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= 0.31 K(o=0.83,f=-3.2) USER MOD Set 1.2: A 363 SER OG : rot 80:sc= 0.517 USER MOD Set 2.1: A 301 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 303 ASN : amide:sc= -2.7! K(o=-2.7!,f=0.98) USER MOD Single : A 289 HIS : no HD1:sc= -2.58! X(o=-2.6!,f=-2.1) USER MOD Single : A 290 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 292 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-4.1!) USER MOD Single : A 293 MET CE :methyl 162:sc= -0.13 (180deg=-0.551) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.826 K(o=0.83,f=-0.58) USER MOD Single : A 310 SER OG : rot 21:sc= 1.18 USER MOD Single : A 313 ASN : amide:sc=-0.00692 X(o=-0.0069,f=-0.22) USER MOD Single : A 318 HIS : no HE2:sc= -0.0155 K(o=-0.016,f=-2.9!) USER MOD Single : A 337 THR OG1 : rot -13:sc= 1.06 USER MOD Single : A 345 MET CE :methyl -155:sc= -2.04 (180deg=-3.58!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 168:sc= 1.43 (180deg=1.11) USER MOD Single : A 351 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.5!) USER MOD Single : A 352 MET CE :methyl 171:sc= -0.511 (180deg=-0.618) USER MOD Single : A 353 GLN : amide:sc= 0.563 K(o=0.56,f=-0.024) USER MOD Single : A 354 HIS : no HE2:sc= -0.0279 K(o=-0.028,f=-2.6!) USER MOD Single : A 356 TYR OH : rot -51:sc= 0.2 USER MOD Single : A 362 ASN : amide:sc= 0.0496 X(o=0.05,f=-0.037) USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 365 THR OG1 : rot -21:sc= 0.214 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.506 5.447 -6.172 1.00 0.00 N ATOM 160 CA HIS A 289 -3.070 5.494 -5.953 1.00 0.00 C ATOM 161 C HIS A 289 -2.684 4.322 -5.063 1.00 0.00 C ATOM 162 O HIS A 289 -3.359 4.064 -4.069 1.00 0.00 O ATOM 163 CB HIS A 289 -2.738 6.847 -5.329 1.00 0.00 C ATOM 164 CG HIS A 289 -3.113 7.987 -6.238 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.257 8.732 -7.015 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.375 8.471 -6.448 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.993 9.647 -7.668 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.296 9.530 -7.356 1.00 0.00 N ATOM 0 HA HIS A 289 -2.502 5.402 -6.879 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.265 6.949 -4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.672 6.894 -5.108 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.279 8.098 -5.990 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.591 10.379 -8.353 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -5.067 10.097 -7.709 1.00 0.00 H new ATOM 176 N CYS A 290 -1.608 3.603 -5.402 1.00 0.00 N ATOM 177 CA CYS A 290 -1.294 2.369 -4.703 1.00 0.00 C ATOM 178 C CYS A 290 0.159 2.315 -4.249 1.00 0.00 C ATOM 179 O CYS A 290 1.008 3.083 -4.697 1.00 0.00 O ATOM 180 CB CYS A 290 -1.610 1.186 -5.621 1.00 0.00 C ATOM 181 SG CYS A 290 -3.346 1.253 -6.135 1.00 0.00 S ATOM 0 H CYS A 290 -0.955 3.855 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.905 2.322 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -0.961 1.210 -6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.411 0.248 -5.102 1.00 0.00 H new ATOM 0 HG CYS A 290 -3.607 0.247 -6.916 1.00 0.00 H new ATOM 187 N VAL A 291 0.417 1.375 -3.341 1.00 0.00 N ATOM 188 CA VAL A 291 1.724 1.067 -2.785 1.00 0.00 C ATOM 189 C VAL A 291 1.673 -0.413 -2.417 1.00 0.00 C ATOM 190 O VAL A 291 0.588 -0.954 -2.209 1.00 0.00 O ATOM 191 CB VAL A 291 1.979 1.948 -1.551 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.278 1.592 -0.832 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.074 3.426 -1.930 1.00 0.00 C ATOM 0 H VAL A 291 -0.319 0.782 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 291 2.536 1.263 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 291 1.130 1.765 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.407 2.245 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.237 0.555 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.118 1.721 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.255 4.020 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.895 3.569 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.140 3.743 -2.394 1.00 0.00 H new ATOM 203 N HIS A 292 2.821 -1.082 -2.329 1.00 0.00 N ATOM 204 CA HIS A 292 2.858 -2.497 -1.990 1.00 0.00 C ATOM 205 C HIS A 292 3.766 -2.686 -0.787 1.00 0.00 C ATOM 206 O HIS A 292 4.617 -1.839 -0.523 1.00 0.00 O ATOM 207 CB HIS A 292 3.348 -3.314 -3.188 1.00 0.00 C ATOM 208 CG HIS A 292 2.474 -3.197 -4.411 1.00 0.00 C ATOM 209 ND1 HIS A 292 1.226 -2.620 -4.483 1.00 0.00 N ATOM 210 CD2 HIS A 292 2.779 -3.649 -5.668 1.00 0.00 C ATOM 211 CE1 HIS A 292 0.797 -2.721 -5.752 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.710 -3.343 -6.518 1.00 0.00 N ATOM 0 H HIS A 292 3.737 -0.663 -2.489 1.00 0.00 H new ATOM 0 HA HIS A 292 1.857 -2.849 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.358 -2.994 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.410 -4.363 -2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.689 -4.155 -5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.153 -2.352 -6.109 1.00 0.00 H new ATOM 0 HE2 HIS A 292 1.638 -3.550 -7.514 1.00 0.00 H new ATOM 220 N MET A 293 3.595 -3.789 -0.057 1.00 0.00 N ATOM 221 CA MET A 293 4.361 -4.004 1.155 1.00 0.00 C ATOM 222 C MET A 293 4.666 -5.485 1.375 1.00 0.00 C ATOM 223 O MET A 293 3.963 -6.364 0.874 1.00 0.00 O ATOM 224 CB MET A 293 3.609 -3.360 2.327 1.00 0.00 C ATOM 225 CG MET A 293 2.381 -4.152 2.777 1.00 0.00 C ATOM 226 SD MET A 293 2.744 -5.534 3.892 1.00 0.00 S ATOM 227 CE MET A 293 3.285 -4.616 5.358 1.00 0.00 C ATOM 0 H MET A 293 2.939 -4.535 -0.286 1.00 0.00 H new ATOM 0 HA MET A 293 5.337 -3.526 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 293 4.291 -3.253 3.171 1.00 0.00 H new ATOM 0 HB3 MET A 293 3.298 -2.356 2.040 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.689 -3.473 3.274 1.00 0.00 H new ATOM 0 HG3 MET A 293 1.870 -4.538 1.895 1.00 0.00 H new ATOM 0 HE1 MET A 293 3.242 -5.267 6.231 1.00 0.00 H new ATOM 0 HE2 MET A 293 4.308 -4.270 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.630 -3.758 5.513 1.00 0.00 H new ATOM 237 N ARG A 294 5.735 -5.740 2.136 1.00 0.00 N ATOM 238 CA ARG A 294 6.262 -7.074 2.390 1.00 0.00 C ATOM 239 C ARG A 294 6.865 -7.138 3.787 1.00 0.00 C ATOM 240 O ARG A 294 7.075 -6.116 4.435 1.00 0.00 O ATOM 241 CB ARG A 294 7.341 -7.404 1.354 1.00 0.00 C ATOM 242 CG ARG A 294 6.720 -7.962 0.075 1.00 0.00 C ATOM 243 CD ARG A 294 7.820 -8.274 -0.942 1.00 0.00 C ATOM 244 NE ARG A 294 7.324 -9.139 -2.020 1.00 0.00 N ATOM 245 CZ ARG A 294 6.362 -8.810 -2.888 1.00 0.00 C ATOM 246 NH1 ARG A 294 5.788 -7.611 -2.857 1.00 0.00 N ATOM 247 NH2 ARG A 294 5.967 -9.693 -3.800 1.00 0.00 N ATOM 0 H ARG A 294 6.266 -5.004 2.601 1.00 0.00 H new ATOM 0 HA ARG A 294 5.450 -7.798 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.914 -6.506 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 294 8.040 -8.130 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 294 6.153 -8.865 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 294 6.018 -7.241 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 294 8.200 -7.344 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 294 8.656 -8.760 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 294 7.746 -10.063 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 294 6.080 -6.924 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 294 5.056 -7.379 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 294 6.398 -10.617 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.233 -9.446 -4.464 1.00 0.00 H new ATOM 261 N GLY A 295 7.142 -8.361 4.243 1.00 0.00 N ATOM 262 CA GLY A 295 7.683 -8.616 5.567 1.00 0.00 C ATOM 263 C GLY A 295 6.571 -8.898 6.567 1.00 0.00 C ATOM 264 O GLY A 295 6.839 -9.438 7.638 1.00 0.00 O ATOM 0 H GLY A 295 6.993 -9.207 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.365 -9.465 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 295 8.264 -7.755 5.898 1.00 0.00 H new ATOM 268 N LEU A 296 5.334 -8.534 6.211 1.00 0.00 N ATOM 269 CA LEU A 296 4.164 -8.697 7.058 1.00 0.00 C ATOM 270 C LEU A 296 4.210 -10.081 7.704 1.00 0.00 C ATOM 271 O LEU A 296 4.214 -11.081 6.986 1.00 0.00 O ATOM 272 CB LEU A 296 2.917 -8.492 6.190 1.00 0.00 C ATOM 273 CG LEU A 296 1.671 -8.103 6.993 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.521 -7.831 6.031 1.00 0.00 C ATOM 275 CD2 LEU A 296 1.222 -9.205 7.942 1.00 0.00 C ATOM 0 H LEU A 296 5.122 -8.111 5.308 1.00 0.00 H new ATOM 0 HA LEU A 296 4.140 -7.964 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.121 -7.716 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.713 -9.410 5.639 1.00 0.00 H new ATOM 0 HG LEU A 296 1.932 -7.222 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -0.369 -7.554 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.793 -7.016 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.315 -8.728 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 296 0.336 -8.878 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 296 0.986 -10.103 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 296 2.022 -9.424 8.649 1.00 0.00 H new ATOM 344 N ALA A 300 -0.164 -12.050 11.114 1.00 0.00 N ATOM 345 CA ALA A 300 -0.755 -10.725 11.285 1.00 0.00 C ATOM 346 C ALA A 300 -1.551 -10.323 10.038 1.00 0.00 C ATOM 347 O ALA A 300 -1.569 -11.060 9.052 1.00 0.00 O ATOM 348 CB ALA A 300 0.358 -9.722 11.585 1.00 0.00 C ATOM 0 HA ALA A 300 -1.454 -10.738 12.121 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -0.072 -8.729 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 300 0.876 -10.015 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.066 -9.705 10.756 1.00 0.00 H new ATOM 354 N THR A 301 -2.211 -9.158 10.077 1.00 0.00 N ATOM 355 CA THR A 301 -3.116 -8.735 9.010 1.00 0.00 C ATOM 356 C THR A 301 -3.163 -7.222 8.819 1.00 0.00 C ATOM 357 O THR A 301 -2.477 -6.449 9.490 1.00 0.00 O ATOM 358 CB THR A 301 -4.544 -9.228 9.295 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.778 -9.337 10.681 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.775 -10.582 8.636 1.00 0.00 C ATOM 0 H THR A 301 -2.131 -8.490 10.844 1.00 0.00 H new ATOM 0 HA THR A 301 -2.722 -9.177 8.095 1.00 0.00 H new ATOM 0 HB THR A 301 -5.237 -8.496 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 301 -5.694 -9.651 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.790 -10.920 8.845 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.638 -10.490 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.063 -11.306 9.032 1.00 0.00 H new ATOM 368 N GLU A 302 -4.006 -6.809 7.869 1.00 0.00 N ATOM 369 CA GLU A 302 -4.224 -5.418 7.512 1.00 0.00 C ATOM 370 C GLU A 302 -4.597 -4.557 8.712 1.00 0.00 C ATOM 371 O GLU A 302 -4.367 -3.350 8.695 1.00 0.00 O ATOM 372 CB GLU A 302 -5.315 -5.362 6.446 1.00 0.00 C ATOM 373 CG GLU A 302 -6.707 -5.557 7.045 1.00 0.00 C ATOM 374 CD GLU A 302 -7.741 -5.859 5.962 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.893 -7.055 5.629 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.372 -4.893 5.476 1.00 0.00 O ATOM 0 H GLU A 302 -4.568 -7.456 7.316 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.291 -5.008 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.272 -4.401 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.131 -6.132 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.684 -6.374 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.000 -4.659 7.590 1.00 0.00 H new ATOM 383 N ASN A 303 -5.168 -5.177 9.751 1.00 0.00 N ATOM 384 CA ASN A 303 -5.554 -4.490 10.973 1.00 0.00 C ATOM 385 C ASN A 303 -4.368 -3.814 11.662 1.00 0.00 C ATOM 386 O ASN A 303 -4.568 -3.068 12.619 1.00 0.00 O ATOM 387 CB ASN A 303 -6.257 -5.465 11.917 1.00 0.00 C ATOM 388 CG ASN A 303 -5.245 -6.310 12.670 1.00 0.00 C ATOM 389 OD1 ASN A 303 -5.397 -6.578 13.858 1.00 0.00 O ATOM 390 ND2 ASN A 303 -4.200 -6.733 11.970 1.00 0.00 N ATOM 0 H ASN A 303 -5.373 -6.176 9.760 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.247 -3.693 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.874 -4.912 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.926 -6.111 11.348 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -3.484 -7.304 12.418 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.113 -6.487 10.984 1.00 0.00 H new ATOM 397 N ASP A 304 -3.141 -4.063 11.193 1.00 0.00 N ATOM 398 CA ASP A 304 -1.978 -3.354 11.698 1.00 0.00 C ATOM 399 C ASP A 304 -1.168 -2.701 10.583 1.00 0.00 C ATOM 400 O ASP A 304 -0.332 -1.843 10.856 1.00 0.00 O ATOM 401 CB ASP A 304 -1.119 -4.296 12.540 1.00 0.00 C ATOM 402 CG ASP A 304 -0.277 -3.518 13.552 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.888 -2.790 14.366 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.966 -3.656 13.507 1.00 0.00 O ATOM 0 H ASP A 304 -2.936 -4.749 10.467 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.330 -2.541 12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.759 -5.006 13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.466 -4.877 11.889 1.00 0.00 H new ATOM 409 N ILE A 305 -1.402 -3.093 9.327 1.00 0.00 N ATOM 410 CA ILE A 305 -0.751 -2.431 8.205 1.00 0.00 C ATOM 411 C ILE A 305 -1.076 -0.940 8.217 1.00 0.00 C ATOM 412 O ILE A 305 -0.168 -0.110 8.224 1.00 0.00 O ATOM 413 CB ILE A 305 -1.255 -3.026 6.895 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.828 -4.488 6.762 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.733 -2.209 5.706 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.367 -5.030 5.440 1.00 0.00 C ATOM 0 H ILE A 305 -2.029 -3.855 9.069 1.00 0.00 H new ATOM 0 HA ILE A 305 0.326 -2.575 8.293 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.344 -2.988 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.259 -4.570 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.214 -5.073 7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.100 -2.644 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.085 -1.181 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.357 -2.221 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.072 -6.073 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.455 -4.958 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.960 -4.447 4.614 1.00 0.00 H new ATOM 428 N TYR A 306 -2.368 -0.590 8.219 1.00 0.00 N ATOM 429 CA TYR A 306 -2.769 0.810 8.182 1.00 0.00 C ATOM 430 C TYR A 306 -2.513 1.488 9.530 1.00 0.00 C ATOM 431 O TYR A 306 -2.885 2.644 9.720 1.00 0.00 O ATOM 432 CB TYR A 306 -4.221 0.962 7.702 1.00 0.00 C ATOM 433 CG TYR A 306 -5.292 0.415 8.624 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.725 1.179 9.717 1.00 0.00 C ATOM 435 CD2 TYR A 306 -5.863 -0.847 8.388 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.726 0.694 10.570 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.856 -1.344 9.242 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.295 -0.575 10.338 1.00 0.00 C ATOM 439 OH TYR A 306 -8.263 -1.055 11.168 1.00 0.00 O ATOM 0 H TYR A 306 -3.142 -1.254 8.246 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.149 1.327 7.449 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.418 2.021 7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.316 0.467 6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.284 2.147 9.903 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.535 -1.436 7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.061 1.292 11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.286 -2.318 9.060 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.545 -1.942 10.863 1.00 0.00 H new ATOM 449 N ASN A 307 -1.877 0.769 10.462 1.00 0.00 N ATOM 450 CA ASN A 307 -1.556 1.285 11.785 1.00 0.00 C ATOM 451 C ASN A 307 -0.049 1.301 12.062 1.00 0.00 C ATOM 452 O ASN A 307 0.361 1.647 13.168 1.00 0.00 O ATOM 453 CB ASN A 307 -2.306 0.459 12.825 1.00 0.00 C ATOM 454 CG ASN A 307 -3.798 0.728 12.785 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.235 1.867 12.650 1.00 0.00 O ATOM 456 ND2 ASN A 307 -4.594 -0.325 12.902 1.00 0.00 N ATOM 0 H ASN A 307 -1.571 -0.193 10.312 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.875 2.326 11.839 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.122 -0.601 12.649 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.921 0.689 13.819 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -5.607 -0.204 12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -4.194 -1.257 13.013 1.00 0.00 H new ATOM 463 N PHE A 308 0.776 0.934 11.076 1.00 0.00 N ATOM 464 CA PHE A 308 2.223 1.099 11.178 1.00 0.00 C ATOM 465 C PHE A 308 2.721 2.039 10.083 1.00 0.00 C ATOM 466 O PHE A 308 3.784 2.643 10.210 1.00 0.00 O ATOM 467 CB PHE A 308 2.918 -0.263 11.067 1.00 0.00 C ATOM 468 CG PHE A 308 3.751 -0.420 9.810 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.153 -0.834 8.610 1.00 0.00 C ATOM 470 CD2 PHE A 308 5.126 -0.144 9.843 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.923 -0.940 7.441 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.895 -0.254 8.676 1.00 0.00 C ATOM 473 CZ PHE A 308 5.292 -0.642 7.472 1.00 0.00 C ATOM 0 H PHE A 308 0.462 0.520 10.198 1.00 0.00 H new ATOM 0 HA PHE A 308 2.462 1.534 12.148 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.558 -0.406 11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.164 -1.049 11.093 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.100 -1.071 8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.593 0.154 10.770 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.460 -1.252 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.953 -0.040 8.705 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.881 -0.711 6.570 1.00 0.00 H new ATOM 483 N PHE A 309 1.942 2.159 9.005 1.00 0.00 N ATOM 484 CA PHE A 309 2.293 2.957 7.844 1.00 0.00 C ATOM 485 C PHE A 309 2.335 4.445 8.186 1.00 0.00 C ATOM 486 O PHE A 309 3.333 5.116 7.933 1.00 0.00 O ATOM 487 CB PHE A 309 1.220 2.714 6.781 1.00 0.00 C ATOM 488 CG PHE A 309 1.738 2.248 5.443 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.558 3.092 4.687 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.394 0.980 4.955 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.995 2.690 3.419 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.847 0.569 3.694 1.00 0.00 C ATOM 493 CZ PHE A 309 2.634 1.432 2.920 1.00 0.00 C ATOM 0 H PHE A 309 1.038 1.695 8.920 1.00 0.00 H new ATOM 0 HA PHE A 309 3.283 2.670 7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.517 1.972 7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.660 3.638 6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.854 4.053 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.780 0.320 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.610 3.350 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.590 -0.411 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.963 1.127 1.938 1.00 0.00 H new ATOM 503 N SER A 310 1.240 4.948 8.762 1.00 0.00 N ATOM 504 CA SER A 310 1.023 6.360 9.058 1.00 0.00 C ATOM 505 C SER A 310 -0.309 6.496 9.794 1.00 0.00 C ATOM 506 O SER A 310 -1.078 5.537 9.838 1.00 0.00 O ATOM 507 CB SER A 310 0.950 7.136 7.738 1.00 0.00 C ATOM 508 OG SER A 310 2.248 7.417 7.267 1.00 0.00 O ATOM 0 H SER A 310 0.455 4.360 9.043 1.00 0.00 H new ATOM 0 HA SER A 310 1.834 6.752 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.404 6.554 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.399 8.065 7.884 1.00 0.00 H new ATOM 0 HG SER A 310 2.886 6.794 7.674 1.00 0.00 H new ATOM 514 N PRO A 311 -0.606 7.669 10.375 1.00 0.00 N ATOM 515 CA PRO A 311 -1.886 7.935 11.012 1.00 0.00 C ATOM 516 C PRO A 311 -3.034 7.996 9.997 1.00 0.00 C ATOM 517 O PRO A 311 -4.189 8.151 10.389 1.00 0.00 O ATOM 518 CB PRO A 311 -1.705 9.268 11.739 1.00 0.00 C ATOM 519 CG PRO A 311 -0.632 9.974 10.915 1.00 0.00 C ATOM 520 CD PRO A 311 0.268 8.825 10.469 1.00 0.00 C ATOM 0 HA PRO A 311 -2.161 7.134 11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.632 9.840 11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.389 9.123 12.772 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.060 10.505 10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -0.086 10.708 11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.737 9.042 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.071 8.654 11.185 1.00 0.00 H new ATOM 528 N LEU A 312 -2.724 7.876 8.699 1.00 0.00 N ATOM 529 CA LEU A 312 -3.701 7.823 7.628 1.00 0.00 C ATOM 530 C LEU A 312 -4.782 6.779 7.874 1.00 0.00 C ATOM 531 O LEU A 312 -4.558 5.739 8.493 1.00 0.00 O ATOM 532 CB LEU A 312 -2.965 7.521 6.324 1.00 0.00 C ATOM 533 CG LEU A 312 -2.489 8.793 5.622 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.944 9.863 6.562 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.414 8.433 4.601 1.00 0.00 C ATOM 0 H LEU A 312 -1.761 7.812 8.368 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.208 8.787 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.108 6.881 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.624 6.965 5.657 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.370 9.223 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.629 10.730 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.722 10.160 7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.091 9.465 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.072 9.338 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -0.573 7.960 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.827 7.743 3.865 1.00 0.00 H new ATOM 547 N ASN A 313 -5.966 7.104 7.362 1.00 0.00 N ATOM 548 CA ASN A 313 -7.184 6.331 7.489 1.00 0.00 C ATOM 549 C ASN A 313 -7.061 4.962 6.812 1.00 0.00 C ATOM 550 O ASN A 313 -6.188 4.762 5.969 1.00 0.00 O ATOM 551 CB ASN A 313 -8.284 7.187 6.858 1.00 0.00 C ATOM 552 CG ASN A 313 -8.472 8.490 7.616 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.484 8.514 8.844 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.621 9.587 6.884 1.00 0.00 N ATOM 0 H ASN A 313 -6.102 7.958 6.821 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.408 6.110 8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.031 7.401 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.221 6.630 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.751 10.490 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.605 9.527 5.866 1.00 0.00 H new ATOM 561 N PRO A 314 -7.935 4.013 7.177 1.00 0.00 N ATOM 562 CA PRO A 314 -7.916 2.635 6.711 1.00 0.00 C ATOM 563 C PRO A 314 -8.572 2.478 5.340 1.00 0.00 C ATOM 564 O PRO A 314 -8.867 1.363 4.913 1.00 0.00 O ATOM 565 CB PRO A 314 -8.685 1.885 7.790 1.00 0.00 C ATOM 566 CG PRO A 314 -9.768 2.881 8.190 1.00 0.00 C ATOM 567 CD PRO A 314 -9.029 4.219 8.109 1.00 0.00 C ATOM 0 HA PRO A 314 -6.903 2.259 6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.111 0.956 7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.046 1.622 8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.622 2.847 7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.148 2.687 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.693 5.012 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.657 4.520 9.088 1.00 0.00 H new ATOM 575 N VAL A 315 -8.796 3.603 4.657 1.00 0.00 N ATOM 576 CA VAL A 315 -9.374 3.682 3.314 1.00 0.00 C ATOM 577 C VAL A 315 -8.567 2.925 2.258 1.00 0.00 C ATOM 578 O VAL A 315 -8.858 3.055 1.071 1.00 0.00 O ATOM 579 CB VAL A 315 -9.447 5.149 2.858 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.310 6.011 3.772 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.050 5.774 2.793 1.00 0.00 C ATOM 0 H VAL A 315 -8.570 4.521 5.040 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.361 3.225 3.393 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.903 5.126 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.324 7.035 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.326 5.618 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.898 5.997 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.130 6.811 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.589 5.738 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.435 5.218 2.085 1.00 0.00 H new ATOM 591 N ARG A 316 -7.559 2.141 2.654 1.00 0.00 N ATOM 592 CA ARG A 316 -6.518 1.740 1.721 1.00 0.00 C ATOM 593 C ARG A 316 -6.033 0.302 1.831 1.00 0.00 C ATOM 594 O ARG A 316 -5.360 -0.151 0.912 1.00 0.00 O ATOM 595 CB ARG A 316 -5.341 2.700 1.927 1.00 0.00 C ATOM 596 CG ARG A 316 -4.846 2.680 3.381 1.00 0.00 C ATOM 597 CD ARG A 316 -3.863 3.826 3.595 1.00 0.00 C ATOM 598 NE ARG A 316 -3.662 4.077 5.026 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.585 3.719 5.725 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.586 3.059 5.145 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.509 4.027 7.017 1.00 0.00 N ATOM 0 H ARG A 316 -7.448 1.779 3.601 1.00 0.00 H new ATOM 0 HA ARG A 316 -6.954 1.791 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.524 2.424 1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.644 3.712 1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.689 2.776 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.364 1.727 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -2.909 3.586 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.238 4.728 3.112 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.406 4.564 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.639 2.821 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.767 2.791 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.272 4.534 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.688 3.756 7.558 1.00 0.00 H new ATOM 615 N VAL A 317 -6.333 -0.438 2.897 1.00 0.00 N ATOM 616 CA VAL A 317 -5.750 -1.772 3.013 1.00 0.00 C ATOM 617 C VAL A 317 -6.324 -2.766 2.009 1.00 0.00 C ATOM 618 O VAL A 317 -7.474 -2.660 1.586 1.00 0.00 O ATOM 619 CB VAL A 317 -5.856 -2.339 4.423 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.573 -1.951 5.157 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.095 -1.861 5.179 1.00 0.00 C ATOM 0 H VAL A 317 -6.947 -0.154 3.660 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.695 -1.634 2.779 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.969 -3.422 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.605 -2.338 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.714 -2.373 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.484 -0.865 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.107 -2.303 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.072 -0.775 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.991 -2.164 4.637 1.00 0.00 H new ATOM 631 N HIS A 318 -5.483 -3.737 1.644 1.00 0.00 N ATOM 632 CA HIS A 318 -5.796 -4.827 0.742 1.00 0.00 C ATOM 633 C HIS A 318 -4.777 -5.946 0.952 1.00 0.00 C ATOM 634 O HIS A 318 -3.747 -5.733 1.591 1.00 0.00 O ATOM 635 CB HIS A 318 -5.693 -4.314 -0.688 1.00 0.00 C ATOM 636 CG HIS A 318 -6.187 -5.316 -1.691 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.466 -5.893 -2.708 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.454 -5.821 -1.748 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.291 -6.724 -3.371 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.520 -6.716 -2.822 1.00 0.00 N ATOM 0 H HIS A 318 -4.524 -3.779 1.990 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.801 -5.204 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.269 -3.394 -0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.655 -4.065 -0.908 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.483 -5.722 -2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.265 -5.573 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -6.006 -7.317 -4.227 1.00 0.00 H new ATOM 648 N ILE A 319 -5.051 -7.141 0.420 1.00 0.00 N ATOM 649 CA ILE A 319 -4.171 -8.288 0.597 1.00 0.00 C ATOM 650 C ILE A 319 -4.201 -9.166 -0.652 1.00 0.00 C ATOM 651 O ILE A 319 -5.179 -9.169 -1.399 1.00 0.00 O ATOM 652 CB ILE A 319 -4.602 -9.070 1.850 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.468 -8.153 3.074 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.749 -10.328 2.036 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.762 -8.876 4.382 1.00 0.00 C ATOM 0 H ILE A 319 -5.882 -7.334 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.144 -7.952 0.739 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.638 -9.388 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.458 -7.744 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.150 -7.310 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.076 -10.861 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.861 -10.975 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.702 -10.045 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.653 -8.181 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -5.781 -9.262 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.063 -9.703 4.506 1.00 0.00 H new ATOM 667 N GLU A 320 -3.116 -9.912 -0.872 1.00 0.00 N ATOM 668 CA GLU A 320 -2.952 -10.794 -2.014 1.00 0.00 C ATOM 669 C GLU A 320 -2.211 -12.051 -1.561 1.00 0.00 C ATOM 670 O GLU A 320 -1.053 -12.290 -1.901 1.00 0.00 O ATOM 671 CB GLU A 320 -2.217 -10.053 -3.123 1.00 0.00 C ATOM 672 CG GLU A 320 -2.192 -10.891 -4.398 1.00 0.00 C ATOM 673 CD GLU A 320 -1.635 -10.090 -5.572 1.00 0.00 C ATOM 674 OE1 GLU A 320 -2.438 -9.389 -6.226 1.00 0.00 O ATOM 675 OE2 GLU A 320 -0.409 -10.183 -5.808 1.00 0.00 O ATOM 0 H GLU A 320 -2.313 -9.915 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.918 -11.101 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.706 -9.099 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.198 -9.830 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.583 -11.781 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -3.200 -11.232 -4.632 1.00 0.00 H new ATOM 817 N ALA A 331 1.071 -8.234 0.295 1.00 0.00 N ATOM 818 CA ALA A 331 -0.026 -7.353 0.654 1.00 0.00 C ATOM 819 C ALA A 331 0.218 -5.985 0.031 1.00 0.00 C ATOM 820 O ALA A 331 1.342 -5.655 -0.347 1.00 0.00 O ATOM 821 CB ALA A 331 -0.137 -7.268 2.175 1.00 0.00 C ATOM 0 HA ALA A 331 -0.971 -7.742 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -0.961 -6.606 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.322 -8.262 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.793 -6.875 2.586 1.00 0.00 H new ATOM 827 N ASP A 332 -0.838 -5.182 -0.077 1.00 0.00 N ATOM 828 CA ASP A 332 -0.735 -3.887 -0.722 1.00 0.00 C ATOM 829 C ASP A 332 -1.767 -2.915 -0.168 1.00 0.00 C ATOM 830 O ASP A 332 -2.623 -3.289 0.632 1.00 0.00 O ATOM 831 CB ASP A 332 -0.911 -4.069 -2.231 1.00 0.00 C ATOM 832 CG ASP A 332 -2.320 -4.526 -2.608 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.601 -5.735 -2.463 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.106 -3.656 -3.043 1.00 0.00 O ATOM 0 H ASP A 332 -1.768 -5.409 0.274 1.00 0.00 H new ATOM 0 HA ASP A 332 0.248 -3.462 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.692 -3.128 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.187 -4.800 -2.592 1.00 0.00 H new ATOM 839 N VAL A 333 -1.680 -1.657 -0.603 1.00 0.00 N ATOM 840 CA VAL A 333 -2.599 -0.626 -0.158 1.00 0.00 C ATOM 841 C VAL A 333 -2.975 0.293 -1.319 1.00 0.00 C ATOM 842 O VAL A 333 -2.323 0.294 -2.363 1.00 0.00 O ATOM 843 CB VAL A 333 -1.995 0.163 1.012 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.702 -0.744 2.209 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.700 0.855 0.603 1.00 0.00 C ATOM 0 H VAL A 333 -0.976 -1.333 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.513 -1.100 0.199 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.736 0.910 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.275 -0.152 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.628 -1.209 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.994 -1.518 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.297 1.405 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.024 0.108 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.900 1.547 -0.215 1.00 0.00 H new ATOM 855 N GLU A 334 -4.037 1.077 -1.125 1.00 0.00 N ATOM 856 CA GLU A 334 -4.629 1.925 -2.147 1.00 0.00 C ATOM 857 C GLU A 334 -4.935 3.304 -1.562 1.00 0.00 C ATOM 858 O GLU A 334 -6.090 3.641 -1.313 1.00 0.00 O ATOM 859 CB GLU A 334 -5.899 1.267 -2.699 1.00 0.00 C ATOM 860 CG GLU A 334 -5.611 -0.114 -3.289 1.00 0.00 C ATOM 861 CD GLU A 334 -6.873 -0.713 -3.906 1.00 0.00 C ATOM 862 OE1 GLU A 334 -7.744 -1.160 -3.127 1.00 0.00 O ATOM 863 OE2 GLU A 334 -6.959 -0.722 -5.155 1.00 0.00 O ATOM 0 H GLU A 334 -4.518 1.137 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.925 2.050 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.637 1.175 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.336 1.906 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.832 -0.035 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.232 -0.776 -2.510 1.00 0.00 H new ATOM 870 N PHE A 335 -3.887 4.101 -1.341 1.00 0.00 N ATOM 871 CA PHE A 335 -4.002 5.427 -0.757 1.00 0.00 C ATOM 872 C PHE A 335 -4.943 6.335 -1.546 1.00 0.00 C ATOM 873 O PHE A 335 -5.108 6.199 -2.762 1.00 0.00 O ATOM 874 CB PHE A 335 -2.620 6.075 -0.688 1.00 0.00 C ATOM 875 CG PHE A 335 -1.723 5.482 0.373 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.903 5.840 1.716 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.714 4.576 0.018 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.074 5.291 2.704 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.116 4.032 1.006 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.067 4.386 2.348 1.00 0.00 C ATOM 0 H PHE A 335 -2.928 3.836 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.422 5.305 0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.134 5.977 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.738 7.142 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.680 6.538 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.577 4.298 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.212 5.566 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.898 3.339 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.570 3.960 3.110 1.00 0.00 H new ATOM 890 N ALA A 336 -5.557 7.271 -0.819 1.00 0.00 N ATOM 891 CA ALA A 336 -6.361 8.323 -1.405 1.00 0.00 C ATOM 892 C ALA A 336 -5.414 9.420 -1.894 1.00 0.00 C ATOM 893 O ALA A 336 -4.787 10.115 -1.093 1.00 0.00 O ATOM 894 CB ALA A 336 -7.353 8.846 -0.360 1.00 0.00 C ATOM 0 H ALA A 336 -5.504 7.313 0.199 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.943 7.957 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.960 9.638 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.000 8.032 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.806 9.240 0.496 1.00 0.00 H new ATOM 900 N THR A 337 -5.323 9.556 -3.221 1.00 0.00 N ATOM 901 CA THR A 337 -4.460 10.501 -3.925 1.00 0.00 C ATOM 902 C THR A 337 -2.982 10.207 -3.690 1.00 0.00 C ATOM 903 O THR A 337 -2.606 9.512 -2.746 1.00 0.00 O ATOM 904 CB THR A 337 -4.792 11.963 -3.601 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.377 12.309 -2.302 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.285 12.249 -3.747 1.00 0.00 C ATOM 0 H THR A 337 -5.875 8.983 -3.859 1.00 0.00 H new ATOM 0 HA THR A 337 -4.663 10.359 -4.987 1.00 0.00 H new ATOM 0 HB THR A 337 -4.246 12.571 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.146 11.496 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.480 13.295 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.596 12.046 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.846 11.611 -3.064 1.00 0.00 H new ATOM 914 N HIS A 338 -2.130 10.746 -4.564 1.00 0.00 N ATOM 915 CA HIS A 338 -0.695 10.583 -4.418 1.00 0.00 C ATOM 916 C HIS A 338 -0.201 11.340 -3.184 1.00 0.00 C ATOM 917 O HIS A 338 0.903 11.095 -2.707 1.00 0.00 O ATOM 918 CB HIS A 338 0.001 11.086 -5.682 1.00 0.00 C ATOM 919 CG HIS A 338 1.481 10.821 -5.681 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.097 9.589 -5.692 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.467 11.769 -5.670 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.426 9.797 -5.691 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.705 11.113 -5.691 1.00 0.00 N ATOM 0 H HIS A 338 -2.414 11.296 -5.375 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.458 9.528 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.448 10.608 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.171 12.158 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.317 12.838 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.169 9.013 -5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.629 11.545 -5.704 1.00 0.00 H new ATOM 931 N GLU A 339 -1.017 12.260 -2.662 1.00 0.00 N ATOM 932 CA GLU A 339 -0.652 13.069 -1.511 1.00 0.00 C ATOM 933 C GLU A 339 -0.615 12.234 -0.238 1.00 0.00 C ATOM 934 O GLU A 339 0.289 12.411 0.576 1.00 0.00 O ATOM 935 CB GLU A 339 -1.649 14.215 -1.371 1.00 0.00 C ATOM 936 CG GLU A 339 -1.460 15.161 -2.556 1.00 0.00 C ATOM 937 CD GLU A 339 -2.434 16.336 -2.488 1.00 0.00 C ATOM 938 OE1 GLU A 339 -2.182 17.248 -1.669 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.421 16.316 -3.256 1.00 0.00 O ATOM 0 H GLU A 339 -1.947 12.460 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 339 0.349 13.471 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.669 13.831 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.489 14.745 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.436 15.535 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.610 14.615 -3.488 1.00 0.00 H new ATOM 946 N GLU A 340 -1.576 11.325 -0.044 1.00 0.00 N ATOM 947 CA GLU A 340 -1.470 10.413 1.087 1.00 0.00 C ATOM 948 C GLU A 340 -0.378 9.379 0.817 1.00 0.00 C ATOM 949 O GLU A 340 0.237 8.875 1.756 1.00 0.00 O ATOM 950 CB GLU A 340 -2.796 9.703 1.359 1.00 0.00 C ATOM 951 CG GLU A 340 -3.823 10.689 1.915 1.00 0.00 C ATOM 952 CD GLU A 340 -5.097 9.983 2.383 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.107 8.732 2.399 1.00 0.00 O ATOM 954 OE2 GLU A 340 -6.060 10.709 2.724 1.00 0.00 O ATOM 0 H GLU A 340 -2.402 11.206 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.213 10.999 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.172 9.256 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.642 8.890 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.385 11.238 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -4.075 11.422 1.148 1.00 0.00 H new ATOM 961 N ALA A 341 -0.127 9.056 -0.457 1.00 0.00 N ATOM 962 CA ALA A 341 0.889 8.071 -0.787 1.00 0.00 C ATOM 963 C ALA A 341 2.283 8.573 -0.398 1.00 0.00 C ATOM 964 O ALA A 341 3.075 7.815 0.163 1.00 0.00 O ATOM 965 CB ALA A 341 0.818 7.740 -2.278 1.00 0.00 C ATOM 0 H ALA A 341 -0.609 9.460 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 341 0.700 7.161 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.581 7.001 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.167 7.337 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.989 8.645 -2.860 1.00 0.00 H new ATOM 971 N VAL A 342 2.601 9.843 -0.684 1.00 0.00 N ATOM 972 CA VAL A 342 3.885 10.412 -0.282 1.00 0.00 C ATOM 973 C VAL A 342 3.899 10.740 1.207 1.00 0.00 C ATOM 974 O VAL A 342 4.967 10.777 1.813 1.00 0.00 O ATOM 975 CB VAL A 342 4.227 11.667 -1.092 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.278 11.331 -2.581 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.220 12.790 -0.856 1.00 0.00 C ATOM 0 H VAL A 342 1.990 10.487 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 342 4.643 9.656 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 342 5.204 12.016 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.522 12.229 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.041 10.572 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.308 10.951 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.500 13.660 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.226 12.455 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.214 13.058 0.201 1.00 0.00 H new ATOM 987 N ALA A 343 2.727 10.978 1.806 1.00 0.00 N ATOM 988 CA ALA A 343 2.634 11.202 3.242 1.00 0.00 C ATOM 989 C ALA A 343 2.867 9.890 3.993 1.00 0.00 C ATOM 990 O ALA A 343 3.005 9.890 5.216 1.00 0.00 O ATOM 991 CB ALA A 343 1.265 11.783 3.586 1.00 0.00 C ATOM 0 H ALA A 343 1.834 11.019 1.314 1.00 0.00 H new ATOM 0 HA ALA A 343 3.402 11.914 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.200 11.949 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.130 12.730 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.486 11.085 3.279 1.00 0.00 H new ATOM 997 N ALA A 344 2.911 8.777 3.253 1.00 0.00 N ATOM 998 CA ALA A 344 3.185 7.458 3.796 1.00 0.00 C ATOM 999 C ALA A 344 4.537 6.933 3.302 1.00 0.00 C ATOM 1000 O ALA A 344 5.007 5.900 3.776 1.00 0.00 O ATOM 1001 CB ALA A 344 2.046 6.531 3.383 1.00 0.00 C ATOM 0 H ALA A 344 2.754 8.776 2.245 1.00 0.00 H new ATOM 0 HA ALA A 344 3.244 7.505 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.228 5.532 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 344 1.105 6.912 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.990 6.485 2.295 1.00 0.00 H new ATOM 1007 N MET A 345 5.163 7.640 2.355 1.00 0.00 N ATOM 1008 CA MET A 345 6.495 7.324 1.853 1.00 0.00 C ATOM 1009 C MET A 345 7.559 7.818 2.842 1.00 0.00 C ATOM 1010 O MET A 345 8.493 8.525 2.467 1.00 0.00 O ATOM 1011 CB MET A 345 6.671 7.942 0.461 1.00 0.00 C ATOM 1012 CG MET A 345 7.935 7.463 -0.262 1.00 0.00 C ATOM 1013 SD MET A 345 7.803 5.910 -1.195 1.00 0.00 S ATOM 1014 CE MET A 345 7.644 4.685 0.127 1.00 0.00 C ATOM 0 H MET A 345 4.748 8.460 1.912 1.00 0.00 H new ATOM 0 HA MET A 345 6.616 6.245 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.800 7.701 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.704 9.027 0.555 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.251 8.247 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.727 7.349 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.992 3.716 -0.231 1.00 0.00 H new ATOM 0 HE2 MET A 345 8.245 4.993 0.983 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.599 4.607 0.427 1.00 0.00 H new ATOM 1024 N SER A 346 7.410 7.438 4.115 1.00 0.00 N ATOM 1025 CA SER A 346 8.298 7.855 5.193 1.00 0.00 C ATOM 1026 C SER A 346 8.622 6.671 6.102 1.00 0.00 C ATOM 1027 O SER A 346 8.964 6.857 7.270 1.00 0.00 O ATOM 1028 CB SER A 346 7.641 8.985 5.989 1.00 0.00 C ATOM 1029 OG SER A 346 7.349 10.076 5.140 1.00 0.00 O ATOM 0 H SER A 346 6.657 6.823 4.425 1.00 0.00 H new ATOM 0 HA SER A 346 9.233 8.220 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.725 8.624 6.458 1.00 0.00 H new ATOM 0 HB3 SER A 346 8.304 9.307 6.792 1.00 0.00 H new ATOM 0 HG SER A 346 6.928 10.792 5.660 1.00 0.00 H new ATOM 1035 N LYS A 347 8.511 5.453 5.562 1.00 0.00 N ATOM 1036 CA LYS A 347 8.695 4.214 6.308 1.00 0.00 C ATOM 1037 C LYS A 347 9.514 3.204 5.506 1.00 0.00 C ATOM 1038 O LYS A 347 9.380 2.003 5.726 1.00 0.00 O ATOM 1039 CB LYS A 347 7.327 3.633 6.682 1.00 0.00 C ATOM 1040 CG LYS A 347 6.593 4.484 7.720 1.00 0.00 C ATOM 1041 CD LYS A 347 7.276 4.405 9.088 1.00 0.00 C ATOM 1042 CE LYS A 347 6.612 5.362 10.078 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.168 5.093 10.214 1.00 0.00 N ATOM 0 H LYS A 347 8.287 5.303 4.578 1.00 0.00 H new ATOM 0 HA LYS A 347 9.250 4.433 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.713 3.551 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.459 2.624 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.561 5.521 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.561 4.145 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.223 3.385 9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.333 4.653 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 347 7.093 5.269 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.761 6.390 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 4.793 5.616 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 4.675 5.400 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 5.017 4.074 10.356 1.00 0.00 H new ATOM 1057 N ASP A 348 10.355 3.684 4.585 1.00 0.00 N ATOM 1058 CA ASP A 348 11.237 2.848 3.776 1.00 0.00 C ATOM 1059 C ASP A 348 11.858 1.737 4.615 1.00 0.00 C ATOM 1060 O ASP A 348 12.743 1.982 5.435 1.00 0.00 O ATOM 1061 CB ASP A 348 12.307 3.725 3.122 1.00 0.00 C ATOM 1062 CG ASP A 348 11.678 4.775 2.210 1.00 0.00 C ATOM 1063 OD1 ASP A 348 11.179 5.785 2.756 1.00 0.00 O ATOM 1064 OD2 ASP A 348 11.701 4.559 0.979 1.00 0.00 O ATOM 0 H ASP A 348 10.441 4.679 4.380 1.00 0.00 H new ATOM 0 HA ASP A 348 10.655 2.365 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.899 4.217 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.990 3.101 2.546 1.00 0.00 H new ATOM 1069 N ARG A 349 11.369 0.511 4.387 1.00 0.00 N ATOM 1070 CA ARG A 349 11.750 -0.702 5.097 1.00 0.00 C ATOM 1071 C ARG A 349 11.954 -0.499 6.606 1.00 0.00 C ATOM 1072 O ARG A 349 12.844 -1.094 7.211 1.00 0.00 O ATOM 1073 CB ARG A 349 12.884 -1.404 4.363 1.00 0.00 C ATOM 1074 CG ARG A 349 14.218 -0.680 4.427 1.00 0.00 C ATOM 1075 CD ARG A 349 15.122 -1.480 3.505 1.00 0.00 C ATOM 1076 NE ARG A 349 16.541 -1.232 3.792 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.275 -0.248 3.262 1.00 0.00 C ATOM 1078 NH1 ARG A 349 16.756 0.593 2.374 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.547 -0.103 3.625 1.00 0.00 N ATOM 0 H ARG A 349 10.666 0.337 3.669 1.00 0.00 H new ATOM 0 HA ARG A 349 10.906 -1.392 5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.007 -2.403 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.602 -1.528 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.126 0.354 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.609 -0.655 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.908 -2.543 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.909 -1.219 2.468 1.00 0.00 H new ATOM 0 HE ARG A 349 17.004 -1.861 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 349 15.783 0.494 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 349 17.331 1.338 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.959 -0.741 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.110 0.646 3.223 1.00 0.00 H new ATOM 1093 N ALA A 350 11.112 0.354 7.200 1.00 0.00 N ATOM 1094 CA ALA A 350 11.119 0.708 8.613 1.00 0.00 C ATOM 1095 C ALA A 350 10.726 -0.458 9.527 1.00 0.00 C ATOM 1096 O ALA A 350 10.416 -1.557 9.072 1.00 0.00 O ATOM 1097 CB ALA A 350 10.144 1.870 8.812 1.00 0.00 C ATOM 0 H ALA A 350 10.377 0.834 6.681 1.00 0.00 H new ATOM 0 HA ALA A 350 12.137 0.985 8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.129 2.156 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.463 2.720 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.144 1.563 8.505 1.00 0.00 H new ATOM 1103 N ASN A 351 10.742 -0.204 10.839 1.00 0.00 N ATOM 1104 CA ASN A 351 10.348 -1.177 11.847 1.00 0.00 C ATOM 1105 C ASN A 351 8.821 -1.248 11.968 1.00 0.00 C ATOM 1106 O ASN A 351 8.105 -0.420 11.405 1.00 0.00 O ATOM 1107 CB ASN A 351 10.986 -0.762 13.178 1.00 0.00 C ATOM 1108 CG ASN A 351 10.813 -1.815 14.266 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.844 -3.013 13.996 1.00 0.00 O ATOM 1110 ND2 ASN A 351 10.630 -1.373 15.507 1.00 0.00 N ATOM 0 H ASN A 351 11.032 0.693 11.229 1.00 0.00 H new ATOM 0 HA ASN A 351 10.692 -2.172 11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 351 12.049 -0.575 13.024 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.543 0.176 13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.510 -2.037 16.272 1.00 0.00 H new ATOM 0 HD22 ASN A 351 10.610 -0.370 15.694 1.00 0.00 H new ATOM 1117 N MET A 352 8.326 -2.245 12.707 1.00 0.00 N ATOM 1118 CA MET A 352 6.907 -2.464 12.965 1.00 0.00 C ATOM 1119 C MET A 352 6.768 -3.088 14.358 1.00 0.00 C ATOM 1120 O MET A 352 7.732 -3.088 15.120 1.00 0.00 O ATOM 1121 CB MET A 352 6.333 -3.336 11.841 1.00 0.00 C ATOM 1122 CG MET A 352 4.810 -3.509 11.887 1.00 0.00 C ATOM 1123 SD MET A 352 4.052 -3.878 10.284 1.00 0.00 S ATOM 1124 CE MET A 352 2.323 -4.044 10.795 1.00 0.00 C ATOM 0 H MET A 352 8.923 -2.941 13.154 1.00 0.00 H new ATOM 0 HA MET A 352 6.336 -1.536 12.966 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.608 -2.898 10.882 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.800 -4.320 11.887 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.568 -4.312 12.583 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.365 -2.597 12.285 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.688 -4.114 9.912 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.207 -4.944 11.398 1.00 0.00 H new ATOM 0 HE3 MET A 352 2.032 -3.173 11.383 1.00 0.00 H new ATOM 1134 N GLN A 353 5.587 -3.617 14.697 1.00 0.00 N ATOM 1135 CA GLN A 353 5.297 -4.192 16.007 1.00 0.00 C ATOM 1136 C GLN A 353 6.421 -5.049 16.585 1.00 0.00 C ATOM 1137 O GLN A 353 6.595 -5.066 17.804 1.00 0.00 O ATOM 1138 CB GLN A 353 4.012 -5.009 15.944 1.00 0.00 C ATOM 1139 CG GLN A 353 4.133 -6.224 15.024 1.00 0.00 C ATOM 1140 CD GLN A 353 2.777 -6.890 14.879 1.00 0.00 C ATOM 1141 OE1 GLN A 353 2.615 -8.073 15.164 1.00 0.00 O ATOM 1142 NE2 GLN A 353 1.787 -6.125 14.430 1.00 0.00 N ATOM 0 H GLN A 353 4.795 -3.656 14.055 1.00 0.00 H new ATOM 0 HA GLN A 353 5.187 -3.344 16.683 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.748 -5.343 16.948 1.00 0.00 H new ATOM 0 HB3 GLN A 353 3.198 -4.373 15.595 1.00 0.00 H new ATOM 0 HG2 GLN A 353 4.505 -5.917 14.047 1.00 0.00 H new ATOM 0 HG3 GLN A 353 4.855 -6.931 15.432 1.00 0.00 H new ATOM 0 HE21 GLN A 353 1.961 -5.146 14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 353 0.853 -6.517 14.312 1.00 0.00 H new ATOM 1151 N HIS A 354 7.185 -5.760 15.746 1.00 0.00 N ATOM 1152 CA HIS A 354 8.209 -6.647 16.276 1.00 0.00 C ATOM 1153 C HIS A 354 9.298 -7.037 15.270 1.00 0.00 C ATOM 1154 O HIS A 354 10.187 -7.811 15.626 1.00 0.00 O ATOM 1155 CB HIS A 354 7.514 -7.889 16.850 1.00 0.00 C ATOM 1156 CG HIS A 354 7.223 -8.984 15.854 1.00 0.00 C ATOM 1157 ND1 HIS A 354 7.442 -10.328 16.054 1.00 0.00 N ATOM 1158 CD2 HIS A 354 6.695 -8.845 14.599 1.00 0.00 C ATOM 1159 CE1 HIS A 354 7.052 -10.979 14.944 1.00 0.00 C ATOM 1160 NE2 HIS A 354 6.592 -10.117 14.022 1.00 0.00 N ATOM 0 H HIS A 354 7.113 -5.736 14.729 1.00 0.00 H new ATOM 0 HA HIS A 354 8.745 -6.102 17.053 1.00 0.00 H new ATOM 0 HB2 HIS A 354 8.138 -8.299 17.644 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.575 -7.580 17.310 1.00 0.00 H new ATOM 0 HD1 HIS A 354 7.831 -10.754 16.895 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.407 -7.914 14.133 1.00 0.00 H new ATOM 0 HE1 HIS A 354 7.102 -12.050 14.812 1.00 0.00 H new ATOM 1168 N ARG A 355 9.258 -6.529 14.030 1.00 0.00 N ATOM 1169 CA ARG A 355 10.269 -6.889 13.038 1.00 0.00 C ATOM 1170 C ARG A 355 10.407 -5.875 11.903 1.00 0.00 C ATOM 1171 O ARG A 355 9.679 -4.888 11.821 1.00 0.00 O ATOM 1172 CB ARG A 355 9.945 -8.261 12.432 1.00 0.00 C ATOM 1173 CG ARG A 355 8.647 -8.232 11.622 1.00 0.00 C ATOM 1174 CD ARG A 355 8.503 -9.520 10.814 1.00 0.00 C ATOM 1175 NE ARG A 355 8.473 -10.703 11.681 1.00 0.00 N ATOM 1176 CZ ARG A 355 9.340 -11.719 11.607 1.00 0.00 C ATOM 1177 NH1 ARG A 355 10.348 -11.703 10.737 1.00 0.00 N ATOM 1178 NH2 ARG A 355 9.199 -12.768 12.411 1.00 0.00 N ATOM 0 H ARG A 355 8.546 -5.878 13.698 1.00 0.00 H new ATOM 0 HA ARG A 355 11.218 -6.907 13.574 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.767 -8.578 11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.860 -9.000 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 355 7.794 -8.116 12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.646 -7.372 10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 355 7.588 -9.479 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 355 9.333 -9.604 10.112 1.00 0.00 H new ATOM 0 HE ARG A 355 7.741 -10.754 12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 355 10.469 -10.906 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 355 10.999 -12.487 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 355 8.431 -12.797 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 355 9.858 -13.544 12.357 1.00 0.00 H new ATOM 1192 N TYR A 356 11.376 -6.169 11.034 1.00 0.00 N ATOM 1193 CA TYR A 356 11.665 -5.507 9.772 1.00 0.00 C ATOM 1194 C TYR A 356 10.446 -5.661 8.859 1.00 0.00 C ATOM 1195 O TYR A 356 9.964 -6.774 8.664 1.00 0.00 O ATOM 1196 CB TYR A 356 12.911 -6.245 9.255 1.00 0.00 C ATOM 1197 CG TYR A 356 13.458 -6.002 7.862 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.606 -4.713 7.323 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.845 -7.122 7.104 1.00 0.00 C ATOM 1200 CE1 TYR A 356 14.194 -4.551 6.062 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.396 -6.966 5.828 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.594 -5.674 5.309 1.00 0.00 C ATOM 1203 OH TYR A 356 15.172 -5.511 4.085 1.00 0.00 O ATOM 0 H TYR A 356 12.025 -6.935 11.213 1.00 0.00 H new ATOM 0 HA TYR A 356 11.856 -4.436 9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.719 -6.029 9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 356 12.701 -7.312 9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.268 -3.851 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 356 13.715 -8.114 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 356 14.342 -3.558 5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.668 -7.833 5.244 1.00 0.00 H new ATOM 0 HH TYR A 356 14.614 -4.921 3.536 1.00 0.00 H new ATOM 1213 N ILE A 357 9.943 -4.558 8.298 1.00 0.00 N ATOM 1214 CA ILE A 357 8.792 -4.559 7.396 1.00 0.00 C ATOM 1215 C ILE A 357 9.035 -3.489 6.341 1.00 0.00 C ATOM 1216 O ILE A 357 9.763 -2.535 6.599 1.00 0.00 O ATOM 1217 CB ILE A 357 7.498 -4.262 8.169 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.222 -5.297 9.266 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.309 -4.238 7.205 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.863 -6.676 8.720 1.00 0.00 C ATOM 0 H ILE A 357 10.330 -3.628 8.461 1.00 0.00 H new ATOM 0 HA ILE A 357 8.678 -5.538 6.930 1.00 0.00 H new ATOM 0 HB ILE A 357 7.628 -3.290 8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.102 -5.384 9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.407 -4.940 9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.395 -4.027 7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.465 -3.463 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.219 -5.207 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.680 -7.359 9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.965 -6.602 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.687 -7.053 8.114 1.00 0.00 H new ATOM 1232 N GLU A 358 8.441 -3.621 5.151 1.00 0.00 N ATOM 1233 CA GLU A 358 8.795 -2.729 4.060 1.00 0.00 C ATOM 1234 C GLU A 358 7.615 -2.401 3.158 1.00 0.00 C ATOM 1235 O GLU A 358 6.635 -3.141 3.114 1.00 0.00 O ATOM 1236 CB GLU A 358 9.896 -3.385 3.219 1.00 0.00 C ATOM 1237 CG GLU A 358 10.908 -4.145 4.074 1.00 0.00 C ATOM 1238 CD GLU A 358 12.020 -4.736 3.218 1.00 0.00 C ATOM 1239 OE1 GLU A 358 12.876 -3.951 2.758 1.00 0.00 O ATOM 1240 OE2 GLU A 358 11.998 -5.971 3.031 1.00 0.00 O ATOM 0 H GLU A 358 7.732 -4.320 4.928 1.00 0.00 H new ATOM 0 HA GLU A 358 9.136 -1.793 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.443 -4.070 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.414 -2.619 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 358 11.336 -3.473 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 358 10.402 -4.942 4.618 1.00 0.00 H new ATOM 1247 N LEU A 359 7.727 -1.279 2.441 1.00 0.00 N ATOM 1248 CA LEU A 359 6.723 -0.833 1.489 1.00 0.00 C ATOM 1249 C LEU A 359 7.382 -0.054 0.349 1.00 0.00 C ATOM 1250 O LEU A 359 8.387 0.624 0.552 1.00 0.00 O ATOM 1251 CB LEU A 359 5.614 -0.060 2.214 1.00 0.00 C ATOM 1252 CG LEU A 359 5.980 1.279 2.878 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.290 1.257 3.661 1.00 0.00 C ATOM 1254 CD2 LEU A 359 6.038 2.421 1.868 1.00 0.00 C ATOM 0 H LEU A 359 8.529 -0.653 2.511 1.00 0.00 H new ATOM 0 HA LEU A 359 6.239 -1.692 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.816 0.131 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.201 -0.712 2.984 1.00 0.00 H new ATOM 0 HG LEU A 359 5.172 1.446 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.471 2.240 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.226 0.515 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.110 1.000 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.300 3.347 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.791 2.200 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 359 5.065 2.533 1.390 1.00 0.00 H new ATOM 1266 N PHE A 360 6.809 -0.157 -0.854 1.00 0.00 N ATOM 1267 CA PHE A 360 7.429 0.315 -2.085 1.00 0.00 C ATOM 1268 C PHE A 360 6.370 1.035 -2.929 1.00 0.00 C ATOM 1269 O PHE A 360 5.291 0.492 -3.164 1.00 0.00 O ATOM 1270 CB PHE A 360 8.006 -0.918 -2.806 1.00 0.00 C ATOM 1271 CG PHE A 360 9.430 -0.801 -3.320 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.797 0.285 -4.131 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.395 -1.777 -3.000 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.101 0.382 -4.637 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.688 -1.688 -3.519 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.044 -0.607 -4.336 1.00 0.00 C ATOM 0 H PHE A 360 5.890 -0.576 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 360 8.234 1.026 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.959 -1.765 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.358 -1.154 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.071 1.049 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.133 -2.598 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.378 1.220 -5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.415 -2.453 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.046 -0.537 -4.733 1.00 0.00 H new ATOM 1286 N LEU A 361 6.676 2.257 -3.383 1.00 0.00 N ATOM 1287 CA LEU A 361 5.724 3.134 -4.066 1.00 0.00 C ATOM 1288 C LEU A 361 5.212 2.524 -5.379 1.00 0.00 C ATOM 1289 O LEU A 361 5.968 1.869 -6.097 1.00 0.00 O ATOM 1290 CB LEU A 361 6.408 4.489 -4.318 1.00 0.00 C ATOM 1291 CG LEU A 361 5.515 5.707 -4.037 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.289 6.990 -4.325 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.255 5.725 -4.899 1.00 0.00 C ATOM 0 H LEU A 361 7.605 2.667 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 361 4.848 3.267 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.300 4.555 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.741 4.528 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 361 5.220 5.640 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.652 7.852 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.171 7.034 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.597 7.002 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.662 6.607 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.535 5.752 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.667 4.828 -4.703 1.00 0.00 H new ATOM 1305 N ASN A 362 3.927 2.746 -5.684 1.00 0.00 N ATOM 1306 CA ASN A 362 3.258 2.266 -6.892 1.00 0.00 C ATOM 1307 C ASN A 362 2.150 3.249 -7.305 1.00 0.00 C ATOM 1308 O ASN A 362 1.022 2.852 -7.606 1.00 0.00 O ATOM 1309 CB ASN A 362 2.711 0.852 -6.669 1.00 0.00 C ATOM 1310 CG ASN A 362 3.811 -0.196 -6.763 1.00 0.00 C ATOM 1311 OD1 ASN A 362 4.214 -0.579 -7.858 1.00 0.00 O ATOM 1312 ND2 ASN A 362 4.306 -0.670 -5.624 1.00 0.00 N ATOM 0 H ASN A 362 3.308 3.282 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 362 3.978 2.214 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.236 0.795 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.940 0.639 -7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 362 5.044 -1.374 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 362 3.948 -0.330 -4.732 1.00 0.00 H new ATOM 1319 N SER A 363 2.468 4.549 -7.317 1.00 0.00 N ATOM 1320 CA SER A 363 1.534 5.579 -7.755 1.00 0.00 C ATOM 1321 C SER A 363 2.269 6.842 -8.191 1.00 0.00 C ATOM 1322 O SER A 363 3.481 6.963 -8.016 1.00 0.00 O ATOM 1323 CB SER A 363 0.576 5.924 -6.616 1.00 0.00 C ATOM 1324 OG SER A 363 1.245 6.647 -5.606 1.00 0.00 O ATOM 0 H SER A 363 3.376 4.909 -7.024 1.00 0.00 H new ATOM 0 HA SER A 363 0.978 5.189 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.258 6.512 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.155 5.010 -6.198 1.00 0.00 H new ATOM 0 HG SER A 363 1.321 7.587 -5.872 1.00 0.00 H new ATOM 1330 N THR A 364 1.522 7.789 -8.765 1.00 0.00 N ATOM 1331 CA THR A 364 2.042 9.099 -9.124 1.00 0.00 C ATOM 1332 C THR A 364 0.900 10.112 -9.164 1.00 0.00 C ATOM 1333 O THR A 364 -0.272 9.739 -9.212 1.00 0.00 O ATOM 1334 CB THR A 364 2.778 9.041 -10.464 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.427 10.271 -10.696 1.00 0.00 O ATOM 1336 CG2 THR A 364 1.798 8.790 -11.600 1.00 0.00 C ATOM 0 H THR A 364 0.536 7.662 -8.992 1.00 0.00 H new ATOM 0 HA THR A 364 2.761 9.416 -8.369 1.00 0.00 H new ATOM 0 HB THR A 364 3.503 8.228 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.900 10.235 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.339 8.752 -12.545 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.286 7.842 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.065 9.596 -11.633 1.00 0.00 H new ATOM 1344 N THR A 365 1.246 11.399 -9.144 1.00 0.00 N ATOM 1345 CA THR A 365 0.286 12.495 -9.161 1.00 0.00 C ATOM 1346 C THR A 365 -0.327 12.698 -10.552 1.00 0.00 C ATOM 1347 O THR A 365 -1.282 13.457 -10.709 1.00 0.00 O ATOM 1348 CB THR A 365 1.009 13.763 -8.702 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.118 14.854 -8.640 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.147 14.087 -9.668 1.00 0.00 C ATOM 0 H THR A 365 2.217 11.711 -9.115 1.00 0.00 H new ATOM 0 HA THR A 365 -0.539 12.259 -8.489 1.00 0.00 H new ATOM 0 HB THR A 365 1.412 13.587 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.666 14.669 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.659 14.991 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.853 13.257 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.742 14.245 -10.668 1.00 0.00 H new