATOM 0 HG21 THR A 364 4.020 7.974 -12.344 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.872 7.158 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 364 2.698 8.897 -11.592 1.00 0.00 H new ATOM 1344 N THR A 365 2.639 10.718 -9.784 1.00 0.00 N ATOM 1345 CA THR A 365 1.743 11.867 -9.847 1.00 0.00 C ATOM 1346 C THR A 365 1.325 12.160 -11.291 1.00 0.00 C ATOM 1347 O THR A 365 0.800 13.229 -11.596 1.00 0.00 O ATOM 1348 CB THR A 365 2.439 13.057 -9.184 1.00 0.00 C ATOM 1349 OG1 THR A 365 1.563 14.157 -9.071 1.00 0.00 O ATOM 1350 CG2 THR A 365 3.670 13.455 -9.994 1.00 0.00 C ATOM 0 H THR A 365 3.457 10.808 -10.386 1.00 0.00 H new ATOM 0 HA THR A 365 0.820 11.657 -9.307 1.00 0.00 H new ATOM 0 HB THR A 365 2.745 12.759 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 365 1.023 14.230 -9.885 1.00 0.00 H new ATOM 0 HG21 THR A 365 4.161 14.303 -9.517 1.00 0.00 H new ATOM 0 HG22 THR A 365 4.362 12.614 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 365 3.367 13.732 -11.004 1.00 0.00 H new