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 338 HIS : no HD1:sc= -0.701 K(o=-0.68,f=-1.7) USER MOD Set 1.2: A 363 SER OG : rot -89:sc= 0.0185 USER MOD Set 2.1: A 301 THR OG1 : rot 69:sc= 0.816 USER MOD Set 2.2: A 303 ASN :FLIP amide:sc= 0.727 F(o=-0.76,f=1.5) USER MOD Set 3.1: A 290 CYS SG : rot 180:sc= -0.407 USER MOD Set 3.2: A 292 HIS : no HE2:sc= -0.237 K(o=-0.64,f=-3.7!) USER MOD Single : A 289 HIS : no HD1:sc= -2.32! X(o=-2.3!,f=-1.8) USER MOD Single : A 293 MET CE :methyl 160:sc= -0.0981 (180deg=-0.553) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.0236 X(o=0.024,f=-0.16) USER MOD Single : A 310 SER OG : rot -150:sc= 0.782 USER MOD Single : A 313 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.13) USER MOD Single : A 318 HIS : no HD1:sc= -0.634 X(o=-0.63,f=-0.27) USER MOD Single : A 337 THR OG1 : rot -11:sc= 1.07 USER MOD Single : A 345 MET CE :methyl -169:sc= -1.98! (180deg=-2.39!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 ASN : amide:sc= -0.0846 K(o=-0.085,f=-2.4!) USER MOD Single : A 352 MET CE :methyl 172:sc= -0.23 (180deg=-0.401) USER MOD Single : A 353 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 354 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-1.8!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.407 K(o=-0.41,f=-0.94) USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 365 THR OG1 : rot -36:sc= 0.675 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.454 5.297 -6.859 1.00 0.00 N ATOM 160 CA HIS A 289 -3.062 5.221 -6.444 1.00 0.00 C ATOM 161 C HIS A 289 -2.896 4.054 -5.474 1.00 0.00 C ATOM 162 O HIS A 289 -3.829 3.743 -4.735 1.00 0.00 O ATOM 163 CB HIS A 289 -2.685 6.563 -5.816 1.00 0.00 C ATOM 164 CG HIS A 289 -2.790 7.696 -6.802 1.00 0.00 C ATOM 165 ND1 HIS A 289 -1.759 8.257 -7.519 1.00 0.00 N ATOM 166 CD2 HIS A 289 -3.935 8.358 -7.153 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.277 9.236 -8.282 1.00 0.00 C ATOM 168 NE2 HIS A 289 -3.603 9.342 -8.091 1.00 0.00 N ATOM 0 HA HIS A 289 -2.396 5.038 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.337 6.761 -4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.666 6.510 -5.432 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -4.925 8.156 -6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -1.704 9.854 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.237 10.004 -8.538 1.00 0.00 H new ATOM 176 N CYS A 290 -1.728 3.398 -5.456 1.00 0.00 N ATOM 177 CA CYS A 290 -1.528 2.267 -4.568 1.00 0.00 C ATOM 178 C CYS A 290 -0.065 2.135 -4.153 1.00 0.00 C ATOM 179 O CYS A 290 0.813 2.810 -4.690 1.00 0.00 O ATOM 180 CB CYS A 290 -2.004 1.002 -5.291 1.00 0.00 C ATOM 181 SG CYS A 290 -2.193 -0.374 -4.126 1.00 0.00 S ATOM 0 H CYS A 290 -0.925 3.633 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.103 2.416 -3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -2.955 1.197 -5.787 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.289 0.731 -6.068 1.00 0.00 H new ATOM 0 HG CYS A 290 -2.599 -1.431 -4.765 1.00 0.00 H new ATOM 187 N VAL A 291 0.176 1.250 -3.184 1.00 0.00 N ATOM 188 CA VAL A 291 1.483 0.866 -2.677 1.00 0.00 C ATOM 189 C VAL A 291 1.336 -0.572 -2.178 1.00 0.00 C ATOM 190 O VAL A 291 0.218 -1.016 -1.916 1.00 0.00 O ATOM 191 CB VAL A 291 1.890 1.806 -1.532 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.247 1.450 -0.932 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.983 3.260 -1.996 1.00 0.00 C ATOM 0 H VAL A 291 -0.581 0.758 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 291 2.256 0.934 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 291 1.107 1.685 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.483 2.147 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.214 0.435 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.014 1.513 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.273 3.892 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.728 3.343 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.014 3.584 -2.375 1.00 0.00 H new ATOM 203 N HIS A 292 2.435 -1.315 -2.039 1.00 0.00 N ATOM 204 CA HIS A 292 2.372 -2.692 -1.566 1.00 0.00 C ATOM 205 C HIS A 292 3.274 -2.856 -0.355 1.00 0.00 C ATOM 206 O HIS A 292 4.211 -2.080 -0.178 1.00 0.00 O ATOM 207 CB HIS A 292 2.789 -3.648 -2.685 1.00 0.00 C ATOM 208 CG HIS A 292 1.927 -3.569 -3.918 1.00 0.00 C ATOM 209 ND1 HIS A 292 0.714 -2.928 -4.040 1.00 0.00 N ATOM 210 CD2 HIS A 292 2.209 -4.128 -5.136 1.00 0.00 C ATOM 211 CE1 HIS A 292 0.284 -3.099 -5.301 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.162 -3.827 -6.012 1.00 0.00 N ATOM 0 H HIS A 292 3.377 -0.984 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 292 1.349 -2.930 -1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 292 3.821 -3.436 -2.963 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.765 -4.669 -2.303 1.00 0.00 H new ATOM 0 HD1 HIS A 292 0.229 -2.415 -3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.090 -4.703 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.643 -2.705 -5.691 1.00 0.00 H new ATOM 220 N MET A 293 2.997 -3.862 0.480 1.00 0.00 N ATOM 221 CA MET A 293 3.769 -4.068 1.693 1.00 0.00 C ATOM 222 C MET A 293 3.784 -5.536 2.108 1.00 0.00 C ATOM 223 O MET A 293 2.927 -6.323 1.703 1.00 0.00 O ATOM 224 CB MET A 293 3.202 -3.173 2.802 1.00 0.00 C ATOM 225 CG MET A 293 1.919 -3.710 3.440 1.00 0.00 C ATOM 226 SD MET A 293 2.145 -5.037 4.660 1.00 0.00 S ATOM 227 CE MET A 293 3.052 -4.145 5.950 1.00 0.00 C ATOM 0 H MET A 293 2.248 -4.538 0.333 1.00 0.00 H new ATOM 0 HA MET A 293 4.807 -3.792 1.507 1.00 0.00 H new ATOM 0 HB2 MET A 293 3.958 -3.051 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 293 3.004 -2.183 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.400 -2.882 3.923 1.00 0.00 H new ATOM 0 HG3 MET A 293 1.266 -4.077 2.648 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.963 -4.682 6.894 1.00 0.00 H new ATOM 0 HE2 MET A 293 4.103 -4.072 5.671 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.636 -3.144 6.061 1.00 0.00 H new ATOM 237 N ARG A 294 4.773 -5.894 2.928 1.00 0.00 N ATOM 238 CA ARG A 294 4.924 -7.230 3.482 1.00 0.00 C ATOM 239 C ARG A 294 5.861 -7.135 4.686 1.00 0.00 C ATOM 240 O ARG A 294 6.235 -6.035 5.090 1.00 0.00 O ATOM 241 CB ARG A 294 5.449 -8.173 2.391 1.00 0.00 C ATOM 242 CG ARG A 294 5.102 -9.637 2.677 1.00 0.00 C ATOM 243 CD ARG A 294 5.405 -10.476 1.436 1.00 0.00 C ATOM 244 NE ARG A 294 5.185 -11.904 1.689 1.00 0.00 N ATOM 245 CZ ARG A 294 5.013 -12.815 0.727 1.00 0.00 C ATOM 246 NH1 ARG A 294 4.957 -12.459 -0.554 1.00 0.00 N ATOM 247 NH2 ARG A 294 4.894 -14.101 1.044 1.00 0.00 N ATOM 0 H ARG A 294 5.503 -5.248 3.228 1.00 0.00 H new ATOM 0 HA ARG A 294 3.973 -7.639 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 294 5.028 -7.883 1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.531 -8.067 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.680 -10.001 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 294 4.049 -9.728 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 294 4.772 -10.149 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 294 6.438 -10.314 1.129 1.00 0.00 H new ATOM 0 HE ARG A 294 5.162 -12.221 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 294 5.046 -11.477 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 294 4.825 -13.168 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 294 4.934 -14.391 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 294 4.763 -14.797 0.310 1.00 0.00 H new ATOM 261 N GLY A 295 6.250 -8.270 5.268 1.00 0.00 N ATOM 262 CA GLY A 295 7.097 -8.281 6.448 1.00 0.00 C ATOM 263 C GLY A 295 6.347 -8.746 7.688 1.00 0.00 C ATOM 264 O GLY A 295 6.983 -9.088 8.681 1.00 0.00 O ATOM 0 H GLY A 295 5.986 -9.197 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.951 -8.936 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.493 -7.280 6.619 1.00 0.00 H new ATOM 268 N LEU A 296 5.008 -8.762 7.644 1.00 0.00 N ATOM 269 CA LEU A 296 4.213 -9.138 8.804 1.00 0.00 C ATOM 270 C LEU A 296 4.713 -10.475 9.364 1.00 0.00 C ATOM 271 O LEU A 296 5.003 -11.385 8.586 1.00 0.00 O ATOM 272 CB LEU A 296 2.724 -9.203 8.437 1.00 0.00 C ATOM 273 CG LEU A 296 2.151 -7.840 8.019 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.646 -7.968 7.781 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.364 -6.774 9.095 1.00 0.00 C ATOM 0 H LEU A 296 4.461 -8.519 6.818 1.00 0.00 H new ATOM 0 HA LEU A 296 4.326 -8.380 9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 296 2.586 -9.914 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.161 -9.582 9.290 1.00 0.00 H new ATOM 0 HG LEU A 296 2.673 -7.537 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.241 -7.000 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.463 -8.696 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.159 -8.299 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.943 -5.827 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.869 -7.083 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.431 -6.652 9.280 1.00 0.00 H new ATOM 344 N ALA A 300 0.068 -11.166 12.136 1.00 0.00 N ATOM 345 CA ALA A 300 -0.476 -9.816 12.193 1.00 0.00 C ATOM 346 C ALA A 300 -1.394 -9.569 10.996 1.00 0.00 C ATOM 347 O ALA A 300 -1.508 -10.423 10.118 1.00 0.00 O ATOM 348 CB ALA A 300 0.679 -8.816 12.227 1.00 0.00 C ATOM 0 HA ALA A 300 -1.073 -9.691 13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.281 -7.802 12.270 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.295 -9.002 13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.286 -8.930 11.329 1.00 0.00 H new ATOM 354 N THR A 301 -2.049 -8.404 10.954 1.00 0.00 N ATOM 355 CA THR A 301 -3.050 -8.113 9.932 1.00 0.00 C ATOM 356 C THR A 301 -3.098 -6.633 9.579 1.00 0.00 C ATOM 357 O THR A 301 -2.367 -5.814 10.127 1.00 0.00 O ATOM 358 CB THR A 301 -4.449 -8.550 10.394 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.550 -8.565 11.800 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.779 -9.934 9.851 1.00 0.00 C ATOM 0 H THR A 301 -1.900 -7.647 11.621 1.00 0.00 H new ATOM 0 HA THR A 301 -2.755 -8.676 9.046 1.00 0.00 H new ATOM 0 HB THR A 301 -5.161 -7.823 10.004 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.509 -7.647 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.773 -10.229 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.756 -9.912 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.045 -10.652 10.215 1.00 0.00 H new ATOM 368 N GLU A 302 -3.987 -6.307 8.640 1.00 0.00 N ATOM 369 CA GLU A 302 -4.209 -4.958 8.147 1.00 0.00 C ATOM 370 C GLU A 302 -4.433 -3.930 9.253 1.00 0.00 C ATOM 371 O GLU A 302 -4.108 -2.759 9.066 1.00 0.00 O ATOM 372 CB GLU A 302 -5.399 -4.991 7.191 1.00 0.00 C ATOM 373 CG GLU A 302 -6.721 -5.126 7.946 1.00 0.00 C ATOM 374 CD GLU A 302 -7.854 -5.581 7.026 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.987 -4.993 5.930 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.578 -6.520 7.427 1.00 0.00 O ATOM 0 H GLU A 302 -4.588 -6.999 8.192 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.303 -4.634 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.412 -4.080 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.288 -5.825 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.604 -5.841 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.981 -4.169 8.398 1.00 0.00 H new ATOM 383 N ASN A 303 -4.982 -4.346 10.399 1.00 0.00 N ATOM 384 CA ASN A 303 -5.216 -3.429 11.506 1.00 0.00 C ATOM 385 C ASN A 303 -3.897 -2.869 12.043 1.00 0.00 C ATOM 386 O ASN A 303 -3.889 -1.823 12.689 1.00 0.00 O ATOM 387 CB ASN A 303 -6.006 -4.123 12.617 1.00 0.00 C ATOM 388 CG ASN A 303 -5.071 -4.932 13.494 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.398 -5.905 12.895 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -4.955 -4.685 14.692 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.269 -5.308 10.578 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.807 -2.591 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.531 -3.381 13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.764 -4.774 12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -5.493 -3.926 15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.321 -5.239 15.268 1.00 0.00 H new ATOM 397 N ASP A 304 -2.785 -3.563 11.775 1.00 0.00 N ATOM 398 CA ASP A 304 -1.458 -3.132 12.161 1.00 0.00 C ATOM 399 C ASP A 304 -0.783 -2.362 11.029 1.00 0.00 C ATOM 400 O ASP A 304 0.040 -1.481 11.278 1.00 0.00 O ATOM 401 CB ASP A 304 -0.643 -4.379 12.509 1.00 0.00 C ATOM 402 CG ASP A 304 -1.209 -5.113 13.722 1.00 0.00 C ATOM 403 OD1 ASP A 304 -1.204 -4.506 14.817 1.00 0.00 O ATOM 404 OD2 ASP A 304 -1.641 -6.275 13.543 1.00 0.00 O ATOM 0 H ASP A 304 -2.794 -4.452 11.276 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.522 -2.463 13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -0.628 -5.053 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.390 -4.093 12.708 1.00 0.00 H new ATOM 409 N ILE A 305 -1.130 -2.694 9.784 1.00 0.00 N ATOM 410 CA ILE A 305 -0.552 -2.046 8.620 1.00 0.00 C ATOM 411 C ILE A 305 -0.895 -0.561 8.592 1.00 0.00 C ATOM 412 O ILE A 305 0.006 0.275 8.612 1.00 0.00 O ATOM 413 CB ILE A 305 -1.089 -2.711 7.358 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.667 -4.181 7.313 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.571 -1.966 6.124 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.194 -4.833 6.038 1.00 0.00 C ATOM 0 H ILE A 305 -1.816 -3.416 9.562 1.00 0.00 H new ATOM 0 HA ILE A 305 0.532 -2.148 8.670 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.178 -2.668 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.420 -4.258 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.053 -4.706 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -0.956 -2.443 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -0.906 -0.929 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.519 -1.995 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.890 -5.879 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.282 -4.771 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.787 -4.315 5.170 1.00 0.00 H new ATOM 428 N TYR A 306 -2.187 -0.213 8.547 1.00 0.00 N ATOM 429 CA TYR A 306 -2.573 1.190 8.494 1.00 0.00 C ATOM 430 C TYR A 306 -2.321 1.871 9.839 1.00 0.00 C ATOM 431 O TYR A 306 -2.631 3.048 10.010 1.00 0.00 O ATOM 432 CB TYR A 306 -4.010 1.364 7.984 1.00 0.00 C ATOM 433 CG TYR A 306 -5.142 0.914 8.885 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.537 1.729 9.956 1.00 0.00 C ATOM 435 CD2 TYR A 306 -5.810 -0.300 8.649 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.602 1.348 10.783 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.877 -0.687 9.471 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.275 0.133 10.544 1.00 0.00 C ATOM 439 OH TYR A 306 -8.308 -0.247 11.349 1.00 0.00 O ATOM 0 H TYR A 306 -2.964 -0.874 8.546 1.00 0.00 H new ATOM 0 HA TYR A 306 -1.940 1.695 7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.160 2.420 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.098 0.824 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.017 2.656 10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.500 -0.936 7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -6.906 1.984 11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.395 -1.616 9.281 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.661 -1.109 11.044 1.00 0.00 H new ATOM 449 N ASN A 307 -1.756 1.121 10.790 1.00 0.00 N ATOM 450 CA ASN A 307 -1.406 1.615 12.108 1.00 0.00 C ATOM 451 C ASN A 307 0.088 1.953 12.194 1.00 0.00 C ATOM 452 O ASN A 307 0.508 2.600 13.153 1.00 0.00 O ATOM 453 CB ASN A 307 -1.823 0.535 13.107 1.00 0.00 C ATOM 454 CG ASN A 307 -0.876 0.410 14.287 1.00 0.00 C ATOM 455 OD1 ASN A 307 -1.087 1.005 15.340 1.00 0.00 O ATOM 456 ND2 ASN A 307 0.179 -0.377 14.101 1.00 0.00 N ATOM 0 H ASN A 307 -1.528 0.136 10.654 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.924 2.547 12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.824 0.758 13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.879 -0.424 12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 307 0.857 -0.508 14.852 1.00 0.00 H new ATOM 0 HD22 ASN A 307 0.311 -0.850 13.207 1.00 0.00 H new ATOM 463 N PHE A 308 0.895 1.528 11.213 1.00 0.00 N ATOM 464 CA PHE A 308 2.321 1.840 11.203 1.00 0.00 C ATOM 465 C PHE A 308 2.738 2.606 9.947 1.00 0.00 C ATOM 466 O PHE A 308 3.798 3.229 9.931 1.00 0.00 O ATOM 467 CB PHE A 308 3.131 0.544 11.322 1.00 0.00 C ATOM 468 CG PHE A 308 3.838 0.138 10.046 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.133 -0.518 9.027 1.00 0.00 C ATOM 470 CD2 PHE A 308 5.202 0.423 9.877 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.779 -0.858 7.830 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.850 0.078 8.681 1.00 0.00 C ATOM 473 CZ PHE A 308 5.136 -0.554 7.654 1.00 0.00 C ATOM 0 H PHE A 308 0.581 0.969 10.420 1.00 0.00 H new ATOM 0 HA PHE A 308 2.525 2.487 12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.871 0.662 12.113 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.464 -0.262 11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.090 -0.762 9.164 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.754 0.908 10.669 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.231 -1.354 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.899 0.300 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.631 -0.807 6.728 1.00 0.00 H new ATOM 483 N PHE A 309 1.912 2.564 8.896 1.00 0.00 N ATOM 484 CA PHE A 309 2.246 3.174 7.619 1.00 0.00 C ATOM 485 C PHE A 309 2.360 4.692 7.732 1.00 0.00 C ATOM 486 O PHE A 309 3.323 5.287 7.251 1.00 0.00 O ATOM 487 CB PHE A 309 1.144 2.817 6.618 1.00 0.00 C ATOM 488 CG PHE A 309 1.659 2.361 5.278 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.322 3.267 4.443 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.473 1.034 4.867 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.766 2.859 3.180 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.932 0.619 3.611 1.00 0.00 C ATOM 493 CZ PHE A 309 2.569 1.536 2.762 1.00 0.00 C ATOM 0 H PHE A 309 1.000 2.107 8.913 1.00 0.00 H new ATOM 0 HA PHE A 309 3.214 2.796 7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.522 2.030 7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.503 3.687 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.491 4.281 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.976 0.331 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.260 3.564 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.796 -0.405 3.297 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.908 1.222 1.786 1.00 0.00 H new ATOM 503 N SER A 310 1.364 5.306 8.375 1.00 0.00 N ATOM 504 CA SER A 310 1.246 6.739 8.559 1.00 0.00 C ATOM 505 C SER A 310 -0.046 7.010 9.332 1.00 0.00 C ATOM 506 O SER A 310 -0.880 6.112 9.444 1.00 0.00 O ATOM 507 CB SER A 310 1.184 7.401 7.183 1.00 0.00 C ATOM 508 OG SER A 310 0.281 6.717 6.340 1.00 0.00 O ATOM 0 H SER A 310 0.591 4.790 8.795 1.00 0.00 H new ATOM 0 HA SER A 310 2.096 7.139 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.875 8.441 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 310 2.176 7.408 6.732 1.00 0.00 H new ATOM 0 HG SER A 310 0.573 6.805 5.409 1.00 0.00 H new ATOM 514 N PRO A 311 -0.237 8.223 9.872 1.00 0.00 N ATOM 515 CA PRO A 311 -1.449 8.589 10.591 1.00 0.00 C ATOM 516 C PRO A 311 -2.687 8.646 9.688 1.00 0.00 C ATOM 517 O PRO A 311 -3.776 8.964 10.165 1.00 0.00 O ATOM 518 CB PRO A 311 -1.145 9.948 11.224 1.00 0.00 C ATOM 519 CG PRO A 311 -0.104 10.551 10.284 1.00 0.00 C ATOM 520 CD PRO A 311 0.699 9.333 9.838 1.00 0.00 C ATOM 0 HA PRO A 311 -1.699 7.836 11.338 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.038 10.570 11.287 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -0.758 9.842 12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -0.569 11.060 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.523 11.284 10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 311 1.105 9.475 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.545 9.155 10.502 1.00 0.00 H new ATOM 528 N LEU A 312 -2.535 8.343 8.394 1.00 0.00 N ATOM 529 CA LEU A 312 -3.630 8.271 7.443 1.00 0.00 C ATOM 530 C LEU A 312 -4.754 7.342 7.881 1.00 0.00 C ATOM 531 O LEU A 312 -4.598 6.468 8.733 1.00 0.00 O ATOM 532 CB LEU A 312 -3.074 7.790 6.102 1.00 0.00 C ATOM 533 CG LEU A 312 -2.676 8.949 5.192 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.842 10.009 5.900 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.907 8.395 3.997 1.00 0.00 C ATOM 0 H LEU A 312 -1.626 8.138 7.979 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.063 9.269 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.206 7.154 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.822 7.177 5.600 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.593 9.443 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.592 10.805 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.411 10.424 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -0.925 9.558 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.617 9.214 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.014 7.878 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.540 7.697 3.449 1.00 0.00 H new ATOM 547 N ASN A 313 -5.902 7.576 7.250 1.00 0.00 N ATOM 548 CA ASN A 313 -7.134 6.841 7.436 1.00 0.00 C ATOM 549 C ASN A 313 -7.026 5.442 6.823 1.00 0.00 C ATOM 550 O ASN A 313 -6.142 5.183 6.005 1.00 0.00 O ATOM 551 CB ASN A 313 -8.212 7.680 6.750 1.00 0.00 C ATOM 552 CG ASN A 313 -8.354 9.039 7.410 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.419 9.147 8.630 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.402 10.089 6.599 1.00 0.00 N ATOM 0 H ASN A 313 -5.995 8.323 6.562 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.368 6.687 8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.961 7.809 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.165 7.153 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.496 11.028 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.345 9.957 5.589 1.00 0.00 H new ATOM 561 N PRO A 314 -7.924 4.527 7.211 1.00 0.00 N ATOM 562 CA PRO A 314 -7.933 3.138 6.782 1.00 0.00 C ATOM 563 C PRO A 314 -8.588 2.962 5.410 1.00 0.00 C ATOM 564 O PRO A 314 -9.023 1.866 5.064 1.00 0.00 O ATOM 565 CB PRO A 314 -8.704 2.427 7.885 1.00 0.00 C ATOM 566 CG PRO A 314 -9.768 3.454 8.262 1.00 0.00 C ATOM 567 CD PRO A 314 -9.016 4.780 8.133 1.00 0.00 C ATOM 0 HA PRO A 314 -6.929 2.734 6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.147 1.495 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.064 2.177 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.628 3.410 7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.142 3.297 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.671 5.566 7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.641 5.113 9.101 1.00 0.00 H new ATOM 575 N VAL A 315 -8.654 4.050 4.634 1.00 0.00 N ATOM 576 CA VAL A 315 -9.180 4.082 3.266 1.00 0.00 C ATOM 577 C VAL A 315 -8.434 3.142 2.316 1.00 0.00 C ATOM 578 O VAL A 315 -8.682 3.180 1.112 1.00 0.00 O ATOM 579 CB VAL A 315 -9.045 5.492 2.664 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.846 6.560 3.399 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.578 5.929 2.628 1.00 0.00 C ATOM 0 H VAL A 315 -8.331 4.964 4.953 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.221 3.770 3.354 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.454 5.409 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.698 7.525 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.905 6.301 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.509 6.619 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.506 6.928 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.177 5.940 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.005 5.230 2.018 1.00 0.00 H new ATOM 591 N ARG A 316 -7.525 2.303 2.821 1.00 0.00 N ATOM 592 CA ARG A 316 -6.471 1.773 1.972 1.00 0.00 C ATOM 593 C ARG A 316 -6.208 0.277 2.062 1.00 0.00 C ATOM 594 O ARG A 316 -5.919 -0.331 1.035 1.00 0.00 O ATOM 595 CB ARG A 316 -5.198 2.552 2.315 1.00 0.00 C ATOM 596 CG ARG A 316 -4.846 2.508 3.807 1.00 0.00 C ATOM 597 CD ARG A 316 -3.649 3.419 4.074 1.00 0.00 C ATOM 598 NE ARG A 316 -3.509 3.706 5.507 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.469 4.349 6.042 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.453 4.742 5.278 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.438 4.605 7.349 1.00 0.00 N ATOM 0 H ARG A 316 -7.501 1.986 3.790 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.802 1.903 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.366 2.146 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.322 3.591 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.701 2.828 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.613 1.486 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -2.739 2.946 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.769 4.352 3.524 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.252 3.395 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.465 4.552 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.662 5.233 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.211 4.309 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.641 5.097 7.754 1.00 0.00 H new ATOM 615 N VAL A 317 -6.298 -0.328 3.245 1.00 0.00 N ATOM 616 CA VAL A 317 -5.825 -1.700 3.391 1.00 0.00 C ATOM 617 C VAL A 317 -6.624 -2.719 2.592 1.00 0.00 C ATOM 618 O VAL A 317 -7.825 -2.571 2.371 1.00 0.00 O ATOM 619 CB VAL A 317 -5.777 -2.150 4.842 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.588 -1.477 5.519 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.095 -1.859 5.555 1.00 0.00 C ATOM 0 H VAL A 317 -6.681 0.095 4.091 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.814 -1.669 2.984 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.643 -3.231 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.539 -1.789 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.668 -1.765 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.706 -0.395 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.030 -2.192 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.293 -0.787 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.905 -2.389 5.054 1.00 0.00 H new ATOM 631 N HIS A 318 -5.901 -3.758 2.172 1.00 0.00 N ATOM 632 CA HIS A 318 -6.397 -4.936 1.489 1.00 0.00 C ATOM 633 C HIS A 318 -5.392 -6.060 1.747 1.00 0.00 C ATOM 634 O HIS A 318 -4.298 -5.804 2.250 1.00 0.00 O ATOM 635 CB HIS A 318 -6.458 -4.667 -0.013 1.00 0.00 C ATOM 636 CG HIS A 318 -7.442 -3.608 -0.426 1.00 0.00 C ATOM 637 ND1 HIS A 318 -7.152 -2.460 -1.127 1.00 0.00 N ATOM 638 CD2 HIS A 318 -8.789 -3.603 -0.182 1.00 0.00 C ATOM 639 CE1 HIS A 318 -8.300 -1.784 -1.300 1.00 0.00 C ATOM 640 NE2 HIS A 318 -9.333 -2.441 -0.742 1.00 0.00 N ATOM 0 H HIS A 318 -4.891 -3.794 2.312 1.00 0.00 H new ATOM 0 HA HIS A 318 -7.393 -5.200 1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.466 -4.374 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.710 -5.596 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -9.338 -4.365 0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -8.383 -0.840 -1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -10.311 -2.152 -0.730 1.00 0.00 H new ATOM 648 N ILE A 319 -5.748 -7.303 1.410 1.00 0.00 N ATOM 649 CA ILE A 319 -4.872 -8.446 1.636 1.00 0.00 C ATOM 650 C ILE A 319 -4.947 -9.393 0.442 1.00 0.00 C ATOM 651 O ILE A 319 -5.993 -9.523 -0.193 1.00 0.00 O ATOM 652 CB ILE A 319 -5.255 -9.138 2.954 1.00 0.00 C ATOM 653 CG1 ILE A 319 -5.006 -8.155 4.108 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.447 -10.422 3.162 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.247 -8.777 5.480 1.00 0.00 C ATOM 0 H ILE A 319 -6.641 -7.539 0.978 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.837 -8.116 1.728 1.00 0.00 H new ATOM 0 HB ILE A 319 -6.307 -9.420 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.980 -7.792 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.657 -7.289 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.741 -10.888 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.640 -11.111 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.384 -10.182 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -5.055 -8.035 6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.281 -9.115 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.577 -9.626 5.617 1.00 0.00 H new ATOM 667 N GLU A 320 -3.826 -10.053 0.142 1.00 0.00 N ATOM 668 CA GLU A 320 -3.700 -10.930 -1.013 1.00 0.00 C ATOM 669 C GLU A 320 -2.753 -12.098 -0.707 1.00 0.00 C ATOM 670 O GLU A 320 -2.048 -12.099 0.305 1.00 0.00 O ATOM 671 CB GLU A 320 -3.210 -10.069 -2.184 1.00 0.00 C ATOM 672 CG GLU A 320 -3.156 -10.833 -3.504 1.00 0.00 C ATOM 673 CD GLU A 320 -2.952 -9.878 -4.679 1.00 0.00 C ATOM 674 OE1 GLU A 320 -1.782 -9.524 -4.943 1.00 0.00 O ATOM 675 OE2 GLU A 320 -3.970 -9.510 -5.307 1.00 0.00 O ATOM 0 H GLU A 320 -2.976 -9.990 0.702 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.657 -11.383 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.869 -9.208 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -2.217 -9.683 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -2.344 -11.559 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -4.080 -11.394 -3.642 1.00 0.00 H new ATOM 817 N ALA A 331 0.025 -7.961 1.485 1.00 0.00 N ATOM 818 CA ALA A 331 -0.969 -6.905 1.530 1.00 0.00 C ATOM 819 C ALA A 331 -0.597 -5.730 0.640 1.00 0.00 C ATOM 820 O ALA A 331 0.540 -5.588 0.192 1.00 0.00 O ATOM 821 CB ALA A 331 -1.117 -6.444 2.979 1.00 0.00 C ATOM 0 HA ALA A 331 -1.913 -7.298 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.861 -5.649 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -1.436 -7.283 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -0.159 -6.070 3.342 1.00 0.00 H new ATOM 827 N ASP A 332 -1.594 -4.885 0.396 1.00 0.00 N ATOM 828 CA ASP A 332 -1.430 -3.664 -0.366 1.00 0.00 C ATOM 829 C ASP A 332 -2.308 -2.568 0.229 1.00 0.00 C ATOM 830 O ASP A 332 -3.194 -2.845 1.037 1.00 0.00 O ATOM 831 CB ASP A 332 -1.771 -3.922 -1.834 1.00 0.00 C ATOM 832 CG ASP A 332 -3.238 -4.303 -2.024 1.00 0.00 C ATOM 833 OD1 ASP A 332 -3.542 -5.509 -1.898 1.00 0.00 O ATOM 834 OD2 ASP A 332 -4.040 -3.380 -2.292 1.00 0.00 O ATOM 0 H ASP A 332 -2.547 -5.036 0.728 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.393 -3.331 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.550 -3.030 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -1.137 -4.721 -2.218 1.00 0.00 H new ATOM 839 N VAL A 333 -2.055 -1.324 -0.174 1.00 0.00 N ATOM 840 CA VAL A 333 -2.769 -0.177 0.357 1.00 0.00 C ATOM 841 C VAL A 333 -3.066 0.819 -0.760 1.00 0.00 C ATOM 842 O VAL A 333 -2.161 1.364 -1.387 1.00 0.00 O ATOM 843 CB VAL A 333 -1.976 0.471 1.502 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.948 -0.435 2.732 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.534 0.783 1.115 1.00 0.00 C ATOM 0 H VAL A 333 -1.352 -1.089 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.721 -0.510 0.770 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.492 1.405 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.380 0.048 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.967 -0.617 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.477 -1.384 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.021 1.239 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.024 -0.139 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.525 1.472 0.271 1.00 0.00 H new ATOM 855 N GLU A 334 -4.356 1.056 -1.007 1.00 0.00 N ATOM 856 CA GLU A 334 -4.802 2.033 -1.987 1.00 0.00 C ATOM 857 C GLU A 334 -4.601 3.430 -1.400 1.00 0.00 C ATOM 858 O GLU A 334 -4.422 3.570 -0.194 1.00 0.00 O ATOM 859 CB GLU A 334 -6.276 1.762 -2.302 1.00 0.00 C ATOM 860 CG GLU A 334 -6.781 2.598 -3.480 1.00 0.00 C ATOM 861 CD GLU A 334 -8.224 2.235 -3.824 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.416 1.186 -4.481 1.00 0.00 O ATOM 863 OE2 GLU A 334 -9.127 3.007 -3.430 1.00 0.00 O ATOM 0 H GLU A 334 -5.117 0.573 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.232 1.962 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.409 0.704 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.879 1.978 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.717 3.658 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.143 2.434 -4.348 1.00 0.00 H new ATOM 870 N PHE A 335 -4.625 4.477 -2.224 1.00 0.00 N ATOM 871 CA PHE A 335 -4.494 5.831 -1.714 1.00 0.00 C ATOM 872 C PHE A 335 -5.309 6.817 -2.533 1.00 0.00 C ATOM 873 O PHE A 335 -5.469 6.674 -3.749 1.00 0.00 O ATOM 874 CB PHE A 335 -3.025 6.254 -1.702 1.00 0.00 C ATOM 875 CG PHE A 335 -2.238 5.652 -0.561 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.547 6.010 0.759 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.205 4.740 -0.814 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.832 5.451 1.825 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.485 4.189 0.254 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.800 4.538 1.572 1.00 0.00 C ATOM 0 H PHE A 335 -4.733 4.410 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.880 5.838 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.563 5.964 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.968 7.341 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -3.338 6.719 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.964 4.462 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -2.076 5.723 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.317 3.492 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 335 -0.248 4.104 2.393 1.00 0.00 H new ATOM 890 N ALA A 336 -5.817 7.822 -1.818 1.00 0.00 N ATOM 891 CA ALA A 336 -6.508 8.954 -2.391 1.00 0.00 C ATOM 892 C ALA A 336 -5.443 9.927 -2.904 1.00 0.00 C ATOM 893 O ALA A 336 -4.847 10.676 -2.128 1.00 0.00 O ATOM 894 CB ALA A 336 -7.414 9.578 -1.324 1.00 0.00 C ATOM 0 H ALA A 336 -5.752 7.862 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 336 -7.149 8.669 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.940 10.434 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.139 8.838 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.808 9.907 -0.479 1.00 0.00 H new ATOM 900 N THR A 337 -5.221 9.896 -4.223 1.00 0.00 N ATOM 901 CA THR A 337 -4.241 10.701 -4.946 1.00 0.00 C ATOM 902 C THR A 337 -2.814 10.346 -4.548 1.00 0.00 C ATOM 903 O THR A 337 -2.574 9.702 -3.526 1.00 0.00 O ATOM 904 CB THR A 337 -4.497 12.207 -4.822 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.178 12.681 -3.537 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.946 12.559 -5.151 1.00 0.00 C ATOM 0 H THR A 337 -5.747 9.278 -4.841 1.00 0.00 H new ATOM 0 HA THR A 337 -4.365 10.452 -6.000 1.00 0.00 H new ATOM 0 HB THR A 337 -3.845 12.694 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.019 11.922 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.090 13.635 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.171 12.255 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.612 12.039 -4.463 1.00 0.00 H new ATOM 914 N HIS A 338 -1.851 10.770 -5.369 1.00 0.00 N ATOM 915 CA HIS A 338 -0.450 10.525 -5.083 1.00 0.00 C ATOM 916 C HIS A 338 -0.009 11.312 -3.849 1.00 0.00 C ATOM 917 O HIS A 338 1.038 11.030 -3.274 1.00 0.00 O ATOM 918 CB HIS A 338 0.382 10.906 -6.305 1.00 0.00 C ATOM 919 CG HIS A 338 1.835 10.556 -6.147 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.364 9.294 -6.002 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.877 11.441 -6.123 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.698 9.421 -5.898 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.064 10.713 -5.975 1.00 0.00 N ATOM 0 H HIS A 338 -2.023 11.283 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.300 9.467 -4.867 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.017 10.399 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.288 11.977 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.798 12.515 -6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.384 8.597 -5.770 1.00 0.00 H new ATOM 0 HE2 HIS A 338 5.012 11.086 -5.934 1.00 0.00 H new ATOM 931 N GLU A 339 -0.803 12.304 -3.435 1.00 0.00 N ATOM 932 CA GLU A 339 -0.476 13.141 -2.292 1.00 0.00 C ATOM 933 C GLU A 339 -0.583 12.360 -0.987 1.00 0.00 C ATOM 934 O GLU A 339 0.254 12.537 -0.103 1.00 0.00 O ATOM 935 CB GLU A 339 -1.411 14.346 -2.278 1.00 0.00 C ATOM 936 CG GLU A 339 -1.070 15.228 -3.475 1.00 0.00 C ATOM 937 CD GLU A 339 -1.989 16.447 -3.550 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.806 17.361 -2.716 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.869 16.455 -4.440 1.00 0.00 O ATOM 0 H GLU A 339 -1.686 12.544 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 339 0.556 13.480 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.450 14.021 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.297 14.905 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.033 15.556 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.158 14.647 -4.393 1.00 0.00 H new ATOM 946 N GLU A 340 -1.592 11.498 -0.844 1.00 0.00 N ATOM 947 CA GLU A 340 -1.615 10.614 0.315 1.00 0.00 C ATOM 948 C GLU A 340 -0.608 9.481 0.124 1.00 0.00 C ATOM 949 O GLU A 340 -0.106 8.932 1.105 1.00 0.00 O ATOM 950 CB GLU A 340 -3.015 10.046 0.551 1.00 0.00 C ATOM 951 CG GLU A 340 -3.946 11.154 1.048 1.00 0.00 C ATOM 952 CD GLU A 340 -5.304 10.614 1.500 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.434 9.377 1.638 1.00 0.00 O ATOM 954 OE2 GLU A 340 -6.208 11.453 1.707 1.00 0.00 O ATOM 0 H GLU A 340 -2.374 11.396 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.339 11.196 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.404 9.618 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.972 9.239 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.472 11.678 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -4.095 11.884 0.253 1.00 0.00 H new ATOM 961 N ALA A 341 -0.303 9.120 -1.127 1.00 0.00 N ATOM 962 CA ALA A 341 0.647 8.049 -1.377 1.00 0.00 C ATOM 963 C ALA A 341 2.046 8.438 -0.886 1.00 0.00 C ATOM 964 O ALA A 341 2.739 7.609 -0.298 1.00 0.00 O ATOM 965 CB ALA A 341 0.662 7.706 -2.868 1.00 0.00 C ATOM 0 H ALA A 341 -0.696 9.550 -1.964 1.00 0.00 H new ATOM 0 HA ALA A 341 0.337 7.164 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.376 6.903 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.332 7.384 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.953 8.586 -3.441 1.00 0.00 H new ATOM 971 N VAL A 342 2.474 9.685 -1.117 1.00 0.00 N ATOM 972 CA VAL A 342 3.762 10.155 -0.613 1.00 0.00 C ATOM 973 C VAL A 342 3.691 10.464 0.880 1.00 0.00 C ATOM 974 O VAL A 342 4.715 10.431 1.561 1.00 0.00 O ATOM 975 CB VAL A 342 4.247 11.394 -1.372 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.402 11.072 -2.854 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.298 12.579 -1.205 1.00 0.00 C ATOM 0 H VAL A 342 1.948 10.380 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 342 4.477 9.348 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 342 5.211 11.676 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.747 11.959 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.129 10.269 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.441 10.757 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.683 13.434 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.312 12.312 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.221 12.837 -0.149 1.00 0.00 H new ATOM 987 N ALA A 343 2.495 10.763 1.400 1.00 0.00 N ATOM 988 CA ALA A 343 2.307 10.976 2.828 1.00 0.00 C ATOM 989 C ALA A 343 2.405 9.644 3.574 1.00 0.00 C ATOM 990 O ALA A 343 2.414 9.618 4.804 1.00 0.00 O ATOM 991 CB ALA A 343 0.950 11.632 3.076 1.00 0.00 C ATOM 0 H ALA A 343 1.644 10.862 0.846 1.00 0.00 H new ATOM 0 HA ALA A 343 3.089 11.637 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.812 11.790 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.910 12.591 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.158 10.984 2.700 1.00 0.00 H new ATOM 997 N ALA A 344 2.480 8.543 2.820 1.00 0.00 N ATOM 998 CA ALA A 344 2.656 7.206 3.360 1.00 0.00 C ATOM 999 C ALA A 344 3.999 6.605 2.931 1.00 0.00 C ATOM 1000 O ALA A 344 4.418 5.581 3.467 1.00 0.00 O ATOM 1001 CB ALA A 344 1.489 6.356 2.865 1.00 0.00 C ATOM 0 H ALA A 344 2.418 8.564 1.802 1.00 0.00 H new ATOM 0 HA ALA A 344 2.667 7.238 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.588 5.342 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.551 6.788 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.494 6.331 1.775 1.00 0.00 H new ATOM 1007 N MET A 345 4.679 7.236 1.966 1.00 0.00 N ATOM 1008 CA MET A 345 5.975 6.787 1.474 1.00 0.00 C ATOM 1009 C MET A 345 7.094 7.294 2.392 1.00 0.00 C ATOM 1010 O MET A 345 8.063 7.894 1.929 1.00 0.00 O ATOM 1011 CB MET A 345 6.154 7.264 0.029 1.00 0.00 C ATOM 1012 CG MET A 345 7.341 6.606 -0.681 1.00 0.00 C ATOM 1013 SD MET A 345 7.204 4.819 -0.955 1.00 0.00 S ATOM 1014 CE MET A 345 8.028 4.183 0.529 1.00 0.00 C ATOM 0 H MET A 345 4.337 8.079 1.505 1.00 0.00 H new ATOM 0 HA MET A 345 6.024 5.698 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.243 7.055 -0.531 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.290 8.345 0.024 1.00 0.00 H new ATOM 0 HG2 MET A 345 7.478 7.093 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.241 6.797 -0.097 1.00 0.00 H new ATOM 0 HE1 MET A 345 8.200 3.112 0.419 1.00 0.00 H new ATOM 0 HE2 MET A 345 8.983 4.692 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.398 4.362 1.400 1.00 0.00 H new ATOM 1024 N SER A 346 6.962 7.059 3.701 1.00 0.00 N ATOM 1025 CA SER A 346 7.890 7.580 4.697 1.00 0.00 C ATOM 1026 C SER A 346 8.315 6.511 5.704 1.00 0.00 C ATOM 1027 O SER A 346 8.777 6.839 6.796 1.00 0.00 O ATOM 1028 CB SER A 346 7.246 8.777 5.400 1.00 0.00 C ATOM 1029 OG SER A 346 6.047 8.378 6.034 1.00 0.00 O ATOM 0 H SER A 346 6.205 6.500 4.096 1.00 0.00 H new ATOM 0 HA SER A 346 8.800 7.900 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 346 7.935 9.191 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.039 9.566 4.677 1.00 0.00 H new ATOM 0 HG SER A 346 5.642 9.149 6.483 1.00 0.00 H new ATOM 1035 N LYS A 347 8.162 5.232 5.340 1.00 0.00 N ATOM 1036 CA LYS A 347 8.488 4.099 6.202 1.00 0.00 C ATOM 1037 C LYS A 347 9.292 3.047 5.435 1.00 0.00 C ATOM 1038 O LYS A 347 9.246 1.870 5.782 1.00 0.00 O ATOM 1039 CB LYS A 347 7.199 3.492 6.772 1.00 0.00 C ATOM 1040 CG LYS A 347 6.420 4.462 7.664 1.00 0.00 C ATOM 1041 CD LYS A 347 7.165 4.848 8.943 1.00 0.00 C ATOM 1042 CE LYS A 347 7.354 3.625 9.842 1.00 0.00 C ATOM 1043 NZ LYS A 347 8.020 3.991 11.107 1.00 0.00 N ATOM 0 H LYS A 347 7.803 4.956 4.426 1.00 0.00 H new ATOM 0 HA LYS A 347 9.105 4.452 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.560 3.173 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.448 2.600 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.197 5.365 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.465 4.010 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.136 5.275 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.608 5.617 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.385 3.174 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.947 2.874 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.135 3.142 11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 8.954 4.400 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 7.441 4.690 11.615 1.00 0.00 H new ATOM 1057 N ASP A 348 10.024 3.471 4.398 1.00 0.00 N ATOM 1058 CA ASP A 348 10.854 2.601 3.568 1.00 0.00 C ATOM 1059 C ASP A 348 11.592 1.566 4.418 1.00 0.00 C ATOM 1060 O ASP A 348 12.451 1.910 5.228 1.00 0.00 O ATOM 1061 CB ASP A 348 11.812 3.473 2.759 1.00 0.00 C ATOM 1062 CG ASP A 348 12.563 2.669 1.700 1.00 0.00 C ATOM 1063 OD1 ASP A 348 13.391 1.818 2.097 1.00 0.00 O ATOM 1064 OD2 ASP A 348 12.300 2.914 0.502 1.00 0.00 O ATOM 0 H ASP A 348 10.054 4.449 4.110 1.00 0.00 H new ATOM 0 HA ASP A 348 10.227 2.034 2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.253 4.274 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.528 3.945 3.432 1.00 0.00 H new ATOM 1069 N ARG A 349 11.230 0.294 4.205 1.00 0.00 N ATOM 1070 CA ARG A 349 11.711 -0.877 4.932 1.00 0.00 C ATOM 1071 C ARG A 349 11.977 -0.626 6.426 1.00 0.00 C ATOM 1072 O ARG A 349 12.945 -1.141 6.984 1.00 0.00 O ATOM 1073 CB ARG A 349 12.857 -1.546 4.184 1.00 0.00 C ATOM 1074 CG ARG A 349 14.161 -0.762 4.211 1.00 0.00 C ATOM 1075 CD ARG A 349 15.015 -1.430 3.146 1.00 0.00 C ATOM 1076 NE ARG A 349 16.418 -1.005 3.214 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.873 0.195 2.840 1.00 0.00 C ATOM 1078 NH1 ARG A 349 16.053 1.136 2.381 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.173 0.460 2.927 1.00 0.00 N ATOM 0 H ARG A 349 10.557 0.046 3.480 1.00 0.00 H new ATOM 0 HA ARG A 349 10.894 -1.598 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.030 -2.532 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.559 -1.698 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.997 0.292 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.635 -0.810 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.959 -2.512 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.613 -1.195 2.160 1.00 0.00 H new ATOM 0 HE ARG A 349 17.097 -1.676 3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 349 15.053 0.950 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.424 2.044 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.816 -0.250 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.527 1.373 2.643 1.00 0.00 H new ATOM 1093 N ALA A 350 11.108 0.169 7.060 1.00 0.00 N ATOM 1094 CA ALA A 350 11.133 0.481 8.486 1.00 0.00 C ATOM 1095 C ALA A 350 10.880 -0.767 9.342 1.00 0.00 C ATOM 1096 O ALA A 350 11.071 -1.893 8.888 1.00 0.00 O ATOM 1097 CB ALA A 350 10.076 1.553 8.758 1.00 0.00 C ATOM 0 H ALA A 350 10.340 0.629 6.571 1.00 0.00 H new ATOM 0 HA ALA A 350 12.121 0.851 8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.076 1.803 9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.304 2.445 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.094 1.176 8.474 1.00 0.00 H new ATOM 1103 N ASN A 351 10.447 -0.589 10.594 1.00 0.00 N ATOM 1104 CA ASN A 351 10.150 -1.720 11.460 1.00 0.00 C ATOM 1105 C ASN A 351 8.988 -1.429 12.410 1.00 0.00 C ATOM 1106 O ASN A 351 8.636 -0.278 12.660 1.00 0.00 O ATOM 1107 CB ASN A 351 11.408 -2.111 12.244 1.00 0.00 C ATOM 1108 CG ASN A 351 11.825 -1.059 13.267 1.00 0.00 C ATOM 1109 OD1 ASN A 351 11.760 0.141 13.015 1.00 0.00 O ATOM 1110 ND2 ASN A 351 12.260 -1.509 14.440 1.00 0.00 N ATOM 0 H ASN A 351 10.297 0.324 11.023 1.00 0.00 H new ATOM 0 HA ASN A 351 9.840 -2.554 10.831 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.231 -3.057 12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 351 12.228 -2.275 11.545 1.00 0.00 H new ATOM 0 HD21 ASN A 351 12.552 -0.851 15.162 1.00 0.00 H new ATOM 0 HD22 ASN A 351 12.302 -2.513 14.618 1.00 0.00 H new ATOM 1117 N MET A 352 8.401 -2.509 12.935 1.00 0.00 N ATOM 1118 CA MET A 352 7.318 -2.482 13.906 1.00 0.00 C ATOM 1119 C MET A 352 7.295 -3.832 14.613 1.00 0.00 C ATOM 1120 O MET A 352 7.427 -4.857 13.953 1.00 0.00 O ATOM 1121 CB MET A 352 5.989 -2.241 13.181 1.00 0.00 C ATOM 1122 CG MET A 352 4.816 -2.497 14.128 1.00 0.00 C ATOM 1123 SD MET A 352 3.188 -2.007 13.498 1.00 0.00 S ATOM 1124 CE MET A 352 3.149 -2.903 11.921 1.00 0.00 C ATOM 0 H MET A 352 8.681 -3.457 12.682 1.00 0.00 H new ATOM 0 HA MET A 352 7.465 -1.681 14.631 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.949 -1.217 12.810 1.00 0.00 H new ATOM 0 HB3 MET A 352 5.915 -2.897 12.314 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.789 -3.560 14.367 1.00 0.00 H new ATOM 0 HG3 MET A 352 5.001 -1.965 15.061 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.156 -2.819 11.479 1.00 0.00 H new ATOM 0 HE2 MET A 352 3.886 -2.475 11.241 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.382 -3.954 12.094 1.00 0.00 H new ATOM 1134 N GLN A 353 7.127 -3.806 15.942 1.00 0.00 N ATOM 1135 CA GLN A 353 7.071 -4.933 16.878 1.00 0.00 C ATOM 1136 C GLN A 353 8.150 -6.014 16.774 1.00 0.00 C ATOM 1137 O GLN A 353 8.302 -6.793 17.712 1.00 0.00 O ATOM 1138 CB GLN A 353 5.697 -5.591 16.840 1.00 0.00 C ATOM 1139 CG GLN A 353 5.450 -6.444 15.597 1.00 0.00 C ATOM 1140 CD GLN A 353 4.087 -7.095 15.749 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.956 -8.316 15.774 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.056 -6.262 15.853 1.00 0.00 N ATOM 0 H GLN A 353 7.017 -2.917 16.430 1.00 0.00 H new ATOM 0 HA GLN A 353 7.278 -4.451 17.833 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.580 -6.216 17.726 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.933 -4.816 16.894 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.482 -5.829 14.698 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.227 -7.202 15.492 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.210 -5.254 15.827 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.111 -6.631 15.958 1.00 0.00 H new ATOM 1151 N HIS A 354 8.900 -6.088 15.674 1.00 0.00 N ATOM 1152 CA HIS A 354 9.829 -7.181 15.461 1.00 0.00 C ATOM 1153 C HIS A 354 10.897 -6.796 14.436 1.00 0.00 C ATOM 1154 O HIS A 354 11.161 -5.611 14.234 1.00 0.00 O ATOM 1155 CB HIS A 354 9.033 -8.436 15.070 1.00 0.00 C ATOM 1156 CG HIS A 354 8.834 -8.650 13.591 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.095 -9.817 12.905 1.00 0.00 N ATOM 1158 CD2 HIS A 354 8.369 -7.744 12.679 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.801 -9.606 11.610 1.00 0.00 C ATOM 1160 NE2 HIS A 354 8.353 -8.354 11.422 1.00 0.00 N ATOM 0 H HIS A 354 8.877 -5.400 14.921 1.00 0.00 H new ATOM 0 HA HIS A 354 10.372 -7.404 16.379 1.00 0.00 H new ATOM 0 HB2 HIS A 354 9.542 -9.309 15.479 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.054 -8.386 15.546 1.00 0.00 H new ATOM 0 HD1 HIS A 354 9.448 -10.685 13.308 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.066 -6.730 12.893 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.910 -10.343 10.828 1.00 0.00 H new ATOM 1168 N ARG A 355 11.501 -7.805 13.800 1.00 0.00 N ATOM 1169 CA ARG A 355 12.647 -7.675 12.905 1.00 0.00 C ATOM 1170 C ARG A 355 12.561 -6.444 12.003 1.00 0.00 C ATOM 1171 O ARG A 355 13.241 -5.454 12.273 1.00 0.00 O ATOM 1172 CB ARG A 355 12.808 -8.975 12.116 1.00 0.00 C ATOM 1173 CG ARG A 355 14.020 -8.898 11.187 1.00 0.00 C ATOM 1174 CD ARG A 355 14.537 -10.296 10.836 1.00 0.00 C ATOM 1175 NE ARG A 355 13.532 -11.088 10.117 1.00 0.00 N ATOM 1176 CZ ARG A 355 12.855 -12.120 10.627 1.00 0.00 C ATOM 1177 NH1 ARG A 355 13.043 -12.518 11.884 1.00 0.00 N ATOM 1178 NH2 ARG A 355 11.976 -12.766 9.868 1.00 0.00 N ATOM 0 H ARG A 355 11.190 -8.771 13.901 1.00 0.00 H new ATOM 0 HA ARG A 355 13.542 -7.512 13.505 1.00 0.00 H new ATOM 0 HB2 ARG A 355 12.924 -9.812 12.805 1.00 0.00 H new ATOM 0 HB3 ARG A 355 11.908 -9.165 11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 355 13.749 -8.368 10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 355 14.813 -8.324 11.666 1.00 0.00 H new ATOM 0 HD2 ARG A 355 15.435 -10.208 10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 355 14.824 -10.817 11.750 1.00 0.00 H new ATOM 0 HE ARG A 355 13.335 -10.829 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 355 13.715 -12.032 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 355 12.515 -13.309 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 355 11.822 -12.473 8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 355 11.455 -13.555 10.250 1.00 0.00 H new ATOM 1192 N TYR A 356 11.744 -6.485 10.946 1.00 0.00 N ATOM 1193 CA TYR A 356 11.501 -5.308 10.120 1.00 0.00 C ATOM 1194 C TYR A 356 10.225 -5.475 9.294 1.00 0.00 C ATOM 1195 O TYR A 356 9.672 -6.566 9.222 1.00 0.00 O ATOM 1196 CB TYR A 356 12.749 -4.940 9.292 1.00 0.00 C ATOM 1197 CG TYR A 356 12.948 -5.480 7.884 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.562 -6.726 7.650 1.00 0.00 C ATOM 1199 CD2 TYR A 356 12.531 -4.702 6.792 1.00 0.00 C ATOM 1200 CE1 TYR A 356 13.807 -7.154 6.337 1.00 0.00 C ATOM 1201 CE2 TYR A 356 12.747 -5.141 5.481 1.00 0.00 C ATOM 1202 CZ TYR A 356 13.400 -6.363 5.246 1.00 0.00 C ATOM 1203 OH TYR A 356 13.637 -6.773 3.969 1.00 0.00 O ATOM 0 H TYR A 356 11.243 -7.321 10.646 1.00 0.00 H new ATOM 0 HA TYR A 356 11.322 -4.449 10.767 1.00 0.00 H new ATOM 0 HB2 TYR A 356 12.775 -3.853 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.619 -5.243 9.875 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.845 -7.353 8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 356 12.039 -3.756 6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 356 14.310 -8.094 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 356 12.411 -4.540 4.649 1.00 0.00 H new ATOM 0 HH TYR A 356 13.288 -6.106 3.341 1.00 0.00 H new ATOM 1213 N ILE A 357 9.756 -4.394 8.668 1.00 0.00 N ATOM 1214 CA ILE A 357 8.550 -4.387 7.843 1.00 0.00 C ATOM 1215 C ILE A 357 8.862 -3.539 6.618 1.00 0.00 C ATOM 1216 O ILE A 357 9.755 -2.696 6.668 1.00 0.00 O ATOM 1217 CB ILE A 357 7.360 -3.796 8.617 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.082 -4.528 9.937 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.101 -3.841 7.745 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.558 -5.951 9.739 1.00 0.00 C ATOM 0 H ILE A 357 10.213 -3.484 8.722 1.00 0.00 H new ATOM 0 HA ILE A 357 8.272 -5.402 7.558 1.00 0.00 H new ATOM 0 HB ILE A 357 7.624 -2.767 8.862 1.00 0.00 H new ATOM 0 HG12 ILE A 357 7.999 -4.564 10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.355 -3.957 10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.260 -3.421 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.266 -3.259 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.880 -4.874 7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.382 -6.412 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.624 -5.920 9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.294 -6.536 9.187 1.00 0.00 H new ATOM 1232 N GLU A 358 8.152 -3.732 5.508 1.00 0.00 N ATOM 1233 CA GLU A 358 8.518 -3.016 4.301 1.00 0.00 C ATOM 1234 C GLU A 358 7.316 -2.707 3.419 1.00 0.00 C ATOM 1235 O GLU A 358 6.332 -3.445 3.407 1.00 0.00 O ATOM 1236 CB GLU A 358 9.596 -3.837 3.584 1.00 0.00 C ATOM 1237 CG GLU A 358 9.129 -5.221 3.125 1.00 0.00 C ATOM 1238 CD GLU A 358 8.384 -5.206 1.787 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.282 -4.121 1.170 1.00 0.00 O ATOM 1240 OE2 GLU A 358 7.914 -6.293 1.385 1.00 0.00 O ATOM 0 H GLU A 358 7.349 -4.356 5.424 1.00 0.00 H new ATOM 0 HA GLU A 358 8.920 -2.035 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.946 -3.278 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.450 -3.957 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.995 -5.878 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.478 -5.647 3.889 1.00 0.00 H new ATOM 1247 N LEU A 359 7.421 -1.598 2.680 1.00 0.00 N ATOM 1248 CA LEU A 359 6.417 -1.148 1.732 1.00 0.00 C ATOM 1249 C LEU A 359 7.088 -0.403 0.576 1.00 0.00 C ATOM 1250 O LEU A 359 8.065 0.317 0.781 1.00 0.00 O ATOM 1251 CB LEU A 359 5.349 -0.314 2.457 1.00 0.00 C ATOM 1252 CG LEU A 359 5.757 1.047 3.053 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.089 1.036 3.798 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.795 2.154 2.001 1.00 0.00 C ATOM 0 H LEU A 359 8.230 -0.978 2.732 1.00 0.00 H new ATOM 0 HA LEU A 359 5.901 -2.002 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.534 -0.137 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.946 -0.923 3.267 1.00 0.00 H new ATOM 0 HG LEU A 359 4.972 1.253 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.298 2.034 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.037 0.330 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.885 0.737 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.088 3.093 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.517 1.895 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.807 2.265 1.554 1.00 0.00 H new ATOM 1266 N PHE A 360 6.571 -0.570 -0.643 1.00 0.00 N ATOM 1267 CA PHE A 360 7.234 -0.079 -1.844 1.00 0.00 C ATOM 1268 C PHE A 360 6.188 0.538 -2.778 1.00 0.00 C ATOM 1269 O PHE A 360 5.171 -0.090 -3.070 1.00 0.00 O ATOM 1270 CB PHE A 360 7.974 -1.264 -2.485 1.00 0.00 C ATOM 1271 CG PHE A 360 9.357 -0.964 -3.032 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.523 -0.017 -4.054 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.486 -1.633 -2.527 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.800 0.253 -4.568 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.752 -1.364 -3.037 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.918 -0.424 -4.062 1.00 0.00 C ATOM 0 H PHE A 360 5.687 -1.047 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 360 7.961 0.702 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.062 -2.057 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.360 -1.655 -3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.664 0.506 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.369 -2.361 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.922 0.983 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.612 -1.883 -2.640 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.901 -0.222 -4.460 1.00 0.00 H new ATOM 1286 N LEU A 361 6.445 1.768 -3.241 1.00 0.00 N ATOM 1287 CA LEU A 361 5.492 2.584 -3.992 1.00 0.00 C ATOM 1288 C LEU A 361 4.937 1.854 -5.222 1.00 0.00 C ATOM 1289 O LEU A 361 5.634 1.055 -5.847 1.00 0.00 O ATOM 1290 CB LEU A 361 6.182 3.905 -4.376 1.00 0.00 C ATOM 1291 CG LEU A 361 5.333 5.153 -4.087 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.129 6.408 -4.440 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.043 5.173 -4.899 1.00 0.00 C ATOM 0 H LEU A 361 7.343 2.231 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 361 4.627 2.790 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.124 3.984 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.427 3.881 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 361 5.080 5.128 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.525 7.292 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.039 6.443 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.392 6.386 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.477 6.073 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.282 5.166 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.446 4.294 -4.655 1.00 0.00 H new ATOM 1305 N ASN A 362 3.674 2.134 -5.567 1.00 0.00 N ATOM 1306 CA ASN A 362 2.980 1.543 -6.698 1.00 0.00 C ATOM 1307 C ASN A 362 1.996 2.555 -7.304 1.00 0.00 C ATOM 1308 O ASN A 362 0.850 2.229 -7.613 1.00 0.00 O ATOM 1309 CB ASN A 362 2.285 0.256 -6.243 1.00 0.00 C ATOM 1310 CG ASN A 362 1.767 -0.521 -7.438 1.00 0.00 C ATOM 1311 OD1 ASN A 362 0.573 -0.778 -7.562 1.00 0.00 O ATOM 1312 ND2 ASN A 362 2.677 -0.900 -8.327 1.00 0.00 N ATOM 0 H ASN A 362 3.099 2.797 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 362 3.690 1.283 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.983 -0.360 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.459 0.499 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 362 2.394 -1.427 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 362 3.659 -0.664 -8.184 1.00 0.00 H new ATOM 1319 N SER A 363 2.451 3.801 -7.476 1.00 0.00 N ATOM 1320 CA SER A 363 1.688 4.838 -8.155 1.00 0.00 C ATOM 1321 C SER A 363 2.549 6.074 -8.403 1.00 0.00 C ATOM 1322 O SER A 363 3.695 6.149 -7.964 1.00 0.00 O ATOM 1323 CB SER A 363 0.475 5.240 -7.318 1.00 0.00 C ATOM 1324 OG SER A 363 0.879 5.753 -6.066 1.00 0.00 O ATOM 0 H SER A 363 3.364 4.113 -7.144 1.00 0.00 H new ATOM 0 HA SER A 363 1.358 4.433 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.109 5.989 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 363 -0.173 4.376 -7.170 1.00 0.00 H new ATOM 0 HG SER A 363 0.957 5.019 -5.421 1.00 0.00 H new ATOM 1330 N THR A 364 1.986 7.050 -9.115 1.00 0.00 N ATOM 1331 CA THR A 364 2.604 8.352 -9.309 1.00 0.00 C ATOM 1332 C THR A 364 1.520 9.362 -9.678 1.00 0.00 C ATOM 1333 O THR A 364 0.381 8.984 -9.946 1.00 0.00 O ATOM 1334 CB THR A 364 3.718 8.281 -10.357 1.00 0.00 C ATOM 1335 OG1 THR A 364 4.335 9.541 -10.493 1.00 0.00 O ATOM 1336 CG2 THR A 364 3.166 7.854 -11.708 1.00 0.00 C ATOM 0 H THR A 364 1.081 6.954 -9.575 1.00 0.00 H new ATOM 0 HA THR A 364 3.079 8.679 -8.384 1.00 0.00 H new ATOM 0 HB THR A 364 4.448 7.544 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 364 5.047 9.486 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.977 7.811 -12.435 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.706 6.870 -11.619 1.00 0.00 H new ATOM 0 HG23 THR A 364 2.419 8.575 -12.040 1.00 0.00 H new ATOM 1344 N THR A 365 1.875 10.649 -9.689 1.00 0.00 N ATOM 1345 CA THR A 365 0.970 11.756 -9.981 1.00 0.00 C ATOM 1346 C THR A 365 0.469 11.740 -11.434 1.00 0.00 C ATOM 1347 O THR A 365 -0.158 12.697 -11.888 1.00 0.00 O ATOM 1348 CB THR A 365 1.694 13.063 -9.634 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.846 14.181 -9.785 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.926 13.236 -10.516 1.00 0.00 C ATOM 0 H THR A 365 2.827 10.955 -9.489 1.00 0.00 H new ATOM 0 HA THR A 365 0.071 11.658 -9.372 1.00 0.00 H new ATOM 0 HB THR A 365 1.998 13.002 -8.589 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.253 14.040 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.430 14.168 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.607 12.400 -10.358 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.623 13.264 -11.563 1.00 0.00 H new