USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 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 293 MET CE :methyl 176:sc= -2.75! (180deg=-2.7!) USER MOD Set 1.2: A 352 MET CE :methyl 170:sc= -2.32 (180deg=-2.69) USER MOD Set 2.1: A 338 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-1) USER MOD Set 2.2: A 363 SER OG : rot -90:sc= 0 USER MOD Set 3.1: A 301 THR OG1 : rot 57:sc= 0.588 USER MOD Set 3.2: A 303 ASN :FLIP amide:sc= 0.496 F(o=-2.4!,f=1.1) USER MOD Set 4.1: A 290 CYS SG : rot 30:sc= 0.132 USER MOD Set 4.2: A 362 ASN : amide:sc= -0.334 K(o=-0.2,f=-0.91) USER MOD Single : A 289 HIS : no HD1:sc= -2.16! X(o=-2.2!,f=-1.8) USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.832 K(o=0.83,f=-0.35) USER MOD Single : A 310 SER OG : rot 166:sc= 0.537 USER MOD Single : A 313 ASN : amide:sc= 0.0998 X(o=0.1,f=-0.042) USER MOD Single : A 318 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.076) USER MOD Single : A 337 THR OG1 : rot -18:sc= 1.11 USER MOD Single : A 345 MET CE :methyl -170:sc= -3.42! (180deg=-3.92!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 164:sc= 1.71 (180deg=1.21) USER MOD Single : A 351 ASN : amide:sc= 0.607 K(o=0.61,f=-11!) USER MOD Single : A 353 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.026) USER MOD Single : A 354 HIS :FLIP no HD1:sc= -0.0295 F(o=-0.56,f=-0.029) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 365 THR OG1 : rot -37:sc= 0.692 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.633 5.645 -6.053 1.00 0.00 N ATOM 160 CA HIS A 289 -3.198 5.435 -5.942 1.00 0.00 C ATOM 161 C HIS A 289 -2.953 4.197 -5.078 1.00 0.00 C ATOM 162 O HIS A 289 -3.814 3.859 -4.272 1.00 0.00 O ATOM 163 CB HIS A 289 -2.603 6.705 -5.329 1.00 0.00 C ATOM 164 CG HIS A 289 -2.773 7.896 -6.235 1.00 0.00 C ATOM 165 ND1 HIS A 289 -1.815 8.449 -7.050 1.00 0.00 N ATOM 166 CD2 HIS A 289 -3.917 8.628 -6.405 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.374 9.489 -7.694 1.00 0.00 C ATOM 168 NE2 HIS A 289 -3.658 9.644 -7.332 1.00 0.00 N ATOM 0 HA HIS A 289 -2.723 5.256 -6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.083 6.906 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.543 6.549 -5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -4.860 8.452 -5.908 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -1.859 10.116 -8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.310 10.355 -7.664 1.00 0.00 H new ATOM 176 N CYS A 290 -1.810 3.508 -5.215 1.00 0.00 N ATOM 177 CA CYS A 290 -1.574 2.306 -4.427 1.00 0.00 C ATOM 178 C CYS A 290 -0.102 2.146 -4.048 1.00 0.00 C ATOM 179 O CYS A 290 0.772 2.809 -4.605 1.00 0.00 O ATOM 180 CB CYS A 290 -2.069 1.102 -5.235 1.00 0.00 C ATOM 181 SG CYS A 290 -2.017 -0.424 -4.257 1.00 0.00 S ATOM 0 H CYS A 290 -1.054 3.761 -5.852 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.121 2.381 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -3.089 1.284 -5.573 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.454 0.984 -6.127 1.00 0.00 H new ATOM 0 HG CYS A 290 -2.204 -0.142 -3.002 1.00 0.00 H new ATOM 187 N VAL A 291 0.149 1.251 -3.088 1.00 0.00 N ATOM 188 CA VAL A 291 1.464 0.877 -2.588 1.00 0.00 C ATOM 189 C VAL A 291 1.362 -0.561 -2.073 1.00 0.00 C ATOM 190 O VAL A 291 0.348 -0.938 -1.490 1.00 0.00 O ATOM 191 CB VAL A 291 1.844 1.821 -1.441 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.167 1.437 -0.781 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.997 3.262 -1.929 1.00 0.00 C ATOM 0 H VAL A 291 -0.602 0.745 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 291 2.223 0.947 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 291 1.030 1.736 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.389 2.137 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.091 0.429 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 291 3.966 1.471 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.267 3.904 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.779 3.308 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.055 3.603 -2.358 1.00 0.00 H new ATOM 203 N HIS A 292 2.402 -1.372 -2.285 1.00 0.00 N ATOM 204 CA HIS A 292 2.414 -2.756 -1.828 1.00 0.00 C ATOM 205 C HIS A 292 2.747 -2.831 -0.337 1.00 0.00 C ATOM 206 O HIS A 292 3.223 -1.855 0.236 1.00 0.00 O ATOM 207 CB HIS A 292 3.452 -3.539 -2.633 1.00 0.00 C ATOM 208 CG HIS A 292 3.183 -3.522 -4.114 1.00 0.00 C ATOM 209 ND1 HIS A 292 2.135 -4.137 -4.761 1.00 0.00 N ATOM 210 CD2 HIS A 292 3.936 -2.893 -5.069 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.259 -3.881 -6.075 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.345 -3.126 -6.316 1.00 0.00 N ATOM 0 H HIS A 292 3.250 -1.087 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 292 1.425 -3.189 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.441 -3.121 -2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.470 -4.572 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 292 4.832 -2.316 -4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 292 1.578 -4.234 -6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 292 3.672 -2.791 -7.223 1.00 0.00 H new ATOM 220 N MET A 293 2.501 -3.983 0.297 1.00 0.00 N ATOM 221 CA MET A 293 2.832 -4.204 1.700 1.00 0.00 C ATOM 222 C MET A 293 3.035 -5.696 1.954 1.00 0.00 C ATOM 223 O MET A 293 2.304 -6.536 1.432 1.00 0.00 O ATOM 224 CB MET A 293 1.708 -3.641 2.576 1.00 0.00 C ATOM 225 CG MET A 293 1.828 -4.012 4.053 1.00 0.00 C ATOM 226 SD MET A 293 3.138 -3.126 4.928 1.00 0.00 S ATOM 227 CE MET A 293 2.807 -3.718 6.602 1.00 0.00 C ATOM 0 H MET A 293 2.065 -4.787 -0.154 1.00 0.00 H new ATOM 0 HA MET A 293 3.760 -3.690 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 293 1.699 -2.555 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.751 -4.001 2.198 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.876 -3.813 4.546 1.00 0.00 H new ATOM 0 HG3 MET A 293 2.011 -5.083 4.134 1.00 0.00 H new ATOM 0 HE1 MET A 293 3.566 -3.331 7.282 1.00 0.00 H new ATOM 0 HE2 MET A 293 1.824 -3.373 6.922 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.831 -4.808 6.614 1.00 0.00 H new ATOM 237 N ARG A 294 4.042 -6.020 2.767 1.00 0.00 N ATOM 238 CA ARG A 294 4.410 -7.388 3.112 1.00 0.00 C ATOM 239 C ARG A 294 5.369 -7.304 4.300 1.00 0.00 C ATOM 240 O ARG A 294 5.415 -6.271 4.960 1.00 0.00 O ATOM 241 CB ARG A 294 5.052 -8.050 1.887 1.00 0.00 C ATOM 242 CG ARG A 294 4.884 -9.571 1.889 1.00 0.00 C ATOM 243 CD ARG A 294 5.462 -10.124 0.586 1.00 0.00 C ATOM 244 NE ARG A 294 5.181 -11.555 0.430 1.00 0.00 N ATOM 245 CZ ARG A 294 5.601 -12.280 -0.610 1.00 0.00 C ATOM 246 NH1 ARG A 294 6.331 -11.727 -1.577 1.00 0.00 N ATOM 247 NH2 ARG A 294 5.291 -13.571 -0.688 1.00 0.00 N ATOM 0 H ARG A 294 4.636 -5.320 3.212 1.00 0.00 H new ATOM 0 HA ARG A 294 3.550 -7.996 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 294 4.607 -7.639 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.114 -7.805 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.396 -10.008 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 294 3.830 -9.836 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 294 5.043 -9.577 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 294 6.540 -9.961 0.568 1.00 0.00 H new ATOM 0 HE ARG A 294 4.636 -12.022 1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 294 6.576 -10.738 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 294 6.645 -12.292 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 294 4.733 -14.007 0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.611 -14.125 -1.482 1.00 0.00 H new ATOM 261 N GLY A 295 6.140 -8.351 4.604 1.00 0.00 N ATOM 262 CA GLY A 295 7.077 -8.278 5.712 1.00 0.00 C ATOM 263 C GLY A 295 6.425 -8.485 7.075 1.00 0.00 C ATOM 264 O GLY A 295 7.135 -8.511 8.076 1.00 0.00 O ATOM 0 H GLY A 295 6.131 -9.241 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.853 -9.030 5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.569 -7.306 5.698 1.00 0.00 H new ATOM 268 N LEU A 296 5.097 -8.634 7.136 1.00 0.00 N ATOM 269 CA LEU A 296 4.423 -8.830 8.411 1.00 0.00 C ATOM 270 C LEU A 296 5.021 -10.039 9.137 1.00 0.00 C ATOM 271 O LEU A 296 5.416 -11.006 8.485 1.00 0.00 O ATOM 272 CB LEU A 296 2.913 -9.004 8.202 1.00 0.00 C ATOM 273 CG LEU A 296 2.219 -7.718 7.735 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.714 -7.954 7.625 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.436 -6.576 8.728 1.00 0.00 C ATOM 0 H LEU A 296 4.479 -8.622 6.324 1.00 0.00 H new ATOM 0 HA LEU A 296 4.573 -7.946 9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 296 2.742 -9.790 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.459 -9.337 9.135 1.00 0.00 H new ATOM 0 HG LEU A 296 2.647 -7.449 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.225 -7.038 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.522 -8.749 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.319 -8.244 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.932 -5.680 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.028 -6.856 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.503 -6.377 8.826 1.00 0.00 H new ATOM 344 N ALA A 300 0.284 -10.886 12.134 1.00 0.00 N ATOM 345 CA ALA A 300 -0.390 -9.596 12.124 1.00 0.00 C ATOM 346 C ALA A 300 -1.292 -9.473 10.895 1.00 0.00 C ATOM 347 O ALA A 300 -1.256 -10.323 10.006 1.00 0.00 O ATOM 348 CB ALA A 300 0.660 -8.486 12.147 1.00 0.00 C ATOM 0 HA ALA A 300 -1.023 -9.506 13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.164 -7.516 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.266 -8.577 13.049 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.300 -8.573 11.269 1.00 0.00 H new ATOM 354 N THR A 301 -2.099 -8.409 10.853 1.00 0.00 N ATOM 355 CA THR A 301 -3.072 -8.190 9.788 1.00 0.00 C ATOM 356 C THR A 301 -3.253 -6.711 9.489 1.00 0.00 C ATOM 357 O THR A 301 -2.666 -5.837 10.124 1.00 0.00 O ATOM 358 CB THR A 301 -4.440 -8.775 10.165 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.625 -8.772 11.563 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.562 -10.199 9.645 1.00 0.00 C ATOM 0 H THR A 301 -2.093 -7.675 11.561 1.00 0.00 H new ATOM 0 HA THR A 301 -2.682 -8.692 8.903 1.00 0.00 H new ATOM 0 HB THR A 301 -5.208 -8.150 9.709 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.527 -7.858 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.536 -10.604 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.460 -10.200 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.777 -10.815 10.084 1.00 0.00 H new ATOM 368 N GLU A 302 -4.096 -6.453 8.488 1.00 0.00 N ATOM 369 CA GLU A 302 -4.448 -5.125 8.025 1.00 0.00 C ATOM 370 C GLU A 302 -4.813 -4.166 9.156 1.00 0.00 C ATOM 371 O GLU A 302 -4.605 -2.964 9.020 1.00 0.00 O ATOM 372 CB GLU A 302 -5.586 -5.265 7.014 1.00 0.00 C ATOM 373 CG GLU A 302 -6.942 -5.378 7.696 1.00 0.00 C ATOM 374 CD GLU A 302 -8.031 -5.796 6.711 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.195 -7.021 6.519 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.692 -4.889 6.157 1.00 0.00 O ATOM 0 H GLU A 302 -4.564 -7.193 7.965 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.573 -4.677 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.586 -4.403 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.416 -6.147 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.884 -6.105 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.205 -4.421 8.146 1.00 0.00 H new ATOM 383 N ASN A 303 -5.353 -4.685 10.265 1.00 0.00 N ATOM 384 CA ASN A 303 -5.736 -3.870 11.411 1.00 0.00 C ATOM 385 C ASN A 303 -4.559 -3.085 11.998 1.00 0.00 C ATOM 386 O ASN A 303 -4.768 -2.183 12.808 1.00 0.00 O ATOM 387 CB ASN A 303 -6.391 -4.751 12.477 1.00 0.00 C ATOM 388 CG ASN A 303 -5.343 -5.481 13.299 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.339 -6.022 12.621 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -5.435 -5.557 14.519 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.534 -5.681 10.388 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.454 -3.129 11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.009 -4.137 13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -7.053 -5.474 12.000 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -6.225 -5.125 14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.722 -6.052 15.054 1.00 0.00 H new ATOM 397 N ASP A 304 -3.329 -3.422 11.596 1.00 0.00 N ATOM 398 CA ASP A 304 -2.140 -2.712 12.037 1.00 0.00 C ATOM 399 C ASP A 304 -1.358 -2.145 10.852 1.00 0.00 C ATOM 400 O ASP A 304 -0.488 -1.294 11.028 1.00 0.00 O ATOM 401 CB ASP A 304 -1.293 -3.660 12.889 1.00 0.00 C ATOM 402 CG ASP A 304 -0.269 -2.930 13.756 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.415 -1.700 13.927 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.656 -3.615 14.245 1.00 0.00 O ATOM 0 H ASP A 304 -3.138 -4.194 10.957 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.427 -1.854 12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.950 -4.248 13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.774 -4.361 12.235 1.00 0.00 H new ATOM 409 N ILE A 305 -1.660 -2.610 9.637 1.00 0.00 N ATOM 410 CA ILE A 305 -1.036 -2.072 8.438 1.00 0.00 C ATOM 411 C ILE A 305 -1.389 -0.597 8.268 1.00 0.00 C ATOM 412 O ILE A 305 -0.498 0.247 8.194 1.00 0.00 O ATOM 413 CB ILE A 305 -1.538 -2.843 7.222 1.00 0.00 C ATOM 414 CG1 ILE A 305 -1.075 -4.300 7.300 1.00 0.00 C ATOM 415 CG2 ILE A 305 -1.041 -2.179 5.933 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.516 -5.056 6.050 1.00 0.00 C ATOM 0 H ILE A 305 -2.333 -3.357 9.464 1.00 0.00 H new ATOM 0 HA ILE A 305 0.045 -2.172 8.531 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.628 -2.828 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.010 -4.341 7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.491 -4.775 8.188 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.406 -2.738 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.412 -1.155 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.049 -2.170 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.182 -6.092 6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.603 -5.029 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.078 -4.588 5.168 1.00 0.00 H new ATOM 428 N TYR A 306 -2.684 -0.269 8.205 1.00 0.00 N ATOM 429 CA TYR A 306 -3.084 1.115 8.003 1.00 0.00 C ATOM 430 C TYR A 306 -2.855 1.937 9.269 1.00 0.00 C ATOM 431 O TYR A 306 -3.254 3.099 9.337 1.00 0.00 O ATOM 432 CB TYR A 306 -4.528 1.225 7.497 1.00 0.00 C ATOM 433 CG TYR A 306 -5.609 0.798 8.466 1.00 0.00 C ATOM 434 CD1 TYR A 306 -6.154 1.739 9.352 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.074 -0.525 8.479 1.00 0.00 C ATOM 436 CE1 TYR A 306 -7.158 1.362 10.253 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.064 -0.917 9.390 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.612 0.027 10.282 1.00 0.00 C ATOM 439 OH TYR A 306 -8.577 -0.352 11.169 1.00 0.00 O ATOM 0 H TYR A 306 -3.454 -0.932 8.290 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.451 1.533 7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.713 2.261 7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.621 0.623 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.798 2.759 9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.667 -1.245 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.584 2.093 10.925 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.407 -1.941 9.409 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.772 -1.305 11.053 1.00 0.00 H new ATOM 449 N ASN A 307 -2.212 1.331 10.272 1.00 0.00 N ATOM 450 CA ASN A 307 -1.960 1.958 11.552 1.00 0.00 C ATOM 451 C ASN A 307 -0.457 2.060 11.853 1.00 0.00 C ATOM 452 O ASN A 307 -0.080 2.605 12.889 1.00 0.00 O ATOM 453 CB ASN A 307 -2.727 1.130 12.579 1.00 0.00 C ATOM 454 CG ASN A 307 -2.395 1.509 14.007 1.00 0.00 C ATOM 455 OD1 ASN A 307 -2.818 2.547 14.509 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.626 0.651 14.663 1.00 0.00 N ATOM 0 H ASN A 307 -1.851 0.379 10.206 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.303 2.992 11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.797 1.256 12.414 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.503 0.074 12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -1.360 0.840 15.630 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -1.300 -0.198 14.201 1.00 0.00 H new ATOM 463 N PHE A 308 0.412 1.548 10.968 1.00 0.00 N ATOM 464 CA PHE A 308 1.856 1.719 11.126 1.00 0.00 C ATOM 465 C PHE A 308 2.453 2.535 9.980 1.00 0.00 C ATOM 466 O PHE A 308 3.569 3.035 10.102 1.00 0.00 O ATOM 467 CB PHE A 308 2.558 0.359 11.231 1.00 0.00 C ATOM 468 CG PHE A 308 3.392 -0.004 10.014 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.773 -0.271 8.784 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.789 -0.072 10.114 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.545 -0.581 7.657 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.563 -0.396 8.989 1.00 0.00 C ATOM 473 CZ PHE A 308 4.941 -0.641 7.758 1.00 0.00 C ATOM 0 H PHE A 308 0.138 1.016 10.142 1.00 0.00 H new ATOM 0 HA PHE A 308 2.019 2.270 12.052 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.201 0.361 12.111 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.806 -0.415 11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.696 -0.237 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.271 0.126 11.060 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.064 -0.774 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.638 -0.456 9.072 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.537 -0.876 6.888 1.00 0.00 H new ATOM 483 N PHE A 309 1.720 2.673 8.870 1.00 0.00 N ATOM 484 CA PHE A 309 2.205 3.396 7.704 1.00 0.00 C ATOM 485 C PHE A 309 2.520 4.850 8.041 1.00 0.00 C ATOM 486 O PHE A 309 3.614 5.325 7.745 1.00 0.00 O ATOM 487 CB PHE A 309 1.142 3.336 6.604 1.00 0.00 C ATOM 488 CG PHE A 309 1.528 2.456 5.436 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.490 2.915 4.531 1.00 0.00 C ATOM 490 CD2 PHE A 309 0.934 1.198 5.250 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.845 2.135 3.424 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.297 0.412 4.146 1.00 0.00 C ATOM 493 CZ PHE A 309 2.244 0.886 3.229 1.00 0.00 C ATOM 0 H PHE A 309 0.782 2.288 8.761 1.00 0.00 H new ATOM 0 HA PHE A 309 3.128 2.927 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.209 2.969 7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.951 4.345 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.961 3.874 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.200 0.836 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.581 2.496 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.846 -0.559 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.511 0.287 2.371 1.00 0.00 H new ATOM 503 N SER A 310 1.559 5.546 8.657 1.00 0.00 N ATOM 504 CA SER A 310 1.635 6.966 8.979 1.00 0.00 C ATOM 505 C SER A 310 0.284 7.409 9.550 1.00 0.00 C ATOM 506 O SER A 310 -0.631 6.591 9.632 1.00 0.00 O ATOM 507 CB SER A 310 1.980 7.758 7.710 1.00 0.00 C ATOM 508 OG SER A 310 3.336 8.149 7.738 1.00 0.00 O ATOM 0 H SER A 310 0.681 5.119 8.953 1.00 0.00 H new ATOM 0 HA SER A 310 2.413 7.151 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 310 1.787 7.148 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 310 1.341 8.638 7.636 1.00 0.00 H new ATOM 0 HG SER A 310 3.606 8.457 6.848 1.00 0.00 H new ATOM 514 N PRO A 311 0.143 8.685 9.944 1.00 0.00 N ATOM 515 CA PRO A 311 -1.099 9.306 10.406 1.00 0.00 C ATOM 516 C PRO A 311 -2.239 9.281 9.375 1.00 0.00 C ATOM 517 O PRO A 311 -3.197 10.043 9.496 1.00 0.00 O ATOM 518 CB PRO A 311 -0.729 10.752 10.749 1.00 0.00 C ATOM 519 CG PRO A 311 0.777 10.705 10.982 1.00 0.00 C ATOM 520 CD PRO A 311 1.224 9.650 9.978 1.00 0.00 C ATOM 0 HA PRO A 311 -1.488 8.745 11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -0.986 11.432 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.259 11.099 11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 311 1.248 11.670 10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 311 1.022 10.423 12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 311 1.394 10.088 8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 311 2.160 9.184 10.285 1.00 0.00 H new ATOM 528 N LEU A 312 -2.132 8.409 8.369 1.00 0.00 N ATOM 529 CA LEU A 312 -3.068 8.256 7.263 1.00 0.00 C ATOM 530 C LEU A 312 -4.443 7.746 7.712 1.00 0.00 C ATOM 531 O LEU A 312 -4.843 7.912 8.863 1.00 0.00 O ATOM 532 CB LEU A 312 -2.459 7.304 6.232 1.00 0.00 C ATOM 533 CG LEU A 312 -1.045 7.725 5.832 1.00 0.00 C ATOM 534 CD1 LEU A 312 -0.543 6.785 4.760 1.00 0.00 C ATOM 535 CD2 LEU A 312 -0.978 9.103 5.195 1.00 0.00 C ATOM 0 H LEU A 312 -1.348 7.759 8.305 1.00 0.00 H new ATOM 0 HA LEU A 312 -3.235 9.240 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.435 6.294 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.093 7.275 5.346 1.00 0.00 H new ATOM 0 HG LEU A 312 -0.462 7.715 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 312 0.466 7.075 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -0.530 5.766 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.203 6.836 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 312 0.055 9.335 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.589 9.117 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.352 9.847 5.898 1.00 0.00 H new ATOM 547 N ASN A 313 -5.168 7.118 6.781 1.00 0.00 N ATOM 548 CA ASN A 313 -6.566 6.769 6.934 1.00 0.00 C ATOM 549 C ASN A 313 -6.795 5.297 6.582 1.00 0.00 C ATOM 550 O ASN A 313 -5.975 4.694 5.894 1.00 0.00 O ATOM 551 CB ASN A 313 -7.326 7.684 5.974 1.00 0.00 C ATOM 552 CG ASN A 313 -6.937 9.137 6.167 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.265 9.751 7.179 1.00 0.00 O ATOM 554 ND2 ASN A 313 -6.233 9.694 5.190 1.00 0.00 N ATOM 0 H ASN A 313 -4.780 6.835 5.881 1.00 0.00 H new ATOM 0 HA ASN A 313 -6.905 6.899 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.122 7.385 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.398 7.569 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -5.943 10.669 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -5.982 9.147 4.366 1.00 0.00 H new ATOM 561 N PRO A 314 -7.904 4.708 7.047 1.00 0.00 N ATOM 562 CA PRO A 314 -8.234 3.300 6.874 1.00 0.00 C ATOM 563 C PRO A 314 -8.911 3.021 5.529 1.00 0.00 C ATOM 564 O PRO A 314 -9.341 1.899 5.271 1.00 0.00 O ATOM 565 CB PRO A 314 -9.193 3.029 8.025 1.00 0.00 C ATOM 566 CG PRO A 314 -10.002 4.321 8.096 1.00 0.00 C ATOM 567 CD PRO A 314 -8.940 5.382 7.810 1.00 0.00 C ATOM 0 HA PRO A 314 -7.348 2.665 6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.827 2.164 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.663 2.831 8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.805 4.340 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.463 4.460 9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.361 6.215 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.539 5.793 8.736 1.00 0.00 H new ATOM 575 N VAL A 315 -8.996 4.050 4.684 1.00 0.00 N ATOM 576 CA VAL A 315 -9.638 4.032 3.368 1.00 0.00 C ATOM 577 C VAL A 315 -9.037 3.028 2.378 1.00 0.00 C ATOM 578 O VAL A 315 -9.396 3.076 1.202 1.00 0.00 O ATOM 579 CB VAL A 315 -9.525 5.425 2.722 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.120 6.536 3.584 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.061 5.782 2.451 1.00 0.00 C ATOM 0 H VAL A 315 -8.600 4.963 4.909 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.669 3.733 3.558 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.092 5.361 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.009 7.492 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.178 6.337 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.599 6.573 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.006 6.770 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.507 5.785 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.626 5.046 1.775 1.00 0.00 H new ATOM 591 N ARG A 316 -8.141 2.128 2.799 1.00 0.00 N ATOM 592 CA ARG A 316 -7.231 1.532 1.829 1.00 0.00 C ATOM 593 C ARG A 316 -6.810 0.078 2.004 1.00 0.00 C ATOM 594 O ARG A 316 -6.329 -0.501 1.032 1.00 0.00 O ATOM 595 CB ARG A 316 -5.966 2.389 1.849 1.00 0.00 C ATOM 596 CG ARG A 316 -5.370 2.480 3.256 1.00 0.00 C ATOM 597 CD ARG A 316 -4.212 3.471 3.253 1.00 0.00 C ATOM 598 NE ARG A 316 -3.765 3.749 4.619 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.591 3.383 5.137 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.725 2.668 4.425 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.285 3.741 6.381 1.00 0.00 N ATOM 0 H ARG A 316 -8.031 1.810 3.762 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.795 1.514 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.228 1.966 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.198 3.390 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -6.133 2.798 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.022 1.499 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.384 3.069 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.522 4.398 2.771 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.403 4.265 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.955 2.392 3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.831 2.395 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -2.945 4.291 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.390 3.466 6.785 1.00 0.00 H new ATOM 615 N VAL A 317 -6.961 -0.538 3.177 1.00 0.00 N ATOM 616 CA VAL A 317 -6.397 -1.877 3.340 1.00 0.00 C ATOM 617 C VAL A 317 -7.112 -2.931 2.501 1.00 0.00 C ATOM 618 O VAL A 317 -8.322 -2.876 2.294 1.00 0.00 O ATOM 619 CB VAL A 317 -6.344 -2.331 4.794 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.965 -1.962 5.342 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.465 -1.746 5.652 1.00 0.00 C ATOM 0 H VAL A 317 -7.443 -0.156 3.990 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.374 -1.786 2.975 1.00 0.00 H new ATOM 0 HB VAL A 317 -6.500 -3.409 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.892 -2.274 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -4.195 -2.466 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.824 -0.883 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.368 -2.110 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.398 -0.658 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.430 -2.052 5.248 1.00 0.00 H new ATOM 631 N HIS A 318 -6.317 -3.894 2.027 1.00 0.00 N ATOM 632 CA HIS A 318 -6.757 -5.078 1.315 1.00 0.00 C ATOM 633 C HIS A 318 -5.660 -6.133 1.491 1.00 0.00 C ATOM 634 O HIS A 318 -4.532 -5.786 1.842 1.00 0.00 O ATOM 635 CB HIS A 318 -6.970 -4.721 -0.154 1.00 0.00 C ATOM 636 CG HIS A 318 -7.563 -5.841 -0.964 1.00 0.00 C ATOM 637 ND1 HIS A 318 -8.903 -6.101 -1.145 1.00 0.00 N ATOM 638 CD2 HIS A 318 -6.869 -6.792 -1.661 1.00 0.00 C ATOM 639 CE1 HIS A 318 -9.006 -7.182 -1.939 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.791 -7.642 -2.283 1.00 0.00 N ATOM 0 H HIS A 318 -5.304 -3.860 2.139 1.00 0.00 H new ATOM 0 HA HIS A 318 -7.701 -5.466 1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.624 -3.852 -0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.014 -4.433 -0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.794 -6.873 -1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.940 -7.621 -2.257 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -7.583 -8.446 -2.876 1.00 0.00 H new ATOM 648 N ILE A 319 -5.967 -7.411 1.254 1.00 0.00 N ATOM 649 CA ILE A 319 -5.037 -8.498 1.544 1.00 0.00 C ATOM 650 C ILE A 319 -4.971 -9.473 0.372 1.00 0.00 C ATOM 651 O ILE A 319 -5.932 -9.620 -0.383 1.00 0.00 O ATOM 652 CB ILE A 319 -5.489 -9.201 2.835 1.00 0.00 C ATOM 653 CG1 ILE A 319 -5.441 -8.250 4.041 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.650 -10.443 3.143 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.038 -7.755 4.394 1.00 0.00 C ATOM 0 H ILE A 319 -6.857 -7.716 0.860 1.00 0.00 H new ATOM 0 HA ILE A 319 -4.032 -8.100 1.688 1.00 0.00 H new ATOM 0 HB ILE A 319 -6.519 -9.513 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -6.077 -7.389 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.863 -8.759 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -5.007 -10.904 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.739 -11.155 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.605 -10.156 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.093 -7.090 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -3.401 -8.607 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -3.618 -7.215 3.545 1.00 0.00 H new ATOM 667 N GLU A 320 -3.824 -10.139 0.228 1.00 0.00 N ATOM 668 CA GLU A 320 -3.565 -11.065 -0.864 1.00 0.00 C ATOM 669 C GLU A 320 -2.706 -12.238 -0.378 1.00 0.00 C ATOM 670 O GLU A 320 -2.080 -12.169 0.680 1.00 0.00 O ATOM 671 CB GLU A 320 -2.887 -10.274 -1.988 1.00 0.00 C ATOM 672 CG GLU A 320 -2.609 -11.127 -3.224 1.00 0.00 C ATOM 673 CD GLU A 320 -2.196 -10.258 -4.411 1.00 0.00 C ATOM 674 OE1 GLU A 320 -1.174 -9.549 -4.285 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.908 -10.311 -5.439 1.00 0.00 O ATOM 0 H GLU A 320 -3.043 -10.046 0.877 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.491 -11.500 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.520 -9.432 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.949 -9.859 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.820 -11.846 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -3.499 -11.700 -3.482 1.00 0.00 H new ATOM 817 N ALA A 331 -0.148 -8.073 1.301 1.00 0.00 N ATOM 818 CA ALA A 331 -1.135 -7.016 1.388 1.00 0.00 C ATOM 819 C ALA A 331 -0.839 -5.903 0.393 1.00 0.00 C ATOM 820 O ALA A 331 0.216 -5.860 -0.239 1.00 0.00 O ATOM 821 CB ALA A 331 -1.111 -6.458 2.810 1.00 0.00 C ATOM 0 HA ALA A 331 -2.118 -7.421 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.847 -5.659 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -1.350 -7.253 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -0.119 -6.063 3.029 1.00 0.00 H new ATOM 827 N ASP A 332 -1.800 -4.992 0.270 1.00 0.00 N ATOM 828 CA ASP A 332 -1.638 -3.774 -0.497 1.00 0.00 C ATOM 829 C ASP A 332 -2.549 -2.703 0.086 1.00 0.00 C ATOM 830 O ASP A 332 -3.497 -3.010 0.807 1.00 0.00 O ATOM 831 CB ASP A 332 -1.960 -4.033 -1.969 1.00 0.00 C ATOM 832 CG ASP A 332 -3.404 -4.482 -2.173 1.00 0.00 C ATOM 833 OD1 ASP A 332 -3.649 -5.703 -2.059 1.00 0.00 O ATOM 834 OD2 ASP A 332 -4.248 -3.599 -2.443 1.00 0.00 O ATOM 0 H ASP A 332 -2.718 -5.085 0.705 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.605 -3.430 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.779 -3.125 -2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -1.286 -4.796 -2.358 1.00 0.00 H new ATOM 839 N VAL A 333 -2.256 -1.441 -0.229 1.00 0.00 N ATOM 840 CA VAL A 333 -3.036 -0.327 0.272 1.00 0.00 C ATOM 841 C VAL A 333 -3.205 0.727 -0.810 1.00 0.00 C ATOM 842 O VAL A 333 -2.254 1.081 -1.502 1.00 0.00 O ATOM 843 CB VAL A 333 -2.361 0.290 1.506 1.00 0.00 C ATOM 844 CG1 VAL A 333 -2.369 -0.675 2.689 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.911 0.698 1.238 1.00 0.00 C ATOM 0 H VAL A 333 -1.479 -1.172 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 333 -4.020 -0.698 0.560 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.944 1.180 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.883 -0.206 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.398 -0.925 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.831 -1.584 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.481 1.128 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.335 -0.179 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.883 1.436 0.436 1.00 0.00 H new ATOM 855 N GLU A 334 -4.431 1.231 -0.952 1.00 0.00 N ATOM 856 CA GLU A 334 -4.702 2.373 -1.804 1.00 0.00 C ATOM 857 C GLU A 334 -4.329 3.653 -1.055 1.00 0.00 C ATOM 858 O GLU A 334 -3.961 3.603 0.117 1.00 0.00 O ATOM 859 CB GLU A 334 -6.182 2.392 -2.193 1.00 0.00 C ATOM 860 CG GLU A 334 -6.535 1.164 -3.033 1.00 0.00 C ATOM 861 CD GLU A 334 -7.986 1.228 -3.504 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.858 0.729 -2.758 1.00 0.00 O ATOM 863 OE2 GLU A 334 -8.212 1.774 -4.606 1.00 0.00 O ATOM 0 H GLU A 334 -5.254 0.857 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.108 2.304 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.799 2.414 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.404 3.299 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -5.870 1.104 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.378 0.259 -2.446 1.00 0.00 H new ATOM 870 N PHE A 335 -4.421 4.805 -1.719 1.00 0.00 N ATOM 871 CA PHE A 335 -4.179 6.088 -1.081 1.00 0.00 C ATOM 872 C PHE A 335 -4.973 7.181 -1.779 1.00 0.00 C ATOM 873 O PHE A 335 -5.135 7.175 -3.003 1.00 0.00 O ATOM 874 CB PHE A 335 -2.686 6.420 -1.109 1.00 0.00 C ATOM 875 CG PHE A 335 -1.913 5.656 -0.061 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.287 5.763 1.286 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.835 4.840 -0.425 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.604 5.029 2.262 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.141 4.121 0.559 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.531 4.208 1.900 1.00 0.00 C ATOM 0 H PHE A 335 -4.664 4.870 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.505 6.028 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.283 6.190 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.550 7.490 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -3.102 6.412 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.539 4.764 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.906 5.097 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.697 3.499 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 335 -0.004 3.642 2.654 1.00 0.00 H new ATOM 890 N ALA A 336 -5.463 8.122 -0.970 1.00 0.00 N ATOM 891 CA ALA A 336 -6.126 9.309 -1.460 1.00 0.00 C ATOM 892 C ALA A 336 -5.046 10.234 -2.020 1.00 0.00 C ATOM 893 O ALA A 336 -4.409 10.983 -1.280 1.00 0.00 O ATOM 894 CB ALA A 336 -6.935 9.943 -0.325 1.00 0.00 C ATOM 0 H ALA A 336 -5.405 8.072 0.047 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.837 9.088 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.436 10.839 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.679 9.232 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.266 10.211 0.493 1.00 0.00 H new ATOM 900 N THR A 337 -4.862 10.159 -3.344 1.00 0.00 N ATOM 901 CA THR A 337 -3.911 10.938 -4.130 1.00 0.00 C ATOM 902 C THR A 337 -2.479 10.501 -3.856 1.00 0.00 C ATOM 903 O THR A 337 -2.198 9.812 -2.876 1.00 0.00 O ATOM 904 CB THR A 337 -4.072 12.454 -3.961 1.00 0.00 C ATOM 905 OG1 THR A 337 -3.597 12.892 -2.711 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.526 12.889 -4.140 1.00 0.00 C ATOM 0 H THR A 337 -5.404 9.517 -3.922 1.00 0.00 H new ATOM 0 HA THR A 337 -4.143 10.727 -5.174 1.00 0.00 H new ATOM 0 HB THR A 337 -3.470 12.918 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.531 12.128 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.601 13.969 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 337 -5.867 12.616 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.149 12.392 -3.396 1.00 0.00 H new ATOM 914 N HIS A 338 -1.564 10.908 -4.736 1.00 0.00 N ATOM 915 CA HIS A 338 -0.159 10.583 -4.579 1.00 0.00 C ATOM 916 C HIS A 338 0.413 11.259 -3.331 1.00 0.00 C ATOM 917 O HIS A 338 1.497 10.904 -2.879 1.00 0.00 O ATOM 918 CB HIS A 338 0.595 11.008 -5.840 1.00 0.00 C ATOM 919 CG HIS A 338 2.038 10.587 -5.831 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.517 9.297 -5.870 1.00 0.00 N ATOM 921 CD2 HIS A 338 3.118 11.424 -5.785 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.860 9.361 -5.855 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.277 10.640 -5.812 1.00 0.00 N ATOM 0 H HIS A 338 -1.778 11.464 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.043 9.507 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 338 0.103 10.579 -6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.539 12.092 -5.942 1.00 0.00 H new ATOM 0 HD2 HIS A 338 3.083 12.502 -5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.515 8.503 -5.875 1.00 0.00 H new ATOM 0 HE2 HIS A 338 5.242 10.971 -5.801 1.00 0.00 H new ATOM 931 N GLU A 339 -0.306 12.234 -2.767 1.00 0.00 N ATOM 932 CA GLU A 339 0.139 12.935 -1.574 1.00 0.00 C ATOM 933 C GLU A 339 0.068 12.028 -0.351 1.00 0.00 C ATOM 934 O GLU A 339 0.986 12.030 0.465 1.00 0.00 O ATOM 935 CB GLU A 339 -0.721 14.178 -1.372 1.00 0.00 C ATOM 936 CG GLU A 339 -0.432 15.153 -2.511 1.00 0.00 C ATOM 937 CD GLU A 339 -1.294 16.410 -2.403 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.073 17.182 -1.442 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.167 16.591 -3.280 1.00 0.00 O ATOM 0 H GLU A 339 -1.206 12.553 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 339 1.180 13.233 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -1.778 13.911 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -0.499 14.641 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.622 15.431 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.619 14.663 -3.467 1.00 0.00 H new ATOM 946 N GLU A 340 -1.009 11.247 -0.209 1.00 0.00 N ATOM 947 CA GLU A 340 -1.038 10.244 0.850 1.00 0.00 C ATOM 948 C GLU A 340 -0.144 9.063 0.485 1.00 0.00 C ATOM 949 O GLU A 340 0.247 8.301 1.368 1.00 0.00 O ATOM 950 CB GLU A 340 -2.465 9.785 1.147 1.00 0.00 C ATOM 951 CG GLU A 340 -3.213 10.913 1.864 1.00 0.00 C ATOM 952 CD GLU A 340 -4.576 10.472 2.398 1.00 0.00 C ATOM 953 OE1 GLU A 340 -4.793 9.247 2.536 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.399 11.375 2.665 1.00 0.00 O ATOM 0 H GLU A 340 -1.843 11.289 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 340 -0.651 10.701 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -2.977 9.523 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.451 8.889 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.604 11.278 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.350 11.747 1.176 1.00 0.00 H new ATOM 961 N ALA A 341 0.190 8.894 -0.800 1.00 0.00 N ATOM 962 CA ALA A 341 1.087 7.820 -1.198 1.00 0.00 C ATOM 963 C ALA A 341 2.534 8.128 -0.796 1.00 0.00 C ATOM 964 O ALA A 341 3.260 7.224 -0.384 1.00 0.00 O ATOM 965 CB ALA A 341 0.986 7.591 -2.705 1.00 0.00 C ATOM 0 H ALA A 341 -0.144 9.480 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 341 0.786 6.910 -0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.660 6.786 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.037 7.319 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.263 8.504 -3.231 1.00 0.00 H new ATOM 971 N VAL A 342 2.971 9.390 -0.905 1.00 0.00 N ATOM 972 CA VAL A 342 4.317 9.762 -0.476 1.00 0.00 C ATOM 973 C VAL A 342 4.364 9.982 1.032 1.00 0.00 C ATOM 974 O VAL A 342 5.426 9.841 1.634 1.00 0.00 O ATOM 975 CB VAL A 342 4.816 11.019 -1.196 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.858 10.777 -2.703 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.941 12.235 -0.898 1.00 0.00 C ATOM 0 H VAL A 342 2.417 10.159 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 342 4.976 8.934 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 342 5.819 11.230 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.214 11.676 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.533 9.949 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.858 10.533 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.332 13.103 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.920 12.038 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.946 12.433 0.174 1.00 0.00 H new ATOM 987 N ALA A 343 3.229 10.322 1.650 1.00 0.00 N ATOM 988 CA ALA A 343 3.160 10.431 3.097 1.00 0.00 C ATOM 989 C ALA A 343 3.224 9.036 3.717 1.00 0.00 C ATOM 990 O ALA A 343 3.539 8.889 4.898 1.00 0.00 O ATOM 991 CB ALA A 343 1.869 11.143 3.495 1.00 0.00 C ATOM 0 H ALA A 343 2.353 10.524 1.167 1.00 0.00 H new ATOM 0 HA ALA A 343 4.004 11.014 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.818 11.224 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.853 12.140 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 343 1.013 10.573 3.133 1.00 0.00 H new ATOM 997 N ALA A 344 2.924 8.011 2.912 1.00 0.00 N ATOM 998 CA ALA A 344 3.051 6.624 3.313 1.00 0.00 C ATOM 999 C ALA A 344 4.465 6.109 3.029 1.00 0.00 C ATOM 1000 O ALA A 344 4.920 5.153 3.654 1.00 0.00 O ATOM 1001 CB ALA A 344 2.050 5.800 2.505 1.00 0.00 C ATOM 0 H ALA A 344 2.584 8.132 1.958 1.00 0.00 H new ATOM 0 HA ALA A 344 2.856 6.536 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.128 4.751 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 344 1.040 6.157 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 344 2.267 5.904 1.442 1.00 0.00 H new ATOM 1007 N MET A 345 5.160 6.748 2.080 1.00 0.00 N ATOM 1008 CA MET A 345 6.509 6.389 1.669 1.00 0.00 C ATOM 1009 C MET A 345 7.541 6.920 2.669 1.00 0.00 C ATOM 1010 O MET A 345 8.463 7.647 2.300 1.00 0.00 O ATOM 1011 CB MET A 345 6.757 6.923 0.253 1.00 0.00 C ATOM 1012 CG MET A 345 7.991 6.293 -0.398 1.00 0.00 C ATOM 1013 SD MET A 345 7.681 4.805 -1.393 1.00 0.00 S ATOM 1014 CE MET A 345 6.955 3.695 -0.162 1.00 0.00 C ATOM 0 H MET A 345 4.785 7.547 1.569 1.00 0.00 H new ATOM 0 HA MET A 345 6.615 5.304 1.655 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.882 6.725 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.882 8.005 0.292 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.466 7.041 -1.033 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.705 6.041 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.878 2.691 -0.578 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.588 3.672 0.725 1.00 0.00 H new ATOM 0 HE3 MET A 345 5.962 4.053 0.110 1.00 0.00 H new ATOM 1024 N SER A 346 7.376 6.551 3.942 1.00 0.00 N ATOM 1025 CA SER A 346 8.247 6.986 5.027 1.00 0.00 C ATOM 1026 C SER A 346 8.587 5.809 5.940 1.00 0.00 C ATOM 1027 O SER A 346 9.003 6.010 7.080 1.00 0.00 O ATOM 1028 CB SER A 346 7.565 8.104 5.819 1.00 0.00 C ATOM 1029 OG SER A 346 7.280 9.200 4.974 1.00 0.00 O ATOM 0 H SER A 346 6.623 5.934 4.248 1.00 0.00 H new ATOM 0 HA SER A 346 9.177 7.369 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.643 7.732 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 346 8.210 8.425 6.637 1.00 0.00 H new ATOM 0 HG SER A 346 6.843 9.907 5.492 1.00 0.00 H new ATOM 1035 N LYS A 347 8.407 4.582 5.436 1.00 0.00 N ATOM 1036 CA LYS A 347 8.619 3.354 6.199 1.00 0.00 C ATOM 1037 C LYS A 347 9.311 2.301 5.336 1.00 0.00 C ATOM 1038 O LYS A 347 9.328 1.123 5.684 1.00 0.00 O ATOM 1039 CB LYS A 347 7.265 2.835 6.705 1.00 0.00 C ATOM 1040 CG LYS A 347 6.584 3.820 7.662 1.00 0.00 C ATOM 1041 CD LYS A 347 7.335 3.920 8.992 1.00 0.00 C ATOM 1042 CE LYS A 347 6.854 5.126 9.799 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.391 5.121 9.984 1.00 0.00 N ATOM 0 H LYS A 347 8.107 4.416 4.475 1.00 0.00 H new ATOM 0 HA LYS A 347 9.264 3.564 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.610 2.647 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.411 1.881 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.533 4.804 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.558 3.500 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.185 3.008 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.405 4.006 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 347 7.342 5.128 10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.152 6.044 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.135 5.782 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 4.928 5.415 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 5.076 4.163 10.238 1.00 0.00 H new ATOM 1057 N ASP A 348 9.883 2.730 4.210 1.00 0.00 N ATOM 1058 CA ASP A 348 10.528 1.883 3.220 1.00 0.00 C ATOM 1059 C ASP A 348 12.051 1.975 3.359 1.00 0.00 C ATOM 1060 O ASP A 348 12.680 2.805 2.706 1.00 0.00 O ATOM 1061 CB ASP A 348 10.049 2.318 1.827 1.00 0.00 C ATOM 1062 CG ASP A 348 10.295 3.802 1.545 1.00 0.00 C ATOM 1063 OD1 ASP A 348 9.765 4.634 2.315 1.00 0.00 O ATOM 1064 OD2 ASP A 348 11.010 4.093 0.560 1.00 0.00 O ATOM 0 H ASP A 348 9.908 3.718 3.958 1.00 0.00 H new ATOM 0 HA ASP A 348 10.259 0.838 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 348 10.559 1.721 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 348 8.983 2.108 1.734 1.00 0.00 H new ATOM 1069 N ARG A 349 12.687 1.143 4.196 1.00 0.00 N ATOM 1070 CA ARG A 349 12.118 0.040 4.968 1.00 0.00 C ATOM 1071 C ARG A 349 12.195 0.368 6.458 1.00 0.00 C ATOM 1072 O ARG A 349 13.030 1.169 6.879 1.00 0.00 O ATOM 1073 CB ARG A 349 12.846 -1.258 4.612 1.00 0.00 C ATOM 1074 CG ARG A 349 14.364 -1.090 4.628 1.00 0.00 C ATOM 1075 CD ARG A 349 14.956 -2.316 3.948 1.00 0.00 C ATOM 1076 NE ARG A 349 16.384 -2.133 3.665 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.856 -1.428 2.630 1.00 0.00 C ATOM 1078 NH1 ARG A 349 16.026 -0.830 1.777 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.168 -1.317 2.441 1.00 0.00 N ATOM 0 H ARG A 349 13.690 1.235 4.360 1.00 0.00 H new ATOM 0 HA ARG A 349 11.065 -0.099 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 349 12.561 -2.038 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.529 -1.591 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.657 -0.180 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.731 -1.001 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.819 -3.189 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.421 -2.512 3.019 1.00 0.00 H new ATOM 0 HE ARG A 349 17.057 -2.569 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 349 15.017 -0.906 1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.399 -0.296 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.816 -1.770 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.526 -0.779 1.652 1.00 0.00 H new ATOM 1093 N ALA A 350 11.320 -0.254 7.252 1.00 0.00 N ATOM 1094 CA ALA A 350 11.142 0.087 8.657 1.00 0.00 C ATOM 1095 C ALA A 350 10.601 -1.099 9.461 1.00 0.00 C ATOM 1096 O ALA A 350 10.701 -2.246 9.031 1.00 0.00 O ATOM 1097 CB ALA A 350 10.179 1.273 8.743 1.00 0.00 C ATOM 0 H ALA A 350 10.715 -1.011 6.933 1.00 0.00 H new ATOM 0 HA ALA A 350 12.108 0.349 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.031 1.546 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.598 2.122 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.222 0.997 8.301 1.00 0.00 H new ATOM 1103 N ASN A 351 10.027 -0.804 10.632 1.00 0.00 N ATOM 1104 CA ASN A 351 9.535 -1.787 11.587 1.00 0.00 C ATOM 1105 C ASN A 351 8.090 -1.451 11.971 1.00 0.00 C ATOM 1106 O ASN A 351 7.618 -0.346 11.714 1.00 0.00 O ATOM 1107 CB ASN A 351 10.478 -1.753 12.799 1.00 0.00 C ATOM 1108 CG ASN A 351 10.072 -2.675 13.943 1.00 0.00 C ATOM 1109 OD1 ASN A 351 9.408 -3.687 13.750 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.474 -2.324 15.161 1.00 0.00 N ATOM 0 H ASN A 351 9.891 0.157 10.946 1.00 0.00 H new ATOM 0 HA ASN A 351 9.525 -2.792 11.166 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.481 -2.023 12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.530 -0.731 13.174 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.231 -2.903 15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.026 -1.476 15.291 1.00 0.00 H new ATOM 1117 N MET A 352 7.393 -2.410 12.587 1.00 0.00 N ATOM 1118 CA MET A 352 6.000 -2.276 12.996 1.00 0.00 C ATOM 1119 C MET A 352 5.836 -2.663 14.466 1.00 0.00 C ATOM 1120 O MET A 352 4.948 -2.144 15.140 1.00 0.00 O ATOM 1121 CB MET A 352 5.145 -3.175 12.100 1.00 0.00 C ATOM 1122 CG MET A 352 3.692 -3.205 12.573 1.00 0.00 C ATOM 1123 SD MET A 352 2.607 -4.247 11.562 1.00 0.00 S ATOM 1124 CE MET A 352 2.514 -3.224 10.074 1.00 0.00 C ATOM 0 H MET A 352 7.794 -3.319 12.818 1.00 0.00 H new ATOM 0 HA MET A 352 5.678 -1.240 12.890 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.188 -2.815 11.072 1.00 0.00 H new ATOM 0 HB3 MET A 352 5.552 -4.186 12.101 1.00 0.00 H new ATOM 0 HG2 MET A 352 3.664 -3.561 13.603 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.301 -2.188 12.576 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.033 -3.787 9.275 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.934 -2.326 10.286 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.520 -2.941 9.764 1.00 0.00 H new ATOM 1134 N GLN A 353 6.682 -3.567 14.969 1.00 0.00 N ATOM 1135 CA GLN A 353 6.648 -3.957 16.372 1.00 0.00 C ATOM 1136 C GLN A 353 7.933 -4.649 16.816 1.00 0.00 C ATOM 1137 O GLN A 353 8.344 -4.479 17.964 1.00 0.00 O ATOM 1138 CB GLN A 353 5.464 -4.880 16.642 1.00 0.00 C ATOM 1139 CG GLN A 353 5.397 -6.087 15.707 1.00 0.00 C ATOM 1140 CD GLN A 353 4.061 -6.786 15.899 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.999 -7.969 16.221 1.00 0.00 O ATOM 1142 NE2 GLN A 353 2.979 -6.040 15.697 1.00 0.00 N ATOM 0 H GLN A 353 7.399 -4.041 14.419 1.00 0.00 H new ATOM 0 HA GLN A 353 6.544 -3.037 16.948 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.518 -5.233 17.672 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.541 -4.308 16.549 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.510 -5.768 14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.216 -6.774 15.920 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.077 -5.060 15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.051 -6.447 15.809 1.00 0.00 H new ATOM 1151 N HIS A 354 8.573 -5.422 15.934 1.00 0.00 N ATOM 1152 CA HIS A 354 9.754 -6.175 16.335 1.00 0.00 C ATOM 1153 C HIS A 354 10.603 -6.678 15.161 1.00 0.00 C ATOM 1154 O HIS A 354 11.605 -7.354 15.393 1.00 0.00 O ATOM 1155 CB HIS A 354 9.296 -7.347 17.210 1.00 0.00 C ATOM 1156 CG HIS A 354 8.916 -8.590 16.445 1.00 0.00 C ATOM 1157 ND1 HIS A 354 8.168 -8.660 15.300 1.00 0.00 N flip ATOM 1158 CD2 HIS A 354 9.265 -9.879 16.779 1.00 0.00 C flip ATOM 1159 CE1 HIS A 354 8.057 -10.005 14.930 1.00 0.00 C flip ATOM 1160 NE2 HIS A 354 8.737 -10.700 15.856 1.00 0.00 N flip ATOM 0 H HIS A 354 8.297 -5.539 14.959 1.00 0.00 H new ATOM 0 HA HIS A 354 10.407 -5.499 16.887 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.095 -7.596 17.908 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.441 -7.027 17.805 1.00 0.00 H new ATOM 0 HD2 HIS A 354 9.858 -10.177 17.631 1.00 0.00 H new ATOM 0 HE1 HIS A 354 7.532 -10.403 14.074 1.00 0.00 H new ATOM 0 HE2 HIS A 354 8.839 -11.715 15.858 1.00 0.00 H new ATOM 1168 N ARG A 355 10.232 -6.371 13.911 1.00 0.00 N ATOM 1169 CA ARG A 355 10.955 -6.881 12.754 1.00 0.00 C ATOM 1170 C ARG A 355 10.765 -5.985 11.531 1.00 0.00 C ATOM 1171 O ARG A 355 9.810 -5.218 11.446 1.00 0.00 O ATOM 1172 CB ARG A 355 10.452 -8.294 12.436 1.00 0.00 C ATOM 1173 CG ARG A 355 11.554 -9.145 11.804 1.00 0.00 C ATOM 1174 CD ARG A 355 11.023 -10.552 11.532 1.00 0.00 C ATOM 1175 NE ARG A 355 12.055 -11.394 10.914 1.00 0.00 N ATOM 1176 CZ ARG A 355 12.756 -12.338 11.553 1.00 0.00 C ATOM 1177 NH1 ARG A 355 12.563 -12.574 12.848 1.00 0.00 N ATOM 1178 NH2 ARG A 355 13.662 -13.055 10.890 1.00 0.00 N ATOM 0 H ARG A 355 9.437 -5.774 13.683 1.00 0.00 H new ATOM 0 HA ARG A 355 12.018 -6.898 12.993 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.100 -8.772 13.350 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.600 -8.236 11.758 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.893 -8.687 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 355 12.417 -9.193 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 355 10.690 -11.005 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 355 10.154 -10.496 10.877 1.00 0.00 H new ATOM 0 HE ARG A 355 12.252 -11.249 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 355 11.873 -12.032 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 355 13.105 -13.297 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 355 13.820 -12.884 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 355 14.197 -13.775 11.375 1.00 0.00 H new ATOM 1192 N TYR A 356 11.701 -6.100 10.588 1.00 0.00 N ATOM 1193 CA TYR A 356 11.701 -5.424 9.298 1.00 0.00 C ATOM 1194 C TYR A 356 10.392 -5.718 8.553 1.00 0.00 C ATOM 1195 O TYR A 356 9.881 -6.833 8.623 1.00 0.00 O ATOM 1196 CB TYR A 356 12.962 -5.945 8.592 1.00 0.00 C ATOM 1197 CG TYR A 356 13.098 -5.809 7.092 1.00 0.00 C ATOM 1198 CD1 TYR A 356 12.516 -4.751 6.374 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.842 -6.788 6.414 1.00 0.00 C ATOM 1200 CE1 TYR A 356 12.643 -4.704 4.979 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.998 -6.726 5.025 1.00 0.00 C ATOM 1202 CZ TYR A 356 13.393 -5.685 4.301 1.00 0.00 C ATOM 1203 OH TYR A 356 13.532 -5.628 2.949 1.00 0.00 O ATOM 0 H TYR A 356 12.518 -6.697 10.713 1.00 0.00 H new ATOM 0 HA TYR A 356 11.736 -4.336 9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.817 -5.441 9.042 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.054 -7.004 8.831 1.00 0.00 H new ATOM 0 HD1 TYR A 356 11.973 -3.977 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.297 -7.595 6.969 1.00 0.00 H new ATOM 0 HE1 TYR A 356 12.164 -3.913 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.581 -7.476 4.511 1.00 0.00 H new ATOM 0 HH TYR A 356 14.081 -6.381 2.645 1.00 0.00 H new ATOM 1213 N ILE A 357 9.846 -4.724 7.839 1.00 0.00 N ATOM 1214 CA ILE A 357 8.590 -4.844 7.100 1.00 0.00 C ATOM 1215 C ILE A 357 8.790 -4.354 5.663 1.00 0.00 C ATOM 1216 O ILE A 357 9.774 -3.678 5.371 1.00 0.00 O ATOM 1217 CB ILE A 357 7.497 -4.006 7.787 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.433 -4.218 9.306 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.127 -4.337 7.188 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.961 -5.615 9.713 1.00 0.00 C ATOM 0 H ILE A 357 10.274 -3.802 7.760 1.00 0.00 H new ATOM 0 HA ILE A 357 8.281 -5.889 7.085 1.00 0.00 H new ATOM 0 HB ILE A 357 7.759 -2.963 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.421 -4.040 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.762 -3.477 9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.360 -3.739 7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.132 -4.113 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.912 -5.395 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.941 -5.690 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.960 -5.790 9.319 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.645 -6.362 9.310 1.00 0.00 H new ATOM 1232 N GLU A 358 7.862 -4.684 4.757 1.00 0.00 N ATOM 1233 CA GLU A 358 7.953 -4.259 3.368 1.00 0.00 C ATOM 1234 C GLU A 358 6.781 -3.377 2.973 1.00 0.00 C ATOM 1235 O GLU A 358 5.653 -3.607 3.397 1.00 0.00 O ATOM 1236 CB GLU A 358 7.857 -5.444 2.410 1.00 0.00 C ATOM 1237 CG GLU A 358 9.006 -6.439 2.434 1.00 0.00 C ATOM 1238 CD GLU A 358 9.009 -7.164 1.085 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.262 -8.158 0.956 1.00 0.00 O ATOM 1240 OE2 GLU A 358 9.759 -6.718 0.188 1.00 0.00 O ATOM 0 H GLU A 358 7.038 -5.247 4.969 1.00 0.00 H new ATOM 0 HA GLU A 358 8.909 -3.740 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 358 6.936 -5.984 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.766 -5.055 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.954 -5.927 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.882 -7.149 3.252 1.00 0.00 H new ATOM 1247 N LEU A 359 7.069 -2.368 2.151 1.00 0.00 N ATOM 1248 CA LEU A 359 6.081 -1.643 1.377 1.00 0.00 C ATOM 1249 C LEU A 359 6.831 -0.949 0.246 1.00 0.00 C ATOM 1250 O LEU A 359 7.999 -0.597 0.405 1.00 0.00 O ATOM 1251 CB LEU A 359 5.217 -0.712 2.245 1.00 0.00 C ATOM 1252 CG LEU A 359 5.857 0.511 2.912 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.155 0.200 3.641 1.00 0.00 C ATOM 1254 CD2 LEU A 359 6.118 1.632 1.911 1.00 0.00 C ATOM 0 H LEU A 359 8.020 -2.030 2.007 1.00 0.00 H new ATOM 0 HA LEU A 359 5.342 -2.319 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.398 -0.353 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.774 -1.320 3.034 1.00 0.00 H new ATOM 0 HG LEU A 359 5.124 0.834 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.549 1.113 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.966 -0.534 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.882 -0.202 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.572 2.480 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.793 1.275 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.176 1.943 1.459 1.00 0.00 H new ATOM 1266 N PHE A 360 6.178 -0.747 -0.898 1.00 0.00 N ATOM 1267 CA PHE A 360 6.873 -0.222 -2.064 1.00 0.00 C ATOM 1268 C PHE A 360 5.874 0.488 -2.977 1.00 0.00 C ATOM 1269 O PHE A 360 4.788 -0.033 -3.227 1.00 0.00 O ATOM 1270 CB PHE A 360 7.571 -1.397 -2.761 1.00 0.00 C ATOM 1271 CG PHE A 360 8.981 -1.107 -3.230 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.185 -0.261 -4.329 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.093 -1.678 -2.580 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.483 0.012 -4.779 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.381 -1.408 -3.032 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.583 -0.563 -4.134 1.00 0.00 C ATOM 0 H PHE A 360 5.186 -0.936 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 360 7.626 0.515 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.598 -2.244 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.972 -1.700 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.338 0.182 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.945 -2.327 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.635 0.667 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.230 -1.851 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.584 -0.357 -4.483 1.00 0.00 H new ATOM 1286 N LEU A 361 6.243 1.673 -3.474 1.00 0.00 N ATOM 1287 CA LEU A 361 5.340 2.546 -4.215 1.00 0.00 C ATOM 1288 C LEU A 361 4.734 1.844 -5.434 1.00 0.00 C ATOM 1289 O LEU A 361 5.413 1.079 -6.118 1.00 0.00 O ATOM 1290 CB LEU A 361 6.097 3.819 -4.619 1.00 0.00 C ATOM 1291 CG LEU A 361 5.341 5.102 -4.247 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.176 6.319 -4.639 1.00 0.00 C ATOM 1293 CD2 LEU A 361 3.994 5.198 -4.955 1.00 0.00 C ATOM 0 H LEU A 361 7.184 2.052 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 361 4.502 2.812 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.074 3.825 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.274 3.806 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 361 5.167 5.075 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.638 7.230 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.128 6.293 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.358 6.304 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.494 6.121 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.149 5.196 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.375 4.346 -4.676 1.00 0.00 H new ATOM 1305 N ASN A 362 3.450 2.110 -5.701 1.00 0.00 N ATOM 1306 CA ASN A 362 2.709 1.555 -6.817 1.00 0.00 C ATOM 1307 C ASN A 362 1.714 2.602 -7.336 1.00 0.00 C ATOM 1308 O ASN A 362 0.538 2.318 -7.566 1.00 0.00 O ATOM 1309 CB ASN A 362 2.025 0.276 -6.340 1.00 0.00 C ATOM 1310 CG ASN A 362 1.254 -0.398 -7.459 1.00 0.00 C ATOM 1311 OD1 ASN A 362 1.704 -0.455 -8.600 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.077 -0.913 -7.128 1.00 0.00 N ATOM 0 H ASN A 362 2.890 2.737 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 362 3.364 1.301 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.773 -0.412 -5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.346 0.510 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 362 -0.493 -1.379 -7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 362 -0.258 -0.843 -6.167 1.00 0.00 H new ATOM 1319 N SER A 363 2.200 3.834 -7.518 1.00 0.00 N ATOM 1320 CA SER A 363 1.430 4.915 -8.116 1.00 0.00 C ATOM 1321 C SER A 363 2.335 6.103 -8.432 1.00 0.00 C ATOM 1322 O SER A 363 3.535 6.072 -8.165 1.00 0.00 O ATOM 1323 CB SER A 363 0.320 5.365 -7.167 1.00 0.00 C ATOM 1324 OG SER A 363 0.866 5.837 -5.954 1.00 0.00 O ATOM 0 H SER A 363 3.146 4.105 -7.251 1.00 0.00 H new ATOM 0 HA SER A 363 0.987 4.545 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.271 6.151 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 363 -0.356 4.533 -6.969 1.00 0.00 H new ATOM 0 HG SER A 363 0.953 5.092 -5.323 1.00 0.00 H new ATOM 1330 N THR A 364 1.752 7.157 -9.003 1.00 0.00 N ATOM 1331 CA THR A 364 2.439 8.415 -9.245 1.00 0.00 C ATOM 1332 C THR A 364 1.406 9.537 -9.307 1.00 0.00 C ATOM 1333 O THR A 364 0.206 9.272 -9.337 1.00 0.00 O ATOM 1334 CB THR A 364 3.287 8.335 -10.518 1.00 0.00 C ATOM 1335 OG1 THR A 364 4.010 9.535 -10.687 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.406 8.113 -11.738 1.00 0.00 C ATOM 0 H THR A 364 0.780 7.156 -9.312 1.00 0.00 H new ATOM 0 HA THR A 364 3.129 8.626 -8.428 1.00 0.00 H new ATOM 0 HB THR A 364 3.975 7.496 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.552 9.478 -11.501 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.028 8.059 -12.631 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.854 7.180 -11.623 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.703 8.941 -11.835 1.00 0.00 H new ATOM 1344 N THR A 365 1.869 10.787 -9.326 1.00 0.00 N ATOM 1345 CA THR A 365 1.028 11.980 -9.342 1.00 0.00 C ATOM 1346 C THR A 365 0.227 12.129 -10.645 1.00 0.00 C ATOM 1347 O THR A 365 -0.305 13.200 -10.930 1.00 0.00 O ATOM 1348 CB THR A 365 1.915 13.197 -9.060 1.00 0.00 C ATOM 1349 OG1 THR A 365 1.150 14.373 -8.917 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.933 13.387 -10.180 1.00 0.00 C ATOM 0 H THR A 365 2.866 11.001 -9.331 1.00 0.00 H new ATOM 0 HA THR A 365 0.271 11.892 -8.563 1.00 0.00 H new ATOM 0 HB THR A 365 2.437 13.008 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.397 14.352 -9.544 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.555 14.256 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.562 12.500 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.411 13.541 -11.124 1.00 0.00 H new