USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 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 338 HIS : no HD1:sc= 0.211 K(o=0.85,f=-3.4) USER MOD Set 1.2: A 363 SER OG : rot 79:sc= 0.636 USER MOD Set 2.1: A 310 SER OG : rot 166:sc= 0.252 USER MOD Set 2.2: A 346 SER OG : rot -109:sc= 0.00304 USER MOD Set 2.3: A 347 LYS NZ :NH3+ -160:sc= 0.676 (180deg=0.0979) USER MOD Set 3.1: A 301 THR OG1 : rot 180:sc=-0.000296 USER MOD Set 3.2: A 303 ASN : amide:sc= -1.1 K(o=-1.1,f=1.2) USER MOD Single : A 289 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-1.6) USER MOD Single : A 290 CYS SG : rot 180:sc= -0.505 USER MOD Single : A 292 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0029) USER MOD Single : A 293 MET CE :methyl 165:sc= -0.671 (180deg=-1.26) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.19) USER MOD Single : A 313 ASN : amide:sc= 0.148 X(o=0.15,f=-0.026) USER MOD Single : A 318 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.24) USER MOD Single : A 337 THR OG1 : rot -11:sc= 1.03 USER MOD Single : A 345 MET CE :methyl -160:sc= -2.51 (180deg=-3.29!) USER MOD Single : A 351 ASN : amide:sc= -0.296 K(o=-0.3,f=-3!) USER MOD Single : A 352 MET CE :methyl -151:sc= -0.354 (180deg=-1.14) USER MOD Single : A 353 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.013) USER MOD Single : A 354 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.42) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.96) USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot -46:sc= 0.621 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.665 5.185 -6.230 1.00 0.00 N ATOM 160 CA HIS A 289 -3.219 5.099 -6.107 1.00 0.00 C ATOM 161 C HIS A 289 -2.887 4.005 -5.096 1.00 0.00 C ATOM 162 O HIS A 289 -3.607 3.864 -4.111 1.00 0.00 O ATOM 163 CB HIS A 289 -2.719 6.470 -5.646 1.00 0.00 C ATOM 164 CG HIS A 289 -3.023 7.557 -6.643 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.136 8.136 -7.524 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.237 8.156 -6.842 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.807 9.063 -8.229 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.094 9.118 -7.848 1.00 0.00 N ATOM 0 HA HIS A 289 -2.736 4.843 -7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.179 6.719 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.643 6.424 -5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.150 7.926 -6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.370 9.681 -8.999 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.818 9.734 -8.216 1.00 0.00 H new ATOM 176 N CYS A 290 -1.819 3.226 -5.314 1.00 0.00 N ATOM 177 CA CYS A 290 -1.563 2.079 -4.455 1.00 0.00 C ATOM 178 C CYS A 290 -0.096 1.947 -4.054 1.00 0.00 C ATOM 179 O CYS A 290 0.783 2.637 -4.568 1.00 0.00 O ATOM 180 CB CYS A 290 -2.019 0.803 -5.173 1.00 0.00 C ATOM 181 SG CYS A 290 -3.773 0.919 -5.612 1.00 0.00 S ATOM 0 H CYS A 290 -1.138 3.369 -6.060 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.127 2.230 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.422 0.651 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.855 -0.062 -4.531 1.00 0.00 H new ATOM 0 HG CYS A 290 -4.141 -0.169 -6.221 1.00 0.00 H new ATOM 187 N VAL A 291 0.131 1.029 -3.112 1.00 0.00 N ATOM 188 CA VAL A 291 1.426 0.620 -2.585 1.00 0.00 C ATOM 189 C VAL A 291 1.243 -0.829 -2.137 1.00 0.00 C ATOM 190 O VAL A 291 0.111 -1.259 -1.912 1.00 0.00 O ATOM 191 CB VAL A 291 1.814 1.518 -1.399 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.054 1.031 -0.643 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.108 2.940 -1.878 1.00 0.00 C ATOM 0 H VAL A 291 -0.637 0.522 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 291 2.222 0.708 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 291 0.959 1.486 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.269 1.712 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 291 2.870 0.032 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 291 3.906 1.002 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.381 3.562 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.932 2.921 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.221 3.353 -2.359 1.00 0.00 H new ATOM 203 N HIS A 292 2.330 -1.590 -2.000 1.00 0.00 N ATOM 204 CA HIS A 292 2.240 -2.959 -1.518 1.00 0.00 C ATOM 205 C HIS A 292 3.114 -3.107 -0.286 1.00 0.00 C ATOM 206 O HIS A 292 4.018 -2.303 -0.082 1.00 0.00 O ATOM 207 CB HIS A 292 2.623 -3.946 -2.622 1.00 0.00 C ATOM 208 CG HIS A 292 4.070 -3.884 -3.028 1.00 0.00 C ATOM 209 ND1 HIS A 292 4.596 -3.163 -4.075 1.00 0.00 N ATOM 210 CD2 HIS A 292 5.111 -4.539 -2.425 1.00 0.00 C ATOM 211 CE1 HIS A 292 5.921 -3.389 -4.103 1.00 0.00 C ATOM 212 NE2 HIS A 292 6.287 -4.223 -3.113 1.00 0.00 N ATOM 0 H HIS A 292 3.277 -1.278 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 292 1.212 -3.189 -1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 292 2.394 -4.957 -2.285 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.003 -3.754 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 292 5.036 -5.188 -1.565 1.00 0.00 H new ATOM 0 HE1 HIS A 292 6.601 -2.959 -4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 292 7.229 -4.556 -2.907 1.00 0.00 H new ATOM 220 N MET A 293 2.850 -4.128 0.533 1.00 0.00 N ATOM 221 CA MET A 293 3.579 -4.324 1.773 1.00 0.00 C ATOM 222 C MET A 293 3.551 -5.783 2.226 1.00 0.00 C ATOM 223 O MET A 293 2.706 -6.566 1.791 1.00 0.00 O ATOM 224 CB MET A 293 2.976 -3.393 2.833 1.00 0.00 C ATOM 225 CG MET A 293 1.664 -3.904 3.433 1.00 0.00 C ATOM 226 SD MET A 293 1.844 -5.163 4.728 1.00 0.00 S ATOM 227 CE MET A 293 2.790 -4.216 5.953 1.00 0.00 C ATOM 0 H MET A 293 2.133 -4.830 0.352 1.00 0.00 H new ATOM 0 HA MET A 293 4.630 -4.079 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 293 3.701 -3.254 3.635 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.803 -2.414 2.386 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.118 -3.056 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 293 1.052 -4.316 2.630 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.763 -4.733 6.912 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.824 -4.122 5.621 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.352 -3.224 6.063 1.00 0.00 H new ATOM 237 N ARG A 294 4.493 -6.131 3.109 1.00 0.00 N ATOM 238 CA ARG A 294 4.618 -7.448 3.731 1.00 0.00 C ATOM 239 C ARG A 294 5.321 -7.278 5.075 1.00 0.00 C ATOM 240 O ARG A 294 5.467 -6.158 5.558 1.00 0.00 O ATOM 241 CB ARG A 294 5.431 -8.415 2.861 1.00 0.00 C ATOM 242 CG ARG A 294 4.876 -8.599 1.452 1.00 0.00 C ATOM 243 CD ARG A 294 5.634 -9.744 0.782 1.00 0.00 C ATOM 244 NE ARG A 294 5.306 -9.842 -0.640 1.00 0.00 N ATOM 245 CZ ARG A 294 5.927 -9.150 -1.600 1.00 0.00 C ATOM 246 NH1 ARG A 294 6.943 -8.339 -1.312 1.00 0.00 N ATOM 247 NH2 ARG A 294 5.530 -9.268 -2.864 1.00 0.00 N ATOM 0 H ARG A 294 5.213 -5.479 3.419 1.00 0.00 H new ATOM 0 HA ARG A 294 3.620 -7.869 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 294 6.456 -8.051 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 294 5.470 -9.386 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 294 3.810 -8.821 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 294 4.990 -7.680 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 294 6.707 -9.590 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 294 5.390 -10.683 1.279 1.00 0.00 H new ATOM 0 HE ARG A 294 4.557 -10.477 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 294 7.258 -8.239 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 294 7.406 -7.818 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 294 4.753 -9.886 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 294 6.002 -8.741 -3.598 1.00 0.00 H new ATOM 261 N GLY A 295 5.759 -8.382 5.685 1.00 0.00 N ATOM 262 CA GLY A 295 6.414 -8.349 6.985 1.00 0.00 C ATOM 263 C GLY A 295 5.489 -8.763 8.127 1.00 0.00 C ATOM 264 O GLY A 295 5.917 -8.766 9.278 1.00 0.00 O ATOM 0 H GLY A 295 5.668 -9.318 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.280 -9.011 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 295 6.787 -7.342 7.173 1.00 0.00 H new ATOM 268 N LEU A 296 4.233 -9.111 7.823 1.00 0.00 N ATOM 269 CA LEU A 296 3.250 -9.430 8.849 1.00 0.00 C ATOM 270 C LEU A 296 2.847 -10.909 8.923 1.00 0.00 C ATOM 271 O LEU A 296 2.842 -11.423 10.032 1.00 0.00 O ATOM 272 CB LEU A 296 1.983 -8.597 8.615 1.00 0.00 C ATOM 273 CG LEU A 296 2.249 -7.099 8.455 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.910 -6.392 8.277 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.940 -6.492 9.671 1.00 0.00 C ATOM 0 H LEU A 296 3.879 -9.177 6.869 1.00 0.00 H new ATOM 0 HA LEU A 296 3.734 -9.194 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 296 1.478 -8.964 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 296 1.301 -8.748 9.452 1.00 0.00 H new ATOM 0 HG LEU A 296 2.905 -6.970 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 296 1.077 -5.321 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.409 -6.780 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.286 -6.569 9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 296 3.104 -5.428 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.312 -6.628 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.898 -6.986 9.829 1.00 0.00 H new ATOM 344 N ALA A 300 0.942 -10.524 12.554 1.00 0.00 N ATOM 345 CA ALA A 300 0.200 -9.271 12.485 1.00 0.00 C ATOM 346 C ALA A 300 -0.760 -9.266 11.292 1.00 0.00 C ATOM 347 O ALA A 300 -0.796 -10.228 10.525 1.00 0.00 O ATOM 348 CB ALA A 300 1.208 -8.127 12.378 1.00 0.00 C ATOM 0 HA ALA A 300 -0.406 -9.150 13.383 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.676 -7.177 12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.857 -8.131 13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.811 -8.256 11.479 1.00 0.00 H new ATOM 354 N THR A 301 -1.536 -8.186 11.131 1.00 0.00 N ATOM 355 CA THR A 301 -2.562 -8.097 10.091 1.00 0.00 C ATOM 356 C THR A 301 -2.798 -6.661 9.633 1.00 0.00 C ATOM 357 O THR A 301 -2.127 -5.731 10.072 1.00 0.00 O ATOM 358 CB THR A 301 -3.897 -8.678 10.584 1.00 0.00 C ATOM 359 OG1 THR A 301 -3.952 -8.715 11.994 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.089 -10.089 10.041 1.00 0.00 C ATOM 0 H THR A 301 -1.469 -7.354 11.717 1.00 0.00 H new ATOM 0 HA THR A 301 -2.190 -8.677 9.247 1.00 0.00 H new ATOM 0 HB THR A 301 -4.693 -8.028 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.813 -9.087 12.278 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.038 -10.490 10.397 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.092 -10.062 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.274 -10.726 10.386 1.00 0.00 H new ATOM 368 N GLU A 302 -3.772 -6.487 8.733 1.00 0.00 N ATOM 369 CA GLU A 302 -4.133 -5.194 8.174 1.00 0.00 C ATOM 370 C GLU A 302 -4.418 -4.143 9.245 1.00 0.00 C ATOM 371 O GLU A 302 -4.186 -2.958 9.014 1.00 0.00 O ATOM 372 CB GLU A 302 -5.336 -5.362 7.246 1.00 0.00 C ATOM 373 CG GLU A 302 -6.642 -5.461 8.029 1.00 0.00 C ATOM 374 CD GLU A 302 -7.783 -5.974 7.152 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.340 -5.154 6.389 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.089 -7.182 7.252 1.00 0.00 O ATOM 0 H GLU A 302 -4.336 -7.256 8.372 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.276 -4.827 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.387 -4.517 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.206 -6.259 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.507 -6.129 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.902 -4.481 8.430 1.00 0.00 H new ATOM 383 N ASN A 303 -4.917 -4.564 10.412 1.00 0.00 N ATOM 384 CA ASN A 303 -5.191 -3.645 11.508 1.00 0.00 C ATOM 385 C ASN A 303 -3.919 -2.931 11.967 1.00 0.00 C ATOM 386 O ASN A 303 -3.996 -1.909 12.645 1.00 0.00 O ATOM 387 CB ASN A 303 -5.856 -4.388 12.669 1.00 0.00 C ATOM 388 CG ASN A 303 -4.810 -5.095 13.510 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.747 -4.921 14.723 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.981 -5.900 12.856 1.00 0.00 N ATOM 0 H ASN A 303 -5.138 -5.539 10.616 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.880 -2.881 11.148 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.415 -3.685 13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.573 -5.113 12.283 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.254 -6.405 13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.071 -6.014 11.846 1.00 0.00 H new ATOM 397 N ASP A 304 -2.751 -3.469 11.597 1.00 0.00 N ATOM 398 CA ASP A 304 -1.466 -2.884 11.909 1.00 0.00 C ATOM 399 C ASP A 304 -0.869 -2.162 10.705 1.00 0.00 C ATOM 400 O ASP A 304 -0.039 -1.270 10.876 1.00 0.00 O ATOM 401 CB ASP A 304 -0.537 -4.006 12.369 1.00 0.00 C ATOM 402 CG ASP A 304 -1.030 -4.676 13.650 1.00 0.00 C ATOM 403 OD1 ASP A 304 -1.154 -3.958 14.666 1.00 0.00 O ATOM 404 OD2 ASP A 304 -1.279 -5.902 13.601 1.00 0.00 O ATOM 0 H ASP A 304 -2.684 -4.336 11.065 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.590 -2.140 12.696 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -0.454 -4.753 11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.462 -3.603 12.533 1.00 0.00 H new ATOM 409 N ILE A 305 -1.282 -2.533 9.491 1.00 0.00 N ATOM 410 CA ILE A 305 -0.795 -1.898 8.273 1.00 0.00 C ATOM 411 C ILE A 305 -1.187 -0.429 8.239 1.00 0.00 C ATOM 412 O ILE A 305 -0.323 0.445 8.204 1.00 0.00 O ATOM 413 CB ILE A 305 -1.409 -2.593 7.062 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.889 -4.026 6.958 1.00 0.00 C ATOM 415 CG2 ILE A 305 -1.071 -1.821 5.780 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.495 -4.727 5.746 1.00 0.00 C ATOM 0 H ILE A 305 -1.960 -3.278 9.329 1.00 0.00 H new ATOM 0 HA ILE A 305 0.292 -1.980 8.252 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.492 -2.617 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.198 -4.020 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.137 -4.576 7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.515 -2.327 4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.469 -0.808 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.011 -1.778 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.114 -5.746 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.580 -4.750 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.224 -4.186 4.840 1.00 0.00 H new ATOM 428 N TYR A 306 -2.494 -0.140 8.249 1.00 0.00 N ATOM 429 CA TYR A 306 -2.941 1.239 8.164 1.00 0.00 C ATOM 430 C TYR A 306 -2.716 1.958 9.493 1.00 0.00 C ATOM 431 O TYR A 306 -3.157 3.091 9.674 1.00 0.00 O ATOM 432 CB TYR A 306 -4.385 1.328 7.658 1.00 0.00 C ATOM 433 CG TYR A 306 -5.461 0.851 8.608 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.868 -0.493 8.622 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.061 1.771 9.477 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.866 -0.916 9.511 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.065 1.361 10.360 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.470 0.011 10.387 1.00 0.00 C ATOM 439 OH TYR A 306 -8.441 -0.396 11.254 1.00 0.00 O ATOM 0 H TYR A 306 -3.240 -0.832 8.314 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.337 1.761 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.593 2.366 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.461 0.749 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.411 -1.202 7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.746 2.804 9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.173 -1.951 9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.530 2.078 11.021 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.748 0.369 11.784 1.00 0.00 H new ATOM 449 N ASN A 307 -2.024 1.285 10.418 1.00 0.00 N ATOM 450 CA ASN A 307 -1.700 1.803 11.732 1.00 0.00 C ATOM 451 C ASN A 307 -0.203 2.113 11.876 1.00 0.00 C ATOM 452 O ASN A 307 0.185 2.753 12.852 1.00 0.00 O ATOM 453 CB ASN A 307 -2.182 0.749 12.729 1.00 0.00 C ATOM 454 CG ASN A 307 -1.340 0.685 13.990 1.00 0.00 C ATOM 455 OD1 ASN A 307 -1.652 1.310 14.999 1.00 0.00 O ATOM 456 ND2 ASN A 307 -0.260 -0.085 13.921 1.00 0.00 N ATOM 0 H ASN A 307 -1.669 0.342 10.260 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.193 2.758 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.216 0.962 13.001 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.175 -0.228 12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 307 0.353 -0.177 14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -0.044 -0.585 13.058 1.00 0.00 H new ATOM 463 N PHE A 308 0.645 1.681 10.932 1.00 0.00 N ATOM 464 CA PHE A 308 2.076 1.973 11.006 1.00 0.00 C ATOM 465 C PHE A 308 2.567 2.773 9.801 1.00 0.00 C ATOM 466 O PHE A 308 3.652 3.351 9.850 1.00 0.00 O ATOM 467 CB PHE A 308 2.877 0.672 11.133 1.00 0.00 C ATOM 468 CG PHE A 308 3.553 0.241 9.846 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.813 -0.380 8.831 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.926 0.469 9.664 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.435 -0.746 7.628 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.550 0.102 8.464 1.00 0.00 C ATOM 473 CZ PHE A 308 4.803 -0.502 7.442 1.00 0.00 C ATOM 0 H PHE A 308 0.365 1.134 10.118 1.00 0.00 H new ATOM 0 HA PHE A 308 2.234 2.587 11.892 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.635 0.797 11.906 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.210 -0.123 11.466 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.761 -0.577 8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.504 0.929 10.452 1.00 0.00 H new ATOM 0 HE1 PHE A 308 2.859 -1.216 6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.606 0.284 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.281 -0.779 6.514 1.00 0.00 H new ATOM 483 N PHE A 309 1.780 2.813 8.721 1.00 0.00 N ATOM 484 CA PHE A 309 2.166 3.505 7.500 1.00 0.00 C ATOM 485 C PHE A 309 2.447 4.985 7.751 1.00 0.00 C ATOM 486 O PHE A 309 3.408 5.524 7.205 1.00 0.00 O ATOM 487 CB PHE A 309 1.036 3.360 6.479 1.00 0.00 C ATOM 488 CG PHE A 309 1.393 2.530 5.267 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.258 3.062 4.306 1.00 0.00 C ATOM 490 CD2 PHE A 309 0.862 1.242 5.091 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.554 2.336 3.145 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.168 0.509 3.934 1.00 0.00 C ATOM 493 CZ PHE A 309 2.011 1.058 2.959 1.00 0.00 C ATOM 0 H PHE A 309 0.864 2.367 8.674 1.00 0.00 H new ATOM 0 HA PHE A 309 3.086 3.057 7.123 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.174 2.910 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.732 4.353 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.699 4.036 4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.218 0.816 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.201 2.762 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.753 -0.479 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.242 0.497 2.065 1.00 0.00 H new ATOM 503 N SER A 310 1.606 5.625 8.574 1.00 0.00 N ATOM 504 CA SER A 310 1.637 7.053 8.887 1.00 0.00 C ATOM 505 C SER A 310 0.280 7.457 9.477 1.00 0.00 C ATOM 506 O SER A 310 -0.622 6.622 9.541 1.00 0.00 O ATOM 507 CB SER A 310 1.956 7.874 7.630 1.00 0.00 C ATOM 508 OG SER A 310 3.313 8.260 7.639 1.00 0.00 O ATOM 0 H SER A 310 0.854 5.137 9.059 1.00 0.00 H new ATOM 0 HA SER A 310 2.422 7.254 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 310 1.742 7.286 6.737 1.00 0.00 H new ATOM 0 HB3 SER A 310 1.318 8.757 7.590 1.00 0.00 H new ATOM 0 HG SER A 310 3.566 8.586 6.750 1.00 0.00 H new ATOM 514 N PRO A 311 0.121 8.720 9.908 1.00 0.00 N ATOM 515 CA PRO A 311 -1.126 9.310 10.397 1.00 0.00 C ATOM 516 C PRO A 311 -2.277 9.292 9.380 1.00 0.00 C ATOM 517 O PRO A 311 -3.243 10.039 9.530 1.00 0.00 O ATOM 518 CB PRO A 311 -0.777 10.755 10.770 1.00 0.00 C ATOM 519 CG PRO A 311 0.732 10.725 10.990 1.00 0.00 C ATOM 520 CD PRO A 311 1.188 9.700 9.960 1.00 0.00 C ATOM 0 HA PRO A 311 -1.495 8.721 11.237 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -1.051 11.450 9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.305 11.074 11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 311 1.187 11.701 10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.989 10.424 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 311 1.347 10.163 8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 311 2.132 9.240 10.252 1.00 0.00 H new ATOM 528 N LEU A 312 -2.171 8.444 8.354 1.00 0.00 N ATOM 529 CA LEU A 312 -3.120 8.294 7.258 1.00 0.00 C ATOM 530 C LEU A 312 -4.482 7.760 7.722 1.00 0.00 C ATOM 531 O LEU A 312 -4.868 7.903 8.880 1.00 0.00 O ATOM 532 CB LEU A 312 -2.508 7.364 6.211 1.00 0.00 C ATOM 533 CG LEU A 312 -1.119 7.827 5.773 1.00 0.00 C ATOM 534 CD1 LEU A 312 -0.598 6.851 4.743 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.119 9.171 5.062 1.00 0.00 C ATOM 0 H LEU A 312 -1.376 7.811 8.265 1.00 0.00 H new ATOM 0 HA LEU A 312 -3.309 9.279 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.442 6.355 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.164 7.315 5.342 1.00 0.00 H new ATOM 0 HG LEU A 312 -0.523 7.895 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 312 0.394 7.162 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -0.539 5.855 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.273 6.831 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.099 9.434 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.737 9.109 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.520 9.935 5.728 1.00 0.00 H new ATOM 547 N ASN A 313 -5.213 7.136 6.793 1.00 0.00 N ATOM 548 CA ASN A 313 -6.603 6.759 6.960 1.00 0.00 C ATOM 549 C ASN A 313 -6.800 5.274 6.647 1.00 0.00 C ATOM 550 O ASN A 313 -5.967 4.675 5.971 1.00 0.00 O ATOM 551 CB ASN A 313 -7.384 7.629 5.975 1.00 0.00 C ATOM 552 CG ASN A 313 -7.018 9.094 6.114 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.331 9.735 7.112 1.00 0.00 O ATOM 554 ND2 ASN A 313 -6.347 9.631 5.101 1.00 0.00 N ATOM 0 H ASN A 313 -4.835 6.876 5.882 1.00 0.00 H new ATOM 0 HA ASN A 313 -6.942 6.909 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.182 7.298 4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.453 7.503 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -6.072 10.613 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -6.107 9.062 4.289 1.00 0.00 H new ATOM 561 N PRO A 314 -7.894 4.671 7.129 1.00 0.00 N ATOM 562 CA PRO A 314 -8.189 3.252 6.992 1.00 0.00 C ATOM 563 C PRO A 314 -8.863 2.917 5.661 1.00 0.00 C ATOM 564 O PRO A 314 -9.237 1.769 5.424 1.00 0.00 O ATOM 565 CB PRO A 314 -9.139 2.986 8.151 1.00 0.00 C ATOM 566 CG PRO A 314 -9.977 4.260 8.193 1.00 0.00 C ATOM 567 CD PRO A 314 -8.942 5.341 7.878 1.00 0.00 C ATOM 0 HA PRO A 314 -7.285 2.643 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.753 2.102 7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.603 2.823 9.086 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.782 4.242 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.439 4.411 9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.384 6.150 7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.548 5.785 8.792 1.00 0.00 H new ATOM 575 N VAL A 315 -9.015 3.924 4.800 1.00 0.00 N ATOM 576 CA VAL A 315 -9.678 3.844 3.496 1.00 0.00 C ATOM 577 C VAL A 315 -9.038 2.856 2.516 1.00 0.00 C ATOM 578 O VAL A 315 -9.433 2.845 1.350 1.00 0.00 O ATOM 579 CB VAL A 315 -9.659 5.228 2.823 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.300 6.318 3.674 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.224 5.663 2.511 1.00 0.00 C ATOM 0 H VAL A 315 -8.664 4.860 5.001 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.687 3.491 3.710 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.241 5.113 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.254 7.269 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.341 6.062 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.764 6.404 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.236 6.644 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.650 5.715 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.763 4.940 1.838 1.00 0.00 H new ATOM 591 N ARG A 316 -8.070 2.032 2.933 1.00 0.00 N ATOM 592 CA ARG A 316 -7.146 1.471 1.954 1.00 0.00 C ATOM 593 C ARG A 316 -6.682 0.030 2.133 1.00 0.00 C ATOM 594 O ARG A 316 -6.184 -0.530 1.161 1.00 0.00 O ATOM 595 CB ARG A 316 -5.923 2.389 1.940 1.00 0.00 C ATOM 596 CG ARG A 316 -5.302 2.494 3.334 1.00 0.00 C ATOM 597 CD ARG A 316 -4.171 3.512 3.299 1.00 0.00 C ATOM 598 NE ARG A 316 -3.754 3.862 4.659 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.641 3.435 5.257 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.826 2.584 4.641 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.347 3.867 6.479 1.00 0.00 N ATOM 0 H ARG A 316 -7.912 1.750 3.901 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.709 1.424 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.184 2.006 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.212 3.380 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -6.057 2.795 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.924 1.522 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.324 3.105 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.496 4.408 2.770 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.364 4.482 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -2.050 2.252 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.977 2.263 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -2.971 4.520 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.498 3.545 6.943 1.00 0.00 H new ATOM 615 N VAL A 317 -6.809 -0.598 3.304 1.00 0.00 N ATOM 616 CA VAL A 317 -6.222 -1.931 3.451 1.00 0.00 C ATOM 617 C VAL A 317 -6.869 -2.967 2.537 1.00 0.00 C ATOM 618 O VAL A 317 -8.069 -2.920 2.265 1.00 0.00 O ATOM 619 CB VAL A 317 -6.207 -2.434 4.893 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.900 -1.968 5.527 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.408 -1.976 5.721 1.00 0.00 C ATOM 0 H VAL A 317 -7.287 -0.229 4.126 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.185 -1.806 3.140 1.00 0.00 H new ATOM 0 HB VAL A 317 -6.278 -3.522 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.855 -2.310 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -4.058 -2.381 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.852 -0.879 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.325 -2.373 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.429 -0.887 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.327 -2.341 5.262 1.00 0.00 H new ATOM 631 N HIS A 318 -6.043 -3.909 2.071 1.00 0.00 N ATOM 632 CA HIS A 318 -6.438 -5.007 1.207 1.00 0.00 C ATOM 633 C HIS A 318 -5.401 -6.125 1.333 1.00 0.00 C ATOM 634 O HIS A 318 -4.275 -5.880 1.767 1.00 0.00 O ATOM 635 CB HIS A 318 -6.491 -4.493 -0.228 1.00 0.00 C ATOM 636 CG HIS A 318 -6.854 -5.548 -1.237 1.00 0.00 C ATOM 637 ND1 HIS A 318 -8.119 -6.002 -1.531 1.00 0.00 N ATOM 638 CD2 HIS A 318 -5.980 -6.234 -2.034 1.00 0.00 C ATOM 639 CE1 HIS A 318 -8.003 -6.938 -2.490 1.00 0.00 C ATOM 640 NE2 HIS A 318 -6.715 -7.117 -2.834 1.00 0.00 N ATOM 0 H HIS A 318 -5.049 -3.921 2.297 1.00 0.00 H new ATOM 0 HA HIS A 318 -7.417 -5.395 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.217 -3.682 -0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.520 -4.072 -0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -4.907 -6.115 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -8.833 -7.474 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -6.349 -7.763 -3.534 1.00 0.00 H new ATOM 648 N ILE A 319 -5.770 -7.352 0.955 1.00 0.00 N ATOM 649 CA ILE A 319 -4.908 -8.516 1.124 1.00 0.00 C ATOM 650 C ILE A 319 -5.049 -9.446 -0.081 1.00 0.00 C ATOM 651 O ILE A 319 -6.124 -9.551 -0.671 1.00 0.00 O ATOM 652 CB ILE A 319 -5.272 -9.213 2.445 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.925 -8.267 3.605 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.517 -10.537 2.603 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.308 -8.827 4.970 1.00 0.00 C ATOM 0 H ILE A 319 -6.671 -7.562 0.526 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.861 -8.216 1.175 1.00 0.00 H new ATOM 0 HB ILE A 319 -6.338 -9.442 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.855 -8.062 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.434 -7.315 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.797 -11.005 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.773 -11.202 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.444 -10.347 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -5.037 -8.111 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.383 -9.006 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.779 -9.765 5.140 1.00 0.00 H new ATOM 667 N GLU A 320 -3.954 -10.120 -0.443 1.00 0.00 N ATOM 668 CA GLU A 320 -3.867 -10.953 -1.629 1.00 0.00 C ATOM 669 C GLU A 320 -3.011 -12.186 -1.342 1.00 0.00 C ATOM 670 O GLU A 320 -2.195 -12.187 -0.419 1.00 0.00 O ATOM 671 CB GLU A 320 -3.249 -10.081 -2.724 1.00 0.00 C ATOM 672 CG GLU A 320 -3.077 -10.800 -4.058 1.00 0.00 C ATOM 673 CD GLU A 320 -4.420 -11.221 -4.651 1.00 0.00 C ATOM 674 OE1 GLU A 320 -4.899 -12.314 -4.275 1.00 0.00 O ATOM 675 OE2 GLU A 320 -4.958 -10.448 -5.476 1.00 0.00 O ATOM 0 H GLU A 320 -3.089 -10.096 0.097 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.845 -11.317 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.876 -9.202 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -2.276 -9.724 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -2.559 -10.146 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -2.449 -11.680 -3.919 1.00 0.00 H new ATOM 817 N ALA A 331 0.020 -8.270 0.887 1.00 0.00 N ATOM 818 CA ALA A 331 -0.999 -7.265 1.118 1.00 0.00 C ATOM 819 C ALA A 331 -0.702 -5.997 0.324 1.00 0.00 C ATOM 820 O ALA A 331 0.421 -5.782 -0.129 1.00 0.00 O ATOM 821 CB ALA A 331 -1.059 -6.953 2.614 1.00 0.00 C ATOM 0 HA ALA A 331 -1.963 -7.649 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.823 -6.198 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -1.306 -7.860 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -0.091 -6.578 2.947 1.00 0.00 H new ATOM 827 N ASP A 332 -1.724 -5.157 0.162 1.00 0.00 N ATOM 828 CA ASP A 332 -1.613 -3.910 -0.574 1.00 0.00 C ATOM 829 C ASP A 332 -2.504 -2.854 0.059 1.00 0.00 C ATOM 830 O ASP A 332 -3.314 -3.151 0.938 1.00 0.00 O ATOM 831 CB ASP A 332 -2.036 -4.104 -2.035 1.00 0.00 C ATOM 832 CG ASP A 332 -1.347 -5.291 -2.704 1.00 0.00 C ATOM 833 OD1 ASP A 332 -1.896 -6.410 -2.600 1.00 0.00 O ATOM 834 OD2 ASP A 332 -0.278 -5.069 -3.314 1.00 0.00 O ATOM 0 H ASP A 332 -2.655 -5.329 0.542 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.572 -3.588 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.116 -4.246 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -1.811 -3.197 -2.596 1.00 0.00 H new ATOM 839 N VAL A 333 -2.351 -1.611 -0.396 1.00 0.00 N ATOM 840 CA VAL A 333 -3.182 -0.510 0.047 1.00 0.00 C ATOM 841 C VAL A 333 -3.548 0.367 -1.146 1.00 0.00 C ATOM 842 O VAL A 333 -2.887 0.323 -2.183 1.00 0.00 O ATOM 843 CB VAL A 333 -2.465 0.292 1.139 1.00 0.00 C ATOM 844 CG1 VAL A 333 -2.266 -0.552 2.398 1.00 0.00 C ATOM 845 CG2 VAL A 333 -1.101 0.784 0.662 1.00 0.00 C ATOM 0 H VAL A 333 -1.645 -1.347 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 333 -4.104 -0.899 0.479 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.098 1.149 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.755 0.041 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.236 -0.871 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.665 -1.429 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.619 1.349 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.479 -0.070 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.230 1.425 -0.210 1.00 0.00 H new ATOM 855 N GLU A 334 -4.607 1.165 -0.991 1.00 0.00 N ATOM 856 CA GLU A 334 -5.138 2.023 -2.037 1.00 0.00 C ATOM 857 C GLU A 334 -5.307 3.444 -1.497 1.00 0.00 C ATOM 858 O GLU A 334 -6.413 3.881 -1.181 1.00 0.00 O ATOM 859 CB GLU A 334 -6.450 1.435 -2.563 1.00 0.00 C ATOM 860 CG GLU A 334 -6.947 2.207 -3.787 1.00 0.00 C ATOM 861 CD GLU A 334 -8.261 1.624 -4.305 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.213 0.515 -4.885 1.00 0.00 O ATOM 863 OE2 GLU A 334 -9.303 2.289 -4.117 1.00 0.00 O ATOM 0 H GLU A 334 -5.125 1.229 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.445 2.075 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.304 0.387 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -7.206 1.465 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -7.088 3.256 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.194 2.172 -4.574 1.00 0.00 H new ATOM 870 N PHE A 335 -4.186 4.162 -1.393 1.00 0.00 N ATOM 871 CA PHE A 335 -4.142 5.530 -0.904 1.00 0.00 C ATOM 872 C PHE A 335 -5.023 6.460 -1.728 1.00 0.00 C ATOM 873 O PHE A 335 -5.158 6.309 -2.945 1.00 0.00 O ATOM 874 CB PHE A 335 -2.697 6.020 -0.943 1.00 0.00 C ATOM 875 CG PHE A 335 -1.850 5.324 0.089 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.171 5.468 1.444 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.756 4.537 -0.297 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.422 4.797 2.412 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.002 3.874 0.680 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.344 3.992 2.033 1.00 0.00 C ATOM 0 H PHE A 335 -3.270 3.796 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.524 5.541 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.280 5.846 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.672 7.096 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.997 6.097 1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.496 4.442 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.676 4.900 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.845 3.270 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.225 3.462 2.783 1.00 0.00 H new ATOM 890 N ALA A 336 -5.618 7.432 -1.034 1.00 0.00 N ATOM 891 CA ALA A 336 -6.353 8.507 -1.664 1.00 0.00 C ATOM 892 C ALA A 336 -5.330 9.485 -2.241 1.00 0.00 C ATOM 893 O ALA A 336 -4.686 10.233 -1.502 1.00 0.00 O ATOM 894 CB ALA A 336 -7.273 9.160 -0.627 1.00 0.00 C ATOM 0 H ALA A 336 -5.598 7.487 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.989 8.151 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.830 9.972 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.970 8.417 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.674 9.557 0.192 1.00 0.00 H new ATOM 900 N THR A 337 -5.194 9.464 -3.572 1.00 0.00 N ATOM 901 CA THR A 337 -4.270 10.277 -4.354 1.00 0.00 C ATOM 902 C THR A 337 -2.818 9.920 -4.061 1.00 0.00 C ATOM 903 O THR A 337 -2.499 9.282 -3.057 1.00 0.00 O ATOM 904 CB THR A 337 -4.516 11.783 -4.200 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.108 12.248 -2.936 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.988 12.131 -4.422 1.00 0.00 C ATOM 0 H THR A 337 -5.756 8.846 -4.158 1.00 0.00 H new ATOM 0 HA THR A 337 -4.470 10.038 -5.398 1.00 0.00 H new ATOM 0 HB THR A 337 -3.916 12.279 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.911 11.484 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.129 13.206 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.285 11.833 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.601 11.603 -3.691 1.00 0.00 H new ATOM 914 N HIS A 338 -1.924 10.339 -4.956 1.00 0.00 N ATOM 915 CA HIS A 338 -0.505 10.089 -4.786 1.00 0.00 C ATOM 916 C HIS A 338 0.039 10.871 -3.588 1.00 0.00 C ATOM 917 O HIS A 338 1.144 10.608 -3.126 1.00 0.00 O ATOM 918 CB HIS A 338 0.218 10.472 -6.075 1.00 0.00 C ATOM 919 CG HIS A 338 1.678 10.115 -6.066 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.216 8.848 -6.093 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.720 10.999 -6.032 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.554 8.973 -6.087 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.914 10.268 -6.060 1.00 0.00 N ATOM 0 H HIS A 338 -2.164 10.853 -5.804 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.336 9.031 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.265 9.975 -6.916 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.114 11.545 -6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.637 12.075 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.247 8.145 -6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.863 10.642 -6.060 1.00 0.00 H new ATOM 931 N GLU A 339 -0.732 11.836 -3.076 1.00 0.00 N ATOM 932 CA GLU A 339 -0.316 12.635 -1.935 1.00 0.00 C ATOM 933 C GLU A 339 -0.324 11.804 -0.658 1.00 0.00 C ATOM 934 O GLU A 339 0.595 11.918 0.151 1.00 0.00 O ATOM 935 CB GLU A 339 -1.249 13.835 -1.801 1.00 0.00 C ATOM 936 CG GLU A 339 -1.019 14.757 -2.996 1.00 0.00 C ATOM 937 CD GLU A 339 -1.944 15.972 -2.950 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.699 16.854 -2.096 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.890 16.012 -3.768 1.00 0.00 O ATOM 0 H GLU A 339 -1.653 12.078 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 339 0.704 12.984 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.288 13.507 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.054 14.365 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.019 15.089 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.187 14.205 -3.921 1.00 0.00 H new ATOM 946 N GLU A 340 -1.345 10.966 -0.459 1.00 0.00 N ATOM 947 CA GLU A 340 -1.305 10.030 0.657 1.00 0.00 C ATOM 948 C GLU A 340 -0.338 8.889 0.347 1.00 0.00 C ATOM 949 O GLU A 340 0.107 8.208 1.267 1.00 0.00 O ATOM 950 CB GLU A 340 -2.699 9.498 0.987 1.00 0.00 C ATOM 951 CG GLU A 340 -3.538 10.622 1.599 1.00 0.00 C ATOM 952 CD GLU A 340 -4.896 10.132 2.107 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.009 8.925 2.423 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.816 10.976 2.177 1.00 0.00 O ATOM 0 H GLU A 340 -2.183 10.918 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 340 -0.946 10.560 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.180 9.120 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.626 8.662 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.987 11.074 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.693 11.402 0.854 1.00 0.00 H new ATOM 961 N ALA A 341 -0.006 8.668 -0.931 1.00 0.00 N ATOM 962 CA ALA A 341 0.945 7.623 -1.284 1.00 0.00 C ATOM 963 C ALA A 341 2.385 8.031 -0.952 1.00 0.00 C ATOM 964 O ALA A 341 3.190 7.179 -0.582 1.00 0.00 O ATOM 965 CB ALA A 341 0.817 7.287 -2.768 1.00 0.00 C ATOM 0 H ALA A 341 -0.378 9.193 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 341 0.711 6.739 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.531 6.505 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.195 6.939 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.024 8.177 -3.362 1.00 0.00 H new ATOM 971 N VAL A 342 2.732 9.319 -1.074 1.00 0.00 N ATOM 972 CA VAL A 342 4.068 9.778 -0.705 1.00 0.00 C ATOM 973 C VAL A 342 4.146 10.075 0.787 1.00 0.00 C ATOM 974 O VAL A 342 5.222 9.981 1.374 1.00 0.00 O ATOM 975 CB VAL A 342 4.482 11.020 -1.501 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.515 10.697 -2.992 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.544 12.198 -1.254 1.00 0.00 C ATOM 0 H VAL A 342 2.111 10.050 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 342 4.760 8.972 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 342 5.476 11.308 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.810 11.585 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.233 9.898 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.525 10.377 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.876 13.056 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.532 11.926 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.554 12.455 -0.195 1.00 0.00 H new ATOM 987 N ALA A 343 3.016 10.431 1.409 1.00 0.00 N ATOM 988 CA ALA A 343 2.966 10.596 2.851 1.00 0.00 C ATOM 989 C ALA A 343 3.070 9.225 3.520 1.00 0.00 C ATOM 990 O ALA A 343 3.384 9.125 4.705 1.00 0.00 O ATOM 991 CB ALA A 343 1.662 11.291 3.239 1.00 0.00 C ATOM 0 H ALA A 343 2.132 10.608 0.932 1.00 0.00 H new ATOM 0 HA ALA A 343 3.800 11.213 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.624 11.415 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.614 12.269 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.816 10.686 2.913 1.00 0.00 H new ATOM 997 N ALA A 344 2.803 8.168 2.743 1.00 0.00 N ATOM 998 CA ALA A 344 2.950 6.793 3.173 1.00 0.00 C ATOM 999 C ALA A 344 4.361 6.271 2.891 1.00 0.00 C ATOM 1000 O ALA A 344 4.825 5.351 3.561 1.00 0.00 O ATOM 1001 CB ALA A 344 1.954 5.954 2.383 1.00 0.00 C ATOM 0 H ALA A 344 2.473 8.258 1.782 1.00 0.00 H new ATOM 0 HA ALA A 344 2.771 6.731 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.039 4.910 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.942 6.308 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 344 2.167 6.043 1.318 1.00 0.00 H new ATOM 1007 N MET A 345 5.044 6.858 1.901 1.00 0.00 N ATOM 1008 CA MET A 345 6.385 6.454 1.499 1.00 0.00 C ATOM 1009 C MET A 345 7.435 7.070 2.430 1.00 0.00 C ATOM 1010 O MET A 345 8.403 7.680 1.978 1.00 0.00 O ATOM 1011 CB MET A 345 6.619 6.839 0.035 1.00 0.00 C ATOM 1012 CG MET A 345 7.865 6.166 -0.551 1.00 0.00 C ATOM 1013 SD MET A 345 7.612 4.550 -1.346 1.00 0.00 S ATOM 1014 CE MET A 345 7.145 3.498 0.052 1.00 0.00 C ATOM 0 H MET A 345 4.672 7.635 1.354 1.00 0.00 H new ATOM 0 HA MET A 345 6.481 5.371 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.746 6.560 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.723 7.921 -0.042 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.306 6.842 -1.284 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.595 6.043 0.249 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.307 2.452 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.754 3.753 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.093 3.654 0.289 1.00 0.00 H new ATOM 1024 N SER A 346 7.239 6.906 3.739 1.00 0.00 N ATOM 1025 CA SER A 346 8.127 7.442 4.764 1.00 0.00 C ATOM 1026 C SER A 346 8.494 6.356 5.772 1.00 0.00 C ATOM 1027 O SER A 346 8.940 6.658 6.879 1.00 0.00 O ATOM 1028 CB SER A 346 7.449 8.629 5.450 1.00 0.00 C ATOM 1029 OG SER A 346 6.272 8.200 6.101 1.00 0.00 O ATOM 0 H SER A 346 6.446 6.389 4.120 1.00 0.00 H new ATOM 0 HA SER A 346 9.052 7.787 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 346 8.130 9.081 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.209 9.397 4.714 1.00 0.00 H new ATOM 0 HG SER A 346 5.489 8.540 5.619 1.00 0.00 H new ATOM 1035 N LYS A 347 8.307 5.089 5.383 1.00 0.00 N ATOM 1036 CA LYS A 347 8.522 3.926 6.234 1.00 0.00 C ATOM 1037 C LYS A 347 9.383 2.882 5.527 1.00 0.00 C ATOM 1038 O LYS A 347 9.231 1.687 5.775 1.00 0.00 O ATOM 1039 CB LYS A 347 7.174 3.321 6.642 1.00 0.00 C ATOM 1040 CG LYS A 347 6.308 4.282 7.456 1.00 0.00 C ATOM 1041 CD LYS A 347 6.995 4.692 8.761 1.00 0.00 C ATOM 1042 CE LYS A 347 6.055 5.552 9.602 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.567 6.723 8.848 1.00 0.00 N ATOM 0 H LYS A 347 7.994 4.845 4.443 1.00 0.00 H new ATOM 0 HA LYS A 347 9.053 4.248 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.631 3.022 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.350 2.417 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.093 5.171 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.352 3.810 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.287 3.804 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.908 5.245 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.207 4.951 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.574 5.888 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.224 7.446 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.343 7.117 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.789 6.433 8.221 1.00 0.00 H new ATOM 1057 N ASP A 348 10.285 3.325 4.646 1.00 0.00 N ATOM 1058 CA ASP A 348 11.205 2.434 3.953 1.00 0.00 C ATOM 1059 C ASP A 348 11.858 1.480 4.952 1.00 0.00 C ATOM 1060 O ASP A 348 12.591 1.899 5.847 1.00 0.00 O ATOM 1061 CB ASP A 348 12.229 3.246 3.154 1.00 0.00 C ATOM 1062 CG ASP A 348 13.072 4.171 4.032 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.508 5.173 4.527 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.274 3.868 4.203 1.00 0.00 O ATOM 0 H ASP A 348 10.394 4.308 4.398 1.00 0.00 H new ATOM 0 HA ASP A 348 10.657 1.823 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.888 2.563 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 348 11.708 3.841 2.404 1.00 0.00 H new ATOM 1069 N ARG A 349 11.566 0.188 4.768 1.00 0.00 N ATOM 1070 CA ARG A 349 11.971 -0.913 5.631 1.00 0.00 C ATOM 1071 C ARG A 349 12.017 -0.542 7.117 1.00 0.00 C ATOM 1072 O ARG A 349 12.951 -0.905 7.830 1.00 0.00 O ATOM 1073 CB ARG A 349 13.215 -1.605 5.079 1.00 0.00 C ATOM 1074 CG ARG A 349 14.363 -0.665 4.745 1.00 0.00 C ATOM 1075 CD ARG A 349 15.271 -1.449 3.807 1.00 0.00 C ATOM 1076 NE ARG A 349 16.367 -0.627 3.282 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.464 -0.291 3.967 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.638 -0.695 5.223 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.397 0.458 3.387 1.00 0.00 N ATOM 0 H ARG A 349 11.013 -0.128 3.971 1.00 0.00 H new ATOM 0 HA ARG A 349 11.185 -1.668 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.562 -2.337 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.940 -2.156 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.999 0.245 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.897 -0.362 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.684 -2.307 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.683 -1.840 2.977 1.00 0.00 H new ATOM 0 HE ARG A 349 16.286 -0.287 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.928 -1.270 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.481 -0.430 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.273 0.773 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.237 0.718 3.904 1.00 0.00 H new ATOM 1093 N ALA A 350 10.988 0.187 7.564 1.00 0.00 N ATOM 1094 CA ALA A 350 10.758 0.536 8.961 1.00 0.00 C ATOM 1095 C ALA A 350 10.469 -0.719 9.793 1.00 0.00 C ATOM 1096 O ALA A 350 10.684 -1.839 9.331 1.00 0.00 O ATOM 1097 CB ALA A 350 9.582 1.516 9.027 1.00 0.00 C ATOM 0 H ALA A 350 10.273 0.560 6.940 1.00 0.00 H new ATOM 0 HA ALA A 350 11.650 1.004 9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 350 9.394 1.789 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 350 9.822 2.411 8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 350 8.692 1.045 8.609 1.00 0.00 H new ATOM 1103 N ASN A 351 9.982 -0.539 11.025 1.00 0.00 N ATOM 1104 CA ASN A 351 9.678 -1.638 11.933 1.00 0.00 C ATOM 1105 C ASN A 351 8.286 -1.460 12.545 1.00 0.00 C ATOM 1106 O ASN A 351 7.588 -0.498 12.225 1.00 0.00 O ATOM 1107 CB ASN A 351 10.778 -1.739 12.998 1.00 0.00 C ATOM 1108 CG ASN A 351 10.913 -0.485 13.853 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.070 0.407 13.825 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.990 -0.407 14.628 1.00 0.00 N ATOM 0 H ASN A 351 9.788 0.382 11.418 1.00 0.00 H new ATOM 0 HA ASN A 351 9.659 -2.579 11.382 1.00 0.00 H new ATOM 0 HB2 ASN A 351 10.568 -2.590 13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 351 11.731 -1.939 12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 351 12.133 0.410 15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 351 12.673 -1.165 14.630 1.00 0.00 H new ATOM 1117 N MET A 352 7.875 -2.383 13.425 1.00 0.00 N ATOM 1118 CA MET A 352 6.535 -2.345 13.999 1.00 0.00 C ATOM 1119 C MET A 352 6.499 -2.812 15.455 1.00 0.00 C ATOM 1120 O MET A 352 5.728 -2.266 16.242 1.00 0.00 O ATOM 1121 CB MET A 352 5.628 -3.221 13.133 1.00 0.00 C ATOM 1122 CG MET A 352 4.185 -3.187 13.625 1.00 0.00 C ATOM 1123 SD MET A 352 3.046 -4.170 12.617 1.00 0.00 S ATOM 1124 CE MET A 352 3.024 -3.172 11.105 1.00 0.00 C ATOM 0 H MET A 352 8.452 -3.159 13.750 1.00 0.00 H new ATOM 0 HA MET A 352 6.189 -1.311 14.008 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.669 -2.879 12.099 1.00 0.00 H new ATOM 0 HB3 MET A 352 5.993 -4.248 13.144 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.152 -3.550 14.652 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.841 -2.153 13.642 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.063 -3.292 10.604 1.00 0.00 H new ATOM 0 HE2 MET A 352 3.172 -2.123 11.360 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.823 -3.500 10.441 1.00 0.00 H new ATOM 1134 N GLN A 353 7.313 -3.805 15.833 1.00 0.00 N ATOM 1135 CA GLN A 353 7.362 -4.257 17.221 1.00 0.00 C ATOM 1136 C GLN A 353 8.609 -5.078 17.539 1.00 0.00 C ATOM 1137 O GLN A 353 9.140 -4.972 18.643 1.00 0.00 O ATOM 1138 CB GLN A 353 6.124 -5.089 17.553 1.00 0.00 C ATOM 1139 CG GLN A 353 5.921 -6.285 16.624 1.00 0.00 C ATOM 1140 CD GLN A 353 4.543 -6.878 16.864 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.405 -8.048 17.206 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.513 -6.057 16.680 1.00 0.00 N ATOM 0 H GLN A 353 7.939 -4.304 15.201 1.00 0.00 H new ATOM 0 HA GLN A 353 7.393 -3.356 17.833 1.00 0.00 H new ATOM 0 HB2 GLN A 353 6.202 -5.447 18.580 1.00 0.00 H new ATOM 0 HB3 GLN A 353 5.243 -4.449 17.505 1.00 0.00 H new ATOM 0 HG2 GLN A 353 6.019 -5.973 15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.690 -7.036 16.806 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.675 -5.091 16.395 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.561 -6.393 16.824 1.00 0.00 H new ATOM 1151 N HIS A 354 9.081 -5.892 16.589 1.00 0.00 N ATOM 1152 CA HIS A 354 10.223 -6.761 16.847 1.00 0.00 C ATOM 1153 C HIS A 354 10.955 -7.183 15.569 1.00 0.00 C ATOM 1154 O HIS A 354 11.921 -7.945 15.636 1.00 0.00 O ATOM 1155 CB HIS A 354 9.726 -7.984 17.624 1.00 0.00 C ATOM 1156 CG HIS A 354 9.292 -9.135 16.754 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.787 -10.419 16.804 1.00 0.00 N ATOM 1158 CD2 HIS A 354 8.341 -9.111 15.771 1.00 0.00 C ATOM 1159 CE1 HIS A 354 9.145 -11.143 15.871 1.00 0.00 C ATOM 1160 NE2 HIS A 354 8.251 -10.389 15.210 1.00 0.00 N ATOM 0 H HIS A 354 8.693 -5.964 15.648 1.00 0.00 H new ATOM 0 HA HIS A 354 10.955 -6.205 17.433 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.520 -8.325 18.289 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.889 -7.684 18.254 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.758 -8.250 15.478 1.00 0.00 H new ATOM 0 HE1 HIS A 354 9.324 -12.191 15.679 1.00 0.00 H new ATOM 0 HE2 HIS A 354 7.634 -10.687 14.455 1.00 0.00 H new ATOM 1168 N ARG A 355 10.504 -6.695 14.408 1.00 0.00 N ATOM 1169 CA ARG A 355 11.078 -7.032 13.114 1.00 0.00 C ATOM 1170 C ARG A 355 10.833 -5.885 12.140 1.00 0.00 C ATOM 1171 O ARG A 355 10.016 -5.006 12.416 1.00 0.00 O ATOM 1172 CB ARG A 355 10.448 -8.334 12.597 1.00 0.00 C ATOM 1173 CG ARG A 355 8.941 -8.187 12.354 1.00 0.00 C ATOM 1174 CD ARG A 355 8.329 -9.508 11.883 1.00 0.00 C ATOM 1175 NE ARG A 355 8.760 -9.857 10.523 1.00 0.00 N ATOM 1176 CZ ARG A 355 9.701 -10.759 10.227 1.00 0.00 C ATOM 1177 NH1 ARG A 355 10.353 -11.414 11.185 1.00 0.00 N ATOM 1178 NH2 ARG A 355 10.000 -11.011 8.955 1.00 0.00 N ATOM 0 H ARG A 355 9.719 -6.047 14.347 1.00 0.00 H new ATOM 0 HA ARG A 355 12.153 -7.184 13.210 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.937 -8.630 11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 355 10.623 -9.132 13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.451 -7.862 13.272 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.763 -7.413 11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 355 8.613 -10.305 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.242 -9.435 11.912 1.00 0.00 H new ATOM 0 HE ARG A 355 8.307 -9.375 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 355 10.138 -11.231 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 355 11.068 -12.099 10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 355 9.512 -10.516 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 355 10.718 -11.699 8.726 1.00 0.00 H new ATOM 1192 N TYR A 356 11.533 -5.889 11.004 1.00 0.00 N ATOM 1193 CA TYR A 356 11.365 -4.851 10.002 1.00 0.00 C ATOM 1194 C TYR A 356 10.109 -5.145 9.176 1.00 0.00 C ATOM 1195 O TYR A 356 9.536 -6.228 9.299 1.00 0.00 O ATOM 1196 CB TYR A 356 12.680 -4.680 9.218 1.00 0.00 C ATOM 1197 CG TYR A 356 12.763 -5.127 7.772 1.00 0.00 C ATOM 1198 CD1 TYR A 356 12.196 -4.318 6.777 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.416 -6.319 7.410 1.00 0.00 C ATOM 1200 CE1 TYR A 356 12.282 -4.680 5.428 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.502 -6.691 6.061 1.00 0.00 C ATOM 1202 CZ TYR A 356 12.932 -5.875 5.064 1.00 0.00 C ATOM 1203 OH TYR A 356 13.011 -6.239 3.753 1.00 0.00 O ATOM 0 H TYR A 356 12.220 -6.602 10.761 1.00 0.00 H new ATOM 0 HA TYR A 356 11.181 -3.871 10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 356 12.939 -3.622 9.246 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.457 -5.212 9.767 1.00 0.00 H new ATOM 0 HD1 TYR A 356 11.688 -3.406 7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 356 13.852 -6.948 8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 356 11.851 -4.045 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.006 -7.605 5.785 1.00 0.00 H new ATOM 0 HH TYR A 356 13.493 -7.089 3.678 1.00 0.00 H new ATOM 1213 N ILE A 357 9.660 -4.208 8.336 1.00 0.00 N ATOM 1214 CA ILE A 357 8.424 -4.367 7.575 1.00 0.00 C ATOM 1215 C ILE A 357 8.649 -3.929 6.129 1.00 0.00 C ATOM 1216 O ILE A 357 9.427 -3.014 5.871 1.00 0.00 O ATOM 1217 CB ILE A 357 7.317 -3.521 8.222 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.133 -3.816 9.717 1.00 0.00 C ATOM 1219 CG2 ILE A 357 5.991 -3.763 7.499 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.558 -5.206 9.999 1.00 0.00 C ATOM 0 H ILE A 357 10.141 -3.325 8.167 1.00 0.00 H new ATOM 0 HA ILE A 357 8.122 -5.414 7.580 1.00 0.00 H new ATOM 0 HB ILE A 357 7.625 -2.479 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.096 -3.721 10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.473 -3.064 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.209 -3.161 7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.092 -3.483 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.726 -4.818 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.455 -5.346 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.580 -5.298 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.229 -5.966 9.597 1.00 0.00 H new ATOM 1232 N GLU A 358 7.972 -4.576 5.175 1.00 0.00 N ATOM 1233 CA GLU A 358 8.146 -4.255 3.767 1.00 0.00 C ATOM 1234 C GLU A 358 7.108 -3.264 3.272 1.00 0.00 C ATOM 1235 O GLU A 358 6.020 -3.157 3.834 1.00 0.00 O ATOM 1236 CB GLU A 358 7.918 -5.486 2.896 1.00 0.00 C ATOM 1237 CG GLU A 358 9.106 -6.428 2.834 1.00 0.00 C ATOM 1238 CD GLU A 358 9.138 -7.046 1.432 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.213 -7.831 1.124 1.00 0.00 O ATOM 1240 OE2 GLU A 358 10.083 -6.735 0.675 1.00 0.00 O ATOM 0 H GLU A 358 7.301 -5.322 5.358 1.00 0.00 H new ATOM 0 HA GLU A 358 9.158 -3.857 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 358 7.054 -6.032 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.671 -5.162 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.032 -5.890 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 358 9.018 -7.206 3.593 1.00 0.00 H new ATOM 1247 N LEU A 359 7.481 -2.551 2.207 1.00 0.00 N ATOM 1248 CA LEU A 359 6.583 -1.841 1.320 1.00 0.00 C ATOM 1249 C LEU A 359 7.387 -1.185 0.201 1.00 0.00 C ATOM 1250 O LEU A 359 8.612 -1.115 0.270 1.00 0.00 O ATOM 1251 CB LEU A 359 5.671 -0.858 2.062 1.00 0.00 C ATOM 1252 CG LEU A 359 6.367 0.083 3.052 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.508 0.898 2.454 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.317 1.080 3.515 1.00 0.00 C ATOM 0 H LEU A 359 8.459 -2.454 1.936 1.00 0.00 H new ATOM 0 HA LEU A 359 5.899 -2.561 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 359 5.144 -0.253 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.916 -1.429 2.603 1.00 0.00 H new ATOM 0 HG LEU A 359 6.793 -0.537 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.943 1.535 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 359 8.272 0.224 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.126 1.518 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.764 1.776 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 359 4.936 1.633 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.497 0.547 3.996 1.00 0.00 H new ATOM 1266 N PHE A 360 6.696 -0.705 -0.833 1.00 0.00 N ATOM 1267 CA PHE A 360 7.337 -0.091 -1.985 1.00 0.00 C ATOM 1268 C PHE A 360 6.262 0.564 -2.858 1.00 0.00 C ATOM 1269 O PHE A 360 5.184 -0.003 -3.040 1.00 0.00 O ATOM 1270 CB PHE A 360 8.116 -1.174 -2.748 1.00 0.00 C ATOM 1271 CG PHE A 360 9.596 -0.885 -2.909 1.00 0.00 C ATOM 1272 CD1 PHE A 360 10.004 0.012 -3.907 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.568 -1.492 -2.088 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.362 0.297 -4.095 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.916 -1.201 -2.273 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.321 -0.314 -3.278 1.00 0.00 C ATOM 0 H PHE A 360 5.678 -0.733 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 360 8.041 0.684 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.998 -2.124 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.672 -1.295 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.265 0.487 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.266 -2.183 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.669 0.986 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.656 -1.663 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.370 -0.102 -3.423 1.00 0.00 H new ATOM 1286 N LEU A 361 6.550 1.755 -3.397 1.00 0.00 N ATOM 1287 CA LEU A 361 5.573 2.568 -4.119 1.00 0.00 C ATOM 1288 C LEU A 361 4.974 1.825 -5.318 1.00 0.00 C ATOM 1289 O LEU A 361 5.662 1.044 -5.975 1.00 0.00 O ATOM 1290 CB LEU A 361 6.245 3.878 -4.562 1.00 0.00 C ATOM 1291 CG LEU A 361 5.445 5.127 -4.164 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.210 6.381 -4.578 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.071 5.166 -4.830 1.00 0.00 C ATOM 0 H LEU A 361 7.475 2.181 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 361 4.742 2.788 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.241 3.936 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.374 3.866 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 361 5.308 5.089 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.640 7.265 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.179 6.398 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.359 6.376 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.541 6.067 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.192 5.172 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.498 4.288 -4.533 1.00 0.00 H new ATOM 1305 N ASN A 362 3.689 2.073 -5.599 1.00 0.00 N ATOM 1306 CA ASN A 362 2.969 1.493 -6.717 1.00 0.00 C ATOM 1307 C ASN A 362 1.922 2.496 -7.227 1.00 0.00 C ATOM 1308 O ASN A 362 0.764 2.151 -7.471 1.00 0.00 O ATOM 1309 CB ASN A 362 2.352 0.175 -6.256 1.00 0.00 C ATOM 1310 CG ASN A 362 1.598 -0.511 -7.379 1.00 0.00 C ATOM 1311 OD1 ASN A 362 2.044 -0.534 -8.523 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.444 -1.077 -7.052 1.00 0.00 N ATOM 0 H ASN A 362 3.115 2.700 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 362 3.634 1.280 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.137 -0.485 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.675 0.361 -5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 362 -0.109 -1.555 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.110 -1.035 -6.089 1.00 0.00 H new ATOM 1319 N SER A 363 2.333 3.758 -7.389 1.00 0.00 N ATOM 1320 CA SER A 363 1.479 4.797 -7.948 1.00 0.00 C ATOM 1321 C SER A 363 2.301 5.973 -8.453 1.00 0.00 C ATOM 1322 O SER A 363 3.507 6.055 -8.230 1.00 0.00 O ATOM 1323 CB SER A 363 0.489 5.288 -6.894 1.00 0.00 C ATOM 1324 OG SER A 363 1.158 6.007 -5.880 1.00 0.00 O ATOM 0 H SER A 363 3.266 4.082 -7.135 1.00 0.00 H new ATOM 0 HA SER A 363 0.937 4.365 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.263 5.923 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 363 -0.037 4.439 -6.458 1.00 0.00 H new ATOM 0 HG SER A 363 1.350 6.915 -6.195 1.00 0.00 H new ATOM 1330 N THR A 364 1.618 6.887 -9.143 1.00 0.00 N ATOM 1331 CA THR A 364 2.195 8.095 -9.694 1.00 0.00 C ATOM 1332 C THR A 364 1.121 9.179 -9.662 1.00 0.00 C ATOM 1333 O THR A 364 -0.068 8.873 -9.718 1.00 0.00 O ATOM 1334 CB THR A 364 2.652 7.791 -11.121 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.746 6.900 -11.105 1.00 0.00 O ATOM 1336 CG2 THR A 364 3.084 9.054 -11.844 1.00 0.00 C ATOM 0 H THR A 364 0.620 6.797 -9.335 1.00 0.00 H new ATOM 0 HA THR A 364 3.057 8.442 -9.124 1.00 0.00 H new ATOM 0 HB THR A 364 1.805 7.346 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.028 6.712 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.403 8.803 -12.856 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.247 9.751 -11.890 1.00 0.00 H new ATOM 0 HG23 THR A 364 3.912 9.516 -11.306 1.00 0.00 H new ATOM 1344 N THR A 365 1.537 10.445 -9.574 1.00 0.00 N ATOM 1345 CA THR A 365 0.644 11.598 -9.489 1.00 0.00 C ATOM 1346 C THR A 365 -0.133 11.851 -10.791 1.00 0.00 C ATOM 1347 O THR A 365 -0.708 12.921 -10.976 1.00 0.00 O ATOM 1348 CB THR A 365 1.466 12.817 -9.054 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.630 13.918 -8.776 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.481 13.199 -10.128 1.00 0.00 C ATOM 0 H THR A 365 2.525 10.700 -9.560 1.00 0.00 H new ATOM 0 HA THR A 365 -0.125 11.394 -8.744 1.00 0.00 H new ATOM 0 HB THR A 365 2.000 12.545 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.033 14.014 -9.491 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.052 14.066 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.159 12.363 -10.302 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.958 13.441 -11.053 1.00 0.00 H new